A0A077ZFN7_TRITR Loading...

ABC tran and Metalloenzyme and BPD transp 2 domai n containing protein

AlphaFold DB , UniProt , Accession A0A077ZFN7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,369 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M93.6Very high87.9Confident25 Ų2571.5 Ų71.512%0.12338%0.38CS..  0132.10-59.1176.210100109.1I4 L19 L40 M41 V43 L44 E54 I55M1-I4 HydrophobicContact CB-CD1 4.4Å; M1-I4 HydrophobicContact CB-CG1 3.8Å; M1-I4 HydrophobicContact CE-CG1 4.23Å; M1-L19 HydrophobicContact CB-CB 4.36Å; M1-L19 PolarHBondContact N-O 3.41Å; M1-L19 PolarHBondContact O-N 3.24Å; M1-L19 HydrophobicContact SD-CD2 4.28Å; M1-L40 HydrophobicContact CE-CD1 4.07Å; M1-L40 HydrophobicContact CE-CG 4.33Å; M1-L40 HydrophobicContact SD-CD1 4.27Å; M1-L40 HydrophobicContact SD-CG 4.24Å; M1-M41 HydrophobicContact SD-CE 4.19Å; M1-V43 HydrophobicContact CE-CB 4.38Å; M1-V43 HydrophobicContact CE-CG1 3.93Å; M1-L44 HydrophobicContact CE-CB 3.76Å; M1-L44 HydrophobicContact CE-CD1 4.14Å; M1-L44 HydrophobicContact CE-CG 4.44Å; M1-L44 HydrophobicContact CG-CD1 4.28Å; M1-L44 HydrophobicContact SD-CB 4.19Å; M1-L44 HydrophobicContact SD-CD1 4.14Å; M1-L44 HydrophobicContact SD-CD2 4.26Å; M1-L44 HydrophobicContact SD-CG 4.43Å; M1-E54 CarbonylContact C-O 3.57Å; M1-E54 WeakPolarHBondContact CA-O 3.48Å; M1-I55 HydrophobicContact CE-CD1 4.01Å; M1-I55 HydrophobicContact CE-CG1 4.27Å; M1-I55 HydrophobicContact CG-CG1 4.36Å; M1-I55 HydrophobicContact CG-CG2 4.39Å
2R92.5Very high87.6Confident123 Ų12372.8 Ų72.846%0.46438%0.379SS..EExtended strand (participates in β ladder)trans-126.6139.8178.3-66.2165.6178.6162.21.4111.5I4 N18 G53 E54 L56R2-I4 PolarHBondContact O-N 3.19Å; R2-N18 VanDerWaalsContact CA-OD1 3.24Å; R2-N18 WeakPolarHBondContact CA-OD1 3.29Å; R2-G53 WeakPolarHBondContact O-CA 3.44Å; R2-E54 HydrophobicContact CB-CG 3.9Å; R2-E54 WeakPolarHBondContact CD-OE1 3.24Å; R2-E54 IonicContact CZ-OE1 3.58Å; R2-E54 PolarHBondContact N-O 3.01Å; R2-E54 IonicContact NE-OE1 2.7Å; R2-E54 IonicContact NH1-OE1 3.17Å; R2-E54 PolarHBondContact NH1-OE1 3.2Å; R2-E54 PolarHBondContact O-N 2.81Å; R2-L56 HydrophobicContact CG-CD1 4.22Å
3N93.5Very high87.5Confident76 Ų7667.9 Ų67.941%0.40636%0.356SS..EExtended strand (participates in β ladder)trans49.831.5172.5-61.4-21.1000114.9T5 N16 I17 N18 G53N3-T5 PolarHBondContact O-N 2.8Å; N3-N16 WeakPolarHBondContact CA-OD1 3.42Å; N3-N16 WeakPolarHBondContact CB-OD1 2.97Å; N3-N16 VanDerWaalsContact CG-OD1 3.27Å; N3-N16 PolarHBondContact OD1-OD1 3.47Å; N3-I17 CarbonylContact C-O 3.52Å; N3-I17 PolarHBondContact N-O 3.02Å; N3-I17 VanDerWaalsContact N-O 3.14Å; N3-N18 PolarHBondContact N-ND2 3.12Å; N3-N18 PolarHBondContact N-OD1 2.93Å; N3-N18 VanDerWaalsContact N-OD1 3.08Å; N3-N18 PolarHBondContact OD1-ND2 3.23Å; N3-N18 PolarHBondContact OD1-OD1 3.23Å; N3-G53 WeakPolarHBondContact O-CA 3.44Å
4I94.3Very high87.9Confident0 Ų063.1 Ų63.10%033%0.331CS..EExtended strand (participates in β ladder)trans-68.4120.9-175.2-58.7-63.2000110M1 R2 N16 I17 L40 V43 P50 S52 I55M1-I4 HydrophobicContact CB-CD1 4.4Å; M1-I4 HydrophobicContact CB-CG1 3.8Å; M1-I4 HydrophobicContact CE-CG1 4.23Å; R2-I4 PolarHBondContact O-N 3.19Å; I4-N16 PolarHBondContact O-N 2.87Å; I4-I17 PolarHBondContact N-O 3.38Å; I4-I17 PolarHBondContact O-N 3.25Å; I4-L40 HydrophobicContact CB-CD1 3.98Å; I4-L40 HydrophobicContact CG1-CD1 4.46Å; I4-L40 HydrophobicContact CG2-CD1 3.71Å; I4-V43 HydrophobicContact CG2-CG1 4.09Å; I4-P50 HydrophobicContact CG2-CB 4.48Å; I4-S52 WeakPolarHBondContact CA-O 3.35Å; I4-I55 HydrophobicContact CD1-CG1 4.08Å
5T94.2Very high88.1Confident12 Ų1261.8 Ų61.87%0.07433%0.325CS..EExtended strand (participates in β ladder)trans-120.3133.8174.5-57.60000108.6N3 K12 N14 N16 T51 S52N3-T5 PolarHBondContact O-N 2.8Å; T5-K12 HydrophobicContact CG2-CD 4.41Å; T5-N14 CarbonylContact C-O 3.57Å; T5-N14 WeakPolarHBondContact CA-O 3.24Å; T5-N14 WeakPolarHBondContact CG2-O 3.13Å; T5-N16 PolarHBondContact OG1-N 3.12Å; T5-N16 VanDerWaalsContact OG1-N 3.08Å; T5-T51 WeakPolarHBondContact O-CA 3.41Å; T5-T51 WeakPolarHBondContact O-CB 3.24Å; T5-T51 PolarHBondContact O-N 2.86Å; T5-S52 WeakPolarHBondContact CB-OG 3.02Å; T5-S52 PolarHBondContact N-O 3.5Å; T5-S52 PolarHBondContact O-N 2.74Å; T5-S52 PolarHBondContact OG1-OG 2.83Å
6K92.3Very high88.3Confident27 Ų2763.3 Ų63.312%0.11733%0.333CS..EExtended strand (participates in β ladder)trans-129.8113.6173.7-178.157.3177178.50109.5F8 A13 N14 T39 Q49K6-F8 HydrophobicContact CD-CE2 4.42Å; K6-F8 HydrophobicContact CD-CZ 4.37Å; K6-F8 VanDerWaalsContact CE-CZ 3.45Å; K6-F8 HydrophobicContact CG-CD2 4.42Å; K6-F8 HydrophobicContact CG-CE2 3.75Å; K6-F8 HydrophobicContact CG-CZ 4.08Å; K6-A13 PolarHBondContact O-N 3.14Å; K6-N14 HydrophobicContact CB-CB 4.12Å; K6-N14 PolarHBondContact N-O 3.19Å; K6-N14 PolarHBondContact O-N 2.81Å; K6-N14 VanDerWaalsContact O-N 3.17Å; K6-T39 HydrophobicContact CB-CG2 4.35Å; K6-T39 HydrophobicContact CG-CG2 3.91Å; K6-Q49 WeakPolarHBondContact CD-O 3.15Å; K6-Q49 WeakPolarHBondContact CE-O 3.36Å; K6-Q49 PolarHBondContact NZ-O 3.08Å
7Q86.3Confident88.6Confident77 Ų7759.6 Ų59.636%0.3631%0.314SS..EExtended strand (participates in β ladder)trans-116.1137.1-177.2-170.1174.5-40.700110.7G9 F11 K12 T51Q7-G9 WeakPolarHBondContact CG-O 3.43Å; Q7-G9 PolarHBondContact NE2-O 2.86Å; Q7-F11 CarbonylContact C-O 3.59Å; Q7-F11 WeakPolarHBondContact CA-O 3.47Å; Q7-F11 WeakPolarHBondContact CG-O 3.36Å; Q7-K12 HydrophobicContact CB-CG 4.41Å; Q7-K12 HydrophobicContact CG-CG 4.16Å; Q7-T51 HydrophobicContact CB-CG2 4.19Å; Q7-T51 PolarHBondContact N-OG1 2.9Å
8F81.4Confident88.8Confident99 Ų9959.2 Ų59.243%0.43431%0.311SS..EExtended strand (participates in β ladder)trans-120.3104.5174.5-64.1-85.2000108.1K6 T10 F11 A13 T39 L48K6-F8 HydrophobicContact CD-CE2 4.42Å; K6-F8 HydrophobicContact CD-CZ 4.37Å; K6-F8 VanDerWaalsContact CE-CZ 3.45Å; K6-F8 HydrophobicContact CG-CD2 4.42Å; K6-F8 HydrophobicContact CG-CE2 3.75Å; K6-F8 HydrophobicContact CG-CZ 4.08Å; F8-T10 PolarHBondContact O-N 3.35Å; F8-T10 VanDerWaalsContact O-N 3.14Å; F8-F11 PolarHBondContact N-O 3.02Å; F8-F11 PolarHBondContact O-N 3.29Å; F8-A13 HydrophobicContact CD2-CB 3.94Å; F8-A13 HydrophobicContact CE2-CB 3.89Å; F8-T39 HydrophobicContact CE2-CG2 4.01Å; F8-T39 HydrophobicContact CZ-CG2 4.47Å; F8-L48 HydrophobicContact CE1-CD2 4.31Å; F8-L48 HydrophobicContact CZ-CD1 3.96Å; F8-L48 HydrophobicContact CZ-CD2 4.11Å
9G82Confident89.1Confident71 Ų7156.5 Ų56.573%0.73230%0.297SS*.THydrogen-bonded Turntrans61.1-115.1-171.200000111.3Q7Q7-G9 WeakPolarHBondContact CG-O 3.43Å; Q7-G9 PolarHBondContact NE2-O 2.86Å
10T76.2Confident89.3Confident143 Ų14360.3 Ų60.388%0.87731%0.313SS*.THydrogen-bonded Turntrans-94.4-11.9174.350.30000114F8F8-T10 PolarHBondContact O-N 3.35Å; F8-T10 VanDerWaalsContact O-N 3.14Å
11F80.5Confident89.5Confident134 Ų13459.8 Ų59.859%0.58831%0.311SS*.EExtended strand (participates in β ladder)trans-89.6123.9-176.7177.6-106.8000111.4Q7 F8 A13Q7-F11 CarbonylContact C-O 3.59Å; Q7-F11 WeakPolarHBondContact CA-O 3.47Å; Q7-F11 WeakPolarHBondContact CG-O 3.36Å; F8-F11 PolarHBondContact N-O 3.02Å; F8-F11 PolarHBondContact O-N 3.29Å; F11-A13 HydrophobicContact CD1-CB 4.3Å; F11-A13 HydrophobicContact CE1-CB 3.85Å
12K84.5Confident89.5Confident86 Ų8664.4 Ų64.437%0.37433%0.327SS..EExtended strand (participates in β ladder)trans-89113169.6-64.1-171.3-174.7-179.80109.7T5 Q7 D15T5-K12 HydrophobicContact CG2-CD 4.41Å; Q7-K12 HydrophobicContact CB-CG 4.41Å; Q7-K12 HydrophobicContact CG-CG 4.16Å; K12-D15 HydrophobicContact CB-CB 4.34Å; K12-D15 HydrophobicContact CD-CB 3.75Å; K12-D15 WeakPolarHBondContact CD-OD1 3.24Å; K12-D15 VanDerWaalsContact CD-OD2 3.24Å; K12-D15 WeakPolarHBondContact CD-OD2 3.49Å; K12-D15 IonicContact NZ-OD1 3.29Å; K12-D15 PolarHBondContact NZ-OD1 3.47Å; K12-D15 IonicContact NZ-OD2 2.81Å; K12-D15 PolarHBondContact NZ-OD2 3.11Å
13A86.7Confident89.4Confident10 Ų1066.9 Ų66.98%0.08334%0.341CS..EExtended strand (participates in β ladder)trans-82.4-30.517300000111.8K6 F8 F11 T39 G210K6-A13 PolarHBondContact O-N 3.14Å; F8-A13 HydrophobicContact CD2-CB 3.94Å; F8-A13 HydrophobicContact CE2-CB 3.89Å; F11-A13 HydrophobicContact CD1-CB 4.3Å; F11-A13 HydrophobicContact CE1-CB 3.85Å; A13-T39 HydrophobicContact CB-CG2 3.87Å; A13-G210 VanDerWaalsContact O-CA 3.24Å; A13-G210 WeakPolarHBondContact O-CA 3.47Å
14N92Very high89.3Confident0 Ų064.8 Ų64.80%034%0.337CS..EExtended strand (participates in β ladder)trans-130.9137165-54.2116.1000108.6T5 K6 I17 G36 T39 L40 G210T5-N14 CarbonylContact C-O 3.57Å; T5-N14 WeakPolarHBondContact CA-O 3.24Å; T5-N14 WeakPolarHBondContact CG2-O 3.13Å; K6-N14 HydrophobicContact CB-CB 4.12Å; K6-N14 PolarHBondContact N-O 3.19Å; K6-N14 PolarHBondContact O-N 2.81Å; K6-N14 VanDerWaalsContact O-N 3.17Å; N14-I17 HydrophobicContact CB-CD1 3.73Å; N14-I17 HydrophobicContact CB-CG1 4.14Å; N14-I17 VanDerWaalsContact ND2-CD1 3.31Å; N14-I17 WeakPolarHBondContact ND2-CD1 3.5Å; N14-G36 PolarHBondContact ND2-O 3.33Å; N14-T39 WeakPolarHBondContact OD1-CB 3.45Å; N14-T39 VanDerWaalsContact OD1-CG2 3.3Å; N14-T39 WeakPolarHBondContact OD1-CG2 3.42Å; N14-L40 PolarHBondContact OD1-N 2.92Å; N14-G210 CarbonylContact C-O 3.56Å; N14-G210 WeakPolarHBondContact CA-O 3.12Å
15D91.7Very high89.3Confident44 Ų4465.2 Ų65.224%0.23534%0.339CS..EExtended strand (participates in β ladder)trans-130110.8177.7-163.39.7000110.3K12 I17 G210 Q211K12-D15 HydrophobicContact CB-CB 4.34Å; K12-D15 HydrophobicContact CD-CB 3.75Å; K12-D15 WeakPolarHBondContact CD-OD1 3.24Å; K12-D15 VanDerWaalsContact CD-OD2 3.24Å; K12-D15 WeakPolarHBondContact CD-OD2 3.49Å; K12-D15 IonicContact NZ-OD1 3.29Å; K12-D15 PolarHBondContact NZ-OD1 3.47Å; K12-D15 IonicContact NZ-OD2 2.81Å; K12-D15 PolarHBondContact NZ-OD2 3.11Å; D15-I17 VanDerWaalsContact C-N 3.3Å; D15-I17 PolarHBondContact O-N 2.65Å; D15-G210 PolarHBondContact N-O 3.16Å; D15-Q211 HydrophobicContact CB-CG 4.36Å
16N91.5Very high89.4Confident86 Ų8665 Ų6546%0.4634%0.338SS..EExtended strand (participates in β ladder)trans51.438.1176.6-160.453.4000115.8N3 I4 T5 N18N3-N16 WeakPolarHBondContact CA-OD1 3.42Å; N3-N16 WeakPolarHBondContact CB-OD1 2.97Å; N3-N16 VanDerWaalsContact CG-OD1 3.27Å; N3-N16 PolarHBondContact OD1-OD1 3.47Å; I4-N16 PolarHBondContact O-N 2.87Å; T5-N16 PolarHBondContact OG1-N 3.12Å; T5-N16 VanDerWaalsContact OG1-N 3.08Å; N16-N18 PolarHBondContact O-ND2 2.86Å; N16-N18 VanDerWaalsContact O-ND2 3.16Å
17I93.3Very high89.6Confident1 Ų163.8 Ų63.81%0.00533%0.332CS..EExtended strand (participates in β ladder)trans-71.9135.5-177.7-59.4-170.6000111.3N3 I4 N14 D15 L40 I207 G210N3-I17 CarbonylContact C-O 3.52Å; N3-I17 PolarHBondContact N-O 3.02Å; N3-I17 VanDerWaalsContact N-O 3.14Å; I4-I17 PolarHBondContact N-O 3.38Å; I4-I17 PolarHBondContact O-N 3.25Å; N14-I17 HydrophobicContact CB-CD1 3.73Å; N14-I17 HydrophobicContact CB-CG1 4.14Å; N14-I17 VanDerWaalsContact ND2-CD1 3.31Å; N14-I17 WeakPolarHBondContact ND2-CD1 3.5Å; D15-I17 VanDerWaalsContact C-N 3.3Å; D15-I17 PolarHBondContact O-N 2.65Å; I17-L40 HydrophobicContact CB-CD1 4.26Å; I17-L40 HydrophobicContact CG2-CD1 4.13Å; I17-L40 HydrophobicContact CG2-CD2 3.77Å; I17-I207 HydrophobicContact CD1-CD1 3.9Å; I17-I207 HydrophobicContact CD1-CG1 4.3Å; I17-I207 HydrophobicContact CD1-CG2 3.9Å; I17-I207 HydrophobicContact CG2-CD1 4.48Å; I17-G210 WeakPolarHBondContact CD1-O 3.46Å; I17-G210 WeakPolarHBondContact CG1-O 3.09Å
18N92.8Very high90Very high51 Ų5160.1 Ų60.127%0.27332%0.315SS..  trans-116.5132.8172.8-75.8-89.2000109.1R2 N3 N16 Y212R2-N18 VanDerWaalsContact CA-OD1 3.24Å; R2-N18 WeakPolarHBondContact CA-OD1 3.29Å; N3-N18 PolarHBondContact N-ND2 3.12Å; N3-N18 PolarHBondContact N-OD1 2.93Å; N3-N18 VanDerWaalsContact N-OD1 3.08Å; N3-N18 PolarHBondContact OD1-ND2 3.23Å; N3-N18 PolarHBondContact OD1-OD1 3.23Å; N16-N18 PolarHBondContact O-ND2 2.86Å; N16-N18 VanDerWaalsContact O-ND2 3.16Å; N18-Y212 VanDerWaalsContact O-CD2 3.23Å; N18-Y212 WeakPolarHBondContact O-CD2 3.36Å; N18-Y212 WeakPolarHBondContact O-CE2 3.35Å
19L94.1Very high90.6Very high8 Ų855.4 Ų55.44%0.04230%0.295CS..  trans-145.7126.4-178.5179.762.6000110M1 I21 H27 L29 L40 M41 S205M1-L19 HydrophobicContact CB-CB 4.36Å; M1-L19 PolarHBondContact N-O 3.41Å; M1-L19 PolarHBondContact O-N 3.24Å; M1-L19 HydrophobicContact SD-CD2 4.28Å; L19-I21 HydrophobicContact CD1-CD1 3.87Å; L19-I21 HydrophobicContact CD2-CD1 4.19Å; L19-I21 HydrophobicContact CG-CD1 3.87Å; L19-H27 WeakPolarHBondContact CD1-NE2 3.34Å; L19-L29 HydrophobicContact CD1-CD1 4.27Å; L19-L29 HydrophobicContact CD2-CD1 4.28Å; L19-L40 HydrophobicContact CD2-CD2 3.87Å; L19-M41 HydrophobicContact CD2-CE 3.67Å; L19-S205 WeakPolarHBondContact CD1-OG 3.22Å
20Q93.6Very high91Very high133 Ų13352 Ų5262%0.62126%0.26SS*.  trans-126.6118.1179-179.6-173.97.600109.8R203Q20-R203 PolarHBondContact O-NH1 3.31Å
21I93.2Very high91.3Very high50 Ų5045.2 Ų45.226%0.25622%0.218SC..PPolyproline II helixtrans-103.7138.7173.8-41.8-59.3000107.4L19 H27 I188L19-I21 HydrophobicContact CD1-CD1 3.87Å; L19-I21 HydrophobicContact CD2-CD1 4.19Å; L19-I21 HydrophobicContact CG-CD1 3.87Å; I21-H27 HydrophobicContact CD1-CB 3.8Å; I21-H27 HydrophobicContact CG2-CB 4.36Å; I21-I188 HydrophobicContact CD1-CD1 3.9Å; I21-I188 HydrophobicContact CD1-CG1 3.93Å; I21-I188 HydrophobicContact CG1-CD1 3.71Å; I21-I188 HydrophobicContact CG1-CG1 4.02Å; I21-I188 HydrophobicContact CG2-CG1 4.32Å
22R93Very high90.9Very high122 Ų12241.2 Ų41.246%0.4620%0.201SC..PPolyproline II helixtrans-96.1161.3170.6-52.4-178.9-166.6132.5-8.4110.5G24 E25 R203R22-G24 PolarHBondContact O-N 2.96Å; R22-E25 VanDerWaalsContact CB-CD 3.45Å; R22-E25 HydrophobicContact CB-CG 3.98Å; R22-E25 WeakPolarHBondContact CB-OE2 3.16Å; R22-E25 WeakPolarHBondContact CD-OE2 3.33Å; R22-E25 WeakPolarHBondContact CG-OE1 3.4Å; R22-E25 VanDerWaalsContact CG-OE2 3.29Å; R22-E25 WeakPolarHBondContact CG-OE2 3.42Å; R22-E25 IonicContact CZ-OE2 3.39Å; R22-E25 PolarHBondContact N-OE1 2.96Å; R22-E25 IonicContact NE-OE2 2.67Å; R22-E25 IonicContact NH1-OE2 2.77Å; R22-E25 PolarHBondContact NH1-OE2 3.29Å; R22-R203 VanDerWaalsContact NH1-CD 3.25Å
23K90.4Very high90.1Very high174 Ų17440.6 Ų40.676%0.75720%0.202SC*.THydrogen-bonded Turntrans-71.7127.2172.6-175.2173.5-179.2174.20109.6G184 S186K23-G184 VanDerWaalsContact CE-O 3.31Å; K23-G184 WeakPolarHBondContact CE-O 3.42Å; K23-S186 WeakPolarHBondContact CA-OG 3.49Å
24G91.7Very high89.4Confident32 Ų3243.8 Ų43.833%0.3324%0.236SC..THydrogen-bonded Turntrans78.525.5177.600000115.1R22 K185 S186R22-G24 PolarHBondContact O-N 2.96Å; G24-K185 WeakPolarHBondContact CA-O 3.39Å; G24-S186 PolarHBondContact N-OG 3.09Å
25E94.7Very high88.9Confident9 Ų943.9 Ų43.94%0.04224%0.237CC..  trans-115153.2169.379.4-175.2-178.700111.3R22 H27 I187 D202 R203R22-E25 VanDerWaalsContact CB-CD 3.45Å; R22-E25 HydrophobicContact CB-CG 3.98Å; R22-E25 WeakPolarHBondContact CB-OE2 3.16Å; R22-E25 WeakPolarHBondContact CD-OE2 3.33Å; R22-E25 WeakPolarHBondContact CG-OE1 3.4Å; R22-E25 VanDerWaalsContact CG-OE2 3.29Å; R22-E25 WeakPolarHBondContact CG-OE2 3.42Å; R22-E25 IonicContact CZ-OE2 3.39Å; R22-E25 PolarHBondContact N-OE1 2.96Å; R22-E25 IonicContact NE-OE2 2.67Å; R22-E25 IonicContact NH1-OE2 2.77Å; R22-E25 PolarHBondContact NH1-OE2 3.29Å; E25-H27 HydrophobicContact CG-CB 4.36Å; E25-H27 IonicContact OE1-ND1 2.73Å; E25-I187 PolarHBondContact O-N 2.76Å; E25-I187 VanDerWaalsContact O-N 3.1Å; E25-D202 WeakPolarHBondContact CA-OD2 3.16Å; E25-D202 HydrophobicContact CB-CB 4.36Å; E25-D202 WeakPolarHBondContact CB-OD2 3.17Å; E25-R203 IonicContact OE1-CZ 2.65Å; E25-R203 IonicContact OE1-NH1 3.02Å; E25-R203 PolarHBondContact OE1-NH1 3.3Å; E25-R203 WeakPolarHBondContact OE2-CD 3.27Å; E25-R203 IonicContact OE2-NH1 3.12Å
26I95.6Very high88.6Confident9 Ų942 Ų425%0.04623%0.228CC..EExtended strand (participates in β ladder)trans-95.3108165.8-55.5-173.7000107.6M177 I181 I187 V200 A201 D202I26-M177 HydrophobicContact CD1-CB 4.23Å; I26-I181 HydrophobicContact CD1-CG1 3.96Å; I26-I181 HydrophobicContact CG1-CD1 3.84Å; I26-I181 HydrophobicContact CG1-CG1 3.59Å; I26-I187 HydrophobicContact CD1-CD1 4.49Å; I26-I187 HydrophobicContact CG1-CB 4.24Å; I26-I187 HydrophobicContact CG1-CD1 4.45Å; I26-I187 HydrophobicContact CG2-CB 4.37Å; I26-I187 HydrophobicContact CG2-CG2 4.14Å; I26-V200 WeakPolarHBondContact CB-O 3.24Å; I26-V200 HydrophobicContact CD1-CB 4.28Å; I26-V200 HydrophobicContact CG2-CG2 4.2Å; I26-A201 HydrophobicContact CG2-CB 4.34Å; I26-A201 CarbonylContact O-C 3.6Å; I26-A201 WeakPolarHBondContact O-CA 3.37Å; I26-D202 PolarHBondContact N-OD2 2.89Å; I26-D202 PolarHBondContact O-N 3.34Å
27H97.1Very high88.5Confident0 Ų038.5 Ų38.50%021%0.208CC..EExtended strand (participates in β ladder)trans-108.1113.1-177.2-171.4105.4000111.2L19 I21 E25 I187 I188 L189 R203 S205L19-H27 WeakPolarHBondContact CD1-NE2 3.34Å; I21-H27 HydrophobicContact CD1-CB 3.8Å; I21-H27 HydrophobicContact CG2-CB 4.36Å; E25-H27 HydrophobicContact CG-CB 4.36Å; E25-H27 IonicContact OE1-ND1 2.73Å; H27-I187 PolarHBondContact N-O 2.75Å; H27-I188 WeakPolarHBondContact O-CA 3.17Å; H27-L189 PolarHBondContact O-N 3.2Å; H27-R203 CarbonylContact C-O 3.56Å; H27-R203 WeakPolarHBondContact CA-O 3.41Å; H27-R203 PolarHBondContact ND1-NH1 3.21Å; H27-S205 PolarHBondContact CE1-OG 3.32Å; H27-S205 VanDerWaalsContact CE1-OG 3.27Å; H27-S205 WeakPolarHBondContact NE2-CB 3.26Å; H27-S205 PolarHBondContact NE2-OG 3.34Å
28A94.8Very high88.1Confident0 Ų040.2 Ų40.20%022%0.22CC..EExtended strand (participates in β ladder)trans-78.1143.3177.500000113.3L189 I197 A201 R203 C204 S205A28-L189 CarbonylContact C-O 3.58Å; A28-L189 WeakPolarHBondContact CA-O 3.26Å; A28-I197 HydrophobicContact CB-CB 4.39Å; A28-I197 HydrophobicContact CB-CD1 3.81Å; A28-I197 HydrophobicContact CB-CG1 3.73Å; A28-I197 HydrophobicContact CB-CG2 3.95Å; A28-A201 HydrophobicContact CB-CB 3.66Å; A28-R203 PolarHBondContact N-O 2.57Å; A28-C204 HydrophobicContact CB-CB 4.13Å; A28-C204 CarbonylContact O-C 3.57Å; A28-C204 WeakPolarHBondContact O-CA 3.27Å; A28-S205 PolarHBondContact O-N 3.14Å
29L93.6Very high87.8Confident1 Ų139.2 Ų39.21%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-118.4101.5173.1-163.467.9000109.7L19 K37 L40 M41 L189 I190 T191 I207L19-L29 HydrophobicContact CD1-CD1 4.27Å; L19-L29 HydrophobicContact CD2-CD1 4.28Å; L29-K37 HydrophobicContact CD2-CB 4.25Å; L29-L40 HydrophobicContact CD2-CD2 4.2Å; L29-M41 HydrophobicContact CD2-CE 4.18Å; L29-M41 HydrophobicContact CD2-CG 4.2Å; L29-L189 PolarHBondContact N-O 2.91Å; L29-I190 HydrophobicContact CB-CG1 4.33Å; L29-I190 HydrophobicContact CD2-CD1 4.43Å; L29-I190 HydrophobicContact CD2-CG1 4.31Å; L29-I190 WeakPolarHBondContact O-CG2 3.49Å; L29-T191 PolarHBondContact O-N 3.33Å; L29-I207 HydrophobicContact CD1-CD1 3.64Å; L29-I207 HydrophobicContact CD1-CG1 4.14Å; L29-I207 HydrophobicContact CD2-CD1 4.06Å; L29-I207 HydrophobicContact CG-CD1 3.94Å
30L90Very high87.7Confident0 Ų038.8 Ų38.80%021%0.214CC..EExtended strand (participates in β ladder)trans-107.4150.9-169-17759.4000112T191 L194 I197 C204 S205 V206 I207 L226 M230L30-T191 VanDerWaalsContact CD1-O 3.26Å; L30-T191 WeakPolarHBondContact CD1-O 3.34Å; L30-L194 HydrophobicContact CD1-CD2 4.38Å; L30-L194 HydrophobicContact CD2-CD2 3.86Å; L30-I197 HydrophobicContact CB-CD1 3.82Å; L30-I197 HydrophobicContact CD1-CD1 3.67Å; L30-I197 HydrophobicContact CD2-CD1 3.83Å; L30-I197 HydrophobicContact CG-CD1 3.96Å; L30-C204 WeakPolarHBondContact CB-SG 3.4Å; L30-S205 PolarHBondContact N-O 3.2Å; L30-V206 HydrophobicContact CB-CG2 4.41Å; L30-V206 HydrophobicContact CD2-CG2 4.33Å; L30-V206 CarbonylContact O-C 3.59Å; L30-V206 WeakPolarHBondContact O-CA 3.41Å; L30-I207 PolarHBondContact O-N 2.73Å; L30-L226 HydrophobicContact CD2-CB 3.86Å; L30-L226 HydrophobicContact CD2-CD1 4.5Å; L30-L226 HydrophobicContact CD2-CD2 4.08Å; L30-L226 HydrophobicContact CD2-CG 4.37Å; L30-M230 HydrophobicContact CD1-CE 3.66Å; L30-M230 HydrophobicContact CD1-CG 4.16Å; L30-M230 HydrophobicContact CD1-SD 3.47Å; L30-M230 WeakPolarHBondContact CD1-SD 3.31Å; L30-M230 HydrophobicContact CD2-CG 3.91Å; L30-M230 HydrophobicContact CD2-SD 3.76Å; L30-M230 HydrophobicContact CG-CE 4.23Å; L30-M230 HydrophobicContact CG-CG 3.66Å; L30-M230 HydrophobicContact CG-SD 3.6Å
31G82.3Confident87.7Confident0 Ų032.5 Ų32.50%018%0.184CC..  trans159.7164178.200000113.2K37 I207G31-K37 PolarHBondContact O-NZ 2.67Å; G31-I207 VanDerWaalsContact CA-O 3.24Å; G31-I207 WeakPolarHBondContact CA-O 3.42Å
32E72.2Confident87.6Confident50 Ų5031.1 Ų31.123%0.23418%0.178CC..  trans-56.3159.6175.8-60.4177.8137.700112.7G34 A35E32-G34 PolarHBondContact O-N 2.71Å; E32-A35 HydrophobicContact CB-CB 4.42Å; E32-A35 WeakPolarHBondContact O-CB 3.38Å; E32-A35 PolarHBondContact O-N 2.97Å
33N69Low87.5Confident73 Ų7325.3 Ų25.339%0.3916%0.156SC..THydrogen-bonded Turntrans-64127.2170.9-74.1-18.3000110.1
34G71.5Confident87.6Confident77 Ų7717.5 Ų17.579%0.79412%0.122SC*.THydrogen-bonded Turntrans82.64.4-169.800000115.4E32 G36E32-G34 PolarHBondContact O-N 2.71Å; G34-G36 PolarHBondContact O-N 3.23Å; G34-G36 VanDerWaalsContact O-N 3.11Å
35A80.5Confident87.6Confident2 Ų216.3 Ų16.32%0.01711%0.109CC..SBendtrans-66.4-8.7176.300000114.7E32 K37 I207 G210E32-A35 HydrophobicContact CB-CB 4.42Å; E32-A35 WeakPolarHBondContact O-CB 3.38Å; E32-A35 PolarHBondContact O-N 2.97Å; A35-K37 HydrophobicContact CB-CG 4.4Å; A35-I207 HydrophobicContact CB-CG2 4.5Å; A35-I207 WeakPolarHBondContact CB-O 3.44Å; A35-I207 WeakPolarHBondContact O-CG2 3.43Å; A35-G210 VanDerWaalsContact O-CA 3.26Å; A35-G210 WeakPolarHBondContact O-CA 3.49Å; A35-G210 PolarHBondContact O-N 2.88Å
36G85.4Confident87.3Confident5 Ų516.1 Ų16.15%0.05211%0.109CC..SBendtrans100.711.3178.500000115.2N14 G34 T39 L40N14-G36 PolarHBondContact ND2-O 3.33Å; G34-G36 PolarHBondContact O-N 3.23Å; G34-G36 VanDerWaalsContact O-N 3.11Å; G36-T39 WeakPolarHBondContact O-CB 3.26Å; G36-T39 PolarHBondContact O-N 2.9Å; G36-L40 PolarHBondContact O-N 3.25Å
37K89Confident86.9Confident11 Ų1119.3 Ų19.35%0.04813%0.126CC..Hα-helixtrans-57.5-64.2-175.5-38.6-162.7-58-96.80112.2L29 G31 A35 T39 L40 M41 E160 I190L29-K37 HydrophobicContact CD2-CB 4.25Å; G31-K37 PolarHBondContact O-NZ 2.67Å; A35-K37 HydrophobicContact CB-CG 4.4Å; K37-T39 PolarHBondContact O-N 2.73Å; K37-L40 WeakPolarHBondContact O-CB 3.34Å; K37-L40 PolarHBondContact O-N 2.92Å; K37-M41 PolarHBondContact O-N 2.84Å; K37-M41 VanDerWaalsContact O-N 3.12Å; K37-E160 WeakPolarHBondContact CE-OE1 3.32Å; K37-E160 IonicContact NZ-OE1 2.78Å; K37-E160 PolarHBondContact NZ-OE1 2.96Å; K37-I190 HydrophobicContact CB-CD1 4.4Å; K37-I190 HydrophobicContact CB-CG2 3.6Å; K37-I190 HydrophobicContact CD-CG2 3.84Å; K37-I190 HydrophobicContact CG-CG2 4.32Å
38S84.9Confident86.5Confident37 Ų3720.9 Ų20.926%0.25913%0.134SC..Hα-helixtrans-63.9-25.5176.8-43.50000112.7M41 N42 D159S38-M41 PolarHBondContact O-N 3.27Å; S38-N42 WeakPolarHBondContact O-CB 3.23Å; S38-N42 PolarHBondContact O-N 2.89Å; S38-N42 PolarHBondContact O-ND2 3.31Å; S38-D159 WeakPolarHBondContact CB-OD2 3.35Å; S38-D159 PolarHBondContact OG-OD1 2.93Å; S38-D159 PolarHBondContact OG-OD2 2.81Å
39T87.7Confident86.2Confident30 Ų3024.5 Ų24.518%0.18415%0.151CC..Hα-helixtrans-65.1-40.3172-42.90000111.8K6 F8 A13 N14 G36 K37 V43 L48K6-T39 HydrophobicContact CB-CG2 4.35Å; K6-T39 HydrophobicContact CG-CG2 3.91Å; F8-T39 HydrophobicContact CE2-CG2 4.01Å; F8-T39 HydrophobicContact CZ-CG2 4.47Å; A13-T39 HydrophobicContact CB-CG2 3.87Å; N14-T39 WeakPolarHBondContact OD1-CB 3.45Å; N14-T39 VanDerWaalsContact OD1-CG2 3.3Å; N14-T39 WeakPolarHBondContact OD1-CG2 3.42Å; G36-T39 WeakPolarHBondContact O-CB 3.26Å; G36-T39 PolarHBondContact O-N 2.9Å; K37-T39 PolarHBondContact O-N 2.73Å; T39-V43 WeakPolarHBondContact O-CG2 3.37Å; T39-V43 PolarHBondContact O-N 2.78Å; T39-L48 HydrophobicContact CG2-CD1 3.8Å
40L92.5Very high86.1Confident0 Ų026.6 Ų26.60%017%0.165CC..Hα-helixtrans-69.6-40.4176-173.372.6000111.6M1 I4 N14 I17 L19 L29 G36 K37 V43 L44 I207M1-L40 HydrophobicContact CE-CD1 4.07Å; M1-L40 HydrophobicContact CE-CG 4.33Å; M1-L40 HydrophobicContact SD-CD1 4.27Å; M1-L40 HydrophobicContact SD-CG 4.24Å; I4-L40 HydrophobicContact CB-CD1 3.98Å; I4-L40 HydrophobicContact CG1-CD1 4.46Å; I4-L40 HydrophobicContact CG2-CD1 3.71Å; N14-L40 PolarHBondContact OD1-N 2.92Å; I17-L40 HydrophobicContact CB-CD1 4.26Å; I17-L40 HydrophobicContact CG2-CD1 4.13Å; I17-L40 HydrophobicContact CG2-CD2 3.77Å; L19-L40 HydrophobicContact CD2-CD2 3.87Å; L29-L40 HydrophobicContact CD2-CD2 4.2Å; G36-L40 PolarHBondContact O-N 3.25Å; K37-L40 WeakPolarHBondContact O-CB 3.34Å; K37-L40 PolarHBondContact O-N 2.92Å; L40-V43 WeakPolarHBondContact O-CA 3.49Å; L40-V43 WeakPolarHBondContact O-CB 3.36Å; L40-V43 PolarHBondContact O-N 2.82Å; L40-V43 VanDerWaalsContact O-N 3.14Å; L40-L44 PolarHBondContact O-N 3.27Å; L40-I207 HydrophobicContact CD2-CD1 3.93Å
41M93.5Very high86.1Confident0 Ų030.2 Ų30.20%019%0.187CC..Hα-helixtrans-71.7-33.7177.1-72-5596.900112.9M1 L19 L29 K37 S38 V43 L44 S45 I157 I188 I190M1-M41 HydrophobicContact SD-CE 4.19Å; L19-M41 HydrophobicContact CD2-CE 3.67Å; L29-M41 HydrophobicContact CD2-CE 4.18Å; L29-M41 HydrophobicContact CD2-CG 4.2Å; K37-M41 PolarHBondContact O-N 2.84Å; K37-M41 VanDerWaalsContact O-N 3.12Å; S38-M41 PolarHBondContact O-N 3.27Å; M41-V43 PolarHBondContact O-N 3.39Å; M41-L44 HydrophobicContact CE-CB 4.21Å; M41-L44 HydrophobicContact CE-CD2 3.93Å; M41-L44 CarbonylContact O-C 3.57Å; M41-L44 WeakPolarHBondContact O-CA 3.5Å; M41-L44 PolarHBondContact O-N 2.87Å; M41-L44 HydrophobicContact SD-CB 4.34Å; M41-L44 HydrophobicContact SD-CD2 3.85Å; M41-S45 PolarHBondContact O-N 2.9Å; M41-S45 PolarHBondContact O-OG 2.77Å; M41-I157 HydrophobicContact CB-CD1 4.46Å; M41-I157 HydrophobicContact CB-CG2 3.92Å; M41-I157 HydrophobicContact CG-CG2 3.68Å; M41-I157 HydrophobicContact SD-CD1 3.91Å; M41-I157 HydrophobicContact SD-CG1 4.1Å; M41-I157 HydrophobicContact SD-CG2 3.79Å; M41-I188 HydrophobicContact SD-CB 4.44Å; M41-I188 HydrophobicContact SD-CD1 4.02Å; M41-I188 HydrophobicContact SD-CG2 3.85Å; M41-I190 HydrophobicContact CB-CD1 3.75Å; M41-I190 HydrophobicContact CG-CD1 3.31Å; M41-I190 HydrophobicContact CG-CG1 3.9Å
42N89.3Confident86.6Confident21 Ų2133.1 Ų33.111%0.11221%0.207CC..Hα-helixtrans-62.9-24.8167.8-73.4-12.4000112.6S38 S45 G46 L47 L48S38-N42 WeakPolarHBondContact O-CB 3.23Å; S38-N42 PolarHBondContact O-N 2.89Å; S38-N42 PolarHBondContact O-ND2 3.31Å; N42-S45 WeakPolarHBondContact CA-OG 3.16Å; N42-G46 PolarHBondContact O-N 2.85Å; N42-L47 HydrophobicContact CB-CB 4.04Å; N42-L47 CarbonylContact O-C 3.5Å; N42-L47 PolarHBondContact O-N 3.21Å; N42-L47 WeakPolarHBondContact OD1-CD1 3.24Å; N42-L48 HydrophobicContact CB-CB 4.35Å; N42-L48 HydrophobicContact CB-CD1 3.77Å; N42-L48 HydrophobicContact CB-CG 3.93Å; N42-L48 PolarHBondContact O-N 3.16Å
43V92.2Very high87.5Confident1 Ų132.7 Ų32.71%0.00622%0.216CC..Hα-helixtrans-75.2-36.2168.5168.80000112M1 I4 T39 L40 M41 G46 L48 P50 I55M1-V43 HydrophobicContact CE-CB 4.38Å; M1-V43 HydrophobicContact CE-CG1 3.93Å; I4-V43 HydrophobicContact CG2-CG1 4.09Å; T39-V43 WeakPolarHBondContact O-CG2 3.37Å; T39-V43 PolarHBondContact O-N 2.78Å; L40-V43 WeakPolarHBondContact O-CA 3.49Å; L40-V43 WeakPolarHBondContact O-CB 3.36Å; L40-V43 PolarHBondContact O-N 2.82Å; L40-V43 VanDerWaalsContact O-N 3.14Å; M41-V43 PolarHBondContact O-N 3.39Å; V43-G46 PolarHBondContact O-N 2.67Å; V43-L48 WeakPolarHBondContact CA-O 3.41Å; V43-L48 HydrophobicContact CG2-CB 3.85Å; V43-P50 HydrophobicContact CG1-CB 4Å; V43-P50 HydrophobicContact CG1-CG 4.31Å; V43-I55 HydrophobicContact CG1-CD1 4.23Å
44L92.7Very high88.7Confident10 Ų1033 Ų335%0.05222%0.215CC..Hα-helixtrans-73.9-34.2177.4-171.157.7000113.1M1 L40 M41 G46 I55 I64 I75 I157 I188M1-L44 HydrophobicContact CE-CB 3.76Å; M1-L44 HydrophobicContact CE-CD1 4.14Å; M1-L44 HydrophobicContact CE-CG 4.44Å; M1-L44 HydrophobicContact CG-CD1 4.28Å; M1-L44 HydrophobicContact SD-CB 4.19Å; M1-L44 HydrophobicContact SD-CD1 4.14Å; M1-L44 HydrophobicContact SD-CD2 4.26Å; M1-L44 HydrophobicContact SD-CG 4.43Å; L40-L44 PolarHBondContact O-N 3.27Å; M41-L44 HydrophobicContact CE-CB 4.21Å; M41-L44 HydrophobicContact CE-CD2 3.93Å; M41-L44 CarbonylContact O-C 3.57Å; M41-L44 WeakPolarHBondContact O-CA 3.5Å; M41-L44 PolarHBondContact O-N 2.87Å; M41-L44 HydrophobicContact SD-CB 4.34Å; M41-L44 HydrophobicContact SD-CD2 3.85Å; L44-G46 VanDerWaalsContact C-N 3.28Å; L44-I55 HydrophobicContact CD1-CG2 4.12Å; L44-I64 HydrophobicContact CD1-CD1 4.23Å; L44-I64 WeakPolarHBondContact O-CD1 3.18Å; L44-I75 HydrophobicContact CD1-CD1 4.08Å; L44-I75 HydrophobicContact CG-CG2 4.3Å; L44-I157 HydrophobicContact CB-CD1 4.12Å; L44-I157 HydrophobicContact CD2-CD1 3.92Å; L44-I157 HydrophobicContact CD2-CG1 4.42Å; L44-I157 HydrophobicContact CG-CD1 4.04Å; L44-I188 HydrophobicContact CD2-CD1 3.49Å; L44-I188 VanDerWaalsContact CD2-CD1 3.49Å
45S90.6Very high89.7Confident7 Ų729.9 Ų29.95%0.04918%0.181CC..THydrogen-bonded Turntrans-83.92.617467.50000113.5M41 N42 L47 P67M41-S45 PolarHBondContact O-N 2.9Å; M41-S45 PolarHBondContact O-OG 2.77Å; N42-S45 WeakPolarHBondContact CA-OG 3.16Å; S45-L47 PolarHBondContact O-N 2.86Å; S45-P67 WeakPolarHBondContact O-CA 3.28Å
46G88.9Confident90.3Very high5 Ų531.4 Ų31.45%0.05219%0.188CC..THydrogen-bonded Turntrans71.26.217700000115.8N42 V43 L44 L48 I64N42-G46 PolarHBondContact O-N 2.85Å; V43-G46 PolarHBondContact O-N 2.67Å; L44-G46 VanDerWaalsContact C-N 3.28Å; G46-L48 PolarHBondContact O-N 3.3Å; G46-I64 WeakPolarHBondContact CA-O 3.37Å
47L87Confident90.5Very high76 Ų7633.4 Ų33.440%0.39820%0.197SC..SBendtrans-65.3-27.3170.9-73.2170.5000112.3N42 S45 P67N42-L47 HydrophobicContact CB-CB 4.04Å; N42-L47 CarbonylContact O-C 3.5Å; N42-L47 PolarHBondContact O-N 3.21Å; N42-L47 WeakPolarHBondContact OD1-CD1 3.24Å; S45-L47 PolarHBondContact O-N 2.86Å; L47-P67 HydrophobicContact CD2-CG 3.58Å; L47-P67 HydrophobicContact CG-CG 3.91Å
48L88.7Confident90.4Very high33 Ų3340.7 Ų40.717%0.17324%0.236CC..SBendtrans-129130175.7-69.6176.8000110.6F8 T39 N42 V43 G46F8-L48 HydrophobicContact CE1-CD2 4.31Å; F8-L48 HydrophobicContact CZ-CD1 3.96Å; F8-L48 HydrophobicContact CZ-CD2 4.11Å; T39-L48 HydrophobicContact CG2-CD1 3.8Å; N42-L48 HydrophobicContact CB-CB 4.35Å; N42-L48 HydrophobicContact CB-CD1 3.77Å; N42-L48 HydrophobicContact CB-CG 3.93Å; N42-L48 PolarHBondContact O-N 3.16Å; V43-L48 WeakPolarHBondContact CA-O 3.41Å; V43-L48 HydrophobicContact CG2-CB 3.85Å; G46-L48 PolarHBondContact O-N 3.3Å
49Q88.5Confident90.5Very high75 Ų7541.7 Ų41.735%0.3525%0.252SS..  trans-75.5136.7168.2-65.1-53.6-61.900111K6 I64 S65K6-Q49 WeakPolarHBondContact CD-O 3.15Å; K6-Q49 WeakPolarHBondContact CE-O 3.36Å; K6-Q49 PolarHBondContact NZ-O 3.08Å; Q49-I64 PolarHBondContact NE2-O 3.08Å; Q49-S65 PolarHBondContact NE2-O 2.97Å
50P91.1Very high90.6Very high46 Ų4646.7 Ų46.730%0.29927%0.274SS..  trans-64.9153.4174.728.3-33.1000110.8I4 V43I4-P50 HydrophobicContact CG2-CB 4.48Å; V43-P50 HydrophobicContact CG1-CB 4Å; V43-P50 HydrophobicContact CG1-CG 4.31Å
51T91.3Very high90.5Very high75 Ų7550.9 Ų50.946%0.4630%0.301SS..SBendtrans-82.9-33.7170.8-54.70000110.9T5 Q7T5-T51 WeakPolarHBondContact O-CA 3.41Å; T5-T51 WeakPolarHBondContact O-CB 3.24Å; T5-T51 PolarHBondContact O-N 2.86Å; Q7-T51 HydrophobicContact CB-CG2 4.19Å; Q7-T51 PolarHBondContact N-OG1 2.9Å
52S92.5Very high90.5Very high61 Ų6152.6 Ų52.643%0.42731%0.311SS..EExtended strand (participates in β ladder)trans-160.6169.316865.90000111I4 T5I4-S52 WeakPolarHBondContact CA-O 3.35Å; T5-S52 WeakPolarHBondContact CB-OG 3.02Å; T5-S52 PolarHBondContact N-O 3.5Å; T5-S52 PolarHBondContact O-N 2.74Å; T5-S52 PolarHBondContact OG1-OG 2.83Å
53G91.5Very high90.5Very high41 Ų4156.7 Ų56.742%0.42333%0.333SS..EExtended strand (participates in β ladder)trans107.3177.6-17700000112.6R2 N3R2-G53 WeakPolarHBondContact O-CA 3.44Å; N3-G53 WeakPolarHBondContact O-CA 3.44Å
54E92.9Very high90.4Very high79 Ų7956.9 Ų56.937%0.36933%0.334SS..EExtended strand (participates in β ladder)trans-130.8141.8-178.358.7172.4179.700112.6M1 R2 L56M1-E54 CarbonylContact C-O 3.57Å; M1-E54 WeakPolarHBondContact CA-O 3.48Å; R2-E54 HydrophobicContact CB-CG 3.9Å; R2-E54 WeakPolarHBondContact CD-OE1 3.24Å; R2-E54 IonicContact CZ-OE1 3.58Å; R2-E54 PolarHBondContact N-O 3.01Å; R2-E54 IonicContact NE-OE1 2.7Å; R2-E54 IonicContact NH1-OE1 3.17Å; R2-E54 PolarHBondContact NH1-OE1 3.2Å; R2-E54 PolarHBondContact O-N 2.81Å; E54-L56 HydrophobicContact CB-CD1 4.48Å; E54-L56 HydrophobicContact CG-CD1 3.84Å
55I93.7Very high90.2Very high13 Ų1359.7 Ų59.77%0.06736%0.355CS..EExtended strand (participates in β ladder)trans-104.4135.5170-53.8-179.9000107.4M1 I4 V43 L44 P61 V62 I64M1-I55 HydrophobicContact CE-CD1 4.01Å; M1-I55 HydrophobicContact CE-CG1 4.27Å; M1-I55 HydrophobicContact CG-CG1 4.36Å; M1-I55 HydrophobicContact CG-CG2 4.39Å; I4-I55 HydrophobicContact CD1-CG1 4.08Å; V43-I55 HydrophobicContact CG1-CD1 4.23Å; L44-I55 HydrophobicContact CD1-CG2 4.12Å; I55-P61 WeakPolarHBondContact O-CA 3.33Å; I55-V62 HydrophobicContact CB-CG2 4.2Å; I55-V62 HydrophobicContact CG2-CG2 3.85Å; I55-V62 PolarHBondContact O-N 3.06Å; I55-I64 HydrophobicContact CD1-CD1 3.93Å; I55-I64 HydrophobicContact CD1-CG1 4.23Å; I55-I64 HydrophobicContact CG2-CD1 3.94Å
56L93Very high90.1Very high33 Ų3361.2 Ų61.217%0.17337%0.365CS..EExtended strand (participates in β ladder)trans-129.5134.8176.2-52.493000109.1R2 E54 G59 Q60 P61R2-L56 HydrophobicContact CG-CD1 4.22Å; E54-L56 HydrophobicContact CB-CD1 4.48Å; E54-L56 HydrophobicContact CG-CD1 3.84Å; L56-G59 WeakPolarHBondContact CD2-O 3.5Å; L56-Q60 CarbonylContact C-O 3.45Å; L56-Q60 WeakPolarHBondContact CA-O 3.43Å; L56-P61 HydrophobicContact CD2-CG 4.2Å
57M89.7Confident90Very high48 Ų4863.3 Ų63.324%0.23638%0.378CS..EExtended strand (participates in β ladder)trans-117.1130.6172.8-69.8-69.2-76.100107.7G59 Q60 V62 I75 V155M57-G59 PolarHBondContact O-N 2.81Å; M57-Q60 PolarHBondContact N-O 3.48Å; M57-Q60 PolarHBondContact O-N 3.05Å; M57-V62 HydrophobicContact CB-CG1 4.12Å; M57-V62 HydrophobicContact CB-CG2 4.28Å; M57-V62 HydrophobicContact CG-CG1 4.33Å; M57-V62 HydrophobicContact CG-CG2 3.7Å; M57-I75 HydrophobicContact CE-CD1 4.04Å; M57-I75 HydrophobicContact CE-CG1 3.92Å; M57-I75 HydrophobicContact SD-CD1 3.96Å; M57-I75 HydrophobicContact SD-CG1 4.4Å; M57-V155 HydrophobicContact CE-CG2 4.29Å
58D86.6Confident89.9Confident163 Ų16364 Ų6487%0.87239%0.386SS*.THydrogen-bonded Turntrans47.932.1-173.8-59.4-40.1000114.4Q60D58-Q60 VanDerWaalsContact C-N 3.29Å; D58-Q60 PolarHBondContact O-N 3.28Å
59G86Confident89.9Confident58 Ų5865.9 Ų65.960%0.59839%0.392SS*.THydrogen-bonded Turntrans81.8-7.3-177.700000115.7L56 M57L56-G59 WeakPolarHBondContact CD2-O 3.5Å; M57-G59 PolarHBondContact O-N 2.81Å
60Q89.4Confident90.1Very high136 Ų13662.3 Ų62.364%0.63638%0.376SS*.EExtended strand (participates in β ladder)trans-91.4134176.1-60.3-58.9-29.100111.2L56 M57 D58L56-Q60 CarbonylContact C-O 3.45Å; L56-Q60 WeakPolarHBondContact CA-O 3.43Å; M57-Q60 PolarHBondContact N-O 3.48Å; M57-Q60 PolarHBondContact O-N 3.05Å; D58-Q60 VanDerWaalsContact C-N 3.29Å; D58-Q60 PolarHBondContact O-N 3.28Å
61P91.5Very high89.9Confident87 Ų8762.3 Ų62.357%0.56537%0.373SS*.EExtended strand (participates in β ladder)trans-60136.5172.1-23.234.3000112.1I55 L56I55-P61 WeakPolarHBondContact O-CA 3.33Å; L56-P61 HydrophobicContact CD2-CG 4.2Å
62V92.5Very high89.7Confident36 Ų3665.2 Ų65.222%0.21838%0.381CS..EExtended strand (participates in β ladder)trans-131.8142.4177.2-65.70000111.5I55 M57 I64 L73I55-V62 HydrophobicContact CB-CG2 4.2Å; I55-V62 HydrophobicContact CG2-CG2 3.85Å; I55-V62 PolarHBondContact O-N 3.06Å; M57-V62 HydrophobicContact CB-CG1 4.12Å; M57-V62 HydrophobicContact CB-CG2 4.28Å; M57-V62 HydrophobicContact CG-CG1 4.33Å; M57-V62 HydrophobicContact CG-CG2 3.7Å; V62-I64 HydrophobicContact CG2-CD1 4.3Å; V62-I64 HydrophobicContact CG2-CG1 4.17Å; V62-L73 HydrophobicContact CB-CD1 4.17Å; V62-L73 HydrophobicContact CG1-CD2 4.28Å; V62-L73 HydrophobicContact CG2-CD1 4.27Å
63D89.5Confident89.6Confident108 Ų10864.5 Ų64.558%0.57837%0.373SS*.  trans-96.2128167.5177.330.4000109.8
64I91.4Very high89.6Confident5 Ų562.8 Ų62.83%0.02636%0.355CS..  trans-116.368.9-178.5-46.3-172.3000108.4L44 G46 Q49 I55 V62 S66 A70 L73 I75L44-I64 HydrophobicContact CD1-CD1 4.23Å; L44-I64 WeakPolarHBondContact O-CD1 3.18Å; G46-I64 WeakPolarHBondContact CA-O 3.37Å; Q49-I64 PolarHBondContact NE2-O 3.08Å; I55-I64 HydrophobicContact CD1-CD1 3.93Å; I55-I64 HydrophobicContact CD1-CG1 4.23Å; I55-I64 HydrophobicContact CG2-CD1 3.94Å; V62-I64 HydrophobicContact CG2-CD1 4.3Å; V62-I64 HydrophobicContact CG2-CG1 4.17Å; I64-S66 PolarHBondContact O-N 3.46Å; I64-A70 HydrophobicContact CG2-CB 3.82Å; I64-L73 HydrophobicContact CD1-CD1 4.22Å; I64-L73 HydrophobicContact CG1-CD1 3.9Å; I64-I75 HydrophobicContact CD1-CD1 3.67Å
65S87.3Confident89.7Confident69 Ų6959 Ų5948%0.48334%0.337SS..  trans-68.7-10.9-17556.10000115.4Q49Q49-S65 PolarHBondContact NE2-O 2.97Å
66S88.3Confident89.6Confident38 Ų3858.6 Ų58.627%0.26634%0.336SS..SBendtrans-166.3164.3-179.4590000112.9I64 T68 K69 A70I64-S66 PolarHBondContact O-N 3.46Å; S66-T68 VanDerWaalsContact C-N 3.29Å; S66-T68 PolarHBondContact O-N 3.34Å; S66-K69 WeakPolarHBondContact O-CA 3.45Å; S66-K69 WeakPolarHBondContact O-CB 3.48Å; S66-K69 PolarHBondContact O-N 3.39Å; S66-K69 PolarHBondContact OG-N 3.14Å; S66-A70 PolarHBondContact O-N 3.24Å
67P87.4Confident89.5Confident49 Ų4957.7 Ų57.732%0.31833%0.331SS..Hα-helixtrans-60.8-33171.7-24.335.2000114.3S45 L47 K69 A70 N71S45-P67 WeakPolarHBondContact O-CA 3.28Å; L47-P67 HydrophobicContact CD2-CG 3.58Å; L47-P67 HydrophobicContact CG-CG 3.91Å; P67-K69 PolarHBondContact O-N 2.97Å; P67-A70 WeakPolarHBondContact O-CB 3.49Å; P67-A70 PolarHBondContact O-N 2.73Å; P67-N71 VanDerWaalsContact O-CG 3.28Å; P67-N71 PolarHBondContact O-N 3.27Å
68T85.7Confident89.6Confident92 Ų9255.4 Ų55.456%0.56432%0.32SS*.Hα-helixtrans-61.6-34.2171.3-48.30000111.2S66 Q72S66-T68 VanDerWaalsContact C-N 3.29Å; S66-T68 PolarHBondContact O-N 3.34Å; T68-Q72 WeakPolarHBondContact O-CG 3.07Å; T68-Q72 PolarHBondContact O-N 2.89Å; T68-Q72 VanDerWaalsContact O-N 3.16Å
69K88.9Confident89.4Confident71 Ų7149 Ų4931%0.30929%0.285SS..Hα-helixtrans-75.5-35175.2-17052.9174.4171.10112.6S66 P67 Q72 L73S66-K69 WeakPolarHBondContact O-CA 3.45Å; S66-K69 WeakPolarHBondContact O-CB 3.48Å; S66-K69 PolarHBondContact O-N 3.39Å; S66-K69 PolarHBondContact OG-N 3.14Å; P67-K69 PolarHBondContact O-N 2.97Å; K69-Q72 HydrophobicContact CD-CB 4.4Å; K69-Q72 PolarHBondContact O-N 3.19Å; K69-L73 HydrophobicContact CG-CD1 4.42Å; K69-L73 WeakPolarHBondContact O-CG 3.26Å; K69-L73 PolarHBondContact O-N 2.72Å
70A91.3Very high89Confident1 Ų147 Ų471%0.00826%0.259CS..Hα-helixtrans-59.4-50.7170.600000111I64 S66 P67 Q72 L73 G74 I75I64-A70 HydrophobicContact CG2-CB 3.82Å; S66-A70 PolarHBondContact O-N 3.24Å; P67-A70 WeakPolarHBondContact O-CB 3.49Å; P67-A70 PolarHBondContact O-N 2.73Å; A70-Q72 VanDerWaalsContact C-N 3.33Å; A70-Q72 PolarHBondContact O-N 2.92Å; A70-L73 CarbonylContact O-C 3.03Å; A70-L73 WeakPolarHBondContact O-CA 3.13Å; A70-L73 WeakPolarHBondContact O-CB 3.18Å; A70-L73 PolarHBondContact O-N 2.88Å; A70-G74 PolarHBondContact O-N 3.21Å; A70-I75 CarbonylContact C-O 3.58Å; A70-I75 HydrophobicContact CB-CB 4.12Å; A70-I75 HydrophobicContact CB-CG2 4.33Å; A70-I75 PolarHBondContact O-N 2.99Å
71N87.8Confident88.3Confident46 Ų4644.3 Ų44.325%0.24625%0.247CC..Hα-helixtrans-56.4-43.9176.7-66.3-17.2000111.9P67 L73 G74 I75P67-N71 VanDerWaalsContact O-CG 3.28Å; P67-N71 PolarHBondContact O-N 3.27Å; N71-L73 PolarHBondContact O-N 3.19Å; N71-G74 PolarHBondContact O-N 2.75Å; N71-I75 WeakPolarHBondContact CA-O 3.4Å; N71-I75 PolarHBondContact N-O 3.38Å; N71-I75 PolarHBondContact OD1-O 3.22Å
72Q87Confident87.7Confident135 Ų13541.6 Ų41.663%0.63123%0.226SC*.Hα-helixtrans-62-24.9175.2-77.6178.54.500114.4T68 K69 A70 G74T68-Q72 WeakPolarHBondContact O-CG 3.07Å; T68-Q72 PolarHBondContact O-N 2.89Å; T68-Q72 VanDerWaalsContact O-N 3.16Å; K69-Q72 HydrophobicContact CD-CB 4.4Å; K69-Q72 PolarHBondContact O-N 3.19Å; A70-Q72 VanDerWaalsContact C-N 3.33Å; A70-Q72 PolarHBondContact O-N 2.92Å; Q72-G74 VanDerWaalsContact C-N 3.29Å
73L91.1Very high87.3Confident47 Ų4743.6 Ų43.625%0.24623%0.234CC..THydrogen-bonded Turntrans-91.17.2174.7-66.3168.8000112V62 I64 K69 A70 N71 I75V62-L73 HydrophobicContact CB-CD1 4.17Å; V62-L73 HydrophobicContact CG1-CD2 4.28Å; V62-L73 HydrophobicContact CG2-CD1 4.27Å; I64-L73 HydrophobicContact CD1-CD1 4.22Å; I64-L73 HydrophobicContact CG1-CD1 3.9Å; K69-L73 HydrophobicContact CG-CD1 4.42Å; K69-L73 WeakPolarHBondContact O-CG 3.26Å; K69-L73 PolarHBondContact O-N 2.72Å; A70-L73 CarbonylContact O-C 3.03Å; A70-L73 WeakPolarHBondContact O-CA 3.13Å; A70-L73 WeakPolarHBondContact O-CB 3.18Å; A70-L73 PolarHBondContact O-N 2.88Å; N71-L73 PolarHBondContact O-N 3.19Å; L73-I75 VanDerWaalsContact C-N 3.28Å; L73-I75 HydrophobicContact CB-CD1 4.33Å; L73-I75 PolarHBondContact O-N 3.44Å
74G91.5Very high87.3Confident4 Ų439.6 Ų39.64%0.04121%0.212CC..THydrogen-bonded Turntrans7021.9-175.800000113.6A70 N71 Q72 N154 V155A70-G74 PolarHBondContact O-N 3.21Å; N71-G74 PolarHBondContact O-N 2.75Å; Q72-G74 VanDerWaalsContact C-N 3.29Å; G74-N154 PolarHBondContact O-N 3.49Å; G74-V155 PolarHBondContact O-N 3.47Å
75I93.3Very high87.1Confident1 Ų142.1 Ų42.11%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-99118.6172.9-60.1163.2000107.8L44 M57 I64 A70 N71 L73 V155 I157L44-I75 HydrophobicContact CD1-CD1 4.08Å; L44-I75 HydrophobicContact CG-CG2 4.3Å; M57-I75 HydrophobicContact CE-CD1 4.04Å; M57-I75 HydrophobicContact CE-CG1 3.92Å; M57-I75 HydrophobicContact SD-CD1 3.96Å; M57-I75 HydrophobicContact SD-CG1 4.4Å; I64-I75 HydrophobicContact CD1-CD1 3.67Å; A70-I75 CarbonylContact C-O 3.58Å; A70-I75 HydrophobicContact CB-CB 4.12Å; A70-I75 HydrophobicContact CB-CG2 4.33Å; A70-I75 PolarHBondContact O-N 2.99Å; N71-I75 WeakPolarHBondContact CA-O 3.4Å; N71-I75 PolarHBondContact N-O 3.38Å; N71-I75 PolarHBondContact OD1-O 3.22Å; L73-I75 VanDerWaalsContact C-N 3.28Å; L73-I75 HydrophobicContact CB-CD1 4.33Å; L73-I75 PolarHBondContact O-N 3.44Å; I75-V155 HydrophobicContact CG1-CB 4.35Å; I75-I157 HydrophobicContact CG2-CD1 4Å
76G92.6Very high87Confident3 Ų343.6 Ų43.63%0.03123%0.23CC..EExtended strand (participates in β ladder)trans-125.3151174.900000111.4V155 I157G76-V155 PolarHBondContact N-O 3.27Å; G76-I157 PolarHBondContact O-N 2.72Å
77M91.7Very high86.8Confident14 Ų1444.8 Ų44.87%0.06924%0.243CC..EExtended strand (participates in β ladder)trans-118.7124.1-179.2-170.8166.5170.900109.2H79 I157 D159M77-H79 PolarHBondContact O-CD2 3.31Å; M77-H79 VanDerWaalsContact O-CD2 3.28Å; M77-I157 CarbonylContact C-O 3.57Å; M77-I157 WeakPolarHBondContact CA-O 3.21Å; M77-I157 HydrophobicContact CB-CB 4.34Å; M77-I157 HydrophobicContact CG-CB 4.15Å; M77-I157 HydrophobicContact CG-CG2 4.25Å; M77-D159 HydrophobicContact CE-CB 3.94Å
78V90.7Very high87Confident1 Ų146.4 Ų46.41%0.00625%0.245CC..EExtended strand (participates in β ladder)trans-90.7116.5162.8170.70000106.2E144 I145 T148 I157 F158 D159V78-E144 HydrophobicContact CG1-CB 4.06Å; V78-I145 HydrophobicContact CG1-CG1 4.41Å; V78-I145 HydrophobicContact CG2-CG1 4.04Å; V78-T148 HydrophobicContact CG2-CG2 4.37Å; V78-I157 PolarHBondContact N-O 3.1Å; V78-F158 HydrophobicContact CB-CD1 3.88Å; V78-F158 HydrophobicContact CB-CE1 4.14Å; V78-F158 HydrophobicContact CB-CG 4.21Å; V78-F158 HydrophobicContact CG1-CD1 3.7Å; V78-F158 HydrophobicContact CG1-CE1 3.96Å; V78-F158 HydrophobicContact CG1-CG 4.45Å; V78-F158 HydrophobicContact CG2-CD1 4.3Å; V78-F158 HydrophobicContact CG2-CE1 4.06Å; V78-F158 HydrophobicContact CG2-CZ 4.24Å; V78-D159 PolarHBondContact O-N 3.44Å; V78-D159 VanDerWaalsContact O-N 3.13Å
79H83.6Confident87.3Confident29 Ų2942.7 Ų42.713%0.13422%0.222CC..  trans-90.9132.3-179.5-62.6-130.1000108M77 H81 L496 E497M77-H79 PolarHBondContact O-CD2 3.31Å; M77-H79 VanDerWaalsContact O-CD2 3.28Å; H79-H81 VanDerWaalsContact C-N 3.27Å; H79-H81 CarbonylContact C-O 3.59Å; H79-H81 VanDerWaalsContact C-O 3.27Å; H79-H81 VanDerWaalsContact CB-O 3.23Å; H79-H81 WeakPolarHBondContact CB-O 3.32Å; H79-H81 CarbonylContact O-C 2.76Å; H79-H81 PolarHBondContact O-N 3.28Å; H79-L496 HydrophobicContact CB-CD2 4.29Å; H79-E497 IonicContact CE1-OE1 3.68Å; H79-E497 PolarHBondContact CE1-OE1 2.88Å; H79-E497 IonicContact CG-OE1 2.72Å; H79-E497 IonicContact ND1-OE1 3.59Å; H79-E497 PolarHBondContact ND1-OE1 2.9Å
80Q76.9Confident87.6Confident14 Ų1439.3 Ų39.37%0.06521%0.208CC..SBendtrans-65.2-25.8-176.7146.6-150.45100113.6D159 E160 S495 L496Q80-D159 WeakPolarHBondContact CB-O 3.4Å; Q80-E160 HydrophobicContact CB-CB 4.4Å; Q80-E160 WeakPolarHBondContact CB-O 3.16Å; Q80-E160 VanDerWaalsContact CD-CB 3.49Å; Q80-E160 HydrophobicContact CG-CB 4.37Å; Q80-E160 WeakPolarHBondContact CG-O 2.96Å; Q80-E160 PolarHBondContact NE2-O 3.46Å; Q80-S495 PolarHBondContact NE2-O 2.8Å; Q80-S495 VanDerWaalsContact NE2-O 3.15Å; Q80-S495 WeakPolarHBondContact O-CA 3.18Å; Q80-S495 PolarHBondContact O-N 2.74Å; Q80-S495 PolarHBondContact OE1-O 2.94Å; Q80-L496 HydrophobicContact CB-CB 3.67Å; Q80-L496 HydrophobicContact CB-CD2 3.94Å; Q80-L496 HydrophobicContact CB-CG 4.21Å; Q80-L496 HydrophobicContact CG-CB 3.78Å; Q80-L496 VanDerWaalsContact OE1-CA 3.25Å
81H74.6Confident87.7Confident81 Ų8139.5 Ų39.538%0.37521%0.208SC..SBendtrans-94.5140.2156.6-114.3153.3000107.2H79 M83 S495 L496 E497H79-H81 VanDerWaalsContact C-N 3.27Å; H79-H81 CarbonylContact C-O 3.59Å; H79-H81 VanDerWaalsContact C-O 3.27Å; H79-H81 VanDerWaalsContact CB-O 3.23Å; H79-H81 WeakPolarHBondContact CB-O 3.32Å; H79-H81 CarbonylContact O-C 2.76Å; H79-H81 PolarHBondContact O-N 3.28Å; H81-M83 PolarHBondContact O-N 2.8Å; H81-S495 PolarHBondContact CD2-OG 3.11Å; H81-S495 PolarHBondContact CE1-OG 3.44Å; H81-S495 PolarHBondContact ND1-OG 3Å; H81-S495 PolarHBondContact NE2-OG 3.4Å; H81-L496 HydrophobicContact CB-CB 3.97Å; H81-L496 VanDerWaalsContact CB-N 3.33Å; H81-L496 VanDerWaalsContact CG-N 3.29Å; H81-L496 PolarHBondContact ND1-N 2.83Å; H81-L496 PolarHBondContact ND1-O 3.43Å; H81-E497 HydrophobicContact CB-CB 4.38Å
82F79.6Confident87.9Confident29 Ų2939.2 Ų39.213%0.12721%0.206CC..  trans-78.2118-173.8-35.7-67.5000109.2L84 V137 Q140 Q141 E144 Y494F82-L84 HydrophobicContact CB-CB 4.15Å; F82-L84 HydrophobicContact CB-CD1 3.52Å; F82-L84 HydrophobicContact CB-CG 3.62Å; F82-L84 HydrophobicContact CG-CD1 4.29Å; F82-L84 PolarHBondContact O-N 3.33Å; F82-V137 HydrophobicContact CE2-CG1 3.46Å; F82-V137 VanDerWaalsContact CE2-CG1 3.46Å; F82-V137 HydrophobicContact CZ-CG1 3.71Å; F82-Q140 HydrophobicContact CB-CB 4.42Å; F82-Q140 HydrophobicContact CD1-CB 4.05Å; F82-Q140 HydrophobicContact CD2-CB 3.78Å; F82-Q140 HydrophobicContact CE1-CB 4.32Å; F82-Q140 HydrophobicContact CE2-CB 4.06Å; F82-Q140 HydrophobicContact CG-CB 3.76Å; F82-Q140 HydrophobicContact CZ-CB 4.31Å; F82-Q141 HydrophobicContact CE1-CB 3.94Å; F82-E144 WeakPolarHBondContact CA-OE1 3.48Å; F82-E144 HydrophobicContact CB-CG 4.17Å; F82-E144 HydrophobicContact CD1-CG 3.83Å; F82-Y494 AromaticContact CE1-CD1 3.84Å; F82-Y494 HydrophobicContact CE1-CD1 3.84Å; F82-Y494 HydrophobicContact CE1-CD2 4.43Å; F82-Y494 AromaticContact CE1-CE1 3.92Å; F82-Y494 HydrophobicContact CE1-CE1 3.92Å; F82-Y494 HydrophobicContact CE1-CE2 4.49Å; F82-Y494 HydrophobicContact CE1-CG 4.16Å; F82-Y494 HydrophobicContact CE2-CD2 4.49Å; F82-Y494 AromaticContact CZ-CD1 3.69Å; F82-Y494 HydrophobicContact CZ-CD1 3.69Å; F82-Y494 AromaticContact CZ-CD2 3.6Å; F82-Y494 HydrophobicContact CZ-CD2 3.6Å; F82-Y494 HydrophobicContact CZ-CE1 4.03Å; F82-Y494 AromaticContact CZ-CE2 3.95Å; F82-Y494 HydrophobicContact CZ-CE2 3.95Å; F82-Y494 AromaticContact CZ-CG 3.51Å; F82-Y494 HydrophobicContact CZ-CG 3.51Å
83M82.8Confident88.2Confident79 Ų7932.8 Ų32.839%0.38918%0.176SC..  trans-75.859.4168.7-97.5-76.8179.700108.8H81 E144 K147 E497 E498H81-M83 PolarHBondContact O-N 2.8Å; M83-E144 PolarHBondContact N-OE1 3.05Å; M83-K147 PolarHBondContact O-NZ 3.25Å; M83-E497 VanDerWaalsContact CE-OE1 3.24Å; M83-E497 WeakPolarHBondContact CE-OE1 3.4Å; M83-E497 WeakPolarHBondContact CE-OE2 3.14Å; M83-E497 WeakPolarHBondContact CG-OE1 3.5Å; M83-E497 WeakPolarHBondContact CG-OE2 3.27Å; M83-E498 HydrophobicContact CE-CG 4.16Å; M83-E498 WeakPolarHBondContact CE-OE1 3.47Å
84L89.2Confident88.3Confident23 Ų2330.6 Ų30.612%0.1216%0.164CC..  trans-122.6143.5-175.5-57.7176.9000109.8F82 N93 I132 Q140 V143 E144 K147F82-L84 HydrophobicContact CB-CB 4.15Å; F82-L84 HydrophobicContact CB-CD1 3.52Å; F82-L84 HydrophobicContact CB-CG 3.62Å; F82-L84 HydrophobicContact CG-CD1 4.29Å; F82-L84 PolarHBondContact O-N 3.33Å; L84-N93 VanDerWaalsContact CA-OD1 3.27Å; L84-N93 WeakPolarHBondContact CA-OD1 3.32Å; L84-N93 HydrophobicContact CD2-CB 3.75Å; L84-I132 HydrophobicContact CB-CG1 4.18Å; L84-I132 HydrophobicContact CB-CG2 3.78Å; L84-I132 HydrophobicContact CD1-CD1 4.03Å; L84-I132 HydrophobicContact CD1-CG2 4.13Å; L84-Q140 HydrophobicContact CD1-CB 3.9Å; L84-Q140 HydrophobicContact CD1-CG 4.28Å; L84-V143 HydrophobicContact CD1-CB 4.3Å; L84-V143 HydrophobicContact CD1-CG1 4.11Å; L84-V143 HydrophobicContact CD2-CG1 3.8Å; L84-E144 WeakPolarHBondContact CG-OE1 3.39Å; L84-K147 HydrophobicContact CD2-CD 4.44Å
85V88.6Confident88.4Confident58 Ų5830.5 Ų30.535%0.35216%0.163SC..  trans-93.3109.5177.2175.80000107.8A87 F88 N93V85-A87 HydrophobicContact CG1-CB 4.39Å; V85-A87 PolarHBondContact O-N 3.24Å; V85-A87 VanDerWaalsContact O-N 3.09Å; V85-F88 HydrophobicContact CB-CB 4.06Å; V85-F88 HydrophobicContact CB-CD1 4.47Å; V85-F88 HydrophobicContact CB-CD2 3.94Å; V85-F88 HydrophobicContact CB-CG 3.92Å; V85-F88 HydrophobicContact CG1-CB 4.1Å; V85-F88 HydrophobicContact CG1-CD1 3.74Å; V85-F88 HydrophobicContact CG1-CD2 4.05Å; V85-F88 HydrophobicContact CG1-CE1 4.13Å; V85-F88 HydrophobicContact CG1-CE2 4.42Å; V85-F88 HydrophobicContact CG1-CG 3.7Å; V85-F88 HydrophobicContact CG1-CZ 4.45Å; V85-F88 HydrophobicContact CG2-CD2 4.32Å; V85-F88 WeakPolarHBondContact O-CB 3.38Å; V85-F88 PolarHBondContact O-N 3.36Å; V85-N93 PolarHBondContact N-OD1 3.07Å; V85-N93 PolarHBondContact O-ND2 3.41Å
86D84.1Confident88.1Confident100 Ų10033.5 Ų33.554%0.53518%0.179SC..THydrogen-bonded Turntrans-47.3-37.6179.2-77.4-26.5000114.3F88 R133D86-F88 VanDerWaalsContact C-N 3.33Å; D86-R133 HydrophobicContact CB-CB 4.09Å; D86-R133 PolarHBondContact O-N 3.16Å
87A83.7Confident87.6Confident64 Ų6436.5 Ų36.553%0.52921%0.209SC..THydrogen-bonded Turntrans-83-3.2-177.100000114.5V85V85-A87 HydrophobicContact CG1-CB 4.39Å; V85-A87 PolarHBondContact O-N 3.24Å; V85-A87 VanDerWaalsContact O-N 3.09Å
88F92Very high87.2Confident83 Ų8337.8 Ų37.836%0.36422%0.22SC..SBendtrans-104.5158.1179.1-7910.5000110.9V85 D86 E92 N93 Y131 I132V85-F88 HydrophobicContact CB-CB 4.06Å; V85-F88 HydrophobicContact CB-CD1 4.47Å; V85-F88 HydrophobicContact CB-CD2 3.94Å; V85-F88 HydrophobicContact CB-CG 3.92Å; V85-F88 HydrophobicContact CG1-CB 4.1Å; V85-F88 HydrophobicContact CG1-CD1 3.74Å; V85-F88 HydrophobicContact CG1-CD2 4.05Å; V85-F88 HydrophobicContact CG1-CE1 4.13Å; V85-F88 HydrophobicContact CG1-CE2 4.42Å; V85-F88 HydrophobicContact CG1-CG 3.7Å; V85-F88 HydrophobicContact CG1-CZ 4.45Å; V85-F88 HydrophobicContact CG2-CD2 4.32Å; V85-F88 WeakPolarHBondContact O-CB 3.38Å; V85-F88 PolarHBondContact O-N 3.36Å; D86-F88 VanDerWaalsContact C-N 3.33Å; F88-E92 HydrophobicContact CB-CB 3.96Å; F88-E92 HydrophobicContact CD2-CB 3.96Å; F88-E92 HydrophobicContact CG-CB 4.14Å; F88-N93 WeakPolarHBondContact CB-ND2 3.49Å; F88-Y131 WeakPolarHBondContact O-CA 3.43Å; F88-I132 PolarHBondContact O-N 3.01Å; F88-I132 VanDerWaalsContact O-N 3.08Å
89T93.5Very high87Confident14 Ų1441.2 Ų41.29%0.08624%0.236CC..BIsolated β-bridgetrans-71.1162.3170.259.50000112.3T91 E92 N93 D129 A130 Y131T89-T91 VanDerWaalsContact C-N 3.25Å; T89-T91 PolarHBondContact O-N 3.29Å; T89-E92 WeakPolarHBondContact CB-OE2 3.44Å; T89-E92 WeakPolarHBondContact CG2-OE2 3.4Å; T89-E92 PolarHBondContact N-OE2 3.4Å; T89-E92 PolarHBondContact O-N 2.67Å; T89-E92 VanDerWaalsContact OG1-CD 3.29Å; T89-E92 WeakPolarHBondContact OG1-CG 3.08Å; T89-E92 PolarHBondContact OG1-N 2.84Å; T89-E92 PolarHBondContact OG1-OE2 2.76Å; T89-N93 PolarHBondContact O-N 2.87Å; T89-N93 PolarHBondContact O-ND2 2.79Å; T89-D129 VanDerWaalsContact CG2-O 3.27Å; T89-D129 WeakPolarHBondContact CG2-O 3.47Å; T89-A130 CarbonylContact C-O 3.52Å; T89-A130 WeakPolarHBondContact CA-O 3.4Å; T89-Y131 HydrophobicContact CG2-CD1 4.24Å; T89-Y131 HydrophobicContact CG2-CE1 4.09Å
90V93.4Very high87.1Confident0 Ų040.6 Ų40.60%023%0.234CC..Hα-helixtrans-52.7-44.3168.9167.40000111.2E92 N93 I94 V126 D127 A130 I132 I135 V143V90-E92 PolarHBondContact O-N 2.95Å; V90-N93 PolarHBondContact O-N 3.2Å; V90-I94 HydrophobicContact CG1-CD1 3.66Å; V90-I94 WeakPolarHBondContact O-CG1 3.24Å; V90-I94 PolarHBondContact O-N 2.95Å; V90-V126 HydrophobicContact CG1-CB 4.47Å; V90-V126 HydrophobicContact CG1-CG2 4.01Å; V90-D127 VanDerWaalsContact CB-O 3.23Å; V90-D127 WeakPolarHBondContact CB-O 3.26Å; V90-D127 VanDerWaalsContact CG2-O 3.25Å; V90-D127 WeakPolarHBondContact CG2-O 3.46Å; V90-A130 PolarHBondContact N-O 3.19Å; V90-I132 HydrophobicContact CG2-CD1 3.81Å; V90-I135 HydrophobicContact CG2-CD1 3.89Å; V90-V143 HydrophobicContact CB-CG2 4.35Å; V90-V143 HydrophobicContact CG1-CG1 4.24Å; V90-V143 HydrophobicContact CG1-CG2 3.68Å; V90-V143 HydrophobicContact CG2-CG2 3.83Å
91T93.6Very high87.4Confident4 Ų447 Ų473%0.02526%0.262CS..Hα-helixtrans-57.3-48.3175.7-66.20000112.2T89 N93 I94 I95 A111 I115 P128T89-T91 VanDerWaalsContact C-N 3.25Å; T89-T91 PolarHBondContact O-N 3.29Å; T91-N93 VanDerWaalsContact C-N 3.33Å; T91-N93 PolarHBondContact O-N 3.44Å; T91-I94 PolarHBondContact O-N 3.35Å; T91-I95 HydrophobicContact CG2-CD1 4.17Å; T91-I95 WeakPolarHBondContact O-CD1 3.49Å; T91-I95 VanDerWaalsContact O-CG1 3.28Å; T91-I95 WeakPolarHBondContact O-CG1 3.41Å; T91-I95 PolarHBondContact O-N 2.95Å; T91-A111 HydrophobicContact CG2-CB 3.78Å; T91-I115 HydrophobicContact CG2-CD1 4.16Å; T91-P128 WeakPolarHBondContact CB-O 3.35Å; T91-P128 PolarHBondContact N-O 2.69Å; T91-P128 WeakPolarHBondContact OG1-CB 3.44Å; T91-P128 PolarHBondContact OG1-O 2.82Å
92E93Very high87.6Confident41 Ų4149.4 Ų49.419%0.19227%0.271CS..Hα-helixtrans-67-33.4-178.1-75.7159.714500112.8F88 T89 V90 L96 K108F88-E92 HydrophobicContact CB-CB 3.96Å; F88-E92 HydrophobicContact CD2-CB 3.96Å; F88-E92 HydrophobicContact CG-CB 4.14Å; T89-E92 WeakPolarHBondContact CB-OE2 3.44Å; T89-E92 WeakPolarHBondContact CG2-OE2 3.4Å; T89-E92 PolarHBondContact N-OE2 3.4Å; T89-E92 PolarHBondContact O-N 2.67Å; T89-E92 VanDerWaalsContact OG1-CD 3.29Å; T89-E92 WeakPolarHBondContact OG1-CG 3.08Å; T89-E92 PolarHBondContact OG1-N 2.84Å; T89-E92 PolarHBondContact OG1-OE2 2.76Å; V90-E92 PolarHBondContact O-N 2.95Å; E92-L96 PolarHBondContact O-N 3.27Å; E92-K108 VanDerWaalsContact CD-NZ 3.28Å; E92-K108 WeakPolarHBondContact OE1-CE 3.24Å; E92-K108 IonicContact OE1-NZ 3.93Å; E92-K108 PolarHBondContact OE1-NZ 2.91Å; E92-K108 IonicContact OE2-NZ 3.57Å
93N93.9Very high87.4Confident0 Ų055.8 Ų55.80%031%0.307CS..Hα-helixtrans-72.1-41.7176-82.5-80.9000113.4L84 V85 F88 T89 V90 T91 L96 I132 V143 K147L84-N93 VanDerWaalsContact CA-OD1 3.27Å; L84-N93 WeakPolarHBondContact CA-OD1 3.32Å; L84-N93 HydrophobicContact CD2-CB 3.75Å; V85-N93 PolarHBondContact N-OD1 3.07Å; V85-N93 PolarHBondContact O-ND2 3.41Å; F88-N93 WeakPolarHBondContact CB-ND2 3.49Å; T89-N93 PolarHBondContact O-N 2.87Å; T89-N93 PolarHBondContact O-ND2 2.79Å; V90-N93 PolarHBondContact O-N 3.2Å; T91-N93 VanDerWaalsContact C-N 3.33Å; T91-N93 PolarHBondContact O-N 3.44Å; N93-L96 WeakPolarHBondContact O-CB 3.28Å; N93-L96 PolarHBondContact O-N 3.28Å; N93-I132 HydrophobicContact CB-CD1 4.42Å; N93-I132 HydrophobicContact CB-CG1 4.45Å; N93-I132 WeakPolarHBondContact ND2-CG1 3.42Å; N93-V143 HydrophobicContact CB-CG1 4.46Å; N93-K147 VanDerWaalsContact O-CD 3.25Å; N93-K147 WeakPolarHBondContact O-CD 3.48Å
94I93.1Very high87.1Confident0 Ų055.2 Ų55.20%032%0.321CS..Hα-helixtrans-65.8-40.9-179.7-72.6166.7000111.2V90 T91 L96 I115 V143 L146 K147 Y150V90-I94 HydrophobicContact CG1-CD1 3.66Å; V90-I94 WeakPolarHBondContact O-CG1 3.24Å; V90-I94 PolarHBondContact O-N 2.95Å; T91-I94 PolarHBondContact O-N 3.35Å; I94-L96 VanDerWaalsContact C-N 3.33Å; I94-L96 PolarHBondContact O-N 2.93Å; I94-I115 HydrophobicContact CB-CD1 3.81Å; I94-I115 HydrophobicContact CB-CG1 4.32Å; I94-I115 HydrophobicContact CD1-CD1 4.09Å; I94-I115 HydrophobicContact CD1-CG1 4.26Å; I94-I115 HydrophobicContact CD1-CG2 3.77Å; I94-I115 HydrophobicContact CG2-CD1 3.71Å; I94-I115 HydrophobicContact CG2-CG1 3.72Å; I94-V143 HydrophobicContact CD1-CG1 4.18Å; I94-V143 HydrophobicContact CG1-CG1 3.86Å; I94-L146 HydrophobicContact CD1-CB 3.83Å; I94-L146 HydrophobicContact CD1-CD1 4.28Å; I94-L146 HydrophobicContact CG1-CB 4.34Å; I94-K147 HydrophobicContact CG1-CB 4.23Å; I94-Y150 HydrophobicContact CG2-CD1 4.16Å; I94-Y150 HydrophobicContact CG2-CD2 3.92Å; I94-Y150 HydrophobicContact CG2-CG 3.66Å
95I92.1Very high86.6Confident2 Ų261.1 Ų61.11%0.0135%0.35CS..Hα-helixtrans-81.7-7.6-179.170.2-162.6000114.3T91 G97 S98 E99 P100 L106 A111 I115 Y150T91-I95 HydrophobicContact CG2-CD1 4.17Å; T91-I95 WeakPolarHBondContact O-CD1 3.49Å; T91-I95 VanDerWaalsContact O-CG1 3.28Å; T91-I95 WeakPolarHBondContact O-CG1 3.41Å; T91-I95 PolarHBondContact O-N 2.95Å; I95-G97 PolarHBondContact O-N 3.44Å; I95-S98 CarbonylContact O-C 3.56Å; I95-S98 VanDerWaalsContact O-CA 3.29Å; I95-S98 WeakPolarHBondContact O-CA 3.44Å; I95-S98 PolarHBondContact O-N 3.08Å; I95-S98 PolarHBondContact O-OG 3.02Å; I95-S98 VanDerWaalsContact O-OG 3.05Å; I95-E99 PolarHBondContact O-N 2.9Å; I95-E99 VanDerWaalsContact O-N 3.12Å; I95-P100 HydrophobicContact CG2-CG 4.49Å; I95-L106 HydrophobicContact CD1-CD1 3.83Å; I95-L106 HydrophobicContact CD1-CD2 4.08Å; I95-L106 HydrophobicContact CD1-CG 4.17Å; I95-A111 HydrophobicContact CD1-CB 4Å; I95-A111 HydrophobicContact CG2-CB 3.61Å; I95-I115 HydrophobicContact CG2-CD1 4.25Å; I95-Y150 HydrophobicContact CB-CE1 4.31Å; I95-Y150 HydrophobicContact CG2-CE1 3.81Å; I95-Y150 HydrophobicContact CG2-CE2 4.27Å
96L87.1Confident86.3Confident65 Ų6561.5 Ų61.534%0.3435%0.35SS..THydrogen-bonded Turntrans-56.2126.9-178.3-168.665.4000111.4E92 N93 I94 S98 R151E92-L96 PolarHBondContact O-N 3.27Å; N93-L96 WeakPolarHBondContact O-CB 3.28Å; N93-L96 PolarHBondContact O-N 3.28Å; I94-L96 VanDerWaalsContact C-N 3.33Å; I94-L96 PolarHBondContact O-N 2.93Å; L96-S98 VanDerWaalsContact C-N 3.25Å; L96-S98 PolarHBondContact O-N 2.89Å; L96-R151 PolarHBondContact O-NH2 3.44Å
97G81.6Confident86.6Confident66 Ų6658.5 Ų58.568%0.6833%0.334SS*.THydrogen-bonded Turntrans74.97.7-172.900000115.2I95 E99I95-G97 PolarHBondContact O-N 3.44Å; G97-E99 PolarHBondContact N-OE1 3.15Å
98S84.2Confident86.8Confident41 Ų4159.9 Ų59.929%0.28733%0.328SS..SBendtrans-150.635.4-178.643.50000111.1I95 L96 P100I95-S98 CarbonylContact O-C 3.56Å; I95-S98 VanDerWaalsContact O-CA 3.29Å; I95-S98 WeakPolarHBondContact O-CA 3.44Å; I95-S98 PolarHBondContact O-N 3.08Å; I95-S98 PolarHBondContact O-OG 3.02Å; I95-S98 VanDerWaalsContact O-OG 3.05Å; L96-S98 VanDerWaalsContact C-N 3.25Å; L96-S98 PolarHBondContact O-N 2.89Å; S98-P100 WeakPolarHBondContact O-CD 3.39Å
99E86.7Confident86.6Confident72 Ų7264.7 Ų64.734%0.33635%0.348SS..  trans-68120-165.6-60.780.5-17500112.2I95 G97 K101 L106I95-E99 PolarHBondContact O-N 2.9Å; I95-E99 VanDerWaalsContact O-N 3.12Å; G97-E99 PolarHBondContact N-OE1 3.15Å; E99-K101 PolarHBondContact O-N 3.4Å; E99-L106 HydrophobicContact CB-CD1 3.77Å; E99-L106 HydrophobicContact CG-CD1 4.12Å
100P85.5Confident86.3Confident17 Ų1770.8 Ų70.811%0.1137%0.374CS..  trans-70.4116.8171.928.2-32.1000109.4I95 S98 D107 A111I95-P100 HydrophobicContact CG2-CG 4.49Å; S98-P100 WeakPolarHBondContact O-CD 3.39Å; P100-D107 HydrophobicContact CB-CB 4.47Å; P100-D107 PolarHBondContact O-N 3.11Å; P100-A111 HydrophobicContact CG-CB 3.85Å
101K84.3Confident86.2Confident149 Ų14970.8 Ų70.865%0.64837%0.374SS*.EExtended strand (participates in β ladder)trans-108.9139.5-179.3-63.6179.3-171.7-177.20111.6E99 M105E99-K101 PolarHBondContact O-N 3.4Å; K101-M105 CarbonylContact C-O 3.53Å; K101-M105 VanDerWaalsContact CA-O 3.3Å; K101-M105 WeakPolarHBondContact CA-O 3.43Å
102K78.4Confident86.1Confident131 Ų13173.9 Ų73.957%0.5739%0.387SS*.EExtended strand (participates in β ladder)trans-134.2117173.7-176.8179-178.9-179.90108.2G104 M105 D107K102-G104 PolarHBondContact O-N 3.33Å; K102-M105 PolarHBondContact N-O 3.14Å; K102-M105 PolarHBondContact O-N 3.31Å; K102-D107 HydrophobicContact CB-CB 4.13Å
103N75Confident86Confident162 Ų16275 Ų7587%0.86640%0.403SS*.THydrogen-bonded Turntrans51.142.2-174.4-57.47.4000112.6M105N103-M105 PolarHBondContact O-N 3.44Å; N103-M105 VanDerWaalsContact O-N 3.07Å
104G77.3Confident85.9Confident67 Ų6778.4 Ų78.469%0.69142%0.419SS*.THydrogen-bonded Turntrans79.9-33.6-175.200000114.8K102K102-G104 PolarHBondContact O-N 3.33Å
105M76.9Confident85.8Confident147 Ų14778.5 Ų78.572%0.72442%0.42SS*.EExtended strand (participates in β ladder)trans-70.2155.4178.2-52.7-173.691.400112.6K101 K102 N103 D107K101-M105 CarbonylContact C-O 3.53Å; K101-M105 VanDerWaalsContact CA-O 3.3Å; K101-M105 WeakPolarHBondContact CA-O 3.43Å; K102-M105 PolarHBondContact N-O 3.14Å; K102-M105 PolarHBondContact O-N 3.31Å; N103-M105 PolarHBondContact O-N 3.44Å; N103-M105 VanDerWaalsContact O-N 3.07Å; M105-D107 PolarHBondContact O-N 2.91Å
106L83.8Confident85.8Confident67 Ų6781 Ų8135%0.35144%0.435SS..EExtended strand (participates in β ladder)trans-76.3117.7177.4-172.371.2000111.1I95 E99 K108I95-L106 HydrophobicContact CD1-CD1 3.83Å; I95-L106 HydrophobicContact CD1-CD2 4.08Å; I95-L106 HydrophobicContact CD1-CG 4.17Å; E99-L106 HydrophobicContact CB-CD1 3.77Å; E99-L106 HydrophobicContact CG-CD1 4.12Å; L106-K108 VanDerWaalsContact C-N 3.25Å; L106-K108 HydrophobicContact CD2-CD 4.45Å; L106-K108 HydrophobicContact CD2-CG 3.82Å; L106-K108 HydrophobicContact CG-CG 4.12Å; L106-K108 PolarHBondContact O-N 2.91Å
107D89.8Confident86.1Confident37 Ų3783.3 Ų83.320%0.19844%0.439CS..  trans-81.471.5177.6-162.7-24.6000111.1P100 K102 M105 K109 K110 A111P100-D107 HydrophobicContact CB-CB 4.47Å; P100-D107 PolarHBondContact O-N 3.11Å; K102-D107 HydrophobicContact CB-CB 4.13Å; M105-D107 PolarHBondContact O-N 2.91Å; D107-K109 PolarHBondContact O-N 2.95Å; D107-K109 VanDerWaalsContact O-N 3.17Å; D107-K109 PolarHBondContact OD1-N 3.45Å; D107-K110 HydrophobicContact CB-CB 4.15Å; D107-K110 PolarHBondContact O-N 3.33Å; D107-K110 PolarHBondContact OD1-N 3.07Å; D107-A111 PolarHBondContact O-N 2.91Å
108K87.4Confident86.5Confident92 Ų9280.6 Ų80.640%0.441%0.409SS..Hα-helixtrans-55.5-28.2175.6-71.6-167.5174.7-1700112.7E92 L106 K112E92-K108 VanDerWaalsContact CD-NZ 3.28Å; E92-K108 WeakPolarHBondContact OE1-CE 3.24Å; E92-K108 IonicContact OE1-NZ 3.93Å; E92-K108 PolarHBondContact OE1-NZ 2.91Å; E92-K108 IonicContact OE2-NZ 3.57Å; L106-K108 VanDerWaalsContact C-N 3.25Å; L106-K108 HydrophobicContact CD2-CD 4.45Å; L106-K108 HydrophobicContact CD2-CG 3.82Å; L106-K108 HydrophobicContact CG-CG 4.12Å; L106-K108 PolarHBondContact O-N 2.91Å; K108-K112 VanDerWaalsContact O-CB 3.23Å; K108-K112 WeakPolarHBondContact O-CB 3.26Å; K108-K112 PolarHBondContact O-N 2.87Å
109K87.4Confident86.7Confident185 Ų18579.3 Ų79.380%0.80440%0.4SS*.Hα-helixtrans-71.2-46.3178.6-70.6-172.6176.8-176.80111.4D107 A113D107-K109 PolarHBondContact O-N 2.95Å; D107-K109 VanDerWaalsContact O-N 3.17Å; D107-K109 PolarHBondContact OD1-N 3.45Å; K109-A113 WeakPolarHBondContact O-CB 3.4Å; K109-A113 PolarHBondContact O-N 2.76Å; K109-A113 VanDerWaalsContact O-N 3.13Å
110K88.9Confident86.8Confident141 Ų14183 Ų8361%0.61342%0.417SS*.Hα-helixtrans-64.4-42.1173.3-173.3-176.3176.5-171.70111.6D107 A113 E114D107-K110 HydrophobicContact CB-CB 4.15Å; D107-K110 PolarHBondContact O-N 3.33Å; D107-K110 PolarHBondContact OD1-N 3.07Å; K110-A113 PolarHBondContact O-N 2.81Å; K110-E114 PolarHBondContact O-N 2.99Å
111A90.5Very high86.7Confident0 Ų086 Ų860%043%0.43CS..Hα-helixtrans-54.1-58.4175.200000111.5T91 I95 P100 D107 A113 E114 I115T91-A111 HydrophobicContact CG2-CB 3.78Å; I95-A111 HydrophobicContact CD1-CB 4Å; I95-A111 HydrophobicContact CG2-CB 3.61Å; P100-A111 HydrophobicContact CG-CB 3.85Å; D107-A111 PolarHBondContact O-N 2.91Å; A111-A113 VanDerWaalsContact C-N 3.33Å; A111-A113 PolarHBondContact O-N 2.91Å; A111-E114 PolarHBondContact O-N 3.14Å; A111-I115 VanDerWaalsContact O-CG1 3.27Å; A111-I115 WeakPolarHBondContact O-CG1 3.49Å; A111-I115 PolarHBondContact O-N 2.81Å
112K91.5Very high86.8Confident70 Ų7080.7 Ų80.730%0.30441%0.406SS..Hα-helixtrans-58.3-40.1-178.4179168.2176.9170.70113K108 I115 V116 P128 D129K108-K112 VanDerWaalsContact O-CB 3.23Å; K108-K112 WeakPolarHBondContact O-CB 3.26Å; K108-K112 PolarHBondContact O-N 2.87Å; K112-I115 PolarHBondContact O-N 2.87Å; K112-V116 HydrophobicContact CG-CG2 4.45Å; K112-V116 WeakPolarHBondContact O-CB 3.12Å; K112-V116 VanDerWaalsContact O-CG2 3.31Å; K112-V116 WeakPolarHBondContact O-CG2 3.31Å; K112-V116 PolarHBondContact O-N 2.88Å; K112-P128 HydrophobicContact CD-CB 4.33Å; K112-P128 HydrophobicContact CD-CG 4.03Å; K112-P128 HydrophobicContact CG-CB 3.99Å; K112-P128 HydrophobicContact CG-CG 3.88Å; K112-D129 IonicContact NZ-OD1 3.18Å; K112-D129 PolarHBondContact NZ-OD1 2.88Å; K112-D129 IonicContact NZ-OD2 2.81Å; K112-D129 PolarHBondContact NZ-OD2 3.38Å
113A90.9Very high87Confident65 Ų6576.9 Ų76.954%0.53740%0.404SS..Hα-helixtrans-62.3-44178.500000112.8K109 K110 A111 R117K109-A113 WeakPolarHBondContact O-CB 3.4Å; K109-A113 PolarHBondContact O-N 2.76Å; K109-A113 VanDerWaalsContact O-N 3.13Å; K110-A113 PolarHBondContact O-N 2.81Å; A111-A113 VanDerWaalsContact C-N 3.33Å; A111-A113 PolarHBondContact O-N 2.91Å; A113-R117 PolarHBondContact O-N 2.86Å
114E90.5Very high87.6Confident71 Ų7169.2 Ų69.233%0.33236%0.363SS..Hα-helixtrans-73.3-34177.5-174.872.1165.300111.8K110 A111 R117 L118 Y150K110-E114 PolarHBondContact O-N 2.99Å; A111-E114 PolarHBondContact O-N 3.14Å; E114-R117 PolarHBondContact O-N 2.79Å; E114-R117 IonicContact OE1-CZ 3.62Å; E114-R117 IonicContact OE1-NH1 3.44Å; E114-R117 PolarHBondContact OE1-NH1 2.83Å; E114-R117 IonicContact OE2-CZ 2.74Å; E114-R117 IonicContact OE2-NH1 3.53Å; E114-R117 PolarHBondContact OE2-NH1 3.26Å; E114-L118 HydrophobicContact CG-CD1 4.16Å; E114-L118 WeakPolarHBondContact O-CB 3.36Å; E114-L118 VanDerWaalsContact O-CG 3.29Å; E114-L118 WeakPolarHBondContact O-CG 3.46Å; E114-L118 PolarHBondContact O-N 2.92Å; E114-Y150 HydrophobicContact CB-CE2 4.07Å; E114-Y150 HydrophobicContact CG-CD2 4.22Å; E114-Y150 HydrophobicContact CG-CE2 3.94Å
115I92.7Very high87.8Confident2 Ų273.5 Ų73.51%0.0136%0.362CS..Hα-helixtrans-63.1-44.2173.3-68.3168.3000111.2T91 I94 I95 A111 K112 L118 S119 P128 Y150T91-I115 HydrophobicContact CG2-CD1 4.16Å; I94-I115 HydrophobicContact CB-CD1 3.81Å; I94-I115 HydrophobicContact CB-CG1 4.32Å; I94-I115 HydrophobicContact CD1-CD1 4.09Å; I94-I115 HydrophobicContact CD1-CG1 4.26Å; I94-I115 HydrophobicContact CD1-CG2 3.77Å; I94-I115 HydrophobicContact CG2-CD1 3.71Å; I94-I115 HydrophobicContact CG2-CG1 3.72Å; I95-I115 HydrophobicContact CG2-CD1 4.25Å; A111-I115 VanDerWaalsContact O-CG1 3.27Å; A111-I115 WeakPolarHBondContact O-CG1 3.49Å; A111-I115 PolarHBondContact O-N 2.81Å; K112-I115 PolarHBondContact O-N 2.87Å; I115-L118 PolarHBondContact O-N 3.17Å; I115-S119 VanDerWaalsContact O-CB 3.27Å; I115-S119 WeakPolarHBondContact O-CB 3.49Å; I115-S119 PolarHBondContact O-N 2.95Å; I115-P128 HydrophobicContact CG2-CB 4.41Å; I115-Y150 HydrophobicContact CG1-CD2 4.05Å; I115-Y150 HydrophobicContact CG1-CE2 4.13Å
116V91.4Very high88.4Confident55 Ų5567.5 Ų67.533%0.33333%0.334SS..Hα-helixtrans-62.9-44.9174.71700000110.5K112 L118 S119 E120 P128K112-V116 HydrophobicContact CG-CG2 4.45Å; K112-V116 WeakPolarHBondContact O-CB 3.12Å; K112-V116 VanDerWaalsContact O-CG2 3.31Å; K112-V116 WeakPolarHBondContact O-CG2 3.31Å; K112-V116 PolarHBondContact O-N 2.88Å; V116-L118 PolarHBondContact O-N 2.81Å; V116-S119 WeakPolarHBondContact O-CB 3.37Å; V116-S119 PolarHBondContact O-N 2.92Å; V116-E120 WeakPolarHBondContact O-CG 3.48Å; V116-E120 PolarHBondContact O-N 2.86Å; V116-P128 HydrophobicContact CG2-CG 4.29Å
117R92.5Very high88.6Confident112 Ų11267.9 Ų67.942%0.42334%0.336SS..Hα-helixtrans-57.4-46.7175.6-168.9-166.3120-133.8-7.2112A113 E114 E120 E121A113-R117 PolarHBondContact O-N 2.86Å; E114-R117 PolarHBondContact O-N 2.79Å; E114-R117 IonicContact OE1-CZ 3.62Å; E114-R117 IonicContact OE1-NH1 3.44Å; E114-R117 PolarHBondContact OE1-NH1 2.83Å; E114-R117 IonicContact OE2-CZ 2.74Å; E114-R117 IonicContact OE2-NH1 3.53Å; E114-R117 PolarHBondContact OE2-NH1 3.26Å; R117-E120 PolarHBondContact O-N 3.42Å; R117-E121 IonicContact CZ-OE2 3.41Å; R117-E121 IonicContact NE-OE2 3.44Å; R117-E121 PolarHBondContact NE-OE2 3.47Å; R117-E121 IonicContact NH2-OE1 3.51Å; R117-E121 IonicContact NH2-OE2 2.67Å; R117-E121 PolarHBondContact NH2-OE2 3.22Å; R117-E121 VanDerWaalsContact O-CB 3.28Å; R117-E121 WeakPolarHBondContact O-CB 3.41Å; R117-E121 PolarHBondContact O-N 2.9Å
118L90.2Very high88.7Confident10 Ų1066.7 Ų66.75%0.05233%0.331CS..Hα-helixtrans-68.7-33.7178.3-67.2167.9000112.3E114 I115 V116 E120 E121 Y122 L146 Y150E114-L118 HydrophobicContact CG-CD1 4.16Å; E114-L118 WeakPolarHBondContact O-CB 3.36Å; E114-L118 VanDerWaalsContact O-CG 3.29Å; E114-L118 WeakPolarHBondContact O-CG 3.46Å; E114-L118 PolarHBondContact O-N 2.92Å; I115-L118 PolarHBondContact O-N 3.17Å; V116-L118 PolarHBondContact O-N 2.81Å; L118-E120 VanDerWaalsContact C-N 3.27Å; L118-E120 PolarHBondContact O-N 2.8Å; L118-E121 PolarHBondContact O-N 3.39Å; L118-Y122 HydrophobicContact CD2-CD2 4.3Å; L118-Y122 HydrophobicContact CD2-CE2 3.77Å; L118-Y122 WeakPolarHBondContact O-CD2 3.35Å; L118-Y122 PolarHBondContact O-N 3.41Å; L118-L146 HydrophobicContact CB-CD2 3.79Å; L118-Y150 HydrophobicContact CD1-CD2 3.92Å; L118-Y150 HydrophobicContact CD1-CG 4.46Å
119S89.8Confident88.9Confident14 Ų1466.6 Ų66.610%0.09834%0.335CS..Hα-helixtrans-64-31.7172174.60000112.3I115 V116 G123 L124 K125I115-S119 VanDerWaalsContact O-CB 3.27Å; I115-S119 WeakPolarHBondContact O-CB 3.49Å; I115-S119 PolarHBondContact O-N 2.95Å; V116-S119 WeakPolarHBondContact O-CB 3.37Å; V116-S119 PolarHBondContact O-N 2.92Å; S119-G123 CarbonylContact O-C 3.2Å; S119-G123 VanDerWaalsContact O-C 3.25Å; S119-G123 WeakPolarHBondContact O-CA 3.44Å; S119-G123 PolarHBondContact O-N 3.18Å; S119-L124 PolarHBondContact O-N 3.43Å; S119-L124 PolarHBondContact OG-O 3.47Å; S119-K125 WeakPolarHBondContact OG-CA 3.29Å
120E87.8Confident89.1Confident150 Ų15058.8 Ų58.870%0.70130%0.304SS*.Hα-helixtrans-80.4-45.3173.5-69.8176170.900111.5V116 R117 L118 Y122 G123V116-E120 WeakPolarHBondContact O-CG 3.48Å; V116-E120 PolarHBondContact O-N 2.86Å; R117-E120 PolarHBondContact O-N 3.42Å; L118-E120 VanDerWaalsContact C-N 3.27Å; L118-E120 PolarHBondContact O-N 2.8Å; E120-Y122 PolarHBondContact O-N 3Å; E120-G123 PolarHBondContact O-N 2.83Å
121E84.5Confident89.1Confident80 Ų8057 Ų5737%0.37430%0.295SS..Hα-helixtrans-58.6-42.6-179-170.2175.1118.700112.6R117 L118R117-E121 IonicContact CZ-OE2 3.41Å; R117-E121 IonicContact NE-OE2 3.44Å; R117-E121 PolarHBondContact NE-OE2 3.47Å; R117-E121 IonicContact NH2-OE1 3.51Å; R117-E121 IonicContact NH2-OE2 2.67Å; R117-E121 PolarHBondContact NH2-OE2 3.22Å; R117-E121 VanDerWaalsContact O-CB 3.28Å; R117-E121 WeakPolarHBondContact O-CB 3.41Å; R117-E121 PolarHBondContact O-N 2.9Å; L118-E121 PolarHBondContact O-N 3.39Å
122Y85.2Confident89.1Confident37 Ų3757 Ų5715%0.14530%0.295CS..THydrogen-bonded Turntrans-107.28.4-179.7-59-82.3000113.8L118 E120 L124 L149 L180 E183 K185L118-Y122 HydrophobicContact CD2-CD2 4.3Å; L118-Y122 HydrophobicContact CD2-CE2 3.77Å; L118-Y122 WeakPolarHBondContact O-CD2 3.35Å; L118-Y122 PolarHBondContact O-N 3.41Å; E120-Y122 PolarHBondContact O-N 3Å; Y122-L124 PolarHBondContact O-N 3.18Å; Y122-L124 VanDerWaalsContact O-N 3.12Å; Y122-L149 HydrophobicContact CD1-CD1 4.3Å; Y122-L149 HydrophobicContact CD2-CD1 3.8Å; Y122-L149 HydrophobicContact CE1-CD2 4.4Å; Y122-L149 HydrophobicContact CE2-CD1 4.3Å; Y122-L149 HydrophobicContact CE2-CD2 4.48Å; Y122-L149 HydrophobicContact CG-CD1 3.83Å; Y122-L180 HydrophobicContact CD1-CD2 3.56Å; Y122-L180 HydrophobicContact CD1-CG 4.5Å; Y122-L180 HydrophobicContact CE1-CD2 3.84Å; Y122-L180 HydrophobicContact CG-CD2 4.4Å; Y122-E183 HydrophobicContact CD1-CG 4.5Å; Y122-E183 HydrophobicContact CE1-CB 4.05Å; Y122-E183 HydrophobicContact CE1-CG 3.96Å; Y122-K185 PolarHBondContact OH-NZ 2.95Å
123G83.2Confident88.9Confident51 Ų5161.3 Ų61.353%0.52631%0.309SS..  trans67.35.5-178.600000116S119 E120 K125S119-G123 CarbonylContact O-C 3.2Å; S119-G123 VanDerWaalsContact O-C 3.25Å; S119-G123 WeakPolarHBondContact O-CA 3.44Å; S119-G123 PolarHBondContact O-N 3.18Å; E120-G123 PolarHBondContact O-N 2.83Å; G123-K125 VanDerWaalsContact C-N 3.27Å; G123-K125 PolarHBondContact O-N 3.23Å
124L86.4Confident88.5Confident0 Ų063 Ų630%031%0.309CS..  trans-74.764.1-174-71167.9000113.3S119 Y122 V126 R142 I145 L146 L149 I176S119-L124 PolarHBondContact O-N 3.43Å; S119-L124 PolarHBondContact OG-O 3.47Å; Y122-L124 PolarHBondContact O-N 3.18Å; Y122-L124 VanDerWaalsContact O-N 3.12Å; L124-V126 PolarHBondContact O-N 2.96Å; L124-V126 VanDerWaalsContact O-N 3.16Å; L124-R142 HydrophobicContact CD2-CB 4.18Å; L124-R142 HydrophobicContact CD2-CG 4.06Å; L124-I145 HydrophobicContact CD1-CB 4.12Å; L124-I145 HydrophobicContact CD1-CG2 3.53Å; L124-I145 HydrophobicContact CD2-CB 4.43Å; L124-I145 HydrophobicContact CD2-CD1 4.32Å; L124-I145 HydrophobicContact CD2-CG2 4.3Å; L124-L146 HydrophobicContact CB-CD1 4.04Å; L124-L146 HydrophobicContact CB-CD2 3.99Å; L124-L146 HydrophobicContact CB-CG 3.85Å; L124-L146 HydrophobicContact CD1-CD2 3.89Å; L124-L146 HydrophobicContact CD1-CG 3.89Å; L124-L146 WeakPolarHBondContact O-CD1 3.44Å; L124-L149 HydrophobicContact CD1-CD1 3.55Å; L124-I176 HydrophobicContact CD2-CD1 3.68Å; L124-I176 HydrophobicContact CD2-CG1 4.02Å; L124-I176 HydrophobicContact CD2-CG2 3.85Å
125K83Confident88.1Confident157 Ų15760.6 Ų60.668%0.68330%0.298SS*.  trans-57.8117.1-178.5-67.8179.9-177.6175.10112.6S119 G123 R142S119-K125 WeakPolarHBondContact OG-CA 3.29Å; G123-K125 VanDerWaalsContact C-N 3.27Å; G123-K125 PolarHBondContact O-N 3.23Å; K125-R142 WeakPolarHBondContact O-CD 3.39Å; K125-R142 PolarHBondContact O-NH1 2.99Å; K125-R142 VanDerWaalsContact O-NH1 3.12Å
126V88.3Confident87.5Confident22 Ų2263.3 Ų63.313%0.13332%0.318CS..  trans-140.2155.9172.1-60.40000109.9V90 L124 P128 R142 V143 L146V90-V126 HydrophobicContact CG1-CB 4.47Å; V90-V126 HydrophobicContact CG1-CG2 4.01Å; L124-V126 PolarHBondContact O-N 2.96Å; L124-V126 VanDerWaalsContact O-N 3.16Å; V126-P128 WeakPolarHBondContact O-CD 3.44Å; V126-R142 HydrophobicContact CG1-CB 3.58Å; V126-V143 HydrophobicContact CB-CG2 4.29Å; V126-V143 HydrophobicContact CG1-CG2 3.87Å; V126-L146 HydrophobicContact CB-CD1 4.45Å; V126-L146 HydrophobicContact CG1-CD1 4.12Å; V126-L146 HydrophobicContact CG2-CD1 3.44Å; V126-L146 VanDerWaalsContact CG2-CD1 3.44Å
127D88.8Confident86.9Confident74 Ų7463.9 Ų63.940%0.39632%0.321SS..  trans-86.8117.6166.8-179.1-5.6000109.4V90 D129 A130V90-D127 VanDerWaalsContact CB-O 3.23Å; V90-D127 WeakPolarHBondContact CB-O 3.26Å; V90-D127 VanDerWaalsContact CG2-O 3.25Å; V90-D127 WeakPolarHBondContact CG2-O 3.46Å; D127-D129 VanDerWaalsContact C-N 3.3Å; D127-D129 PolarHBondContact O-N 2.66Å; D127-D129 PolarHBondContact OD1-N 3.22Å; D127-A130 HydrophobicContact CB-CB 3.95Å
128P91Very high86.3Confident13 Ų1358.7 Ų58.78%0.08430%0.302CS..SBendtrans-68.6-20.6178.629.4-37.6000114.8T91 K112 I115 V116 V126T91-P128 WeakPolarHBondContact CB-O 3.35Å; T91-P128 PolarHBondContact N-O 2.69Å; T91-P128 WeakPolarHBondContact OG1-CB 3.44Å; T91-P128 PolarHBondContact OG1-O 2.82Å; K112-P128 HydrophobicContact CD-CB 4.33Å; K112-P128 HydrophobicContact CD-CG 4.03Å; K112-P128 HydrophobicContact CG-CB 3.99Å; K112-P128 HydrophobicContact CG-CG 3.88Å; I115-P128 HydrophobicContact CG2-CB 4.41Å; V116-P128 HydrophobicContact CG2-CG 4.29Å; V126-P128 WeakPolarHBondContact O-CD 3.44Å
129D91.3Very high86Confident89 Ų8960.3 Ų60.348%0.47631%0.31SS..SBendtrans-92.6-19.4-177.7-64.4-24.6000113.3T89 K112 D127T89-D129 VanDerWaalsContact CG2-O 3.27Å; T89-D129 WeakPolarHBondContact CG2-O 3.47Å; K112-D129 IonicContact NZ-OD1 3.18Å; K112-D129 PolarHBondContact NZ-OD1 2.88Å; K112-D129 IonicContact NZ-OD2 2.81Å; K112-D129 PolarHBondContact NZ-OD2 3.38Å; D127-D129 VanDerWaalsContact C-N 3.3Å; D127-D129 PolarHBondContact O-N 2.66Å; D127-D129 PolarHBondContact OD1-N 3.22Å
130A91.6Very high85.9Confident21 Ų2161 Ų6117%0.17431%0.312CS..SBendtrans-66.5148.3-178.300000112.6T89 V90 D127 I135T89-A130 CarbonylContact C-O 3.52Å; T89-A130 WeakPolarHBondContact CA-O 3.4Å; V90-A130 PolarHBondContact N-O 3.19Å; D127-A130 HydrophobicContact CB-CB 3.95Å; A130-I135 HydrophobicContact CB-CG2 3.55Å
131Y90.4Very high85.8Confident104 Ų10454 Ų5441%0.40828%0.279SS..BIsolated β-bridgetrans-79.5146.6171.9-68.4-85.3000111.3F88 T89 R133 D134 I135F88-Y131 WeakPolarHBondContact O-CA 3.43Å; T89-Y131 HydrophobicContact CG2-CD1 4.24Å; T89-Y131 HydrophobicContact CG2-CE1 4.09Å; Y131-R133 VanDerWaalsContact C-N 3.32Å; Y131-R133 PolarHBondContact O-N 2.88Å; Y131-D134 WeakPolarHBondContact CB-OD2 3.16Å; Y131-D134 PolarHBondContact O-N 2.94Å; Y131-I135 PolarHBondContact O-N 3.06Å
132I90.8Very high86.1Confident1 Ų152.8 Ų52.81%0.00527%0.271CS..G310 helixtrans-59.1-40.7-177.6-65.6-52.7000113L84 F88 V90 N93 D134 I135 Q140 V143L84-I132 HydrophobicContact CB-CG1 4.18Å; L84-I132 HydrophobicContact CB-CG2 3.78Å; L84-I132 HydrophobicContact CD1-CD1 4.03Å; L84-I132 HydrophobicContact CD1-CG2 4.13Å; F88-I132 PolarHBondContact O-N 3.01Å; F88-I132 VanDerWaalsContact O-N 3.08Å; V90-I132 HydrophobicContact CG2-CD1 3.81Å; N93-I132 HydrophobicContact CB-CD1 4.42Å; N93-I132 HydrophobicContact CB-CG1 4.45Å; N93-I132 WeakPolarHBondContact ND2-CG1 3.42Å; I132-D134 PolarHBondContact O-N 2.83Å; I132-I135 HydrophobicContact CD1-CD1 3.9Å; I132-I135 WeakPolarHBondContact O-CG1 3.47Å; I132-I135 PolarHBondContact O-N 2.7Å; I132-Q140 HydrophobicContact CG2-CG 4.25Å; I132-Q140 PolarHBondContact O-NE2 2.73Å; I132-V143 HydrophobicContact CD1-CG1 4.18Å
133R85.4Confident86.5Confident160 Ų16051 Ų5160%0.60426%0.264SS*.G310 helixtrans-61.3-21.4175.676-169.6-175171.93.5114.3D86 Y131D86-R133 HydrophobicContact CB-CB 4.09Å; D86-R133 PolarHBondContact O-N 3.16Å; Y131-R133 VanDerWaalsContact C-N 3.32Å; Y131-R133 PolarHBondContact O-N 2.88Å
134D82.6Confident86.9Confident101 Ų10148.7 Ų48.754%0.5424%0.239SC..G310 helixtrans-104.80.7-170.3-65.7-44.5000112Y131 I132Y131-D134 WeakPolarHBondContact CB-OD2 3.16Å; Y131-D134 PolarHBondContact O-N 2.94Å; I132-D134 PolarHBondContact O-N 2.83Å
135I83.4Confident87.2Confident20 Ų2048.7 Ų48.710%0.10324%0.24CC..SBendtrans-110158.1176.959.7164.3000112.3V90 A130 Y131 I132 M139 Q140 V143V90-I135 HydrophobicContact CG2-CD1 3.89Å; A130-I135 HydrophobicContact CB-CG2 3.55Å; Y131-I135 PolarHBondContact O-N 3.06Å; I132-I135 HydrophobicContact CD1-CD1 3.9Å; I132-I135 WeakPolarHBondContact O-CG1 3.47Å; I132-I135 PolarHBondContact O-N 2.7Å; I135-M139 HydrophobicContact CB-CB 4.06Å; I135-M139 HydrophobicContact CB-CE 3.95Å; I135-M139 HydrophobicContact CB-SD 4.03Å; I135-M139 HydrophobicContact CD1-CB 3.88Å; I135-M139 HydrophobicContact CG1-CB 4.35Å; I135-M139 HydrophobicContact CG2-CE 3.64Å; I135-M139 HydrophobicContact CG2-SD 4.27Å; I135-Q140 HydrophobicContact CD1-CG 3.82Å; I135-Q140 HydrophobicContact CG1-CG 3.89Å; I135-V143 HydrophobicContact CD1-CG2 4.12Å
136S80.4Confident87.7Confident59 Ų5941.3 Ų41.341%0.41321%0.207SC..  trans-68.5157.3179.876.70000112.7G138 M139 Q140S136-G138 PolarHBondContact O-N 3.2Å; S136-M139 WeakPolarHBondContact O-CA 3.48Å; S136-M139 WeakPolarHBondContact O-CB 3.33Å; S136-M139 PolarHBondContact O-N 2.72Å; S136-M139 WeakPolarHBondContact OG-CG 3.06Å; S136-M139 PolarHBondContact OG-N 2.85Å; S136-Q140 PolarHBondContact O-N 2.75Å
137V78.3Confident87.9Confident66 Ų6640.6 Ų40.640%0.420%0.202SC..Hα-helixtrans-54.9-41.5174.9-143.10000111.1F82 M139 Q140 Q141 Y494F82-V137 HydrophobicContact CE2-CG1 3.46Å; F82-V137 VanDerWaalsContact CE2-CG1 3.46Å; F82-V137 HydrophobicContact CZ-CG1 3.71Å; V137-M139 VanDerWaalsContact C-N 3.33Å; V137-M139 PolarHBondContact O-N 2.96Å; V137-Q140 WeakPolarHBondContact O-CB 3.44Å; V137-Q140 PolarHBondContact O-N 3.07Å; V137-Q140 VanDerWaalsContact O-N 3.11Å; V137-Q141 PolarHBondContact O-N 2.85Å; V137-Y494 HydrophobicContact CB-CD2 3.84Å; V137-Y494 HydrophobicContact CB-CE2 3.94Å; V137-Y494 HydrophobicContact CG1-CD2 3.37Å; V137-Y494 HydrophobicContact CG1-CE2 3.89Å; V137-Y494 HydrophobicContact CG1-CG 4.3Å; V137-Y494 WeakPolarHBondContact O-CE2 3.43Å
138G79Confident88Confident3 Ų337.1 Ų37.13%0.03118%0.184CC..Hα-helixtrans-57-40.7172.800000114S136 R142 E169 Y494S136-G138 PolarHBondContact O-N 3.2Å; G138-R142 WeakPolarHBondContact O-CG 3.48Å; G138-R142 PolarHBondContact O-N 3.31Å; G138-E169 VanDerWaalsContact CA-OE1 3.26Å; G138-E169 WeakPolarHBondContact CA-OE1 3.44Å; G138-Y494 WeakPolarHBondContact CA-OH 3.38Å
139M84.3Confident88Confident44 Ų4437 Ų3722%0.21718%0.183CC..Hα-helixtrans-69-38.3174.1-68.1173.966.200111.8I135 S136 V137 Q141 R142 V143I135-M139 HydrophobicContact CB-CB 4.06Å; I135-M139 HydrophobicContact CB-CE 3.95Å; I135-M139 HydrophobicContact CB-SD 4.03Å; I135-M139 HydrophobicContact CD1-CB 3.88Å; I135-M139 HydrophobicContact CG1-CB 4.35Å; I135-M139 HydrophobicContact CG2-CE 3.64Å; I135-M139 HydrophobicContact CG2-SD 4.27Å; S136-M139 WeakPolarHBondContact O-CA 3.48Å; S136-M139 WeakPolarHBondContact O-CB 3.33Å; S136-M139 PolarHBondContact O-N 2.72Å; S136-M139 WeakPolarHBondContact OG-CG 3.06Å; S136-M139 PolarHBondContact OG-N 2.85Å; V137-M139 VanDerWaalsContact C-N 3.33Å; V137-M139 PolarHBondContact O-N 2.96Å; M139-Q141 VanDerWaalsContact C-N 3.29Å; M139-Q141 PolarHBondContact O-N 3.32Å; M139-R142 WeakPolarHBondContact O-CB 2.94Å; M139-R142 PolarHBondContact O-N 3.03Å; M139-V143 VanDerWaalsContact O-CG2 3.32Å; M139-V143 WeakPolarHBondContact O-CG2 3.48Å; M139-V143 PolarHBondContact O-N 2.7Å
140Q88.9Confident88Confident30 Ų3035 Ų3514%0.1417%0.169CC..Hα-helixtrans-58.8-37.8179.7-67.51790.500112.4F82 L84 I132 I135 S136 V137 V143 E144F82-Q140 HydrophobicContact CB-CB 4.42Å; F82-Q140 HydrophobicContact CD1-CB 4.05Å; F82-Q140 HydrophobicContact CD2-CB 3.78Å; F82-Q140 HydrophobicContact CE1-CB 4.32Å; F82-Q140 HydrophobicContact CE2-CB 4.06Å; F82-Q140 HydrophobicContact CG-CB 3.76Å; F82-Q140 HydrophobicContact CZ-CB 4.31Å; L84-Q140 HydrophobicContact CD1-CB 3.9Å; L84-Q140 HydrophobicContact CD1-CG 4.28Å; I132-Q140 HydrophobicContact CG2-CG 4.25Å; I132-Q140 PolarHBondContact O-NE2 2.73Å; I135-Q140 HydrophobicContact CD1-CG 3.82Å; I135-Q140 HydrophobicContact CG1-CG 3.89Å; S136-Q140 PolarHBondContact O-N 2.75Å; V137-Q140 WeakPolarHBondContact O-CB 3.44Å; V137-Q140 PolarHBondContact O-N 3.07Å; V137-Q140 VanDerWaalsContact O-N 3.11Å; Q140-V143 WeakPolarHBondContact O-CB 3.33Å; Q140-V143 PolarHBondContact O-N 2.69Å; Q140-E144 PolarHBondContact O-N 2.91Å
141Q85.6Confident88Confident2 Ų237.5 Ų37.51%0.00917%0.174CC..Hα-helixtrans-69-40.8170.9-176.875.6-23.700113.4F82 V137 M139 V143 E144 I145 Y494F82-Q141 HydrophobicContact CE1-CB 3.94Å; V137-Q141 PolarHBondContact O-N 2.85Å; M139-Q141 VanDerWaalsContact C-N 3.29Å; M139-Q141 PolarHBondContact O-N 3.32Å; Q141-V143 PolarHBondContact O-N 3.07Å; Q141-E144 WeakPolarHBondContact O-CA 3.3Å; Q141-E144 WeakPolarHBondContact O-CB 3.3Å; Q141-E144 PolarHBondContact O-N 3.45Å; Q141-I145 HydrophobicContact CG-CD1 3.94Å; Q141-I145 HydrophobicContact CG-CG1 4.33Å; Q141-I145 VanDerWaalsContact O-CG1 3.29Å; Q141-I145 WeakPolarHBondContact O-CG1 3.34Å; Q141-I145 PolarHBondContact O-N 3.04Å; Q141-Y494 HydrophobicContact CB-CE1 3.39Å; Q141-Y494 HydrophobicContact CB-CE2 4.42Å; Q141-Y494 WeakPolarHBondContact CB-OH 3.27Å; Q141-Y494 HydrophobicContact CG-CE1 3.56Å
142R90.5Very high87.8Confident55 Ų5534.7 Ų34.721%0.20818%0.176CC..Hα-helixtrans-58.8-33174.7-65.1176.8-171.2173.63.1110.3L124 K125 V126 G138 M139 L146 E172L124-R142 HydrophobicContact CD2-CB 4.18Å; L124-R142 HydrophobicContact CD2-CG 4.06Å; K125-R142 WeakPolarHBondContact O-CD 3.39Å; K125-R142 PolarHBondContact O-NH1 2.99Å; K125-R142 VanDerWaalsContact O-NH1 3.12Å; V126-R142 HydrophobicContact CG1-CB 3.58Å; G138-R142 WeakPolarHBondContact O-CG 3.48Å; G138-R142 PolarHBondContact O-N 3.31Å; M139-R142 WeakPolarHBondContact O-CB 2.94Å; M139-R142 PolarHBondContact O-N 3.03Å; R142-L146 WeakPolarHBondContact O-CB 3.28Å; R142-L146 VanDerWaalsContact O-CG 3.31Å; R142-L146 WeakPolarHBondContact O-CG 3.48Å; R142-L146 PolarHBondContact O-N 3.42Å; R142-E172 IonicContact CZ-OE2 3.72Å; R142-E172 IonicContact NH2-OE1 2.65Å; R142-E172 PolarHBondContact NH2-OE1 2.83Å; R142-E172 IonicContact NH2-OE2 3.53Å; R142-E172 PolarHBondContact NH2-OE2 3.26Å
143V93.5Very high87.9Confident0 Ų034.9 Ų34.90%018%0.178CC..Hα-helixtrans-69-41.2170.7177.80000112.5L84 V90 N93 I94 V126 I132 I135 M139 Q140 Q141 L146 K147L84-V143 HydrophobicContact CD1-CB 4.3Å; L84-V143 HydrophobicContact CD1-CG1 4.11Å; L84-V143 HydrophobicContact CD2-CG1 3.8Å; V90-V143 HydrophobicContact CB-CG2 4.35Å; V90-V143 HydrophobicContact CG1-CG1 4.24Å; V90-V143 HydrophobicContact CG1-CG2 3.68Å; V90-V143 HydrophobicContact CG2-CG2 3.83Å; N93-V143 HydrophobicContact CB-CG1 4.46Å; I94-V143 HydrophobicContact CD1-CG1 4.18Å; I94-V143 HydrophobicContact CG1-CG1 3.86Å; V126-V143 HydrophobicContact CB-CG2 4.29Å; V126-V143 HydrophobicContact CG1-CG2 3.87Å; I132-V143 HydrophobicContact CD1-CG1 4.18Å; I135-V143 HydrophobicContact CD1-CG2 4.12Å; M139-V143 VanDerWaalsContact O-CG2 3.32Å; M139-V143 WeakPolarHBondContact O-CG2 3.48Å; M139-V143 PolarHBondContact O-N 2.7Å; Q140-V143 WeakPolarHBondContact O-CB 3.33Å; Q140-V143 PolarHBondContact O-N 2.69Å; Q141-V143 PolarHBondContact O-N 3.07Å; V143-L146 PolarHBondContact O-N 3.25Å; V143-K147 WeakPolarHBondContact O-CB 3.29Å; V143-K147 PolarHBondContact O-N 3.39Å
144E92.4Very high88.2Confident1 Ų131.7 Ų31.71%0.00517%0.173CC..Hα-helixtrans-59.9-44.9171-78-62.1154.500113V78 F82 M83 L84 Q140 Q141 K147 T148V78-E144 HydrophobicContact CG1-CB 4.06Å; F82-E144 WeakPolarHBondContact CA-OE1 3.48Å; F82-E144 HydrophobicContact CB-CG 4.17Å; F82-E144 HydrophobicContact CD1-CG 3.83Å; M83-E144 PolarHBondContact N-OE1 3.05Å; L84-E144 WeakPolarHBondContact CG-OE1 3.39Å; Q140-E144 PolarHBondContact O-N 2.91Å; Q141-E144 WeakPolarHBondContact O-CA 3.3Å; Q141-E144 WeakPolarHBondContact O-CB 3.3Å; Q141-E144 PolarHBondContact O-N 3.45Å; E144-K147 PolarHBondContact O-N 2.84Å; E144-K147 IonicContact OE1-NZ 3.41Å; E144-K147 PolarHBondContact OE1-NZ 2.86Å; E144-K147 WeakPolarHBondContact OE2-CE 3.47Å; E144-K147 IonicContact OE2-NZ 3.82Å; E144-K147 PolarHBondContact OE2-NZ 3.26Å; E144-T148 WeakPolarHBondContact O-CB 3.09Å; E144-T148 PolarHBondContact O-N 2.85Å; E144-T148 PolarHBondContact O-OG1 3.47Å
145I92.7Very high88.8Confident1 Ų128 Ų281%0.00515%0.154CC..Hα-helixtrans-65.6-45.8178.6-59.7166.5000109.3V78 L124 Q141 K147 T148 L149 F158 L173 I176 L180V78-I145 HydrophobicContact CG1-CG1 4.41Å; V78-I145 HydrophobicContact CG2-CG1 4.04Å; L124-I145 HydrophobicContact CD1-CB 4.12Å; L124-I145 HydrophobicContact CD1-CG2 3.53Å; L124-I145 HydrophobicContact CD2-CB 4.43Å; L124-I145 HydrophobicContact CD2-CD1 4.32Å; L124-I145 HydrophobicContact CD2-CG2 4.3Å; Q141-I145 HydrophobicContact CG-CD1 3.94Å; Q141-I145 HydrophobicContact CG-CG1 4.33Å; Q141-I145 VanDerWaalsContact O-CG1 3.29Å; Q141-I145 WeakPolarHBondContact O-CG1 3.34Å; Q141-I145 PolarHBondContact O-N 3.04Å; I145-K147 PolarHBondContact O-N 3.05Å; I145-T148 WeakPolarHBondContact O-CB 3.37Å; I145-T148 PolarHBondContact O-N 3.31Å; I145-T148 VanDerWaalsContact O-N 3.16Å; I145-L149 HydrophobicContact CG2-CD1 3.81Å; I145-L149 HydrophobicContact CG2-CG 4.38Å; I145-L149 VanDerWaalsContact O-CG 3.3Å; I145-L149 WeakPolarHBondContact O-CG 3.34Å; I145-L149 PolarHBondContact O-N 2.91Å; I145-F158 HydrophobicContact CD1-CE1 3.81Å; I145-F158 HydrophobicContact CD1-CZ 4.22Å; I145-F158 HydrophobicContact CG1-CE1 3.73Å; I145-F158 HydrophobicContact CG1-CZ 4.03Å; I145-L173 HydrophobicContact CD1-CD1 3.77Å; I145-I176 HydrophobicContact CD1-CG2 4.15Å; I145-L180 HydrophobicContact CG2-CD1 4.28Å
146L92.4Very high89.3Confident1 Ų127 Ų271%0.00515%0.149CC..Hα-helixtrans-62.7-40.8174.4-78.8171.4000112.8I94 L118 L124 V126 R142 V143 T148 L149 Y150I94-L146 HydrophobicContact CD1-CB 3.83Å; I94-L146 HydrophobicContact CD1-CD1 4.28Å; I94-L146 HydrophobicContact CG1-CB 4.34Å; L118-L146 HydrophobicContact CB-CD2 3.79Å; L124-L146 HydrophobicContact CB-CD1 4.04Å; L124-L146 HydrophobicContact CB-CD2 3.99Å; L124-L146 HydrophobicContact CB-CG 3.85Å; L124-L146 HydrophobicContact CD1-CD2 3.89Å; L124-L146 HydrophobicContact CD1-CG 3.89Å; L124-L146 WeakPolarHBondContact O-CD1 3.44Å; V126-L146 HydrophobicContact CB-CD1 4.45Å; V126-L146 HydrophobicContact CG1-CD1 4.12Å; V126-L146 HydrophobicContact CG2-CD1 3.44Å; V126-L146 VanDerWaalsContact CG2-CD1 3.44Å; R142-L146 WeakPolarHBondContact O-CB 3.28Å; R142-L146 VanDerWaalsContact O-CG 3.31Å; R142-L146 WeakPolarHBondContact O-CG 3.48Å; R142-L146 PolarHBondContact O-N 3.42Å; V143-L146 PolarHBondContact O-N 3.25Å; L146-T148 PolarHBondContact O-N 3.32Å; L146-L149 PolarHBondContact O-N 3.42Å; L146-Y150 WeakPolarHBondContact O-CB 2.98Å; L146-Y150 PolarHBondContact O-N 3.46Å
147K92.6Very high90Very high7 Ų724.2 Ų24.23%0.0313%0.129CC..Hα-helixtrans-58.9-35.9173.2-176.5174.371.2-166.40111.7M83 L84 N93 I94 V143 E144 I145 R151M83-K147 PolarHBondContact O-NZ 3.25Å; L84-K147 HydrophobicContact CD2-CD 4.44Å; N93-K147 VanDerWaalsContact O-CD 3.25Å; N93-K147 WeakPolarHBondContact O-CD 3.48Å; I94-K147 HydrophobicContact CG1-CB 4.23Å; V143-K147 WeakPolarHBondContact O-CB 3.29Å; V143-K147 PolarHBondContact O-N 3.39Å; E144-K147 PolarHBondContact O-N 2.84Å; E144-K147 IonicContact OE1-NZ 3.41Å; E144-K147 PolarHBondContact OE1-NZ 2.86Å; E144-K147 WeakPolarHBondContact OE2-CE 3.47Å; E144-K147 IonicContact OE2-NZ 3.82Å; E144-K147 PolarHBondContact OE2-NZ 3.26Å; I145-K147 PolarHBondContact O-N 3.05Å; K147-R151 VanDerWaalsContact O-CD 3.28Å; K147-R151 WeakPolarHBondContact O-CD 3.29Å; K147-R151 VanDerWaalsContact O-CG 3.31Å; K147-R151 WeakPolarHBondContact O-CG 3.35Å
148T91.3Very high90.7Very high2 Ų221 Ų211%0.01211%0.11CC..Hα-helixtrans-73.3-42.6175.8-62.80000112.2V78 E144 I145 L146 R151 A153 L156V78-T148 HydrophobicContact CG2-CG2 4.37Å; E144-T148 WeakPolarHBondContact O-CB 3.09Å; E144-T148 PolarHBondContact O-N 2.85Å; E144-T148 PolarHBondContact O-OG1 3.47Å; I145-T148 WeakPolarHBondContact O-CB 3.37Å; I145-T148 PolarHBondContact O-N 3.31Å; I145-T148 VanDerWaalsContact O-N 3.16Å; L146-T148 PolarHBondContact O-N 3.32Å; T148-R151 PolarHBondContact O-N 2.84Å; T148-A153 HydrophobicContact CG2-CB 3.58Å; T148-A153 VanDerWaalsContact O-CB 3.29Å; T148-A153 WeakPolarHBondContact O-CB 3.29Å; T148-A153 PolarHBondContact O-N 3.08Å; T148-L156 HydrophobicContact CG2-CD2 3.8Å; T148-L156 HydrophobicContact CG2-CG 4.04Å
149L91.5Very high91.2Very high10 Ų1021 Ų215%0.05211%0.109CC..Hα-helixtrans-71.8-39.6179.1-68.7166.5000113.2Y122 L124 I145 L146 R151 G152 L156 L180Y122-L149 HydrophobicContact CD1-CD1 4.3Å; Y122-L149 HydrophobicContact CD2-CD1 3.8Å; Y122-L149 HydrophobicContact CE1-CD2 4.4Å; Y122-L149 HydrophobicContact CE2-CD1 4.3Å; Y122-L149 HydrophobicContact CE2-CD2 4.48Å; Y122-L149 HydrophobicContact CG-CD1 3.83Å; L124-L149 HydrophobicContact CD1-CD1 3.55Å; I145-L149 HydrophobicContact CG2-CD1 3.81Å; I145-L149 HydrophobicContact CG2-CG 4.38Å; I145-L149 VanDerWaalsContact O-CG 3.3Å; I145-L149 WeakPolarHBondContact O-CG 3.34Å; I145-L149 PolarHBondContact O-N 2.91Å; L146-L149 PolarHBondContact O-N 3.42Å; L149-R151 PolarHBondContact O-N 2.86Å; L149-G152 PolarHBondContact O-N 2.96Å; L149-L156 HydrophobicContact CD2-CD2 4.24Å; L149-L156 HydrophobicContact CG-CD2 4.5Å; L149-L180 HydrophobicContact CD1-CD2 4.06Å; L149-L180 HydrophobicContact CD2-CD2 3.68Å; L149-L180 HydrophobicContact CG-CD2 4.44Å
150Y91.2Very high91.3Very high47 Ų4719.4 Ų19.418%0.18410%0.101CC..Hα-helixtrans-56.9-30.9175.8-175-91.9000112.4I94 I95 E114 I115 L118 L146 G152I94-Y150 HydrophobicContact CG2-CD1 4.16Å; I94-Y150 HydrophobicContact CG2-CD2 3.92Å; I94-Y150 HydrophobicContact CG2-CG 3.66Å; I95-Y150 HydrophobicContact CB-CE1 4.31Å; I95-Y150 HydrophobicContact CG2-CE1 3.81Å; I95-Y150 HydrophobicContact CG2-CE2 4.27Å; E114-Y150 HydrophobicContact CB-CE2 4.07Å; E114-Y150 HydrophobicContact CG-CD2 4.22Å; E114-Y150 HydrophobicContact CG-CE2 3.94Å; I115-Y150 HydrophobicContact CG1-CD2 4.05Å; I115-Y150 HydrophobicContact CG1-CE2 4.13Å; L118-Y150 HydrophobicContact CD1-CD2 3.92Å; L118-Y150 HydrophobicContact CD1-CG 4.46Å; L146-Y150 WeakPolarHBondContact O-CB 2.98Å; L146-Y150 PolarHBondContact O-N 3.46Å; Y150-G152 VanDerWaalsContact C-N 3.3Å
151R89.8Confident91Very high74 Ų7418.1 Ų18.128%0.27910%0.095SC..THydrogen-bonded Turntrans-83.51.2175.8-65.3168.7-179167-1114L96 K147 T148 L149L96-R151 PolarHBondContact O-NH2 3.44Å; K147-R151 VanDerWaalsContact O-CD 3.28Å; K147-R151 WeakPolarHBondContact O-CD 3.29Å; K147-R151 VanDerWaalsContact O-CG 3.31Å; K147-R151 WeakPolarHBondContact O-CG 3.35Å; T148-R151 PolarHBondContact O-N 2.84Å; L149-R151 PolarHBondContact O-N 2.86Å
152G87.7Confident90.7Very high44 Ų4418.2 Ų18.245%0.45410%0.096SC..THydrogen-bonded Turntrans83.228.7175.900000115.4L149 Y150 N154L149-G152 PolarHBondContact O-N 2.96Å; Y150-G152 VanDerWaalsContact C-N 3.3Å; G152-N154 PolarHBondContact O-N 2.94Å
153A91.9Very high89.7Confident5 Ų517.5 Ų17.54%0.04110%0.102CC..  trans-64.8131.7179.400000113.1T148 L156T148-A153 HydrophobicContact CG2-CB 3.58Å; T148-A153 VanDerWaalsContact O-CB 3.29Å; T148-A153 WeakPolarHBondContact O-CB 3.29Å; T148-A153 PolarHBondContact O-N 3.08Å; A153-L156 HydrophobicContact CB-CG 4.26Å
154N92.1Very high88.3Confident93 Ų9319.4 Ų19.450%0.49711%0.114SC..SBendtrans-106.8-32.7172.9-67.3-57.5000111.9G74 G152 K185 S186G74-N154 PolarHBondContact O-N 3.49Å; G152-N154 PolarHBondContact O-N 2.94Å; N154-K185 CarbonylContact O-C 3.05Å; N154-K185 WeakPolarHBondContact O-CA 3.35Å; N154-S186 PolarHBondContact O-N 2.92Å
155V94.5Very high87.1Confident23 Ų2319.5 Ų19.514%0.13911%0.114CC..EExtended strand (participates in β ladder)trans-109.5116.5169.3-178.60000107.4M57 G74 I75 G76 S186 I188M57-V155 HydrophobicContact CE-CG2 4.29Å; G74-V155 PolarHBondContact O-N 3.47Å; I75-V155 HydrophobicContact CG1-CB 4.35Å; G76-V155 PolarHBondContact N-O 3.27Å; V155-S186 CarbonylContact C-O 3.51Å; V155-S186 WeakPolarHBondContact CA-O 3.31Å; V155-I188 HydrophobicContact CG1-CD1 4.15Å; V155-I188 HydrophobicContact CG1-CG1 4.25Å
156L94.8Very high85.8Confident0 Ų021.2 Ų21.20%012%0.124CC..EExtended strand (participates in β ladder)trans-104.8118.7177.1-65.992000109.3T148 L149 A153 F158 L180 K185 S186 I187 I188T148-L156 HydrophobicContact CG2-CD2 3.8Å; T148-L156 HydrophobicContact CG2-CG 4.04Å; L149-L156 HydrophobicContact CD2-CD2 4.24Å; L149-L156 HydrophobicContact CG-CD2 4.5Å; A153-L156 HydrophobicContact CB-CG 4.26Å; L156-F158 HydrophobicContact CB-CD2 4.12Å; L156-F158 HydrophobicContact CB-CE2 3.67Å; L156-F158 HydrophobicContact CD2-CE2 4.1Å; L156-F158 HydrophobicContact CD2-CZ 4.35Å; L156-L180 HydrophobicContact CD2-CD1 4.22Å; L156-K185 HydrophobicContact CD1-CB 3.84Å; L156-K185 HydrophobicContact CD1-CG 4.22Å; L156-S186 PolarHBondContact N-O 3.12Å; L156-I187 WeakPolarHBondContact O-CA 3.47Å; L156-I188 PolarHBondContact O-N 3.19Å
157I94.8Very high84.5Confident0 Ų023 Ų230%014%0.136CC..EExtended strand (participates in β ladder)trans-90115.7169.5-53.7170.2000107M41 L44 I75 G76 M77 V78 I188M41-I157 HydrophobicContact CB-CD1 4.46Å; M41-I157 HydrophobicContact CB-CG2 3.92Å; M41-I157 HydrophobicContact CG-CG2 3.68Å; M41-I157 HydrophobicContact SD-CD1 3.91Å; M41-I157 HydrophobicContact SD-CG1 4.1Å; M41-I157 HydrophobicContact SD-CG2 3.79Å; L44-I157 HydrophobicContact CB-CD1 4.12Å; L44-I157 HydrophobicContact CD2-CD1 3.92Å; L44-I157 HydrophobicContact CD2-CG1 4.42Å; L44-I157 HydrophobicContact CG-CD1 4.04Å; I75-I157 HydrophobicContact CG2-CD1 4Å; G76-I157 PolarHBondContact O-N 2.72Å; M77-I157 CarbonylContact C-O 3.57Å; M77-I157 WeakPolarHBondContact CA-O 3.21Å; M77-I157 HydrophobicContact CB-CB 4.34Å; M77-I157 HydrophobicContact CG-CB 4.15Å; M77-I157 HydrophobicContact CG-CG2 4.25Å; V78-I157 PolarHBondContact N-O 3.1Å; I157-I188 CarbonylContact C-O 3.57Å; I157-I188 WeakPolarHBondContact CA-O 3.42Å; I157-I188 HydrophobicContact CG1-CB 4.49Å; I157-I188 HydrophobicContact CG1-CD1 4.28Å
158F93Very high83.4Confident0 Ų026.7 Ų26.70%015%0.154CC..EExtended strand (participates in β ladder)trans-99.6105165.8-70.8-106.4000106.8V78 I145 L156 P161 L173 M177 L180 I187 I188 L189 I190V78-F158 HydrophobicContact CB-CD1 3.88Å; V78-F158 HydrophobicContact CB-CE1 4.14Å; V78-F158 HydrophobicContact CB-CG 4.21Å; V78-F158 HydrophobicContact CG1-CD1 3.7Å; V78-F158 HydrophobicContact CG1-CE1 3.96Å; V78-F158 HydrophobicContact CG1-CG 4.45Å; V78-F158 HydrophobicContact CG2-CD1 4.3Å; V78-F158 HydrophobicContact CG2-CE1 4.06Å; V78-F158 HydrophobicContact CG2-CZ 4.24Å; I145-F158 HydrophobicContact CD1-CE1 3.81Å; I145-F158 HydrophobicContact CD1-CZ 4.22Å; I145-F158 HydrophobicContact CG1-CE1 3.73Å; I145-F158 HydrophobicContact CG1-CZ 4.03Å; L156-F158 HydrophobicContact CB-CD2 4.12Å; L156-F158 HydrophobicContact CB-CE2 3.67Å; L156-F158 HydrophobicContact CD2-CE2 4.1Å; L156-F158 HydrophobicContact CD2-CZ 4.35Å; F158-P161 HydrophobicContact CB-CG 4.03Å; F158-P161 HydrophobicContact CD1-CB 4.3Å; F158-P161 HydrophobicContact CD1-CG 4.42Å; F158-L173 HydrophobicContact CE1-CD1 4.07Å; F158-M177 HydrophobicContact CZ-CG 4.45Å; F158-L180 HydrophobicContact CZ-CD1 4.34Å; F158-I187 HydrophobicContact CD2-CG2 3.89Å; F158-I187 HydrophobicContact CE2-CD1 4.41Å; F158-I187 HydrophobicContact CE2-CG1 4.47Å; F158-I187 HydrophobicContact CE2-CG2 4.27Å; F158-I188 PolarHBondContact N-O 2.98Å; F158-L189 HydrophobicContact CB-CD1 4.13Å; F158-I190 PolarHBondContact O-N 2.86Å
159D89.5Confident82.5Confident2 Ų228.8 Ų28.81%0.01116%0.163CC..  trans-77.5124.6168.3-162.4-12.9000108.2S38 M77 V78 Q80 P161 I190 L496S38-D159 WeakPolarHBondContact CB-OD2 3.35Å; S38-D159 PolarHBondContact OG-OD1 2.93Å; S38-D159 PolarHBondContact OG-OD2 2.81Å; M77-D159 HydrophobicContact CE-CB 3.94Å; V78-D159 PolarHBondContact O-N 3.44Å; V78-D159 VanDerWaalsContact O-N 3.13Å; Q80-D159 WeakPolarHBondContact CB-O 3.4Å; D159-P161 WeakPolarHBondContact O-CD 3.3Å; D159-I190 HydrophobicContact CB-CD1 3.96Å; D159-I190 HydrophobicContact CB-CG1 4.37Å; D159-I190 WeakPolarHBondContact OD1-CB 3.47Å; D159-I190 VanDerWaalsContact OD1-CD1 3.31Å; D159-I190 WeakPolarHBondContact OD1-CD1 3.34Å; D159-L496 HydrophobicContact CB-CD2 3.64Å
160E86.1Confident81.9Confident11 Ų1129.1 Ų29.15%0.05117%0.165CC..SBendtrans32.451.2171.2-63.8-96.7-171.300115.8K37 Q80 T162 I190 T191 H192K37-E160 WeakPolarHBondContact CE-OE1 3.32Å; K37-E160 IonicContact NZ-OE1 2.78Å; K37-E160 PolarHBondContact NZ-OE1 2.96Å; Q80-E160 HydrophobicContact CB-CB 4.4Å; Q80-E160 WeakPolarHBondContact CB-O 3.16Å; Q80-E160 VanDerWaalsContact CD-CB 3.49Å; Q80-E160 HydrophobicContact CG-CB 4.37Å; Q80-E160 WeakPolarHBondContact CG-O 2.96Å; Q80-E160 PolarHBondContact NE2-O 3.46Å; E160-T162 PolarHBondContact O-N 2.95Å; E160-I190 WeakPolarHBondContact CA-O 3.39Å; E160-I190 HydrophobicContact CG-CB 4.26Å; E160-I190 HydrophobicContact CG-CG2 3.92Å; E160-I190 PolarHBondContact N-O 2.84Å; E160-T191 VanDerWaalsContact CD-CA 3.49Å; E160-T191 VanDerWaalsContact OE2-CA 3.28Å; E160-T191 WeakPolarHBondContact OE2-CA 3.29Å; E160-H192 PolarHBondContact OE1-N 3.48Å; E160-H192 IonicContact OE1-ND1 2.95Å; E160-H192 IonicContact OE2-CE1 3.13Å; E160-H192 IonicContact OE2-CG 3.58Å; E160-H192 PolarHBondContact OE2-N 3.11Å; E160-H192 IonicContact OE2-ND1 3.73Å; E160-H192 PolarHBondContact OE2-ND1 2.88Å
161P83.7Confident81.4Confident2 Ų230.4 Ų30.41%0.01318%0.175CC..  trans-628.6-16325.8-35.2000116.7F158 D159 L165 L173 L189 Y494F158-P161 HydrophobicContact CB-CG 4.03Å; F158-P161 HydrophobicContact CD1-CB 4.3Å; F158-P161 HydrophobicContact CD1-CG 4.42Å; D159-P161 WeakPolarHBondContact O-CD 3.3Å; P161-L165 WeakPolarHBondContact O-CD1 3.14Å; P161-L173 HydrophobicContact CB-CD2 3.85Å; P161-L173 HydrophobicContact CG-CD2 4.13Å; P161-L189 VanDerWaalsContact CD-CD1 3.48Å; P161-L189 HydrophobicContact CG-CD1 3.5Å; P161-Y494 WeakPolarHBondContact O-CD1 3.49Å
162T79.1Confident81Confident5 Ų531 Ų313%0.03118%0.181CC..  trans-138.346.1-153.849.60000119.3E160 L165 I170 K193 E196 G493E160-T162 PolarHBondContact O-N 2.95Å; T162-L165 HydrophobicContact CG2-CD1 4.41Å; T162-I170 HydrophobicContact CG2-CD1 4.33Å; T162-I170 HydrophobicContact CG2-CG1 4.28Å; T162-K193 WeakPolarHBondContact O-CE 3.34Å; T162-K193 PolarHBondContact O-NZ 2.9Å; T162-E196 WeakPolarHBondContact CB-OE1 3.35Å; T162-E196 WeakPolarHBondContact CG2-OE1 3.36Å; T162-E196 PolarHBondContact OG1-OE1 3.15Å; T162-E196 PolarHBondContact OG1-OE2 3.13Å; T162-G493 CarbonylContact C-O 3.45Å; T162-G493 VanDerWaalsContact CA-C 3.46Å; T162-G493 WeakPolarHBondContact CA-O 3.42Å; T162-G493 CarbonylContact O-C 3.57Å
163A69.5Low81Confident40 Ų4029.2 Ų29.233%0.33116%0.161SC..SBendtrans-115.7-8.516200000126.6G493 Y494A163-G493 PolarHBondContact N-O 3.16Å; A163-G493 WeakPolarHBondContact O-CA 3.47Å; A163-Y494 VanDerWaalsContact C-N 3.34Å; A163-Y494 CarbonylContact C-O 3.6Å; A163-Y494 WeakPolarHBondContact CA-O 3.43Å; A163-Y494 WeakPolarHBondContact CB-O 3.32Å; A163-Y494 VanDerWaalsContact N-C 3.31Å; A163-Y494 PolarHBondContact N-O 3.16Å
164V64.5Low80.8Confident40 Ų4030 Ų3024%0.24216%0.164CC..SBendtrans-145.40147.6-74.70000122.5Y494V164-Y494 PolarHBondContact N-O 2.79Å; V164-Y494 WeakPolarHBondContact O-CB 3.47Å; V164-Y494 WeakPolarHBondContact O-CD2 3.36Å
165L66.7Low80.5Confident2 Ų229.8 Ų29.81%0.0117%0.167CC..SBend088.40-133.3-169.6000127.6P161 T162 E169 I170 L173 A492 G493 Y494P161-L165 WeakPolarHBondContact O-CD1 3.14Å; T162-L165 HydrophobicContact CG2-CD1 4.41Å; L165-E169 HydrophobicContact CD2-CB 3.1Å; L165-E169 HydrophobicContact CD2-CG 4.33Å; L165-E169 HydrophobicContact CG-CB 4.33Å; L165-I170 HydrophobicContact CD1-CG1 4.33Å; L165-I170 HydrophobicContact CD2-CG1 3.84Å; L165-I170 VanDerWaalsContact CD2-N 3.26Å; L165-L173 HydrophobicContact CD1-CD2 3.84Å; L165-A492 CarbonylContact C-O 3.56Å; L165-A492 CarbonylContact O-C 3.52Å; L165-A492 VanDerWaalsContact O-CB 3.27Å; L165-A492 WeakPolarHBondContact O-CB 3.31Å; L165-G493 WeakPolarHBondContact CB-O 3.36Å; L165-G493 CarbonylContact O-C 3.6Å; L165-G493 WeakPolarHBondContact O-CA 3.49Å; L165-G493 PolarHBondContact O-N 3.12Å; L165-Y494 HydrophobicContact CB-CD1 3.75Å; L165-Y494 HydrophobicContact CB-CD2 3.38Å; L165-Y494 HydrophobicContact CB-CE1 3.83Å; L165-Y494 HydrophobicContact CB-CE2 3.49Å; L165-Y494 VanDerWaalsContact CB-CE2 3.49Å; L165-Y494 HydrophobicContact CB-CG 3.47Å; L165-Y494 VanDerWaalsContact CB-CG 3.47Å; L165-Y494 HydrophobicContact CD1-CD1 3.9Å; L165-Y494 HydrophobicContact CD1-CE1 3.34Å; L165-Y494 HydrophobicContact CD1-CE2 4.25Å; L165-Y494 HydrophobicContact CD1-CG 4.5Å; L165-Y494 HydrophobicContact CG-CD1 3.96Å; L165-Y494 HydrophobicContact CG-CD2 3.88Å; L165-Y494 HydrophobicContact CG-CE1 3.5Å; L165-Y494 VanDerWaalsContact CG-CE1 3.5Å; L165-Y494 HydrophobicContact CG-CE2 3.42Å; L165-Y494 VanDerWaalsContact CG-CE2 3.42Å; L165-Y494 HydrophobicContact CG-CG 4.1Å; L165-Y494 WeakPolarHBondContact CG-OH 3.43Å
166T65.7Low80.3Confident37 Ų3730 Ų3023%0.22717%0.167CC..  trans-64.6155.4-173.464.40000115.3Q168 E169 I170 A492T166-Q168 VanDerWaalsContact C-N 3.26Å; T166-Q168 PolarHBondContact O-N 3.29Å; T166-E169 WeakPolarHBondContact CB-OE2 3.39Å; T166-E169 PolarHBondContact N-OE2 3.2Å; T166-E169 CarbonylContact O-C 3.51Å; T166-E169 WeakPolarHBondContact O-CA 3.43Å; T166-E169 WeakPolarHBondContact O-CB 3.48Å; T166-E169 PolarHBondContact O-N 3.07Å; T166-E169 VanDerWaalsContact OG1-CD 3.27Å; T166-E169 VanDerWaalsContact OG1-CG 3.28Å; T166-E169 WeakPolarHBondContact OG1-CG 3.43Å; T166-E169 PolarHBondContact OG1-OE2 2.77Å; T166-I170 WeakPolarHBondContact O-CG1 3.04Å; T166-I170 PolarHBondContact O-N 2.84Å; T166-A492 WeakPolarHBondContact CA-O 3.49Å; T166-A492 PolarHBondContact N-O 2.92Å; T166-A492 VanDerWaalsContact N-O 3.08Å
167P64.3Low80.1Confident40 Ų4030.3 Ų30.326%0.2617%0.168SC..Hα-helixtrans-60.5-31-175.9-2840000114.8I170 D171 G488 A492P167-I170 WeakPolarHBondContact O-CB 3.21Å; P167-I170 PolarHBondContact O-N 2.91Å; P167-D171 PolarHBondContact O-N 3.49Å; P167-G488 WeakPolarHBondContact CG-O 3.48Å; P167-A492 HydrophobicContact CG-CB 3.89Å
168Q69Low79.8Confident84 Ų8435.2 Ų35.239%0.39319%0.191SC..Hα-helixtrans-63.3-48.7172.2-59.792.3-55.500111.1T166 I170 D171 E172 L489T166-Q168 VanDerWaalsContact C-N 3.26Å; T166-Q168 PolarHBondContact O-N 3.29Å; Q168-I170 VanDerWaalsContact C-N 3.27Å; Q168-I170 PolarHBondContact O-N 2.93Å; Q168-D171 PolarHBondContact O-N 2.71Å; Q168-E172 PolarHBondContact O-N 3.02Å; Q168-L489 HydrophobicContact CG-CD2 3.79Å; Q168-L489 PolarHBondContact NE2-O 2.85Å; Q168-L489 PolarHBondContact OE1-O 2.98Å
169E73.9Confident79.6Confident45 Ų4536.8 Ų36.821%0.2121%0.207CC..Hα-helixtrans-68.5-24.4174.9-67.3169.3129.800111.4G138 L165 T166 E172 L173G138-E169 VanDerWaalsContact CA-OE1 3.26Å; G138-E169 WeakPolarHBondContact CA-OE1 3.44Å; L165-E169 HydrophobicContact CD2-CB 3.1Å; L165-E169 HydrophobicContact CD2-CG 4.33Å; L165-E169 HydrophobicContact CG-CB 4.33Å; T166-E169 WeakPolarHBondContact CB-OE2 3.39Å; T166-E169 PolarHBondContact N-OE2 3.2Å; T166-E169 CarbonylContact O-C 3.51Å; T166-E169 WeakPolarHBondContact O-CA 3.43Å; T166-E169 WeakPolarHBondContact O-CB 3.48Å; T166-E169 PolarHBondContact O-N 3.07Å; T166-E169 VanDerWaalsContact OG1-CD 3.27Å; T166-E169 VanDerWaalsContact OG1-CG 3.28Å; T166-E169 WeakPolarHBondContact OG1-CG 3.43Å; T166-E169 PolarHBondContact OG1-OE2 2.77Å; E169-E172 WeakPolarHBondContact O-CB 3.45Å; E169-E172 PolarHBondContact O-N 3.41Å; E169-L173 WeakPolarHBondContact O-CB 3.46Å; E169-L173 PolarHBondContact O-N 3.02Å
170I79.3Confident79.7Confident17 Ų1736.7 Ų36.79%0.08721%0.207CC..Hα-helixtrans-65-50170-67.5179.1000108.8T162 L165 T166 P167 Q168 E172 L173 I174 A492T162-I170 HydrophobicContact CG2-CD1 4.33Å; T162-I170 HydrophobicContact CG2-CG1 4.28Å; L165-I170 HydrophobicContact CD1-CG1 4.33Å; L165-I170 HydrophobicContact CD2-CG1 3.84Å; L165-I170 VanDerWaalsContact CD2-N 3.26Å; T166-I170 WeakPolarHBondContact O-CG1 3.04Å; T166-I170 PolarHBondContact O-N 2.84Å; P167-I170 WeakPolarHBondContact O-CB 3.21Å; P167-I170 PolarHBondContact O-N 2.91Å; Q168-I170 VanDerWaalsContact C-N 3.27Å; Q168-I170 PolarHBondContact O-N 2.93Å; I170-E172 VanDerWaalsContact C-N 3.26Å; I170-E172 PolarHBondContact O-N 2.78Å; I170-L173 CarbonylContact O-C 3.55Å; I170-L173 WeakPolarHBondContact O-CA 3.42Å; I170-L173 WeakPolarHBondContact O-CB 3.36Å; I170-L173 PolarHBondContact O-N 3.12Å; I170-I174 HydrophobicContact CG2-CD1 4.15Å; I170-I174 HydrophobicContact CG2-CG1 4.46Å; I170-I174 WeakPolarHBondContact O-CG1 3.46Å; I170-I174 PolarHBondContact O-N 3.08Å; I170-A492 HydrophobicContact CD1-CB 4.4Å
171D79.6Confident80Confident75 Ų7537.9 Ų37.940%0.40121%0.213SC..Hα-helixtrans-66-29.4178.2-69.7-27.9000111.7P167 Q168 T175 K199P167-D171 PolarHBondContact O-N 3.49Å; Q168-D171 PolarHBondContact O-N 2.71Å; D171-T175 PolarHBondContact O-N 2.65Å; D171-T175 PolarHBondContact O-OG1 2.89Å; D171-K199 IonicContact OD1-NZ 3.31Å; D171-K199 PolarHBondContact OD1-NZ 3.11Å; D171-K199 IonicContact OD2-NZ 3.65Å
172E81.4Confident80.1Confident86 Ų8644.2 Ų44.240%0.40225%0.247SC..Hα-helixtrans-63.8-45.3165.3-69.3-172.8157.200112.5R142 Q168 E169 I170 I174 T175 I176R142-E172 IonicContact CZ-OE2 3.72Å; R142-E172 IonicContact NH2-OE1 2.65Å; R142-E172 PolarHBondContact NH2-OE1 2.83Å; R142-E172 IonicContact NH2-OE2 3.53Å; R142-E172 PolarHBondContact NH2-OE2 3.26Å; Q168-E172 PolarHBondContact O-N 3.02Å; E169-E172 WeakPolarHBondContact O-CB 3.45Å; E169-E172 PolarHBondContact O-N 3.41Å; I170-E172 VanDerWaalsContact C-N 3.26Å; I170-E172 PolarHBondContact O-N 2.78Å; E172-I174 VanDerWaalsContact C-N 3.29Å; E172-I174 PolarHBondContact O-N 2.97Å; E172-T175 WeakPolarHBondContact O-CB 3.3Å; E172-T175 PolarHBondContact O-N 3.07Å; E172-T175 VanDerWaalsContact O-N 3.16Å; E172-I176 WeakPolarHBondContact O-CG1 3.5Å; E172-I176 PolarHBondContact O-N 3.32Å
173L87.5Confident80.5Confident7 Ų749.5 Ų49.54%0.03727%0.271CS..Hα-helixtrans-62.1-37.7176.9177.364.1000111.5I145 F158 P161 L165 E169 I170 I176 M177I145-L173 HydrophobicContact CD1-CD1 3.77Å; F158-L173 HydrophobicContact CE1-CD1 4.07Å; P161-L173 HydrophobicContact CB-CD2 3.85Å; P161-L173 HydrophobicContact CG-CD2 4.13Å; L165-L173 HydrophobicContact CD1-CD2 3.84Å; E169-L173 WeakPolarHBondContact O-CB 3.46Å; E169-L173 PolarHBondContact O-N 3.02Å; I170-L173 CarbonylContact O-C 3.55Å; I170-L173 WeakPolarHBondContact O-CA 3.42Å; I170-L173 WeakPolarHBondContact O-CB 3.36Å; I170-L173 PolarHBondContact O-N 3.12Å; L173-I176 WeakPolarHBondContact O-CB 3.37Å; L173-I176 PolarHBondContact O-N 3.05Å; L173-M177 HydrophobicContact CG-CE 4.34Å; L173-M177 WeakPolarHBondContact O-CG 3.39Å; L173-M177 PolarHBondContact O-N 2.84Å
174I87.9Confident81.5Confident20 Ų2049 Ų4910%0.10327%0.271CS..Hα-helixtrans-59.3-49.7172.1-68.5178.3000110.1I170 E172 I176 M177 E178 K199 V200I170-I174 HydrophobicContact CG2-CD1 4.15Å; I170-I174 HydrophobicContact CG2-CG1 4.46Å; I170-I174 WeakPolarHBondContact O-CG1 3.46Å; I170-I174 PolarHBondContact O-N 3.08Å; E172-I174 VanDerWaalsContact C-N 3.29Å; E172-I174 PolarHBondContact O-N 2.97Å; I174-I176 VanDerWaalsContact C-N 3.28Å; I174-I176 PolarHBondContact O-N 2.87Å; I174-M177 HydrophobicContact CG1-CE 4.16Å; I174-M177 PolarHBondContact O-N 3.48Å; I174-E178 PolarHBondContact O-N 3.18Å; I174-K199 HydrophobicContact CD1-CB 4.12Å; I174-K199 HydrophobicContact CD1-CD 3.57Å; I174-K199 HydrophobicContact CD1-CG 4.5Å; I174-V200 HydrophobicContact CB-CG1 3.98Å; I174-V200 HydrophobicContact CD1-CG1 3.79Å; I174-V200 HydrophobicContact CG1-CG1 3.55Å; I174-V200 HydrophobicContact CG2-CG1 3.45Å; I174-V200 VanDerWaalsContact CG2-CG1 3.45Å
175T86.7Confident82.9Confident90 Ų9048.1 Ų48.155%0.55226%0.263SS*.Hα-helixtrans-58.2-39.3176.8-520000112D171 E172 G179D171-T175 PolarHBondContact O-N 2.65Å; D171-T175 PolarHBondContact O-OG1 2.89Å; E172-T175 WeakPolarHBondContact O-CB 3.3Å; E172-T175 PolarHBondContact O-N 3.07Å; E172-T175 VanDerWaalsContact O-N 3.16Å; T175-G179 PolarHBondContact O-N 3.14Å
176I89.3Confident84.2Confident28 Ų2848.4 Ų48.414%0.14427%0.265CS..Hα-helixtrans-64.6-43.2174.6-72.7159.6000111.5L124 I145 E172 L173 I174 G179 L180L124-I176 HydrophobicContact CD2-CD1 3.68Å; L124-I176 HydrophobicContact CD2-CG1 4.02Å; L124-I176 HydrophobicContact CD2-CG2 3.85Å; I145-I176 HydrophobicContact CD1-CG2 4.15Å; E172-I176 WeakPolarHBondContact O-CG1 3.5Å; E172-I176 PolarHBondContact O-N 3.32Å; L173-I176 WeakPolarHBondContact O-CB 3.37Å; L173-I176 PolarHBondContact O-N 3.05Å; I174-I176 VanDerWaalsContact C-N 3.28Å; I174-I176 PolarHBondContact O-N 2.87Å; I176-G179 PolarHBondContact O-N 3.34Å; I176-L180 HydrophobicContact CG2-CD1 4.07Å; I176-L180 WeakPolarHBondContact O-CG 3.43Å; I176-L180 PolarHBondContact O-N 2.79Å
177M91Very high85.7Confident6 Ų646.6 Ų46.63%0.0326%0.255CS..Hα-helixtrans-64.9-41.8177.6-71.5-171.3-65.400111.8I26 F158 L173 I174 L180 I181 I187 V200I26-M177 HydrophobicContact CD1-CB 4.23Å; F158-M177 HydrophobicContact CZ-CG 4.45Å; L173-M177 HydrophobicContact CG-CE 4.34Å; L173-M177 WeakPolarHBondContact O-CG 3.39Å; L173-M177 PolarHBondContact O-N 2.84Å; I174-M177 HydrophobicContact CG1-CE 4.16Å; I174-M177 PolarHBondContact O-N 3.48Å; M177-L180 PolarHBondContact O-N 3.1Å; M177-I181 WeakPolarHBondContact O-CG1 3.43Å; M177-I181 PolarHBondContact O-N 3.02Å; M177-I187 HydrophobicContact CB-CD1 3.69Å; M177-I187 HydrophobicContact CG-CD1 3.86Å; M177-I187 HydrophobicContact SD-CG2 4.38Å; M177-V200 HydrophobicContact CE-CG1 4.26Å; M177-V200 HydrophobicContact CE-CG2 4.05Å
178E88.8Confident87.2Confident102 Ų10244.8 Ų44.848%0.47724%0.242SC..Hα-helixtrans-60.5-44.7173.1-69.4-178.9173.400111.7I174 L180 I181 N182I174-E178 PolarHBondContact O-N 3.18Å; E178-L180 VanDerWaalsContact C-N 3.32Å; E178-L180 PolarHBondContact O-N 3.05Å; E178-I181 PolarHBondContact O-N 3.47Å; E178-N182 PolarHBondContact O-N 2.76Å; E178-N182 PolarHBondContact O-ND2 2.91Å
179G88.9Confident88.4Confident33 Ų3341 Ų4134%0.3423%0.225SC..Hα-helixtrans-57.4-42.5173.900000113T175 I176 N182 E183T175-G179 PolarHBondContact O-N 3.14Å; I176-G179 PolarHBondContact O-N 3.34Å; G179-N182 PolarHBondContact O-N 2.81Å; G179-E183 PolarHBondContact O-N 3.31Å; G179-E183 VanDerWaalsContact O-N 3.12Å
180L91.5Very high89.2Confident1 Ų138.8 Ų38.81%0.00522%0.215CC..Hα-helixtrans-64.7-38.4176.8-74.4167.1000113.3Y122 I145 L149 L156 F158 I176 M177 E178 E183 K185 I187Y122-L180 HydrophobicContact CD1-CD2 3.56Å; Y122-L180 HydrophobicContact CD1-CG 4.5Å; Y122-L180 HydrophobicContact CE1-CD2 3.84Å; Y122-L180 HydrophobicContact CG-CD2 4.4Å; I145-L180 HydrophobicContact CG2-CD1 4.28Å; L149-L180 HydrophobicContact CD1-CD2 4.06Å; L149-L180 HydrophobicContact CD2-CD2 3.68Å; L149-L180 HydrophobicContact CG-CD2 4.44Å; L156-L180 HydrophobicContact CD2-CD1 4.22Å; F158-L180 HydrophobicContact CZ-CD1 4.34Å; I176-L180 HydrophobicContact CG2-CD1 4.07Å; I176-L180 WeakPolarHBondContact O-CG 3.43Å; I176-L180 PolarHBondContact O-N 2.79Å; M177-L180 PolarHBondContact O-N 3.1Å; E178-L180 VanDerWaalsContact C-N 3.32Å; E178-L180 PolarHBondContact O-N 3.05Å; L180-E183 PolarHBondContact O-N 2.74Å; L180-K185 HydrophobicContact CB-CB 4.45Å; L180-K185 HydrophobicContact CB-CG 4.48Å; L180-K185 HydrophobicContact CD2-CG 4.21Å; L180-K185 WeakPolarHBondContact O-CB 3.33Å; L180-K185 WeakPolarHBondContact O-CG 3.41Å; L180-K185 PolarHBondContact O-N 3.4Å; L180-K185 VanDerWaalsContact O-N 3.13Å; L180-I187 HydrophobicContact CB-CD1 4.19Å
181I91.9Very high89.4Confident35 Ų3538 Ų3818%0.17921%0.211CC..Hα-helixtrans-67.6-38.3174.9-65.8-61.2000111.4I26 M177 E178 E183 G184 K185 I187I26-I181 HydrophobicContact CD1-CG1 3.96Å; I26-I181 HydrophobicContact CG1-CD1 3.84Å; I26-I181 HydrophobicContact CG1-CG1 3.59Å; M177-I181 WeakPolarHBondContact O-CG1 3.43Å; M177-I181 PolarHBondContact O-N 3.02Å; E178-I181 PolarHBondContact O-N 3.47Å; I181-E183 VanDerWaalsContact C-N 3.3Å; I181-E183 PolarHBondContact O-N 3.48Å; I181-G184 WeakPolarHBondContact O-CA 3.39Å; I181-G184 PolarHBondContact O-N 2.74Å; I181-K185 WeakPolarHBondContact CD1-O 3.31Å; I181-I187 HydrophobicContact CD1-CB 4.28Å; I181-I187 HydrophobicContact CD1-CD1 4.06Å; I181-I187 HydrophobicContact CD1-CG1 3.89Å; I181-I187 HydrophobicContact CG1-CD1 4.07Å; I181-I187 HydrophobicContact CG1-CG1 4.46Å
182N86.9Confident89.3Confident136 Ų13636.5 Ų36.573%0.72720%0.201SC*.Hα-helixtrans-61.7-36.6174.9-74.4-59.5000112.3E178 G179 G184E178-N182 PolarHBondContact O-N 2.76Å; E178-N182 PolarHBondContact O-ND2 2.91Å; G179-N182 PolarHBondContact O-N 2.81Å; N182-G184 PolarHBondContact O-N 2.88Å; N182-G184 VanDerWaalsContact O-N 3.11Å
183E87Confident89.2Confident115 Ų11535.5 Ų35.554%0.53720%0.195SC..THydrogen-bonded Turntrans-75.316.7169.9-70.4-59.5145.500113.9Y122 G179 L180 I181 K185Y122-E183 HydrophobicContact CD1-CG 4.5Å; Y122-E183 HydrophobicContact CE1-CB 4.05Å; Y122-E183 HydrophobicContact CE1-CG 3.96Å; G179-E183 PolarHBondContact O-N 3.31Å; G179-E183 VanDerWaalsContact O-N 3.12Å; L180-E183 PolarHBondContact O-N 2.74Å; I181-E183 VanDerWaalsContact C-N 3.3Å; I181-E183 PolarHBondContact O-N 3.48Å; E183-K185 PolarHBondContact O-N 2.79Å
184G89.8Confident89Confident31 Ų3135.8 Ų35.832%0.3220%0.197SC..THydrogen-bonded Turntrans70.514.1172.400000115.2K23 I181 N182K23-G184 VanDerWaalsContact CE-O 3.31Å; K23-G184 WeakPolarHBondContact CE-O 3.42Å; I181-G184 WeakPolarHBondContact O-CA 3.39Å; I181-G184 PolarHBondContact O-N 2.74Å; N182-G184 PolarHBondContact O-N 2.88Å; N182-G184 VanDerWaalsContact O-N 3.11Å
185K93.6Very high88.5Confident20 Ų2039.7 Ų39.79%0.08722%0.218CC..  trans-73.2171170.2-45.9-60.5169.867.90109.8G24 Y122 N154 L156 L180 I181 E183G24-K185 WeakPolarHBondContact CA-O 3.39Å; Y122-K185 PolarHBondContact OH-NZ 2.95Å; N154-K185 CarbonylContact O-C 3.05Å; N154-K185 WeakPolarHBondContact O-CA 3.35Å; L156-K185 HydrophobicContact CD1-CB 3.84Å; L156-K185 HydrophobicContact CD1-CG 4.22Å; L180-K185 HydrophobicContact CB-CB 4.45Å; L180-K185 HydrophobicContact CB-CG 4.48Å; L180-K185 HydrophobicContact CD2-CG 4.21Å; L180-K185 WeakPolarHBondContact O-CB 3.33Å; L180-K185 WeakPolarHBondContact O-CG 3.41Å; L180-K185 PolarHBondContact O-N 3.4Å; L180-K185 VanDerWaalsContact O-N 3.13Å; I181-K185 WeakPolarHBondContact CD1-O 3.31Å; E183-K185 PolarHBondContact O-N 2.79Å
186S95.3Very high88.3Confident8 Ų836.5 Ų36.56%0.05620%0.197CC..EExtended strand (participates in β ladder)trans-133140.1177.2-44.80000109.1K23 G24 N154 V155 L156K23-S186 WeakPolarHBondContact CA-OG 3.49Å; G24-S186 PolarHBondContact N-OG 3.09Å; N154-S186 PolarHBondContact O-N 2.92Å; V155-S186 CarbonylContact C-O 3.51Å; V155-S186 WeakPolarHBondContact CA-O 3.31Å; L156-S186 PolarHBondContact N-O 3.12Å
187I96.1Very high88.1Confident0 Ų035.2 Ų35.20%019%0.19CC..EExtended strand (participates in β ladder)trans-119.8133.2-170.1-64.9177.6000110.4E25 I26 H27 L156 F158 M177 L180 I181E25-I187 PolarHBondContact O-N 2.76Å; E25-I187 VanDerWaalsContact O-N 3.1Å; I26-I187 HydrophobicContact CD1-CD1 4.49Å; I26-I187 HydrophobicContact CG1-CB 4.24Å; I26-I187 HydrophobicContact CG1-CD1 4.45Å; I26-I187 HydrophobicContact CG2-CB 4.37Å; I26-I187 HydrophobicContact CG2-CG2 4.14Å; H27-I187 PolarHBondContact N-O 2.75Å; L156-I187 WeakPolarHBondContact O-CA 3.47Å; F158-I187 HydrophobicContact CD2-CG2 3.89Å; F158-I187 HydrophobicContact CE2-CD1 4.41Å; F158-I187 HydrophobicContact CE2-CG1 4.47Å; F158-I187 HydrophobicContact CE2-CG2 4.27Å; M177-I187 HydrophobicContact CB-CD1 3.69Å; M177-I187 HydrophobicContact CG-CD1 3.86Å; M177-I187 HydrophobicContact SD-CG2 4.38Å; L180-I187 HydrophobicContact CB-CD1 4.19Å; I181-I187 HydrophobicContact CD1-CB 4.28Å; I181-I187 HydrophobicContact CD1-CD1 4.06Å; I181-I187 HydrophobicContact CD1-CG1 3.89Å; I181-I187 HydrophobicContact CG1-CD1 4.07Å; I181-I187 HydrophobicContact CG1-CG1 4.46Å
188I95.9Very high87.8Confident1 Ų138 Ų381%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-110.4111166.8-48-178.7000107.4I21 H27 M41 L44 V155 L156 I157 F158I21-I188 HydrophobicContact CD1-CD1 3.9Å; I21-I188 HydrophobicContact CD1-CG1 3.93Å; I21-I188 HydrophobicContact CG1-CD1 3.71Å; I21-I188 HydrophobicContact CG1-CG1 4.02Å; I21-I188 HydrophobicContact CG2-CG1 4.32Å; H27-I188 WeakPolarHBondContact O-CA 3.17Å; M41-I188 HydrophobicContact SD-CB 4.44Å; M41-I188 HydrophobicContact SD-CD1 4.02Å; M41-I188 HydrophobicContact SD-CG2 3.85Å; L44-I188 HydrophobicContact CD2-CD1 3.49Å; L44-I188 VanDerWaalsContact CD2-CD1 3.49Å; V155-I188 HydrophobicContact CG1-CD1 4.15Å; V155-I188 HydrophobicContact CG1-CG1 4.25Å; L156-I188 PolarHBondContact O-N 3.19Å; I157-I188 CarbonylContact C-O 3.57Å; I157-I188 WeakPolarHBondContact CA-O 3.42Å; I157-I188 HydrophobicContact CG1-CB 4.49Å; I157-I188 HydrophobicContact CG1-CD1 4.28Å; F158-I188 PolarHBondContact N-O 2.98Å
189L93.9Very high87.6Confident4 Ų439.1 Ų39.12%0.02121%0.205CC..EExtended strand (participates in β ladder)trans-100.5106.2-179.9177.564.5000109.3H27 A28 L29 F158 P161 T191 V200H27-L189 PolarHBondContact O-N 3.2Å; A28-L189 CarbonylContact C-O 3.58Å; A28-L189 WeakPolarHBondContact CA-O 3.26Å; L29-L189 PolarHBondContact N-O 2.91Å; F158-L189 HydrophobicContact CB-CD1 4.13Å; P161-L189 VanDerWaalsContact CD-CD1 3.48Å; P161-L189 HydrophobicContact CG-CD1 3.5Å; L189-T191 HydrophobicContact CD2-CG2 4.25Å; L189-T191 HydrophobicContact CG-CG2 4.22Å; L189-V200 HydrophobicContact CD2-CG2 3.75Å
190I91.3Very high87.6Confident0 Ų038.4 Ų38.40%020%0.195CC..EExtended strand (participates in β ladder)trans-75.4131.8162.3-43.3-173.1000107L29 K37 M41 F158 D159 E160L29-I190 HydrophobicContact CB-CG1 4.33Å; L29-I190 HydrophobicContact CD2-CD1 4.43Å; L29-I190 HydrophobicContact CD2-CG1 4.31Å; L29-I190 WeakPolarHBondContact O-CG2 3.49Å; K37-I190 HydrophobicContact CB-CD1 4.4Å; K37-I190 HydrophobicContact CB-CG2 3.6Å; K37-I190 HydrophobicContact CD-CG2 3.84Å; K37-I190 HydrophobicContact CG-CG2 4.32Å; M41-I190 HydrophobicContact CB-CD1 3.75Å; M41-I190 HydrophobicContact CG-CD1 3.31Å; M41-I190 HydrophobicContact CG-CG1 3.9Å; F158-I190 PolarHBondContact O-N 2.86Å; D159-I190 HydrophobicContact CB-CD1 3.96Å; D159-I190 HydrophobicContact CB-CG1 4.37Å; D159-I190 WeakPolarHBondContact OD1-CB 3.47Å; D159-I190 VanDerWaalsContact OD1-CD1 3.31Å; D159-I190 WeakPolarHBondContact OD1-CD1 3.34Å; E160-I190 WeakPolarHBondContact CA-O 3.39Å; E160-I190 HydrophobicContact CG-CB 4.26Å; E160-I190 HydrophobicContact CG-CG2 3.92Å; E160-I190 PolarHBondContact N-O 2.84Å
191T83.9Confident87.7Confident0 Ų038.8 Ų38.80%020%0.198CC..  trans-155.6154.4164.8-1790000109.6L29 L30 E160 L189 K193 E196 I197L29-T191 PolarHBondContact O-N 3.33Å; L30-T191 VanDerWaalsContact CD1-O 3.26Å; L30-T191 WeakPolarHBondContact CD1-O 3.34Å; E160-T191 VanDerWaalsContact CD-CA 3.49Å; E160-T191 VanDerWaalsContact OE2-CA 3.28Å; E160-T191 WeakPolarHBondContact OE2-CA 3.29Å; L189-T191 HydrophobicContact CD2-CG2 4.25Å; L189-T191 HydrophobicContact CG-CG2 4.22Å; T191-K193 PolarHBondContact OG1-N 3.29Å; T191-E196 HydrophobicContact CG2-CB 4.45Å; T191-E196 PolarHBondContact OG1-OE2 2.93Å; T191-I197 HydrophobicContact CG2-CD1 3.69Å; T191-I197 HydrophobicContact CG2-CG1 3.39Å
192H77.9Confident87.7Confident43 Ų4341.2 Ų41.220%0.19921%0.211CC..SBendtrans-96.9-10.1165.366.8-75.1000112.8E160 M230E160-H192 PolarHBondContact OE1-N 3.48Å; E160-H192 IonicContact OE1-ND1 2.95Å; E160-H192 IonicContact OE2-CE1 3.13Å; E160-H192 IonicContact OE2-CG 3.58Å; E160-H192 PolarHBondContact OE2-N 3.11Å; E160-H192 IonicContact OE2-ND1 3.73Å; E160-H192 PolarHBondContact OE2-ND1 2.88Å; H192-M230 HydrophobicContact CB-CE 4.43Å
193K79Confident88.2Confident66 Ų6635.8 Ų35.829%0.28718%0.18SC..  trans-84.8127.9-179-68.9172.9161.5-173.60111T162 T191 E196T162-K193 WeakPolarHBondContact O-CE 3.34Å; T162-K193 PolarHBondContact O-NZ 2.9Å; T191-K193 PolarHBondContact OG1-N 3.29Å; K193-E196 HydrophobicContact CB-CB 4.44Å; K193-E196 HydrophobicContact CB-CG 4.08Å; K193-E196 VanDerWaalsContact CD-CD 3.47Å; K193-E196 HydrophobicContact CD-CG 4.4Å; K193-E196 WeakPolarHBondContact CD-OE1 3.44Å; K193-E196 IonicContact NZ-OE1 2.85Å
194L82.3Confident88.5Confident12 Ų1230.3 Ų30.36%0.06316%0.155CC..Hα-helixtrans-75.7-35.8-171-63.7169.1000112.3L30 I197 K198 L226 A227 M230 F237L30-L194 HydrophobicContact CD1-CD2 4.38Å; L30-L194 HydrophobicContact CD2-CD2 3.86Å; L194-I197 WeakPolarHBondContact O-CB 3.42Å; L194-I197 PolarHBondContact O-N 3.44Å; L194-K198 WeakPolarHBondContact O-CG 3.04Å; L194-K198 PolarHBondContact O-N 2.6Å; L194-L226 HydrophobicContact CD2-CB 3.66Å; L194-A227 HydrophobicContact CD1-CB 3.83Å; L194-M230 HydrophobicContact CD2-SD 3.77Å; L194-F237 HydrophobicContact CD1-CE1 4.24Å; L194-F237 HydrophobicContact CD1-CZ 3.84Å
195D78.5Confident88.8Confident103 Ų10328.9 Ų28.955%0.55114%0.14SC*.Hα-helixtrans-84.9-22.4-169.2-50.4-71.3000112.2K198 K199 S223D195-K198 WeakPolarHBondContact O-CB 3.48Å; D195-K198 PolarHBondContact O-N 2.92Å; D195-K199 WeakPolarHBondContact O-CG 3.47Å; D195-K199 PolarHBondContact O-N 3.4Å; D195-S223 PolarHBondContact OD1-OG 3.33Å
196E80.9Confident88.7Confident23 Ų2327.9 Ų27.911%0.10714%0.136CC..Hα-helixtrans-61.8-47.4163.7-67174.4179.100110.8T162 T191 K193 K198 K199 V200T162-E196 WeakPolarHBondContact CB-OE1 3.35Å; T162-E196 WeakPolarHBondContact CG2-OE1 3.36Å; T162-E196 PolarHBondContact OG1-OE1 3.15Å; T162-E196 PolarHBondContact OG1-OE2 3.13Å; T191-E196 HydrophobicContact CG2-CB 4.45Å; T191-E196 PolarHBondContact OG1-OE2 2.93Å; K193-E196 HydrophobicContact CB-CB 4.44Å; K193-E196 HydrophobicContact CB-CG 4.08Å; K193-E196 VanDerWaalsContact CD-CD 3.47Å; K193-E196 HydrophobicContact CD-CG 4.4Å; K193-E196 WeakPolarHBondContact CD-OE1 3.44Å; K193-E196 IonicContact NZ-OE1 2.85Å; E196-K198 VanDerWaalsContact C-N 3.29Å; E196-K198 PolarHBondContact O-N 3.34Å; E196-K199 PolarHBondContact O-N 3.06Å; E196-K199 VanDerWaalsContact O-N 3.14Å; E196-V200 WeakPolarHBondContact O-CG2 3.47Å; E196-V200 PolarHBondContact O-N 2.69Å; E196-V200 VanDerWaalsContact O-N 3.08Å
197I86.2Confident88.5Confident0 Ų027.5 Ų27.50%013%0.133CC..Hα-helixtrans-59.4-43.3174.6-63.3178.9000109.9A28 L30 T191 L194 K199 A201 C204 V218 L226A28-I197 HydrophobicContact CB-CB 4.39Å; A28-I197 HydrophobicContact CB-CD1 3.81Å; A28-I197 HydrophobicContact CB-CG1 3.73Å; A28-I197 HydrophobicContact CB-CG2 3.95Å; L30-I197 HydrophobicContact CB-CD1 3.82Å; L30-I197 HydrophobicContact CD1-CD1 3.67Å; L30-I197 HydrophobicContact CD2-CD1 3.83Å; L30-I197 HydrophobicContact CG-CD1 3.96Å; T191-I197 HydrophobicContact CG2-CD1 3.69Å; T191-I197 HydrophobicContact CG2-CG1 3.39Å; L194-I197 WeakPolarHBondContact O-CB 3.42Å; L194-I197 PolarHBondContact O-N 3.44Å; I197-K199 VanDerWaalsContact C-N 3.33Å; I197-K199 PolarHBondContact O-N 2.9Å; I197-A201 HydrophobicContact CG2-CB 4Å; I197-A201 PolarHBondContact O-N 3.05Å; I197-C204 HydrophobicContact CG2-CB 4.04Å; I197-V218 HydrophobicContact CG2-CG1 4.03Å; I197-V218 HydrophobicContact CG2-CG2 3.7Å; I197-L226 HydrophobicContact CG2-CD1 4.26Å
198K85.6Confident88Confident66 Ų6630.9 Ų30.929%0.28715%0.146SC..Hα-helixtrans-61.3-36.4175.7-70.5-71.1135.1-165.70113.7L194 D195 E196 V218 V221 S223L194-K198 WeakPolarHBondContact O-CG 3.04Å; L194-K198 PolarHBondContact O-N 2.6Å; D195-K198 WeakPolarHBondContact O-CB 3.48Å; D195-K198 PolarHBondContact O-N 2.92Å; E196-K198 VanDerWaalsContact C-N 3.29Å; E196-K198 PolarHBondContact O-N 3.34Å; K198-V218 HydrophobicContact CD-CG1 4.26Å; K198-V218 PolarHBondContact NZ-O 3.38Å; K198-V221 PolarHBondContact NZ-O 3.05Å; K198-S223 WeakPolarHBondContact CG-OG 3.46Å
199K84.2Confident87.3Confident124 Ų12440.5 Ų40.554%0.53918%0.182SC..Hα-helixtrans-70.6-47.6178.9-79.5-174.7173.4-172.30112.4D171 I174 D195 E196 I197D171-K199 IonicContact OD1-NZ 3.31Å; D171-K199 PolarHBondContact OD1-NZ 3.11Å; D171-K199 IonicContact OD2-NZ 3.65Å; I174-K199 HydrophobicContact CD1-CB 4.12Å; I174-K199 HydrophobicContact CD1-CD 3.57Å; I174-K199 HydrophobicContact CD1-CG 4.5Å; D195-K199 WeakPolarHBondContact O-CG 3.47Å; D195-K199 PolarHBondContact O-N 3.4Å; E196-K199 PolarHBondContact O-N 3.06Å; E196-K199 VanDerWaalsContact O-N 3.14Å; I197-K199 VanDerWaalsContact C-N 3.33Å; I197-K199 PolarHBondContact O-N 2.9Å
200V88.7Confident86.9Confident19 Ų1940.4 Ų40.412%0.11518%0.182CC..Hα-helixtrans-121.7-22.5-164.6-55.70000117.9I26 I174 M177 L189 E196I26-V200 WeakPolarHBondContact CB-O 3.24Å; I26-V200 HydrophobicContact CD1-CB 4.28Å; I26-V200 HydrophobicContact CG2-CG2 4.2Å; I174-V200 HydrophobicContact CB-CG1 3.98Å; I174-V200 HydrophobicContact CD1-CG1 3.79Å; I174-V200 HydrophobicContact CG1-CG1 3.55Å; I174-V200 HydrophobicContact CG2-CG1 3.45Å; I174-V200 VanDerWaalsContact CG2-CG1 3.45Å; M177-V200 HydrophobicContact CE-CG1 4.26Å; M177-V200 HydrophobicContact CE-CG2 4.05Å; L189-V200 HydrophobicContact CD2-CG2 3.75Å; E196-V200 WeakPolarHBondContact O-CG2 3.47Å; E196-V200 PolarHBondContact O-N 2.69Å; E196-V200 VanDerWaalsContact O-N 3.08Å
201A92Very high86.7Confident9 Ų945.4 Ų45.47%0.07421%0.205CC..  trans-88.6128.3-169.400000111.4I26 A28 I197 R203 V218I26-A201 HydrophobicContact CG2-CB 4.34Å; I26-A201 CarbonylContact O-C 3.6Å; I26-A201 WeakPolarHBondContact O-CA 3.37Å; A28-A201 HydrophobicContact CB-CB 3.66Å; I197-A201 HydrophobicContact CG2-CB 4Å; I197-A201 PolarHBondContact O-N 3.05Å; A201-R203 VanDerWaalsContact C-N 3.26Å; A201-R203 PolarHBondContact O-N 3.14Å; A201-V218 HydrophobicContact CB-CG2 4.14Å; A201-V218 WeakPolarHBondContact O-CB 3.24Å; A201-V218 VanDerWaalsContact O-CG2 3.28Å; A201-V218 WeakPolarHBondContact O-CG2 3.26Å
202D93.4Very high87.1Confident85 Ų8549.7 Ų49.746%0.45522%0.222SC..SBendtrans-61.2-41.4169.6-64.3-79.1000110.7E25 I26 V218E25-D202 WeakPolarHBondContact CA-OD2 3.16Å; E25-D202 HydrophobicContact CB-CB 4.36Å; E25-D202 WeakPolarHBondContact CB-OD2 3.17Å; I26-D202 PolarHBondContact N-OD2 2.89Å; I26-D202 PolarHBondContact O-N 3.34Å; D202-V218 PolarHBondContact O-N 3.22Å
203R96Very high87.7Confident22 Ų2250.5 Ų50.58%0.08323%0.227CC..EExtended strand (participates in β ladder)trans-145148.6-165.3-62.3175.572.7-125.5-6.9110.6Q20 R22 E25 H27 A28 A201 V216 D217Q20-R203 PolarHBondContact O-NH1 3.31Å; R22-R203 VanDerWaalsContact NH1-CD 3.25Å; E25-R203 IonicContact OE1-CZ 2.65Å; E25-R203 IonicContact OE1-NH1 3.02Å; E25-R203 PolarHBondContact OE1-NH1 3.3Å; E25-R203 WeakPolarHBondContact OE2-CD 3.27Å; E25-R203 IonicContact OE2-NH1 3.12Å; H27-R203 CarbonylContact C-O 3.56Å; H27-R203 WeakPolarHBondContact CA-O 3.41Å; H27-R203 PolarHBondContact ND1-NH1 3.21Å; A28-R203 PolarHBondContact N-O 2.57Å; A201-R203 VanDerWaalsContact C-N 3.26Å; A201-R203 PolarHBondContact O-N 3.14Å; R203-V216 CarbonylContact C-O 3.6Å; R203-V216 WeakPolarHBondContact CA-O 3.45Å; R203-D217 WeakPolarHBondContact CG-OD1 3.38Å; R203-D217 IonicContact NE-OD1 2.8Å; R203-D217 PolarHBondContact NE-OD1 2.93Å
204C94.7Very high88.3Confident0 Ų048 Ų480%022%0.221CC..EExtended strand (participates in β ladder)trans-134.5123.2-178.3179.90000110.5A28 L30 I197 T215 V216 V218 L226A28-C204 HydrophobicContact CB-CB 4.13Å; A28-C204 CarbonylContact O-C 3.57Å; A28-C204 WeakPolarHBondContact O-CA 3.27Å; L30-C204 WeakPolarHBondContact CB-SG 3.4Å; I197-C204 HydrophobicContact CG2-CB 4.04Å; C204-T215 CarbonylContact O-C 3.33Å; C204-T215 VanDerWaalsContact O-CA 3.26Å; C204-T215 WeakPolarHBondContact O-CA 3.32Å; C204-V216 HydrophobicContact CB-CG2 4.18Å; C204-V216 PolarHBondContact N-O 3.28Å; C204-V216 PolarHBondContact O-N 3.12Å; C204-V218 HydrophobicContact CB-CG2 3.71Å; C204-L226 HydrophobicContact CB-CD2 4.38Å
205S94.9Very high88.8Confident1 Ų149.4 Ų49.41%0.00723%0.23CC..EExtended strand (participates in β ladder)trans-96.6126.8167-65.70000110.3L19 H27 A28 L30 G214 T215L19-S205 WeakPolarHBondContact CD1-OG 3.22Å; H27-S205 PolarHBondContact CE1-OG 3.32Å; H27-S205 VanDerWaalsContact CE1-OG 3.27Å; H27-S205 WeakPolarHBondContact NE2-CB 3.26Å; H27-S205 PolarHBondContact NE2-OG 3.34Å; A28-S205 PolarHBondContact O-N 3.14Å; L30-S205 PolarHBondContact N-O 3.2Å; S205-G214 WeakPolarHBondContact CA-O 3.42Å; S205-T215 PolarHBondContact OG-OG1 3.04Å
206V92.4Very high89.5Confident0 Ų046 Ų460%021%0.212CC..EExtended strand (participates in β ladder)trans-96.7126.9176.7-175.20000110.3L30 I213 G214 L226 M229 M230L30-V206 HydrophobicContact CB-CG2 4.41Å; L30-V206 HydrophobicContact CD2-CG2 4.33Å; L30-V206 CarbonylContact O-C 3.59Å; L30-V206 WeakPolarHBondContact O-CA 3.41Å; V206-I213 HydrophobicContact CB-CB 4.3Å; V206-I213 HydrophobicContact CG1-CB 4.35Å; V206-I213 PolarHBondContact O-N 3.11Å; V206-G214 PolarHBondContact N-O 3.3Å; V206-L226 HydrophobicContact CG2-CD2 4.48Å; V206-M229 HydrophobicContact CB-CB 4.5Å; V206-M229 HydrophobicContact CB-CE 4.14Å; V206-M229 HydrophobicContact CG1-CB 4.16Å; V206-M229 HydrophobicContact CG2-CB 4.15Å; V206-M229 HydrophobicContact CG2-CE 3.8Å; V206-M229 HydrophobicContact CG2-SD 4.42Å; V206-M230 HydrophobicContact CG1-CG 4.4Å
207I90.5Very high90.1Very high0 Ų047.1 Ų47.10%022%0.219CC..EExtended strand (participates in β ladder)trans-111.2136.2169.8-56.1172000108.5I17 L29 L30 G31 A35 L40 Q211I17-I207 HydrophobicContact CD1-CD1 3.9Å; I17-I207 HydrophobicContact CD1-CG1 4.3Å; I17-I207 HydrophobicContact CD1-CG2 3.9Å; I17-I207 HydrophobicContact CG2-CD1 4.48Å; L29-I207 HydrophobicContact CD1-CD1 3.64Å; L29-I207 HydrophobicContact CD1-CG1 4.14Å; L29-I207 HydrophobicContact CD2-CD1 4.06Å; L29-I207 HydrophobicContact CG-CD1 3.94Å; L30-I207 PolarHBondContact O-N 2.73Å; G31-I207 VanDerWaalsContact CA-O 3.24Å; G31-I207 WeakPolarHBondContact CA-O 3.42Å; A35-I207 HydrophobicContact CB-CG2 4.5Å; A35-I207 WeakPolarHBondContact CB-O 3.44Å; A35-I207 WeakPolarHBondContact O-CG2 3.43Å; L40-I207 HydrophobicContact CD2-CD1 3.93Å; I207-Q211 WeakPolarHBondContact CA-O 3.42Å; I207-Q211 WeakPolarHBondContact CG2-O 3.28Å
208R86.6Confident90.3Very high71 Ų7147.3 Ų47.327%0.26822%0.221SC..EExtended strand (participates in β ladder)trans-138.5127.6175.4-174175.469.3-156.16109.5G210 Q211 I213 M229 M230R208-G210 VanDerWaalsContact C-N 3.27Å; R208-G210 PolarHBondContact O-N 2.81Å; R208-Q211 PolarHBondContact N-O 2.58Å; R208-Q211 PolarHBondContact O-N 3.39Å; R208-I213 HydrophobicContact CB-CD1 3.99Å; R208-I213 HydrophobicContact CB-CG1 3.64Å; R208-M229 PolarHBondContact NH1-O 2.86Å; R208-M230 WeakPolarHBondContact CD-O 3.37Å; R208-M230 VanDerWaalsContact CG-O 3.29Å; R208-M230 WeakPolarHBondContact CG-O 2.82Å
209R80.5Confident90.4Very high202 Ų20251.4 Ų51.476%0.76224%0.238SC*.THydrogen-bonded Turntrans49.143.7-178.9-57.1178.5-172.5-178.32.7113.7Q211R209-Q211 PolarHBondContact O-N 3.28Å
210G84.8Confident90.7Very high2 Ų251 Ų512%0.02124%0.242CC..THydrogen-bonded Turntrans76.8-1.1-17900000115.5A13 N14 D15 I17 A35 R208A13-G210 VanDerWaalsContact O-CA 3.24Å; A13-G210 WeakPolarHBondContact O-CA 3.47Å; N14-G210 CarbonylContact C-O 3.56Å; N14-G210 WeakPolarHBondContact CA-O 3.12Å; D15-G210 PolarHBondContact N-O 3.16Å; I17-G210 WeakPolarHBondContact CD1-O 3.46Å; I17-G210 WeakPolarHBondContact CG1-O 3.09Å; A35-G210 VanDerWaalsContact O-CA 3.26Å; A35-G210 WeakPolarHBondContact O-CA 3.49Å; A35-G210 PolarHBondContact O-N 2.88Å; R208-G210 VanDerWaalsContact C-N 3.27Å; R208-G210 PolarHBondContact O-N 2.81Å
211Q88.2Confident90.6Very high105 Ų10551.6 Ų51.649%0.49125%0.245SC..EExtended strand (participates in β ladder)trans-107.9142.4-178.6-65.9-178.8-18.100111.8D15 I207 R208 R209D15-Q211 HydrophobicContact CB-CG 4.36Å; I207-Q211 WeakPolarHBondContact CA-O 3.42Å; I207-Q211 WeakPolarHBondContact CG2-O 3.28Å; R208-Q211 PolarHBondContact N-O 2.58Å; R208-Q211 PolarHBondContact O-N 3.39Å; R209-Q211 PolarHBondContact O-N 3.28Å
212Y91.8Very high90.3Very high90 Ų9053.5 Ų53.535%0.35326%0.259SS..EExtended strand (participates in β ladder)trans-72.2122.4171173.3-101.2000110.5N18 G214 T215N18-Y212 VanDerWaalsContact O-CD2 3.23Å; N18-Y212 WeakPolarHBondContact O-CD2 3.36Å; N18-Y212 WeakPolarHBondContact O-CE2 3.35Å; Y212-G214 VanDerWaalsContact CZ-C 3.49Å; Y212-T215 WeakPolarHBondContact CE2-OG1 3.34Å; Y212-T215 WeakPolarHBondContact OH-CB 3.44Å; Y212-T215 PolarHBondContact OH-N 3.28Å; Y212-T215 VanDerWaalsContact OH-N 3.14Å; Y212-T215 PolarHBondContact OH-OG1 2.9Å
213I90.1Very high89.5Confident60 Ų6050.9 Ų50.931%0.30825%0.247SC..EExtended strand (participates in β ladder)trans-94.6-36.5-179.8-59.6-55.2000111.6V206 R208 M229V206-I213 HydrophobicContact CB-CB 4.3Å; V206-I213 HydrophobicContact CG1-CB 4.35Å; V206-I213 PolarHBondContact O-N 3.11Å; R208-I213 HydrophobicContact CB-CD1 3.99Å; R208-I213 HydrophobicContact CB-CG1 3.64Å; I213-M229 HydrophobicContact CG2-CE 4.2Å
214G91.3Very high88.4Confident15 Ų1553.3 Ų53.316%0.15526%0.259CS..EExtended strand (participates in β ladder)trans165.3173.9179.800000112.3S205 V206 Y212S205-G214 WeakPolarHBondContact CA-O 3.42Å; V206-G214 PolarHBondContact N-O 3.3Å; Y212-G214 VanDerWaalsContact CZ-C 3.49Å
215T93.9Very high87.7Confident41 Ų4158.2 Ų58.225%0.25228%0.282SS..EExtended strand (participates in β ladder)trans-127.5133.5169.3-56.70000108.7C204 S205 Y212C204-T215 CarbonylContact O-C 3.33Å; C204-T215 VanDerWaalsContact O-CA 3.26Å; C204-T215 WeakPolarHBondContact O-CA 3.32Å; S205-T215 PolarHBondContact OG-OG1 3.04Å; Y212-T215 WeakPolarHBondContact CE2-OG1 3.34Å; Y212-T215 WeakPolarHBondContact OH-CB 3.44Å; Y212-T215 PolarHBondContact OH-N 3.28Å; Y212-T215 VanDerWaalsContact OH-N 3.14Å; Y212-T215 PolarHBondContact OH-OG1 2.9Å
216V93.3Very high87.3Confident30 Ų3058.2 Ų58.218%0.18228%0.282CS..EExtended strand (participates in β ladder)trans-122.9146.2178.5-63.70000109.7R203 C204 V221 L226 M229R203-V216 CarbonylContact C-O 3.6Å; R203-V216 WeakPolarHBondContact CA-O 3.45Å; C204-V216 HydrophobicContact CB-CG2 4.18Å; C204-V216 PolarHBondContact N-O 3.28Å; C204-V216 PolarHBondContact O-N 3.12Å; V216-V221 HydrophobicContact CB-CG1 4.01Å; V216-V221 HydrophobicContact CG1-CG1 4.16Å; V216-V221 HydrophobicContact CG2-CG1 4.22Å; V216-V221 HydrophobicContact CG2-CG2 4.01Å; V216-L226 HydrophobicContact CG2-CD2 3.81Å; V216-M229 HydrophobicContact CG1-CE 4.31Å; V216-M229 HydrophobicContact CG1-SD 4.36Å
217D93.2Very high86.5Confident47 Ų4758.4 Ų58.425%0.25128%0.284SS..EExtended strand (participates in β ladder)trans-75.7126.7164.7-75.617000107R203 K219 D220R203-D217 WeakPolarHBondContact CG-OD1 3.38Å; R203-D217 IonicContact NE-OD1 2.8Å; R203-D217 PolarHBondContact NE-OD1 2.93Å; D217-K219 VanDerWaalsContact C-N 3.3Å; D217-K219 HydrophobicContact CB-CG 4.46Å; D217-K219 PolarHBondContact O-N 2.93Å; D217-K219 IonicContact OD2-NZ 3.78Å; D217-K219 PolarHBondContact OD2-NZ 3.07Å; D217-D220 PolarHBondContact O-N 3.25Å; D217-D220 VanDerWaalsContact O-N 3.11Å
218V90.9Very high86Confident5 Ų560.6 Ų60.63%0.0330%0.295CS..G310 helixtrans-67.7-31.6-162.9172.10000112.6I197 K198 A201 D202 C204 D220 V221I197-V218 HydrophobicContact CG2-CG1 4.03Å; I197-V218 HydrophobicContact CG2-CG2 3.7Å; K198-V218 HydrophobicContact CD-CG1 4.26Å; K198-V218 PolarHBondContact NZ-O 3.38Å; A201-V218 HydrophobicContact CB-CG2 4.14Å; A201-V218 WeakPolarHBondContact O-CB 3.24Å; A201-V218 VanDerWaalsContact O-CG2 3.28Å; A201-V218 WeakPolarHBondContact O-CG2 3.26Å; D202-V218 PolarHBondContact O-N 3.22Å; C204-V218 HydrophobicContact CB-CG2 3.71Å; V218-D220 PolarHBondContact O-N 2.6Å; V218-V221 PolarHBondContact O-N 2.92Å
219K87.8Confident85.8Confident152 Ų15259.3 Ų59.366%0.66129%0.293SS*.G310 helixtrans-56.6-27.1174.273-161.4175.2-149.50114D217D217-K219 VanDerWaalsContact C-N 3.3Å; D217-K219 HydrophobicContact CB-CG 4.46Å; D217-K219 PolarHBondContact O-N 2.93Å; D217-K219 IonicContact OD2-NZ 3.78Å; D217-K219 PolarHBondContact OD2-NZ 3.07Å
220D88.9Confident85.7Confident116 Ų11650.2 Ų50.262%0.6226%0.259SS*.G310 helixtrans-97.22.9-169.6-62.2-46.7000113.4D217 V218D217-D220 PolarHBondContact O-N 3.25Å; D217-D220 VanDerWaalsContact O-N 3.11Å; V218-D220 PolarHBondContact O-N 2.6Å
221V88.4Confident85Confident30 Ų3051.5 Ų51.518%0.18227%0.266CS..SBendtrans-132.1163.8-178.8-57.90000112.2K198 V216 V218 Q225 L226K198-V221 PolarHBondContact NZ-O 3.05Å; V216-V221 HydrophobicContact CB-CG1 4.01Å; V216-V221 HydrophobicContact CG1-CG1 4.16Å; V216-V221 HydrophobicContact CG2-CG1 4.22Å; V216-V221 HydrophobicContact CG2-CG2 4.01Å; V218-V221 PolarHBondContact O-N 2.92Å; V221-Q225 HydrophobicContact CB-CB 4.43Å; V221-L226 HydrophobicContact CG2-CD1 4.15Å; V221-L226 HydrophobicContact CG2-CD2 4.02Å; V221-L226 HydrophobicContact CG2-CG 3.88Å
222S83.8Confident84.1Confident50 Ų5048.8 Ų48.835%0.3527%0.267SS..  trans-95.9162.5171.259.60000112.6Q224 Q225 L226S222-Q224 VanDerWaalsContact C-N 3.27Å; S222-Q224 PolarHBondContact O-N 3.16Å; S222-Q225 PolarHBondContact O-N 2.89Å; S222-Q225 WeakPolarHBondContact OG-CG 3.23Å; S222-Q225 PolarHBondContact OG-N 3.07Å; S222-Q225 PolarHBondContact OG-OE1 3.37Å; S222-L226 PolarHBondContact O-N 2.91Å
223S77.7Confident83.1Confident30 Ų3050.1 Ų50.121%0.2127%0.271CS..Hα-helixtrans-58.7-38.2171.8-53.50000111.6D195 K198 Q225 L226 A227D195-S223 PolarHBondContact OD1-OG 3.33Å; K198-S223 WeakPolarHBondContact CG-OG 3.46Å; S223-Q225 PolarHBondContact O-N 2.76Å; S223-L226 WeakPolarHBondContact O-CB 3.22Å; S223-L226 PolarHBondContact O-N 3.12Å; S223-A227 PolarHBondContact O-N 2.9Å
224Q72.4Confident81.7Confident72 Ų7251.4 Ų51.434%0.33629%0.285SS..Hα-helixtrans-60.1-45174.6-171.572.956.700112.3S222 L226 A227 D228 V235S222-Q224 VanDerWaalsContact C-N 3.27Å; S222-Q224 PolarHBondContact O-N 3.16Å; Q224-L226 VanDerWaalsContact C-N 3.29Å; Q224-L226 PolarHBondContact O-N 2.9Å; Q224-A227 WeakPolarHBondContact O-CB 3.46Å; Q224-A227 PolarHBondContact O-N 2.94Å; Q224-D228 PolarHBondContact NE2-OD1 2.68Å; Q224-D228 WeakPolarHBondContact O-CB 3.39Å; Q224-D228 PolarHBondContact O-N 2.7Å; Q224-D228 VanDerWaalsContact O-OD1 3.13Å; Q224-V235 PolarHBondContact NE2-O 2.68Å
225Q80.9Confident80Confident104 Ų10451.2 Ų51.249%0.48628%0.281SS..Hα-helixtrans-63.5-36178.1-75.7162.9-62.100112.2V221 S222 S223 M229V221-Q225 HydrophobicContact CB-CB 4.43Å; S222-Q225 PolarHBondContact O-N 2.89Å; S222-Q225 WeakPolarHBondContact OG-CG 3.23Å; S222-Q225 PolarHBondContact OG-N 3.07Å; S222-Q225 PolarHBondContact OG-OE1 3.37Å; S223-Q225 PolarHBondContact O-N 2.76Å; Q225-M229 WeakPolarHBondContact O-CB 2.98Å; Q225-M229 VanDerWaalsContact O-CG 3.24Å; Q225-M229 WeakPolarHBondContact O-CG 3.28Å; Q225-M229 PolarHBondContact O-N 3.35Å
226L85.5Confident78.3Confident0 Ų052.2 Ų52.20%029%0.29CS..Hα-helixtrans-65.9-43.4173.1-70.5173.1000111.6L30 L194 I197 C204 V206 V216 V221 S222 S223 Q224 M229 M230L30-L226 HydrophobicContact CD2-CB 3.86Å; L30-L226 HydrophobicContact CD2-CD1 4.5Å; L30-L226 HydrophobicContact CD2-CD2 4.08Å; L30-L226 HydrophobicContact CD2-CG 4.37Å; L194-L226 HydrophobicContact CD2-CB 3.66Å; I197-L226 HydrophobicContact CG2-CD1 4.26Å; C204-L226 HydrophobicContact CB-CD2 4.38Å; V206-L226 HydrophobicContact CG2-CD2 4.48Å; V216-L226 HydrophobicContact CG2-CD2 3.81Å; V221-L226 HydrophobicContact CG2-CD1 4.15Å; V221-L226 HydrophobicContact CG2-CD2 4.02Å; V221-L226 HydrophobicContact CG2-CG 3.88Å; S222-L226 PolarHBondContact O-N 2.91Å; S223-L226 WeakPolarHBondContact O-CB 3.22Å; S223-L226 PolarHBondContact O-N 3.12Å; Q224-L226 VanDerWaalsContact C-N 3.29Å; Q224-L226 PolarHBondContact O-N 2.9Å; L226-M229 WeakPolarHBondContact O-CB 3.45Å; L226-M229 PolarHBondContact O-N 2.91Å; L226-M230 WeakPolarHBondContact O-CG 3.33Å; L226-M230 PolarHBondContact O-N 3.16Å
227A75.9Confident76.9Confident5 Ų555.6 Ų55.64%0.04130%0.302CS..Hα-helixtrans-60.8-47.8174.900000112.6L194 S223 Q224 M229 M230 V231 F237L194-A227 HydrophobicContact CD1-CB 3.83Å; S223-A227 PolarHBondContact O-N 2.9Å; Q224-A227 WeakPolarHBondContact O-CB 3.46Å; Q224-A227 PolarHBondContact O-N 2.94Å; A227-M229 VanDerWaalsContact C-N 3.26Å; A227-M229 PolarHBondContact O-N 3.43Å; A227-M230 WeakPolarHBondContact O-CB 3Å; A227-M230 PolarHBondContact O-N 3.31Å; A227-M230 VanDerWaalsContact O-N 3.09Å; A227-V231 PolarHBondContact O-N 2.94Å; A227-F237 HydrophobicContact CB-CE2 4.4Å; A227-F237 HydrophobicContact CB-CZ 3.9Å
228D79.5Confident75.7Confident45 Ų4561.3 Ų61.324%0.24133%0.325CS..Hα-helixtrans-62.8-33.3177.7-75.531.7000111.2Q224 G232 S234Q224-D228 PolarHBondContact NE2-OD1 2.68Å; Q224-D228 WeakPolarHBondContact O-CB 3.39Å; Q224-D228 PolarHBondContact O-N 2.7Å; Q224-D228 VanDerWaalsContact O-OD1 3.13Å; D228-G232 VanDerWaalsContact O-CA 3.24Å; D228-G232 WeakPolarHBondContact O-CA 3.1Å; D228-G232 PolarHBondContact O-N 3.06Å; D228-S234 WeakPolarHBondContact OD1-CA 3.47Å; D228-S234 WeakPolarHBondContact OD2-CA 2.88Å; D228-S234 WeakPolarHBondContact OD2-CB 3.14Å; D228-S234 PolarHBondContact OD2-OG 2.69Å
229M82.5Confident75.1Confident45 Ų4562 Ų6222%0.22233%0.329CS..Hα-helixtrans-67.9-43.3170.5-74.5175.872.500112.5V206 R208 I213 V216 Q225 L226 A227V206-M229 HydrophobicContact CB-CB 4.5Å; V206-M229 HydrophobicContact CB-CE 4.14Å; V206-M229 HydrophobicContact CG1-CB 4.16Å; V206-M229 HydrophobicContact CG2-CB 4.15Å; V206-M229 HydrophobicContact CG2-CE 3.8Å; V206-M229 HydrophobicContact CG2-SD 4.42Å; R208-M229 PolarHBondContact NH1-O 2.86Å; I213-M229 HydrophobicContact CG2-CE 4.2Å; V216-M229 HydrophobicContact CG1-CE 4.31Å; V216-M229 HydrophobicContact CG1-SD 4.36Å; Q225-M229 WeakPolarHBondContact O-CB 2.98Å; Q225-M229 VanDerWaalsContact O-CG 3.24Å; Q225-M229 WeakPolarHBondContact O-CG 3.28Å; Q225-M229 PolarHBondContact O-N 3.35Å; L226-M229 WeakPolarHBondContact O-CB 3.45Å; L226-M229 PolarHBondContact O-N 2.91Å; A227-M229 VanDerWaalsContact C-N 3.26Å; A227-M229 PolarHBondContact O-N 3.43Å
230M79.1Confident74.5Confident10 Ų1062.2 Ų62.25%0.04934%0.338CS..Hα-helixtrans-61-51.2177.9-69.9166.376.900112.5L30 H192 L194 V206 R208 L226 A227L30-M230 HydrophobicContact CD1-CE 3.66Å; L30-M230 HydrophobicContact CD1-CG 4.16Å; L30-M230 HydrophobicContact CD1-SD 3.47Å; L30-M230 WeakPolarHBondContact CD1-SD 3.31Å; L30-M230 HydrophobicContact CD2-CG 3.91Å; L30-M230 HydrophobicContact CD2-SD 3.76Å; L30-M230 HydrophobicContact CG-CE 4.23Å; L30-M230 HydrophobicContact CG-CG 3.66Å; L30-M230 HydrophobicContact CG-SD 3.6Å; H192-M230 HydrophobicContact CB-CE 4.43Å; L194-M230 HydrophobicContact CD2-SD 3.77Å; V206-M230 HydrophobicContact CG1-CG 4.4Å; R208-M230 WeakPolarHBondContact CD-O 3.37Å; R208-M230 VanDerWaalsContact CG-O 3.29Å; R208-M230 WeakPolarHBondContact CG-O 2.82Å; L226-M230 WeakPolarHBondContact O-CG 3.33Å; L226-M230 PolarHBondContact O-N 3.16Å; A227-M230 WeakPolarHBondContact O-CB 3Å; A227-M230 PolarHBondContact O-N 3.31Å; A227-M230 VanDerWaalsContact O-N 3.09Å
231V70.7Confident74.2Confident29 Ų2960.1 Ų60.118%0.17632%0.323CS..Hα-helixtrans-92.2-30.2-169.8-1730000111.7A227 R233 V235A227-V231 PolarHBondContact O-N 2.94Å; V231-R233 VanDerWaalsContact C-N 3.32Å; V231-R233 HydrophobicContact CG1-CG 3.86Å; V231-V235 HydrophobicContact CB-CG2 4.06Å; V231-V235 HydrophobicContact CG1-CG2 4.35Å; V231-V235 HydrophobicContact CG2-CG2 3.89Å
232G69.1Low73.9Confident48 Ų4862.9 Ų62.950%0.49534%0.34SS..SBendtrans80.67.5-178.200000115.1D228D228-G232 VanDerWaalsContact O-CA 3.24Å; D228-G232 WeakPolarHBondContact O-CA 3.1Å; D228-G232 PolarHBondContact O-N 3.06Å
233R70.4Confident73.8Confident118 Ų11866.1 Ų66.145%0.44536%0.36SS..SBendtrans-133.7161.4162.460.4159.5174.2127.90.3108.3V231 E432V231-R233 VanDerWaalsContact C-N 3.32Å; V231-R233 HydrophobicContact CG1-CG 3.86Å; R233-E432 IonicContact CZ-OE2 2.67Å; R233-E432 VanDerWaalsContact CZ-OE2 3.29Å; R233-E432 IonicContact NH1-OE1 2.7Å; R233-E432 PolarHBondContact NH1-OE1 3.1Å; R233-E432 VanDerWaalsContact NH1-OE1 3.12Å; R233-E432 IonicContact NH1-OE2 2.59Å; R233-E432 PolarHBondContact NH1-OE2 3.26Å; R233-E432 IonicContact NH2-OE2 2.73Å; R233-E432 PolarHBondContact NH2-OE2 3.07Å
234S60.2Low74.1Confident87 Ų8766.1 Ų66.161%0.60836%0.361SS*.  trans-66.1140.3168.9-55.10000111.4D228D228-S234 WeakPolarHBondContact OD1-CA 3.47Å; D228-S234 WeakPolarHBondContact OD2-CA 2.88Å; D228-S234 WeakPolarHBondContact OD2-CB 3.14Å; D228-S234 PolarHBondContact OD2-OG 2.69Å
235V55.6Low74.8Confident11 Ų1167.2 Ų67.27%0.06737%0.373CS..  trans-115.9135.2-174.6-176.80000109.5Q224 V231 V428Q224-V235 PolarHBondContact NE2-O 2.68Å; V231-V235 HydrophobicContact CB-CG2 4.06Å; V231-V235 HydrophobicContact CG1-CG2 4.35Å; V231-V235 HydrophobicContact CG2-CG2 3.89Å; V235-V428 HydrophobicContact CG1-CG1 3.77Å
236S58.6Low75.1Confident62 Ų6266 Ų6643%0.43437%0.374SS..  trans-92130.5167.8-175.90000110.2K238S236-K238 PolarHBondContact OG-N 3.38Å; S236-K238 PolarHBondContact OG-O 2.82Å
237F63Low75.2Confident102 Ų10267.8 Ų67.845%0.44739%0.393SS..SBendtrans-89.6-5.5172.2-65.6-84.2000113.2L194 A227L194-F237 HydrophobicContact CD1-CE1 4.24Å; L194-F237 HydrophobicContact CD1-CZ 3.84Å; A227-F237 HydrophobicContact CB-CE2 4.4Å; A227-F237 HydrophobicContact CB-CZ 3.9Å
238K67.9Low76Confident167 Ų16775 Ų7573%0.72643%0.425SS*.SBendtrans-112.1138.7175.2-68.2-167174.2-167.60111.1S236S236-K238 PolarHBondContact OG-N 3.38Å; S236-K238 PolarHBondContact OG-O 2.82Å
239T78.6Confident76.6Confident20 Ų2075.8 Ų75.812%0.12343%0.432CS..  trans-90118174.8-590000109.5K241 H435 V439 N460T239-K241 PolarHBondContact O-N 2.82Å; T239-K241 VanDerWaalsContact O-N 3.12Å; T239-H435 HydrophobicContact CG2-CB 4.09Å; T239-H435 WeakPolarHBondContact OG1-CB 3.36Å; T239-H435 PolarHBondContact OG1-CE1 3.32Å; T239-V439 HydrophobicContact CG2-CG2 3.96Å; T239-N460 WeakPolarHBondContact CB-ND2 2.96Å; T239-N460 PolarHBondContact N-OD1 3.46Å; T239-N460 PolarHBondContact OG1-ND2 2.85Å
240D74.8Confident77.1Confident156 Ų15673.8 Ų73.883%0.83442%0.422SS*.  trans-60.9114.2174.8-69.1-44.3000110.2
241K82.9Confident77.9Confident72 Ų7273.3 Ų73.331%0.31342%0.42SS..  trans-133.7137.2177.564.1-175.5-172.1-174.60111.5T239 V439 N460 V461 S462T239-K241 PolarHBondContact O-N 2.82Å; T239-K241 VanDerWaalsContact O-N 3.12Å; K241-V439 HydrophobicContact CB-CG1 4.42Å; K241-V439 HydrophobicContact CB-CG2 4.19Å; K241-N460 VanDerWaalsContact CE-O 3.28Å; K241-N460 WeakPolarHBondContact CE-O 3.2Å; K241-N460 PolarHBondContact NZ-O 3.13Å; K241-V461 VanDerWaalsContact NZ-C 3.34Å; K241-V461 PolarHBondContact NZ-O 3.46Å; K241-S462 PolarHBondContact NZ-O 2.7Å
242V82.9Confident79.1Confident88 Ų8872.3 Ų72.353%0.53341%0.414SS..PPolyproline II helixtrans-76.7159.2168.3-670000110.4A244V242-A244 PolarHBondContact O-N 2.75Å
243P81Confident80.3Confident118 Ų11870.1 Ų70.177%0.76639%0.391SS*.PPolyproline II helixtrans-58.4129.5173.4-23.834.7000111.6
244A85.4Confident81.4Confident30 Ų3069.7 Ų69.725%0.24839%0.392CS..PPolyproline II helixtrans-57.8149.9176.100000112.1V242 G277 D463V242-A244 PolarHBondContact O-N 2.75Å; A244-G277 WeakPolarHBondContact CB-O 3.37Å; A244-D463 HydrophobicContact CB-CB 3.93Å
245T85.4Confident83Confident95 Ų9570.1 Ų70.158%0.58339%0.388SS*.  trans-129.783.1175.737.80000109G247 G277 Q445T245-G247 PolarHBondContact O-N 3.25Å; T245-G277 PolarHBondContact N-O 3.04Å; T245-Q445 PolarHBondContact O-NE2 3.37Å; T245-Q445 PolarHBondContact OG1-NE2 3.4Å
246P87.3Confident84.8Confident79 Ų7969.6 Ų69.651%0.51339%0.385SS..  trans-60.7128.7-176.9-2434.7000112.4H275 R276 E278P246-H275 HydrophobicContact CB-CB 4.12Å; P246-R276 CarbonylContact C-O 3.23Å; P246-R276 WeakPolarHBondContact CA-O 3.07Å; P246-E278 HydrophobicContact CG-CB 4.39Å
247G89.4Confident86.5Confident37 Ų3767 Ų6738%0.38137%0.366SS..  trans-100.4-139.4175.800000112.5T245 H275 R276T245-G247 PolarHBondContact O-N 3.25Å; G247-H275 PolarHBondContact O-CD2 2.99Å; G247-R276 PolarHBondContact N-O 2.89Å
248E91.7Very high87.9Confident155 Ų15562.1 Ų62.172%0.72435%0.345SS*.SBendtrans-70.7153.1177-62.3-178.2163.800112.5V250 H275 R276E248-V250 PolarHBondContact O-N 3.35Å; E248-H275 CarbonylContact O-C 3.51Å; E248-H275 VanDerWaalsContact O-CA 3.31Å; E248-H275 WeakPolarHBondContact O-CA 3.23Å; E248-R276 PolarHBondContact O-N 3.21Å
249V92.5Very high88.8Confident63 Ų6357.4 Ų57.438%0.38232%0.324SS..EExtended strand (participates in β ladder)trans-64.2120.1175.1-178.30000109.9L251 D273V249-L251 VanDerWaalsContact CG1-O 3.25Å; V249-L251 WeakPolarHBondContact CG1-O 3.45Å; V249-D273 HydrophobicContact CG1-CB 4.16Å
250V93.3Very high88.9Confident2 Ų258 Ų581%0.01233%0.326CS..EExtended strand (participates in β ladder)trans-101.5-26.3179.573.30000112.7E248 V274 R276 I310 S311 D415 L416E248-V250 PolarHBondContact O-N 3.35Å; V250-V274 WeakPolarHBondContact CG1-O 3.44Å; V250-V274 PolarHBondContact N-O 3.21Å; V250-R276 HydrophobicContact CB-CG 4.14Å; V250-I310 CarbonylContact O-C 3.55Å; V250-I310 VanDerWaalsContact O-CA 3.28Å; V250-I310 WeakPolarHBondContact O-CA 3.42Å; V250-S311 PolarHBondContact O-N 3.03Å; V250-D415 HydrophobicContact CG2-CB 3.94Å; V250-L416 HydrophobicContact CG1-CD1 4.23Å
251L95.3Very high88.8Confident0 Ų055.5 Ų55.50%032%0.32CS..EExtended strand (participates in β ladder)trans-131.1128.7169.1170.968.7000108.8V249 I253 D273 V274 L297 V308 T309 I310 L416 L449V249-L251 VanDerWaalsContact CG1-O 3.25Å; V249-L251 WeakPolarHBondContact CG1-O 3.45Å; L251-I253 HydrophobicContact CD1-CG1 4.1Å; L251-I253 HydrophobicContact CD2-CD1 4.16Å; L251-I253 HydrophobicContact CD2-CG1 4.25Å; L251-I253 HydrophobicContact CG-CG1 4.06Å; L251-D273 WeakPolarHBondContact O-CA 3.44Å; L251-V274 HydrophobicContact CB-CB 4.17Å; L251-V274 HydrophobicContact CB-CG2 4.44Å; L251-V274 HydrophobicContact CD2-CG2 4.08Å; L251-V274 PolarHBondContact N-O 2.86Å; L251-V274 VanDerWaalsContact N-O 3.07Å; L251-V274 PolarHBondContact O-N 3.25Å; L251-L297 HydrophobicContact CD1-CD2 4.14Å; L251-L297 HydrophobicContact CD2-CD1 4.35Å; L251-V308 HydrophobicContact CD1-CG1 3.89Å; L251-T309 WeakPolarHBondContact CA-O 3.48Å; L251-I310 HydrophobicContact CD1-CD1 4.2Å; L251-I310 HydrophobicContact CD1-CG1 3.72Å; L251-L416 HydrophobicContact CB-CD1 4Å; L251-L416 HydrophobicContact CB-CD2 4.01Å; L251-L416 HydrophobicContact CD1-CD2 4.23Å; L251-L416 HydrophobicContact CD2-CD1 4.28Å; L251-L416 HydrophobicContact CD2-CD2 4.07Å; L251-L416 HydrophobicContact CG-CD2 4.33Å; L251-L449 HydrophobicContact CD2-CD2 4.03Å
252S95.4Very high88.2Confident9 Ų961.6 Ų61.66%0.06334%0.342CS..EExtended strand (participates in β ladder)trans-128.9119.4170.2-175.50000110.3K254 D273 T309S252-K254 WeakPolarHBondContact OG-CE 3.34Å; S252-D273 VanDerWaalsContact CA-OD1 3.23Å; S252-D273 WeakPolarHBondContact CA-OD1 3.45Å; S252-D273 WeakPolarHBondContact CB-OD1 3.48Å; S252-D273 PolarHBondContact OG-OD1 2.85Å; S252-T309 WeakPolarHBondContact CB-OG1 3.34Å; S252-T309 PolarHBondContact N-O 3.3Å; S252-T309 PolarHBondContact O-N 3.1Å; S252-T309 PolarHBondContact O-OG1 2.86Å
253I95.3Very high87.8Confident1 Ų159.4 Ų59.41%0.00534%0.337CS..EExtended strand (participates in β ladder)trans-107.1130.5177.9-47.6176.2000107.9L251 L256 L270 S271 L272 L293 L297L251-I253 HydrophobicContact CD1-CG1 4.1Å; L251-I253 HydrophobicContact CD2-CD1 4.16Å; L251-I253 HydrophobicContact CD2-CG1 4.25Å; L251-I253 HydrophobicContact CG-CG1 4.06Å; I253-L256 HydrophobicContact CG2-CB 3.62Å; I253-L256 HydrophobicContact CG2-CD2 3.89Å; I253-L256 HydrophobicContact CG2-CG 4.24Å; I253-L270 HydrophobicContact CB-CD2 4.5Å; I253-L270 HydrophobicContact CD1-CD2 4.17Å; I253-L270 HydrophobicContact CG2-CD2 3.99Å; I253-S271 WeakPolarHBondContact O-CA 3.22Å; I253-L272 WeakPolarHBondContact CB-O 3.45Å; I253-L272 HydrophobicContact CD1-CB 4.32Å; I253-L272 PolarHBondContact N-O 3.28Å; I253-L272 PolarHBondContact O-N 3.15Å; I253-L272 VanDerWaalsContact O-N 3.08Å; I253-L293 HydrophobicContact CD1-CD1 4.22Å; I253-L297 HydrophobicContact CD1-CD1 3.94Å; I253-L297 HydrophobicContact CD1-CD2 3.72Å; I253-L297 HydrophobicContact CD1-CG 4.35Å; I253-L297 HydrophobicContact CG1-CD2 3.94Å
254K93.2Very high87.7Confident109 Ų10959 Ų5947%0.47433%0.328SS..EExtended strand (participates in β ladder)trans-135121.1-179-64.9179.3-179.1167.30112S252 L256 G306 T307S252-K254 WeakPolarHBondContact OG-CE 3.34Å; K254-L256 PolarHBondContact O-N 2.98Å; K254-G306 CarbonylContact O-C 3.59Å; K254-G306 WeakPolarHBondContact O-CA 3.18Å; K254-T307 PolarHBondContact N-O 2.81Å; K254-T307 PolarHBondContact O-N 3Å
255N93.1Very high87.6Confident97 Ų9762 Ų6252%0.51934%0.336SS..EExtended strand (participates in β ladder)trans49.640175.7-58.6-23.1000113.7V257 N269 L270 S271 G306N255-V257 PolarHBondContact O-N 2.89Å; N255-N269 WeakPolarHBondContact CA-O 3.44Å; N255-L270 PolarHBondContact N-O 2.86Å; N255-S271 PolarHBondContact N-OG 2.85Å; N255-S271 PolarHBondContact OD1-OG 2.77Å; N255-G306 WeakPolarHBondContact O-CA 3.41Å
256L94.5Very high87.7Confident0 Ų058.1 Ų58.10%031%0.314CS..EExtended strand (participates in β ladder)trans-70.8125.3-173.6-167.874.4000111.9I253 K254 V258 K268 N269 L270 L293 A296 V303 S305 V308I253-L256 HydrophobicContact CG2-CB 3.62Å; I253-L256 HydrophobicContact CG2-CD2 3.89Å; I253-L256 HydrophobicContact CG2-CG 4.24Å; K254-L256 PolarHBondContact O-N 2.98Å; L256-V258 HydrophobicContact CD2-CG2 3.91Å; L256-V258 HydrophobicContact CG-CG2 3.9Å; L256-K268 CarbonylContact O-C 3.39Å; L256-N269 WeakPolarHBondContact O-CA 3.43Å; L256-N269 PolarHBondContact O-N 3.36Å; L256-L270 HydrophobicContact CB-CB 4.4Å; L256-L270 WeakPolarHBondContact CB-O 3.22Å; L256-L270 PolarHBondContact N-O 3.47Å; L256-L270 PolarHBondContact O-N 3.45Å; L256-L293 HydrophobicContact CD2-CD1 3.68Å; L256-A296 HydrophobicContact CD2-CB 4.46Å; L256-V303 HydrophobicContact CD1-CB 4.44Å; L256-V303 HydrophobicContact CD1-CG1 3.59Å; L256-V303 HydrophobicContact CD1-CG2 3.96Å; L256-S305 WeakPolarHBondContact CA-O 3.42Å; L256-V308 HydrophobicContact CD1-CG2 3.69Å; L256-V308 HydrophobicContact CD2-CG2 4.47Å
257V93.8Very high87.8Confident6 Ų654.4 Ų54.44%0.03629%0.29CS..EExtended strand (participates in β ladder)trans-115.2129170.2-178.50000109.7N255 E265 V267 E304 S305N255-V257 PolarHBondContact O-N 2.89Å; V257-E265 HydrophobicContact CG1-CG 4.02Å; V257-V267 WeakPolarHBondContact CA-O 3.34Å; V257-E304 HydrophobicContact CB-CB 4.45Å; V257-E304 HydrophobicContact CG1-CB 4.25Å; V257-E304 PolarHBondContact O-N 3.44Å; V257-S305 WeakPolarHBondContact CB-OG 3.42Å; V257-S305 VanDerWaalsContact CG2-OG 3.25Å; V257-S305 WeakPolarHBondContact CG2-OG 3.47Å; V257-S305 PolarHBondContact N-O 3.07Å
258V91.7Very high87.8Confident0 Ų055.4 Ų55.40%028%0.284CS..EExtended strand (participates in β ladder)trans-136.2135.2-179.6-168.60000109.4L256 A266 V267 E292 A296 R301L256-V258 HydrophobicContact CD2-CG2 3.91Å; L256-V258 HydrophobicContact CG-CG2 3.9Å; V258-A266 PolarHBondContact O-N 2.88Å; V258-V267 HydrophobicContact CB-CB 3.82Å; V258-V267 HydrophobicContact CB-CG2 3.94Å; V258-V267 HydrophobicContact CG2-CB 3.9Å; V258-V267 HydrophobicContact CG2-CG1 4.45Å; V258-V267 HydrophobicContact CG2-CG2 4.12Å; V258-V267 PolarHBondContact N-O 3.22Å; V258-V267 PolarHBondContact O-N 2.94Å; V258-E292 HydrophobicContact CG1-CB 4.04Å; V258-A296 HydrophobicContact CB-CB 4.49Å; V258-A296 HydrophobicContact CG1-CB 4.05Å; V258-A296 HydrophobicContact CG2-CB 3.56Å; V258-R301 HydrophobicContact CG1-CG 3.73Å
259K87.4Confident87.6Confident68 Ų6852.6 Ų52.630%0.29627%0.273SS..EExtended strand (participates in β ladder)trans-100.2134.8179.4-71.2171.8174.3172.50111.9G263 L264 E265 R301 E304K259-G263 WeakPolarHBondContact CD-O 3.49Å; K259-L264 CarbonylContact C-O 3.53Å; K259-L264 WeakPolarHBondContact CA-O 3.49Å; K259-L264 WeakPolarHBondContact CB-O 3.42Å; K259-E265 HydrophobicContact CG-CG 4.18Å; K259-R301 WeakPolarHBondContact O-CD 3.31Å; K259-R301 PolarHBondContact O-NH1 3.41Å; K259-E304 HydrophobicContact CD-CG 4.36Å; K259-E304 WeakPolarHBondContact CE-OE1 3.46Å; K259-E304 IonicContact NZ-OE1 3.15Å; K259-E304 PolarHBondContact NZ-OE1 3.08Å
260E79.8Confident87.6Confident33 Ų3349.7 Ų49.715%0.15426%0.256CS..  trans-68.8174.8169.255.3139.8-158.100111.4R262 G263 L264 A266 E292 R301E260-R262 PolarHBondContact O-N 3.11Å; E260-R262 VanDerWaalsContact O-N 3.14Å; E260-R262 WeakPolarHBondContact OE1-CB 3.41Å; E260-R262 IonicContact OE1-CZ 2.71Å; E260-R262 IonicContact OE1-NE 2.82Å; E260-R262 PolarHBondContact OE1-NE 3.12Å; E260-R262 IonicContact OE1-NH2 3.83Å; E260-R262 PolarHBondContact OE1-NH2 3.3Å; E260-R262 IonicContact OE2-CZ 3.65Å; E260-R262 IonicContact OE2-NE 3.73Å; E260-R262 PolarHBondContact OE2-NE 2.92Å; E260-R262 VanDerWaalsContact OE2-NE 3.13Å; E260-R262 IonicContact OE2-NH2 3.35Å; E260-R262 PolarHBondContact OE2-NH2 3.13Å; E260-G263 PolarHBondContact O-N 3.4Å; E260-L264 HydrophobicContact CG-CB 3.96Å; E260-L264 VanDerWaalsContact CG-O 3.3Å; E260-L264 WeakPolarHBondContact CG-O 3.28Å; E260-L264 PolarHBondContact N-O 2.84Å; E260-L264 WeakPolarHBondContact OE1-CB 3.37Å; E260-L264 WeakPolarHBondContact OE1-CD1 3.25Å; E260-L264 WeakPolarHBondContact OE1-CG 3.5Å; E260-A266 HydrophobicContact CB-CB 3.85Å; E260-A266 HydrophobicContact CG-CB 4.24Å; E260-E292 HydrophobicContact CB-CG 4.31Å; E260-R301 VanDerWaalsContact C-NH1 3.31Å
261S72.7Confident87.6Confident104 Ų10452.2 Ų52.273%0.72727%0.273SS*.THydrogen-bonded Turntrans-65.4-17-172.7-51.80000115R301S261-R301 PolarHBondContact OG-NH2 3.17Å
262R70.3Confident87.6Confident200 Ų20052.5 Ų52.576%0.75528%0.275SS*.THydrogen-bonded Turntrans-89.80.5171.6-52.1171.5-75.9-151-11.8113.4E260E260-R262 PolarHBondContact O-N 3.11Å; E260-R262 VanDerWaalsContact O-N 3.14Å; E260-R262 WeakPolarHBondContact OE1-CB 3.41Å; E260-R262 IonicContact OE1-CZ 2.71Å; E260-R262 IonicContact OE1-NE 2.82Å; E260-R262 PolarHBondContact OE1-NE 3.12Å; E260-R262 IonicContact OE1-NH2 3.83Å; E260-R262 PolarHBondContact OE1-NH2 3.3Å; E260-R262 IonicContact OE2-CZ 3.65Å; E260-R262 IonicContact OE2-NE 3.73Å; E260-R262 PolarHBondContact OE2-NE 2.92Å; E260-R262 VanDerWaalsContact OE2-NE 3.13Å; E260-R262 IonicContact OE2-NH2 3.35Å; E260-R262 PolarHBondContact OE2-NH2 3.13Å
263G74.9Confident87.5Confident42 Ų4255 Ų5543%0.43329%0.287SS..SBendtrans88.1-3178.900000115.8K259 E260K259-G263 WeakPolarHBondContact CD-O 3.49Å; E260-G263 PolarHBondContact O-N 3.4Å
264L79.3Confident87.5Confident110 Ų11054.9 Ų54.958%0.57629%0.287SS*.SBendtrans-72.6152.4172.6-54.9-179.8000111.1K259 E260 A266K259-L264 CarbonylContact C-O 3.53Å; K259-L264 WeakPolarHBondContact CA-O 3.49Å; K259-L264 WeakPolarHBondContact CB-O 3.42Å; E260-L264 HydrophobicContact CG-CB 3.96Å; E260-L264 VanDerWaalsContact CG-O 3.3Å; E260-L264 WeakPolarHBondContact CG-O 3.28Å; E260-L264 PolarHBondContact N-O 2.84Å; E260-L264 WeakPolarHBondContact OE1-CB 3.37Å; E260-L264 WeakPolarHBondContact OE1-CD1 3.25Å; E260-L264 WeakPolarHBondContact OE1-CG 3.5Å; L264-A266 PolarHBondContact O-N 3.46Å
265E84.2Confident87.6Confident92 Ų9252 Ų5243%0.4328%0.275SS..EExtended strand (participates in β ladder)trans-75.4111.6176.2-64.6-179.4170.300110.6V257 K259 K268V257-E265 HydrophobicContact CG1-CG 4.02Å; K259-E265 HydrophobicContact CG-CG 4.18Å; E265-K268 HydrophobicContact CB-CG 3.89Å; E265-K268 VanDerWaalsContact O-CE 3.23Å; E265-K268 WeakPolarHBondContact O-CE 3.35Å
266A85.8Confident87.5Confident14 Ų1450.2 Ų50.212%0.11626%0.261CS..EExtended strand (participates in β ladder)trans-97.8-23.9179.400000112.5V258 E260 L264 G289 E292 G471V258-A266 PolarHBondContact O-N 2.88Å; E260-A266 HydrophobicContact CB-CB 3.85Å; E260-A266 HydrophobicContact CG-CB 4.24Å; L264-A266 PolarHBondContact O-N 3.46Å; A266-G289 WeakPolarHBondContact O-CA 3.38Å; A266-E292 HydrophobicContact CB-CB 4.09Å; A266-E292 HydrophobicContact CB-CG 3.7Å; A266-G471 WeakPolarHBondContact O-CA 3.41Å
267V90.7Very high87.4Confident0 Ų050.3 Ų50.30%026%0.262CS..EExtended strand (participates in β ladder)trans-125.5132.8166.9-174.40000107.2V257 V258 L270 G289 E292 L293 G471V257-V267 WeakPolarHBondContact CA-O 3.34Å; V258-V267 HydrophobicContact CB-CB 3.82Å; V258-V267 HydrophobicContact CB-CG2 3.94Å; V258-V267 HydrophobicContact CG2-CB 3.9Å; V258-V267 HydrophobicContact CG2-CG1 4.45Å; V258-V267 HydrophobicContact CG2-CG2 4.12Å; V258-V267 PolarHBondContact N-O 3.22Å; V258-V267 PolarHBondContact O-N 2.94Å; V267-L270 HydrophobicContact CG1-CB 3.43Å; V267-L270 VanDerWaalsContact CG1-CB 3.43Å; V267-L270 HydrophobicContact CG1-CD1 3.77Å; V267-L270 HydrophobicContact CG1-CG 4.17Å; V267-G289 WeakPolarHBondContact CG2-O 3.39Å; V267-E292 HydrophobicContact CG2-CB 4.05Å; V267-L293 HydrophobicContact CG2-CB 3.97Å; V267-G471 WeakPolarHBondContact CA-O 3.48Å
268K88.9Confident87.5Confident59 Ų5950.2 Ų50.226%0.25726%0.261SS..EExtended strand (participates in β ladder)trans-130.9114.3-170.3-65.9169.8-169.81470110.3L256 E265 L270 A470 G471 E472L256-K268 CarbonylContact O-C 3.39Å; E265-K268 HydrophobicContact CB-CG 3.89Å; E265-K268 VanDerWaalsContact O-CE 3.23Å; E265-K268 WeakPolarHBondContact O-CE 3.35Å; K268-L270 PolarHBondContact O-N 2.91Å; K268-A470 WeakPolarHBondContact CE-O 3.38Å; K268-A470 PolarHBondContact NZ-O 3.16Å; K268-G471 PolarHBondContact N-O 3.2Å; K268-E472 HydrophobicContact CB-CG 3.8Å; K268-E472 HydrophobicContact CD-CG 4.47Å
269N88.1Confident87.6Confident95 Ų9550.2 Ų50.251%0.50826%0.261SS..EExtended strand (participates in β ladder)trans46.728.8176.7-56.2-69.4000114.5N255 L256 S271N255-N269 WeakPolarHBondContact CA-O 3.44Å; L256-N269 WeakPolarHBondContact O-CA 3.43Å; L256-N269 PolarHBondContact O-N 3.36Å; N269-S271 PolarHBondContact O-N 2.94Å
270L92.8Very high88Confident3 Ų347 Ų472%0.01625%0.247CC..EExtended strand (participates in β ladder)trans-67.9131.9-169.2-175.6150.6000110.3I253 N255 L256 V267 K268 L272 L293 I468 I473I253-L270 HydrophobicContact CB-CD2 4.5Å; I253-L270 HydrophobicContact CD1-CD2 4.17Å; I253-L270 HydrophobicContact CG2-CD2 3.99Å; N255-L270 PolarHBondContact N-O 2.86Å; L256-L270 HydrophobicContact CB-CB 4.4Å; L256-L270 WeakPolarHBondContact CB-O 3.22Å; L256-L270 PolarHBondContact N-O 3.47Å; L256-L270 PolarHBondContact O-N 3.45Å; V267-L270 HydrophobicContact CG1-CB 3.43Å; V267-L270 VanDerWaalsContact CG1-CB 3.43Å; V267-L270 HydrophobicContact CG1-CD1 3.77Å; V267-L270 HydrophobicContact CG1-CG 4.17Å; K268-L270 PolarHBondContact O-N 2.91Å; L270-L272 HydrophobicContact CD2-CB 4.26Å; L270-L293 HydrophobicContact CD1-CD1 4.39Å; L270-L293 HydrophobicContact CD1-CD2 4.04Å; L270-L293 HydrophobicContact CD2-CD1 4.02Å; L270-L293 HydrophobicContact CD2-CD2 4.46Å; L270-I468 HydrophobicContact CD1-CD1 3.83Å; L270-I468 HydrophobicContact CD1-CG1 4.46Å; L270-I473 HydrophobicContact CD1-CD1 3.97Å; L270-I473 HydrophobicContact CD1-CG1 3.93Å; L270-I473 HydrophobicContact CD2-CG1 4.5Å; L270-I473 HydrophobicContact CG-CG1 3.95Å
271S93Very high88.6Confident54 Ų5445.4 Ų45.438%0.37824%0.24SC..EExtended strand (participates in β ladder)trans-131.1130.8176.4-56.90000110.3I253 N255 N269I253-S271 WeakPolarHBondContact O-CA 3.22Å; N255-S271 PolarHBondContact N-OG 2.85Å; N255-S271 PolarHBondContact OD1-OG 2.77Å; N269-S271 PolarHBondContact O-N 2.94Å
272L94.5Very high89.5Confident6 Ų640.5 Ų40.53%0.03121%0.205CC..EExtended strand (participates in β ladder)trans-160.8134.6-176.8-179.864.6000109.9I253 L270 V280 I282 L449 A466 I476I253-L272 WeakPolarHBondContact CB-O 3.45Å; I253-L272 HydrophobicContact CD1-CB 4.32Å; I253-L272 PolarHBondContact N-O 3.28Å; I253-L272 PolarHBondContact O-N 3.15Å; I253-L272 VanDerWaalsContact O-N 3.08Å; L270-L272 HydrophobicContact CD2-CB 4.26Å; L272-V280 HydrophobicContact CD1-CG1 4.48Å; L272-V280 HydrophobicContact CD2-CG1 4.36Å; L272-I282 HydrophobicContact CD2-CD1 4.28Å; L272-L449 HydrophobicContact CD2-CD1 4.37Å; L272-A466 HydrophobicContact CD1-CB 4.04Å; L272-A466 HydrophobicContact CD2-CB 4.31Å; L272-I476 HydrophobicContact CD1-CD1 3.89Å
273D94.5Very high90.1Very high61 Ų6131 Ų3133%0.32617%0.169SC..EExtended strand (participates in β ladder)trans-114.1133.1174.7-66.5-29.4000110.7V249 L251 S252V249-D273 HydrophobicContact CG1-CB 4.16Å; L251-D273 WeakPolarHBondContact O-CA 3.44Å; S252-D273 VanDerWaalsContact CA-OD1 3.23Å; S252-D273 WeakPolarHBondContact CA-OD1 3.45Å; S252-D273 WeakPolarHBondContact CB-OD1 3.48Å; S252-D273 PolarHBondContact OG-OD1 2.85Å
274V95Very high89.9Confident0 Ų029 Ų290%015%0.149CC..EExtended strand (participates in β ladder)trans-118.9131.4173.6-172.50000108.9V250 L251 E278 V280 L449V250-V274 WeakPolarHBondContact CG1-O 3.44Å; V250-V274 PolarHBondContact N-O 3.21Å; L251-V274 HydrophobicContact CB-CB 4.17Å; L251-V274 HydrophobicContact CB-CG2 4.44Å; L251-V274 HydrophobicContact CD2-CG2 4.08Å; L251-V274 PolarHBondContact N-O 2.86Å; L251-V274 VanDerWaalsContact N-O 3.07Å; L251-V274 PolarHBondContact O-N 3.25Å; V274-E278 WeakPolarHBondContact CA-OE1 3.46Å; V274-E278 HydrophobicContact CG1-CG 4.45Å; V274-V280 HydrophobicContact CB-CG2 4.35Å; V274-V280 HydrophobicContact CG1-CB 4.3Å; V274-V280 HydrophobicContact CG1-CG2 3.91Å; V274-V280 HydrophobicContact CG2-CB 4.11Å; V274-V280 HydrophobicContact CG2-CG1 4.44Å; V274-V280 HydrophobicContact CG2-CG2 4.09Å; V274-L449 HydrophobicContact CG2-CD1 4.09Å
275H94.3Very high89.4Confident48 Ų4827 Ų2722%0.22214%0.138CC..EExtended strand (participates in β ladder)trans-99.7164.7-178.6-50.775.3000111.5P246 G247 E248 E278 G447P246-H275 HydrophobicContact CB-CB 4.12Å; G247-H275 PolarHBondContact O-CD2 2.99Å; E248-H275 CarbonylContact O-C 3.51Å; E248-H275 VanDerWaalsContact O-CA 3.31Å; E248-H275 WeakPolarHBondContact O-CA 3.23Å; H275-E278 HydrophobicContact CB-CG 4.05Å; H275-E278 IonicContact CE1-OE1 2.7Å; H275-E278 IonicContact CG-OE1 2.94Å; H275-E278 PolarHBondContact N-OE1 3.2Å; H275-E278 IonicContact ND1-OE1 3.28Å; H275-E278 PolarHBondContact ND1-OE1 3.47Å; H275-E278 IonicContact ND1-OE2 3.75Å; H275-E278 WeakPolarHBondContact O-CG 3.25Å; H275-G447 VanDerWaalsContact O-CA 3.26Å; H275-G447 WeakPolarHBondContact O-CA 3.47Å
276R92.3Very high88.6Confident60 Ų6026.7 Ų26.723%0.22614%0.139CC..THydrogen-bonded Turntrans-61.7142.8161.4-67.3-174.9179-81.7-1.3109.8P246 G247 E248 V250 D415 Q445P246-R276 CarbonylContact C-O 3.23Å; P246-R276 WeakPolarHBondContact CA-O 3.07Å; G247-R276 PolarHBondContact N-O 2.89Å; E248-R276 PolarHBondContact O-N 3.21Å; V250-R276 HydrophobicContact CB-CG 4.14Å; R276-D415 IonicContact CZ-OD1 2.66Å; R276-D415 IonicContact CZ-OD2 3.83Å; R276-D415 IonicContact NH1-OD1 3.16Å; R276-D415 PolarHBondContact NH1-OD1 2.77Å; R276-D415 IonicContact NH1-OD2 2.69Å; R276-D415 IonicContact NH2-OD1 3.22Å; R276-D415 PolarHBondContact NH2-OD1 3.07Å; R276-D415 IonicContact NH2-OD2 3.69Å; R276-D415 PolarHBondContact NH2-OD2 2.82Å; R276-Q445 WeakPolarHBondContact CB-O 3.31Å; R276-Q445 PolarHBondContact NH1-O 3.25Å
277G92.1Very high87.7Confident1 Ų128.9 Ų28.91%0.0116%0.163CC..THydrogen-bonded Turntrans79.314.6172.200000115.7A244 T245 R442 K446A244-G277 WeakPolarHBondContact CB-O 3.37Å; T245-G277 PolarHBondContact N-O 3.04Å; G277-R442 VanDerWaalsContact O-CG 3.28Å; G277-R442 WeakPolarHBondContact O-CG 3.47Å; G277-K446 PolarHBondContact N-O 3.47Å
278E94.5Very high87Confident4 Ų429.7 Ų29.72%0.01917%0.168CC..  trans-130.7151.1168.660.5174.7-171.500112.5P246 V274 H275 V280 V448 R464P246-E278 HydrophobicContact CG-CB 4.39Å; V274-E278 WeakPolarHBondContact CA-OE1 3.46Å; V274-E278 HydrophobicContact CG1-CG 4.45Å; H275-E278 HydrophobicContact CB-CG 4.05Å; H275-E278 IonicContact CE1-OE1 2.7Å; H275-E278 IonicContact CG-OE1 2.94Å; H275-E278 PolarHBondContact N-OE1 3.2Å; H275-E278 IonicContact ND1-OE1 3.28Å; H275-E278 PolarHBondContact ND1-OE1 3.47Å; H275-E278 IonicContact ND1-OE2 3.75Å; H275-E278 WeakPolarHBondContact O-CG 3.25Å; E278-V280 HydrophobicContact CG-CG2 4.18Å; E278-V280 WeakPolarHBondContact OE1-CG2 3.47Å; E278-V448 PolarHBondContact O-N 2.78Å; E278-V448 VanDerWaalsContact O-N 3.12Å; E278-R464 IonicContact OE1-NH1 2.7Å; E278-R464 PolarHBondContact OE1-NH1 2.84Å; E278-R464 WeakPolarHBondContact OE2-CD 3.21Å; E278-R464 IonicContact OE2-CZ 3.74Å; E278-R464 IonicContact OE2-NE 2.4Å; E278-R464 IonicContact OE2-NH1 2.62Å; E278-R464 PolarHBondContact OE2-NH1 3.4Å
279V94.9Very high86.8Confident0 Ų026.9 Ų26.90%016%0.156CC..EExtended strand (participates in β ladder)trans-97.8118.8160.3-177.30000108.7R442 V448 L450 V461 D463 R464V279-R442 HydrophobicContact CG2-CB 4.02Å; V279-R442 HydrophobicContact CG2-CG 4.37Å; V279-V448 WeakPolarHBondContact CA-O 3.13Å; V279-V448 HydrophobicContact CB-CB 4.35Å; V279-V448 HydrophobicContact CG1-CB 4.24Å; V279-V448 HydrophobicContact CG1-CG1 4.19Å; V279-V448 HydrophobicContact CG2-CB 3.99Å; V279-V448 HydrophobicContact CG2-CG1 4.44Å; V279-V448 HydrophobicContact CG2-CG2 4.32Å; V279-L450 HydrophobicContact CG1-CB 4.02Å; V279-L450 HydrophobicContact CG1-CD2 4.39Å; V279-V461 HydrophobicContact CG1-CG1 4.31Å; V279-D463 PolarHBondContact N-OD2 3.46Å; V279-D463 PolarHBondContact O-N 2.92Å; V279-R464 PolarHBondContact O-N 2.84Å
280V95.2Very high86.7Confident1 Ų122.5 Ų22.51%0.00613%0.132CC..EExtended strand (participates in β ladder)trans-98.9116170.4175.70000108.9L272 V274 E278 V448 L449 L450 R464L272-V280 HydrophobicContact CD1-CG1 4.48Å; L272-V280 HydrophobicContact CD2-CG1 4.36Å; V274-V280 HydrophobicContact CB-CG2 4.35Å; V274-V280 HydrophobicContact CG1-CB 4.3Å; V274-V280 HydrophobicContact CG1-CG2 3.91Å; V274-V280 HydrophobicContact CG2-CB 4.11Å; V274-V280 HydrophobicContact CG2-CG1 4.44Å; V274-V280 HydrophobicContact CG2-CG2 4.09Å; E278-V280 HydrophobicContact CG-CG2 4.18Å; E278-V280 WeakPolarHBondContact OE1-CG2 3.47Å; V280-V448 PolarHBondContact N-O 3.11Å; V280-L449 HydrophobicContact CB-CD1 4.25Å; V280-L449 HydrophobicContact CG1-CD1 4.11Å; V280-L449 WeakPolarHBondContact O-CA 3.48Å; V280-L450 PolarHBondContact O-N 2.66Å; V280-R464 WeakPolarHBondContact CA-O 3.4Å
281G93.3Very high86.4Confident0 Ų023.5 Ų23.50%014%0.138CC..EExtended strand (participates in β ladder)trans-80.9146.3172.700000112L450 S462 R464 I465 A466G281-L450 CarbonylContact C-O 3.41Å; G281-L450 WeakPolarHBondContact CA-O 3.3Å; G281-S462 WeakPolarHBondContact CA-OG 3.48Å; G281-R464 PolarHBondContact N-O 3.26Å; G281-I465 CarbonylContact O-C 2.97Å; G281-I465 WeakPolarHBondContact O-CA 3.36Å; G281-A466 PolarHBondContact O-N 3.18Å
282I91.2Very high86.2Confident0 Ų022.1 Ų22.10%013%0.126CC..EExtended strand (participates in β ladder)trans-117.8122.4164.2-62.2-177000109.1L272 Q290 L293 L449 L450 V451 S452 I458 A466 I468L272-I282 HydrophobicContact CD2-CD1 4.28Å; I282-Q290 HydrophobicContact CG2-CG 4.34Å; I282-L293 HydrophobicContact CD1-CD2 3.65Å; I282-L449 HydrophobicContact CD1-CD1 3.88Å; I282-L449 HydrophobicContact CD1-CG 4.41Å; I282-L449 HydrophobicContact CG1-CD1 4.01Å; I282-L450 PolarHBondContact N-O 2.89Å; I282-V451 HydrophobicContact CB-CG2 4.18Å; I282-V451 HydrophobicContact CD1-CG2 4.35Å; I282-S452 PolarHBondContact O-N 2.96Å; I282-I458 VanDerWaalsContact O-CD1 3.26Å; I282-I458 WeakPolarHBondContact O-CD1 3.48Å; I282-A466 VanDerWaalsContact CA-O 3.3Å; I282-A466 WeakPolarHBondContact CA-O 3.34Å; I282-I468 HydrophobicContact CG2-CB 4.15Å; I282-I468 HydrophobicContact CG2-CG2 3.58Å
283A82.3Confident86.2Confident0 Ų021.8 Ų21.80%012%0.124CC..EExtended strand (participates in β ladder)trans-121.6147.6-179.500000112.3L455 I458 I465 A466 V467 I468 L487A283-L455 HydrophobicContact CB-CD2 4.46Å; A283-I458 HydrophobicContact CB-CD1 3.67Å; A283-I465 HydrophobicContact CB-CG2 4Å; A283-A466 PolarHBondContact N-O 3.21Å; A283-A466 VanDerWaalsContact N-O 3.14Å; A283-V467 CarbonylContact O-C 3.6Å; A283-V467 WeakPolarHBondContact O-CA 3.31Å; A283-I468 PolarHBondContact O-N 2.87Å; A283-L487 HydrophobicContact CB-CD2 3.6Å
284G71Confident86Confident1 Ų119.1 Ų19.11%0.0111%0.11CC..  trans149.3158.3177.500000112.2Q290 M491G284-Q290 PolarHBondContact O-NE2 2.87Å; G284-M491 WeakPolarHBondContact O-CE 3.45Å; G284-M491 VanDerWaalsContact O-SD 3.38Å
285I68.5Low85.8Confident68 Ų6820 Ų2035%0.34911%0.114SC..  trans-49.6144-177.1-31.3-167.5000111.4N288 Q290 L490I285-N288 WeakPolarHBondContact CA-ND2 3.35Å; I285-N288 WeakPolarHBondContact CB-ND2 3.46Å; I285-N288 WeakPolarHBondContact CG1-ND2 3.45Å; I285-N288 PolarHBondContact N-ND2 2.91Å; I285-N288 VanDerWaalsContact N-ND2 3.19Å; I285-N288 WeakPolarHBondContact O-CB 3.41Å; I285-N288 PolarHBondContact O-N 2.9Å; I285-N288 PolarHBondContact O-ND2 3.32Å; I285-Q290 PolarHBondContact O-NE2 3.14Å; I285-Q290 PolarHBondContact O-OE1 2.84Å; I285-L490 WeakPolarHBondContact CA-O 3.38Å; I285-L490 WeakPolarHBondContact CB-O 3.47Å; I285-L490 HydrophobicContact CD1-CD2 4.07Å; I285-L490 HydrophobicContact CG1-CB 3.88Å; I285-L490 HydrophobicContact CG1-CD2 3.7Å; I285-L490 HydrophobicContact CG1-CG 4.42Å; I285-L490 WeakPolarHBondContact CG1-O 3.28Å; I285-L490 WeakPolarHBondContact CG2-O 3.4Å
286D67Low85.7Confident85 Ų8518 Ų1846%0.45511%0.105SC..THydrogen-bonded Turntrans-47.6141.2165-160.2-6000110.9F453D286-F453 HydrophobicContact CB-CE1 4.49Å; D286-F453 HydrophobicContact CB-CE2 3.57Å; D286-F453 HydrophobicContact CB-CZ 3.56Å; D286-F453 VanDerWaalsContact CG-CE2 3.41Å; D286-F453 WeakPolarHBondContact OD1-CZ 3.35Å; D286-F453 WeakPolarHBondContact OD2-CE2 3.37Å
287G68.3Low85.7Confident60 Ų6015.1 Ų15.162%0.61910%0.095SC*.THydrogen-bonded Turntrans77.16.8-175.100000117G289G287-G289 PolarHBondContact O-N 2.93Å
288N75.7Confident85.6Confident17 Ų1715.5 Ų15.59%0.09110%0.097CC..SBendtrans-79.213.6169.1-78.6-70.5000114.2I285 I468 H469 A470 G471I285-N288 WeakPolarHBondContact CA-ND2 3.35Å; I285-N288 WeakPolarHBondContact CB-ND2 3.46Å; I285-N288 WeakPolarHBondContact CG1-ND2 3.45Å; I285-N288 PolarHBondContact N-ND2 2.91Å; I285-N288 VanDerWaalsContact N-ND2 3.19Å; I285-N288 WeakPolarHBondContact O-CB 3.41Å; I285-N288 PolarHBondContact O-N 2.9Å; I285-N288 PolarHBondContact O-ND2 3.32Å; N288-I468 HydrophobicContact CB-CG2 4.42Å; N288-I468 WeakPolarHBondContact O-CD1 3.2Å; N288-H469 WeakPolarHBondContact OD1-CA 3.32Å; N288-H469 PolarHBondContact OD1-ND1 3.09Å; N288-A470 PolarHBondContact OD1-N 3.33Å; N288-G471 WeakPolarHBondContact O-CA 3.38Å; N288-G471 PolarHBondContact O-N 3.01Å
289G83.8Confident85.4Confident0 Ų016.3 Ų16.30%011%0.106CC..SBendtrans93.89.7178.400000115.4A266 V267 G287 E292 L293A266-G289 WeakPolarHBondContact O-CA 3.38Å; V267-G289 WeakPolarHBondContact CG2-O 3.39Å; G287-G289 PolarHBondContact O-N 2.93Å; G289-E292 PolarHBondContact O-N 2.79Å; G289-L293 WeakPolarHBondContact O-CB 3.36Å; G289-L293 PolarHBondContact O-N 2.87Å
290Q85.9Confident85.1Confident4 Ų418.7 Ų18.72%0.01912%0.118CC..Hα-helixtrans-57.7-51.4174.5-62.383.7-18.200111.1I282 G284 I285 L293 I294 V451 I468I282-Q290 HydrophobicContact CG2-CG 4.34Å; G284-Q290 PolarHBondContact O-NE2 2.87Å; I285-Q290 PolarHBondContact O-NE2 3.14Å; I285-Q290 PolarHBondContact O-OE1 2.84Å; Q290-L293 WeakPolarHBondContact O-CB 3.4Å; Q290-L293 PolarHBondContact O-N 2.82Å; Q290-I294 WeakPolarHBondContact O-CB 3.44Å; Q290-I294 VanDerWaalsContact O-CG1 3.24Å; Q290-I294 WeakPolarHBondContact O-CG1 3.33Å; Q290-I294 PolarHBondContact O-N 2.78Å; Q290-V451 HydrophobicContact CB-CG1 3.88Å; Q290-V451 HydrophobicContact CG-CG1 3.92Å; Q290-I468 HydrophobicContact CG-CG2 3.83Å
291T86.5Confident84.8Confident23 Ų2320.9 Ų20.914%0.14113%0.126CC..Hα-helixtrans-63.1-43.2-179.3-63.40000110.7Q295 E333T291-Q295 VanDerWaalsContact O-CB 3.27Å; T291-Q295 WeakPolarHBondContact O-CB 3.37Å; T291-Q295 WeakPolarHBondContact O-CG 3.26Å; T291-Q295 PolarHBondContact O-N 2.95Å; T291-E333 WeakPolarHBondContact CB-OE2 3.47Å; T291-E333 VanDerWaalsContact CG2-OE1 3.28Å; T291-E333 WeakPolarHBondContact CG2-OE1 3.37Å; T291-E333 WeakPolarHBondContact CG2-OE2 3.37Å; T291-E333 PolarHBondContact OG1-OE2 2.87Å
292E89.8Confident84.6Confident25 Ų2528 Ų2812%0.11716%0.158CC..Hα-helixtrans-63.6-42.1173.5-77.764.4-147.200113.2V258 E260 A266 V267 G289 Q295 A296 R301V258-E292 HydrophobicContact CG1-CB 4.04Å; E260-E292 HydrophobicContact CB-CG 4.31Å; A266-E292 HydrophobicContact CB-CB 4.09Å; A266-E292 HydrophobicContact CB-CG 3.7Å; V267-E292 HydrophobicContact CG2-CB 4.05Å; G289-E292 PolarHBondContact O-N 2.79Å; E292-Q295 PolarHBondContact O-N 2.84Å; E292-A296 VanDerWaalsContact O-CB 3.28Å; E292-A296 WeakPolarHBondContact O-CB 3.2Å; E292-A296 PolarHBondContact O-N 2.92Å; E292-R301 IonicContact OE1-CZ 3.75Å; E292-R301 IonicContact OE1-NH2 3.99Å
293L93.1Very high84.6Confident0 Ų028.7 Ų28.70%016%0.162CC..Hα-helixtrans-60.6-51.2175.8173.962.9000110.6I253 L256 V267 L270 I282 G289 Q290 Q295 A296 L297 I468I253-L293 HydrophobicContact CD1-CD1 4.22Å; L256-L293 HydrophobicContact CD2-CD1 3.68Å; V267-L293 HydrophobicContact CG2-CB 3.97Å; L270-L293 HydrophobicContact CD1-CD1 4.39Å; L270-L293 HydrophobicContact CD1-CD2 4.04Å; L270-L293 HydrophobicContact CD2-CD1 4.02Å; L270-L293 HydrophobicContact CD2-CD2 4.46Å; I282-L293 HydrophobicContact CD1-CD2 3.65Å; G289-L293 WeakPolarHBondContact O-CB 3.36Å; G289-L293 PolarHBondContact O-N 2.87Å; Q290-L293 WeakPolarHBondContact O-CB 3.4Å; Q290-L293 PolarHBondContact O-N 2.82Å; L293-Q295 PolarHBondContact O-N 3.38Å; L293-A296 PolarHBondContact O-N 2.69Å; L293-A296 VanDerWaalsContact O-N 3.17Å; L293-L297 HydrophobicContact CD1-CD1 4.07Å; L293-L297 HydrophobicContact CD1-CG 4.16Å; L293-L297 HydrophobicContact CG-CD1 4.11Å; L293-L297 WeakPolarHBondContact O-CB 3.48Å; L293-L297 VanDerWaalsContact O-CG 3.29Å; L293-L297 WeakPolarHBondContact O-CG 3.36Å; L293-L297 PolarHBondContact O-N 3.14Å; L293-I468 HydrophobicContact CD2-CD1 4.47Å
294I91.8Very high85Confident4 Ų432.5 Ų32.52%0.02118%0.18CC..Hα-helixtrans-65.3-40.8-179.6-64.1-72.7000110.8Q290 A296 L297 T298 H330 I418 L449 V451Q290-I294 WeakPolarHBondContact O-CB 3.44Å; Q290-I294 VanDerWaalsContact O-CG1 3.24Å; Q290-I294 WeakPolarHBondContact O-CG1 3.33Å; Q290-I294 PolarHBondContact O-N 2.78Å; I294-A296 VanDerWaalsContact C-N 3.33Å; I294-A296 PolarHBondContact O-N 3.02Å; I294-L297 PolarHBondContact O-N 2.85Å; I294-T298 WeakPolarHBondContact O-CB 2.87Å; I294-T298 WeakPolarHBondContact O-CG2 3.44Å; I294-T298 PolarHBondContact O-N 2.58Å; I294-T298 PolarHBondContact O-OG1 2.77Å; I294-H330 VanDerWaalsContact CG2-NE2 3.34Å; I294-H330 WeakPolarHBondContact CG2-NE2 3.45Å; I294-I418 HydrophobicContact CD1-CG2 3.36Å; I294-I418 HydrophobicContact CG2-CG2 4.15Å; I294-L449 HydrophobicContact CD1-CD2 4.35Å; I294-V451 HydrophobicContact CD1-CG2 3.47Å; I294-V451 VanDerWaalsContact CD1-CG2 3.47Å; I294-V451 HydrophobicContact CG1-CG2 3.71Å
295Q90.4Very high86.1Confident19 Ų1935.2 Ų35.29%0.08920%0.198CC..Hα-helixtrans-64-35.7173.7-71.6169.412.500112.2T291 E292 L293 G299 L300 R301T291-Q295 VanDerWaalsContact O-CB 3.27Å; T291-Q295 WeakPolarHBondContact O-CB 3.37Å; T291-Q295 WeakPolarHBondContact O-CG 3.26Å; T291-Q295 PolarHBondContact O-N 2.95Å; E292-Q295 PolarHBondContact O-N 2.84Å; L293-Q295 PolarHBondContact O-N 3.38Å; Q295-G299 CarbonylContact O-C 3.55Å; Q295-G299 PolarHBondContact O-N 3.44Å; Q295-G299 VanDerWaalsContact O-N 3.1Å; Q295-L300 HydrophobicContact CB-CB 3.97Å; Q295-L300 HydrophobicContact CG-CB 4.16Å; Q295-L300 WeakPolarHBondContact O-CA 3.19Å; Q295-L300 PolarHBondContact O-N 2.96Å; Q295-R301 HydrophobicContact CB-CB 3.58Å; Q295-R301 PolarHBondContact O-N 2.84Å
296A91.5Very high87.2Confident5 Ų533.2 Ų33.24%0.04120%0.195CC..Hα-helixtrans-71.3-43.9176.100000112.5L256 V258 E292 L293 I294 T298 G299 V303L256-A296 HydrophobicContact CD2-CB 4.46Å; V258-A296 HydrophobicContact CB-CB 4.49Å; V258-A296 HydrophobicContact CG1-CB 4.05Å; V258-A296 HydrophobicContact CG2-CB 3.56Å; E292-A296 VanDerWaalsContact O-CB 3.28Å; E292-A296 WeakPolarHBondContact O-CB 3.2Å; E292-A296 PolarHBondContact O-N 2.92Å; L293-A296 PolarHBondContact O-N 2.69Å; L293-A296 VanDerWaalsContact O-N 3.17Å; I294-A296 VanDerWaalsContact C-N 3.33Å; I294-A296 PolarHBondContact O-N 3.02Å; A296-T298 PolarHBondContact O-N 2.82Å; A296-G299 PolarHBondContact O-N 3.41Å; A296-V303 HydrophobicContact CB-CG2 4.13Å
297L92.1Very high88.5Confident1 Ų132 Ų321%0.00519%0.191CC..Hα-helixtrans-62.3-25.3175.5-69.8177.7000113.2L251 I253 L293 I294 V308 I418 L449L251-L297 HydrophobicContact CD1-CD2 4.14Å; L251-L297 HydrophobicContact CD2-CD1 4.35Å; I253-L297 HydrophobicContact CD1-CD1 3.94Å; I253-L297 HydrophobicContact CD1-CD2 3.72Å; I253-L297 HydrophobicContact CD1-CG 4.35Å; I253-L297 HydrophobicContact CG1-CD2 3.94Å; L293-L297 HydrophobicContact CD1-CD1 4.07Å; L293-L297 HydrophobicContact CD1-CG 4.16Å; L293-L297 HydrophobicContact CG-CD1 4.11Å; L293-L297 WeakPolarHBondContact O-CB 3.48Å; L293-L297 VanDerWaalsContact O-CG 3.29Å; L293-L297 WeakPolarHBondContact O-CG 3.36Å; L293-L297 PolarHBondContact O-N 3.14Å; I294-L297 PolarHBondContact O-N 2.85Å; L297-V308 HydrophobicContact CD2-CB 4.41Å; L297-V308 HydrophobicContact CD2-CG1 3.51Å; L297-V308 HydrophobicContact CD2-CG2 3.96Å; L297-I418 HydrophobicContact CB-CD1 4.12Å; L297-L449 HydrophobicContact CD1-CD2 3.81Å
298T91.1Very high89.7Confident9 Ų929.3 Ų29.36%0.05516%0.162CC..THydrogen-bonded Turntrans-106.87.1-178.560.10000113.4I294 A296 L300 P320 H330 I418I294-T298 WeakPolarHBondContact O-CB 2.87Å; I294-T298 WeakPolarHBondContact O-CG2 3.44Å; I294-T298 PolarHBondContact O-N 2.58Å; I294-T298 PolarHBondContact O-OG1 2.77Å; A296-T298 PolarHBondContact O-N 2.82Å; T298-L300 PolarHBondContact O-N 2.78Å; T298-P320 WeakPolarHBondContact O-CA 3.47Å; T298-P320 VanDerWaalsContact O-CB 3.31Å; T298-P320 WeakPolarHBondContact O-CB 3.48Å; T298-P320 WeakPolarHBondContact O-CG 3.46Å; T298-H330 HydrophobicContact CG2-CB 4.13Å; T298-I418 HydrophobicContact CG2-CD1 3.99Å
299G89.3Confident90.5Very high20 Ų2030.3 Ų30.321%0.20617%0.169CC..THydrogen-bonded Turntrans74.56.3174.800000115.3Q295 A296 R301 K318 P320Q295-G299 CarbonylContact O-C 3.55Å; Q295-G299 PolarHBondContact O-N 3.44Å; Q295-G299 VanDerWaalsContact O-N 3.1Å; A296-G299 PolarHBondContact O-N 3.41Å; G299-R301 VanDerWaalsContact C-N 3.34Å; G299-K318 WeakPolarHBondContact CA-O 2.81Å; G299-P320 WeakPolarHBondContact O-CD 3.36Å
300L88.4Confident90.9Very high50 Ų5030.4 Ų30.426%0.26217%0.169SC..SBendtrans-77.2-19.6175.5-69.6172.3000112.9Q295 T298 P320 E724Q295-L300 HydrophobicContact CB-CB 3.97Å; Q295-L300 HydrophobicContact CG-CB 4.16Å; Q295-L300 WeakPolarHBondContact O-CA 3.19Å; Q295-L300 PolarHBondContact O-N 2.96Å; T298-L300 PolarHBondContact O-N 2.78Å; L300-P320 HydrophobicContact CD2-CG 3.92Å; L300-P320 HydrophobicContact CG-CG 4.25Å; L300-E724 HydrophobicContact CD2-CB 4.21Å
301R90.2Very high90.9Very high47 Ų4732.1 Ų32.118%0.17718%0.182CC..SBendtrans-129.9142.8175.6-175.8170.4-69.5-974.4110.9V258 K259 E260 S261 E292 Q295 G299 V303V258-R301 HydrophobicContact CG1-CG 3.73Å; K259-R301 WeakPolarHBondContact O-CD 3.31Å; K259-R301 PolarHBondContact O-NH1 3.41Å; E260-R301 VanDerWaalsContact C-NH1 3.31Å; S261-R301 PolarHBondContact OG-NH2 3.17Å; E292-R301 IonicContact OE1-CZ 3.75Å; E292-R301 IonicContact OE1-NH2 3.99Å; Q295-R301 HydrophobicContact CB-CB 3.58Å; Q295-R301 PolarHBondContact O-N 2.84Å; G299-R301 VanDerWaalsContact C-N 3.34Å; R301-V303 PolarHBondContact O-N 3.49Å
302K88.9Confident90.8Very high150 Ų15034.5 Ų34.565%0.65221%0.211SC*.  trans-68.7126.1178.9-169.7-136.4170.8-171.20110.3E304K302-E304 IonicContact NZ-OE2 2.79Å; K302-E304 PolarHBondContact NZ-OE2 3.4Å
303V91.8Very high90.8Very high15 Ų1538.8 Ų38.89%0.09123%0.229CC..EExtended strand (participates in β ladder)trans-70.2134.3164.2178.50000109L256 A296 R301 S305 T316L256-V303 HydrophobicContact CD1-CB 4.44Å; L256-V303 HydrophobicContact CD1-CG1 3.59Å; L256-V303 HydrophobicContact CD1-CG2 3.96Å; A296-V303 HydrophobicContact CB-CG2 4.13Å; R301-V303 PolarHBondContact O-N 3.49Å; V303-S305 WeakPolarHBondContact CG1-O 3.26Å; V303-T316 HydrophobicContact CB-CG2 4.24Å; V303-T316 HydrophobicContact CG1-CG2 3.99Å; V303-T316 HydrophobicContact CG2-CG2 4.38Å
304E90.6Very high90.8Very high80 Ų8043.1 Ų43.137%0.37425%0.252SS..EExtended strand (participates in β ladder)trans-90.8-43.3176.3-168.978.2141.400111.3V257 K259 K302V257-E304 HydrophobicContact CB-CB 4.45Å; V257-E304 HydrophobicContact CG1-CB 4.25Å; V257-E304 PolarHBondContact O-N 3.44Å; K259-E304 HydrophobicContact CD-CG 4.36Å; K259-E304 WeakPolarHBondContact CE-OE1 3.46Å; K259-E304 IonicContact NZ-OE1 3.15Å; K259-E304 PolarHBondContact NZ-OE1 3.08Å; K302-E304 IonicContact NZ-OE2 2.79Å; K302-E304 PolarHBondContact NZ-OE2 3.4Å
305S92.8Very high90.7Very high57 Ų5743.1 Ų43.140%0.39925%0.252SS..EExtended strand (participates in β ladder)trans-155.7174.3172.270.70000111.5L256 V257 V303L256-S305 WeakPolarHBondContact CA-O 3.42Å; V257-S305 WeakPolarHBondContact CB-OG 3.42Å; V257-S305 VanDerWaalsContact CG2-OG 3.25Å; V257-S305 WeakPolarHBondContact CG2-OG 3.47Å; V257-S305 PolarHBondContact N-O 3.07Å; V303-S305 WeakPolarHBondContact CG1-O 3.26Å
306G92.7Very high90.8Very high27 Ų2743.9 Ų43.928%0.27826%0.258SS..EExtended strand (participates in β ladder)trans89.6-175.2-171.500000113K254 N255K254-G306 CarbonylContact O-C 3.59Å; K254-G306 WeakPolarHBondContact O-CA 3.18Å; N255-G306 WeakPolarHBondContact O-CA 3.41Å
307T93.2Very high90.5Very high60 Ų6046.3 Ų46.337%0.36828%0.284SS..EExtended strand (participates in β ladder)trans-138.1147.1179.354.30000112K254 T316K254-T307 PolarHBondContact N-O 2.81Å; K254-T307 PolarHBondContact O-N 3Å; T307-T316 WeakPolarHBondContact CA-OG1 3.39Å
308V94.5Very high90.5Very high2 Ų250.4 Ų50.41%0.01230%0.302CS..EExtended strand (participates in β ladder)trans-124.6121.9174.7-1760000108.2L251 L256 L297 V315 T316L251-V308 HydrophobicContact CD1-CG1 3.89Å; L256-V308 HydrophobicContact CD1-CG2 3.69Å; L256-V308 HydrophobicContact CD2-CG2 4.47Å; L297-V308 HydrophobicContact CD2-CB 4.41Å; L297-V308 HydrophobicContact CD2-CG1 3.51Å; L297-V308 HydrophobicContact CD2-CG2 3.96Å; V308-V315 HydrophobicContact CB-CG2 4.12Å; V308-V315 HydrophobicContact CG1-CG2 3.72Å; V308-V315 WeakPolarHBondContact O-CG2 3.09Å; V308-V315 PolarHBondContact O-N 3.49Å; V308-T316 PolarHBondContact N-OG1 2.9Å; V308-T316 PolarHBondContact O-OG1 2.87Å
309T93Very high90.3Very high39 Ų3953.1 Ų53.124%0.23933%0.325CS..EExtended strand (participates in β ladder)trans-122.2135.9176.758.30000111.2L251 S252 K313 D314L251-T309 WeakPolarHBondContact CA-O 3.48Å; S252-T309 WeakPolarHBondContact CB-OG1 3.34Å; S252-T309 PolarHBondContact N-O 3.3Å; S252-T309 PolarHBondContact O-N 3.1Å; S252-T309 PolarHBondContact O-OG1 2.86Å; T309-K313 CarbonylContact C-O 3.56Å; T309-K313 WeakPolarHBondContact CA-O 3.4Å; T309-D314 HydrophobicContact CG2-CB 4.35Å
310I90.4Very high90.3Very high1 Ų153.2 Ų53.21%0.00532%0.322CS..EExtended strand (participates in β ladder)trans-127.9126.3-179.1-61.3-178.9000109.2V250 L251 G312 K313 V315 I323 V328 L416V250-I310 CarbonylContact O-C 3.55Å; V250-I310 VanDerWaalsContact O-CA 3.28Å; V250-I310 WeakPolarHBondContact O-CA 3.42Å; L251-I310 HydrophobicContact CD1-CD1 4.2Å; L251-I310 HydrophobicContact CD1-CG1 3.72Å; I310-G312 PolarHBondContact O-N 3.4Å; I310-G312 VanDerWaalsContact O-N 3.13Å; I310-K313 PolarHBondContact N-O 2.8Å; I310-K313 WeakPolarHBondContact O-CB 3.48Å; I310-K313 PolarHBondContact O-N 3.02Å; I310-V315 HydrophobicContact CB-CG1 4.46Å; I310-V315 HydrophobicContact CB-CG2 4.38Å; I310-V315 HydrophobicContact CD1-CG2 3.79Å; I310-V315 HydrophobicContact CG1-CG2 3.79Å; I310-I323 HydrophobicContact CD1-CG2 4.24Å; I310-V328 HydrophobicContact CD1-CG2 3.61Å; I310-V328 HydrophobicContact CG2-CG2 4.07Å; I310-L416 HydrophobicContact CD1-CD2 3.88Å; I310-L416 HydrophobicContact CG1-CD2 4.35Å
311S86.9Confident90.4Very high40 Ų4053.5 Ų53.528%0.2832%0.32SS..THydrogen-bonded Turntrans43.943.5-171.4-660000112.6V250 K313 D415V250-S311 PolarHBondContact O-N 3.03Å; S311-K313 VanDerWaalsContact C-N 3.3Å; S311-K313 PolarHBondContact O-N 3.34Å; S311-D415 PolarHBondContact OG-OD2 2.9Å
312G84.8Confident90.3Very high73 Ų7355.4 Ų55.475%0.75333%0.33SS*.THydrogen-bonded Turntrans76.6-1.7-178.800000116.7I310I310-G312 PolarHBondContact O-N 3.4Å; I310-G312 VanDerWaalsContact O-N 3.13Å
313K90Very high90.3Very high116 Ų11648.4 Ų48.450%0.50430%0.3SS..EExtended strand (participates in β ladder)trans-97135179.1-60.1168.5-173.7165.30110.7T309 I310 S311 V315 T326T309-K313 CarbonylContact C-O 3.56Å; T309-K313 WeakPolarHBondContact CA-O 3.4Å; I310-K313 PolarHBondContact N-O 2.8Å; I310-K313 WeakPolarHBondContact O-CB 3.48Å; I310-K313 PolarHBondContact O-N 3.02Å; S311-K313 VanDerWaalsContact C-N 3.3Å; S311-K313 PolarHBondContact O-N 3.34Å; K313-V315 PolarHBondContact O-N 3.32Å; K313-T326 HydrophobicContact CD-CG2 4.03Å
314D91.3Very high90.1Very high90 Ų9048.7 Ų48.748%0.48130%0.302SS..EExtended strand (participates in β ladder)trans-73.5117.4171.7-178.68.8000111.3T309 T316T309-D314 HydrophobicContact CG2-CB 4.35Å; D314-T316 WeakPolarHBondContact OD1-CB 3.43Å; D314-T316 PolarHBondContact OD1-N 3.45Å; D314-T316 PolarHBondContact OD1-OG1 2.79Å
315V91.7Very high90Very high4 Ų449.6 Ų49.62%0.02431%0.306CS..  trans-113.510.4179.7-61.60000112.7V308 I310 K313 G317 K318 I323 T326V308-V315 HydrophobicContact CB-CG2 4.12Å; V308-V315 HydrophobicContact CG1-CG2 3.72Å; V308-V315 WeakPolarHBondContact O-CG2 3.09Å; V308-V315 PolarHBondContact O-N 3.49Å; I310-V315 HydrophobicContact CB-CG1 4.46Å; I310-V315 HydrophobicContact CB-CG2 4.38Å; I310-V315 HydrophobicContact CD1-CG2 3.79Å; I310-V315 HydrophobicContact CG1-CG2 3.79Å; K313-V315 PolarHBondContact O-N 3.32Å; V315-G317 PolarHBondContact O-N 3.03Å; V315-K318 HydrophobicContact CB-CG 4.37Å; V315-K318 VanDerWaalsContact O-CG 3.26Å; V315-K318 WeakPolarHBondContact O-CG 3.27Å; V315-K318 PolarHBondContact O-N 3.5Å; V315-I323 HydrophobicContact CB-CG1 4.3Å; V315-T326 HydrophobicContact CG1-CG2 4.11Å
316T91.2Very high89.8Confident35 Ų3547.7 Ų47.722%0.21529%0.292CS..THydrogen-bonded Turntrans-56.9121.9-177.5-47.80000111.2V303 T307 V308 D314 K318V303-T316 HydrophobicContact CB-CG2 4.24Å; V303-T316 HydrophobicContact CG1-CG2 3.99Å; V303-T316 HydrophobicContact CG2-CG2 4.38Å; T307-T316 WeakPolarHBondContact CA-OG1 3.39Å; V308-T316 PolarHBondContact N-OG1 2.9Å; V308-T316 PolarHBondContact O-OG1 2.87Å; D314-T316 WeakPolarHBondContact OD1-CB 3.43Å; D314-T316 PolarHBondContact OD1-N 3.45Å; D314-T316 PolarHBondContact OD1-OG1 2.79Å; T316-K318 PolarHBondContact O-N 3.4Å
317G86.3Confident89.5Confident56 Ų5647.5 Ų47.558%0.57729%0.29SS*.THydrogen-bonded Turntrans64.516.2177.300000115.7V315V315-G317 PolarHBondContact O-N 3.03Å
318K90.7Very high89.5Confident87 Ų8744.8 Ų44.838%0.37827%0.273SS..  trans-74.8155.4175.2-55.6-66.4178.8-178.50110.8G299 V315 T316 H322 I323G299-K318 WeakPolarHBondContact CA-O 2.81Å; V315-K318 HydrophobicContact CB-CG 4.37Å; V315-K318 VanDerWaalsContact O-CG 3.26Å; V315-K318 WeakPolarHBondContact O-CG 3.27Å; V315-K318 PolarHBondContact O-N 3.5Å; T316-K318 PolarHBondContact O-N 3.4Å; K318-H322 HydrophobicContact CB-CB 4.42Å; K318-I323 HydrophobicContact CB-CD1 4.28Å; K318-I323 HydrophobicContact CB-CG1 3.94Å
319A87.5Confident89.3Confident67 Ų6744.7 Ų44.755%0.55427%0.273SS*.  trans-67.9147.8174.900000111.3R321 H322 I323A319-R321 VanDerWaalsContact C-N 3.29Å; A319-R321 PolarHBondContact O-N 2.8Å; A319-R321 VanDerWaalsContact O-N 3.11Å; A319-H322 WeakPolarHBondContact O-CB 3.42Å; A319-H322 PolarHBondContact O-N 3.26Å; A319-I323 PolarHBondContact O-N 3.18Å
320P89.9Confident89.4Confident21 Ų2143.6 Ų43.614%0.13627%0.265CS..Hα-helixtrans-50.7-43.6-172.9-28.632.6000114.2T298 G299 L300 H322 I323 T324T298-P320 WeakPolarHBondContact O-CA 3.47Å; T298-P320 VanDerWaalsContact O-CB 3.31Å; T298-P320 WeakPolarHBondContact O-CB 3.48Å; T298-P320 WeakPolarHBondContact O-CG 3.46Å; G299-P320 WeakPolarHBondContact O-CD 3.36Å; L300-P320 HydrophobicContact CD2-CG 3.92Å; L300-P320 HydrophobicContact CG-CG 4.25Å; P320-H322 VanDerWaalsContact C-N 3.27Å; P320-H322 PolarHBondContact O-N 3.05Å; P320-I323 PolarHBondContact O-N 2.68Å; P320-T324 PolarHBondContact O-N 2.7Å; P320-T324 PolarHBondContact O-OG1 3Å; P320-T324 VanDerWaalsContact O-OG1 3.05Å
321R89.5Confident89.5Confident56 Ų5643.6 Ų43.621%0.21127%0.265CS..Hα-helixtrans-52.9-43.7178.4-164.1179.5-59.9-152.70.5112.7A319 I323 T324 E325 Y355 Y356 E712 G727A319-R321 VanDerWaalsContact C-N 3.29Å; A319-R321 PolarHBondContact O-N 2.8Å; A319-R321 VanDerWaalsContact O-N 3.11Å; R321-I323 VanDerWaalsContact C-N 3.34Å; R321-I323 PolarHBondContact O-N 3.44Å; R321-T324 WeakPolarHBondContact O-CB 3.42Å; R321-T324 PolarHBondContact O-N 2.79Å; R321-E325 WeakPolarHBondContact O-CB 3.34Å; R321-E325 WeakPolarHBondContact O-CG 3.01Å; R321-E325 PolarHBondContact O-N 3.18Å; R321-Y355 PolarHBondContact NH2-OH 3.09Å; R321-Y356 HydrophobicContact CG-CE2 4.34Å; R321-Y356 WeakPolarHBondContact CG-OH 3.23Å; R321-E712 IonicContact CZ-OE1 3.66Å; R321-E712 IonicContact NH1-OE1 3.2Å; R321-E712 IonicContact NH2-OE1 3.88Å; R321-E712 PolarHBondContact NH2-OE1 3.47Å; R321-G727 VanDerWaalsContact CZ-O 3.3Å; R321-G727 PolarHBondContact NE-O 2.95Å; R321-G727 PolarHBondContact NH2-O 3.13Å
322H87.8Confident89.6Confident87 Ų8741.8 Ų41.840%0.40325%0.252SS..Hα-helixtrans-70.3-32.9-178.4-16959.3000112.1K318 A319 P320 E325 T326K318-H322 HydrophobicContact CB-CB 4.42Å; A319-H322 WeakPolarHBondContact O-CB 3.42Å; A319-H322 PolarHBondContact O-N 3.26Å; P320-H322 VanDerWaalsContact C-N 3.27Å; P320-H322 PolarHBondContact O-N 3.05Å; H322-E325 IonicContact ND1-OE2 2.66Å; H322-E325 PolarHBondContact O-N 2.79Å; H322-T326 WeakPolarHBondContact O-CG2 3.19Å; H322-T326 PolarHBondContact O-N 3.44Å; H322-T326 VanDerWaalsContact O-N 3.08Å
323I89.9Confident89.5Confident4 Ų440.2 Ų40.22%0.02123%0.225CC..Hα-helixtrans-70.2-44.7175.3-56.1-176.5000109.7I310 V315 K318 A319 P320 R321 E325 T326 V328I310-I323 HydrophobicContact CD1-CG2 4.24Å; V315-I323 HydrophobicContact CB-CG1 4.3Å; K318-I323 HydrophobicContact CB-CD1 4.28Å; K318-I323 HydrophobicContact CB-CG1 3.94Å; A319-I323 PolarHBondContact O-N 3.18Å; P320-I323 PolarHBondContact O-N 2.68Å; R321-I323 VanDerWaalsContact C-N 3.34Å; R321-I323 PolarHBondContact O-N 3.44Å; I323-E325 VanDerWaalsContact C-N 3.31Å; I323-E325 PolarHBondContact O-N 2.98Å; I323-T326 PolarHBondContact O-N 3.01Å; I323-T326 PolarHBondContact O-OG1 2.94Å; I323-V328 HydrophobicContact CG2-CB 4.26Å; I323-V328 HydrophobicContact CG2-CG2 3.88Å; I323-V328 WeakPolarHBondContact O-CG2 3.5Å
324T88.4Confident89.2Confident20 Ų2037.6 Ų37.612%0.12322%0.217CC..Hα-helixtrans-55.2-46.4171.5-53.50000111.3P320 R321 T326 G327 V328 R412P320-T324 PolarHBondContact O-N 2.7Å; P320-T324 PolarHBondContact O-OG1 3Å; P320-T324 VanDerWaalsContact O-OG1 3.05Å; R321-T324 WeakPolarHBondContact O-CB 3.42Å; R321-T324 PolarHBondContact O-N 2.79Å; T324-T326 VanDerWaalsContact C-N 3.27Å; T324-T326 PolarHBondContact O-N 3.26Å; T324-G327 PolarHBondContact O-N 3.15Å; T324-G327 VanDerWaalsContact O-N 3.11Å; T324-V328 PolarHBondContact O-N 2.86Å; T324-R412 VanDerWaalsContact CG2-NH1 3.34Å
325E87.5Confident88.9Confident100 Ų10035.3 Ų35.347%0.46720%0.201SC..Hα-helixtrans-63.9-22.8176.1-74.7165.8-179.900113.9R321 H322 I323 G327R321-E325 WeakPolarHBondContact O-CB 3.34Å; R321-E325 WeakPolarHBondContact O-CG 3.01Å; R321-E325 PolarHBondContact O-N 3.18Å; H322-E325 IonicContact ND1-OE2 2.66Å; H322-E325 PolarHBondContact O-N 2.79Å; I323-E325 VanDerWaalsContact C-N 3.31Å; I323-E325 PolarHBondContact O-N 2.98Å; E325-G327 PolarHBondContact O-N 3.28Å
326T88.4Confident88.5Confident17 Ų1739 Ų3910%0.10422%0.218CC..THydrogen-bonded Turntrans-75.7-4.9172.553.70000114.8K313 V315 H322 I323 T324K313-T326 HydrophobicContact CD-CG2 4.03Å; V315-T326 HydrophobicContact CG1-CG2 4.11Å; H322-T326 WeakPolarHBondContact O-CG2 3.19Å; H322-T326 PolarHBondContact O-N 3.44Å; H322-T326 VanDerWaalsContact O-N 3.08Å; I323-T326 PolarHBondContact O-N 3.01Å; I323-T326 PolarHBondContact O-OG1 2.94Å; T324-T326 VanDerWaalsContact C-N 3.27Å; T324-T326 PolarHBondContact O-N 3.26Å
327G87.6Confident88Confident22 Ų2241.1 Ų41.123%0.22722%0.224CC..THydrogen-bonded Turntrans109.532.117800000114.3T324 E325 P414 D415 L416T324-G327 PolarHBondContact O-N 3.15Å; T324-G327 VanDerWaalsContact O-N 3.11Å; E325-G327 PolarHBondContact O-N 3.28Å; G327-P414 CarbonylContact O-C 3.48Å; G327-P414 WeakPolarHBondContact O-CA 2.94Å; G327-P414 WeakPolarHBondContact O-CB 3.44Å; G327-D415 PolarHBondContact O-N 3.27Å; G327-L416 PolarHBondContact O-N 2.99Å
328V92Very high88Confident4 Ų439.5 Ų39.52%0.02420%0.201CC..EExtended strand (participates in β ladder)trans-104.3131.5-177.6-176.30000111.8I310 I323 T324 R412 L416 I418I310-V328 HydrophobicContact CD1-CG2 3.61Å; I310-V328 HydrophobicContact CG2-CG2 4.07Å; I323-V328 HydrophobicContact CG2-CB 4.26Å; I323-V328 HydrophobicContact CG2-CG2 3.88Å; I323-V328 WeakPolarHBondContact O-CG2 3.5Å; T324-V328 PolarHBondContact O-N 2.86Å; V328-R412 PolarHBondContact O-NH1 2.88Å; V328-R412 PolarHBondContact O-NH2 2.97Å; V328-L416 WeakPolarHBondContact CA-O 3.35Å; V328-L416 HydrophobicContact CG1-CD2 4.48Å; V328-L416 HydrophobicContact CG2-CD2 4.4Å; V328-I418 HydrophobicContact CG1-CD1 4.11Å; V328-I418 HydrophobicContact CG1-CG1 4.34Å
329G91.6Very high87.8Confident0 Ų035.4 Ų35.40%018%0.183CC..EExtended strand (participates in β ladder)trans-99.7141.7164.300000109.9L416 I418G329-L416 PolarHBondContact N-O 2.72Å; G329-I418 PolarHBondContact O-N 2.92Å
330H93.1Very high88Confident16 Ų1632.2 Ų32.27%0.07416%0.157CC..EExtended strand (participates in β ladder)trans-141.5109.6178.8174.3-151000111.3I294 T298 E409 I418 Y725I294-H330 VanDerWaalsContact CG2-NE2 3.34Å; I294-H330 WeakPolarHBondContact CG2-NE2 3.45Å; T298-H330 HydrophobicContact CG2-CB 4.13Å; H330-E409 PolarHBondContact N-OE2 2.79Å; H330-E409 WeakPolarHBondContact O-CG 3.39Å; H330-I418 CarbonylContact C-O 3.45Å; H330-I418 VanDerWaalsContact CA-O 3.28Å; H330-I418 WeakPolarHBondContact CA-O 3.43Å; H330-Y725 HydrophobicContact CB-CE2 4.29Å; H330-Y725 AromaticContact CE1-CD2 3.91Å; H330-Y725 AromaticContact CE1-CE2 3.89Å; H330-Y725 AromaticContact CG-CE2 3.88Å; H330-Y725 AromaticContact ND1-CD2 3.57Å; H330-Y725 AromaticContact ND1-CE2 3.37Å; H330-Y725 WeakPolarHBondContact ND1-CE2 3.48Å; H330-Y725 WeakPolarHBondContact O-CE2 3.42Å; H330-Y725 PolarHBondContact O-OH 3.18Å
331V92.5Very high88.1Confident1 Ų131.2 Ų31.21%0.00615%0.15CC..EExtended strand (participates in β ladder)trans-93.3112.7170.2-179.90000107.8I405 I406 E409 I418 V419 S420V331-I405 HydrophobicContact CB-CG2 4.45Å; V331-I405 HydrophobicContact CG1-CG2 4.03Å; V331-I405 HydrophobicContact CG2-CG2 4.34Å; V331-I406 HydrophobicContact CG1-CG1 4.15Å; V331-I406 HydrophobicContact CG2-CG1 3.94Å; V331-E409 HydrophobicContact CG2-CB 3.99Å; V331-E409 HydrophobicContact CG2-CG 3.83Å; V331-I418 PolarHBondContact N-O 3.08Å; V331-V419 HydrophobicContact CB-CB 4.47Å; V331-V419 HydrophobicContact CB-CG1 4.1Å; V331-V419 HydrophobicContact CB-CG2 4.47Å; V331-V419 HydrophobicContact CG1-CG1 4.38Å; V331-V419 HydrophobicContact CG2-CG2 4.42Å; V331-S420 PolarHBondContact O-N 2.6Å
332P90.1Very high88Confident2 Ų230.7 Ų30.71%0.01315%0.151CC..  trans-86.1156.1-171.434-34.6000113.1D334 Y338 S420 Y725P332-D334 VanDerWaalsContact C-N 3.28Å; P332-D334 PolarHBondContact O-N 3.04Å; P332-Y338 HydrophobicContact CB-CD2 4.42Å; P332-Y338 HydrophobicContact CB-CG 4.44Å; P332-S420 CarbonylContact C-O 3.5Å; P332-Y725 HydrophobicContact CB-CD2 4.34Å; P332-Y725 HydrophobicContact CB-CE2 4.02Å; P332-Y725 HydrophobicContact CG-CD2 4.29Å; P332-Y725 HydrophobicContact CG-CE2 3.72Å
333E83.2Confident87.9Confident40 Ų4029.5 Ų29.519%0.18715%0.151CC..SBendtrans-54.2-40.7178.369.3-156.7171.800113.2T291 S420T291-E333 WeakPolarHBondContact CB-OE2 3.47Å; T291-E333 VanDerWaalsContact CG2-OE1 3.28Å; T291-E333 WeakPolarHBondContact CG2-OE1 3.37Å; T291-E333 WeakPolarHBondContact CG2-OE2 3.37Å; T291-E333 PolarHBondContact OG1-OE2 2.87Å; E333-S420 WeakPolarHBondContact CA-O 2.92Å
334D82.3Confident87.9Confident60 Ų6029.9 Ų29.932%0.32115%0.154SC..  trans-112.399180-173.8-20.6000109.6P332 H336 K337 Y338 G339P332-D334 VanDerWaalsContact C-N 3.28Å; P332-D334 PolarHBondContact O-N 3.04Å; D334-H336 PolarHBondContact O-N 3.38Å; D334-H336 WeakPolarHBondContact OD1-CA 3.47Å; D334-H336 PolarHBondContact OD1-N 2.82Å; D334-K337 HydrophobicContact CB-CB 3.92Å; D334-K337 PolarHBondContact OD1-N 2.76Å; D334-K337 WeakPolarHBondContact OD2-CB 3.42Å; D334-Y338 HydrophobicContact CB-CD2 4.13Å; D334-Y338 PolarHBondContact O-N 3.33Å; D334-G339 PolarHBondContact O-N 2.91Å; D334-G339 VanDerWaalsContact O-N 3.13Å
335R85.3Confident88.1Confident42 Ų4230.5 Ų30.516%0.15816%0.158CC..Iπ-helixtrans-60.7-21175.350.8167.4170.3-92.9-2.4114.5G339 L340 I405 R424R335-G339 CarbonylContact O-C 3.55Å; R335-G339 WeakPolarHBondContact O-CA 3.33Å; R335-G339 PolarHBondContact O-N 3.49Å; R335-L340 WeakPolarHBondContact O-CB 3.1Å; R335-L340 PolarHBondContact O-N 2.86Å; R335-I405 HydrophobicContact CB-CD1 3.53Å; R335-R424 PolarHBondContact NH1-O 2.87Å; R335-R424 PolarHBondContact NH2-O 3.41Å
336H84.7Confident88.4Confident83 Ų8325.8 Ų25.838%0.38414%0.136SC..Iπ-helixtrans-96.3-39.8-178.6-68.6-178.4000111.9D334 L342 Q401 N719D334-H336 PolarHBondContact O-N 3.38Å; D334-H336 WeakPolarHBondContact OD1-CA 3.47Å; D334-H336 PolarHBondContact OD1-N 2.82Å; H336-L342 HydrophobicContact CB-CD1 4.15Å; H336-Q401 PolarHBondContact NE2-OE1 2.86Å; H336-N719 PolarHBondContact O-ND2 3.06Å
337K79.3Confident88.7Confident78 Ų7825.1 Ų25.134%0.33913%0.132SC..Iπ-helixtrans-76.3-46.7176.5-175.7179.6-179.7-171.60112.3D334 N719 F721 A722D334-K337 HydrophobicContact CB-CB 3.92Å; D334-K337 PolarHBondContact OD1-N 2.76Å; D334-K337 WeakPolarHBondContact OD2-CB 3.42Å; K337-N719 PolarHBondContact O-ND2 3.32Å; K337-N719 PolarHBondContact O-OD1 3.04Å; K337-F721 HydrophobicContact CG-CB 3.87Å; K337-F721 HydrophobicContact CG-CD2 3.94Å; K337-F721 HydrophobicContact CG-CG 3.95Å; K337-F721 CarbonylContact O-C 3.46Å; K337-F721 VanDerWaalsContact O-CB 3.27Å; K337-F721 WeakPolarHBondContact O-CB 3.36Å; K337-A722 PolarHBondContact O-N 3.31Å
338Y86.2Confident89.1Confident23 Ų2325.1 Ų25.19%0.0913%0.126CC..Iπ-helixtrans-110.3-40.1-177.1-56.4-71.3000113.2P332 D334 L340 F721 A722 Y725P332-Y338 HydrophobicContact CB-CD2 4.42Å; P332-Y338 HydrophobicContact CB-CG 4.44Å; D334-Y338 HydrophobicContact CB-CD2 4.13Å; D334-Y338 PolarHBondContact O-N 3.33Å; Y338-L340 PolarHBondContact O-N 3.3Å; Y338-F721 HydrophobicContact CD1-CB 3.9Å; Y338-F721 HydrophobicContact CE1-CB 3.9Å; Y338-F721 HydrophobicContact CE1-CD1 4.23Å; Y338-F721 HydrophobicContact CE1-CG 4.41Å; Y338-A722 VanDerWaalsContact O-CA 3.27Å; Y338-A722 WeakPolarHBondContact O-CA 3.4Å; Y338-A722 WeakPolarHBondContact O-CB 3.44Å; Y338-Y725 WeakPolarHBondContact O-CD1 3.38Å; Y338-Y725 WeakPolarHBondContact O-CE1 3.43Å
339G87.3Confident89.2Confident0 Ų025 Ų250%013%0.125CC..Iπ-helixtrans-68.9-35.1-168.900000115.9D334 R335 R408D334-G339 PolarHBondContact O-N 2.91Å; D334-G339 VanDerWaalsContact O-N 3.13Å; R335-G339 CarbonylContact O-C 3.55Å; R335-G339 WeakPolarHBondContact O-CA 3.33Å; R335-G339 PolarHBondContact O-N 3.49Å; G339-R408 PolarHBondContact O-NH1 3.26Å; G339-R408 PolarHBondContact O-NH2 2.87Å; G339-R408 VanDerWaalsContact O-NH2 3.1Å
340L91.3Very high89.4Confident1 Ų125 Ų251%0.00513%0.125CC..  trans-142.8150.8-168.7-65.9167.9000113.2R335 Y338 L342 N349 A393 Q401 I405 N719R335-L340 WeakPolarHBondContact O-CB 3.1Å; R335-L340 PolarHBondContact O-N 2.86Å; Y338-L340 PolarHBondContact O-N 3.3Å; L340-L342 HydrophobicContact CB-CD2 4.07Å; L340-L342 HydrophobicContact CD1-CD2 4.35Å; L340-N349 WeakPolarHBondContact CA-OD1 3.29Å; L340-N349 HydrophobicContact CD2-CB 3.8Å; L340-N349 WeakPolarHBondContact CD2-OD1 3.36Å; L340-A393 HydrophobicContact CD1-CB 4.44Å; L340-A393 HydrophobicContact CD2-CB 4.46Å; L340-Q401 HydrophobicContact CD1-CB 3.64Å; L340-Q401 HydrophobicContact CD1-CG 3.89Å; L340-I405 HydrophobicContact CD1-CD1 4.17Å; L340-I405 HydrophobicContact CD1-CG1 4.32Å; L340-I405 HydrophobicContact CD2-CG1 4.05Å; L340-I405 HydrophobicContact CG-CD1 3.99Å; L340-I405 HydrophobicContact CG-CG1 3.92Å; L340-N719 PolarHBondContact O-ND2 2.9Å
341I91.9Very high89.4Confident0 Ų024.3 Ų24.30%012%0.122CC..  trans-101.987.5166.8-50.9-172.4000106.8P343 L344 N349 L352 S715 L718 N719 A722I341-P343 VanDerWaalsContact C-CD 3.41Å; I341-P343 VanDerWaalsContact C-N 3.31Å; I341-P343 VanDerWaalsContact O-N 3.11Å; I341-L344 HydrophobicContact CB-CB 4.41Å; I341-L344 HydrophobicContact CB-CD1 3.95Å; I341-L344 HydrophobicContact CB-CG 4.17Å; I341-L344 HydrophobicContact CD1-CD1 4.11Å; I341-L344 HydrophobicContact CG2-CB 4.39Å; I341-L344 HydrophobicContact CG2-CD1 3.84Å; I341-L344 HydrophobicContact CG2-CG 3.76Å; I341-L344 PolarHBondContact O-N 3.02Å; I341-N349 PolarHBondContact N-OD1 3.47Å; I341-N349 PolarHBondContact O-ND2 3.25Å; I341-N349 PolarHBondContact O-OD1 3.42Å; I341-L352 HydrophobicContact CD1-CD1 3.91Å; I341-L352 HydrophobicContact CD1-CD2 4.3Å; I341-L352 HydrophobicContact CG1-CD2 4.12Å; I341-S715 VanDerWaalsContact CD1-CB 3.46Å; I341-L718 HydrophobicContact CG2-CB 3.52Å; I341-L718 HydrophobicContact CG2-CD1 4.14Å; I341-L718 HydrophobicContact CG2-CG 4.49Å; I341-N719 HydrophobicContact CG1-CB 4.28Å; I341-N719 HydrophobicContact CG2-CB 4.31Å; I341-A722 HydrophobicContact CG1-CB 3.92Å
342L88.2Confident89.4Confident44 Ų4424.2 Ų24.223%0.2312%0.122CC..THydrogen-bonded Turntrans-50.6-35.3-168.4-62.3179.5000115.7H336 L340 A393 A394H336-L342 HydrophobicContact CB-CD1 4.15Å; L340-L342 HydrophobicContact CB-CD2 4.07Å; L340-L342 HydrophobicContact CD1-CD2 4.35Å; L342-A393 PolarHBondContact O-N 3.04Å; L342-A394 HydrophobicContact CB-CB 4.09Å; L342-A394 WeakPolarHBondContact O-CB 3.4Å; L342-A394 PolarHBondContact O-N 3.12Å
343P85.7Confident89.4Confident62 Ų6224.3 Ų24.340%0.40312%0.122SC..THydrogen-bonded Turntrans-75.5-18.3176.2-20.335.5000115.5I341 L718I341-P343 VanDerWaalsContact C-CD 3.41Å; I341-P343 VanDerWaalsContact C-N 3.31Å; I341-P343 VanDerWaalsContact O-N 3.11Å; P343-L718 HydrophobicContact CB-CD2 4.25Å; P343-L718 HydrophobicContact CG-CD2 4.23Å
344L89.9Confident89.7Confident13 Ų1322.9 Ų22.97%0.06812%0.116CC..SBendtrans-78.2155.1179.2-70.6-176.3000111.6I341 E348 N349 P392 A393 F711 L718I341-L344 HydrophobicContact CB-CB 4.41Å; I341-L344 HydrophobicContact CB-CD1 3.95Å; I341-L344 HydrophobicContact CB-CG 4.17Å; I341-L344 HydrophobicContact CD1-CD1 4.11Å; I341-L344 HydrophobicContact CG2-CB 4.39Å; I341-L344 HydrophobicContact CG2-CD1 3.84Å; I341-L344 HydrophobicContact CG2-CG 3.76Å; I341-L344 PolarHBondContact O-N 3.02Å; L344-E348 HydrophobicContact CB-CB 4.34Å; L344-E348 HydrophobicContact CD1-CB 4.46Å; L344-N349 PolarHBondContact O-ND2 3.2Å; L344-N349 VanDerWaalsContact O-ND2 3.13Å; L344-P392 WeakPolarHBondContact O-CA 3.28Å; L344-A393 PolarHBondContact O-N 3.18Å; L344-A393 VanDerWaalsContact O-N 3.09Å; L344-F711 HydrophobicContact CD1-CE2 4.22Å; L344-L718 HydrophobicContact CD2-CD1 3.63Å; L344-L718 HydrophobicContact CG-CD1 3.85Å
345P92.9Very high90.2Very high32 Ų3220.1 Ų20.121%0.20810%0.101CC..BIsolated β-bridgetrans-50.8151.9168.7-29.237.7000113.3S347 E348 N349P345-S347 VanDerWaalsContact C-N 3.27Å; P345-S347 PolarHBondContact O-N 3.24Å; P345-E348 HydrophobicContact CB-CB 4.41Å; P345-E348 WeakPolarHBondContact CD-OE1 3.48Å; P345-E348 WeakPolarHBondContact CG-OE1 3.45Å; P345-E348 PolarHBondContact O-N 2.92Å; P345-N349 PolarHBondContact O-N 3.42Å; P345-N349 PolarHBondContact O-ND2 2.7Å
346L93.1Very high90.4Very high1 Ų120.1 Ų20.11%0.00510%0.102CC..Hα-helixtrans-61-35.7173.8-173.462.4000112N349 I350 I379 V384 T386 E389 A391 L396 A404L346-N349 PolarHBondContact O-N 3.28Å; L346-I350 HydrophobicContact CD1-CD1 4.24Å; L346-I350 HydrophobicContact CD1-CG1 4.4Å; L346-I350 HydrophobicContact CG-CD1 3.87Å; L346-I350 HydrophobicContact CG-CG1 4.43Å; L346-I350 WeakPolarHBondContact O-CB 3.4Å; L346-I350 VanDerWaalsContact O-CG1 3.32Å; L346-I350 WeakPolarHBondContact O-CG1 3.17Å; L346-I350 PolarHBondContact O-N 3.12Å; L346-I379 HydrophobicContact CD2-CD1 3.74Å; L346-I379 HydrophobicContact CD2-CG1 3.96Å; L346-I379 HydrophobicContact CG-CD1 4.36Å; L346-V384 HydrophobicContact CD2-CG1 4.08Å; L346-T386 HydrophobicContact CD2-CG2 3.8Å; L346-E389 CarbonylContact C-O 3.55Å; L346-E389 WeakPolarHBondContact CB-O 3.17Å; L346-E389 PolarHBondContact N-O 3.48Å; L346-A391 PolarHBondContact N-O 3.3Å; L346-L396 HydrophobicContact CD1-CD2 3.87Å; L346-L396 HydrophobicContact CD2-CD1 4.47Å; L346-L396 HydrophobicContact CD2-CD2 3.87Å; L346-A404 HydrophobicContact CD1-CB 3.81Å
347S95.5Very high90.6Very high3 Ų320.5 Ų20.52%0.02110%0.103CC..Hα-helixtrans-66-39.5176.863.70000113.5P345 I350 A351 I371 D372 E389P345-S347 VanDerWaalsContact C-N 3.27Å; P345-S347 PolarHBondContact O-N 3.24Å; S347-I350 PolarHBondContact O-N 3.34Å; S347-A351 PolarHBondContact O-N 2.92Å; S347-I371 WeakPolarHBondContact O-CG2 3.37Å; S347-D372 WeakPolarHBondContact CB-OD1 3.33Å; S347-D372 PolarHBondContact OG-OD1 3.39Å; S347-E389 PolarHBondContact N-O 3.22Å
348E95.1Very high91Very high22 Ų2222.5 Ų22.510%0.10311%0.114CC..Hα-helixtrans-66-38.8171.7-78.1-178.5-116.300112L344 P345 A351 L352 Y368 F711 R714L344-E348 HydrophobicContact CB-CB 4.34Å; L344-E348 HydrophobicContact CD1-CB 4.46Å; P345-E348 HydrophobicContact CB-CB 4.41Å; P345-E348 WeakPolarHBondContact CD-OE1 3.48Å; P345-E348 WeakPolarHBondContact CG-OE1 3.45Å; P345-E348 PolarHBondContact O-N 2.92Å; E348-A351 PolarHBondContact O-N 3.29Å; E348-L352 PolarHBondContact O-N 2.94Å; E348-Y368 HydrophobicContact CG-CE1 4.23Å; E348-F711 HydrophobicContact CB-CE2 4.06Å; E348-F711 HydrophobicContact CG-CE2 4.11Å; E348-F711 WeakPolarHBondContact OE2-CE2 3.18Å; E348-R714 IonicContact OE1-NH2 3.72Å; E348-R714 IonicContact OE2-CZ 2.71Å; E348-R714 IonicContact OE2-NH2 3.56Å; E348-R714 PolarHBondContact OE2-NH2 2.82Å
349N95.1Very high91.2Very high1 Ų124.8 Ų24.81%0.00513%0.131CC..Hα-helixtrans-67.1-35175.5-86.2-81.5000113.6L340 I341 L344 P345 L346 L352 R408L340-N349 WeakPolarHBondContact CA-OD1 3.29Å; L340-N349 HydrophobicContact CD2-CB 3.8Å; L340-N349 WeakPolarHBondContact CD2-OD1 3.36Å; I341-N349 PolarHBondContact N-OD1 3.47Å; I341-N349 PolarHBondContact O-ND2 3.25Å; I341-N349 PolarHBondContact O-OD1 3.42Å; L344-N349 PolarHBondContact O-ND2 3.2Å; L344-N349 VanDerWaalsContact O-ND2 3.13Å; P345-N349 PolarHBondContact O-N 3.42Å; P345-N349 PolarHBondContact O-ND2 2.7Å; L346-N349 PolarHBondContact O-N 3.28Å; N349-L352 WeakPolarHBondContact O-CB 3.48Å; N349-L352 PolarHBondContact O-N 3.16Å; N349-R408 WeakPolarHBondContact O-CD 3.32Å; N349-R408 PolarHBondContact O-NH1 3.23Å
350I94.2Very high91.5Very high1 Ų125.7 Ų25.71%0.00514%0.135CC..Hα-helixtrans-73.2-33.5176.1-74.3170.8000111.1L346 S347 L352 Y374 A375 L378 I379 R408L346-I350 HydrophobicContact CD1-CD1 4.24Å; L346-I350 HydrophobicContact CD1-CG1 4.4Å; L346-I350 HydrophobicContact CG-CD1 3.87Å; L346-I350 HydrophobicContact CG-CG1 4.43Å; L346-I350 WeakPolarHBondContact O-CB 3.4Å; L346-I350 VanDerWaalsContact O-CG1 3.32Å; L346-I350 WeakPolarHBondContact O-CG1 3.17Å; L346-I350 PolarHBondContact O-N 3.12Å; S347-I350 PolarHBondContact O-N 3.34Å; I350-L352 VanDerWaalsContact C-N 3.3Å; I350-L352 PolarHBondContact O-N 3.36Å; I350-Y374 HydrophobicContact CG2-CD1 3.8Å; I350-Y374 HydrophobicContact CG2-CE1 3.6Å; I350-A375 HydrophobicContact CD1-CB 4.23Å; I350-A375 HydrophobicContact CG2-CB 4.45Å; I350-L378 HydrophobicContact CG2-CB 4.49Å; I350-L378 HydrophobicContact CG2-CD1 3.69Å; I350-I379 HydrophobicContact CD1-CD1 4.32Å; I350-I379 HydrophobicContact CD1-CG1 4.02Å; I350-R408 WeakPolarHBondContact O-CD 3.4Å; I350-R408 WeakPolarHBondContact O-CG 3.42Å
351A93.8Very high91.5Very high1 Ų125.9 Ų25.91%0.00814%0.137CC..SBendtrans-81.9-1.5173.600000114.3S347 E348 Q353 S354 Y355 I371S347-A351 PolarHBondContact O-N 2.92Å; E348-A351 PolarHBondContact O-N 3.29Å; A351-Q353 VanDerWaalsContact C-N 3.28Å; A351-Q353 PolarHBondContact O-N 2.99Å; A351-Q353 VanDerWaalsContact O-N 3.08Å; A351-S354 PolarHBondContact O-N 3.26Å; A351-S354 PolarHBondContact O-OG 3.32Å; A351-Y355 WeakPolarHBondContact O-CB 3.36Å; A351-Y355 PolarHBondContact O-N 3.41Å; A351-I371 HydrophobicContact CB-CG1 4.15Å; A351-I371 HydrophobicContact CB-CG2 3.85Å
352L92.6Very high91.3Very high0 Ų031.8 Ų31.80%016%0.163CC..THydrogen-bonded Turntrans-57.8-30.6-165.7-175.661.7000115.2I341 E348 N349 I350 Y355 F711 A726 M728I341-L352 HydrophobicContact CD1-CD1 3.91Å; I341-L352 HydrophobicContact CD1-CD2 4.3Å; I341-L352 HydrophobicContact CG1-CD2 4.12Å; E348-L352 PolarHBondContact O-N 2.94Å; N349-L352 WeakPolarHBondContact O-CB 3.48Å; N349-L352 PolarHBondContact O-N 3.16Å; I350-L352 VanDerWaalsContact C-N 3.3Å; I350-L352 PolarHBondContact O-N 3.36Å; L352-Y355 VanDerWaalsContact O-CD1 3.23Å; L352-Y355 WeakPolarHBondContact O-CD1 3.44Å; L352-Y355 WeakPolarHBondContact O-CE1 3.45Å; L352-F711 HydrophobicContact CD1-CE1 4.01Å; L352-F711 HydrophobicContact CD1-CZ 3.92Å; L352-A726 HydrophobicContact CD1-CB 3.97Å; L352-A726 HydrophobicContact CD2-CB 4.32Å; L352-A726 HydrophobicContact CG-CB 3.74Å; L352-M728 HydrophobicContact CD1-CE 3.66Å
353Q90Very high91.1Very high4 Ų436 Ų362%0.01919%0.19CC..THydrogen-bonded Turntrans-89.9-15.3176.5-71.9-68.84.700114A351 Y356 Y725A351-Q353 VanDerWaalsContact C-N 3.28Å; A351-Q353 PolarHBondContact O-N 2.99Å; A351-Q353 VanDerWaalsContact O-N 3.08Å; Q353-Y356 WeakPolarHBondContact O-CE1 3.09Å; Q353-Y725 VanDerWaalsContact NE2-CE1 3.27Å; Q353-Y725 PolarHBondContact NE2-O 3.15Å
354S90.3Very high91.1Very high10 Ų1034.1 Ų34.17%0.0718%0.182CC..THydrogen-bonded Turntrans-122.2-10.5-168.756.70000114.9A351 Y356 H357A351-S354 PolarHBondContact O-N 3.26Å; A351-S354 PolarHBondContact O-OG 3.32Å; S354-Y356 PolarHBondContact O-N 2.93Å; S354-H357 PolarHBondContact O-N 3.18Å
355Y91.4Very high91.1Very high2 Ų237.1 Ų37.11%0.00820%0.197CC..THydrogen-bonded Turntrans-49-21.2-170.371-84.3000117.1R321 A351 L352 S361 L366 T708 F711 E712 M728R321-Y355 PolarHBondContact NH2-OH 3.09Å; A351-Y355 WeakPolarHBondContact O-CB 3.36Å; A351-Y355 PolarHBondContact O-N 3.41Å; L352-Y355 VanDerWaalsContact O-CD1 3.23Å; L352-Y355 WeakPolarHBondContact O-CD1 3.44Å; L352-Y355 WeakPolarHBondContact O-CE1 3.45Å; Y355-S361 WeakPolarHBondContact O-CB 3.22Å; Y355-L366 HydrophobicContact CD2-CD2 4.24Å; Y355-L366 VanDerWaalsContact O-CD2 3.26Å; Y355-L366 WeakPolarHBondContact O-CD2 3.45Å; Y355-T708 HydrophobicContact CD2-CG2 4.1Å; Y355-T708 HydrophobicContact CE2-CG2 4.22Å; Y355-F711 HydrophobicContact CD1-CD1 4.05Å; Y355-F711 AromaticContact CD1-CE1 3.6Å; Y355-F711 HydrophobicContact CD1-CE1 3.6Å; Y355-F711 AromaticContact CD2-CD1 3.49Å; Y355-F711 HydrophobicContact CD2-CD1 3.49Å; Y355-F711 VanDerWaalsContact CD2-CD1 3.49Å; Y355-F711 AromaticContact CD2-CE1 3.88Å; Y355-F711 HydrophobicContact CD2-CE1 3.88Å; Y355-F711 HydrophobicContact CD2-CG 4.39Å; Y355-F711 HydrophobicContact CE1-CD1 4.23Å; Y355-F711 AromaticContact CE1-CE1 4Å; Y355-F711 HydrophobicContact CE1-CE1 4Å; Y355-F711 AromaticContact CE2-CD1 3.7Å; Y355-F711 HydrophobicContact CE2-CD1 3.7Å; Y355-F711 HydrophobicContact CE2-CE1 4.26Å; Y355-F711 AromaticContact CG-CD1 3.7Å; Y355-F711 HydrophobicContact CG-CD1 3.7Å; Y355-F711 AromaticContact CG-CE1 3.55Å; Y355-F711 HydrophobicContact CG-CE1 3.55Å; Y355-E712 HydrophobicContact CE2-CG 4.4Å; Y355-E712 WeakPolarHBondContact OH-CG 3.36Å; Y355-E712 PolarHBondContact OH-OE1 3.32Å; Y355-M728 HydrophobicContact CD1-CE 4.29Å; Y355-M728 HydrophobicContact CE1-CE 3.55Å
356Y90Very high91.1Very high41 Ų4135.9 Ų35.916%0.16119%0.189CC..THydrogen-bonded Turntrans-90.7-16.4-177.952.6-77.4000113.9R321 Q353 S354 S361R321-Y356 HydrophobicContact CG-CE2 4.34Å; R321-Y356 WeakPolarHBondContact CG-OH 3.23Å; Q353-Y356 WeakPolarHBondContact O-CE1 3.09Å; S354-Y356 PolarHBondContact O-N 2.93Å; Y356-S361 WeakPolarHBondContact O-CB 3.46Å; Y356-S361 PolarHBondContact O-OG 3.13Å
357H89.5Confident91.1Very high91 Ų9139.2 Ų39.242%0.42121%0.207SC..SBendtrans-83.1153.4176.8-68.594.6000112.6S354 F360 S361S354-H357 PolarHBondContact O-N 3.18Å; H357-F360 CarbonylContact O-C 3.59Å; H357-F360 WeakPolarHBondContact O-CA 3.46Å; H357-F360 PolarHBondContact O-N 3.27Å; H357-S361 CarbonylContact C-O 3.44Å; H357-S361 PolarHBondContact O-N 2.9Å
358E87.7Confident90.9Very high121 Ų12141.1 Ų41.157%0.56521%0.214SC*.THydrogen-bonded Turntrans-65.3140.7162.9-72.1-165.416400109.5S361 K362E358-S361 WeakPolarHBondContact CA-O 3.4Å; E358-S361 VanDerWaalsContact CG-O 3.25Å; E358-S361 WeakPolarHBondContact CG-O 3.39Å; E358-S361 PolarHBondContact N-O 2.94Å; E358-K362 HydrophobicContact CG-CB 4.49Å; E358-K362 WeakPolarHBondContact OE1-CD 3.44Å; E358-K362 WeakPolarHBondContact OE1-CE 3.33Å; E358-K362 VanDerWaalsContact OE1-CG 3.23Å; E358-K362 WeakPolarHBondContact OE1-CG 3.39Å; E358-K362 IonicContact OE1-NZ 2.91Å; E358-K362 PolarHBondContact OE1-NZ 2.87Å; E358-K362 IonicContact OE2-NZ 2.69Å
359P90.6Very high90.7Very high70 Ų7042.1 Ų42.146%0.45523%0.23SC..THydrogen-bonded Turncis-89.4-2.87.236.8-37000115N367 E370P359-N367 WeakPolarHBondContact O-CB 3.5Å; P359-N367 PolarHBondContact O-ND2 3.05Å; P359-E370 HydrophobicContact CB-CB 4.41Å; P359-E370 HydrophobicContact CB-CG 4.27Å; P359-E370 HydrophobicContact CG-CB 4.46Å
360F92Very high90.6Very high19 Ų1944.4 Ų44.48%0.08324%0.241CC..THydrogen-bonded Turntrans-70.9-30.4-175.8-49.7-55.3000113.6H357 L366 N367 I371 Y374H357-F360 CarbonylContact O-C 3.59Å; H357-F360 WeakPolarHBondContact O-CA 3.46Å; H357-F360 PolarHBondContact O-N 3.27Å; F360-L366 WeakPolarHBondContact O-CA 3.48Å; F360-N367 PolarHBondContact O-N 3.34Å; F360-I371 HydrophobicContact CB-CD1 4.33Å; F360-I371 HydrophobicContact CB-CG1 3.95Å; F360-I371 HydrophobicContact CD1-CG1 3.8Å; F360-I371 HydrophobicContact CG-CG1 4.25Å; F360-Y374 AromaticContact CE1-CD1 3.92Å; F360-Y374 HydrophobicContact CE1-CD1 3.92Å; F360-Y374 AromaticContact CE1-CD2 3.84Å; F360-Y374 HydrophobicContact CE1-CD2 3.84Å; F360-Y374 HydrophobicContact CE1-CE1 4.49Å; F360-Y374 HydrophobicContact CE1-CE2 4.4Å; F360-Y374 AromaticContact CE1-CG 3.55Å; F360-Y374 HydrophobicContact CE1-CG 3.55Å; F360-Y374 HydrophobicContact CE2-CE2 4.48Å; F360-Y374 AromaticContact CZ-CD1 3.93Å; F360-Y374 HydrophobicContact CZ-CD1 3.93Å; F360-Y374 AromaticContact CZ-CD2 3.48Å; F360-Y374 HydrophobicContact CZ-CD2 3.48Å; F360-Y374 VanDerWaalsContact CZ-CD2 3.48Å; F360-Y374 HydrophobicContact CZ-CE1 4.07Å; F360-Y374 AromaticContact CZ-CE2 3.63Å; F360-Y374 HydrophobicContact CZ-CE2 3.63Å; F360-Y374 AromaticContact CZ-CG 3.63Å; F360-Y374 HydrophobicContact CZ-CG 3.63Å; F360-Y374 AromaticContact CZ-CZ 3.93Å
361S92.3Very high90.6Very high5 Ų544.6 Ų44.64%0.03524%0.242CC..EExtended strand (participates in β ladder)trans-136.2133.5173.2145.30000109.8Y355 Y356 H357 E358 I365Y355-S361 WeakPolarHBondContact O-CB 3.22Å; Y356-S361 WeakPolarHBondContact O-CB 3.46Å; Y356-S361 PolarHBondContact O-OG 3.13Å; H357-S361 CarbonylContact C-O 3.44Å; H357-S361 PolarHBondContact O-N 2.9Å; E358-S361 WeakPolarHBondContact CA-O 3.4Å; E358-S361 VanDerWaalsContact CG-O 3.25Å; E358-S361 WeakPolarHBondContact CG-O 3.39Å; E358-S361 PolarHBondContact N-O 2.94Å; S361-I365 CarbonylContact C-O 3.56Å; S361-I365 VanDerWaalsContact CA-O 3.26Å; S361-I365 WeakPolarHBondContact CA-O 3.26Å
362K87.3Confident90.6Very high124 Ų12445.7 Ų45.754%0.53925%0.247SC..EExtended strand (participates in β ladder)trans-118123168.3-178.4165.1-162.392.40108.9E358 G364 I365E358-K362 HydrophobicContact CG-CB 4.49Å; E358-K362 WeakPolarHBondContact OE1-CD 3.44Å; E358-K362 WeakPolarHBondContact OE1-CE 3.33Å; E358-K362 VanDerWaalsContact OE1-CG 3.23Å; E358-K362 WeakPolarHBondContact OE1-CG 3.39Å; E358-K362 IonicContact OE1-NZ 2.91Å; E358-K362 PolarHBondContact OE1-NZ 2.87Å; E358-K362 IonicContact OE2-NZ 2.69Å; K362-G364 PolarHBondContact O-N 2.91Å; K362-G364 VanDerWaalsContact O-N 3.07Å; K362-I365 PolarHBondContact N-O 3.33Å; K362-I365 WeakPolarHBondContact O-CB 3.48Å; K362-I365 PolarHBondContact O-N 3.08Å
363T84.9Confident90.6Very high133 Ų13352.7 Ų52.782%0.81627%0.274SS*.THydrogen-bonded Turntrans47.837.7-178.152.60000113.5
364G85Confident90.9Very high22 Ų2253.9 Ų53.923%0.22728%0.278CS..THydrogen-bonded Turntrans81.85.9-178.900000116K362 T707 T708K362-G364 PolarHBondContact O-N 2.91Å; K362-G364 VanDerWaalsContact O-N 3.07Å; G364-T707 CarbonylContact O-C 3.48Å; G364-T707 WeakPolarHBondContact O-CA 3.4Å; G364-T708 PolarHBondContact O-N 2.53Å; G364-T708 PolarHBondContact O-OG1 2.89Å
365I90.6Very high91.1Very high76 Ų7653.4 Ų53.439%0.3928%0.275SS..EExtended strand (participates in β ladder)trans-103.1124.4176.2-57.4168.2000109.8S361 K362 F702 R706S361-I365 CarbonylContact C-O 3.56Å; S361-I365 VanDerWaalsContact CA-O 3.26Å; S361-I365 WeakPolarHBondContact CA-O 3.26Å; K362-I365 PolarHBondContact N-O 3.33Å; K362-I365 WeakPolarHBondContact O-CB 3.48Å; K362-I365 PolarHBondContact O-N 3.08Å; I365-F702 HydrophobicContact CD1-CZ 4Å; I365-F702 HydrophobicContact CG1-CE1 4.33Å; I365-F702 HydrophobicContact CG1-CZ 4.06Å; I365-F702 HydrophobicContact CG2-CZ 4.11Å; I365-R706 CarbonylContact C-O 3.56Å; I365-R706 WeakPolarHBondContact CA-O 3.44Å
366L92Very high91.2Very high7 Ų758 Ų584%0.03730%0.295CS..EExtended strand (participates in β ladder)trans-76.8125.2-176.9-73.1170.4000113.5Y355 F360 Y368 I371 R706 T708 F711Y355-L366 HydrophobicContact CD2-CD2 4.24Å; Y355-L366 VanDerWaalsContact O-CD2 3.26Å; Y355-L366 WeakPolarHBondContact O-CD2 3.45Å; F360-L366 WeakPolarHBondContact O-CA 3.48Å; L366-Y368 HydrophobicContact CB-CD2 4.14Å; L366-Y368 HydrophobicContact CB-CE2 3.79Å; L366-Y368 HydrophobicContact CD1-CE2 4.37Å; L366-Y368 PolarHBondContact O-N 3.37Å; L366-I371 HydrophobicContact CD2-CD1 4.13Å; L366-R706 PolarHBondContact N-O 3.47Å; L366-T708 HydrophobicContact CD2-CG2 4.2Å; L366-T708 HydrophobicContact CG-CG2 4.38Å; L366-F711 HydrophobicContact CD1-CB 3.64Å; L366-F711 HydrophobicContact CD1-CD2 4.39Å; L366-F711 HydrophobicContact CD1-CG 4.14Å
367N93.7Very high91.4Very high70 Ų7060.7 Ų60.737%0.37431%0.305SS..  trans-96.478.9177.3-170.3-4.7000111.2P359 F360 G369 E370 I371P359-N367 WeakPolarHBondContact O-CB 3.5Å; P359-N367 PolarHBondContact O-ND2 3.05Å; F360-N367 PolarHBondContact O-N 3.34Å; N367-G369 PolarHBondContact O-N 3.11Å; N367-G369 PolarHBondContact OD1-N 2.69Å; N367-E370 WeakPolarHBondContact ND2-CG 3.33Å; N367-E370 PolarHBondContact O-N 2.91Å; N367-I371 PolarHBondContact O-N 3.4Å; N367-I371 VanDerWaalsContact O-N 3.11Å
368Y90.9Very high91.6Very high43 Ų4356.4 Ų56.417%0.16929%0.285CS..Hα-helixtrans-55.7-24.4178.1-71-95.5000113.9E348 L366 D372 K705 R714E348-Y368 HydrophobicContact CG-CE1 4.23Å; L366-Y368 HydrophobicContact CB-CD2 4.14Å; L366-Y368 HydrophobicContact CB-CE2 3.79Å; L366-Y368 HydrophobicContact CD1-CE2 4.37Å; L366-Y368 PolarHBondContact O-N 3.37Å; Y368-D372 WeakPolarHBondContact O-CB 3.33Å; Y368-D372 VanDerWaalsContact O-CG 3.29Å; Y368-D372 PolarHBondContact O-N 3.05Å; Y368-K705 VanDerWaalsContact CE2-O 3.26Å; Y368-K705 WeakPolarHBondContact CE2-O 2.99Å; Y368-K705 PolarHBondContact OH-O 2.68Å; Y368-R714 PolarHBondContact OH-NH2 2.86Å; Y368-R714 VanDerWaalsContact OH-NH2 3.15Å
369G90.4Very high91.7Very high43 Ų4351.9 Ų51.944%0.44327%0.265SS..Hα-helixtrans-69.6-31.5177.200000113.8N367 R373N367-G369 PolarHBondContact O-N 3.11Å; N367-G369 PolarHBondContact OD1-N 2.69Å; G369-R373 PolarHBondContact O-N 3.29Å
370E92.7Very high91.6Very high50 Ų5056.6 Ų56.623%0.23428%0.28CS..Hα-helixtrans-85.3-36.3173.9-62.1-59.8143.300111.2P359 N367 R373 Y374P359-E370 HydrophobicContact CB-CB 4.41Å; P359-E370 HydrophobicContact CB-CG 4.27Å; P359-E370 HydrophobicContact CG-CB 4.46Å; N367-E370 WeakPolarHBondContact ND2-CG 3.33Å; N367-E370 PolarHBondContact O-N 2.91Å; E370-R373 PolarHBondContact O-N 2.96Å; E370-R373 IonicContact OE1-CZ 3.33Å; E370-R373 IonicContact OE1-NH1 2.75Å; E370-R373 PolarHBondContact OE1-NH1 2.93Å; E370-R373 IonicContact OE1-NH2 2.73Å; E370-R373 PolarHBondContact OE1-NH2 2.89Å; E370-R373 IonicContact OE2-CZ 2.88Å; E370-R373 VanDerWaalsContact OE2-CZ 3.31Å; E370-R373 IonicContact OE2-NH1 3.76Å; E370-R373 PolarHBondContact OE2-NH1 3.32Å; E370-R373 IonicContact OE2-NH2 2.79Å; E370-Y374 VanDerWaalsContact O-CB 3.22Å; E370-Y374 WeakPolarHBondContact O-CB 3.26Å; E370-Y374 PolarHBondContact O-N 2.86Å
371I94.5Very high91.4Very high5 Ų559.7 Ų59.73%0.02630%0.295CS..Hα-helixtrans-59.1-48.2172.8-67.3168.1000111.1S347 A351 F360 L366 N367 R373 Y374 A375S347-I371 WeakPolarHBondContact O-CG2 3.37Å; A351-I371 HydrophobicContact CB-CG1 4.15Å; A351-I371 HydrophobicContact CB-CG2 3.85Å; F360-I371 HydrophobicContact CB-CD1 4.33Å; F360-I371 HydrophobicContact CB-CG1 3.95Å; F360-I371 HydrophobicContact CD1-CG1 3.8Å; F360-I371 HydrophobicContact CG-CG1 4.25Å; L366-I371 HydrophobicContact CD2-CD1 4.13Å; N367-I371 PolarHBondContact O-N 3.4Å; N367-I371 VanDerWaalsContact O-N 3.11Å; I371-R373 VanDerWaalsContact C-N 3.32Å; I371-R373 PolarHBondContact O-N 2.88Å; I371-Y374 PolarHBondContact O-N 2.78Å; I371-A375 VanDerWaalsContact O-CB 3.26Å; I371-A375 WeakPolarHBondContact O-CB 3.34Å; I371-A375 PolarHBondContact O-N 2.8Å
372D94.1Very high91.1Very high23 Ų2359.8 Ų59.812%0.12330%0.295CS..Hα-helixtrans-65.8-32.4177.3-74.6-25.9000112.7S347 Y368 K376 E389 K390S347-D372 WeakPolarHBondContact CB-OD1 3.33Å; S347-D372 PolarHBondContact OG-OD1 3.39Å; Y368-D372 WeakPolarHBondContact O-CB 3.33Å; Y368-D372 VanDerWaalsContact O-CG 3.29Å; Y368-D372 PolarHBondContact O-N 3.05Å; D372-K376 WeakPolarHBondContact O-CG 3.47Å; D372-K376 PolarHBondContact O-N 2.9Å; D372-K376 VanDerWaalsContact O-N 3.1Å; D372-E389 HydrophobicContact CB-CG 4.44Å; D372-K390 IonicContact OD1-NZ 2.72Å; D372-K390 WeakPolarHBondContact OD2-CE 3.24Å; D372-K390 IonicContact OD2-NZ 2.62Å; D372-K390 PolarHBondContact OD2-NZ 2.9Å
373R93.6Very high90.9Very high147 Ų14757.1 Ų57.156%0.55529%0.286SS*.Hα-helixtrans-72.7-44.8177.2-168.1-172.6-55136.320.2111.6G369 E370 I371 K376 R377G369-R373 PolarHBondContact O-N 3.29Å; E370-R373 PolarHBondContact O-N 2.96Å; E370-R373 IonicContact OE1-CZ 3.33Å; E370-R373 IonicContact OE1-NH1 2.75Å; E370-R373 PolarHBondContact OE1-NH1 2.93Å; E370-R373 IonicContact OE1-NH2 2.73Å; E370-R373 PolarHBondContact OE1-NH2 2.89Å; E370-R373 IonicContact OE2-CZ 2.88Å; E370-R373 VanDerWaalsContact OE2-CZ 3.31Å; E370-R373 IonicContact OE2-NH1 3.76Å; E370-R373 PolarHBondContact OE2-NH1 3.32Å; E370-R373 IonicContact OE2-NH2 2.79Å; I371-R373 VanDerWaalsContact C-N 3.32Å; I371-R373 PolarHBondContact O-N 2.88Å; R373-K376 PolarHBondContact O-N 3.07Å; R373-R377 PolarHBondContact O-N 2.97Å
374Y94.9Very high90.9Very high29 Ų2951 Ų5111%0.11425%0.249CC..Hα-helixtrans-60.6-46175.3174.2-100.3000111.4I350 F360 E370 I371 K376 R377 L378 D411I350-Y374 HydrophobicContact CG2-CD1 3.8Å; I350-Y374 HydrophobicContact CG2-CE1 3.6Å; F360-Y374 AromaticContact CE1-CD1 3.92Å; F360-Y374 HydrophobicContact CE1-CD1 3.92Å; F360-Y374 AromaticContact CE1-CD2 3.84Å; F360-Y374 HydrophobicContact CE1-CD2 3.84Å; F360-Y374 HydrophobicContact CE1-CE1 4.49Å; F360-Y374 HydrophobicContact CE1-CE2 4.4Å; F360-Y374 AromaticContact CE1-CG 3.55Å; F360-Y374 HydrophobicContact CE1-CG 3.55Å; F360-Y374 HydrophobicContact CE2-CE2 4.48Å; F360-Y374 AromaticContact CZ-CD1 3.93Å; F360-Y374 HydrophobicContact CZ-CD1 3.93Å; F360-Y374 AromaticContact CZ-CD2 3.48Å; F360-Y374 HydrophobicContact CZ-CD2 3.48Å; F360-Y374 VanDerWaalsContact CZ-CD2 3.48Å; F360-Y374 HydrophobicContact CZ-CE1 4.07Å; F360-Y374 AromaticContact CZ-CE2 3.63Å; F360-Y374 HydrophobicContact CZ-CE2 3.63Å; F360-Y374 AromaticContact CZ-CG 3.63Å; F360-Y374 HydrophobicContact CZ-CG 3.63Å; F360-Y374 AromaticContact CZ-CZ 3.93Å; E370-Y374 VanDerWaalsContact O-CB 3.22Å; E370-Y374 WeakPolarHBondContact O-CB 3.26Å; E370-Y374 PolarHBondContact O-N 2.86Å; I371-Y374 PolarHBondContact O-N 2.78Å; Y374-K376 VanDerWaalsContact C-N 3.35Å; Y374-K376 PolarHBondContact O-N 2.68Å; Y374-R377 PolarHBondContact O-N 3.19Å; Y374-L378 HydrophobicContact CD1-CD1 4.13Å; Y374-L378 HydrophobicContact CE1-CD1 3.61Å; Y374-L378 HydrophobicContact CE2-CD1 4.06Å; Y374-L378 PolarHBondContact O-N 3.13Å; Y374-D411 WeakPolarHBondContact CE2-OD2 3.46Å; Y374-D411 PolarHBondContact OH-OD2 2.82Å
375A94.6Very high90.7Very high0 Ų058 Ų580%027%0.268CS..Hα-helixtrans-58.5-43.9173.600000112.2I350 I371 L378 I379 E389I350-A375 HydrophobicContact CD1-CB 4.23Å; I350-A375 HydrophobicContact CG2-CB 4.45Å; I371-A375 VanDerWaalsContact O-CB 3.26Å; I371-A375 WeakPolarHBondContact O-CB 3.34Å; I371-A375 PolarHBondContact O-N 2.8Å; A375-L378 PolarHBondContact O-N 2.91Å; A375-I379 HydrophobicContact CB-CD1 4.43Å; A375-I379 VanDerWaalsContact O-CB 3.3Å; A375-I379 WeakPolarHBondContact O-CB 3.49Å; A375-I379 VanDerWaalsContact O-CD1 3.29Å; A375-I379 WeakPolarHBondContact O-CD1 3.45Å; A375-I379 WeakPolarHBondContact O-CG1 3.4Å; A375-I379 PolarHBondContact O-N 3.27Å; A375-E389 HydrophobicContact CB-CB 4.32Å
376K93.7Very high90.4Very high100 Ų10056.2 Ų56.244%0.43526%0.261SS..Hα-helixtrans-61.1-46176.7-79.9173.7-173173.80113D372 R373 Y374 L378 I379 E380 E389D372-K376 WeakPolarHBondContact O-CG 3.47Å; D372-K376 PolarHBondContact O-N 2.9Å; D372-K376 VanDerWaalsContact O-N 3.1Å; R373-K376 PolarHBondContact O-N 3.07Å; Y374-K376 VanDerWaalsContact C-N 3.35Å; Y374-K376 PolarHBondContact O-N 2.68Å; K376-L378 VanDerWaalsContact C-N 3.34Å; K376-L378 PolarHBondContact O-N 2.75Å; K376-I379 PolarHBondContact O-N 3.35Å; K376-E380 WeakPolarHBondContact O-CB 3.05Å; K376-E380 PolarHBondContact O-N 3.19Å; K376-E389 WeakPolarHBondContact CE-OE1 3.23Å; K376-E389 WeakPolarHBondContact CE-OE2 3.43Å; K376-E389 HydrophobicContact CG-CB 4.34Å; K376-E389 HydrophobicContact CG-CG 4.42Å; K376-E389 VanDerWaalsContact NZ-CD 3.31Å; K376-E389 IonicContact NZ-OE1 2.79Å; K376-E389 PolarHBondContact NZ-OE1 2.86Å; K376-E389 IonicContact NZ-OE2 3.28Å
377R94.8Very high89.8Confident97 Ų9762.4 Ų62.437%0.36630%0.3SS..Hα-helixtrans-55.2-51.1174.5179.8-178.460.991.9-5.8110.6R373 Y374 I379 E380 E381 D411R373-R377 PolarHBondContact O-N 2.97Å; Y374-R377 PolarHBondContact O-N 3.19Å; R377-I379 PolarHBondContact O-N 2.77Å; R377-E380 PolarHBondContact O-N 2.81Å; R377-E381 IonicContact CZ-OE2 2.7Å; R377-E381 IonicContact NH1-OE1 3.66Å; R377-E381 IonicContact NH1-OE2 3.75Å; R377-E381 PolarHBondContact NH1-OE2 3Å; R377-E381 WeakPolarHBondContact O-CB 3.26Å; R377-E381 PolarHBondContact O-N 3.15Å; R377-D411 IonicContact CZ-OD1 3.6Å; R377-D411 VanDerWaalsContact CZ-OD1 3.28Å; R377-D411 IonicContact CZ-OD2 3.93Å; R377-D411 IonicContact NH1-OD1 2.91Å; R377-D411 PolarHBondContact NH1-OD1 2.68Å; R377-D411 IonicContact NH1-OD2 3.7Å; R377-D411 IonicContact NH2-OD1 3.87Å; R377-D411 PolarHBondContact NH2-OD1 2.75Å; R377-D411 IonicContact NH2-OD2 2.72Å; R377-D411 PolarHBondContact NH2-OD2 3.45Å
378L92.5Very high89.4Confident0 Ų061 Ų610%030%0.295CS..Hα-helixtrans-69.1-32.1-177.3-68.5179.9000113.7I350 Y374 A375 K376 Y382 A407 D411I350-L378 HydrophobicContact CG2-CB 4.49Å; I350-L378 HydrophobicContact CG2-CD1 3.69Å; Y374-L378 HydrophobicContact CD1-CD1 4.13Å; Y374-L378 HydrophobicContact CE1-CD1 3.61Å; Y374-L378 HydrophobicContact CE2-CD1 4.06Å; Y374-L378 PolarHBondContact O-N 3.13Å; A375-L378 PolarHBondContact O-N 2.91Å; K376-L378 VanDerWaalsContact C-N 3.34Å; K376-L378 PolarHBondContact O-N 2.75Å; L378-Y382 HydrophobicContact CD2-CD2 4.01Å; L378-Y382 HydrophobicContact CD2-CE2 3.63Å; L378-Y382 WeakPolarHBondContact O-CB 3.4Å; L378-Y382 WeakPolarHBondContact O-CD2 3.44Å; L378-Y382 PolarHBondContact O-N 2.83Å; L378-A407 HydrophobicContact CB-CB 4.25Å; L378-D411 HydrophobicContact CD1-CB 4.07Å; L378-D411 HydrophobicContact CD2-CB 3.73Å
379I90.4Very high89.3Confident27 Ų2760 Ų6014%0.13829%0.292CS..Hα-helixtrans-62.9-43173.1-75.8160.9000111.1L346 I350 A375 K376 R377 D383 V384 T386 E389L346-I379 HydrophobicContact CD2-CD1 3.74Å; L346-I379 HydrophobicContact CD2-CG1 3.96Å; L346-I379 HydrophobicContact CG-CD1 4.36Å; I350-I379 HydrophobicContact CD1-CD1 4.32Å; I350-I379 HydrophobicContact CD1-CG1 4.02Å; A375-I379 HydrophobicContact CB-CD1 4.43Å; A375-I379 VanDerWaalsContact O-CB 3.3Å; A375-I379 WeakPolarHBondContact O-CB 3.49Å; A375-I379 VanDerWaalsContact O-CD1 3.29Å; A375-I379 WeakPolarHBondContact O-CD1 3.45Å; A375-I379 WeakPolarHBondContact O-CG1 3.4Å; A375-I379 PolarHBondContact O-N 3.27Å; K376-I379 PolarHBondContact O-N 3.35Å; R377-I379 PolarHBondContact O-N 2.77Å; I379-D383 PolarHBondContact O-N 2.81Å; I379-V384 HydrophobicContact CB-CB 4.42Å; I379-V384 HydrophobicContact CG1-CB 4.24Å; I379-V384 HydrophobicContact CG2-CB 4.44Å; I379-V384 PolarHBondContact O-N 2.92Å; I379-T386 HydrophobicContact CD1-CG2 4.21Å; I379-T386 HydrophobicContact CG2-CG2 4.03Å; I379-E389 HydrophobicContact CD1-CB 3.71Å
380E88Confident89.3Confident168 Ų16863.3 Ų63.379%0.78529%0.294SS*.Hα-helixtrans-73.8-49.6178.3-174.6169.7-161.400111.9K376 R377 Y382 D383K376-E380 WeakPolarHBondContact O-CB 3.05Å; K376-E380 PolarHBondContact O-N 3.19Å; R377-E380 PolarHBondContact O-N 2.81Å; E380-Y382 PolarHBondContact O-N 2.82Å; E380-D383 PolarHBondContact O-N 3.25Å
381E87.5Confident89Confident84 Ų8461.3 Ų61.339%0.39329%0.286SS..Hα-helixtrans-63.9-25.4-177.9-172.6-18015800113.2R377 R437R377-E381 IonicContact CZ-OE2 2.7Å; R377-E381 IonicContact NH1-OE1 3.66Å; R377-E381 IonicContact NH1-OE2 3.75Å; R377-E381 PolarHBondContact NH1-OE2 3Å; R377-E381 WeakPolarHBondContact O-CB 3.26Å; R377-E381 PolarHBondContact O-N 3.15Å; E381-R437 PolarHBondContact O-NH2 2.8Å
382Y87.3Confident88.6Confident8 Ų864 Ų643%0.03130%0.304CS..THydrogen-bonded Turntrans-112.15.8179.9-66.9-111.2000115.4L378 E380 V384 K403 A407 V410 Y433L378-Y382 HydrophobicContact CD2-CD2 4.01Å; L378-Y382 HydrophobicContact CD2-CE2 3.63Å; L378-Y382 WeakPolarHBondContact O-CB 3.4Å; L378-Y382 WeakPolarHBondContact O-CD2 3.44Å; L378-Y382 PolarHBondContact O-N 2.83Å; E380-Y382 PolarHBondContact O-N 2.82Å; Y382-V384 PolarHBondContact O-N 2.87Å; Y382-K403 PolarHBondContact O-NZ 3.02Å; Y382-A407 HydrophobicContact CD1-CB 3.7Å; Y382-A407 HydrophobicContact CD2-CB 3.66Å; Y382-A407 HydrophobicContact CE1-CB 4.1Å; Y382-A407 HydrophobicContact CE2-CB 4.07Å; Y382-A407 HydrophobicContact CG-CB 3.5Å; Y382-A407 VanDerWaalsContact CG-CB 3.5Å; Y382-V410 WeakPolarHBondContact OH-CG1 2.93Å; Y382-Y433 WeakPolarHBondContact CA-OH 3.39Å; Y382-Y433 WeakPolarHBondContact CB-OH 3.28Å; Y382-Y433 HydrophobicContact CD1-CE1 4.47Å; Y382-Y433 VanDerWaalsContact CD1-OH 3.26Å; Y382-Y433 WeakPolarHBondContact CD1-OH 3.31Å; Y382-Y433 PolarHBondContact O-OH 2.89Å
383D82.7Confident88.3Confident67 Ų6763 Ų6336%0.35830%0.299SS..THydrogen-bonded Turntrans48.453.6-173.717248000111.8I379 E380 R385 K403I379-D383 PolarHBondContact O-N 2.81Å; E380-D383 PolarHBondContact O-N 3.25Å; D383-R385 PolarHBondContact O-N 3.08Å; D383-R385 WeakPolarHBondContact OD1-CG 3.44Å; D383-R385 IonicContact OD1-CZ 2.82Å; D383-R385 IonicContact OD1-NE 2.94Å; D383-R385 PolarHBondContact OD1-NE 2.66Å; D383-R385 IonicContact OD1-NH2 3.3Å; D383-R385 IonicContact OD2-CZ 2.63Å; D383-R385 IonicContact OD2-NE 3.97Å; D383-R385 PolarHBondContact OD2-NE 2.9Å; D383-R385 IonicContact OD2-NH2 2.77Å; D383-R385 PolarHBondContact OD2-NH2 2.93Å; D383-K403 VanDerWaalsContact O-CD 3.32Å; D383-K403 WeakPolarHBondContact O-CD 3.47Å; D383-K403 PolarHBondContact O-NZ 3.23Å; D383-K403 IonicContact OD2-NZ 3.63Å; D383-K403 PolarHBondContact OD2-NZ 3.12Å
384V85.4Confident87.8Confident4 Ų458.9 Ų58.92%0.02430%0.296CS..  trans-83.1101.4175.2-176.80000108.6L346 I379 Y382 T386 L396 N400 K403 A404L346-V384 HydrophobicContact CD2-CG1 4.08Å; I379-V384 HydrophobicContact CB-CB 4.42Å; I379-V384 HydrophobicContact CG1-CB 4.24Å; I379-V384 HydrophobicContact CG2-CB 4.44Å; I379-V384 PolarHBondContact O-N 2.92Å; Y382-V384 PolarHBondContact O-N 2.87Å; V384-T386 PolarHBondContact O-N 3.45Å; V384-T386 VanDerWaalsContact O-N 3.07Å; V384-L396 HydrophobicContact CG1-CD2 3.84Å; V384-N400 HydrophobicContact CG1-CB 4.47Å; V384-K403 HydrophobicContact CG2-CB 4.05Å; V384-A404 HydrophobicContact CG1-CB 4.05Å; V384-A404 HydrophobicContact CG2-CB 4.45Å
385R80Confident87.1Confident169 Ų16961.1 Ų61.164%0.63832%0.316SS*.  trans-76.4105.4-174-57.3-176.1-174.11637.4110.6D383 N400D383-R385 PolarHBondContact O-N 3.08Å; D383-R385 WeakPolarHBondContact OD1-CG 3.44Å; D383-R385 IonicContact OD1-CZ 2.82Å; D383-R385 IonicContact OD1-NE 2.94Å; D383-R385 PolarHBondContact OD1-NE 2.66Å; D383-R385 IonicContact OD1-NH2 3.3Å; D383-R385 IonicContact OD2-CZ 2.63Å; D383-R385 IonicContact OD2-NE 3.97Å; D383-R385 PolarHBondContact OD2-NE 2.9Å; D383-R385 IonicContact OD2-NH2 2.77Å; D383-R385 PolarHBondContact OD2-NH2 2.93Å; R385-N400 WeakPolarHBondContact CB-OD1 3.43Å; R385-N400 PolarHBondContact N-OD1 2.81Å
386T84.1Confident86.4Confident40 Ų4061.8 Ų61.825%0.24532%0.32CS..  trans-136.2161.8177.4-1770000109.9L346 I379 V384 S388L346-T386 HydrophobicContact CD2-CG2 3.8Å; I379-T386 HydrophobicContact CD1-CG2 4.21Å; I379-T386 HydrophobicContact CG2-CG2 4.03Å; V384-T386 PolarHBondContact O-N 3.45Å; V384-T386 VanDerWaalsContact O-N 3.07Å; T386-S388 WeakPolarHBondContact CG2-O 3.14Å; T386-S388 PolarHBondContact OG1-N 3.43Å; T386-S388 PolarHBondContact OG1-O 3.39Å
387T79.5Confident85.6Confident137 Ų13760.3 Ų60.384%0.8432%0.322SS*.SBendtrans-77-25.2169.353.30000112.7
388S86Confident84.7Confident40 Ų4056.7 Ų56.728%0.2832%0.315SS..  trans-168.6158.7175.8166.40000110.4T386 K390 A391T386-S388 WeakPolarHBondContact CG2-O 3.14Å; T386-S388 PolarHBondContact OG1-N 3.43Å; T386-S388 PolarHBondContact OG1-O 3.39Å; S388-K390 PolarHBondContact O-N 3.11Å; S388-K390 VanDerWaalsContact O-N 3.13Å; S388-K390 PolarHBondContact OG-N 2.64Å; S388-A391 WeakPolarHBondContact O-CB 3.15Å; S388-A391 PolarHBondContact O-N 3.31Å; S388-A391 VanDerWaalsContact O-N 3.15Å
389E89.6Confident84.1Confident21 Ų2157 Ų5710%0.09832%0.318CS..THydrogen-bonded Turntrans-55-20.4163.480.4-71.8-167.500113.5L346 S347 D372 A375 K376 I379L346-E389 CarbonylContact C-O 3.55Å; L346-E389 WeakPolarHBondContact CB-O 3.17Å; L346-E389 PolarHBondContact N-O 3.48Å; S347-E389 PolarHBondContact N-O 3.22Å; D372-E389 HydrophobicContact CB-CG 4.44Å; A375-E389 HydrophobicContact CB-CB 4.32Å; K376-E389 WeakPolarHBondContact CE-OE1 3.23Å; K376-E389 WeakPolarHBondContact CE-OE2 3.43Å; K376-E389 HydrophobicContact CG-CB 4.34Å; K376-E389 HydrophobicContact CG-CG 4.42Å; K376-E389 VanDerWaalsContact NZ-CD 3.31Å; K376-E389 IonicContact NZ-OE1 2.79Å; K376-E389 PolarHBondContact NZ-OE1 2.86Å; K376-E389 IonicContact NZ-OE2 3.28Å; I379-E389 HydrophobicContact CD1-CB 3.71Å
390K89.1Confident83.8Confident113 Ų11356.6 Ų56.649%0.49132%0.316SS..THydrogen-bonded Turntrans-98-1.6-178.8-47.6-162.3-175.6-138.80113.8D372 S388D372-K390 IonicContact OD1-NZ 2.72Å; D372-K390 WeakPolarHBondContact OD2-CE 3.24Å; D372-K390 IonicContact OD2-NZ 2.62Å; D372-K390 PolarHBondContact OD2-NZ 2.9Å; S388-K390 PolarHBondContact O-N 3.11Å; S388-K390 VanDerWaalsContact O-N 3.13Å; S388-K390 PolarHBondContact OG-N 2.64Å
391A86.5Confident83.9Confident9 Ų949 Ų497%0.07428%0.281CS..SBendtrans-65140.5171.400000109.8L346 S388L346-A391 PolarHBondContact N-O 3.3Å; S388-A391 WeakPolarHBondContact O-CB 3.15Å; S388-A391 PolarHBondContact O-N 3.31Å; S388-A391 VanDerWaalsContact O-N 3.15Å
392P86.7Confident83.9Confident61 Ų6145.1 Ų45.140%0.39626%0.263SS..BIsolated β-bridgetrans-61.9140.8173.3-21.533.2000110.8L344 A394 S395L344-P392 WeakPolarHBondContact O-CA 3.28Å; P392-A394 PolarHBondContact O-N 3.38Å; P392-A394 VanDerWaalsContact O-N 3.07Å; P392-S395 WeakPolarHBondContact O-CB 3.17Å; P392-S395 PolarHBondContact O-N 3.39Å; P392-S395 PolarHBondContact O-OG 3.17Å
393A87.8Confident84Confident1 Ų145.3 Ų45.31%0.00826%0.264CS..G310 helixtrans-58.2-25.8-179.900000113.3L340 L342 L344 S395 L396 Q401L340-A393 HydrophobicContact CD1-CB 4.44Å; L340-A393 HydrophobicContact CD2-CB 4.46Å; L342-A393 PolarHBondContact O-N 3.04Å; L344-A393 PolarHBondContact O-N 3.18Å; L344-A393 VanDerWaalsContact O-N 3.09Å; A393-S395 PolarHBondContact O-N 3.31Å; A393-S395 VanDerWaalsContact O-N 3.16Å; A393-L396 PolarHBondContact O-N 2.86Å; A393-Q401 PolarHBondContact O-NE2 3.18Å
394A82Confident84.4Confident61 Ų6142.2 Ų42.250%0.50425%0.247SC..G310 helixtrans-56.7-20.5169.800000115.4L342 P392L342-A394 HydrophobicContact CB-CB 4.09Å; L342-A394 WeakPolarHBondContact O-CB 3.4Å; L342-A394 PolarHBondContact O-N 3.12Å; P392-A394 PolarHBondContact O-N 3.38Å; P392-A394 VanDerWaalsContact O-N 3.07Å
395S80.4Confident84.8Confident77 Ų7742 Ų4254%0.53825%0.246SC..G310 helixtrans-91.6-6.1-176.465.70000114.5P392 A393P392-S395 WeakPolarHBondContact O-CB 3.17Å; P392-S395 PolarHBondContact O-N 3.39Å; P392-S395 PolarHBondContact O-OG 3.17Å; A393-S395 PolarHBondContact O-N 3.31Å; A393-S395 VanDerWaalsContact O-N 3.16Å
396L79.6Confident85.3Confident14 Ų1434 Ų347%0.07322%0.216CC..SBendtrans-88.7148.2175.6-79.465.7000110.2L346 V384 A393 N400 Q401L346-L396 HydrophobicContact CD1-CD2 3.87Å; L346-L396 HydrophobicContact CD2-CD1 4.47Å; L346-L396 HydrophobicContact CD2-CD2 3.87Å; V384-L396 HydrophobicContact CG1-CD2 3.84Å; A393-L396 PolarHBondContact O-N 2.86Å; L396-N400 HydrophobicContact CB-CB 4.17Å; L396-N400 HydrophobicContact CD2-CB 4.07Å; L396-N400 HydrophobicContact CG-CB 4.3Å; L396-Q401 HydrophobicContact CB-CG 3.77Å; L396-Q401 PolarHBondContact O-NE2 3.46Å
397S77.4Confident85.7Confident68 Ų6832.1 Ų32.148%0.47620%0.204SC..  trans-68.4157.5167.866.80000111.4G399 N400 Q401S397-G399 PolarHBondContact O-N 2.77Å; S397-G399 VanDerWaalsContact O-N 3.12Å; S397-N400 PolarHBondContact O-N 2.73Å; S397-N400 PolarHBondContact OG-ND2 2.76Å; S397-Q401 PolarHBondContact O-N 2.64Å
398G76.9Confident86.4Confident22 Ų2225.6 Ų25.623%0.22716%0.164CC..Hα-helixtrans-50.4-39.6-177.600000114.4N400 Q401 Q402 L426G398-N400 PolarHBondContact O-N 3.41Å; G398-Q401 WeakPolarHBondContact O-CB 3.24Å; G398-Q401 PolarHBondContact O-N 2.91Å; G398-Q402 PolarHBondContact O-N 2.95Å; G398-L426 VanDerWaalsContact C-CD2 3.43Å
399G78.5Confident86.7Confident5 Ų523.7 Ų23.75%0.05215%0.151CC..Hα-helixtrans-65.6-38.3177.100000113.4S397 Q402 K403S397-G399 PolarHBondContact O-N 2.77Å; S397-G399 VanDerWaalsContact O-N 3.12Å; G399-Q402 PolarHBondContact O-N 3.38Å; G399-K403 WeakPolarHBondContact O-CG 3.19Å; G399-K403 PolarHBondContact O-N 2.65Å
400N84.5Confident86.8Confident20 Ų2022.9 Ų22.911%0.10715%0.147CC..Hα-helixtrans-77-32177.1-67.2-71.7000112V384 R385 L396 S397 G398 A404V384-N400 HydrophobicContact CG1-CB 4.47Å; R385-N400 WeakPolarHBondContact CB-OD1 3.43Å; R385-N400 PolarHBondContact N-OD1 2.81Å; L396-N400 HydrophobicContact CB-CB 4.17Å; L396-N400 HydrophobicContact CD2-CB 4.07Å; L396-N400 HydrophobicContact CG-CB 4.3Å; S397-N400 PolarHBondContact O-N 2.73Å; S397-N400 PolarHBondContact OG-ND2 2.76Å; G398-N400 PolarHBondContact O-N 3.41Å; N400-A404 WeakPolarHBondContact O-CB 3.28Å; N400-A404 PolarHBondContact O-N 3.03Å
401Q89.6Confident86.9Confident9 Ų919.5 Ų19.54%0.04213%0.134CC..Hα-helixtrans-59.8-47.1167.7-71.3174.4-17.900111H336 L340 A393 L396 S397 G398 A404 I405H336-Q401 PolarHBondContact NE2-OE1 2.86Å; L340-Q401 HydrophobicContact CD1-CB 3.64Å; L340-Q401 HydrophobicContact CD1-CG 3.89Å; A393-Q401 PolarHBondContact O-NE2 3.18Å; L396-Q401 HydrophobicContact CB-CG 3.77Å; L396-Q401 PolarHBondContact O-NE2 3.46Å; S397-Q401 PolarHBondContact O-N 2.64Å; G398-Q401 WeakPolarHBondContact O-CB 3.24Å; G398-Q401 PolarHBondContact O-N 2.91Å; Q401-A404 PolarHBondContact O-N 3.3Å; Q401-I405 WeakPolarHBondContact O-CG1 3.29Å; Q401-I405 PolarHBondContact O-N 3.42Å; Q401-I405 VanDerWaalsContact O-N 3.11Å
402Q87.5Confident87.1Confident2 Ų221.8 Ų21.81%0.00914%0.141CC..Hα-helixtrans-65.9-44.5178.2-156.477.86.800112.4G398 G399 A404 I405 I406 P422 L426 I434G398-Q402 PolarHBondContact O-N 2.95Å; G399-Q402 PolarHBondContact O-N 3.38Å; Q402-A404 PolarHBondContact O-N 3.37Å; Q402-I405 PolarHBondContact O-N 3.38Å; Q402-I405 VanDerWaalsContact O-N 3.16Å; Q402-I406 HydrophobicContact CG-CD1 3.94Å; Q402-I406 WeakPolarHBondContact O-CG1 3.27Å; Q402-I406 PolarHBondContact O-N 2.99Å; Q402-P422 WeakPolarHBondContact CG-O 3.4Å; Q402-L426 HydrophobicContact CB-CD1 3.79Å; Q402-L426 HydrophobicContact CG-CD1 4.01Å; Q402-I434 HydrophobicContact CB-CD1 4.27Å; Q402-I434 HydrophobicContact CG-CD1 3.97Å
403K89.5Confident87.3Confident12 Ų1223.1 Ų23.15%0.05215%0.145CC..Hα-helixtrans-54.4-41.1173.1-77.8-178.8166.5-147.60112.1Y382 D383 V384 G399 I406 A407 Y433Y382-K403 PolarHBondContact O-NZ 3.02Å; D383-K403 VanDerWaalsContact O-CD 3.32Å; D383-K403 WeakPolarHBondContact O-CD 3.47Å; D383-K403 PolarHBondContact O-NZ 3.23Å; D383-K403 IonicContact OD2-NZ 3.63Å; D383-K403 PolarHBondContact OD2-NZ 3.12Å; V384-K403 HydrophobicContact CG2-CB 4.05Å; G399-K403 WeakPolarHBondContact O-CG 3.19Å; G399-K403 PolarHBondContact O-N 2.65Å; K403-I406 PolarHBondContact O-N 3.38Å; K403-A407 VanDerWaalsContact O-CB 3.29Å; K403-A407 WeakPolarHBondContact O-CB 3.48Å; K403-A407 PolarHBondContact O-N 2.91Å; K403-Y433 HydrophobicContact CD-CD1 4.23Å; K403-Y433 HydrophobicContact CD-CE1 4.29Å; K403-Y433 HydrophobicContact CG-CD1 3.94Å; K403-Y433 HydrophobicContact CG-CE1 3.99Å
404A91.8Very high87.5Confident1 Ų123.3 Ų23.31%0.00815%0.146CC..Hα-helixtrans-68-38.2178.500000113.1L346 V384 N400 Q401 Q402 R408L346-A404 HydrophobicContact CD1-CB 3.81Å; V384-A404 HydrophobicContact CG1-CB 4.05Å; V384-A404 HydrophobicContact CG2-CB 4.45Å; N400-A404 WeakPolarHBondContact O-CB 3.28Å; N400-A404 PolarHBondContact O-N 3.03Å; Q401-A404 PolarHBondContact O-N 3.3Å; Q402-A404 PolarHBondContact O-N 3.37Å; A404-R408 PolarHBondContact O-N 3.41Å; A404-R408 VanDerWaalsContact O-N 3.14Å
405I93.4Very high88Confident0 Ų022.2 Ų22.20%013%0.131CC..Hα-helixtrans-62.3-52.6171.5-64.7164000109.4V331 R335 L340 Q401 Q402 A407 R408 E409V331-I405 HydrophobicContact CB-CG2 4.45Å; V331-I405 HydrophobicContact CG1-CG2 4.03Å; V331-I405 HydrophobicContact CG2-CG2 4.34Å; R335-I405 HydrophobicContact CB-CD1 3.53Å; L340-I405 HydrophobicContact CD1-CD1 4.17Å; L340-I405 HydrophobicContact CD1-CG1 4.32Å; L340-I405 HydrophobicContact CD2-CG1 4.05Å; L340-I405 HydrophobicContact CG-CD1 3.99Å; L340-I405 HydrophobicContact CG-CG1 3.92Å; Q401-I405 WeakPolarHBondContact O-CG1 3.29Å; Q401-I405 PolarHBondContact O-N 3.42Å; Q401-I405 VanDerWaalsContact O-N 3.11Å; Q402-I405 PolarHBondContact O-N 3.38Å; Q402-I405 VanDerWaalsContact O-N 3.16Å; I405-A407 VanDerWaalsContact C-N 3.31Å; I405-A407 PolarHBondContact O-N 3.37Å; I405-R408 WeakPolarHBondContact O-CB 3.37Å; I405-R408 PolarHBondContact O-N 3.45Å; I405-E409 HydrophobicContact CG2-CG 4.15Å; I405-E409 WeakPolarHBondContact O-CG 3.28Å; I405-E409 PolarHBondContact O-N 3.34Å
406I91.4Very high88.7Confident1 Ų118.5 Ų18.51%0.00511%0.106CC..Hα-helixtrans-60.5-40.7-178.1-69.5165.9000111.1V331 Q402 K403 R408 E409 V410 I434V331-I406 HydrophobicContact CG1-CG1 4.15Å; V331-I406 HydrophobicContact CG2-CG1 3.94Å; Q402-I406 HydrophobicContact CG-CD1 3.94Å; Q402-I406 WeakPolarHBondContact O-CG1 3.27Å; Q402-I406 PolarHBondContact O-N 2.99Å; K403-I406 PolarHBondContact O-N 3.38Å; I406-R408 VanDerWaalsContact C-N 3.35Å; I406-R408 PolarHBondContact O-N 3.07Å; I406-E409 PolarHBondContact O-N 3.16Å; I406-V410 HydrophobicContact CG2-CG2 3.96Å; I406-V410 VanDerWaalsContact O-CB 3.27Å; I406-V410 WeakPolarHBondContact O-CB 3.44Å; I406-V410 VanDerWaalsContact O-CG2 3.27Å; I406-V410 WeakPolarHBondContact O-CG2 3.17Å; I406-V410 PolarHBondContact O-N 3.04Å; I406-I434 HydrophobicContact CD1-CB 4.29Å; I406-I434 HydrophobicContact CD1-CD1 3.75Å; I406-I434 HydrophobicContact CD1-CG1 3.61Å; I406-I434 HydrophobicContact CD1-CG2 3.83Å
407A91.7Very high89.4Confident0 Ų017.9 Ų17.90%010%0.103CC..Hα-helixtrans-58.8-43.8173.700000112.3L378 Y382 K403 I405 D411L378-A407 HydrophobicContact CB-CB 4.25Å; Y382-A407 HydrophobicContact CD1-CB 3.7Å; Y382-A407 HydrophobicContact CD2-CB 3.66Å; Y382-A407 HydrophobicContact CE1-CB 4.1Å; Y382-A407 HydrophobicContact CE2-CB 4.07Å; Y382-A407 HydrophobicContact CG-CB 3.5Å; Y382-A407 VanDerWaalsContact CG-CB 3.5Å; K403-A407 VanDerWaalsContact O-CB 3.29Å; K403-A407 WeakPolarHBondContact O-CB 3.48Å; K403-A407 PolarHBondContact O-N 2.91Å; I405-A407 VanDerWaalsContact C-N 3.31Å; I405-A407 PolarHBondContact O-N 3.37Å; A407-D411 WeakPolarHBondContact O-CB 3.26Å; A407-D411 PolarHBondContact O-N 3.47Å; A407-D411 VanDerWaalsContact O-N 3.11Å
408R93.6Very high90.3Very high1 Ų114.7 Ų14.70%0.0048%0.08CC..Hα-helixtrans-65-42.2175.1174.5-176.178.4-146.5-2.5112.8G339 N349 I350 A404 I405 I406 R412 Y725G339-R408 PolarHBondContact O-NH1 3.26Å; G339-R408 PolarHBondContact O-NH2 2.87Å; G339-R408 VanDerWaalsContact O-NH2 3.1Å; N349-R408 WeakPolarHBondContact O-CD 3.32Å; N349-R408 PolarHBondContact O-NH1 3.23Å; I350-R408 WeakPolarHBondContact O-CD 3.4Å; I350-R408 WeakPolarHBondContact O-CG 3.42Å; A404-R408 PolarHBondContact O-N 3.41Å; A404-R408 VanDerWaalsContact O-N 3.14Å; I405-R408 WeakPolarHBondContact O-CB 3.37Å; I405-R408 PolarHBondContact O-N 3.45Å; I406-R408 VanDerWaalsContact C-N 3.35Å; I406-R408 PolarHBondContact O-N 3.07Å; R408-R412 WeakPolarHBondContact O-CG 3.12Å; R408-Y725 PolarHBondContact NH2-OH 2.99Å
409E93.2Very high91Very high0 Ų013.6 Ų13.60%07%0.069CC..Hα-helixtrans-75.2-37.2-176.4-61.8-48.9125.800112.3H330 V331 I405 I406 R412 P414 L417 Y725H330-E409 PolarHBondContact N-OE2 2.79Å; H330-E409 WeakPolarHBondContact O-CG 3.39Å; V331-E409 HydrophobicContact CG2-CB 3.99Å; V331-E409 HydrophobicContact CG2-CG 3.83Å; I405-E409 HydrophobicContact CG2-CG 4.15Å; I405-E409 WeakPolarHBondContact O-CG 3.28Å; I405-E409 PolarHBondContact O-N 3.34Å; I406-E409 PolarHBondContact O-N 3.16Å; E409-R412 IonicContact OE2-CZ 3.94Å; E409-R412 IonicContact OE2-NE 2.73Å; E409-R412 IonicContact OE2-NH2 3.47Å; E409-R412 PolarHBondContact OE2-NH2 3.5Å; E409-P414 WeakPolarHBondContact O-CD 3.41Å; E409-P414 WeakPolarHBondContact O-CG 3.48Å; E409-L417 HydrophobicContact CB-CD1 4.13Å; E409-Y725 PolarHBondContact OE1-OH 3.5Å; E409-Y725 VanDerWaalsContact OE1-OH 3.14Å
410V91.4Very high91.6Very high3 Ų313.5 Ų13.52%0.0187%0.067CC..Hα-helixtrans-78.6-38.5-178.1172.60000112.6Y382 I406 R412 D413 L417 Q441Y382-V410 WeakPolarHBondContact OH-CG1 2.93Å; I406-V410 HydrophobicContact CG2-CG2 3.96Å; I406-V410 VanDerWaalsContact O-CB 3.27Å; I406-V410 WeakPolarHBondContact O-CB 3.44Å; I406-V410 VanDerWaalsContact O-CG2 3.27Å; I406-V410 WeakPolarHBondContact O-CG2 3.17Å; I406-V410 PolarHBondContact O-N 3.04Å; V410-R412 PolarHBondContact O-N 3.46Å; V410-D413 PolarHBondContact O-N 3.2Å; V410-L417 HydrophobicContact CG2-CD2 3.95Å; V410-Q441 VanDerWaalsContact CG1-CD 3.4Å; V410-Q441 HydrophobicContact CG1-CG 4.04Å; V410-Q441 HydrophobicContact CG2-CG 4.19Å
411D91.9Very high91.7Very high42 Ų4213 Ų1323%0.2256%0.064CC..Hα-helixtrans-68.6-15.9-177.9-17077.6000113.7Y374 R377 L378 A407 D413Y374-D411 WeakPolarHBondContact CE2-OD2 3.46Å; Y374-D411 PolarHBondContact OH-OD2 2.82Å; R377-D411 IonicContact CZ-OD1 3.6Å; R377-D411 VanDerWaalsContact CZ-OD1 3.28Å; R377-D411 IonicContact CZ-OD2 3.93Å; R377-D411 IonicContact NH1-OD1 2.91Å; R377-D411 PolarHBondContact NH1-OD1 2.68Å; R377-D411 IonicContact NH1-OD2 3.7Å; R377-D411 IonicContact NH2-OD1 3.87Å; R377-D411 PolarHBondContact NH2-OD1 2.75Å; R377-D411 IonicContact NH2-OD2 2.72Å; R377-D411 PolarHBondContact NH2-OD2 3.45Å; L378-D411 HydrophobicContact CD1-CB 4.07Å; L378-D411 HydrophobicContact CD2-CB 3.73Å; A407-D411 WeakPolarHBondContact O-CB 3.26Å; A407-D411 PolarHBondContact O-N 3.47Å; A407-D411 VanDerWaalsContact O-N 3.11Å; D411-D413 PolarHBondContact O-N 2.71Å
412R91.1Very high91.5Very high58 Ų5812.5 Ų12.522%0.2196%0.062CC..THydrogen-bonded Turntrans-72.43.6168.8-63.5-171.9-57.6104.7-13.7113.6T324 V328 R408 E409 V410 P414T324-R412 VanDerWaalsContact CG2-NH1 3.34Å; V328-R412 PolarHBondContact O-NH1 2.88Å; V328-R412 PolarHBondContact O-NH2 2.97Å; R408-R412 WeakPolarHBondContact O-CG 3.12Å; E409-R412 IonicContact OE2-CZ 3.94Å; E409-R412 IonicContact OE2-NE 2.73Å; E409-R412 IonicContact OE2-NH2 3.47Å; E409-R412 PolarHBondContact OE2-NH2 3.5Å; V410-R412 PolarHBondContact O-N 3.46Å; R412-P414 VanDerWaalsContact C-CD 3.49Å
413D90.3Very high91.3Very high89 Ų8912.5 Ų12.548%0.4766%0.062SC..  trans43.748.2-177.2-164.852000114.6V410 D411 K446V410-D413 PolarHBondContact O-N 3.2Å; D411-D413 PolarHBondContact O-N 2.71Å; D413-K446 PolarHBondContact O-NZ 2.93Å; D413-K446 WeakPolarHBondContact OD1-CE 3.34Å; D413-K446 IonicContact OD1-NZ 3.86Å; D413-K446 PolarHBondContact OD1-NZ 3.18Å; D413-K446 WeakPolarHBondContact OD2-CE 3.23Å; D413-K446 IonicContact OD2-NZ 2.66Å; D413-K446 PolarHBondContact OD2-NZ 3.39Å
414P92.4Very high90.5Very high4 Ų416 Ų163%0.0268%0.075CC..  trans-62.6146.2-173.529.8-37.3000112.2G327 E409 R412 L417 K446G327-P414 CarbonylContact O-C 3.48Å; G327-P414 WeakPolarHBondContact O-CA 2.94Å; G327-P414 WeakPolarHBondContact O-CB 3.44Å; E409-P414 WeakPolarHBondContact O-CD 3.41Å; E409-P414 WeakPolarHBondContact O-CG 3.48Å; R412-P414 VanDerWaalsContact C-CD 3.49Å; P414-L417 HydrophobicContact CG-CB 4.33Å; P414-L417 HydrophobicContact CG-CD1 4.21Å; P414-K446 WeakPolarHBondContact O-CD 3.35Å; P414-K446 WeakPolarHBondContact O-CE 3.4Å; P414-K446 WeakPolarHBondContact O-CG 3.48Å; P414-K446 PolarHBondContact O-NZ 3.3Å
415D92.1Very high89.3Confident38 Ų3817.9 Ų17.920%0.2039%0.094CC..SBendtrans-72.2-36.1172.7-95.5-13.3000111.9V250 R276 S311 G327 K446 G447V250-D415 HydrophobicContact CG2-CB 3.94Å; R276-D415 IonicContact CZ-OD1 2.66Å; R276-D415 IonicContact CZ-OD2 3.83Å; R276-D415 IonicContact NH1-OD1 3.16Å; R276-D415 PolarHBondContact NH1-OD1 2.77Å; R276-D415 IonicContact NH1-OD2 2.69Å; R276-D415 IonicContact NH2-OD1 3.22Å; R276-D415 PolarHBondContact NH2-OD1 3.07Å; R276-D415 IonicContact NH2-OD2 3.69Å; R276-D415 PolarHBondContact NH2-OD2 2.82Å; S311-D415 PolarHBondContact OG-OD2 2.9Å; G327-D415 PolarHBondContact O-N 3.27Å; D415-K446 IonicContact OD1-NZ 2.72Å; D415-G447 PolarHBondContact O-N 3.08Å
416L95.1Very high88.3Confident0 Ų018 Ų180%010%0.095CC..EExtended strand (participates in β ladder)trans-122.1119.6174.1175.573.1000109.1V250 L251 I310 G327 V328 G329 I418 G447V250-L416 HydrophobicContact CG1-CD1 4.23Å; L251-L416 HydrophobicContact CB-CD1 4Å; L251-L416 HydrophobicContact CB-CD2 4.01Å; L251-L416 HydrophobicContact CD1-CD2 4.23Å; L251-L416 HydrophobicContact CD2-CD1 4.28Å; L251-L416 HydrophobicContact CD2-CD2 4.07Å; L251-L416 HydrophobicContact CG-CD2 4.33Å; I310-L416 HydrophobicContact CD1-CD2 3.88Å; I310-L416 HydrophobicContact CG1-CD2 4.35Å; G327-L416 PolarHBondContact O-N 2.99Å; V328-L416 WeakPolarHBondContact CA-O 3.35Å; V328-L416 HydrophobicContact CG1-CD2 4.48Å; V328-L416 HydrophobicContact CG2-CD2 4.4Å; G329-L416 PolarHBondContact N-O 2.72Å; L416-I418 HydrophobicContact CD2-CD1 3.98Å; L416-I418 HydrophobicContact CD2-CG1 3.93Å; L416-I418 HydrophobicContact CG-CG1 4.01Å; L416-G447 WeakPolarHBondContact CA-O 3.41Å
417L95.2Very high87.1Confident1 Ų120.4 Ų20.41%0.00511%0.108CC..EExtended strand (participates in β ladder)trans-105.7106.5172.8-177.263.6000109.8E409 V410 P414 V419 L438 Q441 G447 V448 L449E409-L417 HydrophobicContact CB-CD1 4.13Å; V410-L417 HydrophobicContact CG2-CD2 3.95Å; P414-L417 HydrophobicContact CG-CB 4.33Å; P414-L417 HydrophobicContact CG-CD1 4.21Å; L417-V419 HydrophobicContact CD1-CG2 4.37Å; L417-V419 HydrophobicContact CD2-CG2 4.12Å; L417-V419 HydrophobicContact CG-CG2 3.71Å; L417-L438 HydrophobicContact CD2-CD2 3.99Å; L417-Q441 HydrophobicContact CD2-CB 4.44Å; L417-Q441 HydrophobicContact CD2-CG 3.93Å; L417-G447 PolarHBondContact N-O 2.83Å; L417-V448 WeakPolarHBondContact O-CA 3.27Å; L417-L449 PolarHBondContact O-N 2.92Å
418I94.6Very high86Confident0 Ų022.6 Ų22.60%012%0.121CC..EExtended strand (participates in β ladder)trans-86.8133.1172.9-56.9-179.2000108.5I294 L297 T298 V328 G329 H330 V331 L416 L449I294-I418 HydrophobicContact CD1-CG2 3.36Å; I294-I418 HydrophobicContact CG2-CG2 4.15Å; L297-I418 HydrophobicContact CB-CD1 4.12Å; T298-I418 HydrophobicContact CG2-CD1 3.99Å; V328-I418 HydrophobicContact CG1-CD1 4.11Å; V328-I418 HydrophobicContact CG1-CG1 4.34Å; G329-I418 PolarHBondContact O-N 2.92Å; H330-I418 CarbonylContact C-O 3.45Å; H330-I418 VanDerWaalsContact CA-O 3.28Å; H330-I418 WeakPolarHBondContact CA-O 3.43Å; V331-I418 PolarHBondContact N-O 3.08Å; L416-I418 HydrophobicContact CD2-CD1 3.98Å; L416-I418 HydrophobicContact CD2-CG1 3.93Å; L416-I418 HydrophobicContact CG-CG1 4.01Å; I418-L449 HydrophobicContact CG1-CB 4.49Å
419V93Very high84.8Confident0 Ų023.7 Ų23.70%013%0.133CC..EExtended strand (participates in β ladder)trans-141119.7-173.1-174.10000109.9V331 L417 P422 L438 V448 L449 L450 V451V331-V419 HydrophobicContact CB-CB 4.47Å; V331-V419 HydrophobicContact CB-CG1 4.1Å; V331-V419 HydrophobicContact CB-CG2 4.47Å; V331-V419 HydrophobicContact CG1-CG1 4.38Å; V331-V419 HydrophobicContact CG2-CG2 4.42Å; L417-V419 HydrophobicContact CD1-CG2 4.37Å; L417-V419 HydrophobicContact CD2-CG2 4.12Å; L417-V419 HydrophobicContact CG-CG2 3.71Å; V419-P422 HydrophobicContact CG1-CB 3.55Å; V419-P422 HydrophobicContact CG1-CG 3.56Å; V419-L438 HydrophobicContact CG1-CD1 4.25Å; V419-L438 HydrophobicContact CG1-CD2 4.37Å; V419-L438 HydrophobicContact CG2-CD2 3.84Å; V419-V448 HydrophobicContact CG2-CG1 4.34Å; V419-L449 PolarHBondContact N-O 3.41Å; V419-L450 HydrophobicContact CB-CD1 4.15Å; V419-L450 HydrophobicContact CG1-CD1 3.96Å; V419-L450 CarbonylContact O-C 3.54Å; V419-L450 WeakPolarHBondContact O-CA 3.24Å; V419-V451 PolarHBondContact O-N 3.28Å
420S90.4Very high84Confident2 Ų223.9 Ų23.91%0.01413%0.134CC..EExtended strand (participates in β ladder)trans-116.8125.3178.3-64.20000111.7V331 P332 E333 V451V331-S420 PolarHBondContact O-N 2.6Å; P332-S420 CarbonylContact C-O 3.5Å; E333-S420 WeakPolarHBondContact CA-O 2.92Å; S420-V451 CarbonylContact C-O 3.54Å; S420-V451 WeakPolarHBondContact CA-O 3.42Å
421Q86.4Confident83.4Confident9 Ų925 Ų254%0.04214%0.14CC..SBendtrans44.850.6175.5-61.118055.800114.4T423 R424 V451 F453Q421-T423 PolarHBondContact O-N 3.47Å; Q421-R424 HydrophobicContact CB-CB 4.22Å; Q421-R424 PolarHBondContact O-N 2.9Å; Q421-V451 PolarHBondContact N-O 2.93Å; Q421-F453 HydrophobicContact CG-CD1 4.14Å; Q421-F453 HydrophobicContact CG-CD2 4.42Å; Q421-F453 HydrophobicContact CG-CE1 4.39Å; Q421-F453 HydrophobicContact CG-CG 4.16Å; Q421-F453 VanDerWaalsContact OE1-CD2 3.3Å
422P85.9Confident82.8Confident0 Ų026 Ų260%014%0.143CC..THydrogen-bonded Turntrans-71.6-17.5-167.634.9-39.6000113.5Q402 V419 L426 I434 L438 L450 E457Q402-P422 WeakPolarHBondContact CG-O 3.4Å; V419-P422 HydrophobicContact CG1-CB 3.55Å; V419-P422 HydrophobicContact CG1-CG 3.56Å; P422-L426 VanDerWaalsContact O-CD1 3.24Å; P422-L426 WeakPolarHBondContact O-CD1 3.49Å; P422-I434 HydrophobicContact CB-CG2 4Å; P422-I434 HydrophobicContact CG-CG2 4.33Å; P422-L438 HydrophobicContact CG-CD1 4.45Å; P422-L450 HydrophobicContact CG-CD1 3.88Å; P422-E457 WeakPolarHBondContact CD-OE2 3.41Å; P422-E457 WeakPolarHBondContact CG-OE1 3.45Å
423T83.1Confident82.4Confident1 Ų125.3 Ų25.31%0.00614%0.141CC..THydrogen-bonded Turntrans-93.1-9.9178.553.90000114.4Q421 G425 L426 I431 E454 E457Q421-T423 PolarHBondContact O-N 3.47Å; T423-G425 PolarHBondContact O-N 2.97Å; T423-L426 VanDerWaalsContact O-CB 3.23Å; T423-L426 WeakPolarHBondContact O-CB 3.29Å; T423-L426 VanDerWaalsContact O-CG 3.26Å; T423-L426 WeakPolarHBondContact O-CG 3.4Å; T423-L426 PolarHBondContact O-N 3.44Å; T423-I431 HydrophobicContact CG2-CB 4.28Å; T423-I431 HydrophobicContact CG2-CD1 4.49Å; T423-I431 HydrophobicContact CG2-CG1 3.88Å; T423-I431 HydrophobicContact CG2-CG2 3.85Å; T423-E454 VanDerWaalsContact CB-OE2 3.22Å; T423-E454 WeakPolarHBondContact CB-OE2 3.43Å; T423-E454 VanDerWaalsContact OG1-CD 3.22Å; T423-E454 PolarHBondContact OG1-OE2 3.01Å; T423-E457 WeakPolarHBondContact CG2-OE1 3.46Å; T423-E457 PolarHBondContact OG1-OE2 2.85Å
424R73Confident82.3Confident87 Ų8721.1 Ų21.133%0.32812%0.118SC..THydrogen-bonded Turntrans-55.8113.1-166.4-172.4-175.1-178.4151.1-12.1113.2R335 Q421 L426R335-R424 PolarHBondContact NH1-O 2.87Å; R335-R424 PolarHBondContact NH2-O 3.41Å; Q421-R424 HydrophobicContact CB-CB 4.22Å; Q421-R424 PolarHBondContact O-N 2.9Å; R424-L426 VanDerWaalsContact C-N 3.32Å
425G66.7Low82.2Confident39 Ų3921.9 Ų21.940%0.40212%0.121SC..THydrogen-bonded Turntrans68.227.7179.100000114T423T423-G425 PolarHBondContact O-N 2.97Å
426L72.3Confident82Confident4 Ų425.9 Ų25.92%0.02114%0.137CC..  trans-99.3161.7176.7-55.5-165.6000111.8G398 Q402 P422 T423 R424 A430 I431 I434G398-L426 VanDerWaalsContact C-CD2 3.43Å; Q402-L426 HydrophobicContact CB-CD1 3.79Å; Q402-L426 HydrophobicContact CG-CD1 4.01Å; P422-L426 VanDerWaalsContact O-CD1 3.24Å; P422-L426 WeakPolarHBondContact O-CD1 3.49Å; T423-L426 VanDerWaalsContact O-CB 3.23Å; T423-L426 WeakPolarHBondContact O-CB 3.29Å; T423-L426 VanDerWaalsContact O-CG 3.26Å; T423-L426 WeakPolarHBondContact O-CG 3.4Å; T423-L426 PolarHBondContact O-N 3.44Å; R424-L426 VanDerWaalsContact C-N 3.32Å; L426-A430 HydrophobicContact CB-CB 4.15Å; L426-A430 HydrophobicContact CD1-CB 4.34Å; L426-I431 HydrophobicContact CB-CG1 4.23Å; L426-I434 HydrophobicContact CD1-CD1 3.48Å; L426-I434 VanDerWaalsContact CD1-CD1 3.48Å
427D66Low81.7Confident51 Ų5128 Ų2827%0.27315%0.145SC..  trans-78.9155172.663.889.6000111.8G429 A430 I431D427-G429 PolarHBondContact O-N 2.96Å; D427-G429 VanDerWaalsContact O-N 3.08Å; D427-G429 WeakPolarHBondContact OD1-CA 3.31Å; D427-G429 PolarHBondContact OD1-N 3.5Å; D427-G429 VanDerWaalsContact OD1-N 3.15Å; D427-A430 WeakPolarHBondContact O-CA 3.32Å; D427-A430 WeakPolarHBondContact O-CB 3.34Å; D427-A430 PolarHBondContact O-N 3.11Å; D427-A430 PolarHBondContact OD1-N 3.04Å; D427-I431 WeakPolarHBondContact O-CG1 3.39Å; D427-I431 PolarHBondContact O-N 3.42Å
428V68.8Low81.5Confident46 Ų4628 Ų2828%0.27915%0.145SC..Hα-helixtrans-57-29-176.5-170.10000113V235 I431 E432V235-V428 HydrophobicContact CG1-CG1 3.77Å; V428-I431 PolarHBondContact O-N 3.22Å; V428-E432 WeakPolarHBondContact O-CB 3.21Å; V428-E432 PolarHBondContact O-N 3.27Å
429G68.1Low81.3Confident24 Ų2428.4 Ų28.425%0.24715%0.147CC..Hα-helixtrans-74.1-34175.800000113.5D427 Y433D427-G429 PolarHBondContact O-N 2.96Å; D427-G429 VanDerWaalsContact O-N 3.08Å; D427-G429 WeakPolarHBondContact OD1-CA 3.31Å; D427-G429 PolarHBondContact OD1-N 3.5Å; D427-G429 VanDerWaalsContact OD1-N 3.15Å; G429-Y433 WeakPolarHBondContact O-CB 3.22Å; G429-Y433 PolarHBondContact O-N 3.46Å
430A75.8Confident81.3Confident4 Ų430.9 Ų30.93%0.03316%0.159CC..Hα-helixtrans-69.4-38.5168.500000111.7L426 D427 Y433 I434L426-A430 HydrophobicContact CB-CB 4.15Å; L426-A430 HydrophobicContact CD1-CB 4.34Å; D427-A430 WeakPolarHBondContact O-CA 3.32Å; D427-A430 WeakPolarHBondContact O-CB 3.34Å; D427-A430 PolarHBondContact O-N 3.11Å; D427-A430 PolarHBondContact OD1-N 3.04Å; A430-Y433 PolarHBondContact O-N 2.87Å; A430-I434 WeakPolarHBondContact O-CB 3.17Å; A430-I434 WeakPolarHBondContact O-CG1 3.3Å; A430-I434 PolarHBondContact O-N 2.9Å
431I80.3Confident81.4Confident27 Ų2731 Ų3114%0.13816%0.159CC..Hα-helixtrans-62-53.7176.1-65.1174.7000111.1T423 L426 D427 V428 Y433 I434 H435T423-I431 HydrophobicContact CG2-CB 4.28Å; T423-I431 HydrophobicContact CG2-CD1 4.49Å; T423-I431 HydrophobicContact CG2-CG1 3.88Å; T423-I431 HydrophobicContact CG2-CG2 3.85Å; L426-I431 HydrophobicContact CB-CG1 4.23Å; D427-I431 WeakPolarHBondContact O-CG1 3.39Å; D427-I431 PolarHBondContact O-N 3.42Å; V428-I431 PolarHBondContact O-N 3.22Å; I431-Y433 PolarHBondContact O-N 2.94Å; I431-I434 PolarHBondContact O-N 2.87Å; I431-I434 VanDerWaalsContact O-N 3.08Å; I431-H435 VanDerWaalsContact CG2-NE2 3.34Å; I431-H435 WeakPolarHBondContact CG2-NE2 3.41Å; I431-H435 PolarHBondContact O-N 3.4Å
432E79.5Confident81.7Confident63 Ų6330.6 Ų30.629%0.29416%0.157SC..Hα-helixtrans-50.4-45.6175179.1-169-154.900111.5R233 V428 K436R233-E432 IonicContact CZ-OE2 2.67Å; R233-E432 VanDerWaalsContact CZ-OE2 3.29Å; R233-E432 IonicContact NH1-OE1 2.7Å; R233-E432 PolarHBondContact NH1-OE1 3.1Å; R233-E432 VanDerWaalsContact NH1-OE1 3.12Å; R233-E432 IonicContact NH1-OE2 2.59Å; R233-E432 PolarHBondContact NH1-OE2 3.26Å; R233-E432 IonicContact NH2-OE2 2.73Å; R233-E432 PolarHBondContact NH2-OE2 3.07Å; V428-E432 WeakPolarHBondContact O-CB 3.21Å; V428-E432 PolarHBondContact O-N 3.27Å; E432-K436 WeakPolarHBondContact O-CB 3.28Å; E432-K436 PolarHBondContact O-N 3.44Å
433Y81.4Confident81.9Confident43 Ų4334.4 Ų34.417%0.16918%0.178CC..Hα-helixtrans-65.4-43.4178.8179.9-93.6000112.8Y382 K403 G429 A430 I431 R437Y382-Y433 WeakPolarHBondContact CA-OH 3.39Å; Y382-Y433 WeakPolarHBondContact CB-OH 3.28Å; Y382-Y433 HydrophobicContact CD1-CE1 4.47Å; Y382-Y433 VanDerWaalsContact CD1-OH 3.26Å; Y382-Y433 WeakPolarHBondContact CD1-OH 3.31Å; Y382-Y433 PolarHBondContact O-OH 2.89Å; K403-Y433 HydrophobicContact CD-CD1 4.23Å; K403-Y433 HydrophobicContact CD-CE1 4.29Å; K403-Y433 HydrophobicContact CG-CD1 3.94Å; K403-Y433 HydrophobicContact CG-CE1 3.99Å; G429-Y433 WeakPolarHBondContact O-CB 3.22Å; G429-Y433 PolarHBondContact O-N 3.46Å; A430-Y433 PolarHBondContact O-N 2.87Å; I431-Y433 PolarHBondContact O-N 2.94Å; Y433-R437 HydrophobicContact CD1-CG 4.48Å; Y433-R437 HydrophobicContact CE1-CG 3.9Å; Y433-R437 HydrophobicContact CE2-CG 4.41Å; Y433-R437 WeakPolarHBondContact O-CG 3.18Å; Y433-R437 PolarHBondContact O-N 2.94Å; Y433-R437 PolarHBondContact OH-NE 2.67Å; Y433-R437 PolarHBondContact OH-NH2 3.45Å
434I87.8Confident82.2Confident0 Ų039.9 Ų39.90%020%0.201CC..Hα-helixtrans-68.7-50.9-177.5-74.5171.7000111Q402 I406 P422 L426 A430 I431 K436 R437 L438Q402-I434 HydrophobicContact CB-CD1 4.27Å; Q402-I434 HydrophobicContact CG-CD1 3.97Å; I406-I434 HydrophobicContact CD1-CB 4.29Å; I406-I434 HydrophobicContact CD1-CD1 3.75Å; I406-I434 HydrophobicContact CD1-CG1 3.61Å; I406-I434 HydrophobicContact CD1-CG2 3.83Å; P422-I434 HydrophobicContact CB-CG2 4Å; P422-I434 HydrophobicContact CG-CG2 4.33Å; L426-I434 HydrophobicContact CD1-CD1 3.48Å; L426-I434 VanDerWaalsContact CD1-CD1 3.48Å; A430-I434 WeakPolarHBondContact O-CB 3.17Å; A430-I434 WeakPolarHBondContact O-CG1 3.3Å; A430-I434 PolarHBondContact O-N 2.9Å; I431-I434 PolarHBondContact O-N 2.87Å; I431-I434 VanDerWaalsContact O-N 3.08Å; I434-K436 PolarHBondContact O-N 2.82Å; I434-R437 PolarHBondContact O-N 3.31Å; I434-L438 HydrophobicContact CG2-CD1 4.44Å; I434-L438 PolarHBondContact O-N 3.17Å; I434-L438 VanDerWaalsContact O-N 3.07Å
435H91.3Very high83.1Confident20 Ų2038.9 Ų38.99%0.09320%0.201CC..Hα-helixtrans-53.1-43.5177.5-68.3176.5000111.4T239 I431 R437 L438 V439 E457 N460 V461T239-H435 HydrophobicContact CG2-CB 4.09Å; T239-H435 WeakPolarHBondContact OG1-CB 3.36Å; T239-H435 PolarHBondContact OG1-CE1 3.32Å; I431-H435 VanDerWaalsContact CG2-NE2 3.34Å; I431-H435 WeakPolarHBondContact CG2-NE2 3.41Å; I431-H435 PolarHBondContact O-N 3.4Å; H435-R437 PolarHBondContact O-N 3.3Å; H435-L438 PolarHBondContact O-N 2.87Å; H435-V439 PolarHBondContact O-N 3.49Å; H435-E457 IonicContact CD2-OE1 3.42Å; H435-E457 PolarHBondContact CD2-OE1 2.73Å; H435-N460 PolarHBondContact CE1-ND2 3.16Å; H435-N460 PolarHBondContact ND1-ND2 3.44Å; H435-N460 VanDerWaalsContact ND1-ND2 3.19Å; H435-V461 HydrophobicContact CB-CG2 3.86Å; H435-V461 VanDerWaalsContact CG-CG2 3.49Å
436K88.4Confident84.4Confident122 Ų12237.9 Ų37.953%0.5319%0.185SC..Hα-helixtrans-60.5-44.1176.2-178.6173.4177.1174.30112.6E432 I434 L438 V439 E440E432-K436 WeakPolarHBondContact O-CB 3.28Å; E432-K436 PolarHBondContact O-N 3.44Å; I434-K436 PolarHBondContact O-N 2.82Å; K436-L438 VanDerWaalsContact C-N 3.32Å; K436-L438 PolarHBondContact O-N 2.92Å; K436-V439 PolarHBondContact O-N 3.27Å; K436-E440 WeakPolarHBondContact CE-OE1 3.21Å; K436-E440 WeakPolarHBondContact O-CB 3.21Å; K436-E440 WeakPolarHBondContact O-CG 3.42Å; K436-E440 PolarHBondContact O-N 2.9Å
437R87.7Confident85.4Confident46 Ų4637.7 Ų37.717%0.17418%0.184CC..Hα-helixtrans-68.2-28.6178.9-68-51.4-160.8163.712.1113.5E381 Y433 I434 H435 E440 Q441E381-R437 PolarHBondContact O-NH2 2.8Å; Y433-R437 HydrophobicContact CD1-CG 4.48Å; Y433-R437 HydrophobicContact CE1-CG 3.9Å; Y433-R437 HydrophobicContact CE2-CG 4.41Å; Y433-R437 WeakPolarHBondContact O-CG 3.18Å; Y433-R437 PolarHBondContact O-N 2.94Å; Y433-R437 PolarHBondContact OH-NE 2.67Å; Y433-R437 PolarHBondContact OH-NH2 3.45Å; I434-R437 PolarHBondContact O-N 3.31Å; H435-R437 PolarHBondContact O-N 3.3Å; R437-E440 WeakPolarHBondContact CD-OE2 3.47Å; R437-E440 IonicContact CZ-OE2 3.64Å; R437-E440 IonicContact NE-OE2 3.63Å; R437-E440 IonicContact NH1-OE1 3.06Å; R437-E440 IonicContact NH1-OE2 3.63Å; R437-E440 PolarHBondContact NH1-OE2 2.98Å; R437-Q441 PolarHBondContact O-N 2.81Å; R437-Q441 PolarHBondContact O-NE2 2.99Å
438L91.8Very high86.8Confident1 Ų135.3 Ų35.31%0.00517%0.171CC..Hα-helixtrans-70.5-47.2172.3-61-176.4000111.4L417 V419 P422 I434 H435 K436 E440 Q441 R442 L450 V461L417-L438 HydrophobicContact CD2-CD2 3.99Å; V419-L438 HydrophobicContact CG1-CD1 4.25Å; V419-L438 HydrophobicContact CG1-CD2 4.37Å; V419-L438 HydrophobicContact CG2-CD2 3.84Å; P422-L438 HydrophobicContact CG-CD1 4.45Å; I434-L438 HydrophobicContact CG2-CD1 4.44Å; I434-L438 PolarHBondContact O-N 3.17Å; I434-L438 VanDerWaalsContact O-N 3.07Å; H435-L438 PolarHBondContact O-N 2.87Å; K436-L438 VanDerWaalsContact C-N 3.32Å; K436-L438 PolarHBondContact O-N 2.92Å; L438-E440 VanDerWaalsContact C-N 3.3Å; L438-E440 PolarHBondContact O-N 3.29Å; L438-Q441 PolarHBondContact O-N 3.46Å; L438-R442 PolarHBondContact O-N 2.8Å; L438-L450 HydrophobicContact CD1-CD1 4.28Å; L438-V461 HydrophobicContact CB-CG1 4.31Å; L438-V461 HydrophobicContact CD1-CG1 4.47Å
439V90.7Very high88.1Confident7 Ų733.1 Ų33.14%0.04216%0.158CC..Hα-helixtrans-54.4-44.9171.5154.50000111.4T239 K241 H435 K436 Q441 R442 D443T239-V439 HydrophobicContact CG2-CG2 3.96Å; K241-V439 HydrophobicContact CB-CG1 4.42Å; K241-V439 HydrophobicContact CB-CG2 4.19Å; H435-V439 PolarHBondContact O-N 3.49Å; K436-V439 PolarHBondContact O-N 3.27Å; V439-Q441 PolarHBondContact O-N 3.5Å; V439-R442 PolarHBondContact O-N 2.9Å; V439-D443 VanDerWaalsContact O-CG 3.24Å; V439-D443 PolarHBondContact O-N 3.18Å
440E91Very high89.4Confident52 Ų5232 Ų3224%0.24315%0.146CC..Hα-helixtrans-61.4-23.8175.7-76.2173.3-166.700114.1K436 R437 L438 K444K436-E440 WeakPolarHBondContact CE-OE1 3.21Å; K436-E440 WeakPolarHBondContact O-CB 3.21Å; K436-E440 WeakPolarHBondContact O-CG 3.42Å; K436-E440 PolarHBondContact O-N 2.9Å; R437-E440 WeakPolarHBondContact CD-OE2 3.47Å; R437-E440 IonicContact CZ-OE2 3.64Å; R437-E440 IonicContact NE-OE2 3.63Å; R437-E440 IonicContact NH1-OE1 3.06Å; R437-E440 IonicContact NH1-OE2 3.63Å; R437-E440 PolarHBondContact NH1-OE2 2.98Å; L438-E440 VanDerWaalsContact C-N 3.3Å; L438-E440 PolarHBondContact O-N 3.29Å; E440-K444 WeakPolarHBondContact O-CD 3.49Å; E440-K444 VanDerWaalsContact O-CG 3.24Å; E440-K444 WeakPolarHBondContact O-CG 3.44Å; E440-K444 PolarHBondContact O-N 2.67Å
441Q92.8Very high90.1Very high4 Ų431.9 Ų31.92%0.01915%0.145CC..Hα-helixtrans-82.7-39.1175.3-65.2-16.9-79.100111.9V410 L417 R437 L438 V439 D443 K444 K446 V448V410-Q441 VanDerWaalsContact CG1-CD 3.4Å; V410-Q441 HydrophobicContact CG1-CG 4.04Å; V410-Q441 HydrophobicContact CG2-CG 4.19Å; L417-Q441 HydrophobicContact CD2-CB 4.44Å; L417-Q441 HydrophobicContact CD2-CG 3.93Å; R437-Q441 PolarHBondContact O-N 2.81Å; R437-Q441 PolarHBondContact O-NE2 2.99Å; L438-Q441 PolarHBondContact O-N 3.46Å; V439-Q441 PolarHBondContact O-N 3.5Å; Q441-D443 VanDerWaalsContact C-N 3.3Å; Q441-D443 PolarHBondContact O-N 3.2Å; Q441-K444 WeakPolarHBondContact O-CB 3.22Å; Q441-K444 PolarHBondContact O-N 3.02Å; Q441-K446 HydrophobicContact CB-CB 4.43Å; Q441-K446 WeakPolarHBondContact O-CB 3.29Å; Q441-K446 WeakPolarHBondContact O-CG 3.49Å; Q441-K446 PolarHBondContact O-N 3.21Å; Q441-V448 HydrophobicContact CB-CG2 4.25Å
442R92.7Very high90.4Very high2 Ų230.8 Ų30.81%0.00814%0.14CC..Hα-helixtrans-57.3-47.4170.3-178.1-159.461.1-142.2-14.1110.7G277 V279 L438 V439 K444 Q445 D463G277-R442 VanDerWaalsContact O-CG 3.28Å; G277-R442 WeakPolarHBondContact O-CG 3.47Å; V279-R442 HydrophobicContact CG2-CB 4.02Å; V279-R442 HydrophobicContact CG2-CG 4.37Å; L438-R442 PolarHBondContact O-N 2.8Å; V439-R442 PolarHBondContact O-N 2.9Å; R442-K444 PolarHBondContact O-N 3.13Å; R442-Q445 WeakPolarHBondContact O-CA 3.43Å; R442-Q445 PolarHBondContact O-N 3.3Å; R442-D463 WeakPolarHBondContact CD-OD2 3.35Å; R442-D463 IonicContact CZ-OD1 2.83Å; R442-D463 IonicContact CZ-OD2 3.96Å; R442-D463 IonicContact NE-OD2 3.76Å; R442-D463 IonicContact NH1-OD1 3.04Å; R442-D463 PolarHBondContact NH1-OD1 3.33Å; R442-D463 IonicContact NH1-OD2 3.25Å; R442-D463 PolarHBondContact NH1-OD2 2.72Å; R442-D463 VanDerWaalsContact NH1-OD2 3.16Å
443D90.3Very high90.2Very high80 Ų8028.9 Ų28.943%0.42813%0.131SC..Hα-helixtrans-67.9-18-176.4-64.5-4.1000112.3V439 Q441 Q445V439-D443 VanDerWaalsContact O-CG 3.24Å; V439-D443 PolarHBondContact O-N 3.18Å; Q441-D443 VanDerWaalsContact C-N 3.3Å; Q441-D443 PolarHBondContact O-N 3.2Å; D443-Q445 VanDerWaalsContact C-N 3.31Å
444K90.7Very high90Very high115 Ų11530.4 Ų30.450%0.514%0.139SC..THydrogen-bonded Turntrans-83.710166.7-72.4170.8-177.9-178.70114.6E440 Q441 R442 K446E440-K444 WeakPolarHBondContact O-CD 3.49Å; E440-K444 VanDerWaalsContact O-CG 3.24Å; E440-K444 WeakPolarHBondContact O-CG 3.44Å; E440-K444 PolarHBondContact O-N 2.67Å; Q441-K444 WeakPolarHBondContact O-CB 3.22Å; Q441-K444 PolarHBondContact O-N 3.02Å; R442-K444 PolarHBondContact O-N 3.13Å; K444-K446 VanDerWaalsContact C-N 3.31Å; K444-K446 HydrophobicContact CB-CG 4.38Å; K444-K446 PolarHBondContact O-N 2.85Å
445Q91.5Very high89.4Confident67 Ų6731 Ų3131%0.31314%0.142SC..THydrogen-bonded Turntrans60.535.6-177.1-71.1-74.4-29.200114.1T245 R276 R442 D443T245-Q445 PolarHBondContact O-NE2 3.37Å; T245-Q445 PolarHBondContact OG1-NE2 3.4Å; R276-Q445 WeakPolarHBondContact CB-O 3.31Å; R276-Q445 PolarHBondContact NH1-O 3.25Å; R442-Q445 WeakPolarHBondContact O-CA 3.43Å; R442-Q445 PolarHBondContact O-N 3.3Å; D443-Q445 VanDerWaalsContact C-N 3.31Å
446K93.2Very high88.7Confident18 Ų1835 Ų358%0.07816%0.164CC..  trans-90.6157.7160.2-47.9-54-165.3148.70109.4G277 D413 P414 D415 Q441 K444G277-K446 PolarHBondContact N-O 3.47Å; D413-K446 PolarHBondContact O-NZ 2.93Å; D413-K446 WeakPolarHBondContact OD1-CE 3.34Å; D413-K446 IonicContact OD1-NZ 3.86Å; D413-K446 PolarHBondContact OD1-NZ 3.18Å; D413-K446 WeakPolarHBondContact OD2-CE 3.23Å; D413-K446 IonicContact OD2-NZ 2.66Å; D413-K446 PolarHBondContact OD2-NZ 3.39Å; P414-K446 WeakPolarHBondContact O-CD 3.35Å; P414-K446 WeakPolarHBondContact O-CE 3.4Å; P414-K446 WeakPolarHBondContact O-CG 3.48Å; P414-K446 PolarHBondContact O-NZ 3.3Å; D415-K446 IonicContact OD1-NZ 2.72Å; Q441-K446 HydrophobicContact CB-CB 4.43Å; Q441-K446 WeakPolarHBondContact O-CB 3.29Å; Q441-K446 WeakPolarHBondContact O-CG 3.49Å; Q441-K446 PolarHBondContact O-N 3.21Å; K444-K446 VanDerWaalsContact C-N 3.31Å; K444-K446 HydrophobicContact CB-CG 4.38Å; K444-K446 PolarHBondContact O-N 2.85Å
447G94.3Very high88.6Confident0 Ų029.2 Ų29.20%014%0.139CC..EExtended strand (participates in β ladder)trans-94.2139.4168.700000110.7H275 D415 L416 L417H275-G447 VanDerWaalsContact O-CA 3.26Å; H275-G447 WeakPolarHBondContact O-CA 3.47Å; D415-G447 PolarHBondContact O-N 3.08Å; L416-G447 WeakPolarHBondContact CA-O 3.41Å; L417-G447 PolarHBondContact N-O 2.83Å
448V95.7Very high88.5Confident0 Ų027 Ų270%013%0.131CC..EExtended strand (participates in β ladder)trans-122.3129.4179.3-174.20000109.8E278 V279 V280 L417 V419 Q441E278-V448 PolarHBondContact O-N 2.78Å; E278-V448 VanDerWaalsContact O-N 3.12Å; V279-V448 WeakPolarHBondContact CA-O 3.13Å; V279-V448 HydrophobicContact CB-CB 4.35Å; V279-V448 HydrophobicContact CG1-CB 4.24Å; V279-V448 HydrophobicContact CG1-CG1 4.19Å; V279-V448 HydrophobicContact CG2-CB 3.99Å; V279-V448 HydrophobicContact CG2-CG1 4.44Å; V279-V448 HydrophobicContact CG2-CG2 4.32Å; V280-V448 PolarHBondContact N-O 3.11Å; L417-V448 WeakPolarHBondContact O-CA 3.27Å; V419-V448 HydrophobicContact CG2-CG1 4.34Å; Q441-V448 HydrophobicContact CB-CG2 4.25Å
449L96Very high88.2Confident0 Ų028.3 Ų28.30%014%0.138CC..EExtended strand (participates in β ladder)trans-112.2105.3173.7-176.965.5000108.8L251 L272 V274 V280 I282 I294 L297 L417 I418 V419L251-L449 HydrophobicContact CD2-CD2 4.03Å; L272-L449 HydrophobicContact CD2-CD1 4.37Å; V274-L449 HydrophobicContact CG2-CD1 4.09Å; V280-L449 HydrophobicContact CB-CD1 4.25Å; V280-L449 HydrophobicContact CG1-CD1 4.11Å; V280-L449 WeakPolarHBondContact O-CA 3.48Å; I282-L449 HydrophobicContact CD1-CD1 3.88Å; I282-L449 HydrophobicContact CD1-CG 4.41Å; I282-L449 HydrophobicContact CG1-CD1 4.01Å; I294-L449 HydrophobicContact CD1-CD2 4.35Å; L297-L449 HydrophobicContact CD1-CD2 3.81Å; L417-L449 PolarHBondContact O-N 2.92Å; I418-L449 HydrophobicContact CG1-CB 4.49Å; V419-L449 PolarHBondContact N-O 3.41Å
450L94.3Very high88Confident0 Ų029.2 Ų29.20%014%0.143CC..EExtended strand (participates in β ladder)trans-103.9107-175175.460000110.6V279 V280 G281 I282 V419 P422 L438 E457 V461V279-L450 HydrophobicContact CG1-CB 4.02Å; V279-L450 HydrophobicContact CG1-CD2 4.39Å; V280-L450 PolarHBondContact O-N 2.66Å; G281-L450 CarbonylContact C-O 3.41Å; G281-L450 WeakPolarHBondContact CA-O 3.3Å; I282-L450 PolarHBondContact N-O 2.89Å; V419-L450 HydrophobicContact CB-CD1 4.15Å; V419-L450 HydrophobicContact CG1-CD1 3.96Å; V419-L450 CarbonylContact O-C 3.54Å; V419-L450 WeakPolarHBondContact O-CA 3.24Å; P422-L450 HydrophobicContact CG-CD1 3.88Å; L438-L450 HydrophobicContact CD1-CD1 4.28Å; L450-E457 HydrophobicContact CD2-CG 4.04Å; L450-V461 HydrophobicContact CD2-CB 3.87Å; L450-V461 HydrophobicContact CD2-CG1 3.93Å
451V90.7Very high88Confident3 Ų326.8 Ų26.82%0.01813%0.131CC..EExtended strand (participates in β ladder)trans-89.7127.3164.6-171.70000107.8I282 Q290 I294 V419 S420 Q421I282-V451 HydrophobicContact CB-CG2 4.18Å; I282-V451 HydrophobicContact CD1-CG2 4.35Å; Q290-V451 HydrophobicContact CB-CG1 3.88Å; Q290-V451 HydrophobicContact CG-CG1 3.92Å; I294-V451 HydrophobicContact CD1-CG2 3.47Å; I294-V451 VanDerWaalsContact CD1-CG2 3.47Å; I294-V451 HydrophobicContact CG1-CG2 3.71Å; V419-V451 PolarHBondContact O-N 3.28Å; S420-V451 CarbonylContact C-O 3.54Å; S420-V451 WeakPolarHBondContact CA-O 3.42Å; Q421-V451 PolarHBondContact N-O 2.93Å
452S86.1Confident87.9Confident3 Ų326.6 Ų26.62%0.02113%0.13CC..  trans-145.2162.7169.1-161.60000112.2I282 E454 E457 I458I282-S452 PolarHBondContact O-N 2.96Å; S452-E454 PolarHBondContact OG-N 3.4Å; S452-E457 WeakPolarHBondContact CB-OE2 3.24Å; S452-E457 PolarHBondContact OG-OE2 3.31Å; S452-I458 WeakPolarHBondContact O-CD1 3.42Å
453F75.9Confident87.9Confident24 Ų2427.5 Ų27.511%0.10514%0.135CC..SBendtrans-102.1-12.5172.9-63.5-1.9000111.1D286 Q421 M491D286-F453 HydrophobicContact CB-CE1 4.49Å; D286-F453 HydrophobicContact CB-CE2 3.57Å; D286-F453 HydrophobicContact CB-CZ 3.56Å; D286-F453 VanDerWaalsContact CG-CE2 3.41Å; D286-F453 WeakPolarHBondContact OD1-CZ 3.35Å; D286-F453 WeakPolarHBondContact OD2-CE2 3.37Å; Q421-F453 HydrophobicContact CG-CD1 4.14Å; Q421-F453 HydrophobicContact CG-CD2 4.42Å; Q421-F453 HydrophobicContact CG-CE1 4.39Å; Q421-F453 HydrophobicContact CG-CG 4.16Å; Q421-F453 VanDerWaalsContact OE1-CD2 3.3Å; F453-M491 HydrophobicContact CB-CE 3.56Å; F453-M491 HydrophobicContact CB-SD 4.32Å; F453-M491 HydrophobicContact CD1-CE 3.34Å; F453-M491 HydrophobicContact CD1-SD 4.48Å; F453-M491 HydrophobicContact CD2-CE 4.26Å; F453-M491 HydrophobicContact CE1-CE 4.07Å; F453-M491 HydrophobicContact CG-CE 3.46Å; F453-M491 VanDerWaalsContact CG-CE 3.46Å; F453-M491 WeakPolarHBondContact O-CB 3.17Å
454E77.4Confident88Confident74 Ų7426.9 Ų26.935%0.34613%0.127SC..  trans-91.3115.9174.9-70.7173-168.600109T423 S452 E457 I458T423-E454 VanDerWaalsContact CB-OE2 3.22Å; T423-E454 WeakPolarHBondContact CB-OE2 3.43Å; T423-E454 VanDerWaalsContact OG1-CD 3.22Å; T423-E454 PolarHBondContact OG1-OE2 3.01Å; S452-E454 PolarHBondContact OG-N 3.4Å; E454-E457 HydrophobicContact CB-CB 4.04Å; E454-E457 WeakPolarHBondContact O-CB 3.49Å; E454-E457 PolarHBondContact O-N 3.36Å; E454-I458 PolarHBondContact O-N 2.91Å; E454-I458 VanDerWaalsContact O-N 3.12Å
455L75.2Confident87.9Confident12 Ų1221.4 Ų21.46%0.06310%0.103CC..Hα-helixtrans-83.5-33.3-166.3-59168.4000111.8A283 E457 I458 L459 E484 L487 M491A283-L455 HydrophobicContact CB-CD2 4.46Å; L455-E457 VanDerWaalsContact C-N 3.31Å; L455-I458 PolarHBondContact O-N 3.49Å; L455-L459 WeakPolarHBondContact O-CB 3.41Å; L455-L459 WeakPolarHBondContact O-CG 3.38Å; L455-L459 PolarHBondContact O-N 3.4Å; L455-E484 HydrophobicContact CB-CG 4.14Å; L455-L487 HydrophobicContact CB-CB 4.22Å; L455-L487 HydrophobicContact CD1-CB 3.63Å; L455-L487 VanDerWaalsContact CD1-O 3.28Å; L455-L487 WeakPolarHBondContact CD1-O 2.97Å; L455-L487 HydrophobicContact CD2-CB 3.7Å; L455-L487 HydrophobicContact CD2-CD2 4.31Å; L455-L487 HydrophobicContact CD2-CG 4.47Å; L455-L487 HydrophobicContact CG-CB 4.02Å; L455-M491 HydrophobicContact CD1-CB 4.34Å; L455-M491 HydrophobicContact CD1-CG 4.07Å; L455-M491 HydrophobicContact CD2-CG 3.81Å; L455-M491 HydrophobicContact CD2-SD 3.72Å; L455-M491 HydrophobicContact CG-CG 4.14Å
456D77.2Confident87.9Confident104 Ų10418.2 Ų18.256%0.5569%0.088SC*.Hα-helixtrans-53.6-44.6161.5-94.5-21.5000111.8N460D456-N460 WeakPolarHBondContact O-CB 3.23Å; D456-N460 PolarHBondContact O-N 3.33Å
457E85.1Confident87.3Confident1 Ų118.6 Ų18.61%0.0059%0.092CC..Hα-helixtrans-59.9-49.2174.1165.7171.6-13400110.3P422 T423 H435 L450 S452 E454 L455 L459 N460 V461P422-E457 WeakPolarHBondContact CD-OE2 3.41Å; P422-E457 WeakPolarHBondContact CG-OE1 3.45Å; T423-E457 WeakPolarHBondContact CG2-OE1 3.46Å; T423-E457 PolarHBondContact OG1-OE2 2.85Å; H435-E457 IonicContact CD2-OE1 3.42Å; H435-E457 PolarHBondContact CD2-OE1 2.73Å; L450-E457 HydrophobicContact CD2-CG 4.04Å; S452-E457 WeakPolarHBondContact CB-OE2 3.24Å; S452-E457 PolarHBondContact OG-OE2 3.31Å; E454-E457 HydrophobicContact CB-CB 4.04Å; E454-E457 WeakPolarHBondContact O-CB 3.49Å; E454-E457 PolarHBondContact O-N 3.36Å; L455-E457 VanDerWaalsContact C-N 3.31Å; E457-L459 PolarHBondContact O-N 3.27Å; E457-N460 PolarHBondContact O-N 2.81Å; E457-V461 HydrophobicContact CG-CG2 4.11Å; E457-V461 WeakPolarHBondContact O-CB 3.44Å; E457-V461 WeakPolarHBondContact O-CG2 3.36Å; E457-V461 PolarHBondContact O-N 3.03Å
458I86.6Confident86.8Confident0 Ų018.7 Ų18.70%09%0.092CC..Hα-helixtrans-60.7-46.7-178.5-70-175.1000111.5I282 A283 S452 E454 L455 S462 I465I282-I458 VanDerWaalsContact O-CD1 3.26Å; I282-I458 WeakPolarHBondContact O-CD1 3.48Å; A283-I458 HydrophobicContact CB-CD1 3.67Å; S452-I458 WeakPolarHBondContact O-CD1 3.42Å; E454-I458 PolarHBondContact O-N 2.91Å; E454-I458 VanDerWaalsContact O-N 3.12Å; L455-I458 PolarHBondContact O-N 3.49Å; I458-S462 WeakPolarHBondContact O-CB 3.37Å; I458-S462 PolarHBondContact O-N 3.11Å; I458-S462 PolarHBondContact O-OG 3.39Å; I458-I465 HydrophobicContact CG2-CB 4.3Å; I458-I465 HydrophobicContact CG2-CD1 3.55Å; I458-I465 HydrophobicContact CG2-CG1 3.55Å; I458-I465 HydrophobicContact CG2-CG2 3.78Å
459L84.4Confident85.8Confident29 Ų2923.1 Ų23.115%0.15211%0.113CC..Hα-helixtrans-67.7-42.4178.8-69.7166.1000112.1L455 E457 I465 P479 E484 L487L455-L459 WeakPolarHBondContact O-CB 3.41Å; L455-L459 WeakPolarHBondContact O-CG 3.38Å; L455-L459 PolarHBondContact O-N 3.4Å; E457-L459 PolarHBondContact O-N 3.27Å; L459-I465 HydrophobicContact CD2-CD1 3.78Å; L459-I465 HydrophobicContact CG-CD1 4.47Å; L459-P479 HydrophobicContact CD2-CB 3.99Å; L459-E484 HydrophobicContact CD1-CB 3.96Å; L459-E484 HydrophobicContact CD1-CG 4.36Å; L459-L487 HydrophobicContact CD1-CD1 4.09Å; L459-L487 HydrophobicContact CD2-CD1 4.01Å; L459-L487 HydrophobicContact CG-CD1 4.05Å
460N87.5Confident84.7Confident26 Ų2625.5 Ų25.514%0.13913%0.132CC..Hα-helixtrans-71.2-40.2-178.5175.459.1000112.5T239 K241 H435 D456 E457T239-N460 WeakPolarHBondContact CB-ND2 2.96Å; T239-N460 PolarHBondContact N-OD1 3.46Å; T239-N460 PolarHBondContact OG1-ND2 2.85Å; K241-N460 VanDerWaalsContact CE-O 3.28Å; K241-N460 WeakPolarHBondContact CE-O 3.2Å; K241-N460 PolarHBondContact NZ-O 3.13Å; H435-N460 PolarHBondContact CE1-ND2 3.16Å; H435-N460 PolarHBondContact ND1-ND2 3.44Å; H435-N460 VanDerWaalsContact ND1-ND2 3.19Å; D456-N460 WeakPolarHBondContact O-CB 3.23Å; D456-N460 PolarHBondContact O-N 3.33Å; E457-N460 PolarHBondContact O-N 2.81Å
461V90.2Very high84.1Confident0 Ų025.5 Ų25.50%013%0.132CC..Hα-helixtrans-91.7-47.1-174.9-173.30000112.2K241 V279 H435 L438 L450 E457K241-V461 VanDerWaalsContact NZ-C 3.34Å; K241-V461 PolarHBondContact NZ-O 3.46Å; V279-V461 HydrophobicContact CG1-CG1 4.31Å; H435-V461 HydrophobicContact CB-CG2 3.86Å; H435-V461 VanDerWaalsContact CG-CG2 3.49Å; L438-V461 HydrophobicContact CB-CG1 4.31Å; L438-V461 HydrophobicContact CD1-CG1 4.47Å; L450-V461 HydrophobicContact CD2-CB 3.87Å; L450-V461 HydrophobicContact CD2-CG1 3.93Å; E457-V461 HydrophobicContact CG-CG2 4.11Å; E457-V461 WeakPolarHBondContact O-CB 3.44Å; E457-V461 WeakPolarHBondContact O-CG2 3.36Å; E457-V461 PolarHBondContact O-N 3.03Å
462S92.1Very high83.6Confident0 Ų030 Ų300%015%0.154CC..  trans-67.1158.2-170.4-43.30000113.9K241 G281 I458 P479K241-S462 PolarHBondContact NZ-O 2.7Å; G281-S462 WeakPolarHBondContact CA-OG 3.48Å; I458-S462 WeakPolarHBondContact O-CB 3.37Å; I458-S462 PolarHBondContact O-N 3.11Å; I458-S462 PolarHBondContact O-OG 3.39Å; S462-P479 VanDerWaalsContact O-CG 3.3Å; S462-P479 WeakPolarHBondContact O-CG 3.23Å
463D92.6Very high83.5Confident22 Ų2231.9 Ų31.912%0.11816%0.163CC..SBendtrans-107.9-24.3172-53.8-63.2000112.1A244 V279 R442 P479A244-D463 HydrophobicContact CB-CB 3.93Å; V279-D463 PolarHBondContact N-OD2 3.46Å; V279-D463 PolarHBondContact O-N 2.92Å; R442-D463 WeakPolarHBondContact CD-OD2 3.35Å; R442-D463 IonicContact CZ-OD1 2.83Å; R442-D463 IonicContact CZ-OD2 3.96Å; R442-D463 IonicContact NE-OD2 3.76Å; R442-D463 IonicContact NH1-OD1 3.04Å; R442-D463 PolarHBondContact NH1-OD1 3.33Å; R442-D463 IonicContact NH1-OD2 3.25Å; R442-D463 PolarHBondContact NH1-OD2 2.72Å; R442-D463 VanDerWaalsContact NH1-OD2 3.16Å; D463-P479 WeakPolarHBondContact O-CD 3.28Å
464R91.7Very high83.4Confident66 Ų6635.1 Ų35.125%0.24918%0.184CC..EExtended strand (participates in β ladder)trans-139.3147.3168-77.716456.2-137.2-4.8108.6E278 V279 V280 G281E278-R464 IonicContact OE1-NH1 2.7Å; E278-R464 PolarHBondContact OE1-NH1 2.84Å; E278-R464 WeakPolarHBondContact OE2-CD 3.21Å; E278-R464 IonicContact OE2-CZ 3.74Å; E278-R464 IonicContact OE2-NE 2.4Å; E278-R464 IonicContact OE2-NH1 2.62Å; E278-R464 PolarHBondContact OE2-NH1 3.4Å; V279-R464 PolarHBondContact O-N 2.84Å; V280-R464 WeakPolarHBondContact CA-O 3.4Å; G281-R464 PolarHBondContact N-O 3.26Å
465I88.9Confident83.2Confident0 Ų033 Ų330%018%0.182CC..EExtended strand (participates in β ladder)trans-121.4127.3176.3-54.2165.6000109.1G281 A283 I458 L459 V467 I476 V477 P479G281-I465 CarbonylContact O-C 2.97Å; G281-I465 WeakPolarHBondContact O-CA 3.36Å; A283-I465 HydrophobicContact CB-CG2 4Å; I458-I465 HydrophobicContact CG2-CB 4.3Å; I458-I465 HydrophobicContact CG2-CD1 3.55Å; I458-I465 HydrophobicContact CG2-CG1 3.55Å; I458-I465 HydrophobicContact CG2-CG2 3.78Å; L459-I465 HydrophobicContact CD2-CD1 3.78Å; L459-I465 HydrophobicContact CG-CD1 4.47Å; I465-V467 HydrophobicContact CG2-CG2 4.46Å; I465-I476 CarbonylContact O-C 3.3Å; I465-I476 VanDerWaalsContact O-CA 3.22Å; I465-I476 WeakPolarHBondContact O-CA 3.21Å; I465-V477 HydrophobicContact CB-CG2 3.87Å; I465-V477 HydrophobicContact CD1-CG2 4.43Å; I465-V477 HydrophobicContact CG2-CG2 4.46Å; I465-V477 PolarHBondContact N-O 3.05Å; I465-V477 PolarHBondContact O-N 3.19Å; I465-P479 HydrophobicContact CD1-CB 3.83Å; I465-P479 HydrophobicContact CD1-CG 4.48Å; I465-P479 HydrophobicContact CG1-CB 4.35Å; I465-P479 HydrophobicContact CG1-CG 4.49Å
466A90.3Very high83.6Confident0 Ų036.5 Ų36.50%020%0.2CC..EExtended strand (participates in β ladder)trans-99.4121.7167.600000109.5L272 G281 I282 A283 I473 G475 I476L272-A466 HydrophobicContact CD1-CB 4.04Å; L272-A466 HydrophobicContact CD2-CB 4.31Å; G281-A466 PolarHBondContact O-N 3.18Å; I282-A466 VanDerWaalsContact CA-O 3.3Å; I282-A466 WeakPolarHBondContact CA-O 3.34Å; A283-A466 PolarHBondContact N-O 3.21Å; A283-A466 VanDerWaalsContact N-O 3.14Å; A466-I473 HydrophobicContact CB-CD1 4.04Å; A466-I473 HydrophobicContact CB-CG2 4.13Å; A466-G475 WeakPolarHBondContact CA-O 3.3Å; A466-I476 HydrophobicContact CB-CG1 4.09Å
467V81.9Confident83.7Confident27 Ų2734 Ų3416%0.16419%0.188CC..EExtended strand (participates in β ladder)trans-91.1123.1179.6-175.90000108.9A283 I465 I473 V474 G475 L487A283-V467 CarbonylContact O-C 3.6Å; A283-V467 WeakPolarHBondContact O-CA 3.31Å; I465-V467 HydrophobicContact CG2-CG2 4.46Å; V467-I473 CarbonylContact O-C 3.17Å; V467-I473 WeakPolarHBondContact O-CA 3.07Å; V467-V474 HydrophobicContact CB-CG2 4.04Å; V467-V474 HydrophobicContact CG1-CG2 3.8Å; V467-V474 WeakPolarHBondContact O-CG2 3.22Å; V467-V474 PolarHBondContact O-N 3.14Å; V467-G475 PolarHBondContact N-O 3.47Å; V467-L487 HydrophobicContact CG2-CD2 4.44Å
468I82.8Confident83.3Confident1 Ų136.3 Ų36.31%0.00520%0.201CC..EExtended strand (participates in β ladder)trans-104.2131.5178.4-167174.4000111L270 I282 A283 N288 Q290 L293 E472 I473L270-I468 HydrophobicContact CD1-CD1 3.83Å; L270-I468 HydrophobicContact CD1-CG1 4.46Å; I282-I468 HydrophobicContact CG2-CB 4.15Å; I282-I468 HydrophobicContact CG2-CG2 3.58Å; A283-I468 PolarHBondContact O-N 2.87Å; N288-I468 HydrophobicContact CB-CG2 4.42Å; N288-I468 WeakPolarHBondContact O-CD1 3.2Å; Q290-I468 HydrophobicContact CG-CG2 3.83Å; L293-I468 HydrophobicContact CD2-CD1 4.47Å; I468-E472 WeakPolarHBondContact CA-O 3.27Å; I468-I473 HydrophobicContact CB-CD1 3.87Å; I468-I473 HydrophobicContact CG1-CD1 4.2Å
469H75.2Confident83Confident94 Ų9437.2 Ų37.244%0.43521%0.207SC..EExtended strand (participates in β ladder)trans-145.9137.2174.8-176.560.7000110.6N288 G471 E472 V474N288-H469 WeakPolarHBondContact OD1-CA 3.32Å; N288-H469 PolarHBondContact OD1-ND1 3.09Å; H469-G471 PolarHBondContact O-N 3.07Å; H469-E472 PolarHBondContact N-O 2.83Å; H469-E472 PolarHBondContact O-N 2.84Å; H469-V474 HydrophobicContact CB-CG1 3.89Å; H469-V474 HydrophobicContact CB-CG2 4.04Å
470A72.8Confident82.5Confident49 Ų4943.6 Ų43.641%0.40523%0.233SC..THydrogen-bonded Turntrans50.624.1-177.700000115.2K268 N288K268-A470 WeakPolarHBondContact CE-O 3.38Å; K268-A470 PolarHBondContact NZ-O 3.16Å; N288-A470 PolarHBondContact OD1-N 3.33Å
471G81.7Confident81.6Confident0 Ų050.5 Ų50.50%027%0.265CS..THydrogen-bonded Turntrans92.81.7-177.400000116.5A266 V267 K268 N288 H469A266-G471 WeakPolarHBondContact O-CA 3.41Å; V267-G471 WeakPolarHBondContact CA-O 3.48Å; K268-G471 PolarHBondContact N-O 3.2Å; N288-G471 WeakPolarHBondContact O-CA 3.38Å; N288-G471 PolarHBondContact O-N 3.01Å; H469-G471 PolarHBondContact O-N 3.07Å
472E80.8Confident79.9Confident99 Ų9952 Ų5246%0.46327%0.274SS..EExtended strand (participates in β ladder)trans-118.6148.8-177.6-59.5-174.3-175.900110.7K268 I468 H469 V474K268-E472 HydrophobicContact CB-CG 3.8Å; K268-E472 HydrophobicContact CD-CG 4.47Å; I468-E472 WeakPolarHBondContact CA-O 3.27Å; H469-E472 PolarHBondContact N-O 2.83Å; H469-E472 PolarHBondContact O-N 2.84Å; E472-V474 PolarHBondContact O-N 3.17Å
473I82.8Confident77.8Confident41 Ų4154.3 Ų54.321%0.2129%0.29CS..EExtended strand (participates in β ladder)trans-78.9107.3168.9-62.1-55.7000108.1L270 A466 V467 I468 G475 I476L270-I473 HydrophobicContact CD1-CD1 3.97Å; L270-I473 HydrophobicContact CD1-CG1 3.93Å; L270-I473 HydrophobicContact CD2-CG1 4.5Å; L270-I473 HydrophobicContact CG-CG1 3.95Å; A466-I473 HydrophobicContact CB-CD1 4.04Å; A466-I473 HydrophobicContact CB-CG2 4.13Å; V467-I473 CarbonylContact O-C 3.17Å; V467-I473 WeakPolarHBondContact O-CA 3.07Å; I468-I473 HydrophobicContact CB-CD1 3.87Å; I468-I473 HydrophobicContact CG1-CD1 4.2Å; I473-G475 WeakPolarHBondContact CG2-O 3.24Å; I473-I476 HydrophobicContact CG2-CG1 4.02Å
474V73.9Confident75.6Confident93 Ų9357.7 Ų57.756%0.56431%0.305SS*.EExtended strand (participates in β ladder)trans-82.9-12.8-178.9-67.70000113.3V467 H469 E472V467-V474 HydrophobicContact CB-CG2 4.04Å; V467-V474 HydrophobicContact CG1-CG2 3.8Å; V467-V474 WeakPolarHBondContact O-CG2 3.22Å; V467-V474 PolarHBondContact O-N 3.14Å; H469-V474 HydrophobicContact CB-CG1 3.89Å; H469-V474 HydrophobicContact CB-CG2 4.04Å; E472-V474 PolarHBondContact O-N 3.17Å
475G73.9Confident73.2Confident28 Ų2860.9 Ų60.929%0.28933%0.327SS..EExtended strand (participates in β ladder)trans-176.2161.7172.700000113.2A466 V467 I473A466-G475 WeakPolarHBondContact CA-O 3.3Å; V467-G475 PolarHBondContact N-O 3.47Å; I473-G475 WeakPolarHBondContact CG2-O 3.24Å
476I83.4Confident70.9Confident86 Ų8667.3 Ų67.344%0.44136%0.357SS..EExtended strand (participates in β ladder)trans-124.2128167-57.4-180000107.6L272 I465 A466 I473L272-I476 HydrophobicContact CD1-CD1 3.89Å; I465-I476 CarbonylContact O-C 3.3Å; I465-I476 VanDerWaalsContact O-CA 3.22Å; I465-I476 WeakPolarHBondContact O-CA 3.21Å; A466-I476 HydrophobicContact CB-CG1 4.09Å; I473-I476 HydrophobicContact CG2-CG1 4.02Å
477V78.7Confident68.6Low51 Ų5167.5 Ų67.531%0.30936%0.358SS..EExtended strand (participates in β ladder)trans-130.9157-171.4-58.80000111.9I465 T482I465-V477 HydrophobicContact CB-CG2 3.87Å; I465-V477 HydrophobicContact CD1-CG2 4.43Å; I465-V477 HydrophobicContact CG2-CG2 4.46Å; I465-V477 PolarHBondContact N-O 3.05Å; I465-V477 PolarHBondContact O-N 3.19Å; V477-T482 WeakPolarHBondContact CB-OG1 3.43Å; V477-T482 HydrophobicContact CG2-CG2 4.1Å; V477-T482 VanDerWaalsContact CG2-OG1 3.24Å; V477-T482 WeakPolarHBondContact CG2-OG1 3.26Å
478D78Confident66.4Low51 Ų5166.8 Ų66.827%0.27336%0.356SS..  trans-87.8126.1172.7-169-33.8000109.7K480 E481 T482D478-K480 PolarHBondContact O-N 3.01Å; D478-K480 VanDerWaalsContact OD1-CB 3.29Å; D478-K480 WeakPolarHBondContact OD1-CB 3.33Å; D478-K480 VanDerWaalsContact OD1-CG 3.3Å; D478-K480 WeakPolarHBondContact OD1-CG 3.5Å; D478-K480 PolarHBondContact OD1-N 2.78Å; D478-K480 IonicContact OD1-NZ 4Å; D478-K480 PolarHBondContact OD1-NZ 3.09Å; D478-K480 IonicContact OD2-NZ 3.92Å; D478-K480 PolarHBondContact OD2-NZ 2.98Å; D478-E481 HydrophobicContact CB-CG 4.39Å; D478-E481 PolarHBondContact O-N 2.97Å; D478-T482 PolarHBondContact O-N 2.95Å; D478-T482 PolarHBondContact O-OG1 3.42Å
479P79.4Confident64.4Low19 Ų1972 Ų7212%0.12338%0.383CS..THydrogen-bonded Turntrans-59.8-13.3174.220.4-29.8000114.8L459 S462 D463 I465L459-P479 HydrophobicContact CD2-CB 3.99Å; S462-P479 VanDerWaalsContact O-CG 3.3Å; S462-P479 WeakPolarHBondContact O-CG 3.23Å; D463-P479 WeakPolarHBondContact O-CD 3.28Å; I465-P479 HydrophobicContact CD1-CB 3.83Å; I465-P479 HydrophobicContact CD1-CG 4.48Å; I465-P479 HydrophobicContact CG1-CB 4.35Å; I465-P479 HydrophobicContact CG1-CG 4.49Å
480K74.5Confident62.4Low162 Ų16269.5 Ų69.570%0.70437%0.373SS*.THydrogen-bonded Turntrans-78.7-19.4172.1-61.1174.3-136.367.30113.5D478D478-K480 PolarHBondContact O-N 3.01Å; D478-K480 VanDerWaalsContact OD1-CB 3.29Å; D478-K480 WeakPolarHBondContact OD1-CB 3.33Å; D478-K480 VanDerWaalsContact OD1-CG 3.3Å; D478-K480 WeakPolarHBondContact OD1-CG 3.5Å; D478-K480 PolarHBondContact OD1-N 2.78Å; D478-K480 IonicContact OD1-NZ 4Å; D478-K480 PolarHBondContact OD1-NZ 3.09Å; D478-K480 IonicContact OD2-NZ 3.92Å; D478-K480 PolarHBondContact OD2-NZ 2.98Å
481E68.2Low60.8Low172 Ų17267.7 Ų67.780%0.80436%0.356SS*.THydrogen-bonded Turntrans-115.8-8.8-173.9-59.1-169.8157.200113.2D478D478-E481 HydrophobicContact CB-CG 4.39Å; D478-E481 PolarHBondContact O-N 2.97Å
482T55.2Low58.5Low31 Ų3169.3 Ų69.319%0.1937%0.369CS..  trans-103.6140.2-175.8-46.20000111.1V477 D478 L487V477-T482 WeakPolarHBondContact CB-OG1 3.43Å; V477-T482 HydrophobicContact CG2-CG2 4.1Å; V477-T482 VanDerWaalsContact CG2-OG1 3.24Å; V477-T482 WeakPolarHBondContact CG2-OG1 3.26Å; D478-T482 PolarHBondContact O-N 2.95Å; D478-T482 PolarHBondContact O-OG1 3.42Å; T482-L487 HydrophobicContact CG2-CD1 3.99Å; T482-L487 HydrophobicContact CG2-CG 4.38Å
483S48.4Very low55.9Low49 Ų4964.6 Ų64.634%0.34335%0.348SS..  trans-97.4152.7177.276.70000113.8N485 E486S483-N485 VanDerWaalsContact C-N 3.31Å; S483-N485 PolarHBondContact O-N 2.9Å; S483-E486 VanDerWaalsContact CB-OE2 3.29Å; S483-E486 WeakPolarHBondContact CB-OE2 3.45Å; S483-E486 PolarHBondContact N-OE2 3.12Å; S483-E486 PolarHBondContact O-N 3.23Å; S483-E486 WeakPolarHBondContact OG-CG 3.48Å; S483-E486 PolarHBondContact OG-OE2 3.46Å
484E46.3Very low53.2Low92 Ų9263 Ų6343%0.4334%0.339SS..Hα-helixtrans-59.6-39.2177.2-163.2-148.8162.600112.1L455 L459 E486 L487 G488L455-E484 HydrophobicContact CB-CG 4.14Å; L459-E484 HydrophobicContact CD1-CB 3.96Å; L459-E484 HydrophobicContact CD1-CG 4.36Å; E484-E486 VanDerWaalsContact C-N 3.31Å; E484-E486 PolarHBondContact O-N 2.98Å; E484-L487 CarbonylContact O-C 3.57Å; E484-L487 PolarHBondContact O-N 3.07Å; E484-L487 VanDerWaalsContact O-N 3.14Å; E484-G488 WeakPolarHBondContact O-CA 3.37Å; E484-G488 PolarHBondContact O-N 2.96Å
485N40.1Very low50.9Low133 Ų13360.7 Ų60.771%0.71133%0.327SS*.Hα-helixtrans-64.7-30.3-178.5-74.9-51.7000113.9S483 L487 G488S483-N485 VanDerWaalsContact C-N 3.31Å; S483-N485 PolarHBondContact O-N 2.9Å; N485-L487 VanDerWaalsContact C-N 3.33Å; N485-G488 PolarHBondContact O-N 3.28Å
486E40.4Very low48.5Very low135 Ų13561.3 Ų61.363%0.63132%0.323SS*.Hα-helixtrans-70.9-32.6176.1-70.3163.4116.300111.8S483 E484S483-E486 VanDerWaalsContact CB-OE2 3.29Å; S483-E486 WeakPolarHBondContact CB-OE2 3.45Å; S483-E486 PolarHBondContact N-OE2 3.12Å; S483-E486 PolarHBondContact O-N 3.23Å; S483-E486 WeakPolarHBondContact OG-CG 3.48Å; S483-E486 PolarHBondContact OG-OE2 3.46Å; E484-E486 VanDerWaalsContact C-N 3.31Å; E484-E486 PolarHBondContact O-N 2.98Å
487L42.2Very low45.7Very low5 Ų560.6 Ų60.63%0.02632%0.318CS..Hα-helixtrans-81.1-28.8171.6-69.3152.6000111.5A283 L455 L459 V467 T482 E484 N485 L489 L490A283-L487 HydrophobicContact CB-CD2 3.6Å; L455-L487 HydrophobicContact CB-CB 4.22Å; L455-L487 HydrophobicContact CD1-CB 3.63Å; L455-L487 VanDerWaalsContact CD1-O 3.28Å; L455-L487 WeakPolarHBondContact CD1-O 2.97Å; L455-L487 HydrophobicContact CD2-CB 3.7Å; L455-L487 HydrophobicContact CD2-CD2 4.31Å; L455-L487 HydrophobicContact CD2-CG 4.47Å; L455-L487 HydrophobicContact CG-CB 4.02Å; L459-L487 HydrophobicContact CD1-CD1 4.09Å; L459-L487 HydrophobicContact CD2-CD1 4.01Å; L459-L487 HydrophobicContact CG-CD1 4.05Å; V467-L487 HydrophobicContact CG2-CD2 4.44Å; T482-L487 HydrophobicContact CG2-CD1 3.99Å; T482-L487 HydrophobicContact CG2-CG 4.38Å; E484-L487 CarbonylContact O-C 3.57Å; E484-L487 PolarHBondContact O-N 3.07Å; E484-L487 VanDerWaalsContact O-N 3.14Å; N485-L487 VanDerWaalsContact C-N 3.33Å; L487-L489 PolarHBondContact O-N 2.74Å; L487-L490 VanDerWaalsContact O-CB 3.31Å; L487-L490 WeakPolarHBondContact O-CB 3.49Å; L487-L490 WeakPolarHBondContact O-CG 3.48Å; L487-L490 PolarHBondContact O-N 3.23Å
488G36.1Very low43.2Very low12 Ų1262.7 Ų62.712%0.12433%0.325CS..Hα-helixtrans-54.9-51.6-164.200000115.1P167 E484 N485 L490 M491P167-G488 WeakPolarHBondContact CG-O 3.48Å; E484-G488 WeakPolarHBondContact O-CA 3.37Å; E484-G488 PolarHBondContact O-N 2.96Å; N485-G488 PolarHBondContact O-N 3.28Å; G488-L490 PolarHBondContact O-N 3.31Å; G488-M491 PolarHBondContact O-N 2.95Å
489L41.6Very low40.5Very low109 Ų10963 Ų6357%0.57133%0.334SS*.THydrogen-bonded Turntrans-58.9-2.9-175.2-64.7168.9000114.7Q168 L487Q168-L489 HydrophobicContact CG-CD2 3.79Å; Q168-L489 PolarHBondContact NE2-O 2.85Å; Q168-L489 PolarHBondContact OE1-O 2.98Å; L487-L489 PolarHBondContact O-N 2.74Å
490L33.2Very low37.9Very low42 Ų4270.6 Ų70.622%0.2236%0.36CS..THydrogen-bonded Turntrans-95.4-23.6-174-61.5169.4000114I285 L487 G488I285-L490 WeakPolarHBondContact CA-O 3.38Å; I285-L490 WeakPolarHBondContact CB-O 3.47Å; I285-L490 HydrophobicContact CD1-CD2 4.07Å; I285-L490 HydrophobicContact CG1-CB 3.88Å; I285-L490 HydrophobicContact CG1-CD2 3.7Å; I285-L490 HydrophobicContact CG1-CG 4.42Å; I285-L490 WeakPolarHBondContact CG1-O 3.28Å; I285-L490 WeakPolarHBondContact CG2-O 3.4Å; L487-L490 VanDerWaalsContact O-CB 3.31Å; L487-L490 WeakPolarHBondContact O-CB 3.49Å; L487-L490 WeakPolarHBondContact O-CG 3.48Å; L487-L490 PolarHBondContact O-N 3.23Å; G488-L490 PolarHBondContact O-N 3.31Å
491M38.7Very low35.6Very low12 Ų1266 Ų666%0.05935%0.352CS..  trans-124.9-41.8-140-65.8-108.453.200123.5G284 F453 L455 G488G284-M491 WeakPolarHBondContact O-CE 3.45Å; G284-M491 VanDerWaalsContact O-SD 3.38Å; F453-M491 HydrophobicContact CB-CE 3.56Å; F453-M491 HydrophobicContact CB-SD 4.32Å; F453-M491 HydrophobicContact CD1-CE 3.34Å; F453-M491 HydrophobicContact CD1-SD 4.48Å; F453-M491 HydrophobicContact CD2-CE 4.26Å; F453-M491 HydrophobicContact CE1-CE 4.07Å; F453-M491 HydrophobicContact CG-CE 3.46Å; F453-M491 VanDerWaalsContact CG-CE 3.46Å; F453-M491 WeakPolarHBondContact O-CB 3.17Å; L455-M491 HydrophobicContact CD1-CB 4.34Å; L455-M491 HydrophobicContact CD1-CG 4.07Å; L455-M491 HydrophobicContact CD2-CG 3.81Å; L455-M491 HydrophobicContact CD2-SD 3.72Å; L455-M491 HydrophobicContact CG-CG 4.14Å; G488-M491 PolarHBondContact O-N 2.95Å
492A32.6Very low33.6Very low33 Ų3363.4 Ų63.427%0.27334%0.34SS..  trans-80.6-173.8-159.100000115.5L165 T166 P167 I170L165-A492 CarbonylContact C-O 3.56Å; L165-A492 CarbonylContact O-C 3.52Å; L165-A492 VanDerWaalsContact O-CB 3.27Å; L165-A492 WeakPolarHBondContact O-CB 3.31Å; T166-A492 WeakPolarHBondContact CA-O 3.49Å; T166-A492 PolarHBondContact N-O 2.92Å; T166-A492 VanDerWaalsContact N-O 3.08Å; P167-A492 HydrophobicContact CG-CB 3.89Å; I170-A492 HydrophobicContact CD1-CB 4.4Å
493G25.7Very low32.1Very low1 Ų165.2 Ų65.21%0.0135%0.348CS..  cis149.602.800000124.2T162 A163 L165T162-G493 CarbonylContact C-O 3.45Å; T162-G493 VanDerWaalsContact CA-C 3.46Å; T162-G493 WeakPolarHBondContact CA-O 3.42Å; T162-G493 CarbonylContact O-C 3.57Å; A163-G493 PolarHBondContact N-O 3.16Å; A163-G493 WeakPolarHBondContact O-CA 3.47Å; L165-G493 WeakPolarHBondContact CB-O 3.36Å; L165-G493 CarbonylContact O-C 3.6Å; L165-G493 WeakPolarHBondContact O-CA 3.49Å; L165-G493 PolarHBondContact O-N 3.12Å
494Y26.2Very low31.2Very low8 Ų864.4 Ų64.43%0.03135%0.345CS..  0165.70-54.4-49.1000133.8F82 V137 G138 Q141 P161 A163 V164 L165F82-Y494 AromaticContact CE1-CD1 3.84Å; F82-Y494 HydrophobicContact CE1-CD1 3.84Å; F82-Y494 HydrophobicContact CE1-CD2 4.43Å; F82-Y494 AromaticContact CE1-CE1 3.92Å; F82-Y494 HydrophobicContact CE1-CE1 3.92Å; F82-Y494 HydrophobicContact CE1-CE2 4.49Å; F82-Y494 HydrophobicContact CE1-CG 4.16Å; F82-Y494 HydrophobicContact CE2-CD2 4.49Å; F82-Y494 AromaticContact CZ-CD1 3.69Å; F82-Y494 HydrophobicContact CZ-CD1 3.69Å; F82-Y494 AromaticContact CZ-CD2 3.6Å; F82-Y494 HydrophobicContact CZ-CD2 3.6Å; F82-Y494 HydrophobicContact CZ-CE1 4.03Å; F82-Y494 AromaticContact CZ-CE2 3.95Å; F82-Y494 HydrophobicContact CZ-CE2 3.95Å; F82-Y494 AromaticContact CZ-CG 3.51Å; F82-Y494 HydrophobicContact CZ-CG 3.51Å; V137-Y494 HydrophobicContact CB-CD2 3.84Å; V137-Y494 HydrophobicContact CB-CE2 3.94Å; V137-Y494 HydrophobicContact CG1-CD2 3.37Å; V137-Y494 HydrophobicContact CG1-CE2 3.89Å; V137-Y494 HydrophobicContact CG1-CG 4.3Å; V137-Y494 WeakPolarHBondContact O-CE2 3.43Å; G138-Y494 WeakPolarHBondContact CA-OH 3.38Å; Q141-Y494 HydrophobicContact CB-CE1 3.39Å; Q141-Y494 HydrophobicContact CB-CE2 4.42Å; Q141-Y494 WeakPolarHBondContact CB-OH 3.27Å; Q141-Y494 HydrophobicContact CG-CE1 3.56Å; P161-Y494 WeakPolarHBondContact O-CD1 3.49Å; A163-Y494 VanDerWaalsContact C-N 3.34Å; A163-Y494 CarbonylContact C-O 3.6Å; A163-Y494 WeakPolarHBondContact CA-O 3.43Å; A163-Y494 WeakPolarHBondContact CB-O 3.32Å; A163-Y494 VanDerWaalsContact N-C 3.31Å; A163-Y494 PolarHBondContact N-O 3.16Å; V164-Y494 PolarHBondContact N-O 2.79Å; V164-Y494 WeakPolarHBondContact O-CB 3.47Å; V164-Y494 WeakPolarHBondContact O-CD2 3.36Å; L165-Y494 HydrophobicContact CB-CD1 3.75Å; L165-Y494 HydrophobicContact CB-CD2 3.38Å; L165-Y494 HydrophobicContact CB-CE1 3.83Å; L165-Y494 HydrophobicContact CB-CE2 3.49Å; L165-Y494 VanDerWaalsContact CB-CE2 3.49Å; L165-Y494 HydrophobicContact CB-CG 3.47Å; L165-Y494 VanDerWaalsContact CB-CG 3.47Å; L165-Y494 HydrophobicContact CD1-CD1 3.9Å; L165-Y494 HydrophobicContact CD1-CE1 3.34Å; L165-Y494 HydrophobicContact CD1-CE2 4.25Å; L165-Y494 HydrophobicContact CD1-CG 4.5Å; L165-Y494 HydrophobicContact CG-CD1 3.96Å; L165-Y494 HydrophobicContact CG-CD2 3.88Å; L165-Y494 HydrophobicContact CG-CE1 3.5Å; L165-Y494 VanDerWaalsContact CG-CE1 3.5Å; L165-Y494 HydrophobicContact CG-CE2 3.42Å; L165-Y494 VanDerWaalsContact CG-CE2 3.42Å; L165-Y494 HydrophobicContact CG-CG 4.1Å; L165-Y494 WeakPolarHBondContact CG-OH 3.43Å
495S25.4Very low30.3Very low43 Ų4368.4 Ų68.430%0.30136%0.361SS..  trans90.7115.1161.1-167.60000125.7Q80 H81Q80-S495 PolarHBondContact NE2-O 2.8Å; Q80-S495 VanDerWaalsContact NE2-O 3.15Å; Q80-S495 WeakPolarHBondContact O-CA 3.18Å; Q80-S495 PolarHBondContact O-N 2.74Å; Q80-S495 PolarHBondContact OE1-O 2.94Å; H81-S495 PolarHBondContact CD2-OG 3.11Å; H81-S495 PolarHBondContact CE1-OG 3.44Å; H81-S495 PolarHBondContact ND1-OG 3Å; H81-S495 PolarHBondContact NE2-OG 3.4Å
496L25Very low29.9Very low41 Ų4162.9 Ų62.922%0.21533%0.334CS..  trans-135.3-174.4-164.4-165.854.6000117.9H79 Q80 H81 D159H79-L496 HydrophobicContact CB-CD2 4.29Å; Q80-L496 HydrophobicContact CB-CB 3.67Å; Q80-L496 HydrophobicContact CB-CD2 3.94Å; Q80-L496 HydrophobicContact CB-CG 4.21Å; Q80-L496 HydrophobicContact CG-CB 3.78Å; Q80-L496 VanDerWaalsContact OE1-CA 3.25Å; H81-L496 HydrophobicContact CB-CB 3.97Å; H81-L496 VanDerWaalsContact CB-N 3.33Å; H81-L496 VanDerWaalsContact CG-N 3.29Å; H81-L496 PolarHBondContact ND1-N 2.83Å; H81-L496 PolarHBondContact ND1-O 3.43Å; D159-L496 HydrophobicContact CB-CD2 3.64Å
497E24.7Very low30Very low72 Ų7259.5 Ų59.534%0.33632%0.322SS..  124.7162.2124.9-122.8-160.7156.600124H79 H81 M83H79-E497 IonicContact CE1-OE1 3.68Å; H79-E497 PolarHBondContact CE1-OE1 2.88Å; H79-E497 IonicContact CG-OE1 2.72Å; H79-E497 IonicContact ND1-OE1 3.59Å; H79-E497 PolarHBondContact ND1-OE1 2.9Å; H81-E497 HydrophobicContact CB-CB 4.38Å; M83-E497 VanDerWaalsContact CE-OE1 3.24Å; M83-E497 WeakPolarHBondContact CE-OE1 3.4Å; M83-E497 WeakPolarHBondContact CE-OE2 3.14Å; M83-E497 WeakPolarHBondContact CG-OE1 3.5Å; M83-E497 WeakPolarHBondContact CG-OE2 3.27Å
498E25.2Very low30.6Very low95 Ų9565.8 Ų65.844%0.44435%0.354SS..  trans60.2141.9167.1-62.4-170.5140.700121M83 R500M83-E498 HydrophobicContact CE-CG 4.16Å; M83-E498 WeakPolarHBondContact CE-OE1 3.47Å; E498-R500 IonicContact OE1-NE 3.92Å; E498-R500 IonicContact OE1-NH2 3.78Å; E498-R500 IonicContact OE2-CZ 2.79Å; E498-R500 IonicContact OE2-NE 3.34Å; E498-R500 PolarHBondContact OE2-NE 3.23Å; E498-R500 IonicContact OE2-NH2 3.05Å; E498-R500 PolarHBondContact OE2-NH2 3.38Å
499A21.5Very low31.8Very low57 Ų5767.6 Ų67.647%0.47136%0.361SS..  cis80.684.52.400000120.1
500R23.8Very low33.3Very low179 Ų17962.5 Ų62.568%0.67533%0.334SS*.  trans-147.5140.2168.9-58.7-175.3-179.2-161.2-3.5112.9E498 V838E498-R500 IonicContact OE1-NE 3.92Å; E498-R500 IonicContact OE1-NH2 3.78Å; E498-R500 IonicContact OE2-CZ 2.79Å; E498-R500 IonicContact OE2-NE 3.34Å; E498-R500 PolarHBondContact OE2-NE 3.23Å; E498-R500 IonicContact OE2-NH2 3.05Å; E498-R500 PolarHBondContact OE2-NH2 3.38Å; R500-V838 HydrophobicContact CB-CG1 3.58Å
501A26.5Very low35.6Very low65 Ų6564.7 Ų64.754%0.53734%0.342SS..BIsolated β-bridgetrans-171.9151-177.100000112.4M839 G840 G841A501-M839 WeakPolarHBondContact CA-O 3.13Å; A501-G840 VanDerWaalsContact C-CA 3.49Å; A501-G840 CarbonylContact C-O 3.58Å; A501-G840 VanDerWaalsContact C-O 3.25Å; A501-G840 VanDerWaalsContact CA-N 3.28Å; A501-G840 PolarHBondContact N-O 3.05Å; A501-G840 VanDerWaalsContact N-O 3.12Å; A501-G840 CarbonylContact O-C 3.51Å; A501-G841 WeakPolarHBondContact O-CA 3.46Å; A501-G841 PolarHBondContact O-N 3.49Å
502E26.2Very low37.5Very low118 Ų11867.5 Ų67.555%0.55136%0.36SS*.  cis-159.8149.27.7-126.3-59.8111.200109.5M839 G840E502-M839 WeakPolarHBondContact OE1-CB 3.5Å; E502-M839 WeakPolarHBondContact OE1-CE 3.46Å; E502-M839 VanDerWaalsContact OE2-CE 3.28Å; E502-M839 WeakPolarHBondContact OE2-CE 3.3Å; E502-G840 VanDerWaalsContact N-CA 3.3Å; E502-G840 VanDerWaalsContact N-N 3.12Å
503L24.5Very low39.7Very low68 Ų6868.5 Ų68.536%0.35636%0.361SS..  trans171143.4173.1-108.3154.8000120.6M839 R945L503-M839 WeakPolarHBondContact O-CG 3.42Å; L503-R945 VanDerWaalsContact O-CZ 3.28Å; L503-R945 PolarHBondContact O-NE 2.89Å; L503-R945 PolarHBondContact O-NH1 3.41Å
504A29Very low42.5Very low33 Ų3368.5 Ų68.527%0.27336%0.36SS..  trans-172.5156.1160.100000118.2L835 M839A504-L835 HydrophobicContact CB-CD1 4.42Å; A504-L835 HydrophobicContact CB-CD2 3.43Å; A504-L835 VanDerWaalsContact CB-CD2 3.43Å; A504-L835 HydrophobicContact CB-CG 4.01Å; A504-M839 HydrophobicContact CB-CE 4.49Å
505K28Very low45.3Very low176 Ų17669.1 Ų69.177%0.76537%0.367SS*.  trans158.6144.6151.2-93.2164.9-175.1176.20112.3F944K505-F944 WeakPolarHBondContact O-CD1 3.46Å
506A31.2Very low48.1Very low17 Ų1770.5 Ų70.514%0.1437%0.374CS..  trans-161.2-41.4174.800000124I508 I827 V831 F944A506-I508 PolarHBondContact O-N 3.41Å; A506-I827 HydrophobicContact CB-CG2 3.24Å; A506-V831 HydrophobicContact CB-CG2 3.94Å; A506-F944 HydrophobicContact CB-CB 3.74Å; A506-F944 HydrophobicContact CB-CD1 3.76Å; A506-F944 HydrophobicContact CB-CG 4.14Å; A506-F944 WeakPolarHBondContact CB-O 3.33Å
507V42.3Very low50.8Low64 Ų6470 Ų7039%0.38837%0.371SS..THydrogen-bonded Turntrans-44.8-47.2-151.6-164.90000118.9L509 N828V507-L509 PolarHBondContact O-N 3.39Å; V507-L509 VanDerWaalsContact O-N 3.12Å; V507-N828 HydrophobicContact CB-CB 4.06Å; V507-N828 HydrophobicContact CG1-CB 3.76Å; V507-N828 WeakPolarHBondContact CG1-ND2 3.22Å; V507-N828 HydrophobicContact CG2-CB 3.7Å; V507-N828 WeakPolarHBondContact CG2-OD1 3.06Å
508I55.7Low53.8Low136 Ų13666.6 Ų66.670%0.69736%0.355SS*.THydrogen-bonded Turntrans-68.2-21.7-156.7-66.1170.1000112.7A506 G510 V512A506-I508 PolarHBondContact O-N 3.41Å; I508-G510 VanDerWaalsContact C-N 3.27Å; I508-G510 PolarHBondContact O-N 2.84Å; I508-V512 HydrophobicContact CG2-CG2 4.01Å; I508-V512 WeakPolarHBondContact O-CG2 3.25Å
509L60.5Low56.7Low51 Ų5167.4 Ų67.427%0.26736%0.362SS..Hα-helixtrans-65.5-23.5-169-169.859.5000114.4V507 V512 L513 F824 F944V507-L509 PolarHBondContact O-N 3.39Å; V507-L509 VanDerWaalsContact O-N 3.12Å; L509-V512 HydrophobicContact CD1-CG1 4.49Å; L509-V512 PolarHBondContact O-N 3.23Å; L509-L513 HydrophobicContact CD1-CD1 4.14Å; L509-L513 HydrophobicContact CD1-CD2 4.38Å; L509-L513 HydrophobicContact CD1-CG 3.87Å; L509-L513 HydrophobicContact CD2-CD1 4.07Å; L509-L513 HydrophobicContact CG-CD1 3.69Å; L509-L513 HydrophobicContact CG-CG 3.9Å; L509-L513 WeakPolarHBondContact O-CB 3.32Å; L509-L513 WeakPolarHBondContact O-CG 3.28Å; L509-L513 PolarHBondContact O-N 2.94Å; L509-F824 HydrophobicContact CB-CD1 3.96Å; L509-F824 HydrophobicContact CB-CE1 3.8Å; L509-F824 HydrophobicContact CB-CZ 4.28Å; L509-F824 HydrophobicContact CD2-CE1 3.74Å; L509-F824 HydrophobicContact CD2-CZ 3.81Å; L509-F824 HydrophobicContact CG-CE1 3.95Å; L509-F824 HydrophobicContact CG-CZ 3.98Å; L509-F944 HydrophobicContact CD2-CD2 4.18Å; L509-F944 HydrophobicContact CD2-CE1 4.41Å; L509-F944 HydrophobicContact CD2-CE2 3.29Å; L509-F944 HydrophobicContact CD2-CZ 3.44Å; L509-F944 VanDerWaalsContact CD2-CZ 3.44Å
510G73.4Confident59.5Low1 Ų169.4 Ų69.41%0.0137%0.368CS..Hα-helixtrans-64.4-56.1-177.600000115.1I508 V512 L513 G514 F824I508-G510 VanDerWaalsContact C-N 3.27Å; I508-G510 PolarHBondContact O-N 2.84Å; G510-V512 PolarHBondContact O-N 3.18Å; G510-L513 PolarHBondContact O-N 3.4Å; G510-G514 PolarHBondContact O-N 3.44Å; G510-F824 VanDerWaalsContact CA-CG 3.41Å
511F81.4Confident62.2Low89 Ų8963.3 Ų63.339%0.3935%0.347SS..Hα-helixtrans-66.7-27.9176.4-69.7-81.3000111.8A515 Y529 F533 I821 V825F511-A515 VanDerWaalsContact O-CB 3.25Å; F511-A515 WeakPolarHBondContact O-CB 3.25Å; F511-A515 PolarHBondContact O-N 2.91Å; F511-Y529 HydrophobicContact CD1-CE1 4.49Å; F511-Y529 HydrophobicContact CD1-CE2 4.4Å; F511-Y529 PolarHBondContact O-OH 2.97Å; F511-F533 HydrophobicContact CE1-CZ 4.39Å; F511-I821 HydrophobicContact CD1-CD1 4.13Å; F511-I821 HydrophobicContact CD1-CG1 4.23Å; F511-I821 HydrophobicContact CE1-CD1 3.84Å; F511-I821 HydrophobicContact CE1-CG1 4.11Å; F511-I821 HydrophobicContact CE1-CG2 4.03Å; F511-I821 HydrophobicContact CE2-CG2 4.2Å; F511-I821 HydrophobicContact CZ-CG2 3.7Å; F511-V825 HydrophobicContact CE2-CG2 4.5Å
512V77.8Confident64.8Low71 Ų7163.7 Ų63.743%0.4336%0.356SS..Hα-helixtrans-67.3-48.4172.7174.10000111I508 L509 G510 A515 V516I508-V512 HydrophobicContact CG2-CG2 4.01Å; I508-V512 WeakPolarHBondContact O-CG2 3.25Å; L509-V512 HydrophobicContact CD1-CG1 4.49Å; L509-V512 PolarHBondContact O-N 3.23Å; G510-V512 PolarHBondContact O-N 3.18Å; V512-A515 PolarHBondContact O-N 3.11Å; V512-V516 WeakPolarHBondContact O-CG2 3.35Å; V512-V516 PolarHBondContact O-N 3.46Å
513L79.4Confident67.8Low54 Ų5460.6 Ų60.628%0.28334%0.341SS..Hα-helixtrans-69.2-36.6179.5-73.2175.5000112.5L509 G510 A515 V516 L517 L820 F824L509-L513 HydrophobicContact CD1-CD1 4.14Å; L509-L513 HydrophobicContact CD1-CD2 4.38Å; L509-L513 HydrophobicContact CD1-CG 3.87Å; L509-L513 HydrophobicContact CD2-CD1 4.07Å; L509-L513 HydrophobicContact CG-CD1 3.69Å; L509-L513 HydrophobicContact CG-CG 3.9Å; L509-L513 WeakPolarHBondContact O-CB 3.32Å; L509-L513 WeakPolarHBondContact O-CG 3.28Å; L509-L513 PolarHBondContact O-N 2.94Å; G510-L513 PolarHBondContact O-N 3.4Å; L513-A515 VanDerWaalsContact C-N 3.33Å; L513-A515 PolarHBondContact O-N 2.75Å; L513-V516 PolarHBondContact O-N 2.83Å; L513-L517 WeakPolarHBondContact O-CB 3.44Å; L513-L517 PolarHBondContact O-N 3.05Å; L513-L820 HydrophobicContact CB-CD1 4.4Å; L513-L820 HydrophobicContact CB-CD2 4.03Å; L513-L820 HydrophobicContact CB-CG 4.42Å; L513-F824 HydrophobicContact CD1-CE2 3.62Å; L513-F824 HydrophobicContact CD1-CZ 3.76Å
514G84.5Confident70.7Confident0 Ų060.2 Ų60.20%034%0.339CS..Hα-helixtrans-64.3-36171.900000113.1G510 M518 Y529G510-G514 PolarHBondContact O-N 3.44Å; G514-M518 WeakPolarHBondContact O-CE 3.37Å; G514-M518 PolarHBondContact O-N 3.32Å; G514-M518 VanDerWaalsContact O-N 3.15Å; G514-Y529 VanDerWaalsContact C-OH 3.29Å; G514-Y529 WeakPolarHBondContact CA-OH 3.18Å
515A85.5Confident73.5Confident22 Ų2259.1 Ų59.118%0.18233%0.33CS..Hα-helixtrans-69.2-42.1172.300000112.6F511 V512 L513 L517 M518 L519 P525 Y529F511-A515 VanDerWaalsContact O-CB 3.25Å; F511-A515 WeakPolarHBondContact O-CB 3.25Å; F511-A515 PolarHBondContact O-N 2.91Å; V512-A515 PolarHBondContact O-N 3.11Å; L513-A515 VanDerWaalsContact C-N 3.33Å; L513-A515 PolarHBondContact O-N 2.75Å; A515-L517 VanDerWaalsContact C-N 3.32Å; A515-L517 PolarHBondContact O-N 3.33Å; A515-M518 PolarHBondContact O-N 2.73Å; A515-L519 WeakPolarHBondContact O-CG 3.49Å; A515-L519 PolarHBondContact O-N 3.05Å; A515-P525 HydrophobicContact CB-CB 3.72Å; A515-P525 HydrophobicContact CB-CG 3.88Å; A515-P525 VanDerWaalsContact O-CG 3.25Å; A515-P525 WeakPolarHBondContact O-CG 3.47Å; A515-Y529 HydrophobicContact CB-CE2 4.23Å; A515-Y529 PolarHBondContact N-OH 2.98Å
516V83.2Confident76.3Confident72 Ų7256.4 Ų56.444%0.43632%0.323SS..Hα-helixtrans-60.2-44173.4168.90000110.5V512 L513 M518 L519 V520V512-V516 WeakPolarHBondContact O-CG2 3.35Å; V512-V516 PolarHBondContact O-N 3.46Å; L513-V516 PolarHBondContact O-N 2.83Å; V516-M518 PolarHBondContact O-N 2.71Å; V516-L519 PolarHBondContact O-N 3.12Å; V516-V520 HydrophobicContact CG1-CG2 4.18Å; V516-V520 WeakPolarHBondContact O-CB 3.47Å; V516-V520 VanDerWaalsContact O-CG2 3.25Å; V516-V520 WeakPolarHBondContact O-CG2 3.11Å; V516-V520 PolarHBondContact O-N 3.03Å
517L82.9Confident78.9Confident30 Ų3061.6 Ų61.616%0.15734%0.344CS..Hα-helixtrans-59.1-47.1178.6-16574.1000111.6L513 A515 F521 L813 V817 L820 L962L513-L517 WeakPolarHBondContact O-CB 3.44Å; L513-L517 PolarHBondContact O-N 3.05Å; A515-L517 VanDerWaalsContact C-N 3.32Å; A515-L517 PolarHBondContact O-N 3.33Å; L517-F521 HydrophobicContact CD1-CE2 3.81Å; L517-F521 HydrophobicContact CG-CE2 4.14Å; L517-F521 WeakPolarHBondContact O-CD2 3.5Å; L517-L813 HydrophobicContact CD2-CD1 3.74Å; L517-L813 HydrophobicContact CG-CD1 3.85Å; L517-V817 HydrophobicContact CD2-CG2 4.12Å; L517-L820 HydrophobicContact CD2-CD2 4.4Å; L517-L962 HydrophobicContact CD1-CD1 4.27Å
518M86.3Confident81Confident0 Ų058.6 Ų58.60%033%0.325CS..Hα-helixtrans-64-44176.4-74.4-177.9-77.700112.5G514 A515 V516 V520 F521 G522 F523 P525 Y529 M804 I809 L813 V817G514-M518 WeakPolarHBondContact O-CE 3.37Å; G514-M518 PolarHBondContact O-N 3.32Å; G514-M518 VanDerWaalsContact O-N 3.15Å; A515-M518 PolarHBondContact O-N 2.73Å; V516-M518 PolarHBondContact O-N 2.71Å; M518-V520 PolarHBondContact O-N 2.58Å; M518-F521 CarbonylContact O-C 2.76Å; M518-F521 PolarHBondContact O-N 2.91Å; M518-G522 PolarHBondContact O-N 2.79Å; M518-F523 CarbonylContact C-O 2.93Å; M518-F523 HydrophobicContact CB-CB 4.18Å; M518-F523 PolarHBondContact O-N 3.2Å; M518-F523 VanDerWaalsContact O-O 3.08Å; M518-P525 HydrophobicContact CB-CG 4.11Å; M518-P525 HydrophobicContact CE-CB 3.91Å; M518-Y529 HydrophobicContact CE-CD1 3.99Å; M518-Y529 HydrophobicContact CE-CD2 4.22Å; M518-Y529 HydrophobicContact CE-CE1 3.54Å; M518-Y529 HydrophobicContact CE-CE2 3.83Å; M518-Y529 HydrophobicContact CE-CG 4.31Å; M518-Y529 VanDerWaalsContact CE-CZ 3.47Å; M518-M804 HydrophobicContact SD-CE 3.72Å; M518-I809 HydrophobicContact SD-CD1 4.2Å; M518-L813 HydrophobicContact CG-CD2 4.44Å; M518-V817 HydrophobicContact CE-CG1 4.41Å; M518-V817 HydrophobicContact CE-CG2 4.44Å; M518-V817 HydrophobicContact CG-CG2 4.12Å; M518-V817 HydrophobicContact SD-CG2 4.47Å
519L86.2Confident82.6Confident112 Ų11253.6 Ų53.659%0.58630%0.298SS*.Hα-helixtrans-61.1-41.1178.3-75.1167.6000113.1A515 V516 F521 G522 F523 P525A515-L519 WeakPolarHBondContact O-CG 3.49Å; A515-L519 PolarHBondContact O-N 3.05Å; V516-L519 PolarHBondContact O-N 3.12Å; L519-F521 PolarHBondContact O-N 2.89Å; L519-G522 PolarHBondContact O-N 3.18Å; L519-G522 VanDerWaalsContact O-N 3.12Å; L519-F523 PolarHBondContact N-O 3.18Å; L519-P525 HydrophobicContact CD1-CG 4.11Å; L519-P525 HydrophobicContact CD2-CG 4.01Å; L519-P525 HydrophobicContact CG-CG 3.57Å
520V80.6Confident83.8Confident99 Ų9956.2 Ų56.260%0.631%0.312SS*.Hα-helixtrans-59.8-29.2180165.30000111.9V516 M518V516-V520 HydrophobicContact CG1-CG2 4.18Å; V516-V520 WeakPolarHBondContact O-CB 3.47Å; V516-V520 VanDerWaalsContact O-CG2 3.25Å; V516-V520 WeakPolarHBondContact O-CG2 3.11Å; V516-V520 PolarHBondContact O-N 3.03Å; M518-V520 PolarHBondContact O-N 2.58Å
521F80.9Confident84.4Confident52 Ų5256.4 Ų56.423%0.22831%0.314CS..THydrogen-bonded Turntrans-105.719.2178.8-53.4-61.6000113.9L517 M518 L519 F523 L813 F965 L966L517-F521 HydrophobicContact CD1-CE2 3.81Å; L517-F521 HydrophobicContact CG-CE2 4.14Å; L517-F521 WeakPolarHBondContact O-CD2 3.5Å; M518-F521 CarbonylContact O-C 2.76Å; M518-F521 PolarHBondContact O-N 2.91Å; L519-F521 PolarHBondContact O-N 2.89Å; F521-F523 VanDerWaalsContact C-N 3.33Å; F521-F523 HydrophobicContact CB-CD2 4.05Å; F521-F523 HydrophobicContact CB-CE2 4.25Å; F521-F523 WeakPolarHBondContact O-CD2 3.44Å; F521-F523 VanDerWaalsContact O-CE2 3.28Å; F521-F523 WeakPolarHBondContact O-CE2 3.29Å; F521-F523 PolarHBondContact O-N 3.23Å; F521-L813 HydrophobicContact CB-CD2 4.48Å; F521-L813 HydrophobicContact CD2-CD1 4.22Å; F521-F965 HydrophobicContact CB-CE1 3.93Å; F521-F965 HydrophobicContact CB-CZ 3.84Å; F521-F965 AromaticContact CD1-CE1 3.86Å; F521-F965 HydrophobicContact CD1-CE1 3.86Å; F521-F965 HydrophobicContact CD2-CD1 4.36Å; F521-F965 AromaticContact CD2-CE1 3.47Å; F521-F965 HydrophobicContact CD2-CE1 3.47Å; F521-F965 VanDerWaalsContact CD2-CE1 3.47Å; F521-F965 HydrophobicContact CD2-CZ 4.16Å; F521-F965 HydrophobicContact CE1-CE1 4.28Å; F521-F965 HydrophobicContact CE2-CD1 4.45Å; F521-F965 AromaticContact CE2-CE1 3.93Å; F521-F965 HydrophobicContact CE2-CE1 3.93Å; F521-F965 AromaticContact CG-CE1 3.46Å; F521-F965 HydrophobicContact CG-CE1 3.46Å; F521-F965 VanDerWaalsContact CG-CE1 3.46Å; F521-F965 AromaticContact CG-CZ 3.92Å; F521-F965 HydrophobicContact CG-CZ 3.92Å; F521-F965 HydrophobicContact CZ-CE1 4.33Å; F521-L966 HydrophobicContact CE1-CD2 3.5Å; F521-L966 HydrophobicContact CZ-CD2 3.52Å
522G81.6Confident84.7Confident72 Ų7252.1 Ų52.174%0.74230%0.295SS*.THydrogen-bonded Turntrans79.35.8173.100000115.8M518 L519M518-G522 PolarHBondContact O-N 2.79Å; L519-G522 PolarHBondContact O-N 3.18Å; L519-G522 VanDerWaalsContact O-N 3.12Å
523F87.9Confident85.1Confident54 Ų5452.7 Ų52.724%0.23729%0.292CS..  trans-92.4135177.7-63-81.1000111.1M518 L519 F521 P525 G808 I809 P810 L813 F965M518-F523 CarbonylContact C-O 2.93Å; M518-F523 HydrophobicContact CB-CB 4.18Å; M518-F523 PolarHBondContact O-N 3.2Å; M518-F523 VanDerWaalsContact O-O 3.08Å; L519-F523 PolarHBondContact N-O 3.18Å; F521-F523 VanDerWaalsContact C-N 3.33Å; F521-F523 HydrophobicContact CB-CD2 4.05Å; F521-F523 HydrophobicContact CB-CE2 4.25Å; F521-F523 WeakPolarHBondContact O-CD2 3.44Å; F521-F523 VanDerWaalsContact O-CE2 3.28Å; F521-F523 WeakPolarHBondContact O-CE2 3.29Å; F521-F523 PolarHBondContact O-N 3.23Å; F523-P525 VanDerWaalsContact O-CD 3.29Å; F523-P525 WeakPolarHBondContact O-CD 3.19Å; F523-G808 WeakPolarHBondContact CE1-O 3.37Å; F523-I809 HydrophobicContact CB-CG1 4.49Å; F523-I809 HydrophobicContact CD1-CB 4.33Å; F523-I809 HydrophobicContact CD1-CG1 3.84Å; F523-I809 HydrophobicContact CD1-CG2 4.42Å; F523-I809 HydrophobicContact CG-CG1 4.36Å; F523-I809 HydrophobicContact CG-CG2 4.44Å; F523-P810 HydrophobicContact CZ-CG 3.97Å; F523-L813 HydrophobicContact CD2-CD2 3.42Å; F523-L813 VanDerWaalsContact CD2-CD2 3.42Å; F523-L813 HydrophobicContact CE2-CD2 3.87Å; F523-L813 HydrophobicContact CG-CD2 4.14Å; F523-F965 HydrophobicContact CE2-CE2 4.46Å; F523-F965 HydrophobicContact CE2-CZ 4.18Å
524N86.1Confident85.2Confident59 Ų5953.1 Ų53.132%0.31630%0.299SS..  trans-73.6117.7178.1179.5-3.2000110.7I526 E527 G528N524-I526 PolarHBondContact O-N 3.18Å; N524-I526 WeakPolarHBondContact OD1-CB 3.4Å; N524-I526 PolarHBondContact OD1-N 3.21Å; N524-E527 HydrophobicContact CB-CB 4.06Å; N524-E527 HydrophobicContact CB-CG 4.2Å; N524-E527 PolarHBondContact ND2-OE1 3.46Å; N524-E527 PolarHBondContact O-N 2.91Å; N524-G528 PolarHBondContact O-N 2.89Å
525P87Confident85.1Confident11 Ų1154 Ų547%0.07131%0.305CS..Hα-helixtrans-63.3-28.1179.3-23.134.5000114A515 M518 L519 F523 Y529A515-P525 HydrophobicContact CB-CB 3.72Å; A515-P525 HydrophobicContact CB-CG 3.88Å; A515-P525 VanDerWaalsContact O-CG 3.25Å; A515-P525 WeakPolarHBondContact O-CG 3.47Å; M518-P525 HydrophobicContact CB-CG 4.11Å; M518-P525 HydrophobicContact CE-CB 3.91Å; L519-P525 HydrophobicContact CD1-CG 4.11Å; L519-P525 HydrophobicContact CD2-CG 4.01Å; L519-P525 HydrophobicContact CG-CG 3.57Å; F523-P525 VanDerWaalsContact O-CD 3.29Å; F523-P525 WeakPolarHBondContact O-CD 3.19Å; P525-Y529 HydrophobicContact CB-CD2 4.45Å; P525-Y529 HydrophobicContact CB-CE2 4.45Å; P525-Y529 VanDerWaalsContact O-CB 3.31Å; P525-Y529 WeakPolarHBondContact O-CB 3.19Å; P525-Y529 VanDerWaalsContact O-CD2 3.27Å; P525-Y529 WeakPolarHBondContact O-CD2 3.39Å; P525-Y529 PolarHBondContact O-N 2.93Å
526I88.4Confident84.9Confident119 Ų11952.9 Ų52.961%0.6130%0.296SS*.Hα-helixtrans-72.1-41.1-179.5-57.8175000109.2N524 N530N524-I526 PolarHBondContact O-N 3.18Å; N524-I526 WeakPolarHBondContact OD1-CB 3.4Å; N524-I526 PolarHBondContact OD1-N 3.21Å; I526-N530 WeakPolarHBondContact O-CB 3.26Å; I526-N530 PolarHBondContact O-N 2.74Å; I526-N530 PolarHBondContact O-ND2 2.91Å
527E84.6Confident84.9Confident126 Ų12655 Ų5559%0.58930%0.3SS*.Hα-helixtrans-67.9-44.3171.7-74.3158.3-144.200111.2N524 N530 A531N524-E527 HydrophobicContact CB-CB 4.06Å; N524-E527 HydrophobicContact CB-CG 4.2Å; N524-E527 PolarHBondContact ND2-OE1 3.46Å; N524-E527 PolarHBondContact O-N 2.91Å; E527-N530 PolarHBondContact O-N 3.04Å; E527-A531 VanDerWaalsContact O-CB 3.25Å; E527-A531 WeakPolarHBondContact O-CB 3.17Å; E527-A531 PolarHBondContact O-N 3.29Å
528G86.4Confident84.8Confident0 Ų060.9 Ų60.90%033%0.327CS..Hα-helixtrans-60.7-47.2177.400000113.4N524 A531 M532 M804N524-G528 PolarHBondContact O-N 2.89Å; G528-A531 PolarHBondContact O-N 2.76Å; G528-M532 VanDerWaalsContact O-CB 3.31Å; G528-M532 WeakPolarHBondContact O-CB 3.47Å; G528-M532 PolarHBondContact O-N 3.35Å; G528-M804 WeakPolarHBondContact O-CG 3.39Å
529Y89.3Confident84.7Confident31 Ų3163.2 Ų63.212%0.12234%0.343CS..Hα-helixtrans-72.4-33175.5-66.4-37.9000113F511 G514 A515 M518 P525 M532 F533 V817 I821F511-Y529 HydrophobicContact CD1-CE1 4.49Å; F511-Y529 HydrophobicContact CD1-CE2 4.4Å; F511-Y529 PolarHBondContact O-OH 2.97Å; G514-Y529 VanDerWaalsContact C-OH 3.29Å; G514-Y529 WeakPolarHBondContact CA-OH 3.18Å; A515-Y529 HydrophobicContact CB-CE2 4.23Å; A515-Y529 PolarHBondContact N-OH 2.98Å; M518-Y529 HydrophobicContact CE-CD1 3.99Å; M518-Y529 HydrophobicContact CE-CD2 4.22Å; M518-Y529 HydrophobicContact CE-CE1 3.54Å; M518-Y529 HydrophobicContact CE-CE2 3.83Å; M518-Y529 HydrophobicContact CE-CG 4.31Å; M518-Y529 VanDerWaalsContact CE-CZ 3.47Å; P525-Y529 HydrophobicContact CB-CD2 4.45Å; P525-Y529 HydrophobicContact CB-CE2 4.45Å; P525-Y529 VanDerWaalsContact O-CB 3.31Å; P525-Y529 WeakPolarHBondContact O-CB 3.19Å; P525-Y529 VanDerWaalsContact O-CD2 3.27Å; P525-Y529 WeakPolarHBondContact O-CD2 3.39Å; P525-Y529 PolarHBondContact O-N 2.93Å; Y529-M532 HydrophobicContact CD1-SD 4.06Å; Y529-M532 HydrophobicContact CE1-SD 4.44Å; Y529-M532 PolarHBondContact O-N 3.35Å; Y529-F533 WeakPolarHBondContact O-CD2 3.4Å; Y529-F533 PolarHBondContact O-N 3.32Å; Y529-V817 HydrophobicContact CE1-CG1 3.79Å; Y529-I821 HydrophobicContact CE1-CD1 3.88Å
530N86.6Confident84.5Confident106 Ų10664.6 Ų64.657%0.56734%0.344SS*.Hα-helixtrans-63-43.7169.1-89-21.6000111.3I526 E527 M532 S534I526-N530 WeakPolarHBondContact O-CB 3.26Å; I526-N530 PolarHBondContact O-N 2.74Å; I526-N530 PolarHBondContact O-ND2 2.91Å; E527-N530 PolarHBondContact O-N 3.04Å; N530-M532 VanDerWaalsContact C-N 3.34Å; N530-M532 PolarHBondContact O-N 2.99Å; N530-S534 WeakPolarHBondContact O-CA 3.28Å; N530-S534 WeakPolarHBondContact O-CB 3.32Å; N530-S534 PolarHBondContact O-N 2.89Å; N530-S534 PolarHBondContact O-OG 3.33Å
531A86.2Confident84.8Confident5 Ų564.3 Ų64.34%0.04134%0.337CS..Hα-helixtrans-60.6-44.7175.800000111.3E527 G528 S534 S535 M804 S807E527-A531 VanDerWaalsContact O-CB 3.25Å; E527-A531 WeakPolarHBondContact O-CB 3.17Å; E527-A531 PolarHBondContact O-N 3.29Å; G528-A531 PolarHBondContact O-N 2.76Å; A531-S534 PolarHBondContact O-OG 3Å; A531-S535 VanDerWaalsContact O-CB 3.23Å; A531-S535 WeakPolarHBondContact O-CB 3.19Å; A531-S535 PolarHBondContact O-N 2.81Å; A531-S535 PolarHBondContact O-OG 3.13Å; A531-M804 HydrophobicContact CB-CG 4.41Å; A531-S807 WeakPolarHBondContact CB-OG 3.3Å
532M87.5Confident85.1Confident0 Ų062.7 Ų62.70%033%0.332CS..Hα-helixtrans-59.1-51.2177.5-167.9-173.1-149.100112.6G528 Y529 N530 S535 L797 G800 M804 I818 I821G528-M532 VanDerWaalsContact O-CB 3.31Å; G528-M532 WeakPolarHBondContact O-CB 3.47Å; G528-M532 PolarHBondContact O-N 3.35Å; Y529-M532 HydrophobicContact CD1-SD 4.06Å; Y529-M532 HydrophobicContact CE1-SD 4.44Å; Y529-M532 PolarHBondContact O-N 3.35Å; N530-M532 VanDerWaalsContact C-N 3.34Å; N530-M532 PolarHBondContact O-N 2.99Å; M532-S535 PolarHBondContact O-OG 3.24Å; M532-L797 HydrophobicContact CE-CB 4.14Å; M532-L797 HydrophobicContact CE-CD2 3.52Å; M532-L797 HydrophobicContact CE-CG 4.41Å; M532-L797 HydrophobicContact SD-CD2 4.2Å; M532-G800 WeakPolarHBondContact CA-O 3.5Å; M532-G800 WeakPolarHBondContact O-CA 3.48Å; M532-M804 HydrophobicContact CB-CG 3.96Å; M532-M804 HydrophobicContact CB-SD 3.99Å; M532-M804 HydrophobicContact CE-SD 4.45Å; M532-M804 HydrophobicContact CG-SD 4.13Å; M532-M804 HydrophobicContact SD-SD 4.31Å; M532-I818 HydrophobicContact CE-CD1 4.31Å; M532-I818 HydrophobicContact CE-CG1 3.46Å; M532-I818 VanDerWaalsContact CE-CG1 3.46Å; M532-I821 HydrophobicContact CE-CD1 4.23Å; M532-I821 HydrophobicContact SD-CD1 4.31Å
533F85.3Confident85.4Confident83 Ų8362.7 Ų62.736%0.36432%0.315SS..Hα-helixtrans-82.1-32.8-178.1-68.3-61.9000113.3F511 Y529 F537F511-F533 HydrophobicContact CE1-CZ 4.39Å; Y529-F533 WeakPolarHBondContact O-CD2 3.4Å; Y529-F533 PolarHBondContact O-N 3.32Å; F533-F537 WeakPolarHBondContact O-CD2 3.45Å; F533-F537 PolarHBondContact O-N 3.22Å
534S82Confident85.5Confident63 Ų6360.1 Ų60.144%0.44130%0.303SS..Hα-helixtrans-66.9-56.3177.163.70000110.6N530 A531 A536 F537 Q538N530-S534 WeakPolarHBondContact O-CA 3.28Å; N530-S534 WeakPolarHBondContact O-CB 3.32Å; N530-S534 PolarHBondContact O-N 2.89Å; N530-S534 PolarHBondContact O-OG 3.33Å; A531-S534 PolarHBondContact O-OG 3Å; S534-A536 PolarHBondContact O-N 2.98Å; S534-A536 VanDerWaalsContact O-N 3.15Å; S534-F537 CarbonylContact O-C 3.54Å; S534-F537 PolarHBondContact O-N 3.33Å; S534-Q538 WeakPolarHBondContact O-CA 3.45Å; S534-Q538 VanDerWaalsContact O-CB 3.23Å; S534-Q538 WeakPolarHBondContact O-CB 3.23Å; S534-Q538 PolarHBondContact O-N 3.1Å
535S81.7Confident85.7Confident17 Ų1758.6 Ų58.612%0.11929%0.294CS..Hα-helixtrans-51.2-42.3-179.458.60000113.3A531 M532 F537 S542 G803A531-S535 VanDerWaalsContact O-CB 3.23Å; A531-S535 WeakPolarHBondContact O-CB 3.19Å; A531-S535 PolarHBondContact O-N 2.81Å; A531-S535 PolarHBondContact O-OG 3.13Å; M532-S535 PolarHBondContact O-OG 3.24Å; S535-F537 VanDerWaalsContact C-N 3.31Å; S535-F537 PolarHBondContact O-N 2.97Å; S535-S542 WeakPolarHBondContact O-CB 3.41Å; S535-S542 PolarHBondContact O-OG 3.14Å; S535-G803 WeakPolarHBondContact OG-CA 3.32Å
536A81.4Confident85.8Confident0 Ų058.5 Ų58.50%029%0.293CS..Hα-helixtrans-60.4-34.4176.400000113.5S534 S542 I546 I796S534-A536 PolarHBondContact O-N 2.98Å; S534-A536 VanDerWaalsContact O-N 3.15Å; A536-S542 VanDerWaalsContact O-CB 3.24Å; A536-S542 WeakPolarHBondContact O-CB 3.43Å; A536-I546 HydrophobicContact CB-CD1 4.11Å; A536-I546 WeakPolarHBondContact O-CD1 3.48Å; A536-I796 HydrophobicContact CB-CG2 4.12Å
537F83.9Confident86Confident115 Ų11554.5 Ų54.550%0.50427%0.273SS..Hα-helixtrans-114.71.1-176-58.9-56.3000114.8F533 S534 S535 S539 I796F533-F537 WeakPolarHBondContact O-CD2 3.45Å; F533-F537 PolarHBondContact O-N 3.22Å; S534-F537 CarbonylContact O-C 3.54Å; S534-F537 PolarHBondContact O-N 3.33Å; S535-F537 VanDerWaalsContact C-N 3.31Å; S535-F537 PolarHBondContact O-N 2.97Å; F537-S539 VanDerWaalsContact C-N 3.29Å; F537-S539 PolarHBondContact O-N 3.46Å; F537-I796 HydrophobicContact CE1-CD1 4.26Å; F537-I796 HydrophobicContact CE1-CG1 4.39Å; F537-I796 HydrophobicContact CZ-CD1 3.9Å; F537-I796 HydrophobicContact CZ-CG1 4.18Å; F537-I796 HydrophobicContact CZ-CG2 4.27Å
538Q80.3Confident86.4Confident154 Ų15448.9 Ų48.972%0.7225%0.247SC*.SBendtrans-65.1-30.3-171-172.4175.613.300113.2S534S534-Q538 WeakPolarHBondContact O-CA 3.45Å; S534-Q538 VanDerWaalsContact O-CB 3.23Å; S534-Q538 WeakPolarHBondContact O-CB 3.23Å; S534-Q538 PolarHBondContact O-N 3.1Å
539S84.3Confident86.5Confident49 Ų4950.3 Ų50.334%0.34326%0.262SS..SBendtrans-145.3160.5-172.877.60000112.5F537 M541 S542 I543F537-S539 VanDerWaalsContact C-N 3.29Å; F537-S539 PolarHBondContact O-N 3.46Å; S539-M541 PolarHBondContact O-N 3.42Å; S539-M541 WeakPolarHBondContact OG-CB 3.07Å; S539-M541 PolarHBondContact OG-N 2.84Å; S539-S542 WeakPolarHBondContact O-CB 3.41Å; S539-S542 PolarHBondContact O-N 2.85Å; S539-S542 PolarHBondContact OG-N 2.69Å; S539-S542 PolarHBondContact OG-OG 3.43Å; S539-I543 PolarHBondContact O-N 3.34Å; S539-I543 VanDerWaalsContact O-N 3.17Å
540K82.7Confident86.7Confident141 Ų14148.9 Ų48.961%0.61326%0.257SS*.Hα-helixtrans-59.7-28.6168.7-67.5-173.8177.3-175.80112.3G544 F681K540-G544 PolarHBondContact O-N 3.38Å; K540-F681 CarbonylContact C-O 3.55Å
541M86.6Confident87Confident93 Ų9343.9 Ų43.946%0.45823%0.23SC..Hα-helixtrans-68.6-45.6176-164.7-179-176.700111S539 I543 G544 E545 F681S539-M541 PolarHBondContact O-N 3.42Å; S539-M541 WeakPolarHBondContact OG-CB 3.07Å; S539-M541 PolarHBondContact OG-N 2.84Å; M541-I543 PolarHBondContact O-N 3.35Å; M541-G544 CarbonylContact O-C 3.6Å; M541-G544 WeakPolarHBondContact O-CA 3.46Å; M541-G544 PolarHBondContact O-N 3.42Å; M541-E545 PolarHBondContact O-N 3.22Å; M541-F681 VanDerWaalsContact CA-O 3.32Å; M541-F681 WeakPolarHBondContact CA-O 3.45Å; M541-F681 PolarHBondContact N-O 3.31Å
542S86.8Confident87.4Confident18 Ų1843.8 Ų43.813%0.12623%0.229CC..Hα-helixtrans-57.5-47.8175.4-480000112S535 A536 S539 G544 E545 I546 L799S535-S542 WeakPolarHBondContact O-CB 3.41Å; S535-S542 PolarHBondContact O-OG 3.14Å; A536-S542 VanDerWaalsContact O-CB 3.24Å; A536-S542 WeakPolarHBondContact O-CB 3.43Å; S539-S542 WeakPolarHBondContact O-CB 3.41Å; S539-S542 PolarHBondContact O-N 2.85Å; S539-S542 PolarHBondContact OG-N 2.69Å; S539-S542 PolarHBondContact OG-OG 3.43Å; S542-G544 PolarHBondContact O-N 3.01Å; S542-E545 PolarHBondContact O-N 3.41Å; S542-I546 WeakPolarHBondContact O-CG1 3.3Å; S542-I546 PolarHBondContact O-N 3.05Å; S542-L799 VanDerWaalsContact O-CD2 3.3Å; S542-L799 WeakPolarHBondContact O-CD2 3.46Å
543I88Confident87.6Confident72 Ų7244.1 Ų44.137%0.36923%0.231SC..Hα-helixtrans-59.9-37.5175.5-63.6169.8000110.4S539 M541 L547 F681S539-I543 PolarHBondContact O-N 3.34Å; S539-I543 VanDerWaalsContact O-N 3.17Å; M541-I543 PolarHBondContact O-N 3.35Å; I543-L547 WeakPolarHBondContact O-CG 3.38Å; I543-L547 PolarHBondContact O-N 3.42Å; I543-F681 HydrophobicContact CG2-CD1 4.19Å; I543-F681 HydrophobicContact CG2-CE1 3.94Å
544G89.7Confident88.1Confident0 Ų040.2 Ų40.20%021%0.214CC..Hα-helixtrans-64-49.8173.500000113.4K540 M541 S542 I546 L547 V548 V686K540-G544 PolarHBondContact O-N 3.38Å; M541-G544 CarbonylContact O-C 3.6Å; M541-G544 WeakPolarHBondContact O-CA 3.46Å; M541-G544 PolarHBondContact O-N 3.42Å; S542-G544 PolarHBondContact O-N 3.01Å; G544-I546 PolarHBondContact O-N 2.94Å; G544-L547 WeakPolarHBondContact O-CA 3.27Å; G544-L547 WeakPolarHBondContact O-CB 3.33Å; G544-L547 PolarHBondContact O-N 3.48Å; G544-V548 WeakPolarHBondContact O-CG2 3.33Å; G544-V548 PolarHBondContact O-N 3.15Å; G544-V686 VanDerWaalsContact C-CG2 3.47Å; G544-V686 VanDerWaalsContact O-CG2 3.3Å; G544-V686 WeakPolarHBondContact O-CG2 3.27Å
545E90Very high88.9Confident27 Ų2737.2 Ų37.213%0.12619%0.193CC..Hα-helixtrans-62.7-30.2179.2-63.3-56.6138.200112.7M541 S542 L547 V548 G549 S684 R685 L799M541-E545 PolarHBondContact O-N 3.22Å; S542-E545 PolarHBondContact O-N 3.41Å; E545-L547 VanDerWaalsContact C-N 3.34Å; E545-L547 PolarHBondContact O-N 3.48Å; E545-V548 WeakPolarHBondContact O-CB 3.47Å; E545-V548 PolarHBondContact O-N 3.49Å; E545-G549 PolarHBondContact O-N 3.49Å; E545-S684 WeakPolarHBondContact OE1-CA 3.45Å; E545-S684 WeakPolarHBondContact OE1-CB 3.3Å; E545-R685 PolarHBondContact OE1-N 3.31Å; E545-R685 IonicContact OE1-NE 3.84Å; E545-R685 IonicContact OE2-CZ 2.78Å; E545-R685 IonicContact OE2-NE 3.9Å; E545-R685 PolarHBondContact OE2-NE 2.9Å; E545-R685 IonicContact OE2-NH2 3.88Å; E545-R685 PolarHBondContact OE2-NH2 3.44Å; E545-L799 HydrophobicContact CB-CD1 4.42Å; E545-L799 HydrophobicContact CB-CD2 4.2Å
546I90.7Very high89.5Confident10 Ų1036.4 Ų36.45%0.05119%0.187CC..Hα-helixtrans-59.9-42.4168.1-72.4160.1000111.6A536 S542 G544 G549 A550 L792 S795 I796 L799A536-I546 HydrophobicContact CB-CD1 4.11Å; A536-I546 WeakPolarHBondContact O-CD1 3.48Å; S542-I546 WeakPolarHBondContact O-CG1 3.3Å; S542-I546 PolarHBondContact O-N 3.05Å; G544-I546 PolarHBondContact O-N 2.94Å; I546-G549 PolarHBondContact O-N 2.82Å; I546-A550 WeakPolarHBondContact O-CB 3.44Å; I546-A550 PolarHBondContact O-N 3.29Å; I546-L792 HydrophobicContact CG2-CD2 3.97Å; I546-S795 VanDerWaalsContact O-CB 3.3Å; I546-S795 WeakPolarHBondContact O-CB 3.44Å; I546-I796 HydrophobicContact CD1-CG1 3.74Å; I546-I796 HydrophobicContact CG1-CG1 4.15Å; I546-I796 HydrophobicContact CG2-CG1 4.02Å; I546-L799 HydrophobicContact CD1-CD2 4.18Å; I546-L799 HydrophobicContact CG1-CB 4.43Å; I546-L799 HydrophobicContact CG1-CD2 3.76Å
547L92.9Very high90.1Very high35 Ų3536.4 Ų36.418%0.18319%0.187CC..Hα-helixtrans-71.1-31.3177.6-62.3178.8000112.5I543 G544 E545 G551 F681 I690 L792I543-L547 WeakPolarHBondContact O-CG 3.38Å; I543-L547 PolarHBondContact O-N 3.42Å; G544-L547 WeakPolarHBondContact O-CA 3.27Å; G544-L547 WeakPolarHBondContact O-CB 3.33Å; G544-L547 PolarHBondContact O-N 3.48Å; E545-L547 VanDerWaalsContact C-N 3.34Å; E545-L547 PolarHBondContact O-N 3.48Å; L547-G551 PolarHBondContact O-N 3.03Å; L547-G551 VanDerWaalsContact O-N 3.16Å; L547-F681 HydrophobicContact CD1-CD1 4.48Å; L547-F681 HydrophobicContact CD1-CE1 3.78Å; L547-F681 HydrophobicContact CD1-CE2 4.15Å; L547-F681 HydrophobicContact CD1-CZ 3.59Å; L547-I690 HydrophobicContact CB-CB 4.46Å; L547-I690 HydrophobicContact CB-CG1 4.1Å; L547-I690 HydrophobicContact CD2-CD1 4.35Å; L547-I690 HydrophobicContact CD2-CG1 4.14Å; L547-L792 HydrophobicContact CD2-CD2 3.87Å
548V91.9Very high90.7Very high7 Ų731 Ų314%0.04216%0.163CC..Hα-helixtrans-64.5-44.6172.5176.60000110.8G544 E545 P552 R685 V686 T756G544-V548 WeakPolarHBondContact O-CG2 3.33Å; G544-V548 PolarHBondContact O-N 3.15Å; E545-V548 WeakPolarHBondContact O-CB 3.47Å; E545-V548 PolarHBondContact O-N 3.49Å; V548-P552 WeakPolarHBondContact O-CD 3.32Å; V548-R685 HydrophobicContact CG1-CB 4.47Å; V548-R685 HydrophobicContact CG2-CB 4Å; V548-R685 WeakPolarHBondContact CG2-O 3.36Å; V548-V686 HydrophobicContact CG2-CB 4.5Å; V548-V686 HydrophobicContact CG2-CG2 4.17Å; V548-T756 HydrophobicContact CG1-CG2 3.98Å
549G89Confident91.4Very high31 Ų3123.6 Ų23.632%0.3213%0.129SC..Hα-helixtrans-65.9-42.2174.200000113.2E545 I546 G551 L553 S795E545-G549 PolarHBondContact O-N 3.49Å; I546-G549 PolarHBondContact O-N 2.82Å; G549-G551 PolarHBondContact O-N 2.91Å; G549-L553 WeakPolarHBondContact O-CG 3.36Å; G549-S795 VanDerWaalsContact C-OG 3.27Å
550A92.5Very high91.8Very high0 Ų021.3 Ų21.30%011%0.113CC..Hα-helixtrans-70.5-32-174.500000113.5I546 L553 I554 I690 A791 L792 S795I546-A550 WeakPolarHBondContact O-CB 3.44Å; I546-A550 PolarHBondContact O-N 3.29Å; A550-L553 PolarHBondContact O-N 2.84Å; A550-I554 HydrophobicContact CB-CD1 4.42Å; A550-I554 WeakPolarHBondContact O-CD1 3.06Å; A550-I554 VanDerWaalsContact O-CG1 3.25Å; A550-I554 WeakPolarHBondContact O-CG1 3.24Å; A550-I554 PolarHBondContact O-N 3.49Å; A550-I690 HydrophobicContact CB-CD1 4.42Å; A550-A791 HydrophobicContact CB-CB 4.24Å; A550-L792 HydrophobicContact CB-CD2 4.01Å; A550-S795 WeakPolarHBondContact CA-OG 3.42Å; A550-S795 PolarHBondContact N-OG 2.7Å
551G93.2Very high92.3Very high1 Ų114.8 Ų14.81%0.019%0.085CC..Hα-helixtrans-53.7-61.2-177.300000114L547 G549 L553 I554 F555L547-G551 PolarHBondContact O-N 3.03Å; L547-G551 VanDerWaalsContact O-N 3.16Å; G549-G551 PolarHBondContact O-N 2.91Å; G551-L553 VanDerWaalsContact C-N 3.33Å; G551-L553 PolarHBondContact O-N 2.99Å; G551-I554 PolarHBondContact O-N 3.35Å; G551-F555 WeakPolarHBondContact O-CD2 3.36Å; G551-F555 PolarHBondContact O-N 3.03Å
552P94Very high92.7Very high3 Ų310.4 Ų10.42%0.0196%0.063CC..Hα-helixtrans-58.9-39.5176.4-24.533.9000113.5V548 I554 F555 T556 V751 Y752 I769V548-P552 WeakPolarHBondContact O-CD 3.32Å; P552-I554 PolarHBondContact O-N 3.4Å; P552-F555 WeakPolarHBondContact O-CB 3.31Å; P552-F555 PolarHBondContact O-N 2.91Å; P552-F555 VanDerWaalsContact O-N 3.14Å; P552-T556 PolarHBondContact O-N 2.93Å; P552-T556 PolarHBondContact O-OG1 3.42Å; P552-V751 HydrophobicContact CG-CB 4.29Å; P552-V751 HydrophobicContact CG-CG1 3.87Å; P552-Y752 HydrophobicContact CB-CD2 4.23Å; P552-Y752 HydrophobicContact CG-CD2 3.99Å; P552-I769 HydrophobicContact CB-CD1 4.36Å
553L93.3Very high93Very high8 Ų89.5 Ų9.54%0.0426%0.057CC..Hα-helixtrans-65.8-36.6-179.1-65.5-177.9000112.9G549 A550 G551 F555 T556 A557 I769 D772 A791 F794G549-L553 WeakPolarHBondContact O-CG 3.36Å; A550-L553 PolarHBondContact O-N 2.84Å; G551-L553 VanDerWaalsContact C-N 3.33Å; G551-L553 PolarHBondContact O-N 2.99Å; L553-F555 VanDerWaalsContact C-N 3.28Å; L553-F555 PolarHBondContact O-N 3.31Å; L553-T556 PolarHBondContact O-OG1 3.33Å; L553-A557 WeakPolarHBondContact O-CB 3.26Å; L553-A557 PolarHBondContact O-N 3.08Å; L553-I769 HydrophobicContact CD2-CB 4.31Å; L553-I769 HydrophobicContact CD2-CG2 4.44Å; L553-D772 HydrophobicContact CD2-CB 3.34Å; L553-A791 HydrophobicContact CB-CB 4.11Å; L553-F794 HydrophobicContact CD1-CB 4.05Å
554I96Very high93Very high0 Ų08.8 Ų8.80%05%0.054CC..Hα-helixtrans-60.6-41172.8-73.4160.6000110.6A550 G551 P552 L558 I690 A693 L697 I787 L788 A791A550-I554 HydrophobicContact CB-CD1 4.42Å; A550-I554 WeakPolarHBondContact O-CD1 3.06Å; A550-I554 VanDerWaalsContact O-CG1 3.25Å; A550-I554 WeakPolarHBondContact O-CG1 3.24Å; A550-I554 PolarHBondContact O-N 3.49Å; G551-I554 PolarHBondContact O-N 3.35Å; P552-I554 PolarHBondContact O-N 3.4Å; I554-L558 HydrophobicContact CG2-CD1 3.94Å; I554-L558 HydrophobicContact CG2-CG 4.44Å; I554-L558 VanDerWaalsContact O-CB 3.32Å; I554-L558 WeakPolarHBondContact O-CB 3.34Å; I554-L558 VanDerWaalsContact O-CG 3.24Å; I554-L558 WeakPolarHBondContact O-CG 3.31Å; I554-L558 PolarHBondContact O-N 3.39Å; I554-I690 HydrophobicContact CD1-CD1 4.05Å; I554-A693 HydrophobicContact CB-CB 4.06Å; I554-A693 HydrophobicContact CD1-CB 4.1Å; I554-A693 HydrophobicContact CG2-CB 3.82Å; I554-L697 HydrophobicContact CD1-CD1 4.05Å; I554-L697 HydrophobicContact CG1-CD1 4.33Å; I554-L697 HydrophobicContact CG2-CD1 3.63Å; I554-L697 HydrophobicContact CG2-CD2 3.82Å; I554-L697 HydrophobicContact CG2-CG 3.5Å; I554-L697 VanDerWaalsContact CG2-CG 3.5Å; I554-I787 HydrophobicContact CG1-CG2 4.42Å; I554-I787 HydrophobicContact CG2-CG2 4.43Å; I554-L788 HydrophobicContact CD1-CD1 3.79Å; I554-A791 HydrophobicContact CD1-CB 4.39Å; I554-A791 HydrophobicContact CG1-CB 3.64Å
555F97Very high93Very high0 Ų010.5 Ų10.50%07%0.066CC..Hα-helixtrans-68-49.9-179.6-87.1-68.1000112.9G551 P552 L553 A557 L558 G559 L692 A693 F696 L744 L747 G748 V751G551-F555 WeakPolarHBondContact O-CD2 3.36Å; G551-F555 PolarHBondContact O-N 3.03Å; P552-F555 WeakPolarHBondContact O-CB 3.31Å; P552-F555 PolarHBondContact O-N 2.91Å; P552-F555 VanDerWaalsContact O-N 3.14Å; L553-F555 VanDerWaalsContact C-N 3.28Å; L553-F555 PolarHBondContact O-N 3.31Å; F555-A557 VanDerWaalsContact C-N 3.33Å; F555-A557 PolarHBondContact O-N 2.92Å; F555-L558 PolarHBondContact O-N 2.92Å; F555-G559 PolarHBondContact O-N 3.31Å; F555-L692 HydrophobicContact CE2-CB 4.45Å; F555-L692 HydrophobicContact CE2-CD2 4.43Å; F555-L692 HydrophobicContact CZ-CB 4.23Å; F555-L692 HydrophobicContact CZ-CD2 3.97Å; F555-L692 HydrophobicContact CZ-CG 3.91Å; F555-A693 HydrophobicContact CD2-CB 4.07Å; F555-A693 HydrophobicContact CE2-CB 3.66Å; F555-A693 HydrophobicContact CZ-CB 4.32Å; F555-F696 HydrophobicContact CE1-CB 3.69Å; F555-F696 HydrophobicContact CE1-CD1 4.05Å; F555-F696 AromaticContact CE1-CD2 3.86Å; F555-F696 HydrophobicContact CE1-CD2 3.86Å; F555-F696 AromaticContact CE1-CG 3.58Å; F555-F696 HydrophobicContact CE1-CG 3.58Å; F555-F696 HydrophobicContact CZ-CB 4.07Å; F555-F696 AromaticContact CZ-CD2 3.95Å; F555-F696 HydrophobicContact CZ-CD2 3.95Å; F555-F696 HydrophobicContact CZ-CG 4.06Å; F555-L744 WeakPolarHBondContact CB-O 3.31Å; F555-L744 HydrophobicContact CD1-CD2 4.24Å; F555-L747 HydrophobicContact CD1-CB 3.65Å; F555-L747 HydrophobicContact CD1-CD1 4.41Å; F555-L747 HydrophobicContact CE1-CB 3.69Å; F555-L747 HydrophobicContact CE1-CD1 3.92Å; F555-L747 HydrophobicContact CE1-CG 4.42Å; F555-L747 HydrophobicContact CG-CB 4.23Å; F555-L747 HydrophobicContact CZ-CB 4.31Å; F555-G748 VanDerWaalsContact CB-CA 3.47Å; F555-V751 HydrophobicContact CD2-CG2 4.11Å; F555-V751 HydrophobicContact CE2-CG2 3.88Å
556T95.1Very high92.9Very high0 Ų09.4 Ų9.40%06%0.062CC..Hα-helixtrans-66.2-35.717750.30000111.9P552 L553 G559 F560 A577 I769 G773P552-T556 PolarHBondContact O-N 2.93Å; P552-T556 PolarHBondContact O-OG1 3.42Å; L553-T556 PolarHBondContact O-OG1 3.33Å; T556-G559 PolarHBondContact O-N 2.79Å; T556-F560 PolarHBondContact O-N 2.84Å; T556-A577 HydrophobicContact CG2-CB 4.47Å; T556-I769 WeakPolarHBondContact CB-O 3.26Å; T556-I769 HydrophobicContact CG2-CG1 4.45Å; T556-I769 PolarHBondContact OG1-O 3.26Å; T556-G773 WeakPolarHBondContact OG1-CA 3.26Å
557A94.1Very high92.5Very high0 Ų010.8 Ų10.80%08%0.078CC..Hα-helixtrans-66.6-42.7173.900000113.5L553 F555 G559 F560 S561 G773 V776 S777 I787L553-A557 WeakPolarHBondContact O-CB 3.26Å; L553-A557 PolarHBondContact O-N 3.08Å; F555-A557 VanDerWaalsContact C-N 3.33Å; F555-A557 PolarHBondContact O-N 2.92Å; A557-G559 VanDerWaalsContact C-N 3.27Å; A557-G559 PolarHBondContact O-N 2.9Å; A557-F560 PolarHBondContact O-N 3.41Å; A557-S561 VanDerWaalsContact O-CB 3.31Å; A557-S561 WeakPolarHBondContact O-CB 3.24Å; A557-S561 PolarHBondContact O-N 3.28Å; A557-G773 VanDerWaalsContact CA-O 3.25Å; A557-G773 WeakPolarHBondContact CA-O 3.42Å; A557-G773 WeakPolarHBondContact CB-O 3.17Å; A557-V776 HydrophobicContact CB-CB 4.09Å; A557-V776 HydrophobicContact CB-CG1 3.57Å; A557-S777 WeakPolarHBondContact O-CB 3.5Å; A557-S777 PolarHBondContact O-OG 3.36Å; A557-I787 HydrophobicContact CB-CD1 4.46Å; A557-I787 HydrophobicContact CB-CG1 4.22Å; A557-I787 HydrophobicContact CB-CG2 3.64Å
558L96.3Very high92.1Very high1 Ų19.4 Ų9.41%0.0057%0.071CC..Hα-helixtrans-61.3-39.1171.4-77.8172.7000111.1I554 F555 S561 V562 F696 L697 V700 L744 I787I554-L558 HydrophobicContact CG2-CD1 3.94Å; I554-L558 HydrophobicContact CG2-CG 4.44Å; I554-L558 VanDerWaalsContact O-CB 3.32Å; I554-L558 WeakPolarHBondContact O-CB 3.34Å; I554-L558 VanDerWaalsContact O-CG 3.24Å; I554-L558 WeakPolarHBondContact O-CG 3.31Å; I554-L558 PolarHBondContact O-N 3.39Å; F555-L558 PolarHBondContact O-N 2.92Å; L558-S561 WeakPolarHBondContact O-CB 3.2Å; L558-S561 PolarHBondContact O-N 2.95Å; L558-V562 WeakPolarHBondContact O-CG2 3.4Å; L558-V562 PolarHBondContact O-N 2.87Å; L558-V562 VanDerWaalsContact O-N 3.13Å; L558-F696 HydrophobicContact CD1-CB 4.36Å; L558-L697 HydrophobicContact CD1-CD2 4.02Å; L558-L697 HydrophobicContact CD1-CG 4.09Å; L558-L697 HydrophobicContact CD2-CD2 4.09Å; L558-L697 HydrophobicContact CG-CD2 4.19Å; L558-V700 HydrophobicContact CD1-CG2 4.3Å; L558-V700 HydrophobicContact CD2-CB 3.93Å; L558-V700 HydrophobicContact CD2-CG1 3.86Å; L558-V700 HydrophobicContact CD2-CG2 4.42Å; L558-L744 HydrophobicContact CB-CD1 4.1Å; L558-L744 HydrophobicContact CB-CD2 4.34Å; L558-I787 HydrophobicContact CD2-CD1 3.89Å; L558-I787 HydrophobicContact CG-CD1 4.37Å
559G94.9Very high91.7Very high0 Ų012.5 Ų12.50%08%0.084CC..Hα-helixtrans-56.6-53.7172.800000112F555 T556 A557 S561 V562 A563 S741F555-G559 PolarHBondContact O-N 3.31Å; T556-G559 PolarHBondContact O-N 2.79Å; A557-G559 VanDerWaalsContact C-N 3.27Å; A557-G559 PolarHBondContact O-N 2.9Å; G559-S561 VanDerWaalsContact C-N 3.32Å; G559-S561 PolarHBondContact O-N 3.03Å; G559-V562 PolarHBondContact O-N 3.36Å; G559-A563 PolarHBondContact O-N 3.18Å; G559-S741 WeakPolarHBondContact O-CB 3.44Å; G559-S741 PolarHBondContact O-OG 3.37Å
560F94.2Very high91.7Very high1 Ų111 Ų110%0.0047%0.069CC..Hα-helixtrans-57.7-44.5175.5-170.1-97.9000112T556 A557 V562 A563 N564 F569 L573 M774 L778T556-F560 PolarHBondContact O-N 2.84Å; A557-F560 PolarHBondContact O-N 3.41Å; F560-V562 VanDerWaalsContact C-N 3.3Å; F560-V562 PolarHBondContact O-N 3.35Å; F560-A563 PolarHBondContact O-N 3.49Å; F560-N564 HydrophobicContact CD1-CB 4.23Å; F560-N564 HydrophobicContact CE1-CB 3.97Å; F560-N564 WeakPolarHBondContact O-CB 3.11Å; F560-N564 PolarHBondContact O-N 2.88Å; F560-F569 HydrophobicContact CE1-CD1 4.33Å; F560-F569 HydrophobicContact CE2-CB 3.96Å; F560-F569 HydrophobicContact CE2-CD1 4.01Å; F560-F569 HydrophobicContact CE2-CG 4.2Å; F560-F569 HydrophobicContact CZ-CB 4.26Å; F560-F569 AromaticContact CZ-CD1 3.44Å; F560-F569 HydrophobicContact CZ-CD1 3.44Å; F560-F569 VanDerWaalsContact CZ-CD1 3.44Å; F560-F569 AromaticContact CZ-CE1 4Å; F560-F569 HydrophobicContact CZ-CE1 4Å; F560-F569 AromaticContact CZ-CG 3.98Å; F560-F569 HydrophobicContact CZ-CG 3.98Å; F560-L573 HydrophobicContact CB-CD1 3.66Å; F560-L573 HydrophobicContact CD2-CD1 3.95Å; F560-L573 HydrophobicContact CG-CD1 4.3Å; F560-M774 HydrophobicContact CD1-CG 4.29Å; F560-M774 HydrophobicContact CD2-CB 4.11Å; F560-M774 HydrophobicContact CD2-CE 4Å; F560-M774 HydrophobicContact CD2-CG 3.71Å; F560-M774 HydrophobicContact CD2-SD 4.39Å; F560-M774 HydrophobicContact CE1-CG 4.11Å; F560-M774 HydrophobicContact CE2-CB 4.39Å; F560-M774 HydrophobicContact CE2-CE 3.72Å; F560-M774 HydrophobicContact CE2-CG 3.51Å; F560-M774 HydrophobicContact CE2-SD 3.8Å; F560-M774 HydrophobicContact CG-CB 4.33Å; F560-M774 HydrophobicContact CG-CG 4.09Å; F560-M774 HydrophobicContact CZ-CG 3.71Å; F560-M774 HydrophobicContact CZ-SD 4.18Å; F560-L778 HydrophobicContact CE1-CD1 4.41Å; F560-L778 HydrophobicContact CE1-CD2 3.76Å; F560-L778 HydrophobicContact CE1-CG 3.88Å; F560-L778 HydrophobicContact CZ-CD2 4.41Å
561S92.9Very high91.4Very high4 Ų411.9 Ų11.93%0.0287%0.074CC..Hα-helixtrans-59.5-35.9-177.9-174.50000113.7A557 L558 G559 S565 G782A557-S561 VanDerWaalsContact O-CB 3.31Å; A557-S561 WeakPolarHBondContact O-CB 3.24Å; A557-S561 PolarHBondContact O-N 3.28Å; L558-S561 WeakPolarHBondContact O-CB 3.2Å; L558-S561 PolarHBondContact O-N 2.95Å; G559-S561 VanDerWaalsContact C-N 3.32Å; G559-S561 PolarHBondContact O-N 3.03Å; S561-S565 WeakPolarHBondContact O-CB 3.21Å; S561-S565 PolarHBondContact O-N 3.23Å; S561-S565 PolarHBondContact O-OG 3.46Å; S561-G782 VanDerWaalsContact OG-C 3.31Å; S561-G782 WeakPolarHBondContact OG-CA 3.33Å; S561-G782 PolarHBondContact OG-O 3Å
562V94.7Very high91.2Very high0 Ų012 Ų120%07%0.074CC..Hα-helixtrans-72.3-42.7177.6174.10000110.9L558 G559 F560 S565 A566 V700 M704 I740 L744L558-V562 WeakPolarHBondContact O-CG2 3.4Å; L558-V562 PolarHBondContact O-N 2.87Å; L558-V562 VanDerWaalsContact O-N 3.13Å; G559-V562 PolarHBondContact O-N 3.36Å; F560-V562 VanDerWaalsContact C-N 3.3Å; F560-V562 PolarHBondContact O-N 3.35Å; V562-S565 PolarHBondContact O-N 3.46Å; V562-A566 PolarHBondContact O-N 3Å; V562-V700 HydrophobicContact CG2-CG1 3.86Å; V562-M704 HydrophobicContact CG1-SD 4.46Å; V562-M704 HydrophobicContact CG2-CG 4.4Å; V562-M704 HydrophobicContact CG2-SD 4.18Å; V562-I740 HydrophobicContact CB-CG2 4.41Å; V562-I740 HydrophobicContact CG1-CB 4.15Å; V562-I740 HydrophobicContact CG1-CG2 3.92Å; V562-I740 HydrophobicContact CG2-CG2 4.15Å; V562-L744 HydrophobicContact CG2-CD1 4.09Å
563A92.1Very high91.2Very high0 Ų011.8 Ų11.80%07%0.073CC..Hα-helixtrans-61.4-49.1174.400000111.8G559 F560 S565 A566 G567 F568 N570G559-A563 PolarHBondContact O-N 3.18Å; F560-A563 PolarHBondContact O-N 3.49Å; A563-S565 VanDerWaalsContact C-N 3.3Å; A563-S565 PolarHBondContact O-N 3.03Å; A563-A566 CarbonylContact O-C 3.56Å; A563-A566 WeakPolarHBondContact O-CA 3.25Å; A563-A566 WeakPolarHBondContact O-CB 3.23Å; A563-A566 PolarHBondContact O-N 3.34Å; A563-G567 PolarHBondContact O-N 3.26Å; A563-F568 CarbonylContact C-O 3.52Å; A563-F568 HydrophobicContact CB-CD2 3.74Å; A563-F568 HydrophobicContact CB-CE2 3.48Å; A563-F568 VanDerWaalsContact CB-CE2 3.48Å; A563-F568 HydrophobicContact CB-CZ 4.14Å; A563-F568 PolarHBondContact O-N 3.38Å; A563-F568 VanDerWaalsContact O-O 3.06Å; A563-N570 HydrophobicContact CB-CB 3.75Å
564N89.5Confident91.1Very high57 Ų5711.4 Ų11.431%0.3057%0.071SC..Hα-helixtrans-59.9-39.9178-174.527.6000111.9F560 A566 G567 F568F560-N564 HydrophobicContact CD1-CB 4.23Å; F560-N564 HydrophobicContact CE1-CB 3.97Å; F560-N564 WeakPolarHBondContact O-CB 3.11Å; F560-N564 PolarHBondContact O-N 2.88Å; N564-A566 PolarHBondContact O-N 3.32Å; N564-A566 VanDerWaalsContact O-N 3.15Å; N564-G567 PolarHBondContact O-N 3.46Å; N564-F568 VanDerWaalsContact CA-O 3.26Å; N564-F568 WeakPolarHBondContact CA-O 3.49Å; N564-F568 PolarHBondContact N-O 3.38Å; N564-F568 VanDerWaalsContact N-O 3.12Å
565S88.4Confident91Very high36 Ų3611.4 Ų11.425%0.2527%0.071SC..Hα-helixtrans-63.2-18.9175-61.20000113.9S561 V562 A563 I713S561-S565 WeakPolarHBondContact O-CB 3.21Å; S561-S565 PolarHBondContact O-N 3.23Å; S561-S565 PolarHBondContact O-OG 3.46Å; V562-S565 PolarHBondContact O-N 3.46Å; A563-S565 VanDerWaalsContact C-N 3.3Å; A563-S565 PolarHBondContact O-N 3.03Å; S565-I713 VanDerWaalsContact O-O 3.06Å
566A88Confident90.9Very high4 Ų411.6 Ų11.63%0.0337%0.072CC..THydrogen-bonded Turntrans-97.88.5175.700000113.3V562 A563 N564 F568 I713 S737V562-A566 PolarHBondContact O-N 3Å; A563-A566 CarbonylContact O-C 3.56Å; A563-A566 WeakPolarHBondContact O-CA 3.25Å; A563-A566 WeakPolarHBondContact O-CB 3.23Å; A563-A566 PolarHBondContact O-N 3.34Å; N564-A566 PolarHBondContact O-N 3.32Å; N564-A566 VanDerWaalsContact O-N 3.15Å; A566-F568 HydrophobicContact CB-CD1 3.77Å; A566-F568 HydrophobicContact CB-CE1 3.4Å; A566-F568 VanDerWaalsContact CB-CE1 3.4Å; A566-F568 HydrophobicContact CB-CZ 4.29Å; A566-I713 HydrophobicContact CB-CG2 3.97Å; A566-S737 WeakPolarHBondContact CB-OG 3.35Å
567G82.2Confident91Very high39 Ų3911.6 Ų11.640%0.4027%0.073SC..THydrogen-bonded Turntrans75.341.6178.900000114A563 N564 R622A563-G567 PolarHBondContact O-N 3.26Å; N564-G567 PolarHBondContact O-N 3.46Å; G567-R622 PolarHBondContact O-NH2 3.38Å; G567-R622 VanDerWaalsContact O-NH2 3.09Å
568F84Confident91Very high5 Ų511.6 Ų11.62%0.0227%0.073CC..  trans-158.1160.7171.561.3-92.3000114.4A563 N564 A566 R622 E629 I734 M738A563-F568 CarbonylContact C-O 3.52Å; A563-F568 HydrophobicContact CB-CD2 3.74Å; A563-F568 HydrophobicContact CB-CE2 3.48Å; A563-F568 VanDerWaalsContact CB-CE2 3.48Å; A563-F568 HydrophobicContact CB-CZ 4.14Å; A563-F568 PolarHBondContact O-N 3.38Å; A563-F568 VanDerWaalsContact O-O 3.06Å; N564-F568 VanDerWaalsContact CA-O 3.26Å; N564-F568 WeakPolarHBondContact CA-O 3.49Å; N564-F568 PolarHBondContact N-O 3.38Å; N564-F568 VanDerWaalsContact N-O 3.12Å; A566-F568 HydrophobicContact CB-CD1 3.77Å; A566-F568 HydrophobicContact CB-CE1 3.4Å; A566-F568 VanDerWaalsContact CB-CE1 3.4Å; A566-F568 HydrophobicContact CB-CZ 4.29Å; F568-R622 VanDerWaalsContact CD1-NH1 3.32Å; F568-E629 HydrophobicContact CB-CG 4.17Å; F568-E629 VanDerWaalsContact CB-OE1 3.25Å; F568-E629 WeakPolarHBondContact CB-OE1 3.48Å; F568-E629 HydrophobicContact CD2-CG 4.49Å; F568-I734 HydrophobicContact CE1-CB 4.37Å; F568-I734 HydrophobicContact CE1-CG1 4.34Å; F568-I734 HydrophobicContact CE1-CG2 4.07Å; F568-I734 HydrophobicContact CZ-CG2 4.42Å; F568-M738 HydrophobicContact CD2-CE 3.9Å; F568-M738 HydrophobicContact CE2-CB 4.18Å; F568-M738 HydrophobicContact CE2-CE 3.46Å; F568-M738 VanDerWaalsContact CE2-CE 3.46Å; F568-M738 HydrophobicContact CE2-SD 3.73Å; F568-M738 HydrophobicContact CZ-CB 4.01Å; F568-M738 HydrophobicContact CZ-CE 4.36Å
569F83.9Confident91Very high73 Ų7312.9 Ų12.932%0.328%0.081SC..  trans-105.9114.1177-60.4-28.2000111.3F560 V571 E629 I949F560-F569 HydrophobicContact CE1-CD1 4.33Å; F560-F569 HydrophobicContact CE2-CB 3.96Å; F560-F569 HydrophobicContact CE2-CD1 4.01Å; F560-F569 HydrophobicContact CE2-CG 4.2Å; F560-F569 HydrophobicContact CZ-CB 4.26Å; F560-F569 AromaticContact CZ-CD1 3.44Å; F560-F569 HydrophobicContact CZ-CD1 3.44Å; F560-F569 VanDerWaalsContact CZ-CD1 3.44Å; F560-F569 AromaticContact CZ-CE1 4Å; F560-F569 HydrophobicContact CZ-CE1 4Å; F560-F569 AromaticContact CZ-CG 3.98Å; F560-F569 HydrophobicContact CZ-CG 3.98Å; F569-V571 PolarHBondContact O-N 3Å; F569-E629 VanDerWaalsContact O-CG 3.31Å; F569-E629 WeakPolarHBondContact O-CG 3.38Å; F569-I949 HydrophobicContact CE2-CD1 3.6Å; F569-I949 HydrophobicContact CZ-CD1 4.08Å
570N88.8Confident91Very high0 Ų012.9 Ų12.90%08%0.081CC..  trans-82.399.5168.3-178.313.7000109.2A563 G572 L573 Q576 M738 S741A563-N570 HydrophobicContact CB-CB 3.75Å; N570-G572 VanDerWaalsContact C-N 3.27Å; N570-G572 WeakPolarHBondContact OD1-CA 3.16Å; N570-G572 PolarHBondContact OD1-N 3.04Å; N570-L573 HydrophobicContact CB-CG 4.5Å; N570-L573 WeakPolarHBondContact ND2-CD2 3.38Å; N570-L573 VanDerWaalsContact O-CD1 3.3Å; N570-L573 WeakPolarHBondContact O-CD1 3.3Å; N570-L573 WeakPolarHBondContact O-CG 3.46Å; N570-Q576 PolarHBondContact ND2-NE2 2.97Å; N570-Q576 PolarHBondContact ND2-OE1 2.9Å; N570-Q576 PolarHBondContact OD1-NE2 3.34Å; N570-M738 HydrophobicContact CB-SD 3.92Å; N570-S741 PolarHBondContact ND2-OG 3.47Å
571V86.8Confident91.1Very high18 Ų1813 Ų1311%0.1098%0.081CC..  trans-83.9-8.3173.7-165.50000111.1F569 L573 V630 T633 I634 N637 F771 M774F569-V571 PolarHBondContact O-N 3Å; V571-L573 PolarHBondContact O-N 3.3Å; V571-V630 HydrophobicContact CG2-CG1 4.26Å; V571-V630 HydrophobicContact CG2-CG2 4.33Å; V571-T633 PolarHBondContact N-OG1 3.23Å; V571-I634 HydrophobicContact CB-CG1 4.28Å; V571-I634 HydrophobicContact CG1-CD1 4.47Å; V571-I634 HydrophobicContact CG1-CG1 3.89Å; V571-N637 PolarHBondContact O-ND2 2.98Å; V571-F771 HydrophobicContact CG1-CE1 3.87Å; V571-M774 HydrophobicContact CB-CE 4.31Å; V571-M774 HydrophobicContact CG1-CE 4.16Å; V571-M774 HydrophobicContact CG2-CE 4.14Å
572G89.5Confident91.2Very high2 Ų213.2 Ų13.22%0.0218%0.083CC..THydrogen-bonded Turntrans-79.85.4-176.300000115N570 S574 G575 Q576 T633 N637N570-G572 VanDerWaalsContact C-N 3.27Å; N570-G572 WeakPolarHBondContact OD1-CA 3.16Å; N570-G572 PolarHBondContact OD1-N 3.04Å; G572-S574 PolarHBondContact O-N 3.44Å; G572-G575 PolarHBondContact O-N 3.37Å; G572-Q576 WeakPolarHBondContact O-CB 3.31Å; G572-Q576 WeakPolarHBondContact O-CG 3.49Å; G572-Q576 PolarHBondContact O-N 2.94Å; G572-Q576 PolarHBondContact O-NE2 3.12Å; G572-T633 VanDerWaalsContact N-CB 3.35Å; G572-N637 WeakPolarHBondContact CA-OD1 3.3Å; G572-N637 PolarHBondContact O-OD1 2.9Å
573L93.7Very high91.2Very high0 Ų014.2 Ų14.20%09%0.091CC..Hα-helixtrans-59.5-31.1-175.1-64.1164.3000112.3F560 N570 V571 A577 A745F560-L573 HydrophobicContact CB-CD1 3.66Å; F560-L573 HydrophobicContact CD2-CD1 3.95Å; F560-L573 HydrophobicContact CG-CD1 4.3Å; N570-L573 HydrophobicContact CB-CG 4.5Å; N570-L573 WeakPolarHBondContact ND2-CD2 3.38Å; N570-L573 VanDerWaalsContact O-CD1 3.3Å; N570-L573 WeakPolarHBondContact O-CD1 3.3Å; N570-L573 WeakPolarHBondContact O-CG 3.46Å; V571-L573 PolarHBondContact O-N 3.3Å; L573-A577 VanDerWaalsContact O-CB 3.23Å; L573-A577 WeakPolarHBondContact O-CB 3.18Å; L573-A577 PolarHBondContact O-N 3.24Å; L573-A745 HydrophobicContact CB-CB 4.42Å; L573-A745 HydrophobicContact CD2-CB 3.77Å
574S92Very high91.4Very high0 Ų014.2 Ų14.20%09%0.091CC..Hα-helixtrans-66-53176.3-57.90000111.8G572 A577 L578 S766 V767 G770G572-S574 PolarHBondContact O-N 3.44Å; S574-A577 PolarHBondContact O-N 3.28Å; S574-L578 PolarHBondContact O-N 3.47Å; S574-S766 WeakPolarHBondContact CB-OG 3.35Å; S574-V767 WeakPolarHBondContact CB-O 3.37Å; S574-V767 WeakPolarHBondContact O-CG2 3.24Å; S574-V767 PolarHBondContact OG-O 2.94Å; S574-G770 WeakPolarHBondContact OG-CA 3.04Å
575G92.7Very high91.7Very high0 Ų011.5 Ų11.50%08%0.077CC..Hα-helixtrans-63.2-42.3174.900000112.4G572 A577 L578 C579 N637 I640G572-G575 PolarHBondContact O-N 3.37Å; G575-A577 VanDerWaalsContact C-N 3.3Å; G575-A577 PolarHBondContact O-N 3.33Å; G575-L578 WeakPolarHBondContact O-CA 3.28Å; G575-L578 WeakPolarHBondContact O-CB 3.27Å; G575-L578 PolarHBondContact O-N 3.47Å; G575-C579 PolarHBondContact O-N 3.13Å; G575-N637 WeakPolarHBondContact CA-OD1 3.46Å; G575-N637 PolarHBondContact N-OD1 2.89Å; G575-I640 WeakPolarHBondContact O-CG2 3.43Å
576Q96Very high91.9Very high3 Ų314.1 Ų14.11%0.0148%0.081CC..Hα-helixtrans-63.4-35.1178.2-66.615423.800112.3N570 G572 G580 G611 A614 A615 A745 G746N570-Q576 PolarHBondContact ND2-NE2 2.97Å; N570-Q576 PolarHBondContact ND2-OE1 2.9Å; N570-Q576 PolarHBondContact OD1-NE2 3.34Å; G572-Q576 WeakPolarHBondContact O-CB 3.31Å; G572-Q576 WeakPolarHBondContact O-CG 3.49Å; G572-Q576 PolarHBondContact O-N 2.94Å; G572-Q576 PolarHBondContact O-NE2 3.12Å; Q576-G580 PolarHBondContact O-N 2.78Å; Q576-G611 WeakPolarHBondContact O-CA 3.32Å; Q576-A614 HydrophobicContact CG-CB 4.04Å; Q576-A615 HydrophobicContact CG-CB 4.09Å; Q576-A745 HydrophobicContact CB-CB 3.68Å; Q576-G746 WeakPolarHBondContact O-CA 3.37Å
577A96.1Very high92.2Very high1 Ų115.9 Ų15.91%0.0089%0.091CC..Hα-helixtrans-70.2-38.1169.900000112.4T556 L573 S574 G575 C579 G580 W581 A745 G749 V767 I769T556-A577 HydrophobicContact CG2-CB 4.47Å; L573-A577 VanDerWaalsContact O-CB 3.23Å; L573-A577 WeakPolarHBondContact O-CB 3.18Å; L573-A577 PolarHBondContact O-N 3.24Å; S574-A577 PolarHBondContact O-N 3.28Å; G575-A577 VanDerWaalsContact C-N 3.3Å; G575-A577 PolarHBondContact O-N 3.33Å; A577-C579 PolarHBondContact O-N 2.96Å; A577-G580 WeakPolarHBondContact O-CA 3.32Å; A577-G580 PolarHBondContact O-N 2.96Å; A577-G580 VanDerWaalsContact O-N 3.09Å; A577-W581 PolarHBondContact O-N 3.41Å; A577-A745 WeakPolarHBondContact CA-O 3.44Å; A577-A745 WeakPolarHBondContact CB-O 3.26Å; A577-G749 VanDerWaalsContact O-CA 3.27Å; A577-G749 WeakPolarHBondContact O-CA 3.45Å; A577-V767 HydrophobicContact CB-CG2 4.45Å; A577-I769 HydrophobicContact CB-CD1 4.02Å; A577-I769 HydrophobicContact CB-CG1 4.41Å
578L95Very high92.8Very high0 Ų014.2 Ų14.20%07%0.074CC..Hα-helixtrans-61.6-42.6175.1-165.866000111.8S574 G575 G580 W581 V582 I640 L641 A644 Y760 Q763 V767S574-L578 PolarHBondContact O-N 3.47Å; G575-L578 WeakPolarHBondContact O-CA 3.28Å; G575-L578 WeakPolarHBondContact O-CB 3.27Å; G575-L578 PolarHBondContact O-N 3.47Å; L578-G580 VanDerWaalsContact C-N 3.3Å; L578-G580 PolarHBondContact O-N 2.83Å; L578-W581 HydrophobicContact CD1-CE3 3.95Å; L578-W581 HydrophobicContact CD1-CZ3 4.45Å; L578-W581 PolarHBondContact O-N 3.22Å; L578-V582 WeakPolarHBondContact O-CG2 3.33Å; L578-V582 PolarHBondContact O-N 3.03Å; L578-I640 HydrophobicContact CB-CG2 4.32Å; L578-I640 HydrophobicContact CD2-CG2 4.36Å; L578-L641 HydrophobicContact CD2-CB 4.38Å; L578-L641 HydrophobicContact CD2-CD1 3.86Å; L578-A644 HydrophobicContact CD2-CB 3.92Å; L578-A644 HydrophobicContact CG-CB 4.18Å; L578-Y760 HydrophobicContact CD1-CE2 3.75Å; L578-Q763 HydrophobicContact CD1-CG 4.02Å; L578-V767 HydrophobicContact CB-CG2 4.41Å; L578-V767 HydrophobicContact CD1-CG1 4.09Å
579C95.6Very high93.2Very high28 Ų2814.9 Ų14.919%0.1898%0.078CC..Hα-helixtrans-55.6-44.1169.8-710000112.1G575 A577 A583 A610 A614 I640G575-C579 PolarHBondContact O-N 3.13Å; A577-C579 PolarHBondContact O-N 2.96Å; C579-A583 VanDerWaalsContact O-CB 3.27Å; C579-A583 WeakPolarHBondContact O-CB 3.33Å; C579-A583 PolarHBondContact O-N 2.92Å; C579-A610 HydrophobicContact CB-CB 4.02Å; C579-A614 HydrophobicContact CB-CB 4.48Å; C579-I640 WeakPolarHBondContact SG-CG2 3.27Å
580G95.6Very high93.5Very high0 Ų014.8 Ų14.80%09%0.086CC..Hα-helixtrans-64-39177.700000113.7Q576 A577 L578 S584 G607Q576-G580 PolarHBondContact O-N 2.78Å; A577-G580 WeakPolarHBondContact O-CA 3.32Å; A577-G580 PolarHBondContact O-N 2.96Å; A577-G580 VanDerWaalsContact O-N 3.09Å; L578-G580 VanDerWaalsContact C-N 3.3Å; L578-G580 PolarHBondContact O-N 2.83Å; G580-S584 VanDerWaalsContact O-CB 3.32Å; G580-S584 WeakPolarHBondContact O-CB 3.23Å; G580-S584 PolarHBondContact O-N 2.86Å; G580-S584 PolarHBondContact O-OG 2.95Å; G580-G607 WeakPolarHBondContact CA-O 3.33Å
581W96.1Very high93.6Very high2 Ų217.4 Ų17.41%0.00810%0.099CC..Hα-helixtrans-64.7-56.2175.2-173.70.8000111A577 L578 A583 S584 I585 Y752 F757 N759 Y760 F761 Q763 V767A577-W581 PolarHBondContact O-N 3.41Å; L578-W581 HydrophobicContact CD1-CE3 3.95Å; L578-W581 HydrophobicContact CD1-CZ3 4.45Å; L578-W581 PolarHBondContact O-N 3.22Å; W581-A583 PolarHBondContact O-N 3.44Å; W581-S584 PolarHBondContact O-N 2.89Å; W581-S584 PolarHBondContact O-OG 3.48Å; W581-S584 VanDerWaalsContact O-OG 3.11Å; W581-I585 WeakPolarHBondContact O-CG1 3.36Å; W581-I585 PolarHBondContact O-N 3.08Å; W581-Y752 HydrophobicContact CD2-CD1 4.08Å; W581-Y752 AromaticContact CE3-CD1 3.67Å; W581-Y752 HydrophobicContact CE3-CD1 3.67Å; W581-Y752 HydrophobicContact CE3-CE1 4.13Å; W581-Y752 AromaticContact CH2-CD1 3.97Å; W581-Y752 HydrophobicContact CH2-CD1 3.97Å; W581-Y752 AromaticContact CH2-CE1 3.92Å; W581-Y752 HydrophobicContact CH2-CE1 3.92Å; W581-Y752 HydrophobicContact CZ2-CD1 4.34Å; W581-Y752 AromaticContact CZ3-CD1 3.62Å; W581-Y752 HydrophobicContact CZ3-CD1 3.62Å; W581-Y752 AromaticContact CZ3-CE1 3.62Å; W581-Y752 HydrophobicContact CZ3-CE1 3.62Å; W581-F757 HydrophobicContact CH2-CD2 4.34Å; W581-F757 HydrophobicContact CH2-CG 4.47Å; W581-F757 HydrophobicContact CZ2-CB 4.07Å; W581-F757 HydrophobicContact CZ2-CD2 4.12Å; W581-F757 HydrophobicContact CZ2-CG 4.03Å; W581-N759 PolarHBondContact NE1-O 3.49Å; W581-Y760 AromaticContact CD2-CD2 3.79Å; W581-Y760 HydrophobicContact CD2-CD2 3.79Å; W581-Y760 HydrophobicContact CD2-CE2 4.25Å; W581-Y760 AromaticContact CE2-CD2 3.83Å; W581-Y760 HydrophobicContact CE3-CD2 4.27Å; W581-Y760 HydrophobicContact CE3-CE2 4.29Å; W581-Y760 AromaticContact CG-CD2 3.97Å; W581-Y760 HydrophobicContact CG-CD2 3.97Å; W581-Y760 HydrophobicContact CZ2-CD2 4.36Å; W581-Y760 AromaticContact NE1-CD2 3.94Å; W581-F761 HydrophobicContact CH2-CD1 4.25Å; W581-F761 AromaticContact CH2-CE1 3.64Å; W581-F761 HydrophobicContact CH2-CE1 3.64Å; W581-F761 AromaticContact CH2-CZ 3.93Å; W581-F761 HydrophobicContact CH2-CZ 3.93Å; W581-F761 HydrophobicContact CZ2-CD1 4.11Å; W581-F761 AromaticContact CZ2-CE1 3.74Å; W581-F761 HydrophobicContact CZ2-CE1 3.74Å; W581-F761 HydrophobicContact CZ2-CZ 4.48Å; W581-Q763 HydrophobicContact CZ3-CG 4.36Å; W581-V767 HydrophobicContact CE3-CG1 4.23Å; W581-V767 HydrophobicContact CZ3-CG1 3.9Å
582V94.6Very high93.5Very high10 Ų1020.8 Ų20.86%0.06112%0.121CC..Hα-helixtrans-59.1-49.1-178.3176.10000111.8L578 S584 I585 W586 A644 I647 M652 Y760L578-V582 WeakPolarHBondContact O-CG2 3.33Å; L578-V582 PolarHBondContact O-N 3.03Å; V582-S584 PolarHBondContact O-N 3.48Å; V582-I585 PolarHBondContact O-N 3.44Å; V582-W586 WeakPolarHBondContact O-CB 3.29Å; V582-W586 PolarHBondContact O-N 3.41Å; V582-A644 HydrophobicContact CG2-CB 3.92Å; V582-I647 HydrophobicContact CG1-CG2 4.46Å; V582-M652 HydrophobicContact CG1-CE 3.69Å; V582-Y760 HydrophobicContact CG2-CD2 3.67Å; V582-Y760 HydrophobicContact CG2-CE2 3.39Å; V582-Y760 HydrophobicContact CG2-CG 4.36Å
583A95.7Very high93.3Very high21 Ų2128 Ų2817%0.17416%0.159CC..Hα-helixtrans-66.3-35.2-176.100000113.1C579 W581 V587 A610C579-A583 VanDerWaalsContact O-CB 3.27Å; C579-A583 WeakPolarHBondContact O-CB 3.33Å; C579-A583 PolarHBondContact O-N 2.92Å; W581-A583 PolarHBondContact O-N 3.44Å; A583-V587 WeakPolarHBondContact O-CG2 3.49Å; A583-V587 PolarHBondContact O-N 3.35Å; A583-A610 HydrophobicContact CB-CB 3.64Å
584S96.5Very high93.2Very high0 Ų029.4 Ų29.40%017%0.169CC..Hα-helixtrans-75.1-37177.859.60000112.9G580 W581 V582 A588 A603G580-S584 VanDerWaalsContact O-CB 3.32Å; G580-S584 WeakPolarHBondContact O-CB 3.23Å; G580-S584 PolarHBondContact O-N 2.86Å; G580-S584 PolarHBondContact O-OG 2.95Å; W581-S584 PolarHBondContact O-N 2.89Å; W581-S584 PolarHBondContact O-OG 3.48Å; W581-S584 VanDerWaalsContact O-OG 3.11Å; V582-S584 PolarHBondContact O-N 3.48Å; S584-A588 VanDerWaalsContact O-CB 3.25Å; S584-A588 WeakPolarHBondContact O-CB 3.43Å; S584-A588 PolarHBondContact O-N 3.16Å; S584-A588 VanDerWaalsContact O-N 3.08Å; S584-A603 VanDerWaalsContact CB-O 3.3Å; S584-A603 WeakPolarHBondContact CB-O 3.48Å
585I94.4Very high93.1Very high0 Ų032.1 Ų32.10%019%0.186CC..Hα-helixtrans-63.8-44.4171.3-67-66.5000110.9W581 V582 A588 L589 T663 V666 L754W581-I585 WeakPolarHBondContact O-CG1 3.36Å; W581-I585 PolarHBondContact O-N 3.08Å; V582-I585 PolarHBondContact O-N 3.44Å; I585-A588 PolarHBondContact O-N 3.48Å; I585-L589 HydrophobicContact CG2-CD1 3.7Å; I585-L589 HydrophobicContact CG2-CG 4.29Å; I585-L589 WeakPolarHBondContact O-CG 3.41Å; I585-L589 PolarHBondContact O-N 3.14Å; I585-T663 HydrophobicContact CG2-CG2 4.48Å; I585-V666 HydrophobicContact CD1-CG2 3.76Å; I585-L754 HydrophobicContact CD1-CD2 4.03Å
586W93.9Very high93Very high90 Ų9034.5 Ų34.534%0.34120%0.197SC..Hα-helixtrans-59.4-51.9179.7-163.8-9.4000111.6V582 A588 L589 S590 I647 V651 M652V582-W586 WeakPolarHBondContact O-CB 3.29Å; V582-W586 PolarHBondContact O-N 3.41Å; W586-A588 VanDerWaalsContact C-N 3.29Å; W586-A588 PolarHBondContact O-N 2.84Å; W586-L589 PolarHBondContact O-N 2.72Å; W586-S590 WeakPolarHBondContact O-CB 3.28Å; W586-S590 PolarHBondContact O-N 3.13Å; W586-S590 PolarHBondContact O-OG 2.92Å; W586-I647 HydrophobicContact CE3-CG2 4.18Å; W586-I647 HydrophobicContact CH2-CG2 4.22Å; W586-I647 HydrophobicContact CZ3-CG2 3.7Å; W586-V651 HydrophobicContact CH2-CG1 4.15Å; W586-M652 HydrophobicContact CB-CE 3.83Å; W586-M652 HydrophobicContact CD2-CE 3.9Å; W586-M652 HydrophobicContact CD2-CG 4.36Å; W586-M652 HydrophobicContact CE3-CE 3.96Å; W586-M652 HydrophobicContact CG-CE 3.87Å
587V93.7Very high92.8Very high41 Ų4142.1 Ų42.125%0.24823%0.23CC..Hα-helixtrans-61.9-37.2178171.90000112.1A583 M591 L602 A603 A606A583-V587 WeakPolarHBondContact O-CG2 3.49Å; A583-V587 PolarHBondContact O-N 3.35Å; V587-M591 HydrophobicContact CG1-SD 4.41Å; V587-M591 PolarHBondContact O-N 3.3Å; V587-L602 HydrophobicContact CG1-CB 4.05Å; V587-A603 HydrophobicContact CB-CB 4.18Å; V587-A603 HydrophobicContact CG1-CB 4.03Å; V587-A606 HydrophobicContact CB-CB 4.49Å; V587-A606 HydrophobicContact CG2-CB 3.71Å
588A93.8Very high92.6Very high4 Ų444.6 Ų44.63%0.03325%0.245CC..Hα-helixtrans-65.5-38.7176.700000113.2S584 I585 W586 V666 A670 L754S584-A588 VanDerWaalsContact O-CB 3.25Å; S584-A588 WeakPolarHBondContact O-CB 3.43Å; S584-A588 PolarHBondContact O-N 3.16Å; S584-A588 VanDerWaalsContact O-N 3.08Å; I585-A588 PolarHBondContact O-N 3.48Å; W586-A588 VanDerWaalsContact C-N 3.29Å; W586-A588 PolarHBondContact O-N 2.84Å; A588-V666 HydrophobicContact CB-CG1 3.75Å; A588-V666 HydrophobicContact CB-CG2 3.9Å; A588-A670 HydrophobicContact CB-CB 3.63Å; A588-L754 HydrophobicContact CB-CD2 3.89Å
589L92.5Very high92.6Very high20 Ų2044.6 Ų44.611%0.10525%0.245CC..Hα-helixtrans-83.7-24.8-179.9-64.8176.6000113.6I585 W586 M591 I656 T663 K664 V666I585-L589 HydrophobicContact CG2-CD1 3.7Å; I585-L589 HydrophobicContact CG2-CG 4.29Å; I585-L589 WeakPolarHBondContact O-CG 3.41Å; I585-L589 PolarHBondContact O-N 3.14Å; W586-L589 PolarHBondContact O-N 2.72Å; L589-M591 PolarHBondContact O-N 2.77Å; L589-I656 HydrophobicContact CB-CB 3.86Å; L589-I656 HydrophobicContact CB-CD1 4.34Å; L589-I656 HydrophobicContact CB-CG2 3.73Å; L589-I656 HydrophobicContact CD1-CB 4.15Å; L589-T663 HydrophobicContact CD1-CG2 4.47Å; L589-K664 WeakPolarHBondContact CD1-O 3.23Å; L589-K664 HydrophobicContact CD2-CB 4.37Å; L589-V666 HydrophobicContact CD2-CB 4.44Å; L589-V666 HydrophobicContact CD2-CG2 3.71Å; L589-V666 HydrophobicContact CG-CG2 3.88Å
590S90.9Very high92.4Very high71 Ų7144.3 Ų44.350%0.49724%0.242SC..SBendtrans-77.1-5.6171.3-65.10000114W586W586-S590 WeakPolarHBondContact O-CB 3.28Å; W586-S590 PolarHBondContact O-N 3.13Å; W586-S590 PolarHBondContact O-OG 2.92Å
591M89.8Confident92.4Very high55 Ų5547.2 Ų47.227%0.27126%0.26SS..  trans-135.550.2-178.4-61.7-174.868.900113V587 L589 D593 S594 V598 V599 L602V587-M591 HydrophobicContact CG1-SD 4.41Å; V587-M591 PolarHBondContact O-N 3.3Å; L589-M591 PolarHBondContact O-N 2.77Å; M591-D593 PolarHBondContact O-N 3.2Å; M591-S594 WeakPolarHBondContact CE-OG 3.4Å; M591-S594 WeakPolarHBondContact O-CB 3.23Å; M591-S594 PolarHBondContact O-N 2.89Å; M591-S594 VanDerWaalsContact O-N 3.12Å; M591-V598 HydrophobicContact CE-CG1 4.2Å; M591-V599 HydrophobicContact CB-CB 4.46Å; M591-V599 HydrophobicContact CB-CG2 3.89Å; M591-L602 HydrophobicContact CE-CD1 3.92Å; M591-L602 HydrophobicContact SD-CD1 3.94Å
592P84.6Confident92.4Very high89 Ų8950.9 Ų50.958%0.57828%0.28SS*.THydrogen-bonded Turntrans-63.9-41.7-166.726.6-34.6000113.7S594P592-S594 VanDerWaalsContact C-N 3.27Å; P592-S594 PolarHBondContact O-N 3.26Å
593D86.8Confident92.5Very high154 Ų15450.4 Ų50.482%0.82428%0.277SS*.THydrogen-bonded Turntrans-80.2-4.6179.5-57.6-66.6000113.7M591M591-D593 PolarHBondContact O-N 3.2Å
594S90.6Very high92.5Very high29 Ų2951.1 Ų51.120%0.20328%0.277CS..SBendtrans-71.8139.8-177.5-72.60000111.7M591 P592M591-S594 WeakPolarHBondContact CE-OG 3.4Å; M591-S594 WeakPolarHBondContact O-CB 3.23Å; M591-S594 PolarHBondContact O-N 2.89Å; M591-S594 VanDerWaalsContact O-N 3.12Å; P592-S594 VanDerWaalsContact C-N 3.27Å; P592-S594 PolarHBondContact O-N 3.26Å
595P91Very high92.5Very high56 Ų5655.6 Ų55.636%0.36430%0.301SS..  trans-68.2148.4-177.729.1-35.6000111.1F597 V598 V599P595-F597 HydrophobicContact CB-CD1 3.93Å; P595-F597 HydrophobicContact CB-CE1 3.54Å; P595-F597 HydrophobicContact CB-CZ 4.03Å; P595-F597 HydrophobicContact CG-CD1 4.35Å; P595-F597 HydrophobicContact CG-CE1 3.77Å; P595-F597 HydrophobicContact CG-CE2 4.26Å; P595-F597 HydrophobicContact CG-CZ 3.7Å; P595-F597 PolarHBondContact O-N 3.48Å; P595-V598 HydrophobicContact CG-CB 4.37Å; P595-V598 HydrophobicContact CG-CG2 3.99Å; P595-V598 PolarHBondContact O-N 3.5Å; P595-V599 PolarHBondContact O-N 2.99Å
596K90.9Very high92.6Very high51 Ų5156.9 Ų56.922%0.22231%0.311CS..Hα-helixtrans-50.4-36.6-173.6-176150.3-160.6174.90114.9V598 L600 P601 L668 N669 S671 R673 E674K596-V598 PolarHBondContact O-N 3.35Å; K596-L600 HydrophobicContact CG-CB 4.47Å; K596-L600 HydrophobicContact CG-CD2 4.34Å; K596-L600 WeakPolarHBondContact O-CB 3.36Å; K596-L600 PolarHBondContact O-N 3.33Å; K596-P601 WeakPolarHBondContact O-CD 3.11Å; K596-L668 PolarHBondContact NZ-O 3.15Å; K596-N669 WeakPolarHBondContact CA-O 3.25Å; K596-N669 WeakPolarHBondContact CB-O 3.25Å; K596-N669 WeakPolarHBondContact CD-O 3.17Å; K596-N669 WeakPolarHBondContact CG-O 3.49Å; K596-S671 WeakPolarHBondContact CE-O 3.3Å; K596-S671 PolarHBondContact NZ-O 3.44Å; K596-R673 PolarHBondContact NZ-O 2.94Å; K596-E674 WeakPolarHBondContact CE-OE1 3.33Å; K596-E674 IonicContact NZ-OE1 3.58Å; K596-E674 PolarHBondContact NZ-OE1 2.66Å
597F90.1Very high92.8Very high163 Ų16352.6 Ų52.672%0.71530%0.295SS*.Hα-helixtrans-72.5-6.9178.966.8-97000114.7P595P595-F597 HydrophobicContact CB-CD1 3.93Å; P595-F597 HydrophobicContact CB-CE1 3.54Å; P595-F597 HydrophobicContact CB-CZ 4.03Å; P595-F597 HydrophobicContact CG-CD1 4.35Å; P595-F597 HydrophobicContact CG-CE1 3.77Å; P595-F597 HydrophobicContact CG-CE2 4.26Å; P595-F597 HydrophobicContact CG-CZ 3.7Å; P595-F597 PolarHBondContact O-N 3.48Å
598V92.5Very high93Very high52 Ų5251.3 Ų51.332%0.31529%0.288SS..Hα-helixtrans-106.3-57.6173.4177.50000110.6M591 P595 K596 P601 L602M591-V598 HydrophobicContact CE-CG1 4.2Å; P595-V598 HydrophobicContact CG-CB 4.37Å; P595-V598 HydrophobicContact CG-CG2 3.99Å; P595-V598 PolarHBondContact O-N 3.5Å; K596-V598 PolarHBondContact O-N 3.35Å; V598-P601 WeakPolarHBondContact O-CD 3.35Å; V598-L602 HydrophobicContact CG1-CD1 3.81Å; V598-L602 VanDerWaalsContact O-CG 3.3Å; V598-L602 WeakPolarHBondContact O-CG 3.1Å; V598-L602 PolarHBondContact O-N 2.9Å
599V94.4Very high93.2Very high1 Ų156.5 Ų56.51%0.00632%0.315CS..Hα-helixtrans-68.1-40.7-171.261.90000113.1M591 P595 L602 A603 A670M591-V599 HydrophobicContact CB-CB 4.46Å; M591-V599 HydrophobicContact CB-CG2 3.89Å; P595-V599 PolarHBondContact O-N 2.99Å; V599-L602 PolarHBondContact O-N 2.84Å; V599-A603 WeakPolarHBondContact O-CB 3.44Å; V599-A603 PolarHBondContact O-N 3.48Å; V599-A670 HydrophobicContact CG1-CB 3.84Å; V599-A670 HydrophobicContact CG2-CB 3.84Å
600L92.9Very high93.4Very high22 Ų2256.8 Ų56.812%0.11532%0.32CS..Hα-helixtrans-68.2-46.2-177.2178.762000112.4K596 L602 A603 I604 L672 L754K596-L600 HydrophobicContact CG-CB 4.47Å; K596-L600 HydrophobicContact CG-CD2 4.34Å; K596-L600 WeakPolarHBondContact O-CB 3.36Å; K596-L600 PolarHBondContact O-N 3.33Å; L600-L602 PolarHBondContact O-N 2.9Å; L600-A603 PolarHBondContact O-N 3.1Å; L600-I604 HydrophobicContact CD1-CD1 3.88Å; L600-I604 HydrophobicContact CD1-CG1 4.13Å; L600-I604 HydrophobicContact CG-CD1 3.85Å; L600-I604 WeakPolarHBondContact O-CB 3.49Å; L600-I604 WeakPolarHBondContact O-CD1 3.35Å; L600-I604 VanDerWaalsContact O-CG1 3.22Å; L600-I604 WeakPolarHBondContact O-CG1 3.43Å; L600-I604 PolarHBondContact O-N 3.31Å; L600-L672 HydrophobicContact CD1-CD2 3.94Å; L600-L672 HydrophobicContact CD1-CG 4.12Å; L600-L672 HydrophobicContact CD2-CD2 4.31Å; L600-L754 HydrophobicContact CD1-CD1 3.85Å
601P94.6Very high93.7Very high60 Ų6053.4 Ų53.439%0.3930%0.297SS..Hα-helixtrans-58.3-41.8171.1-28.237.2000113.7K596 V598 I604 I605K596-P601 WeakPolarHBondContact O-CD 3.11Å; V598-P601 WeakPolarHBondContact O-CD 3.35Å; P601-I604 PolarHBondContact O-N 2.93Å; P601-I605 WeakPolarHBondContact O-CB 3.39Å; P601-I605 WeakPolarHBondContact O-CD1 3.5Å; P601-I605 VanDerWaalsContact O-CG1 3.23Å; P601-I605 WeakPolarHBondContact O-CG1 3.27Å; P601-I605 PolarHBondContact O-N 3.39Å
602L96Very high94Very high79 Ų7951.3 Ų51.341%0.41429%0.288SS..Hα-helixtrans-63.3-44.7177.9-72.3172.5000112V587 M591 V598 V599 L600 I605 A606V587-L602 HydrophobicContact CG1-CB 4.05Å; M591-L602 HydrophobicContact CE-CD1 3.92Å; M591-L602 HydrophobicContact SD-CD1 3.94Å; V598-L602 HydrophobicContact CG1-CD1 3.81Å; V598-L602 VanDerWaalsContact O-CG 3.3Å; V598-L602 WeakPolarHBondContact O-CG 3.1Å; V598-L602 PolarHBondContact O-N 2.9Å; V599-L602 PolarHBondContact O-N 2.84Å; L600-L602 PolarHBondContact O-N 2.9Å; L602-I605 PolarHBondContact O-N 3.13Å; L602-A606 WeakPolarHBondContact O-CB 3.36Å; L602-A606 PolarHBondContact O-N 2.63Å
603A95.9Very high94.6Very high0 Ų049.9 Ų49.90%028%0.283CS..Hα-helixtrans-67.2-36.8178.300000112.7S584 V587 V599 L600 G607 L754S584-A603 VanDerWaalsContact CB-O 3.3Å; S584-A603 WeakPolarHBondContact CB-O 3.48Å; V587-A603 HydrophobicContact CB-CB 4.18Å; V587-A603 HydrophobicContact CG1-CB 4.03Å; V599-A603 WeakPolarHBondContact O-CB 3.44Å; V599-A603 PolarHBondContact O-N 3.48Å; L600-A603 PolarHBondContact O-N 3.1Å; A603-G607 PolarHBondContact O-N 3.39Å; A603-L754 HydrophobicContact CB-CD1 3.77Å
604I96.1Very high95Very high36 Ų3643 Ų4319%0.18525%0.248CC..Hα-helixtrans-62.6-46.6172.1-68.9163.7000110.8L600 P601 A608 L672 L747 V750L600-I604 HydrophobicContact CD1-CD1 3.88Å; L600-I604 HydrophobicContact CD1-CG1 4.13Å; L600-I604 HydrophobicContact CG-CD1 3.85Å; L600-I604 WeakPolarHBondContact O-CB 3.49Å; L600-I604 WeakPolarHBondContact O-CD1 3.35Å; L600-I604 VanDerWaalsContact O-CG1 3.22Å; L600-I604 WeakPolarHBondContact O-CG1 3.43Å; L600-I604 PolarHBondContact O-N 3.31Å; P601-I604 PolarHBondContact O-N 2.93Å; I604-A608 VanDerWaalsContact O-CB 3.3Å; I604-A608 WeakPolarHBondContact O-CB 3.45Å; I604-A608 PolarHBondContact O-N 3.36Å; I604-L672 HydrophobicContact CD1-CD2 4.3Å; I604-L747 HydrophobicContact CG2-CD2 3.71Å; I604-V750 HydrophobicContact CG1-CG1 3.93Å
605I96.9Very high95.3Very high95 Ų9541.6 Ų41.649%0.48724%0.238SC..Hα-helixtrans-64-44178.4-70.9165000110.6P601 L602 A608 L609P601-I605 WeakPolarHBondContact O-CB 3.39Å; P601-I605 WeakPolarHBondContact O-CD1 3.5Å; P601-I605 VanDerWaalsContact O-CG1 3.23Å; P601-I605 WeakPolarHBondContact O-CG1 3.27Å; P601-I605 PolarHBondContact O-N 3.39Å; L602-I605 PolarHBondContact O-N 3.13Å; I605-A608 PolarHBondContact O-N 3.29Å; I605-L609 HydrophobicContact CG2-CD1 3.71Å; I605-L609 HydrophobicContact CG2-CG 4.26Å; I605-L609 WeakPolarHBondContact O-CB 3.38Å; I605-L609 VanDerWaalsContact O-CG 3.27Å; I605-L609 WeakPolarHBondContact O-CG 3.47Å; I605-L609 PolarHBondContact O-N 3.41Å
606A97.3Very high95.5Very high26 Ų2639.9 Ų39.922%0.21523%0.229CC..Hα-helixtrans-61.2-46.8178.600000112.2V587 L602 L609 A610V587-A606 HydrophobicContact CB-CB 4.49Å; V587-A606 HydrophobicContact CG2-CB 3.71Å; L602-A606 WeakPolarHBondContact O-CB 3.36Å; L602-A606 PolarHBondContact O-N 2.63Å; A606-L609 PolarHBondContact O-N 3.27Å; A606-A610 WeakPolarHBondContact O-CB 3.42Å; A606-A610 PolarHBondContact O-N 3.21Å
607G97.2Very high95.6Very high0 Ų041.5 Ų41.50%024%0.239CC..Hα-helixtrans-66.5-37.1177.200000113.6G580 A603 A610 G611G580-G607 WeakPolarHBondContact CA-O 3.33Å; A603-G607 PolarHBondContact O-N 3.39Å; G607-A610 PolarHBondContact O-N 3.32Å; G607-G611 PolarHBondContact O-N 3.09Å; G607-G611 VanDerWaalsContact O-N 3.14Å
608A97.5Very high95.6Very high14 Ų1433.9 Ų33.912%0.11621%0.206CC..Hα-helixtrans-63.7-44.2173.200000112.1I604 I605 A612 T743 L747I604-A608 VanDerWaalsContact O-CB 3.3Å; I604-A608 WeakPolarHBondContact O-CB 3.45Å; I604-A608 PolarHBondContact O-N 3.36Å; I605-A608 PolarHBondContact O-N 3.29Å; A608-A612 VanDerWaalsContact O-CB 3.28Å; A608-A612 WeakPolarHBondContact O-CB 3.27Å; A608-A612 PolarHBondContact O-N 3.44Å; A608-T743 HydrophobicContact CB-CG2 4.12Å; A608-L747 HydrophobicContact CB-CD2 3.94Å; A608-L747 HydrophobicContact CB-CG 3.97Å
609L97.9Very high95.6Very high114 Ų11431.4 Ų31.460%0.59719%0.191SC*.Hα-helixtrans-68.2-36.9177.2-72.1173.6000112.6I605 A606 A612 A613I605-L609 HydrophobicContact CG2-CD1 3.71Å; I605-L609 HydrophobicContact CG2-CG 4.26Å; I605-L609 WeakPolarHBondContact O-CB 3.38Å; I605-L609 VanDerWaalsContact O-CG 3.27Å; I605-L609 WeakPolarHBondContact O-CG 3.47Å; I605-L609 PolarHBondContact O-N 3.41Å; A606-L609 PolarHBondContact O-N 3.27Å; L609-A612 PolarHBondContact O-N 2.94Å; L609-A613 WeakPolarHBondContact O-CB 3.24Å; L609-A613 PolarHBondContact O-N 3.32Å
610A97.4Very high95.5Very high26 Ų2635 Ų3522%0.21521%0.21CC..Hα-helixtrans-64.3-46.5177.200000111.7C579 A583 A606 G607 A613 A614C579-A610 HydrophobicContact CB-CB 4.02Å; A583-A610 HydrophobicContact CB-CB 3.64Å; A606-A610 WeakPolarHBondContact O-CB 3.42Å; A606-A610 PolarHBondContact O-N 3.21Å; G607-A610 PolarHBondContact O-N 3.32Å; A610-A613 PolarHBondContact O-N 2.93Å; A610-A614 WeakPolarHBondContact O-CB 3.37Å; A610-A614 PolarHBondContact O-N 3.48Å
611G96.8Very high95.4Very high0 Ų036.8 Ų36.80%022%0.219CC..Hα-helixtrans-63.5-39.817300000112.8Q576 G607 A614 A615 G742Q576-G611 WeakPolarHBondContact O-CA 3.32Å; G607-G611 PolarHBondContact O-N 3.09Å; G607-G611 VanDerWaalsContact O-N 3.14Å; G611-A614 PolarHBondContact O-N 3.41Å; G611-A615 WeakPolarHBondContact O-CB 3.49Å; G611-A615 PolarHBondContact O-N 2.98Å; G611-G742 CarbonylContact C-O 3.58Å; G611-G742 WeakPolarHBondContact CA-O 3.38Å; G611-G742 CarbonylContact O-C 3.58Å; G611-G742 WeakPolarHBondContact O-CA 3.25Å
612A97.5Very high95Very high10 Ų1036.6 Ų36.68%0.08321%0.21CC..Hα-helixtrans-62.1-43.8175.600000112.9A608 L609 A615 A616 I739 T743A608-A612 VanDerWaalsContact O-CB 3.28Å; A608-A612 WeakPolarHBondContact O-CB 3.27Å; A608-A612 PolarHBondContact O-N 3.44Å; L609-A612 PolarHBondContact O-N 2.94Å; A612-A615 PolarHBondContact O-N 3.28Å; A612-A616 WeakPolarHBondContact O-CB 3.25Å; A612-A616 PolarHBondContact O-N 3.38Å; A612-I739 HydrophobicContact CB-CG2 4.32Å; A612-T743 WeakPolarHBondContact CB-OG1 3.37Å
613A96.6Very high94.6Very high59 Ų5933 Ų3349%0.48819%0.193SC..Hα-helixtrans-67.1-43.3177.500000112L609 A610 A615 A616L609-A613 WeakPolarHBondContact O-CB 3.24Å; L609-A613 PolarHBondContact O-N 3.32Å; A610-A613 PolarHBondContact O-N 2.93Å; A613-A615 VanDerWaalsContact C-N 3.25Å; A613-A615 PolarHBondContact O-N 3.45Å; A613-A616 WeakPolarHBondContact O-CB 3.04Å; A613-A616 PolarHBondContact O-N 2.89Å; A613-A616 VanDerWaalsContact O-N 3.17Å
614A95.6Very high94.1Very high10 Ų1039 Ų398%0.08322%0.219CC..Hα-helixtrans-59.9-34.9175.100000112.5Q576 C579 A610 G611 P618 M636 I640Q576-A614 HydrophobicContact CG-CB 4.04Å; C579-A614 HydrophobicContact CB-CB 4.48Å; A610-A614 WeakPolarHBondContact O-CB 3.37Å; A610-A614 PolarHBondContact O-N 3.48Å; G611-A614 PolarHBondContact O-N 3.41Å; A614-P618 VanDerWaalsContact O-CD 3.23Å; A614-P618 WeakPolarHBondContact O-CD 3.34Å; A614-M636 VanDerWaalsContact O-CE 3.27Å; A614-M636 WeakPolarHBondContact O-CE 3.47Å; A614-I640 HydrophobicContact CB-CD1 3.99Å
615A95.5Very high93.6Very high0 Ų045 Ų450%024%0.243CC..Hα-helixtrans-83-25.9175.400000113.6Q576 G611 A612 A613 I617 P618 G619 M738 G742Q576-A615 HydrophobicContact CG-CB 4.09Å; G611-A615 WeakPolarHBondContact O-CB 3.49Å; G611-A615 PolarHBondContact O-N 2.98Å; A612-A615 PolarHBondContact O-N 3.28Å; A613-A615 VanDerWaalsContact C-N 3.25Å; A613-A615 PolarHBondContact O-N 3.45Å; A615-I617 PolarHBondContact O-N 3.47Å; A615-P618 WeakPolarHBondContact O-CD 3.43Å; A615-P618 VanDerWaalsContact O-CG 3.32Å; A615-P618 WeakPolarHBondContact O-CG 3.28Å; A615-G619 PolarHBondContact O-N 3.38Å; A615-M738 HydrophobicContact CB-CG 3.95Å; A615-M738 WeakPolarHBondContact CB-O 3.12Å; A615-M738 HydrophobicContact CB-SD 4.44Å; A615-M738 WeakPolarHBondContact O-CG 3.38Å; A615-G742 VanDerWaalsContact CB-CA 3.48Å
616A95Very high92.6Very high19 Ų1943.5 Ų43.516%0.15725%0.252CS..Hα-helixtrans-58.5-37.3176.400000112.2A612 A613 G619 L620 I739A612-A616 WeakPolarHBondContact O-CB 3.25Å; A612-A616 PolarHBondContact O-N 3.38Å; A613-A616 WeakPolarHBondContact O-CB 3.04Å; A613-A616 PolarHBondContact O-N 2.89Å; A613-A616 VanDerWaalsContact O-N 3.17Å; A616-G619 PolarHBondContact O-N 2.87Å; A616-L620 WeakPolarHBondContact O-CB 3.37Å; A616-L620 WeakPolarHBondContact O-CD1 3.49Å; A616-L620 WeakPolarHBondContact O-CG 3.25Å; A616-L620 PolarHBondContact O-N 2.85Å; A616-I739 HydrophobicContact CB-CD1 4.29Å; A616-I739 HydrophobicContact CB-CG1 3.93Å
617I93.6Very high91.7Very high86 Ų8644.8 Ų44.844%0.44126%0.257SS..Hα-helixtrans-57.7-60.4179.8-64164.9000112.5A615 G619 L620 L621 M636A615-I617 PolarHBondContact O-N 3.47Å; I617-G619 VanDerWaalsContact C-N 3.27Å; I617-G619 PolarHBondContact O-N 3.33Å; I617-L620 PolarHBondContact O-N 3.12Å; I617-L621 HydrophobicContact CG2-CD1 4.01Å; I617-L621 WeakPolarHBondContact O-CG 3.2Å; I617-L621 PolarHBondContact O-N 2.94Å; I617-M636 HydrophobicContact CB-CE 4.01Å; I617-M636 HydrophobicContact CB-SD 4.16Å; I617-M636 HydrophobicContact CD1-CE 3.97Å; I617-M636 HydrophobicContact CG2-CE 4.12Å; I617-M636 HydrophobicContact CG2-SD 3.78Å
618P91.4Very high90.9Very high2 Ų247.2 Ų47.21%0.01327%0.274CS..Hα-helixtrans-65.5-30.6177.825.5-34.1000112.4A614 A615 L621 R622 V632 T633 M636 M738A614-P618 VanDerWaalsContact O-CD 3.23Å; A614-P618 WeakPolarHBondContact O-CD 3.34Å; A615-P618 WeakPolarHBondContact O-CD 3.43Å; A615-P618 VanDerWaalsContact O-CG 3.32Å; A615-P618 WeakPolarHBondContact O-CG 3.28Å; P618-L621 PolarHBondContact O-N 3.14Å; P618-R622 WeakPolarHBondContact O-CB 3.39Å; P618-R622 PolarHBondContact O-N 3.46Å; P618-V632 HydrophobicContact CB-CB 4.47Å; P618-V632 HydrophobicContact CB-CG1 3.87Å; P618-T633 HydrophobicContact CB-CG2 3.77Å; P618-T633 HydrophobicContact CG-CG2 3.82Å; P618-M636 HydrophobicContact CG-SD 4.29Å; P618-M738 HydrophobicContact CB-CE 4.24Å; P618-M738 HydrophobicContact CG-CE 4.27Å; P618-M738 HydrophobicContact CG-CG 4.48Å
619G91.5Very high90.1Very high0 Ų047.9 Ų47.90%028%0.275CS..Hα-helixtrans-61.7-44173.800000112.7A615 A616 I617 A623A615-G619 PolarHBondContact O-N 3.38Å; A616-G619 PolarHBondContact O-N 2.87Å; I617-G619 VanDerWaalsContact C-N 3.27Å; I617-G619 PolarHBondContact O-N 3.33Å; G619-A623 WeakPolarHBondContact O-CB 3.32Å; G619-A623 PolarHBondContact O-N 2.9Å
620L93.1Very high89.3Confident78 Ų7844.8 Ų44.841%0.40826%0.261SS..Hα-helixtrans-68.9-45.3175.6-71.1164.5000111.5A616 I617 R622 A623 F624 V735A616-L620 WeakPolarHBondContact O-CB 3.37Å; A616-L620 WeakPolarHBondContact O-CD1 3.49Å; A616-L620 WeakPolarHBondContact O-CG 3.25Å; A616-L620 PolarHBondContact O-N 2.85Å; I617-L620 PolarHBondContact O-N 3.12Å; L620-R622 PolarHBondContact O-N 2.98Å; L620-A623 PolarHBondContact O-N 3.19Å; L620-F624 HydrophobicContact CD2-CD2 4.12Å; L620-F624 HydrophobicContact CD2-CE2 3.83Å; L620-F624 WeakPolarHBondContact O-CB 3.36Å; L620-F624 WeakPolarHBondContact O-CD2 3.38Å; L620-F624 PolarHBondContact O-N 3.39Å; L620-V735 HydrophobicContact CD2-CG1 4.2Å; L620-V735 HydrophobicContact CD2-CG2 3.94Å; L620-V735 HydrophobicContact CG-CG2 4.39Å
621L90.4Very high88.4Confident58 Ų5848.9 Ų48.930%0.30428%0.278SS..Hα-helixtrans-58.1-48.1178.6-72.5169.9000111.6I617 P618 F625 G626 V632I617-L621 HydrophobicContact CG2-CD1 4.01Å; I617-L621 WeakPolarHBondContact O-CG 3.2Å; I617-L621 PolarHBondContact O-N 2.94Å; P618-L621 PolarHBondContact O-N 3.14Å; L621-F625 HydrophobicContact CD2-CD2 4.1Å; L621-F625 HydrophobicContact CD2-CE2 4.39Å; L621-F625 WeakPolarHBondContact O-CA 3.11Å; L621-F625 WeakPolarHBondContact O-CB 3.44Å; L621-F625 PolarHBondContact O-N 3.32Å; L621-G626 PolarHBondContact O-N 3.48Å; L621-V632 HydrophobicContact CD1-CG1 3.89Å
622R86.6Confident87.9Confident56 Ų5650 Ų5021%0.21128%0.284CS..Hα-helixtrans-62.7-46.2174.7-175.6168.8-172.5-100.16.5112.7G567 F568 P618 L620 F624 G626 E629 I734G567-R622 PolarHBondContact O-NH2 3.38Å; G567-R622 VanDerWaalsContact O-NH2 3.09Å; F568-R622 VanDerWaalsContact CD1-NH1 3.32Å; P618-R622 WeakPolarHBondContact O-CB 3.39Å; P618-R622 PolarHBondContact O-N 3.46Å; L620-R622 PolarHBondContact O-N 2.98Å; R622-F624 PolarHBondContact O-N 3.47Å; R622-G626 WeakPolarHBondContact O-CA 3.43Å; R622-G626 PolarHBondContact O-N 3.13Å; R622-G626 VanDerWaalsContact O-N 3.09Å; R622-E629 WeakPolarHBondContact CD-OE2 3.4Å; R622-E629 IonicContact CZ-OE2 2.75Å; R622-E629 IonicContact NE-OE1 3.5Å; R622-E629 IonicContact NE-OE2 2.97Å; R622-E629 PolarHBondContact NE-OE2 3.17Å; R622-E629 IonicContact NH2-OE1 3.77Å; R622-E629 IonicContact NH2-OE2 2.58Å; R622-I734 HydrophobicContact CG-CG2 4.42Å
623A86.3Confident87.4Confident5 Ų549.6 Ų49.64%0.04128%0.281CS..Hα-helixtrans-68.3-30.9-176.200000114G619 L620 K731 I734 V735G619-A623 WeakPolarHBondContact O-CB 3.32Å; G619-A623 PolarHBondContact O-N 2.9Å; L620-A623 PolarHBondContact O-N 3.19Å; A623-K731 HydrophobicContact CB-CB 4.13Å; A623-K731 WeakPolarHBondContact O-CD 3.22Å; A623-K731 WeakPolarHBondContact O-CE 3.32Å; A623-K731 WeakPolarHBondContact O-CG 3.43Å; A623-K731 PolarHBondContact O-NZ 3.16Å; A623-K731 VanDerWaalsContact O-NZ 3.11Å; A623-I734 HydrophobicContact CB-CG2 4.39Å; A623-V735 HydrophobicContact CB-CG2 3.66Å
624F86.7Confident86.9Confident126 Ų12649.8 Ų49.855%0.55327%0.273SS*.Hα-helixtrans-103.7-33-176.6-72.4-79.7000114.4L620 R622L620-F624 HydrophobicContact CD2-CD2 4.12Å; L620-F624 HydrophobicContact CD2-CE2 3.83Å; L620-F624 WeakPolarHBondContact O-CB 3.36Å; L620-F624 WeakPolarHBondContact O-CD2 3.38Å; L620-F624 PolarHBondContact O-N 3.39Å; R622-F624 PolarHBondContact O-N 3.47Å
625F84.5Confident86.6Confident160 Ų16054.4 Ų54.470%0.70229%0.294SS*.Hα-helixtrans-117.4-2.2-174.5-55.4-93.4000114L621 T627L621-F625 HydrophobicContact CD2-CD2 4.1Å; L621-F625 HydrophobicContact CD2-CE2 4.39Å; L621-F625 WeakPolarHBondContact O-CA 3.11Å; L621-F625 WeakPolarHBondContact O-CB 3.44Å; L621-F625 PolarHBondContact O-N 3.32Å; F625-T627 PolarHBondContact O-N 3.16Å
626G75.3Confident86.3Confident64 Ų6455.8 Ų55.866%0.6630%0.301SS*.  trans69.414179.600000114.6L621 R622L621-G626 PolarHBondContact O-N 3.48Å; R622-G626 WeakPolarHBondContact O-CA 3.43Å; R622-G626 PolarHBondContact O-N 3.13Å; R622-G626 VanDerWaalsContact O-N 3.09Å
627T78.8Confident86.1Confident54 Ų5455.1 Ų55.133%0.33130%0.295SS..  trans-63.8138.3-176.8-35.50000111.6F625 E629 V632F625-T627 PolarHBondContact O-N 3.16Å; T627-E629 PolarHBondContact O-N 3.32Å; T627-V632 HydrophobicContact CG2-CG2 3.48Å; T627-V632 VanDerWaalsContact CG2-CG2 3.48Å
628S80.7Confident85.9Confident51 Ų5156.8 Ų56.836%0.35730%0.296SS..  trans-57.6116.1174.81740000111.1V630 I631 V632S628-V630 PolarHBondContact O-N 2.92Å; S628-I631 PolarHBondContact O-N 3.35Å; S628-V632 WeakPolarHBondContact O-CG2 3.3Å; S628-V632 PolarHBondContact O-N 3.46Å
629E81.5Confident85.9Confident27 Ų2760.8 Ų60.813%0.12632%0.321CS..Hα-helixtrans-62.8-31.4178.865.6-76.9-16900112.2F568 F569 R622 T627 T633 M738F568-E629 HydrophobicContact CB-CG 4.17Å; F568-E629 VanDerWaalsContact CB-OE1 3.25Å; F568-E629 WeakPolarHBondContact CB-OE1 3.48Å; F568-E629 HydrophobicContact CD2-CG 4.49Å; F569-E629 VanDerWaalsContact O-CG 3.31Å; F569-E629 WeakPolarHBondContact O-CG 3.38Å; R622-E629 WeakPolarHBondContact CD-OE2 3.4Å; R622-E629 IonicContact CZ-OE2 2.75Å; R622-E629 IonicContact NE-OE1 3.5Å; R622-E629 IonicContact NE-OE2 2.97Å; R622-E629 PolarHBondContact NE-OE2 3.17Å; R622-E629 IonicContact NH2-OE1 3.77Å; R622-E629 IonicContact NH2-OE2 2.58Å; T627-E629 PolarHBondContact O-N 3.32Å; E629-T633 VanDerWaalsContact O-CB 3.22Å; E629-T633 WeakPolarHBondContact O-CB 3.47Å; E629-T633 VanDerWaalsContact O-CG2 3.25Å; E629-T633 WeakPolarHBondContact O-CG2 3.3Å; E629-T633 PolarHBondContact O-N 3.25Å; E629-T633 PolarHBondContact O-OG1 3.09Å; E629-M738 HydrophobicContact CB-CE 4.27Å
630V80.6Confident86.1Confident50 Ų5061.7 Ų61.730%0.30333%0.325SS..Hα-helixtrans-64.6-50.9-178.7176.60000109.9V571 S628 T633 I634V571-V630 HydrophobicContact CG2-CG1 4.26Å; V571-V630 HydrophobicContact CG2-CG2 4.33Å; S628-V630 PolarHBondContact O-N 2.92Å; V630-T633 PolarHBondContact O-N 3.09Å; V630-T633 PolarHBondContact O-OG1 3.45Å; V630-I634 HydrophobicContact CG1-CD1 3.73Å; V630-I634 WeakPolarHBondContact O-CB 3.49Å; V630-I634 WeakPolarHBondContact O-CD1 3.36Å; V630-I634 WeakPolarHBondContact O-CG1 3.46Å; V630-I634 PolarHBondContact O-N 3.24Å
631I78.5Confident86Confident112 Ų11258 Ų5857%0.57431%0.306SS*.Hα-helixtrans-63.4-48.9179.7-59.4175.2000110.3S628 T633 I634 M635S628-I631 PolarHBondContact O-N 3.35Å; I631-T633 PolarHBondContact O-N 3.47Å; I631-I634 PolarHBondContact O-N 3.28Å; I631-M635 VanDerWaalsContact O-CG 3.32Å; I631-M635 WeakPolarHBondContact O-CG 3.22Å; I631-M635 PolarHBondContact O-N 3.05Å
632V85.8Confident86Confident23 Ų2362.3 Ų62.314%0.13932%0.319CS..Hα-helixtrans-62.8-43.2-178.8178.60000111.2P618 L621 T627 S628 M635 M636P618-V632 HydrophobicContact CB-CB 4.47Å; P618-V632 HydrophobicContact CB-CG1 3.87Å; L621-V632 HydrophobicContact CD1-CG1 3.89Å; T627-V632 HydrophobicContact CG2-CG2 3.48Å; T627-V632 VanDerWaalsContact CG2-CG2 3.48Å; S628-V632 WeakPolarHBondContact O-CG2 3.3Å; S628-V632 PolarHBondContact O-N 3.46Å; V632-M635 PolarHBondContact O-N 2.84Å; V632-M636 HydrophobicContact CG1-CG 4.36Å; V632-M636 HydrophobicContact CG1-SD 4.04Å; V632-M636 WeakPolarHBondContact O-CB 3.41Å; V632-M636 VanDerWaalsContact O-CG 3.3Å; V632-M636 WeakPolarHBondContact O-CG 3.37Å; V632-M636 PolarHBondContact O-N 3.48Å
633T88.2Confident86.3Confident1 Ų163.2 Ų63.21%0.00633%0.331CS..Hα-helixtrans-73.8-32.4-17856.80000113.6V571 G572 P618 E629 V630 I631 M636 N637V571-T633 PolarHBondContact N-OG1 3.23Å; G572-T633 VanDerWaalsContact N-CB 3.35Å; P618-T633 HydrophobicContact CB-CG2 3.77Å; P618-T633 HydrophobicContact CG-CG2 3.82Å; E629-T633 VanDerWaalsContact O-CB 3.22Å; E629-T633 WeakPolarHBondContact O-CB 3.47Å; E629-T633 VanDerWaalsContact O-CG2 3.25Å; E629-T633 WeakPolarHBondContact O-CG2 3.3Å; E629-T633 PolarHBondContact O-N 3.25Å; E629-T633 PolarHBondContact O-OG1 3.09Å; V630-T633 PolarHBondContact O-N 3.09Å; V630-T633 PolarHBondContact O-OG1 3.45Å; I631-T633 PolarHBondContact O-N 3.47Å; T633-M636 PolarHBondContact O-N 3.44Å; T633-N637 PolarHBondContact O-N 3.21Å; T633-N637 PolarHBondContact O-ND2 3.29Å
634I85.6Confident86.5Confident63 Ų6363.2 Ų63.232%0.32333%0.331SS..Hα-helixtrans-64.3-49.8170.7-68.7167.7000110.1V571 V630 I631 M636 N637 Y638V571-I634 HydrophobicContact CB-CG1 4.28Å; V571-I634 HydrophobicContact CG1-CD1 4.47Å; V571-I634 HydrophobicContact CG1-CG1 3.89Å; V630-I634 HydrophobicContact CG1-CD1 3.73Å; V630-I634 WeakPolarHBondContact O-CB 3.49Å; V630-I634 WeakPolarHBondContact O-CD1 3.36Å; V630-I634 WeakPolarHBondContact O-CG1 3.46Å; V630-I634 PolarHBondContact O-N 3.24Å; I631-I634 PolarHBondContact O-N 3.28Å; I634-M636 VanDerWaalsContact C-N 3.3Å; I634-M636 PolarHBondContact O-N 3.33Å; I634-N637 WeakPolarHBondContact O-CB 3.44Å; I634-N637 PolarHBondContact O-N 3.02Å; I634-N637 VanDerWaalsContact O-N 3.13Å; I634-Y638 HydrophobicContact CG2-CE2 4.21Å; I634-Y638 VanDerWaalsContact O-CD2 3.31Å; I634-Y638 WeakPolarHBondContact O-CD2 3.35Å
635M88.2Confident86.5Confident107 Ų10758.1 Ų58.153%0.52731%0.31SS..Hα-helixtrans-60.2-40.6176.4-66.2-669700111.9I631 V632 N637 Y638 V639I631-M635 VanDerWaalsContact O-CG 3.32Å; I631-M635 WeakPolarHBondContact O-CG 3.22Å; I631-M635 PolarHBondContact O-N 3.05Å; V632-M635 PolarHBondContact O-N 2.84Å; M635-N637 VanDerWaalsContact C-N 3.34Å; M635-N637 PolarHBondContact O-N 2.72Å; M635-Y638 HydrophobicContact CE-CD2 4.45Å; M635-Y638 PolarHBondContact O-N 2.84Å; M635-V639 WeakPolarHBondContact O-CG2 3.49Å; M635-V639 PolarHBondContact O-N 2.84Å
636M90.9Very high86.7Confident30 Ų3055.3 Ų55.315%0.14830%0.299CS..Hα-helixtrans-66.8-28.1175.9-77.2-172.366.100114A614 I617 P618 V632 T633 I634 Y638 V639 I640A614-M636 VanDerWaalsContact O-CE 3.27Å; A614-M636 WeakPolarHBondContact O-CE 3.47Å; I617-M636 HydrophobicContact CB-CE 4.01Å; I617-M636 HydrophobicContact CB-SD 4.16Å; I617-M636 HydrophobicContact CD1-CE 3.97Å; I617-M636 HydrophobicContact CG2-CE 4.12Å; I617-M636 HydrophobicContact CG2-SD 3.78Å; P618-M636 HydrophobicContact CG-SD 4.29Å; V632-M636 HydrophobicContact CG1-CG 4.36Å; V632-M636 HydrophobicContact CG1-SD 4.04Å; V632-M636 WeakPolarHBondContact O-CB 3.41Å; V632-M636 VanDerWaalsContact O-CG 3.3Å; V632-M636 WeakPolarHBondContact O-CG 3.37Å; V632-M636 PolarHBondContact O-N 3.48Å; T633-M636 PolarHBondContact O-N 3.44Å; I634-M636 VanDerWaalsContact C-N 3.3Å; I634-M636 PolarHBondContact O-N 3.33Å; M636-Y638 PolarHBondContact O-N 3.03Å; M636-V639 PolarHBondContact O-N 3.45Å; M636-I640 HydrophobicContact CB-CD1 4.41Å; M636-I640 HydrophobicContact CE-CD1 4.27Å; M636-I640 VanDerWaalsContact O-CB 3.24Å; M636-I640 WeakPolarHBondContact O-CB 3.22Å; M636-I640 WeakPolarHBondContact O-CD1 3.36Å; M636-I640 WeakPolarHBondContact O-CG1 3.45Å; M636-I640 PolarHBondContact O-N 3.17Å
637N90.1Very high87.3Confident5 Ų554.2 Ų54.23%0.02728%0.277CS..Hα-helixtrans-59.6-37172-76.3-30.6000111.5V571 G572 G575 T633 I634 M635 L641V571-N637 PolarHBondContact O-ND2 2.98Å; G572-N637 WeakPolarHBondContact CA-OD1 3.3Å; G572-N637 PolarHBondContact O-OD1 2.9Å; G575-N637 WeakPolarHBondContact CA-OD1 3.46Å; G575-N637 PolarHBondContact N-OD1 2.89Å; T633-N637 PolarHBondContact O-N 3.21Å; T633-N637 PolarHBondContact O-ND2 3.29Å; I634-N637 WeakPolarHBondContact O-CB 3.44Å; I634-N637 PolarHBondContact O-N 3.02Å; I634-N637 VanDerWaalsContact O-N 3.13Å; M635-N637 VanDerWaalsContact C-N 3.34Å; M635-N637 PolarHBondContact O-N 2.72Å; N637-L641 VanDerWaalsContact O-CB 3.31Å; N637-L641 WeakPolarHBondContact O-CB 3.45Å; N637-L641 PolarHBondContact O-N 3.27Å; N637-L641 VanDerWaalsContact O-N 3.16Å
638Y89.4Confident87.6Confident120 Ų12051.6 Ų51.647%0.47126%0.261SS..Hα-helixtrans-76.9-44.5174.7-66.8-80.4000112.7I634 M635 M636 I640 L641 Y642I634-Y638 HydrophobicContact CG2-CE2 4.21Å; I634-Y638 VanDerWaalsContact O-CD2 3.31Å; I634-Y638 WeakPolarHBondContact O-CD2 3.35Å; M635-Y638 HydrophobicContact CE-CD2 4.45Å; M635-Y638 PolarHBondContact O-N 2.84Å; M636-Y638 PolarHBondContact O-N 3.03Å; Y638-I640 VanDerWaalsContact C-N 3.29Å; Y638-I640 PolarHBondContact O-N 3.33Å; Y638-L641 WeakPolarHBondContact O-CB 3.21Å; Y638-L641 PolarHBondContact O-N 3.26Å; Y638-L641 VanDerWaalsContact O-N 3.14Å; Y638-Y642 HydrophobicContact CD1-CE2 4.39Å; Y638-Y642 WeakPolarHBondContact O-CD2 3.24Å; Y638-Y642 PolarHBondContact O-N 2.83Å
639V91.8Very high87.7Confident86 Ų8652.1 Ų52.152%0.52126%0.26SS..Hα-helixtrans-58-44.8176.5174.70000110.6M635 M636 V643M635-V639 WeakPolarHBondContact O-CG2 3.49Å; M635-V639 PolarHBondContact O-N 2.84Å; M636-V639 PolarHBondContact O-N 3.45Å; V639-V643 HydrophobicContact CG1-CG2 4.29Å; V639-V643 VanDerWaalsContact O-CB 3.27Å; V639-V643 WeakPolarHBondContact O-CB 3.24Å; V639-V643 WeakPolarHBondContact O-CG2 3.39Å; V639-V643 PolarHBondContact O-N 3.06Å
640I94.1Very high87.8Confident19 Ų1957 Ų5710%0.09728%0.282CS..Hα-helixtrans-65.6-39.1177-67.5165.1000111.4G575 L578 C579 A614 M636 Y638 A644G575-I640 WeakPolarHBondContact O-CG2 3.43Å; L578-I640 HydrophobicContact CB-CG2 4.32Å; L578-I640 HydrophobicContact CD2-CG2 4.36Å; C579-I640 WeakPolarHBondContact SG-CG2 3.27Å; A614-I640 HydrophobicContact CB-CD1 3.99Å; M636-I640 HydrophobicContact CB-CD1 4.41Å; M636-I640 HydrophobicContact CE-CD1 4.27Å; M636-I640 VanDerWaalsContact O-CB 3.24Å; M636-I640 WeakPolarHBondContact O-CB 3.22Å; M636-I640 WeakPolarHBondContact O-CD1 3.36Å; M636-I640 WeakPolarHBondContact O-CG1 3.45Å; M636-I640 PolarHBondContact O-N 3.17Å; Y638-I640 VanDerWaalsContact C-N 3.29Å; Y638-I640 PolarHBondContact O-N 3.33Å; I640-A644 WeakPolarHBondContact O-CB 3.07Å; I640-A644 PolarHBondContact O-N 3.5Å
641L91.2Very high88Confident2 Ų258.3 Ų58.31%0.0129%0.29CS..Hα-helixtrans-58.6-52.9176.3-179.366.4000111.7L578 N637 Y638 A644 N645 Q763 T765L578-L641 HydrophobicContact CD2-CB 4.38Å; L578-L641 HydrophobicContact CD2-CD1 3.86Å; N637-L641 VanDerWaalsContact O-CB 3.31Å; N637-L641 WeakPolarHBondContact O-CB 3.45Å; N637-L641 PolarHBondContact O-N 3.27Å; N637-L641 VanDerWaalsContact O-N 3.16Å; Y638-L641 WeakPolarHBondContact O-CB 3.21Å; Y638-L641 PolarHBondContact O-N 3.26Å; Y638-L641 VanDerWaalsContact O-N 3.14Å; L641-A644 PolarHBondContact O-N 2.87Å; L641-N645 VanDerWaalsContact O-CG 3.28Å; L641-N645 PolarHBondContact O-N 3.4Å; L641-N645 PolarHBondContact O-ND2 3.03Å; L641-Q763 HydrophobicContact CD1-CB 3.69Å; L641-Q763 WeakPolarHBondContact CD1-O 3.35Å; L641-T765 WeakPolarHBondContact CD1-O 3.47Å
642Y91.3Very high88.4Confident147 Ų14753.2 Ų53.258%0.57626%0.264SS*.Hα-helixtrans-70.1-35.8-178.9-61.2-55.1000112.5Y638 H646Y638-Y642 HydrophobicContact CD1-CE2 4.39Å; Y638-Y642 WeakPolarHBondContact O-CD2 3.24Å; Y638-Y642 PolarHBondContact O-N 2.83Å; Y642-H646 VanDerWaalsContact O-CB 3.28Å; Y642-H646 WeakPolarHBondContact O-CB 3.28Å; Y642-H646 PolarHBondContact O-N 2.99Å
643V92.2Very high88.2Confident75 Ų7554.5 Ų54.546%0.45527%0.274SS..Hα-helixtrans-67.2-40.8173.61690000111.7V639 H646 I647V639-V643 HydrophobicContact CG1-CG2 4.29Å; V639-V643 VanDerWaalsContact O-CB 3.27Å; V639-V643 WeakPolarHBondContact O-CB 3.24Å; V639-V643 WeakPolarHBondContact O-CG2 3.39Å; V639-V643 PolarHBondContact O-N 3.06Å; V643-H646 PolarHBondContact O-N 2.87Å; V643-I647 HydrophobicContact CG1-CD1 3.72Å; V643-I647 HydrophobicContact CG1-CG1 4.34Å; V643-I647 WeakPolarHBondContact O-CB 3.39Å; V643-I647 VanDerWaalsContact O-CG1 3.24Å; V643-I647 WeakPolarHBondContact O-CG1 3.37Å; V643-I647 PolarHBondContact O-N 3.29Å
644A90.4Very high87.7Confident6 Ų659.5 Ų59.55%0.0531%0.307CS..Hα-helixtrans-60.7-47.5175.400000111.7L578 V582 I640 L641 I647 V648L578-A644 HydrophobicContact CD2-CB 3.92Å; L578-A644 HydrophobicContact CG-CB 4.18Å; V582-A644 HydrophobicContact CG2-CB 3.92Å; I640-A644 WeakPolarHBondContact O-CB 3.07Å; I640-A644 PolarHBondContact O-N 3.5Å; L641-A644 PolarHBondContact O-N 2.87Å; A644-I647 PolarHBondContact O-N 3.23Å; A644-V648 WeakPolarHBondContact O-CG2 3.2Å; A644-V648 PolarHBondContact O-N 3.01Å; A644-V648 VanDerWaalsContact O-N 3.11Å
645N87.1Confident87.5Confident19 Ų1962.3 Ų62.310%0.10232%0.322CS..Hα-helixtrans-64.8-40.9176.8-67-17.8000111.6L641 V648 N649 Y760 V762 Q763L641-N645 VanDerWaalsContact O-CG 3.28Å; L641-N645 PolarHBondContact O-N 3.4Å; L641-N645 PolarHBondContact O-ND2 3.03Å; N645-V648 PolarHBondContact O-N 2.74Å; N645-N649 WeakPolarHBondContact O-CB 3.18Å; N645-N649 VanDerWaalsContact O-CG 3.31Å; N645-N649 PolarHBondContact O-N 3.21Å; N645-Y760 PolarHBondContact OD1-OH 2.95Å; N645-V762 HydrophobicContact CB-CG1 4.37Å; N645-V762 HydrophobicContact CB-CG2 4.19Å; N645-Q763 PolarHBondContact ND2-O 3.18Å; N645-Q763 PolarHBondContact OD1-N 3.43Å; N645-Q763 VanDerWaalsContact OD1-N 3.16Å
646H88.7Confident87.3Confident101 Ų10157.9 Ų57.947%0.46830%0.301SS..Hα-helixtrans-63.3-42.5175.4179.382.2000112.4Y642 V643 V648 N649 H650Y642-H646 VanDerWaalsContact O-CB 3.28Å; Y642-H646 WeakPolarHBondContact O-CB 3.28Å; Y642-H646 PolarHBondContact O-N 2.99Å; V643-H646 PolarHBondContact O-N 2.87Å; H646-V648 PolarHBondContact O-N 2.87Å; H646-N649 PolarHBondContact O-N 2.7Å; H646-H650 AromaticContact CE1-CG 3.87Å; H646-H650 AromaticContact CE1-ND1 3.56Å; H646-H650 AromaticContact CG-ND1 3.76Å; H646-H650 AromaticContact ND1-CE1 3.69Å; H646-H650 AromaticContact ND1-CG 3.93Å; H646-H650 AromaticContact ND1-ND1 3.15Å; H646-H650 PolarHBondContact ND1-ND1 3.4Å; H646-H650 VanDerWaalsContact ND1-ND1 3.15Å; H646-H650 PolarHBondContact O-N 3.37Å; H646-H650 PolarHBondContact O-ND1 2.88Å
647I88.6Confident86.8Confident40 Ų4058 Ų5821%0.20530%0.302CS..Hα-helixtrans-59.2-46.7176.7-74.9166.1000110.9V582 W586 V643 A644 N649 V651 M652V582-I647 HydrophobicContact CG1-CG2 4.46Å; W586-I647 HydrophobicContact CE3-CG2 4.18Å; W586-I647 HydrophobicContact CH2-CG2 4.22Å; W586-I647 HydrophobicContact CZ3-CG2 3.7Å; V643-I647 HydrophobicContact CG1-CD1 3.72Å; V643-I647 HydrophobicContact CG1-CG1 4.34Å; V643-I647 WeakPolarHBondContact O-CB 3.39Å; V643-I647 VanDerWaalsContact O-CG1 3.24Å; V643-I647 WeakPolarHBondContact O-CG1 3.37Å; V643-I647 PolarHBondContact O-N 3.29Å; A644-I647 PolarHBondContact O-N 3.23Å; I647-N649 VanDerWaalsContact C-N 3.35Å; I647-V651 HydrophobicContact CB-CB 4.47Å; I647-V651 HydrophobicContact CG1-CG2 4.46Å; I647-V651 HydrophobicContact CG2-CB 4.36Å; I647-V651 CarbonylContact O-C 3.46Å; I647-V651 WeakPolarHBondContact O-CA 3.44Å; I647-V651 WeakPolarHBondContact O-CB 3.48Å; I647-V651 PolarHBondContact O-N 2.89Å; I647-M652 HydrophobicContact CG2-CE 4.07Å; I647-M652 HydrophobicContact CG2-CG 4.19Å; I647-M652 PolarHBondContact O-N 2.67Å
648V84.4Confident86.2Confident0 Ų060.6 Ų60.60%032%0.32CS..Hα-helixtrans-70.3-32.1-178.1170.80000112.2A644 N645 H646 M652 I657 T663 Y760A644-V648 WeakPolarHBondContact O-CG2 3.2Å; A644-V648 PolarHBondContact O-N 3.01Å; A644-V648 VanDerWaalsContact O-N 3.11Å; N645-V648 PolarHBondContact O-N 2.74Å; H646-V648 PolarHBondContact O-N 2.87Å; V648-M652 HydrophobicContact CG2-CE 3.76Å; V648-M652 HydrophobicContact CG2-SD 3.93Å; V648-I657 WeakPolarHBondContact O-CD1 3.45Å; V648-T663 HydrophobicContact CG1-CG2 4.07Å; V648-Y760 HydrophobicContact CB-CD1 4.27Å; V648-Y760 HydrophobicContact CB-CE1 4.19Å; V648-Y760 HydrophobicContact CG1-CD1 4.03Å; V648-Y760 HydrophobicContact CG1-CE1 4.27Å; V648-Y760 HydrophobicContact CG2-CD1 3.59Å; V648-Y760 HydrophobicContact CG2-CE1 3.68Å; V648-Y760 HydrophobicContact CG2-CG 4.42Å
649N82.1Confident85.3Confident61 Ų6160.3 Ų60.333%0.32633%0.327SS..Hα-helixtrans-83.6-28.1179.7-72.3-2.9000114.4N645 H646 I647 G661N645-N649 WeakPolarHBondContact O-CB 3.18Å; N645-N649 VanDerWaalsContact O-CG 3.31Å; N645-N649 PolarHBondContact O-N 3.21Å; H646-N649 PolarHBondContact O-N 2.7Å; I647-N649 VanDerWaalsContact C-N 3.35Å; N649-G661 WeakPolarHBondContact OD1-CA 3.41Å; N649-G661 PolarHBondContact OD1-N 2.99Å
650H84.1Confident84Confident129 Ų12960.7 Ų60.760%0.59732%0.321SS*.Hα-helixtrans-135.5-9.5-167.8-44.792.9000115.9H646H646-H650 AromaticContact CE1-CG 3.87Å; H646-H650 AromaticContact CE1-ND1 3.56Å; H646-H650 AromaticContact CG-ND1 3.76Å; H646-H650 AromaticContact ND1-CE1 3.69Å; H646-H650 AromaticContact ND1-CG 3.93Å; H646-H650 AromaticContact ND1-ND1 3.15Å; H646-H650 PolarHBondContact ND1-ND1 3.4Å; H646-H650 VanDerWaalsContact ND1-ND1 3.15Å; H646-H650 PolarHBondContact O-N 3.37Å; H646-H650 PolarHBondContact O-ND1 2.88Å
651V86.1Confident83.1Confident78 Ų7860.1 Ų60.147%0.47332%0.32SS..THydrogen-bonded Turntrans-121.6-29.2-172.2-172.10000112.9W586 I647W586-V651 HydrophobicContact CH2-CG1 4.15Å; I647-V651 HydrophobicContact CB-CB 4.47Å; I647-V651 HydrophobicContact CG1-CG2 4.46Å; I647-V651 HydrophobicContact CG2-CB 4.36Å; I647-V651 CarbonylContact O-C 3.46Å; I647-V651 WeakPolarHBondContact O-CA 3.44Å; I647-V651 WeakPolarHBondContact O-CB 3.48Å; I647-V651 PolarHBondContact O-N 2.89Å
652M86.3Confident82.8Confident6 Ų662.2 Ų62.23%0.0333%0.333CS..SBendtrans-69.6143.5170.5-72.1-163.4-178.400111.1V582 W586 I647 V648 I656 I657 T663V582-M652 HydrophobicContact CG1-CE 3.69Å; W586-M652 HydrophobicContact CB-CE 3.83Å; W586-M652 HydrophobicContact CD2-CE 3.9Å; W586-M652 HydrophobicContact CD2-CG 4.36Å; W586-M652 HydrophobicContact CE3-CE 3.96Å; W586-M652 HydrophobicContact CG-CE 3.87Å; I647-M652 HydrophobicContact CG2-CE 4.07Å; I647-M652 HydrophobicContact CG2-CG 4.19Å; I647-M652 PolarHBondContact O-N 2.67Å; V648-M652 HydrophobicContact CG2-CE 3.76Å; V648-M652 HydrophobicContact CG2-SD 3.93Å; M652-I656 HydrophobicContact CB-CD1 3.93Å; M652-I656 HydrophobicContact CB-CG1 4.08Å; M652-I656 HydrophobicContact CG-CD1 4.06Å; M652-I656 HydrophobicContact SD-CD1 3.85Å; M652-I657 HydrophobicContact CB-CD1 4.3Å; M652-I657 HydrophobicContact CB-CG1 4.38Å; M652-T663 HydrophobicContact SD-CG2 3.86Å
653S81.8Confident82.6Confident50 Ų5055.2 Ų55.235%0.3531%0.306SS..  trans-61.3140176.9-170.50000110.6D655 I656S653-D655 PolarHBondContact O-N 3.4Å; S653-D655 PolarHBondContact OG-N 2.77Å; S653-D655 PolarHBondContact OG-OD2 3.25Å; S653-I656 VanDerWaalsContact O-CG1 3.23Å; S653-I656 WeakPolarHBondContact O-CG1 3.29Å; S653-I656 PolarHBondContact O-N 2.89Å
654P77.9Confident82.3Confident105 Ų10556.1 Ų56.168%0.68230%0.303SS*.G310 helixtrans-48.9-30.2168.1-28.836.3000113.3I656 I657P654-I656 PolarHBondContact O-N 3Å; P654-I656 VanDerWaalsContact O-N 3.13Å; P654-I657 PolarHBondContact O-N 2.85Å
655D79.9Confident82.1Confident122 Ų12258.8 Ų58.865%0.65233%0.331SS*.G310 helixtrans-58.3-25.1176.5-56.2-60.5000114.5S653 K664S653-D655 PolarHBondContact O-N 3.4Å; S653-D655 PolarHBondContact OG-N 2.77Å; S653-D655 PolarHBondContact OG-OD2 3.25Å; D655-K664 WeakPolarHBondContact O-CD 3.45Å; D655-K664 WeakPolarHBondContact O-CE 3.47Å; D655-K664 PolarHBondContact O-NZ 2.87Å
656I84.8Confident82.2Confident15 Ų1558.4 Ų58.48%0.07733%0.33CS..G310 helixtrans-107.9-2.3-178.965.6167.3000113.7L589 M652 S653 P654 T663 K664L589-I656 HydrophobicContact CB-CB 3.86Å; L589-I656 HydrophobicContact CB-CD1 4.34Å; L589-I656 HydrophobicContact CB-CG2 3.73Å; L589-I656 HydrophobicContact CD1-CB 4.15Å; M652-I656 HydrophobicContact CB-CD1 3.93Å; M652-I656 HydrophobicContact CB-CG1 4.08Å; M652-I656 HydrophobicContact CG-CD1 4.06Å; M652-I656 HydrophobicContact SD-CD1 3.85Å; S653-I656 VanDerWaalsContact O-CG1 3.23Å; S653-I656 WeakPolarHBondContact O-CG1 3.29Å; S653-I656 PolarHBondContact O-N 2.89Å; P654-I656 PolarHBondContact O-N 3Å; P654-I656 VanDerWaalsContact O-N 3.13Å; I656-T663 WeakPolarHBondContact O-CA 3.18Å; I656-K664 PolarHBondContact O-N 3.45Å
657I80.4Confident82Confident32 Ų3255.8 Ų55.816%0.16433%0.33CS..EExtended strand (participates in β ladder)trans-93.4138.1175.4-62.5173000108.7V648 M652 P654 N659 K664V648-I657 WeakPolarHBondContact O-CD1 3.45Å; M652-I657 HydrophobicContact CB-CD1 4.3Å; M652-I657 HydrophobicContact CB-CG1 4.38Å; P654-I657 PolarHBondContact O-N 2.85Å; I657-N659 WeakPolarHBondContact CG2-O 3.35Å; I657-K664 WeakPolarHBondContact O-CE 3.23Å
658S77.1Confident81.7Confident59 Ų5960.2 Ų60.241%0.41335%0.354SS..EExtended strand (participates in β ladder)trans-93.5-50171.458.90000111.6V662S658-V662 PolarHBondContact N-O 3Å; S658-V662 PolarHBondContact OG-O 3.02Å
659N71.9Confident81.8Confident114 Ų11464 Ų6461%0.6137%0.374SS*.EExtended strand (participates in β ladder)trans-137.3162.8175.6-63.338.8000108.2I657 G661 V662I657-N659 WeakPolarHBondContact CG2-O 3.35Å; N659-G661 PolarHBondContact O-N 3.43Å; N659-G661 VanDerWaalsContact O-N 3.09Å; N659-V662 PolarHBondContact N-O 3.35Å; N659-V662 PolarHBondContact O-N 3.15Å; N659-V662 VanDerWaalsContact O-O 3.05Å
660K64.1Low82.1Confident94 Ų9461.3 Ų61.341%0.40936%0.36SS..THydrogen-bonded Turntrans-48.9119.4175.6-156.1171.7176.8176.20108.8V662 D1272 V1274K660-V662 PolarHBondContact O-N 3.23Å; K660-D1272 VanDerWaalsContact NZ-CG 3.32Å; K660-D1272 IonicContact NZ-OD1 3.86Å; K660-D1272 PolarHBondContact NZ-OD1 3.32Å; K660-D1272 IonicContact NZ-OD2 3.65Å; K660-D1272 PolarHBondContact NZ-OD2 3.04Å; K660-V1274 HydrophobicContact CD-CB 4.36Å; K660-V1274 HydrophobicContact CD-CG1 3.77Å
661G74.6Confident82.5Confident7 Ų755.1 Ų55.17%0.07233%0.332CS..THydrogen-bonded Turntrans801-177.700000118.1N649 N659 F761 V762N649-G661 WeakPolarHBondContact OD1-CA 3.41Å; N649-G661 PolarHBondContact OD1-N 2.99Å; N659-G661 PolarHBondContact O-N 3.43Å; N659-G661 VanDerWaalsContact O-N 3.09Å; G661-F761 CarbonylContact O-C 3.28Å; G661-F761 WeakPolarHBondContact O-CA 3.39Å; G661-V762 PolarHBondContact O-N 3.43Å
662V85Confident82.8Confident46 Ų4651.7 Ų51.728%0.27931%0.311SS..EExtended strand (participates in β ladder)trans-128126.7177.6-173.40000111S658 N659 K660 F761S658-V662 PolarHBondContact N-O 3Å; S658-V662 PolarHBondContact OG-O 3.02Å; N659-V662 PolarHBondContact N-O 3.35Å; N659-V662 PolarHBondContact O-N 3.15Å; N659-V662 VanDerWaalsContact O-O 3.05Å; K660-V662 PolarHBondContact O-N 3.23Å; V662-F761 HydrophobicContact CG1-CB 4.46Å; V662-F761 HydrophobicContact CG2-CB 4.15Å
663T87.6Confident83Confident1 Ų154.9 Ų54.91%0.00632%0.322CS..EExtended strand (participates in β ladder)trans-85.5153.3176.256.40000112.1I585 L589 V648 M652 I656 N759 Y760I585-T663 HydrophobicContact CG2-CG2 4.48Å; L589-T663 HydrophobicContact CD1-CG2 4.47Å; V648-T663 HydrophobicContact CG1-CG2 4.07Å; M652-T663 HydrophobicContact SD-CG2 3.86Å; I656-T663 WeakPolarHBondContact O-CA 3.18Å; T663-N759 WeakPolarHBondContact O-CB 3.42Å; T663-Y760 PolarHBondContact N-O 3.41Å; T663-Y760 WeakPolarHBondContact OG1-CA 3.38Å; T663-Y760 PolarHBondContact OG1-N 2.66Å; T663-Y760 PolarHBondContact OG1-O 2.98Å
664K86.4Confident83.4Confident93 Ų9354.9 Ų54.940%0.40432%0.317SS..PPolyproline II helixtrans-59.3151.3176.6-72178.3179.7162.60111.6L589 D655 I656 I657 V666L589-K664 WeakPolarHBondContact CD1-O 3.23Å; L589-K664 HydrophobicContact CD2-CB 4.37Å; D655-K664 WeakPolarHBondContact O-CD 3.45Å; D655-K664 WeakPolarHBondContact O-CE 3.47Å; D655-K664 PolarHBondContact O-NZ 2.87Å; I656-K664 PolarHBondContact O-N 3.45Å; I657-K664 WeakPolarHBondContact O-CE 3.23Å; K664-V666 PolarHBondContact O-N 2.61Å
665G86.1Confident83.9Confident62 Ų6254 Ų5464%0.63931%0.311SS*.PPolyproline II helixtrans-64.3125.3175.700000112
666V88.3Confident84.4Confident11 Ų1154.6 Ų54.67%0.06730%0.304CS..PPolyproline II helixtrans-67.1129.3177.9170.70000110.7I585 A588 L589 K664 A670 L754 M758I585-V666 HydrophobicContact CD1-CG2 3.76Å; A588-V666 HydrophobicContact CB-CG1 3.75Å; A588-V666 HydrophobicContact CB-CG2 3.9Å; L589-V666 HydrophobicContact CD2-CB 4.44Å; L589-V666 HydrophobicContact CD2-CG2 3.71Å; L589-V666 HydrophobicContact CG-CG2 3.88Å; K664-V666 PolarHBondContact O-N 2.61Å; V666-A670 HydrophobicContact CG1-CB 3.59Å; V666-L754 HydrophobicContact CG1-CD2 4.18Å; V666-L754 HydrophobicContact CG2-CD2 4.43Å; V666-M758 HydrophobicContact CB-CE 3.84Å; V666-M758 WeakPolarHBondContact CB-O 3.38Å; V666-M758 HydrophobicContact CG1-CE 3.95Å; V666-M758 PolarHBondContact N-O 2.63Å; V666-M758 WeakPolarHBondContact O-CE 3.25Å
667G83.8Confident84.7Confident47 Ų4754.1 Ų54.149%0.48530%0.302SS..PPolyproline II helixtrans-65.5157.6179.200000114.1N669 A670 S671G667-N669 PolarHBondContact O-N 2.95Å; G667-A670 PolarHBondContact O-N 3.26Å; G667-S671 PolarHBondContact O-N 2.67Å
668L83.7Confident85Confident133 Ų13354.2 Ų54.270%0.69630%0.304SS*.G310 helixtrans-55.5-25.7-178-70.3170.4000114.3K596 A670 S671K596-L668 PolarHBondContact NZ-O 3.15Å; L668-A670 VanDerWaalsContact C-N 3.33Å; L668-A670 PolarHBondContact O-N 3.05Å; L668-S671 PolarHBondContact O-N 2.76Å
669N86.3Confident85.6Confident78 Ų7857 Ų5742%0.41731%0.314SS..G310 helixtrans-61.9-36174-74.6-15.9000112.8K596 G667K596-N669 WeakPolarHBondContact CA-O 3.25Å; K596-N669 WeakPolarHBondContact CB-O 3.25Å; K596-N669 WeakPolarHBondContact CD-O 3.17Å; K596-N669 WeakPolarHBondContact CG-O 3.49Å; G667-N669 PolarHBondContact O-N 2.95Å
670A88.7Confident86.5Confident5 Ų556.1 Ų56.14%0.04131%0.309CS..G310 helixtrans-103.57.3178.600000113.2A588 V599 V666 G667 L668A588-A670 HydrophobicContact CB-CB 3.63Å; V599-A670 HydrophobicContact CG1-CB 3.84Å; V599-A670 HydrophobicContact CG2-CB 3.84Å; V666-A670 HydrophobicContact CG1-CB 3.59Å; G667-A670 PolarHBondContact O-N 3.26Å; L668-A670 VanDerWaalsContact C-N 3.33Å; L668-A670 PolarHBondContact O-N 3.05Å
671S91.1Very high87.8Confident0 Ų053.7 Ų53.70%030%0.298CS..  trans-81.1142177.4-1690000113K596 G667 L668 R673 L754 M758K596-S671 WeakPolarHBondContact CE-O 3.3Å; K596-S671 PolarHBondContact NZ-O 3.44Å; G667-S671 PolarHBondContact O-N 2.67Å; L668-S671 PolarHBondContact O-N 2.76Å; S671-R673 VanDerWaalsContact C-N 3.26Å; S671-R673 VanDerWaalsContact OG-CB 3.3Å; S671-R673 WeakPolarHBondContact OG-CB 3.41Å; S671-R673 PolarHBondContact OG-N 3.36Å; S671-L754 PolarHBondContact OG-O 2.77Å; S671-M758 VanDerWaalsContact OG-CE 3.25Å; S671-M758 WeakPolarHBondContact OG-CE 3.2Å; S671-M758 PolarHBondContact OG-SD 3.44Å
672L93.4Very high88.3Confident6 Ų655.5 Ų55.53%0.03132%0.317CS..SBendtrans-74.9-13.2162.3-72.3168.5000112.6L600 I604 N687 M688 V750 V751 L754L600-L672 HydrophobicContact CD1-CD2 3.94Å; L600-L672 HydrophobicContact CD1-CG 4.12Å; L600-L672 HydrophobicContact CD2-CD2 4.31Å; I604-L672 HydrophobicContact CD1-CD2 4.3Å; L672-N687 HydrophobicContact CB-CB 4.05Å; L672-N687 CarbonylContact O-C 3.55Å; L672-N687 WeakPolarHBondContact O-CA 3.31Å; L672-N687 WeakPolarHBondContact O-CB 3.47Å; L672-M688 HydrophobicContact CD2-CB 4.16Å; L672-M688 WeakPolarHBondContact O-CB 3.31Å; L672-M688 WeakPolarHBondContact O-CG 3.34Å; L672-M688 PolarHBondContact O-N 3.28Å; L672-V750 HydrophobicContact CD1-CG1 4.46Å; L672-V751 HydrophobicContact CD1-CG2 4.23Å; L672-L754 HydrophobicContact CD1-CB 4.01Å; L672-L754 HydrophobicContact CG-CB 4Å; L672-L754 PolarHBondContact N-O 3.39Å
673R90.8Very high88.1Confident72 Ų7255.4 Ų55.427%0.27233%0.326SS..BIsolated β-bridgetrans-69.9145.1175.5-60.6179.8-179.7-176.24.2110.2K596 S671 N687 G755 T756 M758K596-R673 PolarHBondContact NZ-O 2.94Å; S671-R673 VanDerWaalsContact C-N 3.26Å; S671-R673 VanDerWaalsContact OG-CB 3.3Å; S671-R673 WeakPolarHBondContact OG-CB 3.41Å; S671-R673 PolarHBondContact OG-N 3.36Å; R673-N687 HydrophobicContact CG-CB 4.02Å; R673-G755 PolarHBondContact NE-O 3.06Å; R673-T756 PolarHBondContact NH2-O 3.12Å; R673-M758 HydrophobicContact CG-SD 4.38Å
674E90.2Very high88.2Confident51 Ų5155.4 Ų55.424%0.23833%0.326CS..  trans-137.6125.5-177.8-83.6-59147.200110K596 W676 L677 T678 M688K596-E674 WeakPolarHBondContact CE-OE1 3.33Å; K596-E674 IonicContact NZ-OE1 3.58Å; K596-E674 PolarHBondContact NZ-OE1 2.66Å; E674-W676 VanDerWaalsContact C-N 3.27Å; E674-W676 PolarHBondContact O-N 3.02Å; E674-L677 HydrophobicContact CB-CB 4.07Å; E674-L677 WeakPolarHBondContact O-CB 3.43Å; E674-L677 PolarHBondContact O-N 3.02Å; E674-T678 PolarHBondContact O-N 2.83Å; E674-M688 HydrophobicContact CB-CG 4.5Å; E674-M688 HydrophobicContact CG-CG 3.69Å; E674-M688 HydrophobicContact CG-SD 3.99Å
675P87.3Confident88.3Confident85 Ų8556.5 Ų56.555%0.55233%0.327SS*.Hα-helixtrans-57-36.6-174.1-27.835.3000114L677 N679P675-L677 VanDerWaalsContact C-N 3.28Å; P675-L677 PolarHBondContact O-N 3.23Å; P675-N679 VanDerWaalsContact O-CB 3.23Å; P675-N679 WeakPolarHBondContact O-CB 3.23Å; P675-N679 PolarHBondContact O-N 3.48Å; P675-N679 PolarHBondContact O-ND2 3.22Å
676W91.8Very high88.6Confident135 Ų13553.6 Ų53.651%0.51130%0.297SS..Hα-helixtrans-64.7-33.9177.972.7-93.9000112.4E674 L680 M688 I691E674-W676 VanDerWaalsContact C-N 3.27Å; E674-W676 PolarHBondContact O-N 3.02Å; W676-L680 HydrophobicContact CZ3-CD2 4.2Å; W676-L680 WeakPolarHBondContact O-CB 3.38Å; W676-L680 PolarHBondContact O-N 2.84Å; W676-M688 HydrophobicContact CZ2-SD 3.97Å; W676-I691 HydrophobicContact CH2-CD1 4.16Å; W676-I691 HydrophobicContact CZ2-CD1 4.38Å
677L90.2Very high88.8Confident6 Ų653.2 Ų53.23%0.03130%0.295CS..Hα-helixtrans-81.1-43.7-176.1-175.657.9000110.8E674 P675 N679 L680 F681 V686 M688E674-L677 HydrophobicContact CB-CB 4.07Å; E674-L677 WeakPolarHBondContact O-CB 3.43Å; E674-L677 PolarHBondContact O-N 3.02Å; P675-L677 VanDerWaalsContact C-N 3.28Å; P675-L677 PolarHBondContact O-N 3.23Å; L677-N679 VanDerWaalsContact C-N 3.33Å; L677-N679 PolarHBondContact O-N 3.31Å; L677-L680 PolarHBondContact O-N 3.17Å; L677-F681 HydrophobicContact CD1-CD2 3.98Å; L677-F681 HydrophobicContact CD1-CE2 3.84Å; L677-F681 WeakPolarHBondContact O-CD2 3.22Å; L677-F681 PolarHBondContact O-N 2.89Å; L677-F681 VanDerWaalsContact O-N 3.16Å; L677-V686 HydrophobicContact CD1-CG1 3.86Å; L677-V686 HydrophobicContact CD2-CG1 3.88Å; L677-V686 HydrophobicContact CG-CB 4.13Å; L677-V686 HydrophobicContact CG-CG1 3.62Å; L677-M688 HydrophobicContact CD2-SD 4.08Å
678T87.7Confident89.3Confident33 Ų3353.9 Ų53.920%0.20229%0.286CS..Hα-helixtrans-56.1-45.5167.5-73.80000111.3E674 F681 G682 G683 S684E674-T678 PolarHBondContact O-N 2.83Å; T678-F681 CarbonylContact O-C 3.59Å; T678-F681 VanDerWaalsContact O-C 3.3Å; T678-F681 PolarHBondContact O-N 3.33Å; T678-G682 PolarHBondContact O-N 2.63Å; T678-G682 VanDerWaalsContact O-N 3.15Å; T678-G683 PolarHBondContact O-N 3.49Å; T678-S684 WeakPolarHBondContact CG2-O 3.04Å; T678-S684 PolarHBondContact OG1-O 3.41Å
679N88.5Confident89.7Confident119 Ų11947.5 Ų47.564%0.63625%0.253SS*.Hα-helixtrans-66.3-39.7178.2-72.2-15.5000112.8P675 L677 F681 G682P675-N679 VanDerWaalsContact O-CB 3.23Å; P675-N679 WeakPolarHBondContact O-CB 3.23Å; P675-N679 PolarHBondContact O-N 3.48Å; P675-N679 PolarHBondContact O-ND2 3.22Å; L677-N679 VanDerWaalsContact C-N 3.33Å; L677-N679 PolarHBondContact O-N 3.31Å; N679-F681 VanDerWaalsContact C-N 3.28Å; N679-F681 PolarHBondContact O-N 2.82Å; N679-G682 PolarHBondContact O-N 2.93Å; N679-G682 VanDerWaalsContact O-N 3.13Å
680L91.1Very high90.1Very high94 Ų9444.4 Ų44.449%0.49224%0.236SC..Hα-helixtrans-58.4-41.5176.7179.262.1000111.8W676 L677W676-L680 HydrophobicContact CZ3-CD2 4.2Å; W676-L680 WeakPolarHBondContact O-CB 3.38Å; W676-L680 PolarHBondContact O-N 2.84Å; L677-L680 PolarHBondContact O-N 3.17Å
681F91Very high90.3Very high43 Ų4347.2 Ų47.219%0.18925%0.25CC..THydrogen-bonded Turntrans-98.333.9176-65.5-82.6000112.9K540 M541 I543 L547 L677 T678 N679 G683 S684 V686K540-F681 CarbonylContact C-O 3.55Å; M541-F681 VanDerWaalsContact CA-O 3.32Å; M541-F681 WeakPolarHBondContact CA-O 3.45Å; M541-F681 PolarHBondContact N-O 3.31Å; I543-F681 HydrophobicContact CG2-CD1 4.19Å; I543-F681 HydrophobicContact CG2-CE1 3.94Å; L547-F681 HydrophobicContact CD1-CD1 4.48Å; L547-F681 HydrophobicContact CD1-CE1 3.78Å; L547-F681 HydrophobicContact CD1-CE2 4.15Å; L547-F681 HydrophobicContact CD1-CZ 3.59Å; L677-F681 HydrophobicContact CD1-CD2 3.98Å; L677-F681 HydrophobicContact CD1-CE2 3.84Å; L677-F681 WeakPolarHBondContact O-CD2 3.22Å; L677-F681 PolarHBondContact O-N 2.89Å; L677-F681 VanDerWaalsContact O-N 3.16Å; T678-F681 CarbonylContact O-C 3.59Å; T678-F681 VanDerWaalsContact O-C 3.3Å; T678-F681 PolarHBondContact O-N 3.33Å; N679-F681 VanDerWaalsContact C-N 3.28Å; N679-F681 PolarHBondContact O-N 2.82Å; F681-G683 PolarHBondContact O-N 3.41Å; F681-S684 WeakPolarHBondContact CB-OG 3.39Å; F681-S684 PolarHBondContact O-N 2.89Å; F681-S684 PolarHBondContact O-OG 2.75Å; F681-V686 HydrophobicContact CB-CG2 3.81Å; F681-V686 HydrophobicContact CD2-CB 4.22Å; F681-V686 HydrophobicContact CD2-CG1 4.04Å; F681-V686 HydrophobicContact CD2-CG2 4.01Å; F681-V686 HydrophobicContact CE2-CG1 4.35Å; F681-V686 HydrophobicContact CG-CG2 3.96Å
682G84.7Confident90.4Very high46 Ų4649.4 Ų49.447%0.47426%0.261SS..THydrogen-bonded Turntrans64.431.8162.600000116.6T678 N679T678-G682 PolarHBondContact O-N 2.63Å; T678-G682 VanDerWaalsContact O-N 3.15Å; N679-G682 PolarHBondContact O-N 2.93Å; N679-G682 VanDerWaalsContact O-N 3.13Å
683G81.6Confident90.5Very high44 Ų4449.1 Ų49.145%0.45426%0.259SS..THydrogen-bonded Turntrans95.72.8178.100000115.3T678 F681T678-G683 PolarHBondContact O-N 3.49Å; F681-G683 PolarHBondContact O-N 3.41Å
684S88.8Confident90.7Very high1 Ų149.3 Ų49.31%0.00727%0.265CS..  trans-70.9163.8177.550.20000114E545 T678 F681 V686E545-S684 WeakPolarHBondContact OE1-CA 3.45Å; E545-S684 WeakPolarHBondContact OE1-CB 3.3Å; T678-S684 WeakPolarHBondContact CG2-O 3.04Å; T678-S684 PolarHBondContact OG1-O 3.41Å; F681-S684 WeakPolarHBondContact CB-OG 3.39Å; F681-S684 PolarHBondContact O-N 2.89Å; F681-S684 PolarHBondContact O-OG 2.75Å; S684-V686 PolarHBondContact O-N 3.38Å; S684-V686 WeakPolarHBondContact OG-CG2 3.16Å
685R88.7Confident91Very high115 Ų11550.4 Ų50.443%0.43428%0.275SS..  trans-72.915.1-178.7-59.1177.8-67.9-173.9-1.7114E545 V548 N687E545-R685 PolarHBondContact OE1-N 3.31Å; E545-R685 IonicContact OE1-NE 3.84Å; E545-R685 IonicContact OE2-CZ 2.78Å; E545-R685 IonicContact OE2-NE 3.9Å; E545-R685 PolarHBondContact OE2-NE 2.9Å; E545-R685 IonicContact OE2-NH2 3.88Å; E545-R685 PolarHBondContact OE2-NH2 3.44Å; V548-R685 HydrophobicContact CG1-CB 4.47Å; V548-R685 HydrophobicContact CG2-CB 4Å; V548-R685 WeakPolarHBondContact CG2-O 3.36Å; R685-N687 PolarHBondContact O-N 2.85Å; R685-N687 PolarHBondContact O-ND2 3.32Å
686V92.5Very high91.4Very high1 Ų148.7 Ų48.71%0.00626%0.259CS..  trans-58.3129.2-178.1-172.40000110G544 V548 L677 F681 S684 I690G544-V686 VanDerWaalsContact C-CG2 3.47Å; G544-V686 VanDerWaalsContact O-CG2 3.3Å; G544-V686 WeakPolarHBondContact O-CG2 3.27Å; V548-V686 HydrophobicContact CG2-CB 4.5Å; V548-V686 HydrophobicContact CG2-CG2 4.17Å; L677-V686 HydrophobicContact CD1-CG1 3.86Å; L677-V686 HydrophobicContact CD2-CG1 3.88Å; L677-V686 HydrophobicContact CG-CB 4.13Å; L677-V686 HydrophobicContact CG-CG1 3.62Å; F681-V686 HydrophobicContact CB-CG2 3.81Å; F681-V686 HydrophobicContact CD2-CB 4.22Å; F681-V686 HydrophobicContact CD2-CG1 4.04Å; F681-V686 HydrophobicContact CD2-CG2 4.01Å; F681-V686 HydrophobicContact CE2-CG1 4.35Å; F681-V686 HydrophobicContact CG-CG2 3.96Å; S684-V686 PolarHBondContact O-N 3.38Å; S684-V686 WeakPolarHBondContact OG-CG2 3.16Å; V686-I690 HydrophobicContact CG1-CG2 4.19Å
687N93.7Very high91.5Very high4 Ų442.7 Ų42.72%0.02124%0.237CC..BIsolated β-bridgetrans-133.2164.1-172.461.577.3000109.9L672 R673 R685 G689 I690L672-N687 HydrophobicContact CB-CB 4.05Å; L672-N687 CarbonylContact O-C 3.55Å; L672-N687 WeakPolarHBondContact O-CA 3.31Å; L672-N687 WeakPolarHBondContact O-CB 3.47Å; R673-N687 HydrophobicContact CG-CB 4.02Å; R685-N687 PolarHBondContact O-N 2.85Å; R685-N687 PolarHBondContact O-ND2 3.32Å; N687-G689 PolarHBondContact O-N 3.38Å; N687-G689 WeakPolarHBondContact OD1-CA 3.43Å; N687-G689 PolarHBondContact OD1-N 2.91Å; N687-I690 PolarHBondContact O-N 3.34Å
688M93.4Very high91.8Very high60 Ų6046.7 Ų46.730%0.29626%0.262SS..THydrogen-bonded Turntrans-58.6-13.4-178.3-66.2-61.3-6500113.6L672 E674 W676 L677 I690 I691 L692L672-M688 HydrophobicContact CD2-CB 4.16Å; L672-M688 WeakPolarHBondContact O-CB 3.31Å; L672-M688 WeakPolarHBondContact O-CG 3.34Å; L672-M688 PolarHBondContact O-N 3.28Å; E674-M688 HydrophobicContact CB-CG 4.5Å; E674-M688 HydrophobicContact CG-CG 3.69Å; E674-M688 HydrophobicContact CG-SD 3.99Å; W676-M688 HydrophobicContact CZ2-SD 3.97Å; L677-M688 HydrophobicContact CD2-SD 4.08Å; M688-I690 VanDerWaalsContact C-N 3.28Å; M688-I690 PolarHBondContact O-N 2.94Å; M688-I691 HydrophobicContact CE-CB 4.46Å; M688-I691 HydrophobicContact CE-CD1 3.9Å; M688-I691 HydrophobicContact CE-CG2 4.47Å; M688-I691 PolarHBondContact O-N 3.3Å; M688-I691 VanDerWaalsContact O-N 3.1Å; M688-I691 HydrophobicContact SD-CD1 3.89Å; M688-L692 PolarHBondContact O-N 3.23Å
689G93Very high92.1Very high0 Ų049.5 Ų49.50%028%0.275CS..Hα-helixtrans-57.9-31.6174.900000114.7N687 L692 A693N687-G689 PolarHBondContact O-N 3.38Å; N687-G689 WeakPolarHBondContact OD1-CA 3.43Å; N687-G689 PolarHBondContact OD1-N 2.91Å; G689-L692 PolarHBondContact O-N 2.97Å; G689-A693 VanDerWaalsContact O-CB 3.28Å; G689-A693 WeakPolarHBondContact O-CB 3.48Å; G689-A693 PolarHBondContact O-N 2.82Å
690I93.1Very high92.4Very high12 Ų1244.2 Ų44.26%0.06225%0.247CC..Hα-helixtrans-71.5-35.9174-169.962.8000112.2L547 A550 I554 V686 N687 M688 A693 L694L547-I690 HydrophobicContact CB-CB 4.46Å; L547-I690 HydrophobicContact CB-CG1 4.1Å; L547-I690 HydrophobicContact CD2-CD1 4.35Å; L547-I690 HydrophobicContact CD2-CG1 4.14Å; A550-I690 HydrophobicContact CB-CD1 4.42Å; I554-I690 HydrophobicContact CD1-CD1 4.05Å; V686-I690 HydrophobicContact CG1-CG2 4.19Å; N687-I690 PolarHBondContact O-N 3.34Å; M688-I690 VanDerWaalsContact C-N 3.28Å; M688-I690 PolarHBondContact O-N 2.94Å; I690-A693 PolarHBondContact O-N 2.83Å; I690-L694 WeakPolarHBondContact O-CG 3.3Å; I690-L694 PolarHBondContact O-N 3.5Å
691I93.2Very high92.6Very high65 Ų6545.2 Ų45.233%0.33324%0.244SC..Hα-helixtrans-68.8-41.4175.2-64.1173000109.3W676 M688 L694 V695W676-I691 HydrophobicContact CH2-CD1 4.16Å; W676-I691 HydrophobicContact CZ2-CD1 4.38Å; M688-I691 HydrophobicContact CE-CB 4.46Å; M688-I691 HydrophobicContact CE-CD1 3.9Å; M688-I691 HydrophobicContact CE-CG2 4.47Å; M688-I691 PolarHBondContact O-N 3.3Å; M688-I691 VanDerWaalsContact O-N 3.1Å; M688-I691 HydrophobicContact SD-CD1 3.89Å; I691-L694 PolarHBondContact O-N 2.82Å; I691-V695 WeakPolarHBondContact O-CG2 3.25Å; I691-V695 PolarHBondContact O-N 3.23Å
692L94.3Very high92.7Very high45 Ų4547.2 Ų47.224%0.23625%0.253CS..Hα-helixtrans-60.5-44.9173.1-161.272.8000111.1F555 M688 G689 L694 V695 F696F555-L692 HydrophobicContact CE2-CB 4.45Å; F555-L692 HydrophobicContact CE2-CD2 4.43Å; F555-L692 HydrophobicContact CZ-CB 4.23Å; F555-L692 HydrophobicContact CZ-CD2 3.97Å; F555-L692 HydrophobicContact CZ-CG 3.91Å; M688-L692 PolarHBondContact O-N 3.23Å; G689-L692 PolarHBondContact O-N 2.97Å; L692-L694 PolarHBondContact O-N 2.88Å; L692-V695 PolarHBondContact O-N 3.24Å; L692-F696 HydrophobicContact CD1-CD2 4.34Å; L692-F696 HydrophobicContact CD1-CE2 4.09Å; L692-F696 HydrophobicContact CG-CD2 4.05Å; L692-F696 HydrophobicContact CG-CE2 4.11Å; L692-F696 WeakPolarHBondContact O-CD2 3.35Å; L692-F696 PolarHBondContact O-N 2.93Å
693A95Very high93.2Very high0 Ų046.9 Ų46.90%024%0.24CC..Hα-helixtrans-60.6-42.7176.600000112.3I554 F555 G689 I690 F696 L697I554-A693 HydrophobicContact CB-CB 4.06Å; I554-A693 HydrophobicContact CD1-CB 4.1Å; I554-A693 HydrophobicContact CG2-CB 3.82Å; F555-A693 HydrophobicContact CD2-CB 4.07Å; F555-A693 HydrophobicContact CE2-CB 3.66Å; F555-A693 HydrophobicContact CZ-CB 4.32Å; G689-A693 VanDerWaalsContact O-CB 3.28Å; G689-A693 WeakPolarHBondContact O-CB 3.48Å; G689-A693 PolarHBondContact O-N 2.82Å; I690-A693 PolarHBondContact O-N 2.83Å; A693-F696 PolarHBondContact O-N 3.35Å; A693-L697 WeakPolarHBondContact O-CB 3.35Å; A693-L697 VanDerWaalsContact O-CG 3.27Å; A693-L697 WeakPolarHBondContact O-CG 3.26Å; A693-L697 PolarHBondContact O-N 2.87Å
694L94.9Very high93.8Very high76 Ų7645.4 Ų45.440%0.39822%0.222SC..Hα-helixtrans-64.4-38.3174.8-71.9168.2000112.8I690 I691 L692 L697 V698 L788I690-L694 WeakPolarHBondContact O-CG 3.3Å; I690-L694 PolarHBondContact O-N 3.5Å; I691-L694 PolarHBondContact O-N 2.82Å; L692-L694 PolarHBondContact O-N 2.88Å; L694-L697 HydrophobicContact CD2-CD1 4.1Å; L694-V698 PolarHBondContact O-N 3.01Å; L694-L788 HydrophobicContact CD2-CD1 3.96Å; L694-L788 HydrophobicContact CD2-CD2 3.96Å
695V95.7Very high93.9Very high74 Ų7450.3 Ų50.345%0.44824%0.243SC..Hα-helixtrans-64.7-47.1172.11700000110.6I691 L692 L697 V698 L699I691-V695 WeakPolarHBondContact O-CG2 3.25Å; I691-V695 PolarHBondContact O-N 3.23Å; L692-V695 PolarHBondContact O-N 3.24Å; V695-L697 VanDerWaalsContact C-N 3.34Å; V695-L697 PolarHBondContact O-N 3.41Å; V695-V698 PolarHBondContact O-N 3.49Å; V695-V698 VanDerWaalsContact O-N 3.1Å; V695-L699 HydrophobicContact CG1-CD1 3.8Å; V695-L699 HydrophobicContact CG1-CG 4.13Å; V695-L699 WeakPolarHBondContact O-CG 3.29Å; V695-L699 PolarHBondContact O-N 3.15Å
696F96.2Very high94Very high49 Ų4949.5 Ų49.522%0.21524%0.24CC..Hα-helixtrans-67-30.7179.5-90-96.8000113.4F555 L558 L692 A693 V698 L699 V700 L744 L747F555-F696 HydrophobicContact CE1-CB 3.69Å; F555-F696 HydrophobicContact CE1-CD1 4.05Å; F555-F696 AromaticContact CE1-CD2 3.86Å; F555-F696 HydrophobicContact CE1-CD2 3.86Å; F555-F696 AromaticContact CE1-CG 3.58Å; F555-F696 HydrophobicContact CE1-CG 3.58Å; F555-F696 HydrophobicContact CZ-CB 4.07Å; F555-F696 AromaticContact CZ-CD2 3.95Å; F555-F696 HydrophobicContact CZ-CD2 3.95Å; F555-F696 HydrophobicContact CZ-CG 4.06Å; L558-F696 HydrophobicContact CD1-CB 4.36Å; L692-F696 HydrophobicContact CD1-CD2 4.34Å; L692-F696 HydrophobicContact CD1-CE2 4.09Å; L692-F696 HydrophobicContact CG-CD2 4.05Å; L692-F696 HydrophobicContact CG-CE2 4.11Å; L692-F696 WeakPolarHBondContact O-CD2 3.35Å; L692-F696 PolarHBondContact O-N 2.93Å; A693-F696 PolarHBondContact O-N 3.35Å; F696-V698 VanDerWaalsContact C-N 3.27Å; F696-V698 PolarHBondContact O-N 3.5Å; F696-L699 HydrophobicContact CD2-CD1 4.49Å; F696-L699 PolarHBondContact O-N 2.85Å; F696-V700 WeakPolarHBondContact O-CB 3.44Å; F696-V700 WeakPolarHBondContact O-CG2 3.23Å; F696-V700 PolarHBondContact O-N 2.72Å; F696-L744 HydrophobicContact CD1-CD2 3.69Å; F696-L744 HydrophobicContact CE1-CD2 4.28Å; F696-L747 HydrophobicContact CD1-CD1 4.22Å; F696-L747 HydrophobicContact CE1-CD1 3.56Å; F696-L747 HydrophobicContact CE2-CD1 4.14Å; F696-L747 HydrophobicContact CZ-CD1 3.51Å
697L94.8Very high94.1Very high9 Ų950.5 Ų50.55%0.04725%0.246CC..Hα-helixtrans-57.2-40.1169.3-81.3164.4000112.3I554 L558 A693 L694 V695 W701 S784 I787 L788I554-L697 HydrophobicContact CD1-CD1 4.05Å; I554-L697 HydrophobicContact CG1-CD1 4.33Å; I554-L697 HydrophobicContact CG2-CD1 3.63Å; I554-L697 HydrophobicContact CG2-CD2 3.82Å; I554-L697 HydrophobicContact CG2-CG 3.5Å; I554-L697 VanDerWaalsContact CG2-CG 3.5Å; L558-L697 HydrophobicContact CD1-CD2 4.02Å; L558-L697 HydrophobicContact CD1-CG 4.09Å; L558-L697 HydrophobicContact CD2-CD2 4.09Å; L558-L697 HydrophobicContact CG-CD2 4.19Å; A693-L697 WeakPolarHBondContact O-CB 3.35Å; A693-L697 VanDerWaalsContact O-CG 3.27Å; A693-L697 WeakPolarHBondContact O-CG 3.26Å; A693-L697 PolarHBondContact O-N 2.87Å; L694-L697 HydrophobicContact CD2-CD1 4.1Å; V695-L697 VanDerWaalsContact C-N 3.34Å; V695-L697 PolarHBondContact O-N 3.41Å; L697-W701 VanDerWaalsContact O-CB 3.22Å; L697-W701 WeakPolarHBondContact O-CB 3.3Å; L697-W701 PolarHBondContact O-N 2.64Å; L697-W701 VanDerWaalsContact O-N 3.14Å; L697-S784 VanDerWaalsContact CD2-O 3.26Å; L697-S784 WeakPolarHBondContact CD2-O 3.34Å; L697-S784 WeakPolarHBondContact O-CB 3.35Å; L697-S784 PolarHBondContact O-OG 2.88Å; L697-I787 HydrophobicContact CD2-CB 4.34Å; L697-I787 HydrophobicContact CD2-CG2 4.09Å; L697-L788 HydrophobicContact CD1-CB 3.92Å; L697-L788 HydrophobicContact CD1-CD1 4.03Å; L697-L788 HydrophobicContact CD1-CD2 4.41Å; L697-L788 HydrophobicContact CD1-CG 4.34Å
698V95.2Very high94Very high90 Ų9051.7 Ų51.755%0.54525%0.253SS..Hα-helixtrans-77.2-41.7176.3178.70000111.4L694 V695 F696 W701 F702L694-V698 PolarHBondContact O-N 3.01Å; V695-V698 PolarHBondContact O-N 3.49Å; V695-V698 VanDerWaalsContact O-N 3.1Å; F696-V698 VanDerWaalsContact C-N 3.27Å; F696-V698 PolarHBondContact O-N 3.5Å; V698-W701 PolarHBondContact O-N 3.29Å; V698-F702 WeakPolarHBondContact O-CB 3.42Å; V698-F702 PolarHBondContact O-N 3.38Å
699L95.1Very high94Very high92 Ų9250.7 Ų50.748%0.48225%0.249SC..Hα-helixtrans-64-45177.9-68175.7000112.1V695 F696 F702 L703V695-L699 HydrophobicContact CG1-CD1 3.8Å; V695-L699 HydrophobicContact CG1-CG 4.13Å; V695-L699 WeakPolarHBondContact O-CG 3.29Å; V695-L699 PolarHBondContact O-N 3.15Å; F696-L699 HydrophobicContact CD2-CD1 4.49Å; F696-L699 PolarHBondContact O-N 2.85Å; L699-F702 PolarHBondContact O-N 2.91Å; L699-L703 VanDerWaalsContact O-CB 3.3Å; L699-L703 WeakPolarHBondContact O-CB 3.33Å; L699-L703 PolarHBondContact O-N 3.44Å
700V94.8Very high94Very high8 Ų850.7 Ų50.75%0.04825%0.249CC..Hα-helixtrans-71-35.2177.2179.50000110.9L558 V562 F696 M704 L744L558-V700 HydrophobicContact CD1-CG2 4.3Å; L558-V700 HydrophobicContact CD2-CB 3.93Å; L558-V700 HydrophobicContact CD2-CG1 3.86Å; L558-V700 HydrophobicContact CD2-CG2 4.42Å; V562-V700 HydrophobicContact CG2-CG1 3.86Å; F696-V700 WeakPolarHBondContact O-CB 3.44Å; F696-V700 WeakPolarHBondContact O-CG2 3.23Å; F696-V700 PolarHBondContact O-N 2.72Å; V700-M704 HydrophobicContact CG1-CG 3.89Å; V700-M704 WeakPolarHBondContact O-CB 3.38Å; V700-M704 VanDerWaalsContact O-CG 3.24Å; V700-M704 WeakPolarHBondContact O-CG 3.45Å; V700-M704 PolarHBondContact O-N 3.11Å; V700-L744 HydrophobicContact CG2-CD1 4.04Å; V700-L744 HydrophobicContact CG2-CD2 3.9Å
701W94.4Very high93.9Very high116 Ų11650.3 Ų50.344%0.43925%0.247SC..Hα-helixtrans-59.1-47169.2171.384.8000111.6L697 V698 M704 K705L697-W701 VanDerWaalsContact O-CB 3.22Å; L697-W701 WeakPolarHBondContact O-CB 3.3Å; L697-W701 PolarHBondContact O-N 2.64Å; L697-W701 VanDerWaalsContact O-N 3.14Å; V698-W701 PolarHBondContact O-N 3.29Å; W701-M704 PolarHBondContact O-N 2.7Å; W701-K705 VanDerWaalsContact O-CB 3.3Å; W701-K705 WeakPolarHBondContact O-CB 3.45Å; W701-K705 PolarHBondContact O-N 2.92Å
702F94.4Very high93.9Very high85 Ų8547.6 Ų47.637%0.37323%0.233SC..Hα-helixtrans-64.9-47.1179.5-175.2-89.2000111.1I365 V698 L699 R706 T707I365-F702 HydrophobicContact CD1-CZ 4Å; I365-F702 HydrophobicContact CG1-CE1 4.33Å; I365-F702 HydrophobicContact CG1-CZ 4.06Å; I365-F702 HydrophobicContact CG2-CZ 4.11Å; V698-F702 WeakPolarHBondContact O-CB 3.42Å; V698-F702 PolarHBondContact O-N 3.38Å; L699-F702 PolarHBondContact O-N 2.91Å; F702-R706 HydrophobicContact CD1-CB 4.4Å; F702-R706 HydrophobicContact CD2-CB 3.78Å; F702-R706 HydrophobicContact CD2-CG 3.8Å; F702-R706 HydrophobicContact CE1-CB 4.33Å; F702-R706 HydrophobicContact CE2-CB 3.7Å; F702-R706 HydrophobicContact CE2-CG 3.95Å; F702-R706 HydrophobicContact CG-CB 4.14Å; F702-R706 HydrophobicContact CG-CG 4.45Å; F702-R706 HydrophobicContact CZ-CB 3.98Å; F702-R706 VanDerWaalsContact O-CA 3.29Å; F702-R706 WeakPolarHBondContact O-CA 3.43Å; F702-R706 VanDerWaalsContact O-CB 3.24Å; F702-R706 WeakPolarHBondContact O-CB 3.33Å; F702-R706 PolarHBondContact O-N 2.85Å; F702-T707 HydrophobicContact CD1-CG2 4.06Å; F702-T707 HydrophobicContact CE1-CG2 3.92Å; F702-T707 PolarHBondContact O-N 3.42Å
703L94.8Very high93.9Very high38 Ų3845.5 Ų45.520%0.19922%0.222CC..Hα-helixtrans-51-6217217969.3000110.3L699 K705 T707 L709 G710 I740L699-L703 VanDerWaalsContact O-CB 3.3Å; L699-L703 WeakPolarHBondContact O-CB 3.33Å; L699-L703 PolarHBondContact O-N 3.44Å; L703-K705 VanDerWaalsContact C-N 3.35Å; L703-K705 PolarHBondContact O-N 3.02Å; L703-T707 HydrophobicContact CD1-CG2 4.45Å; L703-T707 PolarHBondContact O-N 2.87Å; L703-T707 PolarHBondContact O-OG1 3.39Å; L703-L709 HydrophobicContact CD1-CD2 4.24Å; L703-G710 WeakPolarHBondContact O-CA 3.19Å; L703-I740 HydrophobicContact CD2-CD1 4.32Å; L703-I740 HydrophobicContact CD2-CG2 4.44Å
704M93.7Very high93.8Very high13 Ų1346.6 Ų46.66%0.06423%0.226CC..Hα-helixtrans-70.7-21.5-171-68.2-57.4-57.500114.9V562 V700 W701 I713 R714V562-M704 HydrophobicContact CG1-SD 4.46Å; V562-M704 HydrophobicContact CG2-CG 4.4Å; V562-M704 HydrophobicContact CG2-SD 4.18Å; V700-M704 HydrophobicContact CG1-CG 3.89Å; V700-M704 WeakPolarHBondContact O-CB 3.38Å; V700-M704 VanDerWaalsContact O-CG 3.24Å; V700-M704 WeakPolarHBondContact O-CG 3.45Å; V700-M704 PolarHBondContact O-N 3.11Å; W701-M704 PolarHBondContact O-N 2.7Å; M704-I713 HydrophobicContact CE-CB 4.27Å; M704-I713 HydrophobicContact CE-CG2 3.71Å; M704-I713 HydrophobicContact SD-CD1 4.21Å; M704-I713 HydrophobicContact SD-CG2 4.25Å; M704-R714 HydrophobicContact CE-CG 4.19Å; M704-R714 PolarHBondContact O-NH1 3.34Å
705K90Very high93.6Very high104 Ų10443 Ų4345%0.45221%0.207SC..Hα-helixtrans-114.8-24.6-178.4-62.2-62.3-175.4-178.10114.9Y368 W701 L703Y368-K705 VanDerWaalsContact CE2-O 3.26Å; Y368-K705 WeakPolarHBondContact CE2-O 2.99Å; Y368-K705 PolarHBondContact OH-O 2.68Å; W701-K705 VanDerWaalsContact O-CB 3.3Å; W701-K705 WeakPolarHBondContact O-CB 3.45Å; W701-K705 PolarHBondContact O-N 2.92Å; L703-K705 VanDerWaalsContact C-N 3.35Å; L703-K705 PolarHBondContact O-N 3.02Å
706R91.2Very high93.3Very high99 Ų9939.7 Ų39.737%0.37419%0.187SC..Hα-helixtrans-115.5-12.6-175-59.5-61.2-169.5173.72.8115.2I365 L366 F702I365-R706 CarbonylContact C-O 3.56Å; I365-R706 WeakPolarHBondContact CA-O 3.44Å; L366-R706 PolarHBondContact N-O 3.47Å; F702-R706 HydrophobicContact CD1-CB 4.4Å; F702-R706 HydrophobicContact CD2-CB 3.78Å; F702-R706 HydrophobicContact CD2-CG 3.8Å; F702-R706 HydrophobicContact CE1-CB 4.33Å; F702-R706 HydrophobicContact CE2-CB 3.7Å; F702-R706 HydrophobicContact CE2-CG 3.95Å; F702-R706 HydrophobicContact CG-CB 4.14Å; F702-R706 HydrophobicContact CG-CG 4.45Å; F702-R706 HydrophobicContact CZ-CB 3.98Å; F702-R706 VanDerWaalsContact O-CA 3.29Å; F702-R706 WeakPolarHBondContact O-CA 3.43Å; F702-R706 VanDerWaalsContact O-CB 3.24Å; F702-R706 WeakPolarHBondContact O-CB 3.33Å; F702-R706 PolarHBondContact O-N 2.85Å
707T94.6Very high92.8Very high22 Ų2238.6 Ų38.614%0.13519%0.189CC..BIsolated β-bridgetrans-100.7156.7178.973.10000113.5G364 F702 L703 L709 G710 F711G364-T707 CarbonylContact O-C 3.48Å; G364-T707 WeakPolarHBondContact O-CA 3.4Å; F702-T707 HydrophobicContact CD1-CG2 4.06Å; F702-T707 HydrophobicContact CE1-CG2 3.92Å; F702-T707 PolarHBondContact O-N 3.42Å; L703-T707 HydrophobicContact CD1-CG2 4.45Å; L703-T707 PolarHBondContact O-N 2.87Å; L703-T707 PolarHBondContact O-OG1 3.39Å; T707-L709 VanDerWaalsContact C-N 3.33Å; T707-G710 PolarHBondContact O-N 3.05Å; T707-G710 PolarHBondContact OG1-N 2.8Å; T707-F711 PolarHBondContact O-N 3.09Å; T707-F711 VanDerWaalsContact O-N 3.13Å
708T92.3Very high92.4Very high28 Ų2842.1 Ų42.117%0.17221%0.208CC..Hα-helixtrans-59.3-41.7170.350.40000111.8Y355 G364 L366 G710 F711 E712Y355-T708 HydrophobicContact CD2-CG2 4.1Å; Y355-T708 HydrophobicContact CE2-CG2 4.22Å; G364-T708 PolarHBondContact O-N 2.53Å; G364-T708 PolarHBondContact O-OG1 2.89Å; L366-T708 HydrophobicContact CD2-CG2 4.2Å; L366-T708 HydrophobicContact CG-CG2 4.38Å; T708-G710 PolarHBondContact O-N 3.04Å; T708-F711 CarbonylContact O-C 3.49Å; T708-F711 WeakPolarHBondContact O-CA 3.3Å; T708-F711 WeakPolarHBondContact O-CB 3.44Å; T708-F711 PolarHBondContact O-N 3.02Å; T708-F711 VanDerWaalsContact O-N 3.08Å; T708-E712 PolarHBondContact O-N 3.01Å
709L92.7Very high91.9Very high39 Ų3938.7 Ų38.720%0.20419%0.187CC..Hα-helixtrans-61.4-43.1175.4176.457.8000111.7L703 T707 F711 E712 I713 I736 I740L703-L709 HydrophobicContact CD1-CD2 4.24Å; T707-L709 VanDerWaalsContact C-N 3.33Å; L709-F711 PolarHBondContact O-N 2.94Å; L709-E712 PolarHBondContact O-N 3.18Å; L709-I713 HydrophobicContact CD1-CD1 4.12Å; L709-I713 HydrophobicContact CD1-CG1 4.18Å; L709-I713 HydrophobicContact CG-CD1 4.04Å; L709-I713 VanDerWaalsContact O-CG1 3.24Å; L709-I713 WeakPolarHBondContact O-CG1 2.94Å; L709-I713 PolarHBondContact O-N 3.41Å; L709-I736 HydrophobicContact CD1-CG2 4.02Å; L709-I736 HydrophobicContact CD2-CG2 4.04Å; L709-I740 HydrophobicContact CD2-CD1 4.36Å
710G92.6Very high91.3Very high0 Ų036.8 Ų36.80%018%0.18CC..Hα-helixtrans-61.4-30.9173.900000113.4L703 T707 T708 R714L703-G710 WeakPolarHBondContact O-CA 3.19Å; T707-G710 PolarHBondContact O-N 3.05Å; T707-G710 PolarHBondContact OG1-N 2.8Å; T708-G710 PolarHBondContact O-N 3.04Å; G710-R714 VanDerWaalsContact O-CG 3.31Å; G710-R714 WeakPolarHBondContact O-CG 3.21Å; G710-R714 PolarHBondContact O-N 3.02Å; G710-R714 VanDerWaalsContact O-N 3.16Å
711F92.1Very high90.6Very high5 Ų541.1 Ų41.12%0.02220%0.198CC..Hα-helixtrans-75.6-40.1173179.9-97.6000112.6L344 E348 L352 Y355 L366 T707 T708 L709 I713 R714 S715 M728L344-F711 HydrophobicContact CD1-CE2 4.22Å; E348-F711 HydrophobicContact CB-CE2 4.06Å; E348-F711 HydrophobicContact CG-CE2 4.11Å; E348-F711 WeakPolarHBondContact OE2-CE2 3.18Å; L352-F711 HydrophobicContact CD1-CE1 4.01Å; L352-F711 HydrophobicContact CD1-CZ 3.92Å; Y355-F711 HydrophobicContact CD1-CD1 4.05Å; Y355-F711 AromaticContact CD1-CE1 3.6Å; Y355-F711 HydrophobicContact CD1-CE1 3.6Å; Y355-F711 AromaticContact CD2-CD1 3.49Å; Y355-F711 HydrophobicContact CD2-CD1 3.49Å; Y355-F711 VanDerWaalsContact CD2-CD1 3.49Å; Y355-F711 AromaticContact CD2-CE1 3.88Å; Y355-F711 HydrophobicContact CD2-CE1 3.88Å; Y355-F711 HydrophobicContact CD2-CG 4.39Å; Y355-F711 HydrophobicContact CE1-CD1 4.23Å; Y355-F711 AromaticContact CE1-CE1 4Å; Y355-F711 HydrophobicContact CE1-CE1 4Å; Y355-F711 AromaticContact CE2-CD1 3.7Å; Y355-F711 HydrophobicContact CE2-CD1 3.7Å; Y355-F711 HydrophobicContact CE2-CE1 4.26Å; Y355-F711 AromaticContact CG-CD1 3.7Å; Y355-F711 HydrophobicContact CG-CD1 3.7Å; Y355-F711 AromaticContact CG-CE1 3.55Å; Y355-F711 HydrophobicContact CG-CE1 3.55Å; L366-F711 HydrophobicContact CD1-CB 3.64Å; L366-F711 HydrophobicContact CD1-CD2 4.39Å; L366-F711 HydrophobicContact CD1-CG 4.14Å; T707-F711 PolarHBondContact O-N 3.09Å; T707-F711 VanDerWaalsContact O-N 3.13Å; T708-F711 CarbonylContact O-C 3.49Å; T708-F711 WeakPolarHBondContact O-CA 3.3Å; T708-F711 WeakPolarHBondContact O-CB 3.44Å; T708-F711 PolarHBondContact O-N 3.02Å; T708-F711 VanDerWaalsContact O-N 3.08Å; L709-F711 PolarHBondContact O-N 2.94Å; F711-I713 VanDerWaalsContact C-N 3.31Å; F711-I713 PolarHBondContact O-N 3.43Å; F711-R714 PolarHBondContact O-N 2.96Å; F711-S715 WeakPolarHBondContact O-CB 3.47Å; F711-S715 PolarHBondContact O-N 2.97Å; F711-S715 PolarHBondContact O-OG 3.23Å; F711-M728 HydrophobicContact CD1-CE 3.83Å; F711-M728 HydrophobicContact CE1-CE 3.51Å
712E93.6Very high90Very high8 Ų835.6 Ų35.64%0.03718%0.177CC..Hα-helixtrans-56-47170.7-69.7-174.5143.600110.7R321 Y355 T708 L709 S715 V716 M728 R732R321-E712 IonicContact CZ-OE1 3.66Å; R321-E712 IonicContact NH1-OE1 3.2Å; R321-E712 IonicContact NH2-OE1 3.88Å; R321-E712 PolarHBondContact NH2-OE1 3.47Å; Y355-E712 HydrophobicContact CE2-CG 4.4Å; Y355-E712 WeakPolarHBondContact OH-CG 3.36Å; Y355-E712 PolarHBondContact OH-OE1 3.32Å; T708-E712 PolarHBondContact O-N 3.01Å; L709-E712 PolarHBondContact O-N 3.18Å; E712-S715 PolarHBondContact O-N 3.01Å; E712-V716 WeakPolarHBondContact O-CG2 3.34Å; E712-V716 PolarHBondContact O-N 3.18Å; E712-M728 HydrophobicContact CB-SD 4.31Å; E712-M728 HydrophobicContact CG-CB 4.5Å; E712-M728 HydrophobicContact CG-CG 4.14Å; E712-M728 HydrophobicContact CG-SD 4.21Å; E712-R732 IonicContact OE1-NH1 3.19Å; E712-R732 IonicContact OE2-CZ 3.78Å; E712-R732 IonicContact OE2-NH1 2.76Å; E712-R732 PolarHBondContact OE2-NH1 2.87Å; E712-R732 IonicContact OE2-NH2 2.74Å
713I93.6Very high89.6Confident0 Ų031.6 Ų31.60%016%0.16CC..Hα-helixtrans-59-56.2178.4-67172.1000111.4S565 A566 M704 L709 F711 S715 V716 G717 T733 S737 I740S565-I713 VanDerWaalsContact O-O 3.06Å; A566-I713 HydrophobicContact CB-CG2 3.97Å; M704-I713 HydrophobicContact CE-CB 4.27Å; M704-I713 HydrophobicContact CE-CG2 3.71Å; M704-I713 HydrophobicContact SD-CD1 4.21Å; M704-I713 HydrophobicContact SD-CG2 4.25Å; L709-I713 HydrophobicContact CD1-CD1 4.12Å; L709-I713 HydrophobicContact CD1-CG1 4.18Å; L709-I713 HydrophobicContact CG-CD1 4.04Å; L709-I713 VanDerWaalsContact O-CG1 3.24Å; L709-I713 WeakPolarHBondContact O-CG1 2.94Å; L709-I713 PolarHBondContact O-N 3.41Å; F711-I713 VanDerWaalsContact C-N 3.31Å; F711-I713 PolarHBondContact O-N 3.43Å; I713-S715 VanDerWaalsContact C-N 3.28Å; I713-S715 PolarHBondContact O-N 3.42Å; I713-V716 PolarHBondContact O-N 2.93Å; I713-G717 PolarHBondContact O-N 3.41Å; I713-G717 VanDerWaalsContact O-N 3.14Å; I713-T733 HydrophobicContact CB-CG2 4.35Å; I713-T733 HydrophobicContact CG1-CG2 3.92Å; I713-S737 WeakPolarHBondContact CG1-OG 3.39Å; I713-I740 HydrophobicContact CD1-CD1 4.4Å
714R92.8Very high89.1Confident23 Ų2333 Ų339%0.08717%0.165CC..Hα-helixtrans-59.2-38.8179-69.2-170-34.7-111.715112.6E348 Y368 M704 G710 F711 L718E348-R714 IonicContact OE1-NH2 3.72Å; E348-R714 IonicContact OE2-CZ 2.71Å; E348-R714 IonicContact OE2-NH2 3.56Å; E348-R714 PolarHBondContact OE2-NH2 2.82Å; Y368-R714 PolarHBondContact OH-NH2 2.86Å; Y368-R714 VanDerWaalsContact OH-NH2 3.15Å; M704-R714 HydrophobicContact CE-CG 4.19Å; M704-R714 PolarHBondContact O-NH1 3.34Å; G710-R714 VanDerWaalsContact O-CG 3.31Å; G710-R714 WeakPolarHBondContact O-CG 3.21Å; G710-R714 PolarHBondContact O-N 3.02Å; G710-R714 VanDerWaalsContact O-N 3.16Å; F711-R714 PolarHBondContact O-N 2.96Å; R714-L718 WeakPolarHBondContact O-CB 3.37Å; R714-L718 WeakPolarHBondContact O-CD1 3.49Å; R714-L718 VanDerWaalsContact O-CG 3.23Å; R714-L718 WeakPolarHBondContact O-CG 3.46Å; R714-L718 PolarHBondContact O-N 3.46Å; R714-L718 VanDerWaalsContact O-N 3.17Å
715S90.6Very high88.7Confident0 Ų032.7 Ų32.70%016%0.163CC..Hα-helixtrans-67.4-50.9-176.3-61.90000110.3I341 F711 E712 I713 G717 L718 N719 S723 M728I341-S715 VanDerWaalsContact CD1-CB 3.46Å; F711-S715 WeakPolarHBondContact O-CB 3.47Å; F711-S715 PolarHBondContact O-N 2.97Å; F711-S715 PolarHBondContact O-OG 3.23Å; E712-S715 PolarHBondContact O-N 3.01Å; I713-S715 VanDerWaalsContact C-N 3.28Å; I713-S715 PolarHBondContact O-N 3.42Å; S715-G717 VanDerWaalsContact C-N 3.29Å; S715-G717 PolarHBondContact O-N 2.78Å; S715-L718 PolarHBondContact O-N 2.76Å; S715-L718 VanDerWaalsContact O-N 3.09Å; S715-N719 CarbonylContact O-C 3.53Å; S715-N719 PolarHBondContact O-N 3.17Å; S715-S723 WeakPolarHBondContact CB-OG 3.43Å; S715-S723 PolarHBondContact O-OG 3.06Å; S715-S723 VanDerWaalsContact O-OG 3.05Å; S715-M728 VanDerWaalsContact CB-SD 3.54Å
716V89.2Confident88.4Confident5 Ų527.7 Ų27.73%0.0314%0.142CC..Hα-helixtrans-60.5-39.2179.4170.50000111.4E712 I713 L718 P720 S723 M728 S730 T733E712-V716 WeakPolarHBondContact O-CG2 3.34Å; E712-V716 PolarHBondContact O-N 3.18Å; I713-V716 PolarHBondContact O-N 2.93Å; V716-L718 VanDerWaalsContact C-N 3.34Å; V716-L718 PolarHBondContact O-N 3.03Å; V716-P720 HydrophobicContact CG1-CB 4.37Å; V716-P720 WeakPolarHBondContact O-CD 3.37Å; V716-S723 WeakPolarHBondContact CA-OG 3.17Å; V716-S723 PolarHBondContact N-OG 3.4Å; V716-S723 VanDerWaalsContact N-OG 3.11Å; V716-M728 HydrophobicContact CG2-CB 4.34Å; V716-S730 WeakPolarHBondContact CG1-OG 3.38Å; V716-T733 HydrophobicContact CB-CG2 3.94Å; V716-T733 HydrophobicContact CG1-CG2 4.3Å; V716-T733 HydrophobicContact CG2-CG2 3.93Å
717G87.2Confident88Confident26 Ų2623.5 Ų23.527%0.26813%0.129SC..Hα-helixtrans-70.8-22.117700000115.5I713 S715I713-G717 PolarHBondContact O-N 3.41Å; I713-G717 VanDerWaalsContact O-N 3.14Å; S715-G717 VanDerWaalsContact C-N 3.29Å; S715-G717 PolarHBondContact O-N 2.78Å
718L85.5Confident87.9Confident83 Ų8322.5 Ų22.544%0.43512%0.123SC..Hα-helixtrans-95.3-35.5178.1-71.1172.5000113.1I341 P343 L344 R714 S715 V716I341-L718 HydrophobicContact CG2-CB 3.52Å; I341-L718 HydrophobicContact CG2-CD1 4.14Å; I341-L718 HydrophobicContact CG2-CG 4.49Å; P343-L718 HydrophobicContact CB-CD2 4.25Å; P343-L718 HydrophobicContact CG-CD2 4.23Å; L344-L718 HydrophobicContact CD2-CD1 3.63Å; L344-L718 HydrophobicContact CG-CD1 3.85Å; R714-L718 WeakPolarHBondContact O-CB 3.37Å; R714-L718 WeakPolarHBondContact O-CD1 3.49Å; R714-L718 VanDerWaalsContact O-CG 3.23Å; R714-L718 WeakPolarHBondContact O-CG 3.46Å; R714-L718 PolarHBondContact O-N 3.46Å; R714-L718 VanDerWaalsContact O-N 3.17Å; S715-L718 PolarHBondContact O-N 2.76Å; S715-L718 VanDerWaalsContact O-N 3.09Å; V716-L718 VanDerWaalsContact C-N 3.34Å; V716-L718 PolarHBondContact O-N 3.03Å
719N84.6Confident87.6Confident19 Ų1923.9 Ų23.910%0.10213%0.134CC..  trans-157.7104.2169.8-177.7-9.3000109.7H336 K337 L340 I341 S715 F721 A722 S723H336-N719 PolarHBondContact O-ND2 3.06Å; K337-N719 PolarHBondContact O-ND2 3.32Å; K337-N719 PolarHBondContact O-OD1 3.04Å; L340-N719 PolarHBondContact O-ND2 2.9Å; I341-N719 HydrophobicContact CG1-CB 4.28Å; I341-N719 HydrophobicContact CG2-CB 4.31Å; S715-N719 CarbonylContact O-C 3.53Å; S715-N719 PolarHBondContact O-N 3.17Å; N719-F721 PolarHBondContact OD1-N 2.97Å; N719-A722 HydrophobicContact CB-CB 4.11Å; N719-A722 VanDerWaalsContact ND2-CB 3.28Å; N719-A722 WeakPolarHBondContact ND2-CB 3.43Å; N719-A722 PolarHBondContact OD1-N 3.32Å; N719-A722 VanDerWaalsContact OD1-N 3.16Å; N719-S723 WeakPolarHBondContact O-CB 3.39Å; N719-S723 PolarHBondContact O-N 2.75Å; N719-S723 PolarHBondContact O-OG 3.45Å
720P81.8Confident87.2Confident51 Ų5122.8 Ų22.833%0.33113%0.13SC..Hα-helixtrans-69-34.6-179.127.3-33.8000112.4V716 S723 E724V716-P720 HydrophobicContact CG1-CB 4.37Å; V716-P720 WeakPolarHBondContact O-CD 3.37Å; P720-S723 WeakPolarHBondContact O-CB 3.31Å; P720-S723 PolarHBondContact O-N 3.39Å; P720-E724 PolarHBondContact O-N 3.29Å
721F80.6Confident87Confident100 Ų10027.3 Ų27.344%0.43915%0.149SC..Hα-helixtrans-66.9-47-178.8-64-69.2000111.8K337 Y338 N719 S723 E724 Y725K337-F721 HydrophobicContact CG-CB 3.87Å; K337-F721 HydrophobicContact CG-CD2 3.94Å; K337-F721 HydrophobicContact CG-CG 3.95Å; K337-F721 CarbonylContact O-C 3.46Å; K337-F721 VanDerWaalsContact O-CB 3.27Å; K337-F721 WeakPolarHBondContact O-CB 3.36Å; Y338-F721 HydrophobicContact CD1-CB 3.9Å; Y338-F721 HydrophobicContact CE1-CB 3.9Å; Y338-F721 HydrophobicContact CE1-CD1 4.23Å; Y338-F721 HydrophobicContact CE1-CG 4.41Å; N719-F721 PolarHBondContact OD1-N 2.97Å; F721-S723 PolarHBondContact O-N 3.2Å; F721-E724 PolarHBondContact O-N 3.29Å; F721-Y725 WeakPolarHBondContact O-CB 3.32Å; F721-Y725 PolarHBondContact O-N 2.84Å
722A81.5Confident87Confident0 Ų032.6 Ų32.60%017%0.169CC..Hα-helixtrans-64.6-28.4173.300000112.6K337 Y338 I341 N719 A726K337-A722 PolarHBondContact O-N 3.31Å; Y338-A722 VanDerWaalsContact O-CA 3.27Å; Y338-A722 WeakPolarHBondContact O-CA 3.4Å; Y338-A722 WeakPolarHBondContact O-CB 3.44Å; I341-A722 HydrophobicContact CG1-CB 3.92Å; N719-A722 HydrophobicContact CB-CB 4.11Å; N719-A722 VanDerWaalsContact ND2-CB 3.28Å; N719-A722 WeakPolarHBondContact ND2-CB 3.43Å; N719-A722 PolarHBondContact OD1-N 3.32Å; N719-A722 VanDerWaalsContact OD1-N 3.16Å; A722-A726 VanDerWaalsContact O-CB 3.26Å; A722-A726 WeakPolarHBondContact O-CB 3.38Å; A722-A726 PolarHBondContact O-N 3.34Å
723S87.5Confident86.9Confident0 Ų032.2 Ų32.20%017%0.167CC..Hα-helixtrans-74.8-40.4177.2-59.70000112.4S715 V716 N719 P720 F721 A726 G727 M728S715-S723 WeakPolarHBondContact CB-OG 3.43Å; S715-S723 PolarHBondContact O-OG 3.06Å; S715-S723 VanDerWaalsContact O-OG 3.05Å; V716-S723 WeakPolarHBondContact CA-OG 3.17Å; V716-S723 PolarHBondContact N-OG 3.4Å; V716-S723 VanDerWaalsContact N-OG 3.11Å; N719-S723 WeakPolarHBondContact O-CB 3.39Å; N719-S723 PolarHBondContact O-N 2.75Å; N719-S723 PolarHBondContact O-OG 3.45Å; P720-S723 WeakPolarHBondContact O-CB 3.31Å; P720-S723 PolarHBondContact O-N 3.39Å; F721-S723 PolarHBondContact O-N 3.2Å; S723-A726 CarbonylContact O-C 3.6Å; S723-A726 WeakPolarHBondContact O-CA 3.3Å; S723-A726 WeakPolarHBondContact O-CB 3.36Å; S723-A726 PolarHBondContact O-N 3.28Å; S723-A726 VanDerWaalsContact O-N 3.11Å; S723-G727 PolarHBondContact O-N 3.44Å; S723-M728 WeakPolarHBondContact O-CA 3.39Å; S723-M728 VanDerWaalsContact O-CB 3.23Å; S723-M728 WeakPolarHBondContact O-CB 3.3Å; S723-M728 WeakPolarHBondContact O-CG 3.46Å; S723-M728 PolarHBondContact O-N 3.05Å
724E84.4Confident86.7Confident69 Ų6933 Ų3332%0.32217%0.171SC..Hα-helixtrans-67.4-38.5173.5-71-171.3148.700111.7L300 P720 F721 A726 G727 M728 S730L300-E724 HydrophobicContact CD2-CB 4.21Å; P720-E724 PolarHBondContact O-N 3.29Å; F721-E724 PolarHBondContact O-N 3.29Å; E724-A726 VanDerWaalsContact C-N 3.27Å; E724-A726 PolarHBondContact O-N 2.98Å; E724-G727 WeakPolarHBondContact O-CA 3.43Å; E724-G727 PolarHBondContact O-N 3.29Å; E724-M728 WeakPolarHBondContact CA-O 3.23Å; E724-M728 WeakPolarHBondContact CG-O 3.37Å; E724-S730 WeakPolarHBondContact OE1-CB 3.16Å; E724-S730 PolarHBondContact OE1-N 3Å
725Y83.4Confident86.8Confident5 Ų532.9 Ų32.92%0.0217%0.173CC..Hα-helixtrans-60.9-32.3167.8158.4-82.5000112.8H330 P332 Y338 Q353 R408 E409 F721 G727H330-Y725 HydrophobicContact CB-CE2 4.29Å; H330-Y725 AromaticContact CE1-CD2 3.91Å; H330-Y725 AromaticContact CE1-CE2 3.89Å; H330-Y725 AromaticContact CG-CE2 3.88Å; H330-Y725 AromaticContact ND1-CD2 3.57Å; H330-Y725 AromaticContact ND1-CE2 3.37Å; H330-Y725 WeakPolarHBondContact ND1-CE2 3.48Å; H330-Y725 WeakPolarHBondContact O-CE2 3.42Å; H330-Y725 PolarHBondContact O-OH 3.18Å; P332-Y725 HydrophobicContact CB-CD2 4.34Å; P332-Y725 HydrophobicContact CB-CE2 4.02Å; P332-Y725 HydrophobicContact CG-CD2 4.29Å; P332-Y725 HydrophobicContact CG-CE2 3.72Å; Y338-Y725 WeakPolarHBondContact O-CD1 3.38Å; Y338-Y725 WeakPolarHBondContact O-CE1 3.43Å; Q353-Y725 VanDerWaalsContact NE2-CE1 3.27Å; Q353-Y725 PolarHBondContact NE2-O 3.15Å; R408-Y725 PolarHBondContact NH2-OH 2.99Å; E409-Y725 PolarHBondContact OE1-OH 3.5Å; E409-Y725 VanDerWaalsContact OE1-OH 3.14Å; F721-Y725 WeakPolarHBondContact O-CB 3.32Å; F721-Y725 PolarHBondContact O-N 2.84Å; Y725-G727 PolarHBondContact O-N 2.68Å
726A85.4Confident87Confident0 Ų035 Ų350%018%0.184CC..THydrogen-bonded Turntrans-80.813.2170.100000113.9L352 A722 S723 E724 M728L352-A726 HydrophobicContact CD1-CB 3.97Å; L352-A726 HydrophobicContact CD2-CB 4.32Å; L352-A726 HydrophobicContact CG-CB 3.74Å; A722-A726 VanDerWaalsContact O-CB 3.26Å; A722-A726 WeakPolarHBondContact O-CB 3.38Å; A722-A726 PolarHBondContact O-N 3.34Å; S723-A726 CarbonylContact O-C 3.6Å; S723-A726 WeakPolarHBondContact O-CA 3.3Å; S723-A726 WeakPolarHBondContact O-CB 3.36Å; S723-A726 PolarHBondContact O-N 3.28Å; S723-A726 VanDerWaalsContact O-N 3.11Å; E724-A726 VanDerWaalsContact C-N 3.27Å; E724-A726 PolarHBondContact O-N 2.98Å; A726-M728 VanDerWaalsContact C-N 3.28Å; A726-M728 HydrophobicContact CB-CE 4.06Å; A726-M728 HydrophobicContact CB-CG 4.39Å; A726-M728 PolarHBondContact O-N 2.99Å
727G83.1Confident87.3Confident11 Ų1134.8 Ų34.811%0.11318%0.182CC..THydrogen-bonded Turntrans69.218.9178.700000114.7R321 S723 E724 Y725R321-G727 VanDerWaalsContact CZ-O 3.3Å; R321-G727 PolarHBondContact NE-O 2.95Å; R321-G727 PolarHBondContact NH2-O 3.13Å; S723-G727 PolarHBondContact O-N 3.44Å; E724-G727 WeakPolarHBondContact O-CA 3.43Å; E724-G727 PolarHBondContact O-N 3.29Å; Y725-G727 PolarHBondContact O-N 2.68Å
728M90.8Very high87.6Confident1 Ų133.5 Ų33.51%0.00517%0.17CC..  trans-93.6114.4173.3-46.3175.6-172.500109.3L352 Y355 F711 E712 S715 V716 S723 E724 A726 S730L352-M728 HydrophobicContact CD1-CE 3.66Å; Y355-M728 HydrophobicContact CD1-CE 4.29Å; Y355-M728 HydrophobicContact CE1-CE 3.55Å; F711-M728 HydrophobicContact CD1-CE 3.83Å; F711-M728 HydrophobicContact CE1-CE 3.51Å; E712-M728 HydrophobicContact CB-SD 4.31Å; E712-M728 HydrophobicContact CG-CB 4.5Å; E712-M728 HydrophobicContact CG-CG 4.14Å; E712-M728 HydrophobicContact CG-SD 4.21Å; S715-M728 VanDerWaalsContact CB-SD 3.54Å; V716-M728 HydrophobicContact CG2-CB 4.34Å; S723-M728 WeakPolarHBondContact O-CA 3.39Å; S723-M728 VanDerWaalsContact O-CB 3.23Å; S723-M728 WeakPolarHBondContact O-CB 3.3Å; S723-M728 WeakPolarHBondContact O-CG 3.46Å; S723-M728 PolarHBondContact O-N 3.05Å; E724-M728 WeakPolarHBondContact CA-O 3.23Å; E724-M728 WeakPolarHBondContact CG-O 3.37Å; A726-M728 VanDerWaalsContact C-N 3.28Å; A726-M728 HydrophobicContact CB-CE 4.06Å; A726-M728 HydrophobicContact CB-CG 4.39Å; A726-M728 PolarHBondContact O-N 2.99Å; M728-S730 PolarHBondContact O-N 3.42Å; M728-S730 VanDerWaalsContact O-N 3.13Å
729S86.8Confident88.2Confident57 Ų5732.5 Ų32.540%0.39916%0.164SC..  trans-69.8111.6177.9172.30000110.9K731 R732 T733S729-K731 VanDerWaalsContact C-N 3.29Å; S729-K731 PolarHBondContact O-N 2.94Å; S729-R732 PolarHBondContact O-N 3.04Å; S729-R732 PolarHBondContact OG-N 3.25Å; S729-T733 PolarHBondContact O-N 3.45Å; S729-T733 PolarHBondContact O-OG1 3.08Å
730S84.8Confident88.8Confident16 Ų1633 Ų3311%0.11217%0.167CC..Hα-helixtrans-55.9-46178.1-176.50000111.2V716 E724 M728 R732 T733 I734V716-S730 WeakPolarHBondContact CG1-OG 3.38Å; E724-S730 WeakPolarHBondContact OE1-CB 3.16Å; E724-S730 PolarHBondContact OE1-N 3Å; M728-S730 PolarHBondContact O-N 3.42Å; M728-S730 VanDerWaalsContact O-N 3.13Å; S730-R732 PolarHBondContact O-N 2.93Å; S730-T733 PolarHBondContact O-N 2.67Å; S730-T733 VanDerWaalsContact O-N 3.08Å; S730-I734 WeakPolarHBondContact O-CG1 3.5Å; S730-I734 PolarHBondContact O-N 3.37Å
731K88.3Confident89.5Confident95 Ų9530.6 Ų30.641%0.41315%0.151SC..Hα-helixtrans-55-49.6177.3-61.4-168173-148.70113A623 S729 T733 I734 V735A623-K731 HydrophobicContact CB-CB 4.13Å; A623-K731 WeakPolarHBondContact O-CD 3.22Å; A623-K731 WeakPolarHBondContact O-CE 3.32Å; A623-K731 WeakPolarHBondContact O-CG 3.43Å; A623-K731 PolarHBondContact O-NZ 3.16Å; A623-K731 VanDerWaalsContact O-NZ 3.11Å; S729-K731 VanDerWaalsContact C-N 3.29Å; S729-K731 PolarHBondContact O-N 2.94Å; K731-T733 VanDerWaalsContact C-N 3.34Å; K731-T733 PolarHBondContact O-N 2.73Å; K731-I734 PolarHBondContact O-N 2.86Å; K731-V735 WeakPolarHBondContact O-CG2 3.29Å; K731-V735 PolarHBondContact O-N 2.99Å; K731-V735 VanDerWaalsContact O-N 3.16Å
732R91.5Very high90.2Very high116 Ų11625.9 Ų25.944%0.43813%0.13SC..Hα-helixtrans-60.7-43.7175.4173.1177.6163.3-86.83.1111.2E712 S729 S730 V735 I736E712-R732 IonicContact OE1-NH1 3.19Å; E712-R732 IonicContact OE2-CZ 3.78Å; E712-R732 IonicContact OE2-NH1 2.76Å; E712-R732 PolarHBondContact OE2-NH1 2.87Å; E712-R732 IonicContact OE2-NH2 2.74Å; S729-R732 PolarHBondContact O-N 3.04Å; S729-R732 PolarHBondContact OG-N 3.25Å; S730-R732 PolarHBondContact O-N 2.93Å; R732-V735 PolarHBondContact O-N 3.22Å; R732-I736 HydrophobicContact CG-CD1 3.62Å; R732-I736 HydrophobicContact CG-CG1 4.37Å; R732-I736 WeakPolarHBondContact O-CB 3.39Å; R732-I736 WeakPolarHBondContact O-CG1 3.47Å; R732-I736 PolarHBondContact O-N 2.59Å
733T91.7Very high91Very high0 Ų027.8 Ų27.80%014%0.142CC..Hα-helixtrans-66.2-40-178-57.20000112.1I713 V716 S729 S730 K731 S737I713-T733 HydrophobicContact CB-CG2 4.35Å; I713-T733 HydrophobicContact CG1-CG2 3.92Å; V716-T733 HydrophobicContact CB-CG2 3.94Å; V716-T733 HydrophobicContact CG1-CG2 4.3Å; V716-T733 HydrophobicContact CG2-CG2 3.93Å; S729-T733 PolarHBondContact O-N 3.45Å; S729-T733 PolarHBondContact O-OG1 3.08Å; S730-T733 PolarHBondContact O-N 2.67Å; S730-T733 VanDerWaalsContact O-N 3.08Å; K731-T733 VanDerWaalsContact C-N 3.34Å; K731-T733 PolarHBondContact O-N 2.73Å; T733-S737 VanDerWaalsContact O-CB 3.24Å; T733-S737 WeakPolarHBondContact O-CB 3.14Å; T733-S737 PolarHBondContact O-N 3.15Å; T733-S737 PolarHBondContact O-OG 3.33Å
734I90Very high91.5Very high16 Ų1628 Ų288%0.08214%0.143CC..Hα-helixtrans-61.3-51.3174.1-68.7164.2000110.6F568 R622 A623 S730 K731 I736 S737 M738F568-I734 HydrophobicContact CE1-CB 4.37Å; F568-I734 HydrophobicContact CE1-CG1 4.34Å; F568-I734 HydrophobicContact CE1-CG2 4.07Å; F568-I734 HydrophobicContact CZ-CG2 4.42Å; R622-I734 HydrophobicContact CG-CG2 4.42Å; A623-I734 HydrophobicContact CB-CG2 4.39Å; S730-I734 WeakPolarHBondContact O-CG1 3.5Å; S730-I734 PolarHBondContact O-N 3.37Å; K731-I734 PolarHBondContact O-N 2.86Å; I734-I736 PolarHBondContact O-N 2.87Å; I734-S737 PolarHBondContact O-N 3.35Å; I734-M738 WeakPolarHBondContact O-CB 3.47Å; I734-M738 PolarHBondContact O-N 2.94Å
735V93.7Very high92.1Very high21 Ų2124.7 Ų24.713%0.12713%0.127CC..Hα-helixtrans-60.3-47.5-180173.80000111.2L620 A623 K731 R732 M738 I739L620-V735 HydrophobicContact CD2-CG1 4.2Å; L620-V735 HydrophobicContact CD2-CG2 3.94Å; L620-V735 HydrophobicContact CG-CG2 4.39Å; A623-V735 HydrophobicContact CB-CG2 3.66Å; K731-V735 WeakPolarHBondContact O-CG2 3.29Å; K731-V735 PolarHBondContact O-N 2.99Å; K731-V735 VanDerWaalsContact O-N 3.16Å; R732-V735 PolarHBondContact O-N 3.22Å; V735-M738 PolarHBondContact O-N 2.87Å; V735-I739 HydrophobicContact CG1-CD1 3.75Å; V735-I739 HydrophobicContact CG1-CG1 4.49Å; V735-I739 WeakPolarHBondContact O-CB 3.41Å; V735-I739 VanDerWaalsContact O-CG1 3.3Å; V735-I739 WeakPolarHBondContact O-CG1 3.46Å; V735-I739 PolarHBondContact O-N 3.44Å
736I95.1Very high92.7Very high44 Ų4424.4 Ų24.423%0.22613%0.126CC..Hα-helixtrans-65.2-42.6179.3-68.8174.3000111.4L709 R732 I734 M738 I739 I740L709-I736 HydrophobicContact CD1-CG2 4.02Å; L709-I736 HydrophobicContact CD2-CG2 4.04Å; R732-I736 HydrophobicContact CG-CD1 3.62Å; R732-I736 HydrophobicContact CG-CG1 4.37Å; R732-I736 WeakPolarHBondContact O-CB 3.39Å; R732-I736 WeakPolarHBondContact O-CG1 3.47Å; R732-I736 PolarHBondContact O-N 2.59Å; I734-I736 PolarHBondContact O-N 2.87Å; I736-M738 VanDerWaalsContact C-N 3.32Å; I736-M738 PolarHBondContact O-N 2.91Å; I736-I739 PolarHBondContact O-N 3.33Å; I736-I740 HydrophobicContact CG2-CD1 3.63Å; I736-I740 HydrophobicContact CG2-CG1 4.37Å; I736-I740 WeakPolarHBondContact O-CD1 3.43Å; I736-I740 VanDerWaalsContact O-CG1 3.27Å; I736-I740 WeakPolarHBondContact O-CG1 3.22Å; I736-I740 PolarHBondContact O-N 3.05Å
737S95.2Very high93.3Very high0 Ų024.7 Ų24.70%013%0.128CC..Hα-helixtrans-62.5-40.7178-57.10000111.7A566 I713 T733 I734 I740 S741A566-S737 WeakPolarHBondContact CB-OG 3.35Å; I713-S737 WeakPolarHBondContact CG1-OG 3.39Å; T733-S737 VanDerWaalsContact O-CB 3.24Å; T733-S737 WeakPolarHBondContact O-CB 3.14Å; T733-S737 PolarHBondContact O-N 3.15Å; T733-S737 PolarHBondContact O-OG 3.33Å; I734-S737 PolarHBondContact O-N 3.35Å; S737-I740 PolarHBondContact O-N 2.95Å; S737-S741 VanDerWaalsContact O-CB 3.27Å; S737-S741 WeakPolarHBondContact O-CB 3.39Å; S737-S741 PolarHBondContact O-N 3.17Å
738M95Very high93.9Very high0 Ų024.2 Ų24.20%012%0.122CC..Hα-helixtrans-68.9-41.7177.3-169.467.993.400111.5F568 N570 A615 P618 E629 I734 V735 I736 I740 S741 G742F568-M738 HydrophobicContact CD2-CE 3.9Å; F568-M738 HydrophobicContact CE2-CB 4.18Å; F568-M738 HydrophobicContact CE2-CE 3.46Å; F568-M738 VanDerWaalsContact CE2-CE 3.46Å; F568-M738 HydrophobicContact CE2-SD 3.73Å; F568-M738 HydrophobicContact CZ-CB 4.01Å; F568-M738 HydrophobicContact CZ-CE 4.36Å; N570-M738 HydrophobicContact CB-SD 3.92Å; A615-M738 HydrophobicContact CB-CG 3.95Å; A615-M738 WeakPolarHBondContact CB-O 3.12Å; A615-M738 HydrophobicContact CB-SD 4.44Å; A615-M738 WeakPolarHBondContact O-CG 3.38Å; P618-M738 HydrophobicContact CB-CE 4.24Å; P618-M738 HydrophobicContact CG-CE 4.27Å; P618-M738 HydrophobicContact CG-CG 4.48Å; E629-M738 HydrophobicContact CB-CE 4.27Å; I734-M738 WeakPolarHBondContact O-CB 3.47Å; I734-M738 PolarHBondContact O-N 2.94Å; V735-M738 PolarHBondContact O-N 2.87Å; I736-M738 VanDerWaalsContact C-N 3.32Å; I736-M738 PolarHBondContact O-N 2.91Å; M738-I740 PolarHBondContact O-N 3.07Å; M738-S741 WeakPolarHBondContact O-CB 3.11Å; M738-S741 PolarHBondContact O-N 2.92Å; M738-G742 PolarHBondContact O-N 3.08Å
739I96.6Very high94.1Very high61 Ų6124.2 Ų24.231%0.31312%0.123SC..Hα-helixtrans-59.1-45.6173.3-75.2169.8000111.2A612 A616 V735 I736 S741 G742 T743A612-I739 HydrophobicContact CB-CG2 4.32Å; A616-I739 HydrophobicContact CB-CD1 4.29Å; A616-I739 HydrophobicContact CB-CG1 3.93Å; V735-I739 HydrophobicContact CG1-CD1 3.75Å; V735-I739 HydrophobicContact CG1-CG1 4.49Å; V735-I739 WeakPolarHBondContact O-CB 3.41Å; V735-I739 VanDerWaalsContact O-CG1 3.3Å; V735-I739 WeakPolarHBondContact O-CG1 3.46Å; V735-I739 PolarHBondContact O-N 3.44Å; I736-I739 PolarHBondContact O-N 3.33Å; I739-S741 VanDerWaalsContact C-N 3.34Å; I739-G742 PolarHBondContact O-N 3.16Å; I739-T743 WeakPolarHBondContact O-CB 3.34Å; I739-T743 PolarHBondContact O-N 3.38Å; I739-T743 PolarHBondContact O-OG1 3.04Å
740I96.9Very high94.6Very high31 Ų3121.6 Ų21.616%0.15910%0.104CC..Hα-helixtrans-64.3-41.6176.4-66.2161.8000110.4V562 L703 L709 I713 I736 S737 M738 G742 T743 L744V562-I740 HydrophobicContact CB-CG2 4.41Å; V562-I740 HydrophobicContact CG1-CB 4.15Å; V562-I740 HydrophobicContact CG1-CG2 3.92Å; V562-I740 HydrophobicContact CG2-CG2 4.15Å; L703-I740 HydrophobicContact CD2-CD1 4.32Å; L703-I740 HydrophobicContact CD2-CG2 4.44Å; L709-I740 HydrophobicContact CD2-CD1 4.36Å; I713-I740 HydrophobicContact CD1-CD1 4.4Å; I736-I740 HydrophobicContact CG2-CD1 3.63Å; I736-I740 HydrophobicContact CG2-CG1 4.37Å; I736-I740 WeakPolarHBondContact O-CD1 3.43Å; I736-I740 VanDerWaalsContact O-CG1 3.27Å; I736-I740 WeakPolarHBondContact O-CG1 3.22Å; I736-I740 PolarHBondContact O-N 3.05Å; S737-I740 PolarHBondContact O-N 2.95Å; M738-I740 PolarHBondContact O-N 3.07Å; I740-G742 PolarHBondContact O-N 3.3Å; I740-T743 WeakPolarHBondContact O-CB 3.36Å; I740-T743 PolarHBondContact O-N 3.11Å; I740-L744 HydrophobicContact CG2-CD1 3.87Å; I740-L744 WeakPolarHBondContact O-CD1 3.44Å; I740-L744 WeakPolarHBondContact O-CG 3.32Å; I740-L744 PolarHBondContact O-N 3.35Å
741S96.4Very high95.1Very high0 Ų020.9 Ų20.90%010%0.099CC..Hα-helixtrans-57.6-48.7176.4-166.90000111.7G559 N570 S737 M738 I739 L744 A745G559-S741 WeakPolarHBondContact O-CB 3.44Å; G559-S741 PolarHBondContact O-OG 3.37Å; N570-S741 PolarHBondContact ND2-OG 3.47Å; S737-S741 VanDerWaalsContact O-CB 3.27Å; S737-S741 WeakPolarHBondContact O-CB 3.39Å; S737-S741 PolarHBondContact O-N 3.17Å; M738-S741 WeakPolarHBondContact O-CB 3.11Å; M738-S741 PolarHBondContact O-N 2.92Å; I739-S741 VanDerWaalsContact C-N 3.34Å; S741-L744 PolarHBondContact O-N 3.18Å; S741-A745 PolarHBondContact O-N 3.45Å
742G96.7Very high95.2Very high0 Ų018.5 Ų18.50%09%0.088CC..Hα-helixtrans-66.6-36174.700000114.4G611 A615 M738 I739 I740 L744 A745 G746G611-G742 CarbonylContact C-O 3.58Å; G611-G742 WeakPolarHBondContact CA-O 3.38Å; G611-G742 CarbonylContact O-C 3.58Å; G611-G742 WeakPolarHBondContact O-CA 3.25Å; A615-G742 VanDerWaalsContact CB-CA 3.48Å; M738-G742 PolarHBondContact O-N 3.08Å; I739-G742 PolarHBondContact O-N 3.16Å; I740-G742 PolarHBondContact O-N 3.3Å; G742-L744 VanDerWaalsContact C-N 3.3Å; G742-L744 PolarHBondContact O-N 3.4Å; G742-A745 PolarHBondContact O-N 2.95Å; G742-G746 PolarHBondContact O-N 2.8Å
743T98.1Very high95.2Very high40 Ų4013 Ų1325%0.2457%0.067CC..Hα-helixtrans-59-45.5173.6-54.60000110.4A608 A612 I739 I740 L747A608-T743 HydrophobicContact CB-CG2 4.12Å; A612-T743 WeakPolarHBondContact CB-OG1 3.37Å; I739-T743 WeakPolarHBondContact O-CB 3.34Å; I739-T743 PolarHBondContact O-N 3.38Å; I739-T743 PolarHBondContact O-OG1 3.04Å; I740-T743 WeakPolarHBondContact O-CB 3.36Å; I740-T743 PolarHBondContact O-N 3.11Å; T743-L747 HydrophobicContact CG2-CD1 4.45Å; T743-L747 WeakPolarHBondContact O-CG 3.44Å; T743-L747 PolarHBondContact O-N 2.87Å
744L97.6Very high95.3Very high4 Ų413 Ų132%0.0217%0.067CC..Hα-helixtrans-68.7-44.1179.1-69.3162.7000111.6F555 L558 V562 F696 V700 I740 S741 G742 L747 G748F555-L744 WeakPolarHBondContact CB-O 3.31Å; F555-L744 HydrophobicContact CD1-CD2 4.24Å; L558-L744 HydrophobicContact CB-CD1 4.1Å; L558-L744 HydrophobicContact CB-CD2 4.34Å; V562-L744 HydrophobicContact CG2-CD1 4.09Å; F696-L744 HydrophobicContact CD1-CD2 3.69Å; F696-L744 HydrophobicContact CE1-CD2 4.28Å; V700-L744 HydrophobicContact CG2-CD1 4.04Å; V700-L744 HydrophobicContact CG2-CD2 3.9Å; I740-L744 HydrophobicContact CG2-CD1 3.87Å; I740-L744 WeakPolarHBondContact O-CD1 3.44Å; I740-L744 WeakPolarHBondContact O-CG 3.32Å; I740-L744 PolarHBondContact O-N 3.35Å; S741-L744 PolarHBondContact O-N 3.18Å; G742-L744 VanDerWaalsContact C-N 3.3Å; G742-L744 PolarHBondContact O-N 3.4Å; L744-L747 PolarHBondContact O-N 3.07Å; L744-G748 PolarHBondContact O-N 3.29Å
745A96.8Very high95.3Very high0 Ų012.2 Ų12.20%06%0.063CC..Hα-helixtrans-60.2-45.7174.100000112.3L573 Q576 A577 S741 G742 L747 G748 G749L573-A745 HydrophobicContact CB-CB 4.42Å; L573-A745 HydrophobicContact CD2-CB 3.77Å; Q576-A745 HydrophobicContact CB-CB 3.68Å; A577-A745 WeakPolarHBondContact CA-O 3.44Å; A577-A745 WeakPolarHBondContact CB-O 3.26Å; S741-A745 PolarHBondContact O-N 3.45Å; G742-A745 PolarHBondContact O-N 2.95Å; A745-L747 PolarHBondContact O-N 3.39Å; A745-G748 WeakPolarHBondContact O-CA 3.43Å; A745-G748 PolarHBondContact O-N 3.26Å; A745-G749 PolarHBondContact O-N 2.95Å
746G97.1Very high95.1Very high0 Ų011.9 Ų11.90%06%0.061CC..Hα-helixtrans-56.5-45.7174.900000112.2Q576 G742 G748 G749 V750Q576-G746 WeakPolarHBondContact O-CA 3.37Å; G742-G746 PolarHBondContact O-N 2.8Å; G746-G748 VanDerWaalsContact C-N 3.32Å; G746-G748 PolarHBondContact O-N 3.36Å; G746-G749 CarbonylContact O-C 3.5Å; G746-G749 VanDerWaalsContact O-CA 3.31Å; G746-G749 WeakPolarHBondContact O-CA 2.89Å; G746-G749 PolarHBondContact O-N 2.7Å; G746-V750 WeakPolarHBondContact O-CG2 3.44Å; G746-V750 PolarHBondContact O-N 3.48Å
747L97.5Very high94.8Very high6 Ų613 Ų133%0.0317%0.065CC..Hα-helixtrans-60.9-36.6173.1-73.9168.7000113.1F555 I604 A608 F696 T743 L744 A745 G749 V750 V751F555-L747 HydrophobicContact CD1-CB 3.65Å; F555-L747 HydrophobicContact CD1-CD1 4.41Å; F555-L747 HydrophobicContact CE1-CB 3.69Å; F555-L747 HydrophobicContact CE1-CD1 3.92Å; F555-L747 HydrophobicContact CE1-CG 4.42Å; F555-L747 HydrophobicContact CG-CB 4.23Å; F555-L747 HydrophobicContact CZ-CB 4.31Å; I604-L747 HydrophobicContact CG2-CD2 3.71Å; A608-L747 HydrophobicContact CB-CD2 3.94Å; A608-L747 HydrophobicContact CB-CG 3.97Å; F696-L747 HydrophobicContact CD1-CD1 4.22Å; F696-L747 HydrophobicContact CE1-CD1 3.56Å; F696-L747 HydrophobicContact CE2-CD1 4.14Å; F696-L747 HydrophobicContact CZ-CD1 3.51Å; T743-L747 HydrophobicContact CG2-CD1 4.45Å; T743-L747 WeakPolarHBondContact O-CG 3.44Å; T743-L747 PolarHBondContact O-N 2.87Å; L744-L747 PolarHBondContact O-N 3.07Å; A745-L747 PolarHBondContact O-N 3.39Å; L747-G749 VanDerWaalsContact C-N 3.3Å; L747-G749 PolarHBondContact O-N 2.91Å; L747-V750 PolarHBondContact O-N 3.19Å; L747-V751 WeakPolarHBondContact O-CG2 3.25Å; L747-V751 PolarHBondContact O-N 3.43Å
748G95.7Very high94.6Very high0 Ų014.1 Ų14.10%07%0.07CC..Hα-helixtrans-58.6-42.6169.800000112.1F555 L744 A745 G746 V751 Y752F555-G748 VanDerWaalsContact CB-CA 3.47Å; L744-G748 PolarHBondContact O-N 3.29Å; A745-G748 WeakPolarHBondContact O-CA 3.43Å; A745-G748 PolarHBondContact O-N 3.26Å; G746-G748 VanDerWaalsContact C-N 3.32Å; G746-G748 PolarHBondContact O-N 3.36Å; G748-V751 PolarHBondContact O-N 2.96Å; G748-Y752 PolarHBondContact O-N 3.42Å
749G95.3Very high94.3Very high1 Ų115.8 Ų15.81%0.018%0.079CC..Hα-helixtrans-60.6-40.4170.400000114.4A577 A745 G746 L747 Y752 G753A577-G749 VanDerWaalsContact O-CA 3.27Å; A577-G749 WeakPolarHBondContact O-CA 3.45Å; A745-G749 PolarHBondContact O-N 2.95Å; G746-G749 CarbonylContact O-C 3.5Å; G746-G749 VanDerWaalsContact O-CA 3.31Å; G746-G749 WeakPolarHBondContact O-CA 2.89Å; G746-G749 PolarHBondContact O-N 2.7Å; L747-G749 VanDerWaalsContact C-N 3.3Å; L747-G749 PolarHBondContact O-N 2.91Å; G749-Y752 WeakPolarHBondContact O-CB 3.48Å; G749-Y752 PolarHBondContact O-N 2.91Å; G749-G753 PolarHBondContact O-N 3.39Å
750V97Very high94Very high2 Ų212.9 Ų12.91%0.0126%0.064CC..Hα-helixtrans-63.4-41.5174.8-1770000111.5I604 L672 G746 L747 Y752 G753 L754I604-V750 HydrophobicContact CG1-CG1 3.93Å; L672-V750 HydrophobicContact CD1-CG1 4.46Å; G746-V750 WeakPolarHBondContact O-CG2 3.44Å; G746-V750 PolarHBondContact O-N 3.48Å; L747-V750 PolarHBondContact O-N 3.19Å; V750-Y752 VanDerWaalsContact C-N 3.32Å; V750-G753 PolarHBondContact O-N 3.15Å; V750-L754 HydrophobicContact CG1-CD1 3.8Å; V750-L754 HydrophobicContact CG1-CG 4.19Å; V750-L754 PolarHBondContact O-N 3.32Å
751V95.4Very high93.4Very high1 Ų114.9 Ų14.91%0.0067%0.072CC..Hα-helixtrans-65.1-38.6175177.40000111.1P552 F555 L672 L747 G748 G755 T756P552-V751 HydrophobicContact CG-CB 4.29Å; P552-V751 HydrophobicContact CG-CG1 3.87Å; F555-V751 HydrophobicContact CD2-CG2 4.11Å; F555-V751 HydrophobicContact CE2-CG2 3.88Å; L672-V751 HydrophobicContact CD1-CG2 4.23Å; L747-V751 WeakPolarHBondContact O-CG2 3.25Å; L747-V751 PolarHBondContact O-N 3.43Å; G748-V751 PolarHBondContact O-N 2.96Å; V751-G755 CarbonylContact O-C 3.51Å; V751-G755 WeakPolarHBondContact O-CA 3.39Å; V751-G755 PolarHBondContact O-N 2.87Å; V751-T756 PolarHBondContact O-N 3.46Å; V751-T756 VanDerWaalsContact O-N 3.08Å
752Y90.6Very high92.7Very high45 Ų4517.5 Ų17.518%0.1769%0.088CC..Iπ-helixtrans-61.1-51.8174.4-145.9-114.9000111.2P552 W581 G748 G749 V750 T756 F757 I769P552-Y752 HydrophobicContact CB-CD2 4.23Å; P552-Y752 HydrophobicContact CG-CD2 3.99Å; W581-Y752 HydrophobicContact CD2-CD1 4.08Å; W581-Y752 AromaticContact CE3-CD1 3.67Å; W581-Y752 HydrophobicContact CE3-CD1 3.67Å; W581-Y752 HydrophobicContact CE3-CE1 4.13Å; W581-Y752 AromaticContact CH2-CD1 3.97Å; W581-Y752 HydrophobicContact CH2-CD1 3.97Å; W581-Y752 AromaticContact CH2-CE1 3.92Å; W581-Y752 HydrophobicContact CH2-CE1 3.92Å; W581-Y752 HydrophobicContact CZ2-CD1 4.34Å; W581-Y752 AromaticContact CZ3-CD1 3.62Å; W581-Y752 HydrophobicContact CZ3-CD1 3.62Å; W581-Y752 AromaticContact CZ3-CE1 3.62Å; W581-Y752 HydrophobicContact CZ3-CE1 3.62Å; G748-Y752 PolarHBondContact O-N 3.42Å; G749-Y752 WeakPolarHBondContact O-CB 3.48Å; G749-Y752 PolarHBondContact O-N 2.91Å; V750-Y752 VanDerWaalsContact C-N 3.32Å; Y752-T756 WeakPolarHBondContact O-CA 3.23Å; Y752-T756 VanDerWaalsContact O-CB 3.29Å; Y752-T756 WeakPolarHBondContact O-CB 3.24Å; Y752-T756 PolarHBondContact O-N 2.86Å; Y752-T756 VanDerWaalsContact O-N 3.09Å; Y752-F757 AromaticContact CD1-CD2 3.75Å; Y752-F757 HydrophobicContact CD1-CD2 3.75Å; Y752-F757 AromaticContact CD1-CE2 3.69Å; Y752-F757 HydrophobicContact CD1-CE2 3.69Å; Y752-F757 HydrophobicContact CD2-CE2 4.19Å; Y752-F757 AromaticContact CE1-CD2 3.84Å; Y752-F757 HydrophobicContact CE1-CD2 3.84Å; Y752-F757 AromaticContact CE1-CE2 3.32Å; Y752-F757 HydrophobicContact CE1-CE2 3.32Å; Y752-F757 HydrophobicContact CE1-CZ 4.14Å; Y752-F757 AromaticContact CE2-CE2 3.86Å; Y752-F757 HydrophobicContact CE2-CE2 3.86Å; Y752-F757 HydrophobicContact CG-CD2 4.17Å; Y752-F757 HydrophobicContact CG-CE2 4.12Å; Y752-F757 AromaticContact CZ-CE2 3.42Å; Y752-F757 VanDerWaalsContact CZ-CE2 3.42Å; Y752-F757 WeakPolarHBondContact O-CD2 3.33Å; Y752-F757 PolarHBondContact O-N 2.92Å; Y752-I769 HydrophobicContact CD2-CD1 3.99Å; Y752-I769 HydrophobicContact CD2-CG2 4.23Å; Y752-I769 HydrophobicContact CE2-CD1 4.31Å; Y752-I769 HydrophobicContact CE2-CG2 3.64Å; Y752-I769 HydrophobicContact CG-CD1 4.11Å
753G91.5Very high91.9Very high0 Ų018.8 Ų18.80%09%0.094CC..Iπ-helixtrans-69.2-66.7-179.700000114.2G749 V750 G755 M758G749-G753 PolarHBondContact O-N 3.39Å; V750-G753 PolarHBondContact O-N 3.15Å; G753-G755 VanDerWaalsContact C-N 3.3Å; G753-G755 PolarHBondContact O-N 3.07Å; G753-M758 WeakPolarHBondContact O-CA 3.13Å; G753-M758 PolarHBondContact O-N 3.48Å
754L94Very high90.5Very high0 Ų020.4 Ų20.40%012%0.119CC..Iπ-helixtrans-78.2-10.6-173.3-58-176.6000114I585 A588 L600 A603 V666 S671 L672 V750I585-L754 HydrophobicContact CD1-CD2 4.03Å; A588-L754 HydrophobicContact CB-CD2 3.89Å; L600-L754 HydrophobicContact CD1-CD1 3.85Å; A603-L754 HydrophobicContact CB-CD1 3.77Å; V666-L754 HydrophobicContact CG1-CD2 4.18Å; V666-L754 HydrophobicContact CG2-CD2 4.43Å; S671-L754 PolarHBondContact OG-O 2.77Å; L672-L754 HydrophobicContact CD1-CB 4.01Å; L672-L754 HydrophobicContact CG-CB 4Å; L672-L754 PolarHBondContact N-O 3.39Å; V750-L754 HydrophobicContact CG1-CD1 3.8Å; V750-L754 HydrophobicContact CG1-CG 4.19Å; V750-L754 PolarHBondContact O-N 3.32Å
755G90.3Very high89.3Confident0 Ų025.5 Ų25.50%015%0.15CC..Iπ-helixtrans-107.7-57.1177.600000113.2R673 V751 G753R673-G755 PolarHBondContact NE-O 3.06Å; V751-G755 CarbonylContact O-C 3.51Å; V751-G755 WeakPolarHBondContact O-CA 3.39Å; V751-G755 PolarHBondContact O-N 2.87Å; G753-G755 VanDerWaalsContact C-N 3.3Å; G753-G755 PolarHBondContact O-N 3.07Å
756T89.4Confident88Confident14 Ų1426.6 Ų26.69%0.08616%0.158CC..Iπ-helixtrans-84.7-53.4-170.9-54.30000113V548 R673 V751 Y752V548-T756 HydrophobicContact CG1-CG2 3.98Å; R673-T756 PolarHBondContact NH2-O 3.12Å; V751-T756 PolarHBondContact O-N 3.46Å; V751-T756 VanDerWaalsContact O-N 3.08Å; Y752-T756 WeakPolarHBondContact O-CA 3.23Å; Y752-T756 VanDerWaalsContact O-CB 3.29Å; Y752-T756 WeakPolarHBondContact O-CB 3.24Å; Y752-T756 PolarHBondContact O-N 2.86Å; Y752-T756 VanDerWaalsContact O-N 3.09Å
757F88.6Confident87.2Confident68 Ų6827 Ų2730%0.29816%0.16SC..Iπ-helixtrans-94.9-31.1-170.8-72.9-84.1000115.1W581 Y752 N759 F761W581-F757 HydrophobicContact CH2-CD2 4.34Å; W581-F757 HydrophobicContact CH2-CG 4.47Å; W581-F757 HydrophobicContact CZ2-CB 4.07Å; W581-F757 HydrophobicContact CZ2-CD2 4.12Å; W581-F757 HydrophobicContact CZ2-CG 4.03Å; Y752-F757 AromaticContact CD1-CD2 3.75Å; Y752-F757 HydrophobicContact CD1-CD2 3.75Å; Y752-F757 AromaticContact CD1-CE2 3.69Å; Y752-F757 HydrophobicContact CD1-CE2 3.69Å; Y752-F757 HydrophobicContact CD2-CE2 4.19Å; Y752-F757 AromaticContact CE1-CD2 3.84Å; Y752-F757 HydrophobicContact CE1-CD2 3.84Å; Y752-F757 AromaticContact CE1-CE2 3.32Å; Y752-F757 HydrophobicContact CE1-CE2 3.32Å; Y752-F757 HydrophobicContact CE1-CZ 4.14Å; Y752-F757 AromaticContact CE2-CE2 3.86Å; Y752-F757 HydrophobicContact CE2-CE2 3.86Å; Y752-F757 HydrophobicContact CG-CD2 4.17Å; Y752-F757 HydrophobicContact CG-CE2 4.12Å; Y752-F757 AromaticContact CZ-CE2 3.42Å; Y752-F757 VanDerWaalsContact CZ-CE2 3.42Å; Y752-F757 WeakPolarHBondContact O-CD2 3.33Å; Y752-F757 PolarHBondContact O-N 2.92Å; F757-N759 PolarHBondContact O-N 3.28Å; F757-F761 AromaticContact CD1-CE1 3.56Å; F757-F761 HydrophobicContact CD1-CE1 3.56Å; F757-F761 HydrophobicContact CD1-CZ 4.09Å; F757-F761 AromaticContact CE1-CE1 3.96Å; F757-F761 HydrophobicContact CE1-CE1 3.96Å; F757-F761 AromaticContact CE1-CZ 3.99Å; F757-F761 HydrophobicContact CE1-CZ 3.99Å; F757-F761 HydrophobicContact CG-CE1 4.12Å
758M90.7Very high86.3Confident24 Ų2429.8 Ų29.812%0.11818%0.18CC..SBendtrans651.6-174.1-61.7-55.5-52.400115.8V666 S671 R673 G753V666-M758 HydrophobicContact CB-CE 3.84Å; V666-M758 WeakPolarHBondContact CB-O 3.38Å; V666-M758 HydrophobicContact CG1-CE 3.95Å; V666-M758 PolarHBondContact N-O 2.63Å; V666-M758 WeakPolarHBondContact O-CE 3.25Å; S671-M758 VanDerWaalsContact OG-CE 3.25Å; S671-M758 WeakPolarHBondContact OG-CE 3.2Å; S671-M758 PolarHBondContact OG-SD 3.44Å; R673-M758 HydrophobicContact CG-SD 4.38Å; G753-M758 WeakPolarHBondContact O-CA 3.13Å; G753-M758 PolarHBondContact O-N 3.48Å
759N88.9Confident85.9Confident35 Ų3530.3 Ų30.319%0.18718%0.183CC..SBendtrans-147-178.5168.968.8-13.6000110W581 T663 F757W581-N759 PolarHBondContact NE1-O 3.49Å; T663-N759 WeakPolarHBondContact O-CB 3.42Å; F757-N759 PolarHBondContact O-N 3.28Å
760Y90.2Very high85.3Confident0 Ų030.3 Ų30.30%018%0.183CC..  trans-113143.7158.8-177.8-85.7000110.1L578 W581 V582 N645 V648 T663 Q763L578-Y760 HydrophobicContact CD1-CE2 3.75Å; W581-Y760 AromaticContact CD2-CD2 3.79Å; W581-Y760 HydrophobicContact CD2-CD2 3.79Å; W581-Y760 HydrophobicContact CD2-CE2 4.25Å; W581-Y760 AromaticContact CE2-CD2 3.83Å; W581-Y760 HydrophobicContact CE3-CD2 4.27Å; W581-Y760 HydrophobicContact CE3-CE2 4.29Å; W581-Y760 AromaticContact CG-CD2 3.97Å; W581-Y760 HydrophobicContact CG-CD2 3.97Å; W581-Y760 HydrophobicContact CZ2-CD2 4.36Å; W581-Y760 AromaticContact NE1-CD2 3.94Å; V582-Y760 HydrophobicContact CG2-CD2 3.67Å; V582-Y760 HydrophobicContact CG2-CE2 3.39Å; V582-Y760 HydrophobicContact CG2-CG 4.36Å; N645-Y760 PolarHBondContact OD1-OH 2.95Å; V648-Y760 HydrophobicContact CB-CD1 4.27Å; V648-Y760 HydrophobicContact CB-CE1 4.19Å; V648-Y760 HydrophobicContact CG1-CD1 4.03Å; V648-Y760 HydrophobicContact CG1-CE1 4.27Å; V648-Y760 HydrophobicContact CG2-CD1 3.59Å; V648-Y760 HydrophobicContact CG2-CE1 3.68Å; V648-Y760 HydrophobicContact CG2-CG 4.42Å; T663-Y760 PolarHBondContact N-O 3.41Å; T663-Y760 WeakPolarHBondContact OG1-CA 3.38Å; T663-Y760 PolarHBondContact OG1-N 2.66Å; T663-Y760 PolarHBondContact OG1-O 2.98Å; Y760-Q763 HydrophobicContact CE2-CG 4.5Å
761F84.4Confident84.8Confident72 Ų7234.3 Ų34.332%0.31620%0.2SC..BIsolated β-bridgetrans-133.1146.3169.654.6-78.9000108.9W581 G661 V662 F757 Q763W581-F761 HydrophobicContact CH2-CD1 4.25Å; W581-F761 AromaticContact CH2-CE1 3.64Å; W581-F761 HydrophobicContact CH2-CE1 3.64Å; W581-F761 AromaticContact CH2-CZ 3.93Å; W581-F761 HydrophobicContact CH2-CZ 3.93Å; W581-F761 HydrophobicContact CZ2-CD1 4.11Å; W581-F761 AromaticContact CZ2-CE1 3.74Å; W581-F761 HydrophobicContact CZ2-CE1 3.74Å; W581-F761 HydrophobicContact CZ2-CZ 4.48Å; G661-F761 CarbonylContact O-C 3.28Å; G661-F761 WeakPolarHBondContact O-CA 3.39Å; V662-F761 HydrophobicContact CG1-CB 4.46Å; V662-F761 HydrophobicContact CG2-CB 4.15Å; F757-F761 AromaticContact CD1-CE1 3.56Å; F757-F761 HydrophobicContact CD1-CE1 3.56Å; F757-F761 HydrophobicContact CD1-CZ 4.09Å; F757-F761 AromaticContact CE1-CE1 3.96Å; F757-F761 HydrophobicContact CE1-CE1 3.96Å; F757-F761 AromaticContact CE1-CZ 3.99Å; F757-F761 HydrophobicContact CE1-CZ 3.99Å; F757-F761 HydrophobicContact CG-CE1 4.12Å; F761-Q763 PolarHBondContact O-N 3.22Å; F761-Q763 PolarHBondContact O-NE2 3.23Å
762V81.8Confident84.2Confident56 Ų5634.8 Ų34.834%0.33920%0.203SC..  trans-52.1135.6178.9157.90000111.1N645 G661N645-V762 HydrophobicContact CB-CG1 4.37Å; N645-V762 HydrophobicContact CB-CG2 4.19Å; G661-V762 PolarHBondContact O-N 3.43Å
763Q79.1Confident84.1Confident27 Ų2732.6 Ų32.613%0.12619%0.194CC..  trans-107.6128.8-177.5-56.9-65.1-71.900109.8L578 W581 L641 N645 Y760 F761L578-Q763 HydrophobicContact CD1-CG 4.02Å; W581-Q763 HydrophobicContact CZ3-CG 4.36Å; L641-Q763 HydrophobicContact CD1-CB 3.69Å; L641-Q763 WeakPolarHBondContact CD1-O 3.35Å; N645-Q763 PolarHBondContact ND2-O 3.18Å; N645-Q763 PolarHBondContact OD1-N 3.43Å; N645-Q763 VanDerWaalsContact OD1-N 3.16Å; Y760-Q763 HydrophobicContact CE2-CG 4.5Å; F761-Q763 PolarHBondContact O-N 3.22Å; F761-Q763 PolarHBondContact O-NE2 3.23Å
764G69.4Low83.9Confident74 Ų7433.5 Ų33.576%0.76320%0.198SC*.SBendtrans-76.8-22173.300000114
765T71Confident83.4Confident110 Ų11033.9 Ų33.968%0.67520%0.202SC*.SBendtrans-137.3162.7179.455.90000110.9L641L641-T765 WeakPolarHBondContact CD1-O 3.47Å
766S70.8Confident83.2Confident24 Ų2433.9 Ų33.917%0.16820%0.202CC..  trans-72.2137.8178.7-156.50000111.1S574 S768S574-S766 WeakPolarHBondContact CB-OG 3.35Å; S766-S768 PolarHBondContact O-N 3.12Å
767V79.3Confident83.2Confident7 Ų733.2 Ų33.24%0.04220%0.198CC..  trans-59.2126.3-170.5-71.10000113.3S574 A577 L578 W581 I769S574-V767 WeakPolarHBondContact CB-O 3.37Å; S574-V767 WeakPolarHBondContact O-CG2 3.24Å; S574-V767 PolarHBondContact OG-O 2.94Å; A577-V767 HydrophobicContact CB-CG2 4.45Å; L578-V767 HydrophobicContact CB-CG2 4.41Å; L578-V767 HydrophobicContact CD1-CG1 4.09Å; W581-V767 HydrophobicContact CE3-CG1 4.23Å; W581-V767 HydrophobicContact CZ3-CG1 3.9Å; V767-I769 HydrophobicContact CB-CG1 4.27Å; V767-I769 HydrophobicContact CG2-CD1 4.48Å; V767-I769 HydrophobicContact CG2-CG1 4.07Å; V767-I769 PolarHBondContact O-N 3.28Å; V767-I769 VanDerWaalsContact O-N 3.12Å
768S78.7Confident82.8Confident66 Ų6631.7 Ų31.746%0.46219%0.192SC..THydrogen-bonded Turntrans-63.1-21.4-172.7490000115.1S766 G770 F771 D772S766-S768 PolarHBondContact O-N 3.12Å; S768-G770 PolarHBondContact O-N 3.05Å; S768-F771 PolarHBondContact O-N 3.21Å; S768-D772 PolarHBondContact O-N 2.84Å
769I87Confident82.1Confident10 Ų1031 Ų315%0.05119%0.189CC..Hα-helixtrans-58.8-20.8-177.462.9174.7000114.7P552 L553 T556 A577 Y752 V767 G773P552-I769 HydrophobicContact CB-CD1 4.36Å; L553-I769 HydrophobicContact CD2-CB 4.31Å; L553-I769 HydrophobicContact CD2-CG2 4.44Å; T556-I769 WeakPolarHBondContact CB-O 3.26Å; T556-I769 HydrophobicContact CG2-CG1 4.45Å; T556-I769 PolarHBondContact OG1-O 3.26Å; A577-I769 HydrophobicContact CB-CD1 4.02Å; A577-I769 HydrophobicContact CB-CG1 4.41Å; Y752-I769 HydrophobicContact CD2-CD1 3.99Å; Y752-I769 HydrophobicContact CD2-CG2 4.23Å; Y752-I769 HydrophobicContact CE2-CD1 4.31Å; Y752-I769 HydrophobicContact CE2-CG2 3.64Å; Y752-I769 HydrophobicContact CG-CD1 4.11Å; V767-I769 HydrophobicContact CB-CG1 4.27Å; V767-I769 HydrophobicContact CG2-CD1 4.48Å; V767-I769 HydrophobicContact CG2-CG1 4.07Å; V767-I769 PolarHBondContact O-N 3.28Å; V767-I769 VanDerWaalsContact O-N 3.12Å; I769-G773 PolarHBondContact O-N 3.33Å
770G84.3Confident81.5Confident1 Ų129.4 Ų29.41%0.0118%0.181CC..Hα-helixtrans-71.6-46.217200000112.7S574 S768 G773 M774S574-G770 WeakPolarHBondContact OG-CA 3.04Å; S768-G770 PolarHBondContact O-N 3.05Å; G770-G773 PolarHBondContact O-N 3.25Å; G770-M774 PolarHBondContact O-N 3.39Å
771F84.5Confident80.6Confident87 Ų8733.8 Ų33.838%0.38220%0.204SC..Hα-helixtrans-70.7-42.2177.2-62.3-76.7000112V571 S768 G773 M774 A775V571-F771 HydrophobicContact CG1-CE1 3.87Å; S768-F771 PolarHBondContact O-N 3.21Å; F771-G773 VanDerWaalsContact C-N 3.29Å; F771-G773 PolarHBondContact O-N 3.26Å; F771-M774 WeakPolarHBondContact O-CB 3.45Å; F771-M774 PolarHBondContact O-N 3.36Å; F771-A775 PolarHBondContact O-N 2.94Å; F771-A775 VanDerWaalsContact O-N 3.09Å
772D84.6Confident80.4Confident10 Ų1031.5 Ų31.55%0.05320%0.201CC..Hα-helixtrans-57.8-44.1170.6-72.2-53.4000110.9L553 S768 M774 A775 V776 F794 K798L553-D772 HydrophobicContact CD2-CB 3.34Å; S768-D772 PolarHBondContact O-N 2.84Å; D772-M774 VanDerWaalsContact C-N 3.34Å; D772-M774 PolarHBondContact O-N 3.44Å; D772-A775 PolarHBondContact O-N 2.85Å; D772-V776 WeakPolarHBondContact O-CB 3.3Å; D772-V776 VanDerWaalsContact O-CG2 3.29Å; D772-V776 WeakPolarHBondContact O-CG2 3.25Å; D772-V776 PolarHBondContact O-N 3.29Å; D772-F794 HydrophobicContact CB-CD1 4.4Å; D772-F794 HydrophobicContact CB-CE1 4.29Å; D772-K798 WeakPolarHBondContact OD1-CE 3.34Å; D772-K798 IonicContact OD1-NZ 3.82Å; D772-K798 PolarHBondContact OD1-NZ 3.23Å; D772-K798 IonicContact OD2-NZ 2.68Å; D772-K798 PolarHBondContact OD2-NZ 3.35Å
773G88.3Confident80.5Confident0 Ų031.1 Ų31.10%020%0.201CC..Hα-helixtrans-60.2-40.2176.900000113.3T556 A557 I769 G770 F771 V776 S777T556-G773 WeakPolarHBondContact OG1-CA 3.26Å; A557-G773 VanDerWaalsContact CA-O 3.25Å; A557-G773 WeakPolarHBondContact CA-O 3.42Å; A557-G773 WeakPolarHBondContact CB-O 3.17Å; I769-G773 PolarHBondContact O-N 3.33Å; G770-G773 PolarHBondContact O-N 3.25Å; F771-G773 VanDerWaalsContact C-N 3.29Å; F771-G773 PolarHBondContact O-N 3.26Å; G773-V776 PolarHBondContact O-N 2.91Å; G773-S777 WeakPolarHBondContact O-CB 3.46Å; G773-S777 PolarHBondContact O-N 3.36Å
774M87.7Confident80.9Confident18 Ų1830.7 Ų30.79%0.08920%0.201CC..Hα-helixtrans-60-50173.1-177.5-179-5000111.4F560 V571 G770 F771 D772 V776 S777 L778F560-M774 HydrophobicContact CD1-CG 4.29Å; F560-M774 HydrophobicContact CD2-CB 4.11Å; F560-M774 HydrophobicContact CD2-CE 4Å; F560-M774 HydrophobicContact CD2-CG 3.71Å; F560-M774 HydrophobicContact CD2-SD 4.39Å; F560-M774 HydrophobicContact CE1-CG 4.11Å; F560-M774 HydrophobicContact CE2-CB 4.39Å; F560-M774 HydrophobicContact CE2-CE 3.72Å; F560-M774 HydrophobicContact CE2-CG 3.51Å; F560-M774 HydrophobicContact CE2-SD 3.8Å; F560-M774 HydrophobicContact CG-CB 4.33Å; F560-M774 HydrophobicContact CG-CG 4.09Å; F560-M774 HydrophobicContact CZ-CG 3.71Å; F560-M774 HydrophobicContact CZ-SD 4.18Å; V571-M774 HydrophobicContact CB-CE 4.31Å; V571-M774 HydrophobicContact CG1-CE 4.16Å; V571-M774 HydrophobicContact CG2-CE 4.14Å; G770-M774 PolarHBondContact O-N 3.39Å; F771-M774 WeakPolarHBondContact O-CB 3.45Å; F771-M774 PolarHBondContact O-N 3.36Å; D772-M774 VanDerWaalsContact C-N 3.34Å; D772-M774 PolarHBondContact O-N 3.44Å; M774-V776 PolarHBondContact O-N 3.43Å; M774-S777 PolarHBondContact O-N 2.88Å; M774-S777 VanDerWaalsContact O-N 3.17Å; M774-L778 HydrophobicContact CG-CD1 4.04Å; M774-L778 WeakPolarHBondContact O-CG 3.48Å; M774-L778 PolarHBondContact O-N 2.86Å
775A81.6Confident81.5Confident9 Ų932.2 Ų32.27%0.07420%0.195CC..Hα-helixtrans-62.4-4217800000112.3F771 D772 S777 L778 L779 F794F771-A775 PolarHBondContact O-N 2.94Å; F771-A775 VanDerWaalsContact O-N 3.09Å; D772-A775 PolarHBondContact O-N 2.85Å; A775-S777 VanDerWaalsContact C-N 3.35Å; A775-S777 PolarHBondContact O-N 3.32Å; A775-L778 PolarHBondContact O-N 3.34Å; A775-L779 VanDerWaalsContact O-CB 3.24Å; A775-L779 WeakPolarHBondContact O-CB 3.47Å; A775-L779 PolarHBondContact O-N 3.44Å; A775-F794 HydrophobicContact CB-CE1 4.38Å; A775-F794 HydrophobicContact CB-CE2 4.25Å; A775-F794 HydrophobicContact CB-CZ 3.59Å
776V87.3Confident82Confident0 Ų027.5 Ų27.50%017%0.169CC..Hα-helixtrans-60.1-40.7172.6163.40000111.8A557 D772 G773 M774 G780 I787 S790 A791 F794A557-V776 HydrophobicContact CB-CB 4.09Å; A557-V776 HydrophobicContact CB-CG1 3.57Å; D772-V776 WeakPolarHBondContact O-CB 3.3Å; D772-V776 VanDerWaalsContact O-CG2 3.29Å; D772-V776 WeakPolarHBondContact O-CG2 3.25Å; D772-V776 PolarHBondContact O-N 3.29Å; G773-V776 PolarHBondContact O-N 2.91Å; M774-V776 PolarHBondContact O-N 3.43Å; V776-G780 PolarHBondContact O-N 3.25Å; V776-I787 HydrophobicContact CG1-CG2 4.25Å; V776-S790 WeakPolarHBondContact O-CB 3.21Å; V776-A791 HydrophobicContact CG1-CB 3.85Å; V776-F794 HydrophobicContact CG2-CB 3.97Å; V776-F794 HydrophobicContact CG2-CD1 4.09Å; V776-F794 HydrophobicContact CG2-CD2 3.54Å; V776-F794 HydrophobicContact CG2-CE1 4.48Å; V776-F794 HydrophobicContact CG2-CE2 3.98Å; V776-F794 HydrophobicContact CG2-CG 3.6Å; V776-F794 HydrophobicContact CG2-CZ 4.43Å
777S88.4Confident83Confident0 Ų026.4 Ų26.40%016%0.161CC..Hα-helixtrans-70.4-40.1178.4-175.70000113A557 G773 M774 A775 G780 N781 G782A557-S777 WeakPolarHBondContact O-CB 3.5Å; A557-S777 PolarHBondContact O-OG 3.36Å; G773-S777 WeakPolarHBondContact O-CB 3.46Å; G773-S777 PolarHBondContact O-N 3.36Å; M774-S777 PolarHBondContact O-N 2.88Å; M774-S777 VanDerWaalsContact O-N 3.17Å; A775-S777 VanDerWaalsContact C-N 3.35Å; A775-S777 PolarHBondContact O-N 3.32Å; S777-G780 CarbonylContact O-C 3.54Å; S777-G780 PolarHBondContact O-N 3.26Å; S777-N781 PolarHBondContact O-N 2.7Å; S777-G782 PolarHBondContact O-N 3.02Å
778L81.2Confident83.5Confident35 Ų3528.2 Ų28.218%0.18317%0.17CC..Hα-helixtrans-69.6-44.8178.6-70.5169.9000110.6F560 M774 A775 G780 N781 I950F560-L778 HydrophobicContact CE1-CD1 4.41Å; F560-L778 HydrophobicContact CE1-CD2 3.76Å; F560-L778 HydrophobicContact CE1-CG 3.88Å; F560-L778 HydrophobicContact CZ-CD2 4.41Å; M774-L778 HydrophobicContact CG-CD1 4.04Å; M774-L778 WeakPolarHBondContact O-CG 3.48Å; M774-L778 PolarHBondContact O-N 2.86Å; A775-L778 PolarHBondContact O-N 3.34Å; L778-G780 PolarHBondContact O-N 3.47Å; L778-N781 PolarHBondContact O-N 2.8Å; L778-I950 HydrophobicContact CB-CD1 3.59Å; L778-I950 HydrophobicContact CB-CG1 4.1Å; L778-I950 HydrophobicContact CD1-CD1 4.25Å; L778-I950 HydrophobicContact CD1-CG1 3.8Å; L778-I950 HydrophobicContact CG-CD1 4.49Å
779L74.8Confident83.9Confident11 Ų1130.3 Ų30.36%0.05818%0.175CC..Hα-helixtrans-61.1-34.6172.3-174.862.5000112.3A775 N781 S790 L793 V825 A826A775-L779 VanDerWaalsContact O-CB 3.24Å; A775-L779 WeakPolarHBondContact O-CB 3.47Å; A775-L779 PolarHBondContact O-N 3.44Å; L779-N781 VanDerWaalsContact C-N 3.3Å; L779-N781 PolarHBondContact O-N 2.98Å; L779-S790 WeakPolarHBondContact CG-OG 3.38Å; L779-L793 HydrophobicContact CD2-CD2 4.21Å; L779-V825 HydrophobicContact CD1-CG1 4.18Å; L779-A826 HydrophobicContact CD1-CB 4.12Å
780G76.7Confident83.8Confident0 Ų030.2 Ų30.20%018%0.176CC..THydrogen-bonded Turntrans-79.8-1173.200000115.6V776 S777 L778 G782 S783 G786 S790V776-G780 PolarHBondContact O-N 3.25Å; S777-G780 CarbonylContact O-C 3.54Å; S777-G780 PolarHBondContact O-N 3.26Å; L778-G780 PolarHBondContact O-N 3.47Å; G780-G782 PolarHBondContact O-N 3.3Å; G780-S783 WeakPolarHBondContact O-CB 3.42Å; G780-S783 PolarHBondContact O-N 3.14Å; G780-S783 PolarHBondContact O-OG 3.48Å; G780-G786 WeakPolarHBondContact CA-O 3.47Å; G780-S790 PolarHBondContact N-OG 3.37Å
781N72.2Confident84.1Confident92 Ų9230.2 Ų30.249%0.49218%0.175SC..THydrogen-bonded Turntrans51.336.3-176.6-163.520.1000114.2S777 L778 L779 S783 Y829S777-N781 PolarHBondContact O-N 2.7Å; L778-N781 PolarHBondContact O-N 2.8Å; L779-N781 VanDerWaalsContact C-N 3.3Å; L779-N781 PolarHBondContact O-N 2.98Å; N781-S783 PolarHBondContact O-N 3.5Å; N781-S783 VanDerWaalsContact O-N 3.09Å; N781-Y829 HydrophobicContact CB-CE1 3.6Å; N781-Y829 WeakPolarHBondContact CB-OH 3.36Å
782G78.9Confident84.4Confident25 Ų2528.1 Ų28.126%0.25817%0.168SC..THydrogen-bonded Turntrans58.820.9-175.200000114.9S561 S777 G780S561-G782 VanDerWaalsContact OG-C 3.31Å; S561-G782 WeakPolarHBondContact OG-CA 3.33Å; S561-G782 PolarHBondContact OG-O 3Å; S777-G782 PolarHBondContact O-N 3.02Å; G780-G782 PolarHBondContact O-N 3.3Å
783S83.8Confident84.4Confident48 Ų4830.2 Ų30.234%0.33618%0.179SC..  trans-102.8134.217873.70000110.1G780 N781 V785 G786 I787G780-S783 WeakPolarHBondContact O-CB 3.42Å; G780-S783 PolarHBondContact O-N 3.14Å; G780-S783 PolarHBondContact O-OG 3.48Å; N781-S783 PolarHBondContact O-N 3.5Å; N781-S783 VanDerWaalsContact O-N 3.09Å; S783-V785 VanDerWaalsContact C-N 3.26Å; S783-V785 PolarHBondContact O-N 3.39Å; S783-G786 CarbonylContact O-C 3.4Å; S783-G786 WeakPolarHBondContact O-CA 3.39Å; S783-G786 PolarHBondContact O-N 2.88Å; S783-G786 WeakPolarHBondContact OG-CA 3.45Å; S783-G786 PolarHBondContact OG-N 3.17Å; S783-G786 VanDerWaalsContact OG-N 3.12Å; S783-I787 WeakPolarHBondContact O-CB 3.27Å; S783-I787 WeakPolarHBondContact O-CG1 3.38Å; S783-I787 PolarHBondContact O-N 3Å
784S87.6Confident84.3Confident18 Ų1830.4 Ų30.413%0.12618%0.18CC..Hα-helixtrans-54.1-41.2-179.3-57.20000112.9L697 I787 L788L697-S784 VanDerWaalsContact CD2-O 3.26Å; L697-S784 WeakPolarHBondContact CD2-O 3.34Å; L697-S784 WeakPolarHBondContact O-CB 3.35Å; L697-S784 PolarHBondContact O-OG 2.88Å; S784-I787 PolarHBondContact O-N 3.02Å; S784-L788 WeakPolarHBondContact O-CB 3.36Å; S784-L788 PolarHBondContact O-N 3.43Å
785V82.2Confident84.4Confident106 Ų10629.9 Ų29.964%0.64218%0.178SC*.Hα-helixtrans-66.6-42.3177.1-178.10000111.3S783 L788 L789S783-V785 VanDerWaalsContact C-N 3.26Å; S783-V785 PolarHBondContact O-N 3.39Å; V785-L788 PolarHBondContact O-N 3.06Å; V785-L789 HydrophobicContact CG1-CD1 4.11Å; V785-L789 VanDerWaalsContact O-CG 3.31Å; V785-L789 WeakPolarHBondContact O-CG 3.49Å; V785-L789 PolarHBondContact O-N 3.28Å
786G82.3Confident84.7Confident11 Ų1130.8 Ų30.811%0.11318%0.181CC..Hα-helixtrans-64.9-39.7175.400000112.9G780 S783 L789 S790G780-G786 WeakPolarHBondContact CA-O 3.47Å; S783-G786 CarbonylContact O-C 3.4Å; S783-G786 WeakPolarHBondContact O-CA 3.39Å; S783-G786 PolarHBondContact O-N 2.88Å; S783-G786 WeakPolarHBondContact OG-CA 3.45Å; S783-G786 PolarHBondContact OG-N 3.17Å; S783-G786 VanDerWaalsContact OG-N 3.12Å; G786-L789 PolarHBondContact O-N 2.98Å; G786-S790 WeakPolarHBondContact O-CB 3.49Å; G786-S790 PolarHBondContact O-N 3.19Å; G786-S790 PolarHBondContact O-OG 3.33Å
787I91Very high84.7Confident0 Ų030.9 Ų30.90%018%0.182CC..Hα-helixtrans-62.4-47.7175.3-73.1165.7000110.5I554 A557 L558 L697 V776 S783 S784 L789 S790 A791I554-I787 HydrophobicContact CG1-CG2 4.42Å; I554-I787 HydrophobicContact CG2-CG2 4.43Å; A557-I787 HydrophobicContact CB-CD1 4.46Å; A557-I787 HydrophobicContact CB-CG1 4.22Å; A557-I787 HydrophobicContact CB-CG2 3.64Å; L558-I787 HydrophobicContact CD2-CD1 3.89Å; L558-I787 HydrophobicContact CG-CD1 4.37Å; L697-I787 HydrophobicContact CD2-CB 4.34Å; L697-I787 HydrophobicContact CD2-CG2 4.09Å; V776-I787 HydrophobicContact CG1-CG2 4.25Å; S783-I787 WeakPolarHBondContact O-CB 3.27Å; S783-I787 WeakPolarHBondContact O-CG1 3.38Å; S783-I787 PolarHBondContact O-N 3Å; S784-I787 PolarHBondContact O-N 3.02Å; I787-L789 PolarHBondContact O-N 3.48Å; I787-S790 PolarHBondContact O-N 3.25Å; I787-A791 VanDerWaalsContact O-CB 3.26Å; I787-A791 WeakPolarHBondContact O-CB 3.22Å; I787-A791 PolarHBondContact O-N 2.96Å
788L91.2Very high84.6Confident45 Ų4535.1 Ų35.124%0.23620%0.2CC..Hα-helixtrans-58.3-49.3176.9176.759000111.6I554 L694 L697 S784 V785 S790 A791 L792I554-L788 HydrophobicContact CD1-CD1 3.79Å; L694-L788 HydrophobicContact CD2-CD1 3.96Å; L694-L788 HydrophobicContact CD2-CD2 3.96Å; L697-L788 HydrophobicContact CD1-CB 3.92Å; L697-L788 HydrophobicContact CD1-CD1 4.03Å; L697-L788 HydrophobicContact CD1-CD2 4.41Å; L697-L788 HydrophobicContact CD1-CG 4.34Å; S784-L788 WeakPolarHBondContact O-CB 3.36Å; S784-L788 PolarHBondContact O-N 3.43Å; V785-L788 PolarHBondContact O-N 3.06Å; L788-S790 VanDerWaalsContact C-N 3.35Å; L788-S790 PolarHBondContact O-N 2.85Å; L788-A791 PolarHBondContact O-N 3.36Å; L788-L792 HydrophobicContact CD1-CD1 3.94Å; L788-L792 HydrophobicContact CD1-CG 4.28Å; L788-L792 HydrophobicContact CG-CD1 4.14Å; L788-L792 WeakPolarHBondContact O-CB 3.39Å; L788-L792 VanDerWaalsContact O-CG 3.26Å; L788-L792 WeakPolarHBondContact O-CG 3.21Å; L788-L792 PolarHBondContact O-N 3.35Å
789L86.4Confident84.8Confident111 Ų11134.9 Ų34.958%0.58120%0.199SC*.Hα-helixtrans-65.5-37.4179-67172.9000112.2V785 G786 I787 L793V785-L789 HydrophobicContact CG1-CD1 4.11Å; V785-L789 VanDerWaalsContact O-CG 3.31Å; V785-L789 WeakPolarHBondContact O-CG 3.49Å; V785-L789 PolarHBondContact O-N 3.28Å; G786-L789 PolarHBondContact O-N 2.98Å; I787-L789 PolarHBondContact O-N 3.48Å; L789-L793 VanDerWaalsContact O-CB 3.31Å; L789-L793 WeakPolarHBondContact O-CB 3.22Å; L789-L793 PolarHBondContact O-N 3.27Å
790S85.9Confident85.2Confident8 Ų834.3 Ų34.36%0.05620%0.196CC..Hα-helixtrans-72.5-37.8179-59.30000112.4V776 L779 G780 G786 I787 L788 L793 F794V776-S790 WeakPolarHBondContact O-CB 3.21Å; L779-S790 WeakPolarHBondContact CG-OG 3.38Å; G780-S790 PolarHBondContact N-OG 3.37Å; G786-S790 WeakPolarHBondContact O-CB 3.49Å; G786-S790 PolarHBondContact O-N 3.19Å; G786-S790 PolarHBondContact O-OG 3.33Å; I787-S790 PolarHBondContact O-N 3.25Å; L788-S790 VanDerWaalsContact C-N 3.35Å; L788-S790 PolarHBondContact O-N 2.85Å; S790-L793 PolarHBondContact O-N 2.82Å; S790-F794 WeakPolarHBondContact O-CB 3.48Å; S790-F794 PolarHBondContact O-N 3.42Å
791A90.7Very high85.5Confident0 Ų034.4 Ų34.40%020%0.196CC..Hα-helixtrans-68.8-41.1176.100000111.6A550 L553 I554 V776 I787 L788 S795A550-A791 HydrophobicContact CB-CB 4.24Å; L553-A791 HydrophobicContact CB-CB 4.11Å; I554-A791 HydrophobicContact CD1-CB 4.39Å; I554-A791 HydrophobicContact CG1-CB 3.64Å; V776-A791 HydrophobicContact CG1-CB 3.85Å; I787-A791 VanDerWaalsContact O-CB 3.26Å; I787-A791 WeakPolarHBondContact O-CB 3.22Å; I787-A791 PolarHBondContact O-N 2.96Å; L788-A791 PolarHBondContact O-N 3.36Å; A791-S795 WeakPolarHBondContact O-CB 3.28Å; A791-S795 PolarHBondContact O-N 3.06Å; A791-S795 PolarHBondContact O-OG 3.44Å
792L89.8Confident86Confident43 Ų4334.7 Ų34.723%0.22520%0.195CC..Hα-helixtrans-62.8-44.7171.6-71.2170.2000110.9I546 L547 A550 L788 S795 I796I546-L792 HydrophobicContact CG2-CD2 3.97Å; L547-L792 HydrophobicContact CD2-CD2 3.87Å; A550-L792 HydrophobicContact CB-CD2 4.01Å; L788-L792 HydrophobicContact CD1-CD1 3.94Å; L788-L792 HydrophobicContact CD1-CG 4.28Å; L788-L792 HydrophobicContact CG-CD1 4.14Å; L788-L792 WeakPolarHBondContact O-CB 3.39Å; L788-L792 VanDerWaalsContact O-CG 3.26Å; L788-L792 WeakPolarHBondContact O-CG 3.21Å; L788-L792 PolarHBondContact O-N 3.35Å; L792-S795 PolarHBondContact O-N 3.3Å; L792-I796 WeakPolarHBondContact O-CB 3.03Å; L792-I796 WeakPolarHBondContact O-CD1 3.08Å; L792-I796 WeakPolarHBondContact O-CG1 3.44Å; L792-I796 PolarHBondContact O-N 2.86Å
793L84.9Confident86.2Confident55 Ų5533.7 Ų33.729%0.28819%0.185SC..Hα-helixtrans-59.7-50.9175178.562.5000111.7L779 L789 S790 S795 I796 L797 V825L779-L793 HydrophobicContact CD2-CD2 4.21Å; L789-L793 VanDerWaalsContact O-CB 3.31Å; L789-L793 WeakPolarHBondContact O-CB 3.22Å; L789-L793 PolarHBondContact O-N 3.27Å; S790-L793 PolarHBondContact O-N 2.82Å; L793-S795 VanDerWaalsContact C-N 3.25Å; L793-S795 PolarHBondContact O-N 2.86Å; L793-I796 PolarHBondContact O-N 3.34Å; L793-L797 HydrophobicContact CD1-CD1 4.07Å; L793-L797 HydrophobicContact CD1-CD2 4.38Å; L793-L797 HydrophobicContact CD1-CG 4.02Å; L793-L797 HydrophobicContact CG-CD1 4.06Å; L793-L797 HydrophobicContact CG-CG 4.38Å; L793-L797 VanDerWaalsContact O-CG 3.28Å; L793-L797 WeakPolarHBondContact O-CG 3.34Å; L793-L797 PolarHBondContact O-N 2.86Å; L793-V825 HydrophobicContact CD2-CG1 4.19Å
794F87Confident86.2Confident4 Ų431.4 Ų31.42%0.01817%0.169CC..Hα-helixtrans-53.8-43.4175.5-104.8-110.2000111.9L553 D772 A775 V776 S790 L797 K798 I822L553-F794 HydrophobicContact CD1-CB 4.05Å; D772-F794 HydrophobicContact CB-CD1 4.4Å; D772-F794 HydrophobicContact CB-CE1 4.29Å; A775-F794 HydrophobicContact CB-CE1 4.38Å; A775-F794 HydrophobicContact CB-CE2 4.25Å; A775-F794 HydrophobicContact CB-CZ 3.59Å; V776-F794 HydrophobicContact CG2-CB 3.97Å; V776-F794 HydrophobicContact CG2-CD1 4.09Å; V776-F794 HydrophobicContact CG2-CD2 3.54Å; V776-F794 HydrophobicContact CG2-CE1 4.48Å; V776-F794 HydrophobicContact CG2-CE2 3.98Å; V776-F794 HydrophobicContact CG2-CG 3.6Å; V776-F794 HydrophobicContact CG2-CZ 4.43Å; S790-F794 WeakPolarHBondContact O-CB 3.48Å; S790-F794 PolarHBondContact O-N 3.42Å; F794-L797 PolarHBondContact O-N 3.24Å; F794-K798 WeakPolarHBondContact O-CB 3.43Å; F794-K798 WeakPolarHBondContact O-CG 3.3Å; F794-K798 PolarHBondContact O-N 2.95Å; F794-I822 HydrophobicContact CD1-CD1 4.4Å; F794-I822 HydrophobicContact CD2-CD1 4.27Å; F794-I822 HydrophobicContact CE1-CD1 4.01Å; F794-I822 HydrophobicContact CE2-CD1 3.86Å; F794-I822 HydrophobicContact CE2-CG1 4.14Å; F794-I822 HydrophobicContact CE2-CG2 3.79Å; F794-I822 HydrophobicContact CZ-CD1 3.72Å; F794-I822 HydrophobicContact CZ-CG1 4.39Å; F794-I822 HydrophobicContact CZ-CG2 3.91Å
795S88.8Confident86Confident7 Ų734 Ų345%0.04918%0.178CC..Hα-helixtrans-72.4-37.7-178.5-53.10000112.6I546 G549 A550 A791 L792 L793 L799I546-S795 VanDerWaalsContact O-CB 3.3Å; I546-S795 WeakPolarHBondContact O-CB 3.44Å; G549-S795 VanDerWaalsContact C-OG 3.27Å; A550-S795 WeakPolarHBondContact CA-OG 3.42Å; A550-S795 PolarHBondContact N-OG 2.7Å; A791-S795 WeakPolarHBondContact O-CB 3.28Å; A791-S795 PolarHBondContact O-N 3.06Å; A791-S795 PolarHBondContact O-OG 3.44Å; L792-S795 PolarHBondContact O-N 3.3Å; L793-S795 VanDerWaalsContact C-N 3.25Å; L793-S795 PolarHBondContact O-N 2.86Å; S795-L799 WeakPolarHBondContact O-CB 3.47Å; S795-L799 PolarHBondContact O-N 3.35Å
796I88.6Confident85.8Confident28 Ų2837.7 Ų37.714%0.14419%0.187CC..Hα-helixtrans-60.5-46.6170.3-72.7158.5000110.3A536 F537 I546 L792 L793 G800A536-I796 HydrophobicContact CB-CG2 4.12Å; F537-I796 HydrophobicContact CE1-CD1 4.26Å; F537-I796 HydrophobicContact CE1-CG1 4.39Å; F537-I796 HydrophobicContact CZ-CD1 3.9Å; F537-I796 HydrophobicContact CZ-CG1 4.18Å; F537-I796 HydrophobicContact CZ-CG2 4.27Å; I546-I796 HydrophobicContact CD1-CG1 3.74Å; I546-I796 HydrophobicContact CG1-CG1 4.15Å; I546-I796 HydrophobicContact CG2-CG1 4.02Å; L792-I796 WeakPolarHBondContact O-CB 3.03Å; L792-I796 WeakPolarHBondContact O-CD1 3.08Å; L792-I796 WeakPolarHBondContact O-CG1 3.44Å; L792-I796 PolarHBondContact O-N 2.86Å; L793-I796 PolarHBondContact O-N 3.34Å; I796-G800 PolarHBondContact O-N 2.89Å
797L87Confident85.7Confident2 Ų240.8 Ų40.81%0.0121%0.206CC..Hα-helixtrans-66.6-44.7-179.7-64.8176.7000111.3M532 L793 F794 G800 G801 I818 I821 I822M532-L797 HydrophobicContact CE-CB 4.14Å; M532-L797 HydrophobicContact CE-CD2 3.52Å; M532-L797 HydrophobicContact CE-CG 4.41Å; M532-L797 HydrophobicContact SD-CD2 4.2Å; L793-L797 HydrophobicContact CD1-CD1 4.07Å; L793-L797 HydrophobicContact CD1-CD2 4.38Å; L793-L797 HydrophobicContact CD1-CG 4.02Å; L793-L797 HydrophobicContact CG-CD1 4.06Å; L793-L797 HydrophobicContact CG-CG 4.38Å; L793-L797 VanDerWaalsContact O-CG 3.28Å; L793-L797 WeakPolarHBondContact O-CG 3.34Å; L793-L797 PolarHBondContact O-N 2.86Å; F794-L797 PolarHBondContact O-N 3.24Å; L797-G800 PolarHBondContact O-N 3.2Å; L797-G801 PolarHBondContact O-N 3.02Å; L797-I818 HydrophobicContact CB-CG1 4.3Å; L797-I818 HydrophobicContact CB-CG2 3.92Å; L797-I818 WeakPolarHBondContact O-CD1 3.39Å; L797-I821 HydrophobicContact CD1-CG2 4.28Å; L797-I821 HydrophobicContact CD2-CG2 4.47Å; L797-I822 HydrophobicContact CD1-CD1 4.1Å; L797-I822 HydrophobicContact CD1-CG1 3.69Å
798K84.9Confident85.1Confident88 Ų8843.4 Ų43.438%0.38323%0.233SC..Hα-helixtrans-64-44.1177.7-74.2-168.4-178.8-162.80113D772 F794 G801D772-K798 WeakPolarHBondContact OD1-CE 3.34Å; D772-K798 IonicContact OD1-NZ 3.82Å; D772-K798 PolarHBondContact OD1-NZ 3.23Å; D772-K798 IonicContact OD2-NZ 2.68Å; D772-K798 PolarHBondContact OD2-NZ 3.35Å; F794-K798 WeakPolarHBondContact O-CB 3.43Å; F794-K798 WeakPolarHBondContact O-CG 3.3Å; F794-K798 PolarHBondContact O-N 2.95Å; K798-G801 PolarHBondContact O-N 2.99Å
799L86.1Confident84.8Confident30 Ų3041.6 Ų41.616%0.15722%0.224CC..Hα-helixtrans-67.4-38.5174.8-173.664.4000111.4S542 E545 I546 S795 G801 Q802 G803S542-L799 VanDerWaalsContact O-CD2 3.3Å; S542-L799 WeakPolarHBondContact O-CD2 3.46Å; E545-L799 HydrophobicContact CB-CD1 4.42Å; E545-L799 HydrophobicContact CB-CD2 4.2Å; I546-L799 HydrophobicContact CD1-CD2 4.18Å; I546-L799 HydrophobicContact CG1-CB 4.43Å; I546-L799 HydrophobicContact CG1-CD2 3.76Å; S795-L799 WeakPolarHBondContact O-CB 3.47Å; S795-L799 PolarHBondContact O-N 3.35Å; L799-G801 VanDerWaalsContact C-N 3.27Å; L799-G801 PolarHBondContact O-N 2.94Å; L799-Q802 WeakPolarHBondContact O-CB 3.33Å; L799-Q802 PolarHBondContact O-N 2.9Å; L799-G803 PolarHBondContact O-N 3.33Å; L799-G803 VanDerWaalsContact O-N 3.15Å
800G83.7Confident84.6Confident0 Ų038.5 Ų38.50%021%0.21CC..Hα-helixtrans-59.8-34.717400000113.3M532 I796 L797 Q802 G803 M804M532-G800 WeakPolarHBondContact CA-O 3.5Å; M532-G800 WeakPolarHBondContact O-CA 3.48Å; I796-G800 PolarHBondContact O-N 2.89Å; L797-G800 PolarHBondContact O-N 3.2Å; G800-Q802 VanDerWaalsContact C-N 3.28Å; G800-Q802 PolarHBondContact O-N 3.45Å; G800-G803 WeakPolarHBondContact O-CA 3.19Å; G800-G803 PolarHBondContact O-N 2.99Å; G800-G803 VanDerWaalsContact O-N 3.07Å; G800-M804 WeakPolarHBondContact O-CG 3.48Å; G800-M804 PolarHBondContact O-N 3.32Å
801G83.5Confident84.3Confident1 Ų140.1 Ų40.11%0.0122%0.221CC..Hα-helixtrans-59.9-35.8171.900000113.6L797 K798 L799 M804 Q805L797-G801 PolarHBondContact O-N 3.02Å; K798-G801 PolarHBondContact O-N 2.99Å; L799-G801 VanDerWaalsContact C-N 3.27Å; L799-G801 PolarHBondContact O-N 2.94Å; G801-M804 WeakPolarHBondContact O-CB 3.41Å; G801-M804 PolarHBondContact O-N 2.87Å; G801-Q805 VanDerWaalsContact O-CG 3.31Å; G801-Q805 WeakPolarHBondContact O-CG 3.38Å; G801-Q805 PolarHBondContact O-N 3.09Å; G801-Q805 PolarHBondContact O-NE2 3.08Å
802Q82.6Confident83.6Confident99 Ų9941.4 Ų41.446%0.46323%0.227SC..Hα-helixtrans-70.7-35.6173.1-60.7177.3-14.300111L799 G800 M804 Q805 F806L799-Q802 WeakPolarHBondContact O-CB 3.33Å; L799-Q802 PolarHBondContact O-N 2.9Å; G800-Q802 VanDerWaalsContact C-N 3.28Å; G800-Q802 PolarHBondContact O-N 3.45Å; Q802-M804 PolarHBondContact O-N 3.06Å; Q802-Q805 WeakPolarHBondContact O-CB 3.41Å; Q802-Q805 PolarHBondContact O-N 3.38Å; Q802-F806 WeakPolarHBondContact O-CD2 3.4Å; Q802-F806 PolarHBondContact O-N 2.92Å
803G82.1Confident83.3Confident4 Ų439.3 Ų39.34%0.04122%0.217CC..Hα-helixtrans-62.1-39170.500000114.4S535 L799 G800 Q805 F806 S807S535-G803 WeakPolarHBondContact OG-CA 3.32Å; L799-G803 PolarHBondContact O-N 3.33Å; L799-G803 VanDerWaalsContact O-N 3.15Å; G800-G803 WeakPolarHBondContact O-CA 3.19Å; G800-G803 PolarHBondContact O-N 2.99Å; G800-G803 VanDerWaalsContact O-N 3.07Å; G803-Q805 VanDerWaalsContact C-N 3.29Å; G803-Q805 PolarHBondContact O-N 3.22Å; G803-F806 PolarHBondContact O-N 3.22Å; G803-S807 PolarHBondContact O-N 3.26Å; G803-S807 VanDerWaalsContact O-N 3.15Å; G803-S807 PolarHBondContact O-OG 3.4Å
804M85.2Confident83.2Confident0 Ų036.7 Ų36.70%020%0.203CC..Hα-helixtrans-60.3-41172.2-68.2172.869.600110.9M518 G528 A531 M532 G800 G801 Q802 S807 G808 I809 A814 V817M518-M804 HydrophobicContact SD-CE 3.72Å; G528-M804 WeakPolarHBondContact O-CG 3.39Å; A531-M804 HydrophobicContact CB-CG 4.41Å; M532-M804 HydrophobicContact CB-CG 3.96Å; M532-M804 HydrophobicContact CB-SD 3.99Å; M532-M804 HydrophobicContact CE-SD 4.45Å; M532-M804 HydrophobicContact CG-SD 4.13Å; M532-M804 HydrophobicContact SD-SD 4.31Å; G800-M804 WeakPolarHBondContact O-CG 3.48Å; G800-M804 PolarHBondContact O-N 3.32Å; G801-M804 WeakPolarHBondContact O-CB 3.41Å; G801-M804 PolarHBondContact O-N 2.87Å; Q802-M804 PolarHBondContact O-N 3.06Å; M804-S807 CarbonylContact O-C 3.46Å; M804-S807 WeakPolarHBondContact O-CA 3.25Å; M804-S807 PolarHBondContact O-N 2.98Å; M804-S807 VanDerWaalsContact O-N 3.09Å; M804-G808 PolarHBondContact O-N 3.33Å; M804-I809 HydrophobicContact CB-CB 4.17Å; M804-I809 HydrophobicContact CB-CD1 4.3Å; M804-I809 HydrophobicContact CE-CD1 3.97Å; M804-I809 HydrophobicContact CE-CG2 4.19Å; M804-I809 HydrophobicContact CG-CD1 4.48Å; M804-I809 WeakPolarHBondContact O-CB 3.27Å; M804-I809 PolarHBondContact O-N 2.96Å; M804-A814 HydrophobicContact CB-CB 3.94Å; M804-A814 HydrophobicContact CE-CB 4.18Å; M804-A814 HydrophobicContact SD-CB 4.15Å; M804-V817 HydrophobicContact CE-CB 4.46Å
805Q82.7Confident82.9Confident71 Ų7140 Ų4033%0.33222%0.22SC..Hα-helixtrans-62.7-46.5175.8-66.5156.824.600112.6G801 Q802 G803 S807 G808 I809G801-Q805 VanDerWaalsContact O-CG 3.31Å; G801-Q805 WeakPolarHBondContact O-CG 3.38Å; G801-Q805 PolarHBondContact O-N 3.09Å; G801-Q805 PolarHBondContact O-NE2 3.08Å; Q802-Q805 WeakPolarHBondContact O-CB 3.41Å; Q802-Q805 PolarHBondContact O-N 3.38Å; G803-Q805 VanDerWaalsContact C-N 3.29Å; G803-Q805 PolarHBondContact O-N 3.22Å; Q805-S807 PolarHBondContact O-N 3.45Å; Q805-S807 VanDerWaalsContact O-N 3.14Å; Q805-G808 PolarHBondContact O-N 3.45Å; Q805-I809 VanDerWaalsContact CA-O 3.3Å; Q805-I809 WeakPolarHBondContact CA-O 3.23Å
806F77.7Confident82.5Confident185 Ų18539.6 Ų39.681%0.81122%0.218SC*.Hα-helixtrans-64-15.9173.6-68.1-61.1000113.8Q802 G803Q802-F806 WeakPolarHBondContact O-CD2 3.4Å; Q802-F806 PolarHBondContact O-N 2.92Å; G803-F806 PolarHBondContact O-N 3.22Å
807S79.7Confident82.3Confident76 Ų7638.3 Ų38.353%0.53121%0.211SC..THydrogen-bonded Turntrans-97.212.4174.6-510000113A531 G803 M804 Q805A531-S807 WeakPolarHBondContact CB-OG 3.3Å; G803-S807 PolarHBondContact O-N 3.26Å; G803-S807 VanDerWaalsContact O-N 3.15Å; G803-S807 PolarHBondContact O-OG 3.4Å; M804-S807 CarbonylContact O-C 3.46Å; M804-S807 WeakPolarHBondContact O-CA 3.25Å; M804-S807 PolarHBondContact O-N 2.98Å; M804-S807 VanDerWaalsContact O-N 3.09Å; Q805-S807 PolarHBondContact O-N 3.45Å; Q805-S807 VanDerWaalsContact O-N 3.14Å
808G79.3Confident82.1Confident54 Ų5438.6 Ų38.656%0.55721%0.213SC*.THydrogen-bonded Turntrans86.91.3175.400000115.8F523 M804 Q805 P810F523-G808 WeakPolarHBondContact CE1-O 3.37Å; M804-G808 PolarHBondContact O-N 3.33Å; Q805-G808 PolarHBondContact O-N 3.45Å; G808-P810 WeakPolarHBondContact O-CD 3.27Å
809I84.7Confident81.7Confident8 Ų834.9 Ų34.94%0.04120%0.198CC..  trans-82.2120175.6-55.1-177.8000108.9M518 F523 M804 Q805 L813M518-I809 HydrophobicContact SD-CD1 4.2Å; F523-I809 HydrophobicContact CB-CG1 4.49Å; F523-I809 HydrophobicContact CD1-CB 4.33Å; F523-I809 HydrophobicContact CD1-CG1 3.84Å; F523-I809 HydrophobicContact CD1-CG2 4.42Å; F523-I809 HydrophobicContact CG-CG1 4.36Å; F523-I809 HydrophobicContact CG-CG2 4.44Å; M804-I809 HydrophobicContact CB-CB 4.17Å; M804-I809 HydrophobicContact CB-CD1 4.3Å; M804-I809 HydrophobicContact CE-CD1 3.97Å; M804-I809 HydrophobicContact CE-CG2 4.19Å; M804-I809 HydrophobicContact CG-CD1 4.48Å; M804-I809 WeakPolarHBondContact O-CB 3.27Å; M804-I809 PolarHBondContact O-N 2.96Å; Q805-I809 VanDerWaalsContact CA-O 3.3Å; Q805-I809 WeakPolarHBondContact CA-O 3.23Å; I809-L813 HydrophobicContact CG2-CB 4.23Å; I809-L813 HydrophobicContact CG2-CD2 3.9Å; I809-L813 HydrophobicContact CG2-CG 4.06Å
810P81.5Confident81.4Confident45 Ų4534.4 Ų34.429%0.29220%0.195SC..  trans-54.3144.8-176.3-3240.1000113.8F523 G808 E812 L813 A814 F965F523-P810 HydrophobicContact CZ-CG 3.97Å; G808-P810 WeakPolarHBondContact O-CD 3.27Å; P810-E812 PolarHBondContact O-N 2.64Å; P810-E812 VanDerWaalsContact O-N 3.11Å; P810-L813 PolarHBondContact O-N 3.46Å; P810-A814 PolarHBondContact O-N 3.33Å; P810-F965 HydrophobicContact CB-CD2 3.98Å; P810-F965 HydrophobicContact CB-CE2 3.88Å; P810-F965 HydrophobicContact CG-CD2 4.5Å; P810-F965 HydrophobicContact CG-CE2 3.91Å
811S79.1Confident81.2Confident42 Ų4234.5 Ų34.529%0.29420%0.196SC..Hα-helixtrans-56.8-33.8-171.7710000113.1A814 N815S811-A814 PolarHBondContact O-N 2.83Å; S811-N815 WeakPolarHBondContact O-CB 3.31Å; S811-N815 PolarHBondContact O-N 3.44Å; S811-N815 PolarHBondContact O-ND2 2.8Å; S811-N815 VanDerWaalsContact O-ND2 3.17Å
812E77.6Confident80.7Confident27 Ų2734.9 Ų34.913%0.12620%0.197CC..Hα-helixtrans-73.3-37.2-177.1-5894.5141.300111.4P810 S816 P961 I964 F965 K968P810-E812 PolarHBondContact O-N 2.64Å; P810-E812 VanDerWaalsContact O-N 3.11Å; E812-S816 WeakPolarHBondContact O-CB 3.33Å; E812-S816 PolarHBondContact O-N 2.89Å; E812-S816 PolarHBondContact O-OG 2.79Å; E812-P961 WeakPolarHBondContact CB-O 3.46Å; E812-P961 WeakPolarHBondContact O-CB 3.13Å; E812-I964 HydrophobicContact CG-CB 4.44Å; E812-I964 HydrophobicContact CG-CG2 4.07Å; E812-F965 HydrophobicContact CB-CB 3.63Å; E812-F965 HydrophobicContact CB-CD2 4.31Å; E812-F965 HydrophobicContact CB-CG 4.42Å; E812-K968 VanDerWaalsContact OE1-CD 3.31Å; E812-K968 WeakPolarHBondContact OE1-CD 3.36Å; E812-K968 WeakPolarHBondContact OE1-CE 3.4Å; E812-K968 IonicContact OE1-NZ 3.57Å; E812-K968 PolarHBondContact OE1-NZ 3.12Å
813L82.3Confident80.1Confident0 Ų030.9 Ų30.90%018%0.179CC..Hα-helixtrans-72.9-41.3171.9178.956.8000111.4L517 M518 F521 F523 I809 P810 S816 V817 F965L517-L813 HydrophobicContact CD2-CD1 3.74Å; L517-L813 HydrophobicContact CG-CD1 3.85Å; M518-L813 HydrophobicContact CG-CD2 4.44Å; F521-L813 HydrophobicContact CB-CD2 4.48Å; F521-L813 HydrophobicContact CD2-CD1 4.22Å; F523-L813 HydrophobicContact CD2-CD2 3.42Å; F523-L813 VanDerWaalsContact CD2-CD2 3.42Å; F523-L813 HydrophobicContact CE2-CD2 3.87Å; F523-L813 HydrophobicContact CG-CD2 4.14Å; I809-L813 HydrophobicContact CG2-CB 4.23Å; I809-L813 HydrophobicContact CG2-CD2 3.9Å; I809-L813 HydrophobicContact CG2-CG 4.06Å; P810-L813 PolarHBondContact O-N 3.46Å; L813-S816 WeakPolarHBondContact O-CB 3.47Å; L813-S816 PolarHBondContact O-N 2.7Å; L813-S816 VanDerWaalsContact O-N 3.09Å; L813-V817 HydrophobicContact CD1-CG2 4.39Å; L813-V817 WeakPolarHBondContact O-CG2 3.25Å; L813-V817 PolarHBondContact O-N 2.76Å; L813-F965 HydrophobicContact CB-CD1 4.48Å; L813-F965 HydrophobicContact CB-CD2 3.76Å; L813-F965 HydrophobicContact CB-CE1 4.44Å; L813-F965 HydrophobicContact CB-CE2 3.7Å; L813-F965 HydrophobicContact CB-CG 4.15Å; L813-F965 HydrophobicContact CB-CZ 4.06Å; L813-F965 HydrophobicContact CD1-CE1 4.48Å; L813-F965 HydrophobicContact CD2-CE1 4.37Å; L813-F965 HydrophobicContact CD2-CE2 4.12Å; L813-F965 HydrophobicContact CD2-CZ 3.8Å; L813-F965 HydrophobicContact CG-CE2 4.48Å; L813-F965 HydrophobicContact CG-CZ 4.39Å
814A82.6Confident79.4Confident0 Ų031.2 Ų31.20%018%0.179CC..Hα-helixtrans-60.9-45173.100000111.7M804 P810 S811 S816 V817 I818M804-A814 HydrophobicContact CB-CB 3.94Å; M804-A814 HydrophobicContact CE-CB 4.18Å; M804-A814 HydrophobicContact SD-CB 4.15Å; P810-A814 PolarHBondContact O-N 3.33Å; S811-A814 PolarHBondContact O-N 2.83Å; A814-S816 PolarHBondContact O-N 3.01Å; A814-V817 PolarHBondContact O-N 3.05Å; A814-I818 WeakPolarHBondContact O-CD1 3.42Å; A814-I818 WeakPolarHBondContact O-CG1 3.4Å; A814-I818 PolarHBondContact O-N 2.93Å
815N80.5Confident78.4Confident72 Ų7232.9 Ų32.939%0.38519%0.189SC..Hα-helixtrans-68.1-14.7174.4-71.2-20.9000113.3S811 P819 P961S811-N815 WeakPolarHBondContact O-CB 3.31Å; S811-N815 PolarHBondContact O-N 3.44Å; S811-N815 PolarHBondContact O-ND2 2.8Å; S811-N815 VanDerWaalsContact O-ND2 3.17Å; N815-P819 WeakPolarHBondContact O-CD 3.48Å; N815-P819 VanDerWaalsContact O-CG 3.24Å; N815-P819 WeakPolarHBondContact O-CG 3.18Å; N815-P961 HydrophobicContact CB-CB 3.99Å; N815-P961 HydrophobicContact CB-CG 4.18Å
816S80.7Confident77.5Confident0 Ų029.7 Ų29.70%017%0.174CC..Hα-helixtrans-85.6-41.1170.1-60.80000112.1E812 L813 A814 I818 P819 L820 L958 L962E812-S816 WeakPolarHBondContact O-CB 3.33Å; E812-S816 PolarHBondContact O-N 2.89Å; E812-S816 PolarHBondContact O-OG 2.79Å; L813-S816 WeakPolarHBondContact O-CB 3.47Å; L813-S816 PolarHBondContact O-N 2.7Å; L813-S816 VanDerWaalsContact O-N 3.09Å; A814-S816 PolarHBondContact O-N 3.01Å; S816-I818 VanDerWaalsContact C-N 3.34Å; S816-I818 PolarHBondContact O-N 3.22Å; S816-P819 WeakPolarHBondContact O-CD 3.29Å; S816-L820 WeakPolarHBondContact O-CB 3.16Å; S816-L820 PolarHBondContact O-N 3.36Å; S816-L958 WeakPolarHBondContact O-CD1 3.4Å; S816-L962 WeakPolarHBondContact OG-CA 3.18Å; S816-L962 PolarHBondContact OG-N 3.27Å
817V84.9Confident76.4Confident0 Ų021 Ų210%014%0.136CC..Hα-helixtrans-66-34.2-179.9170.80000112.1L517 M518 Y529 M804 L813 A814 L820 I821L517-V817 HydrophobicContact CD2-CG2 4.12Å; M518-V817 HydrophobicContact CE-CG1 4.41Å; M518-V817 HydrophobicContact CE-CG2 4.44Å; M518-V817 HydrophobicContact CG-CG2 4.12Å; M518-V817 HydrophobicContact SD-CG2 4.47Å; Y529-V817 HydrophobicContact CE1-CG1 3.79Å; M804-V817 HydrophobicContact CE-CB 4.46Å; L813-V817 HydrophobicContact CD1-CG2 4.39Å; L813-V817 WeakPolarHBondContact O-CG2 3.25Å; L813-V817 PolarHBondContact O-N 2.76Å; A814-V817 PolarHBondContact O-N 3.05Å; V817-L820 PolarHBondContact O-N 3.43Å; V817-I821 HydrophobicContact CG1-CD1 3.8Å; V817-I821 HydrophobicContact CG1-CG1 4.44Å; V817-I821 WeakPolarHBondContact O-CG1 3.16Å; V817-I821 PolarHBondContact O-N 3.4Å
818I83.6Confident75.1Confident8 Ų819.3 Ų19.34%0.04112%0.121CC..Hα-helixtrans-65.1-56.3-178.3-71157.8000113M532 L797 A814 S816 L820 I821 I822M532-I818 HydrophobicContact CE-CD1 4.31Å; M532-I818 HydrophobicContact CE-CG1 3.46Å; M532-I818 VanDerWaalsContact CE-CG1 3.46Å; L797-I818 HydrophobicContact CB-CG1 4.3Å; L797-I818 HydrophobicContact CB-CG2 3.92Å; L797-I818 WeakPolarHBondContact O-CD1 3.39Å; A814-I818 WeakPolarHBondContact O-CD1 3.42Å; A814-I818 WeakPolarHBondContact O-CG1 3.4Å; A814-I818 PolarHBondContact O-N 2.93Å; S816-I818 VanDerWaalsContact C-N 3.34Å; S816-I818 PolarHBondContact O-N 3.22Å; I818-L820 VanDerWaalsContact C-N 3.28Å; I818-L820 PolarHBondContact O-N 3.39Å; I818-I821 PolarHBondContact O-N 2.87Å; I818-I822 HydrophobicContact CG2-CD1 3.8Å; I818-I822 WeakPolarHBondContact O-CD1 3.49Å; I818-I822 WeakPolarHBondContact O-CG1 3.42Å; I818-I822 PolarHBondContact O-N 3.25Å; I818-I822 VanDerWaalsContact O-N 3.12Å
819P75.2Confident73.6Confident11 Ų1120.5 Ų20.57%0.07111%0.11CC..Hα-helixtrans-55.9-42.7173.6-23.432.6000111.8N815 S816 I821 I822 F823 V954 L957 L958N815-P819 WeakPolarHBondContact O-CD 3.48Å; N815-P819 VanDerWaalsContact O-CG 3.24Å; N815-P819 WeakPolarHBondContact O-CG 3.18Å; S816-P819 WeakPolarHBondContact O-CD 3.29Å; P819-I821 VanDerWaalsContact C-N 3.32Å; P819-I821 PolarHBondContact O-N 3.24Å; P819-I822 CarbonylContact O-C 3.59Å; P819-I822 WeakPolarHBondContact O-CA 3.33Å; P819-I822 WeakPolarHBondContact O-CB 3.22Å; P819-I822 PolarHBondContact O-N 2.79Å; P819-F823 PolarHBondContact O-N 2.84Å; P819-V954 HydrophobicContact CB-CG1 3.75Å; P819-V954 WeakPolarHBondContact O-CG1 3.48Å; P819-L957 HydrophobicContact CB-CB 4.08Å; P819-L957 HydrophobicContact CG-CB 3.98Å; P819-L958 HydrophobicContact CB-CB 4.41Å
820L80Confident71.8Confident20 Ų2022.2 Ų22.211%0.10512%0.118CC..Hα-helixtrans-60.5-36.1179.6-175.861000113.2L513 L517 S816 V817 I818 F823 F824L513-L820 HydrophobicContact CB-CD1 4.4Å; L513-L820 HydrophobicContact CB-CD2 4.03Å; L513-L820 HydrophobicContact CB-CG 4.42Å; L517-L820 HydrophobicContact CD2-CD2 4.4Å; S816-L820 WeakPolarHBondContact O-CB 3.16Å; S816-L820 PolarHBondContact O-N 3.36Å; V817-L820 PolarHBondContact O-N 3.43Å; I818-L820 VanDerWaalsContact C-N 3.28Å; I818-L820 PolarHBondContact O-N 3.39Å; L820-F823 WeakPolarHBondContact O-CB 3.23Å; L820-F824 HydrophobicContact CD1-CD2 4.3Å; L820-F824 HydrophobicContact CD1-CE2 3.99Å; L820-F824 WeakPolarHBondContact O-CD2 3.39Å
821I78.9Confident69.8Low2 Ų220.6 Ų20.61%0.0111%0.108CC..Hα-helixtrans-67.7-45.8171.1-70.6164.8000110.6F511 Y529 M532 L797 V817 I818 P819 F823 F824 V825F511-I821 HydrophobicContact CD1-CD1 4.13Å; F511-I821 HydrophobicContact CD1-CG1 4.23Å; F511-I821 HydrophobicContact CE1-CD1 3.84Å; F511-I821 HydrophobicContact CE1-CG1 4.11Å; F511-I821 HydrophobicContact CE1-CG2 4.03Å; F511-I821 HydrophobicContact CE2-CG2 4.2Å; F511-I821 HydrophobicContact CZ-CG2 3.7Å; Y529-I821 HydrophobicContact CE1-CD1 3.88Å; M532-I821 HydrophobicContact CE-CD1 4.23Å; M532-I821 HydrophobicContact SD-CD1 4.31Å; L797-I821 HydrophobicContact CD1-CG2 4.28Å; L797-I821 HydrophobicContact CD2-CG2 4.47Å; V817-I821 HydrophobicContact CG1-CD1 3.8Å; V817-I821 HydrophobicContact CG1-CG1 4.44Å; V817-I821 WeakPolarHBondContact O-CG1 3.16Å; V817-I821 PolarHBondContact O-N 3.4Å; I818-I821 PolarHBondContact O-N 2.87Å; P819-I821 VanDerWaalsContact C-N 3.32Å; P819-I821 PolarHBondContact O-N 3.24Å; I821-F823 VanDerWaalsContact C-N 3.31Å; I821-F823 PolarHBondContact O-N 3.02Å; I821-F824 PolarHBondContact O-N 3.43Å; I821-V825 HydrophobicContact CG2-CG2 4.07Å; I821-V825 WeakPolarHBondContact O-CG2 3.06Å; I821-V825 PolarHBondContact O-N 3.29Å
822I73.5Confident67.9Low8 Ų827.6 Ų27.64%0.04113%0.128CC..Hα-helixtrans-59.4-41.4-179.6-66.5160.1000111.2F794 L797 I818 P819 F824 V825 A826 V954F794-I822 HydrophobicContact CD1-CD1 4.4Å; F794-I822 HydrophobicContact CD2-CD1 4.27Å; F794-I822 HydrophobicContact CE1-CD1 4.01Å; F794-I822 HydrophobicContact CE2-CD1 3.86Å; F794-I822 HydrophobicContact CE2-CG1 4.14Å; F794-I822 HydrophobicContact CE2-CG2 3.79Å; F794-I822 HydrophobicContact CZ-CD1 3.72Å; F794-I822 HydrophobicContact CZ-CG1 4.39Å; F794-I822 HydrophobicContact CZ-CG2 3.91Å; L797-I822 HydrophobicContact CD1-CD1 4.1Å; L797-I822 HydrophobicContact CD1-CG1 3.69Å; I818-I822 HydrophobicContact CG2-CD1 3.8Å; I818-I822 WeakPolarHBondContact O-CD1 3.49Å; I818-I822 WeakPolarHBondContact O-CG1 3.42Å; I818-I822 PolarHBondContact O-N 3.25Å; I818-I822 VanDerWaalsContact O-N 3.12Å; P819-I822 CarbonylContact O-C 3.59Å; P819-I822 WeakPolarHBondContact O-CA 3.33Å; P819-I822 WeakPolarHBondContact O-CB 3.22Å; P819-I822 PolarHBondContact O-N 2.79Å; I822-F824 VanDerWaalsContact C-N 3.35Å; I822-F824 PolarHBondContact O-N 3.18Å; I822-V825 PolarHBondContact O-N 3.2Å; I822-A826 VanDerWaalsContact O-CB 3.3Å; I822-A826 WeakPolarHBondContact O-CB 3.49Å; I822-A826 PolarHBondContact O-N 3.05Å; I822-V954 HydrophobicContact CG2-CG2 4.23Å
823F70.4Confident66.2Low16 Ų1629.8 Ų29.87%0.0714%0.143CC..Hα-helixtrans-46.2-55.7173.4-165.2-96.8000111.8P819 L820 I821 I827 A940 S951 V954 M955P819-F823 PolarHBondContact O-N 2.84Å; L820-F823 WeakPolarHBondContact O-CB 3.23Å; I821-F823 VanDerWaalsContact C-N 3.31Å; I821-F823 PolarHBondContact O-N 3.02Å; F823-I827 HydrophobicContact CD1-CD1 3.43Å; F823-I827 VanDerWaalsContact CD1-CD1 3.43Å; F823-I827 HydrophobicContact CE1-CD1 3.59Å; F823-I827 HydrophobicContact CG-CD1 4.34Å; F823-I827 WeakPolarHBondContact O-CB 3.22Å; F823-I827 WeakPolarHBondContact O-CD1 3.37Å; F823-I827 VanDerWaalsContact O-CG1 3.3Å; F823-I827 WeakPolarHBondContact O-CG1 3.43Å; F823-I827 PolarHBondContact O-N 3.02Å; F823-A940 HydrophobicContact CE1-CB 3.34Å; F823-A940 HydrophobicContact CE2-CB 4.47Å; F823-A940 HydrophobicContact CZ-CB 3.31Å; F823-S951 VanDerWaalsContact CE2-CB 3.41Å; F823-S951 WeakPolarHBondContact CE2-O 3.45Å; F823-V954 HydrophobicContact CB-CG1 3.73Å; F823-V954 HydrophobicContact CD2-CB 3.98Å; F823-V954 HydrophobicContact CD2-CG1 3.64Å; F823-V954 HydrophobicContact CG-CG1 4.17Å; F823-M955 HydrophobicContact CE2-CG 4.13Å; F823-M955 HydrophobicContact CE2-SD 4.38Å
824F68.1Low64.5Low10 Ų1031 Ų314%0.04416%0.156CC..Hα-helixtrans-82-25.4-172.8-78-74.6000113.7L509 G510 L513 L820 I821 I822 I827 N828 F944L509-F824 HydrophobicContact CB-CD1 3.96Å; L509-F824 HydrophobicContact CB-CE1 3.8Å; L509-F824 HydrophobicContact CB-CZ 4.28Å; L509-F824 HydrophobicContact CD2-CE1 3.74Å; L509-F824 HydrophobicContact CD2-CZ 3.81Å; L509-F824 HydrophobicContact CG-CE1 3.95Å; L509-F824 HydrophobicContact CG-CZ 3.98Å; G510-F824 VanDerWaalsContact CA-CG 3.41Å; L513-F824 HydrophobicContact CD1-CE2 3.62Å; L513-F824 HydrophobicContact CD1-CZ 3.76Å; L820-F824 HydrophobicContact CD1-CD2 4.3Å; L820-F824 HydrophobicContact CD1-CE2 3.99Å; L820-F824 WeakPolarHBondContact O-CD2 3.39Å; I821-F824 PolarHBondContact O-N 3.43Å; I822-F824 VanDerWaalsContact C-N 3.35Å; I822-F824 PolarHBondContact O-N 3.18Å; F824-I827 HydrophobicContact CD1-CD1 3.72Å; F824-I827 HydrophobicContact CD1-CG2 4.31Å; F824-I827 HydrophobicContact CE1-CD1 3.82Å; F824-I827 HydrophobicContact CG-CD1 4.32Å; F824-N828 WeakPolarHBondContact O-CB 3.43Å; F824-N828 PolarHBondContact O-N 3.19Å; F824-F944 HydrophobicContact CE1-CD2 4.05Å; F824-F944 HydrophobicContact CE1-CE2 4.44Å
825V64.5Low62Low36 Ų3634.6 Ų34.622%0.21817%0.174CC..Hα-helixtrans-72.4-37.9170.4176.90000111.1F511 L779 L793 I821 I822 N828 Y829F511-V825 HydrophobicContact CE2-CG2 4.5Å; L779-V825 HydrophobicContact CD1-CG1 4.18Å; L793-V825 HydrophobicContact CD2-CG1 4.19Å; I821-V825 HydrophobicContact CG2-CG2 4.07Å; I821-V825 WeakPolarHBondContact O-CG2 3.06Å; I821-V825 PolarHBondContact O-N 3.29Å; I822-V825 PolarHBondContact O-N 3.2Å; V825-N828 WeakPolarHBondContact O-CB 3.43Å; V825-N828 PolarHBondContact O-N 3.5Å; V825-Y829 PolarHBondContact O-N 3.41Å; V825-Y829 VanDerWaalsContact O-N 3.11Å
826A62.5Low59.8Low3 Ų335.3 Ų35.33%0.02519%0.191CC..Hα-helixtrans-65.5-50.1172.300000111.7L779 I822 N828 Y829 I830 I950L779-A826 HydrophobicContact CD1-CB 4.12Å; I822-A826 VanDerWaalsContact O-CB 3.3Å; I822-A826 WeakPolarHBondContact O-CB 3.49Å; I822-A826 PolarHBondContact O-N 3.05Å; A826-N828 VanDerWaalsContact C-N 3.25Å; A826-N828 PolarHBondContact O-N 3.17Å; A826-Y829 PolarHBondContact O-N 3.29Å; A826-I830 HydrophobicContact CB-CD1 4.47Å; A826-I830 WeakPolarHBondContact O-CD1 3.48Å; A826-I830 PolarHBondContact O-N 3.17Å; A826-I950 HydrophobicContact CB-CD1 4.17Å; A826-I950 HydrophobicContact CB-CG2 3.68Å
827I54.7Low57.9Low2 Ų242.7 Ų42.71%0.0122%0.222CC..Hα-helixtrans-44-48.9168.4-86.9165.9000112.1A506 F823 F824 I830 V831 A940 F944 A946A506-I827 HydrophobicContact CB-CG2 3.24Å; F823-I827 HydrophobicContact CD1-CD1 3.43Å; F823-I827 VanDerWaalsContact CD1-CD1 3.43Å; F823-I827 HydrophobicContact CE1-CD1 3.59Å; F823-I827 HydrophobicContact CG-CD1 4.34Å; F823-I827 WeakPolarHBondContact O-CB 3.22Å; F823-I827 WeakPolarHBondContact O-CD1 3.37Å; F823-I827 VanDerWaalsContact O-CG1 3.3Å; F823-I827 WeakPolarHBondContact O-CG1 3.43Å; F823-I827 PolarHBondContact O-N 3.02Å; F824-I827 HydrophobicContact CD1-CD1 3.72Å; F824-I827 HydrophobicContact CD1-CG2 4.31Å; F824-I827 HydrophobicContact CE1-CD1 3.82Å; F824-I827 HydrophobicContact CG-CD1 4.32Å; I827-I830 PolarHBondContact O-N 2.82Å; I827-V831 WeakPolarHBondContact O-CB 3.17Å; I827-V831 VanDerWaalsContact O-CG2 3.25Å; I827-V831 WeakPolarHBondContact O-CG2 3.27Å; I827-V831 PolarHBondContact O-N 3Å; I827-A940 HydrophobicContact CD1-CB 4.04Å; I827-F944 HydrophobicContact CD1-CB 4.33Å; I827-F944 HydrophobicContact CG2-CB 3.96Å; I827-A946 HydrophobicContact CD1-CB 3.86Å; I827-A946 HydrophobicContact CG1-CB 3.38Å
828N53.1Low55.6Low41 Ų4146.9 Ų46.922%0.21925%0.248CC..Hα-helixtrans-62.1-45.4177.616930.5000112.7V507 F824 V825 A826 I830 V831 R832V507-N828 HydrophobicContact CB-CB 4.06Å; V507-N828 HydrophobicContact CG1-CB 3.76Å; V507-N828 WeakPolarHBondContact CG1-ND2 3.22Å; V507-N828 HydrophobicContact CG2-CB 3.7Å; V507-N828 WeakPolarHBondContact CG2-OD1 3.06Å; F824-N828 WeakPolarHBondContact O-CB 3.43Å; F824-N828 PolarHBondContact O-N 3.19Å; V825-N828 WeakPolarHBondContact O-CB 3.43Å; V825-N828 PolarHBondContact O-N 3.5Å; A826-N828 VanDerWaalsContact C-N 3.25Å; A826-N828 PolarHBondContact O-N 3.17Å; N828-I830 VanDerWaalsContact C-N 3.35Å; N828-V831 PolarHBondContact O-N 3.09Å; N828-R832 PolarHBondContact O-N 3.18Å
829Y47.1Very low52.9Low79 Ų7948.8 Ų48.831%0.3126%0.257SS..Hα-helixtrans-63.6-43179.2-165.3-75.7000111.3N781 V825 A826 R832 V833N781-Y829 HydrophobicContact CB-CE1 3.6Å; N781-Y829 WeakPolarHBondContact CB-OH 3.36Å; V825-Y829 PolarHBondContact O-N 3.41Å; V825-Y829 VanDerWaalsContact O-N 3.11Å; A826-Y829 PolarHBondContact O-N 3.29Å; Y829-R832 WeakPolarHBondContact O-CB 3.31Å; Y829-R832 PolarHBondContact O-N 3.48Å; Y829-R832 VanDerWaalsContact O-N 3.16Å; Y829-V833 HydrophobicContact CD1-CG2 4.07Å; Y829-V833 HydrophobicContact CE1-CG2 3.67Å; Y829-V833 PolarHBondContact O-N 2.99Å
830I46.4Very low50.6Low44 Ų4449.1 Ų49.123%0.22626%0.263CS..Hα-helixtrans-69.6-37.1178.4-69.9146.7000111.3A826 I827 N828 R832 V833 G834 R945 D947 I950A826-I830 HydrophobicContact CB-CD1 4.47Å; A826-I830 WeakPolarHBondContact O-CD1 3.48Å; A826-I830 PolarHBondContact O-N 3.17Å; I827-I830 PolarHBondContact O-N 2.82Å; N828-I830 VanDerWaalsContact C-N 3.35Å; I830-R832 VanDerWaalsContact C-N 3.3Å; I830-R832 PolarHBondContact O-N 2.96Å; I830-V833 PolarHBondContact O-N 3.44Å; I830-V833 VanDerWaalsContact O-N 3.12Å; I830-G834 PolarHBondContact O-N 2.87Å; I830-R945 VanDerWaalsContact CG2-O 3.32Å; I830-R945 WeakPolarHBondContact CG2-O 3.32Å; I830-D947 HydrophobicContact CD1-CB 3.32Å; I830-D947 HydrophobicContact CG1-CB 4.23Å; I830-D947 HydrophobicContact CG2-CB 4.5Å; I830-I950 HydrophobicContact CD1-CD1 3.58Å
831V40.1Very low48Very low12 Ų1250.9 Ų50.97%0.07329%0.285CS..Hα-helixtrans-56.3-43.1168.2162.80000111.2A506 I827 N828 V833 L835 F944 R945A506-V831 HydrophobicContact CB-CG2 3.94Å; I827-V831 WeakPolarHBondContact O-CB 3.17Å; I827-V831 VanDerWaalsContact O-CG2 3.25Å; I827-V831 WeakPolarHBondContact O-CG2 3.27Å; I827-V831 PolarHBondContact O-N 3Å; N828-V831 PolarHBondContact O-N 3.09Å; V831-V833 VanDerWaalsContact C-N 3.3Å; V831-V833 PolarHBondContact O-N 3.4Å; V831-L835 HydrophobicContact CG1-CD1 3.96Å; V831-L835 HydrophobicContact CG1-CG 4.45Å; V831-L835 WeakPolarHBondContact O-CB 3.47Å; V831-L835 WeakPolarHBondContact O-CD1 3.29Å; V831-L835 WeakPolarHBondContact O-CG 3.39Å; V831-L835 PolarHBondContact O-N 3.16Å; V831-L835 VanDerWaalsContact O-N 3.07Å; V831-F944 WeakPolarHBondContact CG2-O 3.45Å; V831-R945 HydrophobicContact CG2-CB 3.94Å
832R38.8Very low45.4Very low189 Ų18959.4 Ų59.471%0.71332%0.322SS*.Hα-helixtrans-63.1-31.7176.4-78.8-175.5168.9-154.3-3.2113.6N828 Y829 I830N828-R832 PolarHBondContact O-N 3.18Å; Y829-R832 WeakPolarHBondContact O-CB 3.31Å; Y829-R832 PolarHBondContact O-N 3.48Å; Y829-R832 VanDerWaalsContact O-N 3.16Å; I830-R832 VanDerWaalsContact C-N 3.3Å; I830-R832 PolarHBondContact O-N 2.96Å
833V43.4Very low43.1Very low72 Ų7268.1 Ų68.144%0.43636%0.36SS..Hα-helixtrans-87.9-46.2-179.2178.20000111.7Y829 I830 V831 L835 A836Y829-V833 HydrophobicContact CD1-CG2 4.07Å; Y829-V833 HydrophobicContact CE1-CG2 3.67Å; Y829-V833 PolarHBondContact O-N 2.99Å; I830-V833 PolarHBondContact O-N 3.44Å; I830-V833 VanDerWaalsContact O-N 3.12Å; V831-V833 VanDerWaalsContact C-N 3.3Å; V831-V833 PolarHBondContact O-N 3.4Å; V833-L835 VanDerWaalsContact C-N 3.3Å; V833-L835 PolarHBondContact O-N 3.02Å; V833-A836 PolarHBondContact O-N 3.14Å
834G44.6Very low40.9Very low26 Ų2675 Ų7527%0.26839%0.393SS..Hα-helixtrans-69.7-20.8179.500000114.4I830 A836 K837I830-G834 PolarHBondContact O-N 2.87Å; G834-A836 PolarHBondContact O-N 3.09Å; G834-K837 CarbonylContact O-C 3.54Å; G834-K837 PolarHBondContact O-N 3Å
835L31.7Very low38.8Very low75 Ų7581.3 Ų81.339%0.39343%0.431SS..THydrogen-bonded Turntrans-57.5-24.6168.7-94.8168.4000113.2A504 V831 V833 M839A504-L835 HydrophobicContact CB-CD1 4.42Å; A504-L835 HydrophobicContact CB-CD2 3.43Å; A504-L835 VanDerWaalsContact CB-CD2 3.43Å; A504-L835 HydrophobicContact CB-CG 4.01Å; V831-L835 HydrophobicContact CG1-CD1 3.96Å; V831-L835 HydrophobicContact CG1-CG 4.45Å; V831-L835 WeakPolarHBondContact O-CB 3.47Å; V831-L835 WeakPolarHBondContact O-CD1 3.29Å; V831-L835 WeakPolarHBondContact O-CG 3.39Å; V831-L835 PolarHBondContact O-N 3.16Å; V831-L835 VanDerWaalsContact O-N 3.07Å; V833-L835 VanDerWaalsContact C-N 3.3Å; V833-L835 PolarHBondContact O-N 3.02Å; L835-M839 HydrophobicContact CD2-CE 3.86Å; L835-M839 HydrophobicContact CD2-CG 4.27Å; L835-M839 HydrophobicContact CD2-SD 3.47Å; L835-M839 WeakPolarHBondContact CD2-SD 3.32Å
836A34.1Very low36.9Very low88 Ų8884.5 Ų84.573%0.72746%0.462SS*.THydrogen-bonded Turntrans-86.1-7.8179.500000114.4V833 G834V833-A836 PolarHBondContact O-N 3.14Å; G834-A836 PolarHBondContact O-N 3.09Å
837K40.7Very low35.1Very low154 Ų15490.5 Ų90.567%0.6750%0.498SS*.SBendtrans-140101.9179.4-80.6-168.7173.4-173.80111.8G834G834-K837 CarbonylContact O-C 3.54Å; G834-K837 PolarHBondContact O-N 3Å
838V35.2Very low33.6Very low89 Ų8996.9 Ų96.954%0.53954%0.537SS..  trans54.861163-159.80000113.8R500 G840 R945R500-V838 HydrophobicContact CB-CG1 3.58Å; V838-G840 PolarHBondContact O-N 3.02Å; V838-R945 PolarHBondContact O-NH2 3.11Å
839M28.3Very low32.2Very low48 Ų48103.2 Ų103.224%0.23657%0.565CS.*  -37.6108.2116.5-51.3170.671.900108A501 E502 L503 A504 L835A501-M839 WeakPolarHBondContact CA-O 3.13Å; E502-M839 WeakPolarHBondContact OE1-CB 3.5Å; E502-M839 WeakPolarHBondContact OE1-CE 3.46Å; E502-M839 VanDerWaalsContact OE2-CE 3.28Å; E502-M839 WeakPolarHBondContact OE2-CE 3.3Å; L503-M839 WeakPolarHBondContact O-CG 3.42Å; A504-M839 HydrophobicContact CB-CE 4.49Å; L835-M839 HydrophobicContact CD2-CE 3.86Å; L835-M839 HydrophobicContact CD2-CG 4.27Å; L835-M839 HydrophobicContact CD2-SD 3.47Å; L835-M839 WeakPolarHBondContact CD2-SD 3.32Å
840G26.2Very low31.1Very low18 Ų18108.1 Ų108.119%0.18659%0.591CS.*BIsolated β-bridgecis178-149.77.400000109.7A501 E502 V838A501-G840 VanDerWaalsContact C-CA 3.49Å; A501-G840 CarbonylContact C-O 3.58Å; A501-G840 VanDerWaalsContact C-O 3.25Å; A501-G840 VanDerWaalsContact CA-N 3.28Å; A501-G840 PolarHBondContact N-O 3.05Å; A501-G840 VanDerWaalsContact N-O 3.12Å; A501-G840 CarbonylContact O-C 3.51Å; E502-G840 VanDerWaalsContact N-CA 3.3Å; E502-G840 VanDerWaalsContact N-N 3.12Å; V838-G840 PolarHBondContact O-N 3.02Å
841G26.2Very low30.1Very low56 Ų56114 Ų11458%0.57762%0.621SS**  trans151.4156.3175.500000112.4A501A501-G841 WeakPolarHBondContact O-CA 3.46Å; A501-G841 PolarHBondContact O-N 3.49Å
842K23.9Very low29.3Very low181 Ų181122.5 Ų122.579%0.78766%0.66SS**  trans-143.2141-174.9-69.9-169.9177-169.80115.3
843K26Very low28.9Very low191 Ų191119.4 Ų119.483%0.8367%0.667SS**  170.6177.1127.4-96.7179.3173-173.90111.5
844E23Very low28.2Very low162 Ų162120.5 Ų120.576%0.75768%0.684SS**  -176.5110.7-56.1-170157.9-120.300110.4
845V23.8Very low27.6Very low141 Ų141125 Ų12586%0.85571%0.708SS**  trans20.2131.3159.1-170.60000122
846A25.4Very low27.5Very low104 Ų104129.1 Ų129.186%0.8673%0.731SS**  trans-155149.415000000114.5
847T24.3Very low27.1Very low128 Ų128133.5 Ų133.579%0.78574%0.736SS**  trans-100154.8-172.3-35.80000114.2
848V24.4Very low26.7Very low136 Ų136135.2 Ų135.282%0.82475%0.747SS**  trans-145.7161.6151.6176.10000110.8
849Q23.5Very low26.5Very low175 Ų175133.7 Ų133.782%0.81874%0.74SS**  trans-86.6178.5-156.2-60.7165-95.300118.6
850E22.4Very low27.2Very low181 Ų181137.4 Ų137.485%0.84676%0.757SS**  trans-75.3174.7176.1-55.8121.713300115.6
851I26.1Very low27.9Very low169 Ų169141.5 Ų141.587%0.86777%0.769SS**  trans-133.1136.9167.4-61.7177.1000108.6
852E23.9Very low28.3Very low190 Ų190140.4 Ų140.489%0.88876%0.758SS**  trans-91143.3-179.6-60.1175.8128.700112.9
853S29.3Very low29Very low123 Ų123132.7 Ų132.786%0.8673%0.73SS**  trans-154.8137.1159.2590000111
854A29.3Very low29.7Very low96 Ų96130.6 Ų130.679%0.79372%0.721SS**  trans-81.6162.1-174.700000113.4
855P32.3Very low31.1Very low120 Ų120127.3 Ų127.378%0.77971%0.712SS**  trans-89165-170.336.5-36.9000114.3
856N29Very low32.7Very low161 Ų161125.5 Ų125.586%0.86170%0.697SS**  trans-158.6169.7146.6-104.9-1.4000109.1
857E26.8Very low34.4Very low181 Ų181125.4 Ų125.485%0.84669%0.685SS**  trans-93.7158-148.8-69.1165.3143.200116.8
858E30.9Very low36.2Very low190 Ų190127.1 Ų127.189%0.88868%0.679SS**  trans36.6106162.1-58.9-163.2152.300120.7
859S31.9Very low38.3Very low57 Ų57122.3 Ų122.340%0.39965%0.651SS.*  trans-130.750168.352.20000113.5K861 G862 G863 S1188S859-K861 VanDerWaalsContact C-N 3.25Å; S859-K861 PolarHBondContact O-N 3.03Å; S859-G862 PolarHBondContact O-N 3.11Å; S859-G863 PolarHBondContact O-N 3.06Å; S859-S1188 VanDerWaalsContact CB-CB 3.49Å; S859-S1188 VanDerWaalsContact CB-OG 3.27Å; S859-S1188 WeakPolarHBondContact CB-OG 3.41Å
860E42.7Very low40.9Very low125 Ų125116.3 Ų116.358%0.58463%0.631SS**Hα-helixtrans-53.1-18.8-155.7-142.2-167.1-174.900118.2K864 R1233E860-K864 PolarHBondContact O-N 2.71Å; E860-R1233 IonicContact OE1-NH1 2.68Å; E860-R1233 PolarHBondContact OE1-NH1 3.37Å; E860-R1233 IonicContact OE2-NH1 2.73Å
861K40Very low43.5Very low104 Ų104110.3 Ų110.345%0.45261%0.608SS.*Hα-helixtrans-92.1-35.6176.5-66.4-169.2-178.9-175.30114.5S859 R1190S859-K861 VanDerWaalsContact C-N 3.25Å; S859-K861 PolarHBondContact O-N 3.03Å; K861-R1190 VanDerWaalsContact NZ-NH1 3.18Å
862G35.6Very low46Very low33 Ų33107.9 Ų107.934%0.3460%0.596SS.*Hα-helixtrans-63-37.2156.500000109.6S859 K864 T865 L866S859-G862 PolarHBondContact O-N 3.11Å; G862-K864 PolarHBondContact O-N 3.33Å; G862-T865 PolarHBondContact O-N 3.43Å; G862-T865 VanDerWaalsContact O-N 3.11Å; G862-L866 WeakPolarHBondContact O-CB 3.48Å; G862-L866 WeakPolarHBondContact O-CG 3.43Å; G862-L866 PolarHBondContact O-N 3.38Å
863G39.1Very low48.8Very low19 Ų19103.3 Ų103.320%0.19658%0.577CS.*Hα-helixtrans-42.6-5717300000114.2S859 T865 L866 V867S859-G863 PolarHBondContact O-N 3.06Å; G863-T865 PolarHBondContact O-N 2.83Å; G863-L866 CarbonylContact O-C 3.54Å; G863-L866 PolarHBondContact O-N 3.44Å; G863-V867 VanDerWaalsContact O-CB 3.31Å; G863-V867 WeakPolarHBondContact O-CB 3.33Å; G863-V867 VanDerWaalsContact O-CG2 3.24Å; G863-V867 WeakPolarHBondContact O-CG2 3.44Å; G863-V867 PolarHBondContact O-N 2.87Å
864K39.7Very low51.4Low148 Ų148103.4 Ų103.464%0.64357%0.567SS**Hα-helixtrans-60.6-43.8179.1-69-165.5178.5-172.40113.1E860 G862 L866 V867 Y868E860-K864 PolarHBondContact O-N 2.71Å; G862-K864 PolarHBondContact O-N 3.33Å; K864-L866 VanDerWaalsContact C-N 3.35Å; K864-L866 PolarHBondContact O-N 3.14Å; K864-V867 PolarHBondContact O-N 2.86Å; K864-Y868 WeakPolarHBondContact O-CD2 3.47Å; K864-Y868 PolarHBondContact O-N 3.29Å; K864-Y868 VanDerWaalsContact O-N 3.08Å
865T52Low53.9Low93 Ų93100.7 Ų100.757%0.57154%0.541SS*.Hα-helixtrans-62.4-42.5175.2-54.90000111.1G862 G863 Y868 S869G862-T865 PolarHBondContact O-N 3.43Å; G862-T865 VanDerWaalsContact O-N 3.11Å; G863-T865 PolarHBondContact O-N 2.83Å; T865-Y868 PolarHBondContact O-N 2.87Å; T865-S869 WeakPolarHBondContact O-CB 3.28Å; T865-S869 PolarHBondContact O-N 3.12Å; T865-S869 PolarHBondContact O-OG 2.93Å
866L58.2Low56.2Low102 Ų10297.7 Ų97.753%0.53453%0.526SS..Hα-helixtrans-71.4-29.6177.9-70.8170.2000113.5G862 G863 K864 S869 A870G862-L866 WeakPolarHBondContact O-CB 3.48Å; G862-L866 WeakPolarHBondContact O-CG 3.43Å; G862-L866 PolarHBondContact O-N 3.38Å; G863-L866 CarbonylContact O-C 3.54Å; G863-L866 PolarHBondContact O-N 3.44Å; K864-L866 VanDerWaalsContact C-N 3.35Å; K864-L866 PolarHBondContact O-N 3.14Å; L866-S869 PolarHBondContact O-N 3.02Å; L866-A870 WeakPolarHBondContact O-CB 3.49Å; L866-A870 PolarHBondContact O-N 3.08Å
867V60.7Low58.7Low102 Ų10294.4 Ų94.462%0.61851%0.508SS*.Hα-helixtrans-72.2-33.6174.3164.40000110.9G863 K864 P871G863-V867 VanDerWaalsContact O-CB 3.31Å; G863-V867 WeakPolarHBondContact O-CB 3.33Å; G863-V867 VanDerWaalsContact O-CG2 3.24Å; G863-V867 WeakPolarHBondContact O-CG2 3.44Å; G863-V867 PolarHBondContact O-N 2.87Å; K864-V867 PolarHBondContact O-N 2.86Å; V867-P871 WeakPolarHBondContact O-CD 3.39Å; V867-P871 WeakPolarHBondContact O-CG 3.41Å
868Y61.6Low61.2Low164 Ų16487 Ų8764%0.64348%0.481SS*.Hα-helixtrans-75.6-40.5166.3-69.1-59.4000112.1K864 T865 L872K864-Y868 WeakPolarHBondContact O-CD2 3.47Å; K864-Y868 PolarHBondContact O-N 3.29Å; K864-Y868 VanDerWaalsContact O-N 3.08Å; T865-Y868 PolarHBondContact O-N 2.87Å; Y868-L872 WeakPolarHBondContact O-CD1 3.46Å; Y868-L872 VanDerWaalsContact O-CG 3.26Å; Y868-L872 WeakPolarHBondContact O-CG 3.34Å; Y868-L872 PolarHBondContact O-N 3.42Å
869S70Confident63.4Low36 Ų3678.7 Ų78.725%0.25245%0.446SS..Hα-helixtrans-75.6-31.3-175.5-66.60000114.2T865 L866 L872 I873T865-S869 WeakPolarHBondContact O-CB 3.28Å; T865-S869 PolarHBondContact O-N 3.12Å; T865-S869 PolarHBondContact O-OG 2.93Å; L866-S869 PolarHBondContact O-N 3.02Å; S869-L872 CarbonylContact O-C 3.6Å; S869-L872 PolarHBondContact O-N 3.26Å; S869-I873 VanDerWaalsContact O-CB 3.27Å; S869-I873 WeakPolarHBondContact O-CB 3.19Å; S869-I873 WeakPolarHBondContact O-CD1 3.42Å; S869-I873 WeakPolarHBondContact O-CG1 3.25Å; S869-I873 PolarHBondContact O-N 3.06Å
870A77.1Confident65.6Low48 Ų4879.1 Ų79.140%0.39745%0.446SS..Hα-helixtrans-66.3-46.7-178.400000112.2L866 L872 I873 L874L866-A870 WeakPolarHBondContact O-CB 3.49Å; L866-A870 PolarHBondContact O-N 3.08Å; A870-L872 VanDerWaalsContact C-N 3.32Å; A870-L872 PolarHBondContact O-N 3.41Å; A870-I873 PolarHBondContact O-N 3.41Å; A870-L874 WeakPolarHBondContact O-CB 3.49Å; A870-L874 VanDerWaalsContact O-CG 3.26Å; A870-L874 WeakPolarHBondContact O-CG 3.33Å; A870-L874 PolarHBondContact O-N 3.39Å
871P77.7Confident67.2Low56 Ų5680.9 Ų80.936%0.36445%0.452SS..Hα-helixtrans-56.4-43.9167.5-25.235000112.4V867 T875 M896V867-P871 WeakPolarHBondContact O-CD 3.39Å; V867-P871 WeakPolarHBondContact O-CG 3.41Å; P871-T875 WeakPolarHBondContact O-CB 3.27Å; P871-T875 PolarHBondContact O-N 3.34Å; P871-T875 PolarHBondContact O-OG1 3.18Å; P871-M896 HydrophobicContact CB-SD 4.18Å
872L79Confident68.8Low118 Ų11877 Ų7762%0.61844%0.438SS*.Hα-helixtrans-65.2-39.3178.9-70.5170.7000113Y868 S869 A870 A876Y868-L872 WeakPolarHBondContact O-CD1 3.46Å; Y868-L872 VanDerWaalsContact O-CG 3.26Å; Y868-L872 WeakPolarHBondContact O-CG 3.34Å; Y868-L872 PolarHBondContact O-N 3.42Å; S869-L872 CarbonylContact O-C 3.6Å; S869-L872 PolarHBondContact O-N 3.26Å; A870-L872 VanDerWaalsContact C-N 3.32Å; A870-L872 PolarHBondContact O-N 3.41Å; L872-A876 WeakPolarHBondContact O-CB 3.07Å; L872-A876 PolarHBondContact O-N 3.44Å
873I81.6Confident70.5Confident94 Ų9481.8 Ų81.848%0.48245%0.451SS..Hα-helixtrans-70.7-48179.3-72.6162.6000110S869 A870 T875 A876 L877S869-I873 VanDerWaalsContact O-CB 3.27Å; S869-I873 WeakPolarHBondContact O-CB 3.19Å; S869-I873 WeakPolarHBondContact O-CD1 3.42Å; S869-I873 WeakPolarHBondContact O-CG1 3.25Å; S869-I873 PolarHBondContact O-N 3.06Å; A870-I873 PolarHBondContact O-N 3.41Å; I873-T875 VanDerWaalsContact C-N 3.3Å; I873-T875 PolarHBondContact O-N 3.22Å; I873-A876 PolarHBondContact O-N 3.04Å; I873-L877 HydrophobicContact CG2-CD1 3.98Å; I873-L877 HydrophobicContact CG2-CG 4.5Å; I873-L877 WeakPolarHBondContact O-CB 3.25Å; I873-L877 VanDerWaalsContact O-CG 3.26Å; I873-L877 WeakPolarHBondContact O-CG 3.32Å; I873-L877 PolarHBondContact O-N 3.11Å
874L83.7Confident72Confident124 Ų12491 Ų9165%0.64948%0.48SS*.Hα-helixtrans-61.7-41.5176.4-68.1170.4000111.1A870 L877 G878A870-L874 WeakPolarHBondContact O-CB 3.49Å; A870-L874 VanDerWaalsContact O-CG 3.26Å; A870-L874 WeakPolarHBondContact O-CG 3.33Å; A870-L874 PolarHBondContact O-N 3.39Å; L874-L877 PolarHBondContact O-N 2.72Å; L874-G878 PolarHBondContact O-N 2.98Å
875T82.7Confident73.3Confident39 Ų3987.8 Ų87.824%0.23948%0.476CS..Hα-helixtrans-65.8-43.6175.2-60.80000111.8P871 I873 G878 G879 L892P871-T875 WeakPolarHBondContact O-CB 3.27Å; P871-T875 PolarHBondContact O-N 3.34Å; P871-T875 PolarHBondContact O-OG1 3.18Å; I873-T875 VanDerWaalsContact C-N 3.3Å; I873-T875 PolarHBondContact O-N 3.22Å; T875-G878 PolarHBondContact O-N 3.24Å; T875-G879 PolarHBondContact O-N 2.9Å; T875-L892 HydrophobicContact CG2-CB 3.77Å; T875-L892 HydrophobicContact CG2-CD1 3.89Å; T875-L892 HydrophobicContact CG2-CD2 4.32Å; T875-L892 HydrophobicContact CG2-CG 4.2Å
876A80.4Confident74Confident57 Ų5786.4 Ų86.447%0.47148%0.48SS..Hα-helixtrans-65.4-37.8176.700000112.1L872 I873 G879 V880L872-A876 WeakPolarHBondContact O-CB 3.07Å; L872-A876 PolarHBondContact O-N 3.44Å; I873-A876 PolarHBondContact O-N 3.04Å; A876-G879 CarbonylContact O-C 3.48Å; A876-G879 WeakPolarHBondContact O-CA 3.34Å; A876-G879 PolarHBondContact O-N 3.39Å; A876-V880 WeakPolarHBondContact O-CG2 3.45Å; A876-V880 PolarHBondContact O-N 2.89Å
877L81.7Confident74.6Confident92 Ų9284.1 Ų84.148%0.48247%0.468SS..Hα-helixtrans-62.9-44.4173-72.8167.6000111.3I873 L874 G879 V880 F881I873-L877 HydrophobicContact CG2-CD1 3.98Å; I873-L877 HydrophobicContact CG2-CG 4.5Å; I873-L877 WeakPolarHBondContact O-CB 3.25Å; I873-L877 VanDerWaalsContact O-CG 3.26Å; I873-L877 WeakPolarHBondContact O-CG 3.32Å; I873-L877 PolarHBondContact O-N 3.11Å; L874-L877 PolarHBondContact O-N 2.72Å; L877-G879 VanDerWaalsContact C-N 3.29Å; L877-G879 PolarHBondContact O-N 3.09Å; L877-V880 PolarHBondContact O-N 3.04Å; L877-F881 VanDerWaalsContact O-CD2 3.22Å; L877-F881 WeakPolarHBondContact O-CD2 3.35Å; L877-F881 PolarHBondContact O-N 2.85Å
878G78.2Confident75.1Confident27 Ų2783.7 Ų83.728%0.27847%0.466SS..Hα-helixtrans-61.3-36.2171.400000113.4L874 T875 S882L874-G878 PolarHBondContact O-N 2.98Å; T875-G878 PolarHBondContact O-N 3.24Å; G878-S882 PolarHBondContact O-N 3.4Å; G878-S882 PolarHBondContact O-OG 3.21Å
879G77.5Confident75.9Confident15 Ų1577 Ų7716%0.15544%0.441CS..Hα-helixtrans-60.1-49.4169.100000112.3T875 A876 L877 F881 S882 E883T875-G879 PolarHBondContact O-N 2.9Å; A876-G879 CarbonylContact O-C 3.48Å; A876-G879 WeakPolarHBondContact O-CA 3.34Å; A876-G879 PolarHBondContact O-N 3.39Å; L877-G879 VanDerWaalsContact C-N 3.29Å; L877-G879 PolarHBondContact O-N 3.09Å; G879-F881 PolarHBondContact O-N 3.49Å; G879-S882 CarbonylContact O-C 3.53Å; G879-S882 WeakPolarHBondContact O-CA 3.42Å; G879-S882 VanDerWaalsContact O-CB 3.31Å; G879-S882 WeakPolarHBondContact O-CB 3.4Å; G879-S882 PolarHBondContact O-N 3.36Å; G879-E883 WeakPolarHBondContact O-CB 3.48Å; G879-E883 PolarHBondContact O-N 2.83Å
880V77.6Confident76.2Confident66 Ų6677.7 Ų77.740%0.444%0.444SS..Hα-helixtrans-62.7-39.7178.7168.70000111.8A876 L877 S882 E883 R884A876-V880 WeakPolarHBondContact O-CG2 3.45Å; A876-V880 PolarHBondContact O-N 2.89Å; L877-V880 PolarHBondContact O-N 3.04Å; V880-S882 VanDerWaalsContact C-N 3.27Å; V880-S882 PolarHBondContact O-N 2.86Å; V880-E883 PolarHBondContact O-N 2.81Å; V880-R884 HydrophobicContact CG1-CG 4.01Å; V880-R884 VanDerWaalsContact O-CB 3.26Å; V880-R884 WeakPolarHBondContact O-CB 3.41Å; V880-R884 WeakPolarHBondContact O-CG 3.17Å; V880-R884 PolarHBondContact O-N 2.84Å
881F76.4Confident76.3Confident162 Ų16275.4 Ų75.471%0.71143%0.425SS*.Hα-helixtrans-59.3-39.9171.8-82.9-69.8000112L877 G879 S885L877-F881 VanDerWaalsContact O-CD2 3.22Å; L877-F881 WeakPolarHBondContact O-CD2 3.35Å; L877-F881 PolarHBondContact O-N 2.85Å; G879-F881 PolarHBondContact O-N 3.49Å; F881-S885 PolarHBondContact O-N 2.97Å
882S73.4Confident76.7Confident22 Ų2274.4 Ų74.415%0.15442%0.416CS..Hα-helixtrans-68.1-49.2176.5-50.50000111G878 G879 V880 R884 S885 G886 I887G878-S882 PolarHBondContact O-N 3.4Å; G878-S882 PolarHBondContact O-OG 3.21Å; G879-S882 CarbonylContact O-C 3.53Å; G879-S882 WeakPolarHBondContact O-CA 3.42Å; G879-S882 VanDerWaalsContact O-CB 3.31Å; G879-S882 WeakPolarHBondContact O-CB 3.4Å; G879-S882 PolarHBondContact O-N 3.36Å; V880-S882 VanDerWaalsContact C-N 3.27Å; V880-S882 PolarHBondContact O-N 2.86Å; S882-R884 PolarHBondContact O-N 3.16Å; S882-S885 CarbonylContact O-C 3.58Å; S882-S885 WeakPolarHBondContact O-CA 3.24Å; S882-S885 WeakPolarHBondContact O-CB 3.39Å; S882-S885 PolarHBondContact O-N 3.49Å; S882-S885 PolarHBondContact O-OG 3.42Å; S882-G886 PolarHBondContact O-N 3.13Å; S882-I887 CarbonylContact C-O 3.53Å; S882-I887 WeakPolarHBondContact CB-O 3.3Å; S882-I887 PolarHBondContact O-N 3.37Å; S882-I887 VanDerWaalsContact O-O 3.11Å
883E72Confident76.8Confident133 Ų13374.9 Ų74.962%0.62142%0.415SS*.Hα-helixtrans-64-40.2-177.3-172.7-177.9-168.900111.9G879 V880 S885 G886 I887G879-E883 WeakPolarHBondContact O-CB 3.48Å; G879-E883 PolarHBondContact O-N 2.83Å; V880-E883 PolarHBondContact O-N 2.81Å; E883-S885 PolarHBondContact O-N 2.94Å; E883-G886 WeakPolarHBondContact O-CA 3.32Å; E883-G886 PolarHBondContact O-N 3.47Å; E883-I887 WeakPolarHBondContact CA-O 3.37Å; E883-I887 PolarHBondContact N-O 3.03Å
884R70.6Confident76.7Confident213 Ų21370.4 Ų70.480%0.80439%0.392SS*.Hα-helixtrans-64.9-18.4173.4-68.8-70.8-178.4172.7-0.1113.4V880 S882V880-R884 HydrophobicContact CG1-CG 4.01Å; V880-R884 VanDerWaalsContact O-CB 3.26Å; V880-R884 WeakPolarHBondContact O-CB 3.41Å; V880-R884 WeakPolarHBondContact O-CG 3.17Å; V880-R884 PolarHBondContact O-N 2.84Å; S882-R884 PolarHBondContact O-N 3.16Å
885S67.4Low76.8Confident80 Ų8065.2 Ų65.256%0.55937%0.365SS*.THydrogen-bonded Turntrans-920.3169.478.50000113.9F881 S882 E883F881-S885 PolarHBondContact O-N 2.97Å; S882-S885 CarbonylContact O-C 3.58Å; S882-S885 WeakPolarHBondContact O-CA 3.24Å; S882-S885 WeakPolarHBondContact O-CB 3.39Å; S882-S885 PolarHBondContact O-N 3.49Å; S882-S885 PolarHBondContact O-OG 3.42Å; E883-S885 PolarHBondContact O-N 2.94Å
886G67.4Low77Confident64 Ų6467.7 Ų67.766%0.6638%0.375SS*.THydrogen-bonded Turntrans84.922.4-177.800000114.8S882 E883S882-G886 PolarHBondContact O-N 3.13Å; E883-G886 WeakPolarHBondContact O-CA 3.32Å; E883-G886 PolarHBondContact O-N 3.47Å
887I70Confident77.1Confident55 Ų5566.4 Ų66.428%0.28236%0.361SS..  trans-125.9125.5-173.7-54179.5000110.6S882 E883 N889 H948S882-I887 CarbonylContact C-O 3.53Å; S882-I887 WeakPolarHBondContact CB-O 3.3Å; S882-I887 PolarHBondContact O-N 3.37Å; S882-I887 VanDerWaalsContact O-O 3.11Å; E883-I887 WeakPolarHBondContact CA-O 3.37Å; E883-I887 PolarHBondContact N-O 3.03Å; I887-N889 PolarHBondContact O-N 2.74Å; I887-H948 HydrophobicContact CG2-CB 3.95Å
888V70.5Confident77.1Confident92 Ų9262.2 Ų62.256%0.55834%0.34SS*.  trans-90.1101.5174.5-178.20000109.3V890 H948V888-V890 HydrophobicContact CG1-CG2 4.22Å; V888-V890 PolarHBondContact O-N 2.67Å; V888-V890 VanDerWaalsContact O-N 3.08Å; V888-H948 PolarHBondContact O-CD2 3.36Å
889N78.4Confident77.5Confident23 Ų2361.4 Ų61.412%0.12333%0.331CS..  trans-78.596-178.8-170.7-3.8000111.8I887 G891 L892 H937I887-N889 PolarHBondContact O-N 2.74Å; N889-G891 VanDerWaalsContact C-N 3.31Å; N889-G891 WeakPolarHBondContact OD1-CA 3.31Å; N889-G891 PolarHBondContact OD1-N 2.84Å; N889-L892 HydrophobicContact CB-CD1 4.36Å; N889-L892 HydrophobicContact CB-CD2 4.48Å; N889-L892 HydrophobicContact CB-CG 4.1Å; N889-L892 WeakPolarHBondContact O-CD1 3.48Å; N889-L892 WeakPolarHBondContact O-CG 3.22Å; N889-H937 PolarHBondContact OD1-CE1 3.42Å; N889-H937 PolarHBondContact OD1-ND1 2.9Å
890V77.2Confident77.9Confident51 Ų5162.9 Ų62.931%0.30934%0.343SS..THydrogen-bonded Turntrans-78.3-15.8174.6-177.60000112.2V888 L892 I949 N956V888-V890 HydrophobicContact CG1-CG2 4.22Å; V888-V890 PolarHBondContact O-N 2.67Å; V888-V890 VanDerWaalsContact O-N 3.08Å; V890-L892 PolarHBondContact O-N 3.28Å; V890-I949 HydrophobicContact CG2-CB 4.38Å; V890-I949 HydrophobicContact CG2-CG1 4.16Å; V890-I949 HydrophobicContact CG2-CG2 4.16Å; V890-N956 PolarHBondContact O-ND2 3.04Å; V890-N956 PolarHBondContact O-OD1 3.04Å
891G79.9Confident78.1Confident0 Ų061.2 Ų61.20%033%0.33CS..THydrogen-bonded Turntrans-78.33.8-177.100000115.8N889 E893 G894 I895 G952 N956N889-G891 VanDerWaalsContact C-N 3.31Å; N889-G891 WeakPolarHBondContact OD1-CA 3.31Å; N889-G891 PolarHBondContact OD1-N 2.84Å; G891-E893 VanDerWaalsContact C-N 3.33Å; G891-E893 PolarHBondContact O-N 3.44Å; G891-G894 PolarHBondContact O-N 3.07Å; G891-I895 WeakPolarHBondContact O-CD1 3.31Å; G891-I895 VanDerWaalsContact O-CG1 3.27Å; G891-I895 WeakPolarHBondContact O-CG1 3.32Å; G891-I895 PolarHBondContact O-N 3.46Å; G891-G952 WeakPolarHBondContact CA-O 3.47Å; G891-G952 VanDerWaalsContact N-CA 3.33Å; G891-N956 VanDerWaalsContact CA-OD1 3.22Å; G891-N956 WeakPolarHBondContact CA-OD1 3.41Å; G891-N956 PolarHBondContact O-OD1 3.17Å
892L85Confident78.4Confident36 Ų3654.8 Ų54.819%0.18831%0.305CS..Hα-helixtrans-61.8-36-171.2-75.1171.5000113.4T875 N889 V890 I895 M896T875-L892 HydrophobicContact CG2-CB 3.77Å; T875-L892 HydrophobicContact CG2-CD1 3.89Å; T875-L892 HydrophobicContact CG2-CD2 4.32Å; T875-L892 HydrophobicContact CG2-CG 4.2Å; N889-L892 HydrophobicContact CB-CD1 4.36Å; N889-L892 HydrophobicContact CB-CD2 4.48Å; N889-L892 HydrophobicContact CB-CG 4.1Å; N889-L892 WeakPolarHBondContact O-CD1 3.48Å; N889-L892 WeakPolarHBondContact O-CG 3.22Å; V890-L892 PolarHBondContact O-N 3.28Å; L892-I895 PolarHBondContact O-N 3.42Å; L892-M896 VanDerWaalsContact O-CB 3.32Å; L892-M896 WeakPolarHBondContact O-CB 3.11Å; L892-M896 PolarHBondContact O-N 2.79Å
893E80.8Confident78.9Confident127 Ų12754.9 Ų54.959%0.59331%0.306SS*.Hα-helixtrans-65.2-44.3177.6-53.4172.5143.700110.9G891 M896 V897 N956G891-E893 VanDerWaalsContact C-N 3.33Å; G891-E893 PolarHBondContact O-N 3.44Å; E893-M896 PolarHBondContact O-N 2.91Å; E893-V897 WeakPolarHBondContact O-CG2 3.42Å; E893-V897 PolarHBondContact O-N 3.29Å; E893-N956 HydrophobicContact CB-CB 4.39Å; E893-N956 PolarHBondContact OE2-ND2 2.93Å
894G79.6Confident79.4Confident0 Ų050.9 Ų50.90%029%0.29CS..Hα-helixtrans-66.5-36.917700000113G891 A898 N956 A959G891-G894 PolarHBondContact O-N 3.07Å; G894-A898 WeakPolarHBondContact O-CB 3.09Å; G894-A898 PolarHBondContact O-N 3.37Å; G894-N956 PolarHBondContact N-OD1 2.77Å; G894-A959 WeakPolarHBondContact O-CB 3.48Å
895I86.6Confident79.7Confident16 Ų1642 Ų428%0.08226%0.26CS..Hα-helixtrans-64.4-42.9173.3-66.8161.9000110.5G891 L892 A898 G899 F933 M955G891-I895 WeakPolarHBondContact O-CD1 3.31Å; G891-I895 VanDerWaalsContact O-CG1 3.27Å; G891-I895 WeakPolarHBondContact O-CG1 3.32Å; G891-I895 PolarHBondContact O-N 3.46Å; L892-I895 PolarHBondContact O-N 3.42Å; I895-A898 PolarHBondContact O-N 2.87Å; I895-G899 PolarHBondContact O-N 3.35Å; I895-F933 HydrophobicContact CG1-CB 4.14Å; I895-M955 HydrophobicContact CD1-CE 4.04Å; I895-M955 HydrophobicContact CG1-CE 3.6Å
896M86.6Confident80.4Confident90 Ų9039.7 Ų39.744%0.44324%0.239SC..Hα-helixtrans-63.8-45176.9-176.4179.570.400111.8P871 L892 E893 G899 A900P871-M896 HydrophobicContact CB-SD 4.18Å; L892-M896 VanDerWaalsContact O-CB 3.32Å; L892-M896 WeakPolarHBondContact O-CB 3.11Å; L892-M896 PolarHBondContact O-N 2.79Å; E893-M896 PolarHBondContact O-N 2.91Å; M896-G899 PolarHBondContact O-N 2.86Å; M896-A900 WeakPolarHBondContact O-CB 3.26Å; M896-A900 PolarHBondContact O-N 3.3Å
897V83.2Confident80.9Confident30 Ų3038.5 Ų38.518%0.18222%0.218CC..Hα-helixtrans-62.4-42.7176.5169.10000111.5E893 A900 F901 A959 P960 A963E893-V897 WeakPolarHBondContact O-CG2 3.42Å; E893-V897 PolarHBondContact O-N 3.29Å; V897-A900 PolarHBondContact O-N 3.17Å; V897-F901 WeakPolarHBondContact O-CB 3.31Å; V897-F901 PolarHBondContact O-N 2.7Å; V897-A959 HydrophobicContact CB-CB 4.15Å; V897-A959 HydrophobicContact CG1-CB 4.07Å; V897-P960 HydrophobicContact CG1-CB 4.44Å; V897-P960 HydrophobicContact CG1-CG 4.31Å; V897-P960 HydrophobicContact CG2-CG 4.5Å; V897-A963 HydrophobicContact CG1-CB 4.18Å
898A81.5Confident81.1Confident4 Ų440.3 Ų40.33%0.03323%0.228CC..Hα-helixtrans-62.9-41.6175.800000112.5G894 I895 S902 F933G894-A898 WeakPolarHBondContact O-CB 3.09Å; G894-A898 PolarHBondContact O-N 3.37Å; I895-A898 PolarHBondContact O-N 2.87Å; A898-S902 WeakPolarHBondContact O-CB 3.32Å; A898-S902 PolarHBondContact O-N 3.38Å; A898-S902 PolarHBondContact O-OG 2.9Å; A898-S902 VanDerWaalsContact O-OG 3.12Å; A898-F933 HydrophobicContact CB-CD1 3.86Å; A898-F933 HydrophobicContact CB-CD2 3.63Å; A898-F933 HydrophobicContact CB-CE1 3.84Å; A898-F933 HydrophobicContact CB-CE2 3.6Å; A898-F933 HydrophobicContact CB-CG 3.76Å; A898-F933 HydrophobicContact CB-CZ 3.71Å
899G86.2Confident81.4Confident10 Ų1038.7 Ų38.710%0.10322%0.224CC..Hα-helixtrans-65-45.5175.300000113.1I895 M896 S902 S903 G926I895-G899 PolarHBondContact O-N 3.35Å; M896-G899 PolarHBondContact O-N 2.86Å; G899-S902 PolarHBondContact O-N 3.41Å; G899-S903 WeakPolarHBondContact O-CB 3.36Å; G899-S903 PolarHBondContact O-N 2.95Å; G899-G926 WeakPolarHBondContact CA-O 3.34Å; G899-G926 WeakPolarHBondContact O-CA 3.38Å
900A84.6Confident81.6Confident47 Ų4741.2 Ų41.239%0.38823%0.234SC..Hα-helixtrans-60.6-49.7176.900000111.6M896 V897 S902 S903 V904M896-A900 WeakPolarHBondContact O-CB 3.26Å; M896-A900 PolarHBondContact O-N 3.3Å; V897-A900 PolarHBondContact O-N 3.17Å; A900-S902 PolarHBondContact O-N 3.46Å; A900-S903 PolarHBondContact O-N 2.99Å; A900-V904 WeakPolarHBondContact O-CG2 3.28Å; A900-V904 PolarHBondContact O-N 3.44Å
901F82.9Confident81.6Confident31 Ų3140.9 Ų40.914%0.13624%0.237CC..Hα-helixtrans-54.7-49.4174.8160.5-98000112V897 S903 V904 V905 A963 L966 I967 I970V897-F901 WeakPolarHBondContact O-CB 3.31Å; V897-F901 PolarHBondContact O-N 2.7Å; F901-S903 VanDerWaalsContact C-N 3.34Å; F901-S903 PolarHBondContact O-N 2.94Å; F901-V904 PolarHBondContact O-N 3.36Å; F901-V905 HydrophobicContact CD2-CG2 3.91Å; F901-V905 HydrophobicContact CE1-CG2 4.34Å; F901-V905 HydrophobicContact CE2-CG2 3.32Å; F901-V905 HydrophobicContact CZ-CG2 3.54Å; F901-V905 WeakPolarHBondContact O-CG2 3.41Å; F901-V905 PolarHBondContact O-N 3.24Å; F901-A963 HydrophobicContact CB-CB 3.86Å; F901-A963 HydrophobicContact CD2-CB 4.03Å; F901-A963 HydrophobicContact CG-CB 3.94Å; F901-L966 HydrophobicContact CD1-CD1 4.39Å; F901-L966 HydrophobicContact CE1-CB 4.17Å; F901-L966 HydrophobicContact CE1-CD1 3.54Å; F901-L966 HydrophobicContact CE1-CG 4.48Å; F901-L966 HydrophobicContact CE2-CB 3.55Å; F901-L966 HydrophobicContact CE2-CD1 4.43Å; F901-L966 HydrophobicContact CZ-CB 3.31Å; F901-L966 HydrophobicContact CZ-CD1 3.58Å; F901-L966 HydrophobicContact CZ-CG 4.04Å; F901-I967 HydrophobicContact CD2-CD1 4.26Å; F901-I967 HydrophobicContact CD2-CG1 3.9Å; F901-I967 HydrophobicContact CE2-CG1 3.89Å; F901-I970 HydrophobicContact CZ-CD1 4.28Å
902S83.1Confident81.3Confident26 Ų2649.2 Ų49.218%0.18228%0.281CS..Hα-helixtrans-67.7-32.4-178.9-64.90000113.3A898 G899 A900 F906 A929A898-S902 WeakPolarHBondContact O-CB 3.32Å; A898-S902 PolarHBondContact O-N 3.38Å; A898-S902 PolarHBondContact O-OG 2.9Å; A898-S902 VanDerWaalsContact O-OG 3.12Å; G899-S902 PolarHBondContact O-N 3.41Å; A900-S902 PolarHBondContact O-N 3.46Å; S902-F906 WeakPolarHBondContact O-CB 3.44Å; S902-F906 PolarHBondContact O-N 3.12Å; S902-A929 VanDerWaalsContact CB-CB 3.43Å; S902-A929 VanDerWaalsContact OG-CB 3.25Å; S902-A929 WeakPolarHBondContact OG-CB 3.41Å
903S84.3Confident81Confident24 Ų2453.8 Ų53.817%0.16830%0.302CS..Hα-helixtrans-66.7-44.9172.4-177.90000111.9G899 A900 F901 F906 N907 G922G899-S903 WeakPolarHBondContact O-CB 3.36Å; G899-S903 PolarHBondContact O-N 2.95Å; A900-S903 PolarHBondContact O-N 2.99Å; F901-S903 VanDerWaalsContact C-N 3.34Å; F901-S903 PolarHBondContact O-N 2.94Å; S903-F906 PolarHBondContact O-N 3.06Å; S903-N907 PolarHBondContact O-N 2.95Å; S903-N907 PolarHBondContact O-ND2 3.41Å; S903-G922 WeakPolarHBondContact CA-O 3.31Å; S903-G922 VanDerWaalsContact CB-O 3.29Å; S903-G922 WeakPolarHBondContact CB-O 3.48Å; S903-G922 VanDerWaalsContact OG-C 3.25Å; S903-G922 PolarHBondContact OG-O 2.82Å
904V80.7Confident81Confident49 Ų4951 Ų5130%0.29729%0.288SS..Hα-helixtrans-63.5-47.9177.6170.30000111A900 F901 F906 N907 L908A900-V904 WeakPolarHBondContact O-CG2 3.28Å; A900-V904 PolarHBondContact O-N 3.44Å; F901-V904 PolarHBondContact O-N 3.36Å; V904-F906 VanDerWaalsContact C-N 3.34Å; V904-F906 PolarHBondContact O-N 3.03Å; V904-N907 PolarHBondContact O-N 3.31Å; V904-L908 HydrophobicContact CG1-CD1 3.8Å; V904-L908 HydrophobicContact CG1-CG 4.39Å; V904-L908 WeakPolarHBondContact O-CG 3.44Å; V904-L908 PolarHBondContact O-N 3.24Å
905V78.1Confident81Confident27 Ų2753.1 Ų53.116%0.16431%0.31CS..Hα-helixtrans-60.3-42.7177.11710000111.7F901 A909 I970 Y971F901-V905 HydrophobicContact CD2-CG2 3.91Å; F901-V905 HydrophobicContact CE1-CG2 4.34Å; F901-V905 HydrophobicContact CE2-CG2 3.32Å; F901-V905 HydrophobicContact CZ-CG2 3.54Å; F901-V905 WeakPolarHBondContact O-CG2 3.41Å; F901-V905 PolarHBondContact O-N 3.24Å; V905-A909 WeakPolarHBondContact O-CB 3.22Å; V905-A909 PolarHBondContact O-N 3.49Å; V905-I970 HydrophobicContact CG1-CD1 4.01Å; V905-I970 HydrophobicContact CG2-CD1 4.14Å; V905-Y971 HydrophobicContact CG2-CE2 4.2Å; V905-Y971 PolarHBondContact O-OH 3.35Å
906F81.3Confident80.6Confident31 Ų3156.9 Ų56.914%0.13634%0.343CS..Hα-helixtrans-63.2-44.4176.6-175.9-85.2000111.9S902 S903 V904 A909 F910 F914 T918 L921 V925S902-F906 WeakPolarHBondContact O-CB 3.44Å; S902-F906 PolarHBondContact O-N 3.12Å; S903-F906 PolarHBondContact O-N 3.06Å; V904-F906 VanDerWaalsContact C-N 3.34Å; V904-F906 PolarHBondContact O-N 3.03Å; F906-A909 PolarHBondContact O-N 2.94Å; F906-F910 HydrophobicContact CD1-CD2 4.4Å; F906-F910 AromaticContact CD2-CD2 3.41Å; F906-F910 HydrophobicContact CD2-CD2 3.41Å; F906-F910 VanDerWaalsContact CD2-CD2 3.41Å; F906-F910 AromaticContact CD2-CE2 3.73Å; F906-F910 HydrophobicContact CD2-CE2 3.73Å; F906-F910 HydrophobicContact CD2-CG 4.41Å; F906-F910 HydrophobicContact CE1-CB 4.09Å; F906-F910 HydrophobicContact CE1-CD2 4.3Å; F906-F910 HydrophobicContact CE2-CB 4.42Å; F906-F910 AromaticContact CE2-CD2 3.34Å; F906-F910 HydrophobicContact CE2-CD2 3.34Å; F906-F910 AromaticContact CE2-CE2 3.72Å; F906-F910 HydrophobicContact CE2-CE2 3.72Å; F906-F910 AromaticContact CE2-CG 3.98Å; F906-F910 HydrophobicContact CE2-CG 3.98Å; F906-F910 AromaticContact CG-CD2 3.98Å; F906-F910 HydrophobicContact CG-CD2 3.98Å; F906-F910 HydrophobicContact CZ-CB 4Å; F906-F910 AromaticContact CZ-CD2 3.81Å; F906-F910 HydrophobicContact CZ-CD2 3.81Å; F906-F910 HydrophobicContact CZ-CG 4.02Å; F906-F910 WeakPolarHBondContact O-CB 3.49Å; F906-F910 WeakPolarHBondContact O-CD2 3.34Å; F906-F910 PolarHBondContact O-N 3.49Å; F906-F914 HydrophobicContact CE1-CD2 4.43Å; F906-F914 HydrophobicContact CZ-CD2 4.08Å; F906-F914 HydrophobicContact CZ-CE2 4Å; F906-T918 HydrophobicContact CD1-CG2 4.05Å; F906-T918 HydrophobicContact CE1-CG2 3.79Å; F906-L921 HydrophobicContact CD1-CB 4.18Å; F906-L921 HydrophobicContact CE1-CB 3.35Å; F906-L921 HydrophobicContact CE1-CD1 4.32Å; F906-L921 HydrophobicContact CE1-CG 4.47Å; F906-L921 HydrophobicContact CZ-CB 3.78Å; F906-L921 HydrophobicContact CZ-CD1 4.31Å; F906-V925 HydrophobicContact CB-CB 4.18Å; F906-V925 HydrophobicContact CB-CG1 4Å; F906-V925 HydrophobicContact CD2-CB 4.27Å; F906-V925 HydrophobicContact CD2-CG1 4.32Å; F906-V925 HydrophobicContact CD2-CG2 3.67Å; F906-V925 HydrophobicContact CE2-CG2 4.08Å; F906-V925 HydrophobicContact CG-CB 4.19Å; F906-V925 HydrophobicContact CG-CG1 4.37Å; F906-V925 HydrophobicContact CG-CG2 4.01Å
907N77.6Confident80.3Confident40 Ų4058.1 Ų58.121%0.21435%0.349CS..Hα-helixtrans-59.8-50.5177.5-84.4-80.3000111.6S903 V904 A909 F910 A911 T918 P919S903-N907 PolarHBondContact O-N 2.95Å; S903-N907 PolarHBondContact O-ND2 3.41Å; V904-N907 PolarHBondContact O-N 3.31Å; N907-A909 VanDerWaalsContact C-N 3.33Å; N907-A909 PolarHBondContact O-N 3.46Å; N907-F910 PolarHBondContact O-N 3.3Å; N907-A911 WeakPolarHBondContact O-CB 3.42Å; N907-A911 PolarHBondContact O-N 2.88Å; N907-T918 PolarHBondContact OD1-O 3.23Å; N907-P919 VanDerWaalsContact OD1-CA 3.25Å; N907-P919 WeakPolarHBondContact OD1-CA 3.42Å; N907-P919 VanDerWaalsContact OD1-N 3.16Å
908L75.8Confident80.2Confident92 Ų9256.8 Ų56.848%0.48234%0.341SS..Hα-helixtrans-63.9-34.9179.1-69.3172.1000113.2V904 Y971 I979V904-L908 HydrophobicContact CG1-CD1 3.8Å; V904-L908 HydrophobicContact CG1-CG 4.39Å; V904-L908 WeakPolarHBondContact O-CG 3.44Å; V904-L908 PolarHBondContact O-N 3.24Å; L908-Y971 HydrophobicContact CB-CE1 3.97Å; L908-Y971 WeakPolarHBondContact CB-OH 3.36Å; L908-Y971 HydrophobicContact CD1-CE1 4.08Å; L908-Y971 HydrophobicContact CD1-CE2 4.16Å; L908-I979 HydrophobicContact CD1-CD1 4.05Å
909A76.5Confident80.1Confident58 Ų5859.8 Ų59.848%0.47936%0.36SS..Hα-helixtrans-82.6-17.8-177.600000114.5V905 F906 N907V905-A909 WeakPolarHBondContact O-CB 3.22Å; V905-A909 PolarHBondContact O-N 3.49Å; F906-A909 PolarHBondContact O-N 2.94Å; N907-A909 VanDerWaalsContact C-N 3.33Å; N907-A909 PolarHBondContact O-N 3.46Å
910F81.5Confident80.1Confident76 Ų7668.6 Ų68.633%0.33339%0.39SS..Hα-helixtrans-133.68.2-172-62.3-76.6000115.2F906 N907 D912 Q913 F914 T918F906-F910 HydrophobicContact CD1-CD2 4.4Å; F906-F910 AromaticContact CD2-CD2 3.41Å; F906-F910 HydrophobicContact CD2-CD2 3.41Å; F906-F910 VanDerWaalsContact CD2-CD2 3.41Å; F906-F910 AromaticContact CD2-CE2 3.73Å; F906-F910 HydrophobicContact CD2-CE2 3.73Å; F906-F910 HydrophobicContact CD2-CG 4.41Å; F906-F910 HydrophobicContact CE1-CB 4.09Å; F906-F910 HydrophobicContact CE1-CD2 4.3Å; F906-F910 HydrophobicContact CE2-CB 4.42Å; F906-F910 AromaticContact CE2-CD2 3.34Å; F906-F910 HydrophobicContact CE2-CD2 3.34Å; F906-F910 AromaticContact CE2-CE2 3.72Å; F906-F910 HydrophobicContact CE2-CE2 3.72Å; F906-F910 AromaticContact CE2-CG 3.98Å; F906-F910 HydrophobicContact CE2-CG 3.98Å; F906-F910 AromaticContact CG-CD2 3.98Å; F906-F910 HydrophobicContact CG-CD2 3.98Å; F906-F910 HydrophobicContact CZ-CB 4Å; F906-F910 AromaticContact CZ-CD2 3.81Å; F906-F910 HydrophobicContact CZ-CD2 3.81Å; F906-F910 HydrophobicContact CZ-CG 4.02Å; F906-F910 WeakPolarHBondContact O-CB 3.49Å; F906-F910 WeakPolarHBondContact O-CD2 3.34Å; F906-F910 PolarHBondContact O-N 3.49Å; N907-F910 PolarHBondContact O-N 3.3Å; F910-D912 VanDerWaalsContact C-N 3.34Å; F910-D912 PolarHBondContact O-N 2.77Å; F910-Q913 PolarHBondContact O-N 2.87Å; F910-F914 HydrophobicContact CB-CD2 3.79Å; F910-F914 HydrophobicContact CB-CE2 3.96Å; F910-F914 HydrophobicContact CD1-CE2 4.05Å; F910-F914 HydrophobicContact CG-CD2 4.49Å; F910-F914 HydrophobicContact CG-CE2 4.18Å; F910-F914 PolarHBondContact O-N 3.26Å; F910-F914 VanDerWaalsContact O-N 3.1Å; F910-T918 HydrophobicContact CB-CG2 4.19Å
911A76.8Confident80.2Confident45 Ų4569 Ų6937%0.37239%0.385SS..Hα-helixtrans-50-51177.700000112.5N907 Q913 G915N907-A911 WeakPolarHBondContact O-CB 3.42Å; N907-A911 PolarHBondContact O-N 2.88Å; A911-Q913 PolarHBondContact O-N 3.05Å; A911-G915 VanDerWaalsContact O-CA 3.29Å; A911-G915 WeakPolarHBondContact O-CA 3.2Å; A911-G915 PolarHBondContact O-N 3.29Å
912D74.9Confident80.3Confident174 Ų17467.5 Ų67.593%0.9338%0.379SS*.Hα-helixtrans-65.7-24.5-179.9-56-33.3000113.2F910F910-D912 VanDerWaalsContact C-N 3.34Å; F910-D912 PolarHBondContact O-N 2.77Å
913Q79.4Confident80.4Confident132 Ų13270.8 Ų70.862%0.61740%0.398SS*.Hα-helixtrans-87.7-31.2-175.3-172.4170.14.600113.1F910 A911F910-Q913 PolarHBondContact O-N 2.87Å; A911-Q913 PolarHBondContact O-N 3.05Å
914F79.4Confident80.6Confident70 Ų7075 Ų7531%0.30742%0.418SS..Hα-helixtrans-123.9-6.2-176.9-55.8-65.2000114.8F906 F910 A916 M917 L921F906-F914 HydrophobicContact CE1-CD2 4.43Å; F906-F914 HydrophobicContact CZ-CD2 4.08Å; F906-F914 HydrophobicContact CZ-CE2 4Å; F910-F914 HydrophobicContact CB-CD2 3.79Å; F910-F914 HydrophobicContact CB-CE2 3.96Å; F910-F914 HydrophobicContact CD1-CE2 4.05Å; F910-F914 HydrophobicContact CG-CD2 4.49Å; F910-F914 HydrophobicContact CG-CE2 4.18Å; F910-F914 PolarHBondContact O-N 3.26Å; F910-F914 VanDerWaalsContact O-N 3.1Å; F914-A916 PolarHBondContact O-N 3.5Å; F914-M917 HydrophobicContact CB-CB 4.32Å; F914-M917 WeakPolarHBondContact O-CB 3.34Å; F914-M917 PolarHBondContact O-N 3.38Å; F914-L921 HydrophobicContact CB-CD1 3.76Å; F914-L921 HydrophobicContact CD1-CD1 4Å; F914-L921 HydrophobicContact CD2-CD1 3.68Å; F914-L921 HydrophobicContact CE2-CD1 4.28Å; F914-L921 HydrophobicContact CG-CD1 3.54Å
915G79.8Confident81Confident44 Ų4474.8 Ų74.845%0.45442%0.416SS..G310 helixtrans52.2-124.7175.500000112.6A911 M917 T918A911-G915 VanDerWaalsContact O-CA 3.29Å; A911-G915 WeakPolarHBondContact O-CA 3.2Å; A911-G915 PolarHBondContact O-N 3.29Å; G915-M917 PolarHBondContact O-N 3.45Å; G915-M917 VanDerWaalsContact O-N 3.11Å; G915-T918 PolarHBondContact N-OG1 2.89Å; G915-T918 WeakPolarHBondContact O-CB 3.47Å; G915-T918 PolarHBondContact O-N 3.43Å; G915-T918 PolarHBondContact O-OG1 3.21Å
916A77.5Confident81.4Confident94 Ų9473.9 Ų73.978%0.77741%0.413SS*.G310 helixtrans-62.4-14.5179.500000115.1F914F914-A916 PolarHBondContact O-N 3.5Å
917M82Confident81.7Confident116 Ų11674.5 Ų74.557%0.57143%0.428SS*.G310 helixtrans-83.5-17.2172.6-64-169.6-61.400113.1F914 G915 W920 L921F914-M917 HydrophobicContact CB-CB 4.32Å; F914-M917 WeakPolarHBondContact O-CB 3.34Å; F914-M917 PolarHBondContact O-N 3.38Å; G915-M917 PolarHBondContact O-N 3.45Å; G915-M917 VanDerWaalsContact O-N 3.11Å; M917-W920 PolarHBondContact O-N 2.93Å; M917-W920 VanDerWaalsContact O-N 3.16Å; M917-L921 HydrophobicContact CB-CD1 4.28Å; M917-L921 WeakPolarHBondContact O-CG 3.48Å; M917-L921 PolarHBondContact O-N 2.8Å
918T80.9Confident82.2Confident3 Ų377.7 Ų77.72%0.01844%0.444CS..Hα-helixtrans-58.7-40.5-173.7-36.50000113.4F906 N907 F910 G915 W920 L921 G922F906-T918 HydrophobicContact CD1-CG2 4.05Å; F906-T918 HydrophobicContact CE1-CG2 3.79Å; N907-T918 PolarHBondContact OD1-O 3.23Å; F910-T918 HydrophobicContact CB-CG2 4.19Å; G915-T918 PolarHBondContact N-OG1 2.89Å; G915-T918 WeakPolarHBondContact O-CB 3.47Å; G915-T918 PolarHBondContact O-N 3.43Å; G915-T918 PolarHBondContact O-OG1 3.21Å; T918-W920 PolarHBondContact O-N 3.37Å; T918-L921 PolarHBondContact O-N 2.77Å; T918-G922 PolarHBondContact O-N 2.83Å
919P78.5Confident82.6Confident67 Ų6774 Ų7444%0.43543%0.427SS..Hα-helixtrans-59.5-42.8175.5-27.537.1000113.5N907 G922 V923N907-P919 VanDerWaalsContact OD1-CA 3.25Å; N907-P919 WeakPolarHBondContact OD1-CA 3.42Å; N907-P919 VanDerWaalsContact OD1-N 3.16Å; P919-G922 PolarHBondContact O-N 2.94Å; P919-V923 WeakPolarHBondContact O-CG2 3.24Å; P919-V923 PolarHBondContact O-N 3.4Å
920W86.8Confident83Confident194 Ų19471.7 Ų71.774%0.73541%0.409SS*.Hα-helixtrans-67.7-40.7178.4-63.4103.7000112.2M917 T918 G922 V923 L924M917-W920 PolarHBondContact O-N 2.93Å; M917-W920 VanDerWaalsContact O-N 3.16Å; T918-W920 PolarHBondContact O-N 3.37Å; W920-G922 VanDerWaalsContact C-N 3.33Å; W920-V923 PolarHBondContact O-N 3.37Å; W920-L924 WeakPolarHBondContact O-CG 3.49Å; W920-L924 PolarHBondContact O-N 2.94Å
921L87.1Confident83.2Confident55 Ų5574 Ų7429%0.28842%0.423SS..Hα-helixtrans-65.6-36.6172.7-66.2171.1000111.6F906 F914 M917 T918 L924 V925F906-L921 HydrophobicContact CD1-CB 4.18Å; F906-L921 HydrophobicContact CE1-CB 3.35Å; F906-L921 HydrophobicContact CE1-CD1 4.32Å; F906-L921 HydrophobicContact CE1-CG 4.47Å; F906-L921 HydrophobicContact CZ-CB 3.78Å; F906-L921 HydrophobicContact CZ-CD1 4.31Å; F914-L921 HydrophobicContact CB-CD1 3.76Å; F914-L921 HydrophobicContact CD1-CD1 4Å; F914-L921 HydrophobicContact CD2-CD1 3.68Å; F914-L921 HydrophobicContact CE2-CD1 4.28Å; F914-L921 HydrophobicContact CG-CD1 3.54Å; M917-L921 HydrophobicContact CB-CD1 4.28Å; M917-L921 WeakPolarHBondContact O-CG 3.48Å; M917-L921 PolarHBondContact O-N 2.8Å; T918-L921 PolarHBondContact O-N 2.77Å; L921-L924 HydrophobicContact CD2-CD1 4.44Å; L921-L924 WeakPolarHBondContact O-CB 3.38Å; L921-L924 PolarHBondContact O-N 2.92Å; L921-V925 WeakPolarHBondContact O-CG2 3.47Å; L921-V925 PolarHBondContact O-N 3.47Å
922G84.8Confident83.5Confident0 Ų074.3 Ų74.30%043%0.425CS..Hα-helixtrans-65.3-40.4173.400000112.9S903 T918 P919 W920 L924 V925 G926S903-G922 WeakPolarHBondContact CA-O 3.31Å; S903-G922 VanDerWaalsContact CB-O 3.29Å; S903-G922 WeakPolarHBondContact CB-O 3.48Å; S903-G922 VanDerWaalsContact OG-C 3.25Å; S903-G922 PolarHBondContact OG-O 2.82Å; T918-G922 PolarHBondContact O-N 2.83Å; P919-G922 PolarHBondContact O-N 2.94Å; W920-G922 VanDerWaalsContact C-N 3.33Å; G922-L924 VanDerWaalsContact C-N 3.35Å; G922-L924 PolarHBondContact O-N 2.8Å; G922-V925 PolarHBondContact O-N 2.99Å; G922-G926 PolarHBondContact O-N 2.99Å
923V85.7Confident83.9Confident95 Ų9567.9 Ų67.958%0.57639%0.389SS*.Hα-helixtrans-60.6-43.6171.1168.60000111P919 W920 G926 G927P919-V923 WeakPolarHBondContact O-CG2 3.24Å; P919-V923 PolarHBondContact O-N 3.4Å; W920-V923 PolarHBondContact O-N 3.37Å; V923-G926 PolarHBondContact O-N 3.42Å; V923-G927 PolarHBondContact O-N 3.02Å
924L88Confident84Confident113 Ų11363.7 Ų63.759%0.59237%0.374SS*.Hα-helixtrans-62.3-42.9174.3-71.4168.3000112.1W920 L921 G922 G927 L928W920-L924 WeakPolarHBondContact O-CG 3.49Å; W920-L924 PolarHBondContact O-N 2.94Å; L921-L924 HydrophobicContact CD2-CD1 4.44Å; L921-L924 WeakPolarHBondContact O-CB 3.38Å; L921-L924 PolarHBondContact O-N 2.92Å; G922-L924 VanDerWaalsContact C-N 3.35Å; G922-L924 PolarHBondContact O-N 2.8Å; L924-G927 PolarHBondContact O-N 3.18Å; L924-L928 WeakPolarHBondContact O-CG 3.39Å; L924-L928 PolarHBondContact O-N 3.47Å
925V88.1Confident84.3Confident44 Ų4465.6 Ų65.627%0.26739%0.387SS..Hα-helixtrans-69.4-38178.3169.30000112.2F906 L921 G922 G927 L928 A929F906-V925 HydrophobicContact CB-CB 4.18Å; F906-V925 HydrophobicContact CB-CG1 4Å; F906-V925 HydrophobicContact CD2-CB 4.27Å; F906-V925 HydrophobicContact CD2-CG1 4.32Å; F906-V925 HydrophobicContact CD2-CG2 3.67Å; F906-V925 HydrophobicContact CE2-CG2 4.08Å; F906-V925 HydrophobicContact CG-CB 4.19Å; F906-V925 HydrophobicContact CG-CG1 4.37Å; F906-V925 HydrophobicContact CG-CG2 4.01Å; L921-V925 WeakPolarHBondContact O-CG2 3.47Å; L921-V925 PolarHBondContact O-N 3.47Å; G922-V925 PolarHBondContact O-N 2.99Å; V925-G927 VanDerWaalsContact C-N 3.34Å; V925-L928 PolarHBondContact O-N 3.35Å; V925-A929 WeakPolarHBondContact O-CB 3.49Å; V925-A929 PolarHBondContact O-N 2.71Å
926G87.6Confident84.2Confident8 Ų868.3 Ų68.38%0.08239%0.39CS..Hα-helixtrans-62.8-40170.400000112.2G899 G922 V923 A929 G930G899-G926 WeakPolarHBondContact CA-O 3.34Å; G899-G926 WeakPolarHBondContact O-CA 3.38Å; G922-G926 PolarHBondContact O-N 2.99Å; V923-G926 PolarHBondContact O-N 3.42Å; G926-A929 PolarHBondContact O-N 3.14Å; G926-G930 PolarHBondContact O-N 2.74Å
927G86.8Confident84.3Confident44 Ų4464.3 Ų64.345%0.45436%0.355SS..Hα-helixtrans-62.9-42.1171.800000113.1V923 L924 V925 G930 M931V923-G927 PolarHBondContact O-N 3.02Å; L924-G927 PolarHBondContact O-N 3.18Å; V925-G927 VanDerWaalsContact C-N 3.34Å; G927-G930 PolarHBondContact O-N 3.13Å; G927-M931 WeakPolarHBondContact O-CB 3.46Å; G927-M931 PolarHBondContact O-N 3.47Å
928L88.4Confident84.2Confident107 Ų10761 Ų6156%0.5635%0.346SS*.Hα-helixtrans-67-38.1175.1-72.5169.2000112.5L924 V925 M931 A932L924-L928 WeakPolarHBondContact O-CG 3.39Å; L924-L928 PolarHBondContact O-N 3.47Å; V925-L928 PolarHBondContact O-N 3.35Å; L928-M931 WeakPolarHBondContact O-CB 3.43Å; L928-M931 PolarHBondContact O-N 2.95Å; L928-A932 WeakPolarHBondContact O-CB 3.12Å; L928-A932 PolarHBondContact O-N 3.25Å
929A84.6Confident83.9Confident14 Ų1463.4 Ų63.412%0.11636%0.361CS..Hα-helixtrans-66.9-43.9173.700000111.6S902 V925 G926 M931 A932 F933S902-A929 VanDerWaalsContact CB-CB 3.43Å; S902-A929 VanDerWaalsContact OG-CB 3.25Å; S902-A929 WeakPolarHBondContact OG-CB 3.41Å; V925-A929 WeakPolarHBondContact O-CB 3.49Å; V925-A929 PolarHBondContact O-N 2.71Å; G926-A929 PolarHBondContact O-N 3.14Å; A929-M931 VanDerWaalsContact C-N 3.3Å; A929-M931 PolarHBondContact O-N 3.43Å; A929-A932 PolarHBondContact O-N 3.22Å; A929-A932 VanDerWaalsContact O-N 3.14Å; A929-F933 WeakPolarHBondContact O-CD2 3.27Å; A929-F933 PolarHBondContact O-N 3.38Å
930G84.8Confident83.4Confident10 Ų1060.2 Ų60.210%0.10334%0.34CS..Hα-helixtrans-60.3-39.2172.200000112.4G926 G927 S934G926-G930 PolarHBondContact O-N 2.74Å; G927-G930 PolarHBondContact O-N 3.13Å; G930-S934 VanDerWaalsContact O-CB 3.24Å; G930-S934 WeakPolarHBondContact O-CB 3.21Å; G930-S934 PolarHBondContact O-N 3.27Å; G930-S934 PolarHBondContact O-OG 3.23Å
931M85.7Confident82.6Confident126 Ų12652.3 Ų52.362%0.62131%0.313SS*.Hα-helixtrans-64.5-40.9172.1-173-173.3-63.200111.9G927 L928 A929 S934 L935G927-M931 WeakPolarHBondContact O-CB 3.46Å; G927-M931 PolarHBondContact O-N 3.47Å; L928-M931 WeakPolarHBondContact O-CB 3.43Å; L928-M931 PolarHBondContact O-N 2.95Å; A929-M931 VanDerWaalsContact C-N 3.3Å; A929-M931 PolarHBondContact O-N 3.43Å; M931-S934 PolarHBondContact O-N 2.96Å; M931-L935 VanDerWaalsContact O-CB 3.26Å; M931-L935 WeakPolarHBondContact O-CB 3.49Å; M931-L935 PolarHBondContact O-N 2.93Å
932A83.2Confident81.8Confident50 Ų5054.5 Ų54.541%0.41333%0.329SS..Hα-helixtrans-66.1-43177.500000112.4L928 A929 L935 L936L928-A932 WeakPolarHBondContact O-CB 3.12Å; L928-A932 PolarHBondContact O-N 3.25Å; A929-A932 PolarHBondContact O-N 3.22Å; A929-A932 VanDerWaalsContact O-N 3.14Å; A932-L935 PolarHBondContact O-N 3.42Å; A932-L936 WeakPolarHBondContact O-CG 3.37Å; A932-L936 PolarHBondContact O-N 3.3Å
933F82Confident81.1Confident40 Ų4057.6 Ų57.618%0.17535%0.35CS..Hα-helixtrans-65-42.3172.8-89-111.8000111.5I895 A898 A929 L935 L936 H937 M955 A959 L962I895-F933 HydrophobicContact CG1-CB 4.14Å; A898-F933 HydrophobicContact CB-CD1 3.86Å; A898-F933 HydrophobicContact CB-CD2 3.63Å; A898-F933 HydrophobicContact CB-CE1 3.84Å; A898-F933 HydrophobicContact CB-CE2 3.6Å; A898-F933 HydrophobicContact CB-CG 3.76Å; A898-F933 HydrophobicContact CB-CZ 3.71Å; A929-F933 WeakPolarHBondContact O-CD2 3.27Å; A929-F933 PolarHBondContact O-N 3.38Å; F933-L935 VanDerWaalsContact C-N 3.3Å; F933-L935 PolarHBondContact O-N 2.74Å; F933-L936 WeakPolarHBondContact O-CB 3.49Å; F933-L936 PolarHBondContact O-N 3.43Å; F933-H937 PolarHBondContact O-N 2.94Å; F933-M955 HydrophobicContact CB-CE 3.87Å; F933-M955 HydrophobicContact CD1-CE 3.99Å; F933-M955 HydrophobicContact CG-CE 4.43Å; F933-M955 VanDerWaalsContact O-CE 3.23Å; F933-M955 WeakPolarHBondContact O-CE 3.23Å; F933-A959 HydrophobicContact CE1-CB 4.39Å; F933-L962 HydrophobicContact CZ-CD2 4.28Å
934S83.3Confident79.8Confident43 Ų4355.2 Ų55.230%0.30133%0.332SS..Hα-helixtrans-63.3-35174.2-58.10000112.3G930 M931 H937 A938G930-S934 VanDerWaalsContact O-CB 3.24Å; G930-S934 WeakPolarHBondContact O-CB 3.21Å; G930-S934 PolarHBondContact O-N 3.27Å; G930-S934 PolarHBondContact O-OG 3.23Å; M931-S934 PolarHBondContact O-N 2.96Å; S934-H937 WeakPolarHBondContact O-CB 3.45Å; S934-H937 PolarHBondContact O-N 3.23Å; S934-A938 VanDerWaalsContact O-CB 3.3Å; S934-A938 WeakPolarHBondContact O-CB 3.42Å; S934-A938 PolarHBondContact O-N 3.41Å
935L83.9Confident78.4Confident111 Ų11152.4 Ų52.458%0.58131%0.314SS*.Hα-helixtrans-69.2-39.2174.8-178.561.6000111.3M931 A932 F933 H937 A938 V939M931-L935 VanDerWaalsContact O-CB 3.26Å; M931-L935 WeakPolarHBondContact O-CB 3.49Å; M931-L935 PolarHBondContact O-N 2.93Å; A932-L935 PolarHBondContact O-N 3.42Å; F933-L935 VanDerWaalsContact C-N 3.3Å; F933-L935 PolarHBondContact O-N 2.74Å; L935-H937 VanDerWaalsContact C-N 3.34Å; L935-A938 PolarHBondContact O-N 2.84Å; L935-V939 HydrophobicContact CD1-CG2 4.14Å; L935-V939 HydrophobicContact CG-CG2 4.42Å; L935-V939 VanDerWaalsContact O-CB 3.28Å; L935-V939 WeakPolarHBondContact O-CB 3.4Å; L935-V939 VanDerWaalsContact O-CG2 3.23Å; L935-V939 WeakPolarHBondContact O-CG2 3.11Å; L935-V939 PolarHBondContact O-N 3.04Å
936L77.9Confident77.1Confident100 Ų10050.8 Ų50.852%0.52431%0.305SS..Hα-helixtrans-62-41.6170.8-71.1168.3000111.3A932 F933 A940A932-L936 WeakPolarHBondContact O-CG 3.37Å; A932-L936 PolarHBondContact O-N 3.3Å; F933-L936 WeakPolarHBondContact O-CB 3.49Å; F933-L936 PolarHBondContact O-N 3.43Å; L936-A940 VanDerWaalsContact O-CB 3.22Å; L936-A940 WeakPolarHBondContact O-CB 3.39Å; L936-A940 PolarHBondContact O-N 2.88Å
937H80Confident76.2Confident11 Ų1152.7 Ų52.75%0.05131%0.313CS..Hα-helixtrans-63.6-43.1175.1-166.1-144.5000112.8N889 F933 S934 L935 A940 T941 H948 S951 G952 M955N889-H937 PolarHBondContact OD1-CE1 3.42Å; N889-H937 PolarHBondContact OD1-ND1 2.9Å; F933-H937 PolarHBondContact O-N 2.94Å; S934-H937 WeakPolarHBondContact O-CB 3.45Å; S934-H937 PolarHBondContact O-N 3.23Å; L935-H937 VanDerWaalsContact C-N 3.34Å; H937-A940 WeakPolarHBondContact O-CB 3.26Å; H937-A940 PolarHBondContact O-N 3.38Å; H937-T941 WeakPolarHBondContact O-CB 2.98Å; H937-T941 PolarHBondContact O-N 3.43Å; H937-T941 PolarHBondContact O-OG1 3.07Å; H937-H948 PolarHBondContact NE2-O 3.01Å; H937-S951 PolarHBondContact CD2-OG 3.41Å; H937-S951 PolarHBondContact NE2-OG 3.39Å; H937-G952 PolarHBondContact NE2-N 2.96Å; H937-M955 HydrophobicContact CB-CE 3.92Å; H937-M955 HydrophobicContact CB-SD 3.53Å; H937-M955 VanDerWaalsContact CB-SD 3.53Å
938A79.7Confident75.5Confident46 Ų4652.9 Ų52.938%0.3830%0.302SS..Hα-helixtrans-69.4-42.8177.600000111.8S934 L935 A940 T941 V942S934-A938 VanDerWaalsContact O-CB 3.3Å; S934-A938 WeakPolarHBondContact O-CB 3.42Å; S934-A938 PolarHBondContact O-N 3.41Å; L935-A938 PolarHBondContact O-N 2.84Å; A938-A940 VanDerWaalsContact C-N 3.32Å; A938-A940 PolarHBondContact O-N 3.18Å; A938-T941 PolarHBondContact O-N 2.92Å; A938-V942 VanDerWaalsContact O-CB 3.23Å; A938-V942 WeakPolarHBondContact O-CB 3.26Å; A938-V942 WeakPolarHBondContact O-CG2 3.38Å; A938-V942 PolarHBondContact O-N 3.38Å
939V76.2Confident74.7Confident53 Ų5349.1 Ų49.132%0.32128%0.283SS..Hα-helixtrans-63.8-38.6174.2167.40000110.7L935 S943 F944L935-V939 HydrophobicContact CD1-CG2 4.14Å; L935-V939 HydrophobicContact CG-CG2 4.42Å; L935-V939 VanDerWaalsContact O-CB 3.28Å; L935-V939 WeakPolarHBondContact O-CB 3.4Å; L935-V939 VanDerWaalsContact O-CG2 3.23Å; L935-V939 WeakPolarHBondContact O-CG2 3.11Å; L935-V939 PolarHBondContact O-N 3.04Å; V939-S943 WeakPolarHBondContact O-CA 3.42Å; V939-S943 WeakPolarHBondContact O-CB 3.14Å; V939-S943 PolarHBondContact O-N 2.77Å; V939-F944 HydrophobicContact CG1-CD2 4.01Å; V939-F944 HydrophobicContact CG1-CE2 3.64Å; V939-F944 PolarHBondContact O-N 3.04Å; V939-F944 VanDerWaalsContact O-N 3.11Å
940A67.8Low73.8Confident1 Ų148.9 Ų48.91%0.00828%0.279CS..Hα-helixtrans-60.4-50.9171.700000112.4F823 I827 L936 H937 A938 F944 R945 A946F823-A940 HydrophobicContact CE1-CB 3.34Å; F823-A940 HydrophobicContact CE2-CB 4.47Å; F823-A940 HydrophobicContact CZ-CB 3.31Å; I827-A940 HydrophobicContact CD1-CB 4.04Å; L936-A940 VanDerWaalsContact O-CB 3.22Å; L936-A940 WeakPolarHBondContact O-CB 3.39Å; L936-A940 PolarHBondContact O-N 2.88Å; H937-A940 WeakPolarHBondContact O-CB 3.26Å; H937-A940 PolarHBondContact O-N 3.38Å; A938-A940 VanDerWaalsContact C-N 3.32Å; A938-A940 PolarHBondContact O-N 3.18Å; A940-F944 CarbonylContact O-C 3.54Å; A940-F944 VanDerWaalsContact O-C 3.23Å; A940-F944 WeakPolarHBondContact O-CA 3.27Å; A940-F944 WeakPolarHBondContact O-CB 3.44Å; A940-F944 PolarHBondContact O-N 3.31Å; A940-R945 PolarHBondContact O-N 2.93Å; A940-A946 HydrophobicContact CB-CB 4.11Å; A940-A946 WeakPolarHBondContact O-CB 3.48Å; A940-A946 PolarHBondContact O-N 3.48Å
941T68.9Low73.2Confident27 Ų2748.6 Ų48.617%0.16628%0.275CS..Hα-helixtrans-71.9-38.9-175.7-54.90000112.4H937 A938 R945 H948H937-T941 WeakPolarHBondContact O-CB 2.98Å; H937-T941 PolarHBondContact O-N 3.43Å; H937-T941 PolarHBondContact O-OG1 3.07Å; A938-T941 PolarHBondContact O-N 2.92Å; T941-R945 VanDerWaalsContact O-CA 3.28Å; T941-R945 WeakPolarHBondContact O-CA 3.41Å; T941-R945 PolarHBondContact O-N 2.92Å; T941-H948 HydrophobicContact CG2-CB 3.95Å
942V70.7Confident72.8Confident102 Ų10242.6 Ų42.662%0.61825%0.246SC*.Hα-helixtrans-93.2-55.2-174.3-179.60000112.4A938A938-V942 VanDerWaalsContact O-CB 3.23Å; A938-V942 WeakPolarHBondContact O-CB 3.26Å; A938-V942 WeakPolarHBondContact O-CG2 3.38Å; A938-V942 PolarHBondContact O-N 3.38Å
943S70.6Confident72.3Confident64 Ų6441.5 Ų41.545%0.44823%0.234SC..THydrogen-bonded Turntrans-76.1-37.5-177.2-53.60000111.8V939V939-S943 WeakPolarHBondContact O-CA 3.42Å; V939-S943 WeakPolarHBondContact O-CB 3.14Å; V939-S943 PolarHBondContact O-N 2.77Å
944F57.8Low71.8Confident46 Ų4639.7 Ų39.720%0.20223%0.227CC..SBendtrans-104-1.7-176.2-59.5-52.3000114.6K505 A506 L509 F824 I827 V831 V939 A940 A946K505-F944 WeakPolarHBondContact O-CD1 3.46Å; A506-F944 HydrophobicContact CB-CB 3.74Å; A506-F944 HydrophobicContact CB-CD1 3.76Å; A506-F944 HydrophobicContact CB-CG 4.14Å; A506-F944 WeakPolarHBondContact CB-O 3.33Å; L509-F944 HydrophobicContact CD2-CD2 4.18Å; L509-F944 HydrophobicContact CD2-CE1 4.41Å; L509-F944 HydrophobicContact CD2-CE2 3.29Å; L509-F944 HydrophobicContact CD2-CZ 3.44Å; L509-F944 VanDerWaalsContact CD2-CZ 3.44Å; F824-F944 HydrophobicContact CE1-CD2 4.05Å; F824-F944 HydrophobicContact CE1-CE2 4.44Å; I827-F944 HydrophobicContact CD1-CB 4.33Å; I827-F944 HydrophobicContact CG2-CB 3.96Å; V831-F944 WeakPolarHBondContact CG2-O 3.45Å; V939-F944 HydrophobicContact CG1-CD2 4.01Å; V939-F944 HydrophobicContact CG1-CE2 3.64Å; V939-F944 PolarHBondContact O-N 3.04Å; V939-F944 VanDerWaalsContact O-N 3.11Å; A940-F944 CarbonylContact O-C 3.54Å; A940-F944 VanDerWaalsContact O-C 3.23Å; A940-F944 WeakPolarHBondContact O-CA 3.27Å; A940-F944 WeakPolarHBondContact O-CB 3.44Å; A940-F944 PolarHBondContact O-N 3.31Å; F944-A946 VanDerWaalsContact C-N 3.3Å; F944-A946 PolarHBondContact O-N 3.39Å
945R59.2Low71.5Confident54 Ų5438 Ų3820%0.20421%0.214CC..  trans52.444.9-179.3-67-179.1159.8-144.8-16.9113L503 I830 V831 V838 A940 T941L503-R945 VanDerWaalsContact O-CZ 3.28Å; L503-R945 PolarHBondContact O-NE 2.89Å; L503-R945 PolarHBondContact O-NH1 3.41Å; I830-R945 VanDerWaalsContact CG2-O 3.32Å; I830-R945 WeakPolarHBondContact CG2-O 3.32Å; V831-R945 HydrophobicContact CG2-CB 3.94Å; V838-R945 PolarHBondContact O-NH2 3.11Å; A940-R945 PolarHBondContact O-N 2.93Å; T941-R945 VanDerWaalsContact O-CA 3.28Å; T941-R945 WeakPolarHBondContact O-CA 3.41Å; T941-R945 PolarHBondContact O-N 2.92Å
946A61Low71.2Confident9 Ų933.9 Ų33.97%0.07419%0.193CC..  trans-58.6145.7163.200000110.6I827 A940 F944 H948I827-A946 HydrophobicContact CD1-CB 3.86Å; I827-A946 HydrophobicContact CG1-CB 3.38Å; A940-A946 HydrophobicContact CB-CB 4.11Å; A940-A946 WeakPolarHBondContact O-CB 3.48Å; A940-A946 PolarHBondContact O-N 3.48Å; F944-A946 VanDerWaalsContact C-N 3.3Å; F944-A946 PolarHBondContact O-N 3.39Å; A946-H948 PolarHBondContact O-N 2.87Å
947D68.3Low71Confident49 Ų4932.8 Ų32.826%0.26219%0.187SC..  trans-67.6126.7152.6179.5-70.2000107.6I830 I949 I950 S951I830-D947 HydrophobicContact CD1-CB 3.32Å; I830-D947 HydrophobicContact CG1-CB 4.23Å; I830-D947 HydrophobicContact CG2-CB 4.5Å; D947-I949 VanDerWaalsContact C-N 3.28Å; D947-I949 PolarHBondContact O-N 2.87Å; D947-I949 WeakPolarHBondContact OD1-CA 3.32Å; D947-I949 VanDerWaalsContact OD1-CB 3.24Å; D947-I949 WeakPolarHBondContact OD1-CB 3.4Å; D947-I949 PolarHBondContact OD1-N 3.17Å; D947-I950 HydrophobicContact CB-CB 4.41Å; D947-I950 HydrophobicContact CB-CD1 4.15Å; D947-I950 HydrophobicContact CB-CG1 4.1Å; D947-I950 PolarHBondContact O-N 3.16Å; D947-I950 PolarHBondContact OD1-N 2.82Å; D947-S951 PolarHBondContact O-N 3.08Å; D947-S951 PolarHBondContact O-OG 2.75Å
948H72.4Confident70.8Confident47 Ų4733.2 Ų33.222%0.21819%0.189CC..Hα-helixtrans-70.5-23.7-172.455-104.5000113.3I887 V888 H937 T941 A946 S951 G952I887-H948 HydrophobicContact CG2-CB 3.95Å; V888-H948 PolarHBondContact O-CD2 3.36Å; H937-H948 PolarHBondContact NE2-O 3.01Å; T941-H948 HydrophobicContact CG2-CB 3.95Å; A946-H948 PolarHBondContact O-N 2.87Å; H948-S951 WeakPolarHBondContact CA-OG 3.41Å; H948-S951 PolarHBondContact O-OG 2.72Å; H948-G952 PolarHBondContact O-N 3.04Å
949I70.9Confident70.7Confident29 Ų2931.1 Ų31.115%0.14917%0.172CC..Hα-helixtrans-72.7-49.7173.8-60.3167.1000108.5F569 V890 D947 S951 G952 T953F569-I949 HydrophobicContact CE2-CD1 3.6Å; F569-I949 HydrophobicContact CZ-CD1 4.08Å; V890-I949 HydrophobicContact CG2-CB 4.38Å; V890-I949 HydrophobicContact CG2-CG1 4.16Å; V890-I949 HydrophobicContact CG2-CG2 4.16Å; D947-I949 VanDerWaalsContact C-N 3.28Å; D947-I949 PolarHBondContact O-N 2.87Å; D947-I949 WeakPolarHBondContact OD1-CA 3.32Å; D947-I949 VanDerWaalsContact OD1-CB 3.24Å; D947-I949 WeakPolarHBondContact OD1-CB 3.4Å; D947-I949 PolarHBondContact OD1-N 3.17Å; I949-S951 PolarHBondContact O-N 3.38Å; I949-G952 PolarHBondContact O-N 2.85Å; I949-T953 WeakPolarHBondContact O-CB 3.41Å; I949-T953 PolarHBondContact O-N 3.49Å; I949-T953 PolarHBondContact O-OG1 2.86Å
950I66.3Low70.7Confident9 Ų931 Ų315%0.04617%0.172CC..Hα-helixtrans-63.9-46-179.8-54.4179.7000111.1L778 A826 I830 D947 G952 V954L778-I950 HydrophobicContact CB-CD1 3.59Å; L778-I950 HydrophobicContact CB-CG1 4.1Å; L778-I950 HydrophobicContact CD1-CD1 4.25Å; L778-I950 HydrophobicContact CD1-CG1 3.8Å; L778-I950 HydrophobicContact CG-CD1 4.49Å; A826-I950 HydrophobicContact CB-CD1 4.17Å; A826-I950 HydrophobicContact CB-CG2 3.68Å; I830-I950 HydrophobicContact CD1-CD1 3.58Å; D947-I950 HydrophobicContact CB-CB 4.41Å; D947-I950 HydrophobicContact CB-CD1 4.15Å; D947-I950 HydrophobicContact CB-CG1 4.1Å; D947-I950 PolarHBondContact O-N 3.16Å; D947-I950 PolarHBondContact OD1-N 2.82Å; I950-G952 VanDerWaalsContact C-N 3.29Å; I950-G952 PolarHBondContact O-N 2.94Å; I950-V954 HydrophobicContact CG2-CG2 4.27Å; I950-V954 VanDerWaalsContact O-CB 3.29Å; I950-V954 WeakPolarHBondContact O-CB 3.29Å; I950-V954 WeakPolarHBondContact O-CG2 3.44Å; I950-V954 PolarHBondContact O-N 3.28Å
951S71.8Confident70.7Confident3 Ų332.1 Ų32.12%0.02118%0.18CC..Hα-helixtrans-63.7-36.7177.757.30000111.7F823 H937 D947 H948 I949 M955F823-S951 VanDerWaalsContact CE2-CB 3.41Å; F823-S951 WeakPolarHBondContact CE2-O 3.45Å; H937-S951 PolarHBondContact CD2-OG 3.41Å; H937-S951 PolarHBondContact NE2-OG 3.39Å; D947-S951 PolarHBondContact O-N 3.08Å; D947-S951 PolarHBondContact O-OG 2.75Å; H948-S951 WeakPolarHBondContact CA-OG 3.41Å; H948-S951 PolarHBondContact O-OG 2.72Å; I949-S951 PolarHBondContact O-N 3.38Å; S951-M955 WeakPolarHBondContact O-CG 3.34Å; S951-M955 PolarHBondContact O-N 3.02Å; S951-M955 VanDerWaalsContact O-N 3.08Å
952G76.6Confident71Confident0 Ų031.9 Ų31.90%018%0.177CC..Hα-helixtrans-64.2-56.9174.100000113.1G891 H937 H948 I949 I950 V954 M955 N956G891-G952 WeakPolarHBondContact CA-O 3.47Å; G891-G952 VanDerWaalsContact N-CA 3.33Å; H937-G952 PolarHBondContact NE2-N 2.96Å; H948-G952 PolarHBondContact O-N 3.04Å; I949-G952 PolarHBondContact O-N 2.85Å; I950-G952 VanDerWaalsContact C-N 3.29Å; I950-G952 PolarHBondContact O-N 2.94Å; G952-V954 PolarHBondContact O-N 2.92Å; G952-V954 VanDerWaalsContact O-N 3.16Å; G952-M955 WeakPolarHBondContact O-CA 3.35Å; G952-M955 WeakPolarHBondContact O-CB 3.16Å; G952-M955 PolarHBondContact O-N 2.77Å; G952-N956 PolarHBondContact O-N 3.37Å; G952-N956 VanDerWaalsContact O-N 3.11Å; G952-N956 PolarHBondContact O-OD1 3.32Å
953T73.1Confident71.3Confident28 Ų2827.5 Ų27.517%0.17215%0.152CC..Hα-helixtrans-52-40.6176.1-59.80000111.7I949 N956 L957I949-T953 WeakPolarHBondContact O-CB 3.41Å; I949-T953 PolarHBondContact O-N 3.49Å; I949-T953 PolarHBondContact O-OG1 2.86Å; T953-N956 PolarHBondContact O-N 3.29Å; T953-L957 HydrophobicContact CG2-CD1 4.42Å; T953-L957 WeakPolarHBondContact O-CG 3.43Å; T953-L957 PolarHBondContact O-N 2.83Å; T953-L957 VanDerWaalsContact O-N 3.07Å
954V72.4Confident71.1Confident2 Ų227.1 Ų27.11%0.01214%0.144CC..Hα-helixtrans-70.6-28.6178.5169.30000112.9P819 I822 F823 I950 G952 L957 L958P819-V954 HydrophobicContact CB-CG1 3.75Å; P819-V954 WeakPolarHBondContact O-CG1 3.48Å; I822-V954 HydrophobicContact CG2-CG2 4.23Å; F823-V954 HydrophobicContact CB-CG1 3.73Å; F823-V954 HydrophobicContact CD2-CB 3.98Å; F823-V954 HydrophobicContact CD2-CG1 3.64Å; F823-V954 HydrophobicContact CG-CG1 4.17Å; I950-V954 HydrophobicContact CG2-CG2 4.27Å; I950-V954 VanDerWaalsContact O-CB 3.29Å; I950-V954 WeakPolarHBondContact O-CB 3.29Å; I950-V954 WeakPolarHBondContact O-CG2 3.44Å; I950-V954 PolarHBondContact O-N 3.28Å; G952-V954 PolarHBondContact O-N 2.92Å; G952-V954 VanDerWaalsContact O-N 3.16Å; V954-L957 PolarHBondContact O-N 3.43Å; V954-L958 VanDerWaalsContact O-CB 3.25Å; V954-L958 WeakPolarHBondContact O-CB 3.41Å; V954-L958 PolarHBondContact O-N 3.34Å
955M76.4Confident71.6Confident6 Ų625.2 Ų25.23%0.0314%0.136CC..Hα-helixtrans-69.7-37.5170.5-72.7169.167.700112.2F823 I895 F933 H937 S951 G952 L957 L958 A959F823-M955 HydrophobicContact CE2-CG 4.13Å; F823-M955 HydrophobicContact CE2-SD 4.38Å; I895-M955 HydrophobicContact CD1-CE 4.04Å; I895-M955 HydrophobicContact CG1-CE 3.6Å; F933-M955 HydrophobicContact CB-CE 3.87Å; F933-M955 HydrophobicContact CD1-CE 3.99Å; F933-M955 HydrophobicContact CG-CE 4.43Å; F933-M955 VanDerWaalsContact O-CE 3.23Å; F933-M955 WeakPolarHBondContact O-CE 3.23Å; H937-M955 HydrophobicContact CB-CE 3.92Å; H937-M955 HydrophobicContact CB-SD 3.53Å; H937-M955 VanDerWaalsContact CB-SD 3.53Å; S951-M955 WeakPolarHBondContact O-CG 3.34Å; S951-M955 PolarHBondContact O-N 3.02Å; S951-M955 VanDerWaalsContact O-N 3.08Å; G952-M955 WeakPolarHBondContact O-CA 3.35Å; G952-M955 WeakPolarHBondContact O-CB 3.16Å; G952-M955 PolarHBondContact O-N 2.77Å; M955-L957 VanDerWaalsContact C-N 3.27Å; M955-L957 PolarHBondContact O-N 3.02Å; M955-L958 PolarHBondContact O-N 3.27Å; M955-A959 WeakPolarHBondContact O-CB 3.44Å; M955-A959 PolarHBondContact O-N 3.4Å
956N76.7Confident72.2Confident26 Ų2624.1 Ų24.114%0.13913%0.134CC..Hα-helixtrans-65.3-32.7173.3-56.61.8000111.3V890 G891 E893 G894 G952 T953 P960V890-N956 PolarHBondContact O-ND2 3.04Å; V890-N956 PolarHBondContact O-OD1 3.04Å; G891-N956 VanDerWaalsContact CA-OD1 3.22Å; G891-N956 WeakPolarHBondContact CA-OD1 3.41Å; G891-N956 PolarHBondContact O-OD1 3.17Å; E893-N956 HydrophobicContact CB-CB 4.39Å; E893-N956 PolarHBondContact OE2-ND2 2.93Å; G894-N956 PolarHBondContact N-OD1 2.77Å; G952-N956 PolarHBondContact O-N 3.37Å; G952-N956 VanDerWaalsContact O-N 3.11Å; G952-N956 PolarHBondContact O-OD1 3.32Å; T953-N956 PolarHBondContact O-N 3.29Å; N956-P960 WeakPolarHBondContact O-CD 3.43Å; N956-P960 WeakPolarHBondContact O-CG 3.24Å
957L73.5Confident72.4Confident76 Ų7624.3 Ų24.340%0.39813%0.133SC..Hα-helixtrans-75.1-27.9172.8-67.3171.5000113.7P819 T953 V954 M955 P961P819-L957 HydrophobicContact CB-CB 4.08Å; P819-L957 HydrophobicContact CG-CB 3.98Å; T953-L957 HydrophobicContact CG2-CD1 4.42Å; T953-L957 WeakPolarHBondContact O-CG 3.43Å; T953-L957 PolarHBondContact O-N 2.83Å; T953-L957 VanDerWaalsContact O-N 3.07Å; V954-L957 PolarHBondContact O-N 3.43Å; M955-L957 VanDerWaalsContact C-N 3.27Å; M955-L957 PolarHBondContact O-N 3.02Å; L957-P961 WeakPolarHBondContact O-CD 3.35Å
958L75.6Confident72.1Confident20 Ų2025.2 Ų25.211%0.10514%0.135CC..Hα-helixtrans-83.9-44.8-176.9172.560.6000113.1S816 P819 V954 M955 P961 L962S816-L958 WeakPolarHBondContact O-CD1 3.4Å; P819-L958 HydrophobicContact CB-CB 4.41Å; V954-L958 VanDerWaalsContact O-CB 3.25Å; V954-L958 WeakPolarHBondContact O-CB 3.41Å; V954-L958 PolarHBondContact O-N 3.34Å; M955-L958 PolarHBondContact O-N 3.27Å; L958-P961 WeakPolarHBondContact O-CD 3.2Å; L958-L962 HydrophobicContact CD1-CD2 4.42Å; L958-L962 VanDerWaalsContact O-CB 3.29Å; L958-L962 WeakPolarHBondContact O-CB 3.43Å; L958-L962 PolarHBondContact O-N 3.16Å; L958-L962 VanDerWaalsContact O-N 3.16Å
959A79.2Confident71.8Confident3 Ų326.9 Ų26.93%0.02515%0.148CC..Hα-helixtrans-68.3-42.2-16600000114.7G894 V897 F933 M955 L962 A963G894-A959 WeakPolarHBondContact O-CB 3.48Å; V897-A959 HydrophobicContact CB-CB 4.15Å; V897-A959 HydrophobicContact CG1-CB 4.07Å; F933-A959 HydrophobicContact CE1-CB 4.39Å; M955-A959 WeakPolarHBondContact O-CB 3.44Å; M955-A959 PolarHBondContact O-N 3.4Å; A959-L962 PolarHBondContact O-N 3.4Å; A959-A963 WeakPolarHBondContact O-CB 3.36Å; A959-A963 PolarHBondContact O-N 2.97Å
960P76.5Confident71.5Confident50 Ų5029.4 Ų29.433%0.32516%0.161SC..Hα-helixtrans-65.4-47.3-179.9-16.428.5000113.4V897 N956 L962 A963 I964V897-P960 HydrophobicContact CG1-CB 4.44Å; V897-P960 HydrophobicContact CG1-CG 4.31Å; V897-P960 HydrophobicContact CG2-CG 4.5Å; N956-P960 WeakPolarHBondContact O-CD 3.43Å; N956-P960 WeakPolarHBondContact O-CG 3.24Å; P960-L962 VanDerWaalsContact C-N 3.33Å; P960-L962 PolarHBondContact O-N 3.43Å; P960-A963 PolarHBondContact O-N 2.7Å; P960-I964 VanDerWaalsContact O-CG1 3.32Å; P960-I964 WeakPolarHBondContact O-CG1 3.28Å; P960-I964 PolarHBondContact O-N 3.2Å; P960-I964 VanDerWaalsContact O-N 3.07Å
961P66.7Low71.3Confident25 Ų2531.3 Ų31.316%0.16217%0.168CC..Hα-helixtrans-58.4-43.6172-25.135.2000112.6E812 N815 L957 L958 A963 I964 F965E812-P961 WeakPolarHBondContact CB-O 3.46Å; E812-P961 WeakPolarHBondContact O-CB 3.13Å; N815-P961 HydrophobicContact CB-CB 3.99Å; N815-P961 HydrophobicContact CB-CG 4.18Å; L957-P961 WeakPolarHBondContact O-CD 3.35Å; L958-P961 WeakPolarHBondContact O-CD 3.2Å; P961-A963 PolarHBondContact O-N 3.02Å; P961-I964 PolarHBondContact O-N 3.26Å; P961-F965 VanDerWaalsContact O-CB 3.31Å; P961-F965 WeakPolarHBondContact O-CB 3.35Å; P961-F965 PolarHBondContact O-N 3.29Å
962L76.4Confident70.3Confident21 Ų2132.6 Ų32.611%0.1118%0.182CC..Hα-helixtrans-65.5-38.3-179-176.158.2000112.4L517 S816 F933 L958 A959 P960 L966L517-L962 HydrophobicContact CD1-CD1 4.27Å; S816-L962 WeakPolarHBondContact OG-CA 3.18Å; S816-L962 PolarHBondContact OG-N 3.27Å; F933-L962 HydrophobicContact CZ-CD2 4.28Å; L958-L962 HydrophobicContact CD1-CD2 4.42Å; L958-L962 VanDerWaalsContact O-CB 3.29Å; L958-L962 WeakPolarHBondContact O-CB 3.43Å; L958-L962 PolarHBondContact O-N 3.16Å; L958-L962 VanDerWaalsContact O-N 3.16Å; A959-L962 PolarHBondContact O-N 3.4Å; P960-L962 VanDerWaalsContact C-N 3.33Å; P960-L962 PolarHBondContact O-N 3.43Å; L962-L966 HydrophobicContact CD1-CD1 4.15Å; L962-L966 HydrophobicContact CD1-CG 4.3Å; L962-L966 HydrophobicContact CG-CD1 4.03Å; L962-L966 WeakPolarHBondContact O-CB 3.44Å; L962-L966 WeakPolarHBondContact O-CD1 3.27Å; L962-L966 VanDerWaalsContact O-CG 3.22Å; L962-L966 WeakPolarHBondContact O-CG 3.49Å; L962-L966 PolarHBondContact O-N 2.98Å
963A75.6Confident68.8Low10 Ų1041 Ų418%0.08322%0.219CC..Hα-helixtrans-63.5-50.8174.600000111.7V897 F901 A959 P960 P961 F965 L966 I967V897-A963 HydrophobicContact CG1-CB 4.18Å; F901-A963 HydrophobicContact CB-CB 3.86Å; F901-A963 HydrophobicContact CD2-CB 4.03Å; F901-A963 HydrophobicContact CG-CB 3.94Å; A959-A963 WeakPolarHBondContact O-CB 3.36Å; A959-A963 PolarHBondContact O-N 2.97Å; P960-A963 PolarHBondContact O-N 2.7Å; P961-A963 PolarHBondContact O-N 3.02Å; A963-F965 VanDerWaalsContact C-N 3.3Å; A963-F965 PolarHBondContact O-N 2.7Å; A963-L966 PolarHBondContact O-N 3.11Å; A963-I967 WeakPolarHBondContact O-CD1 3.25Å; A963-I967 VanDerWaalsContact O-CG1 3.28Å; A963-I967 WeakPolarHBondContact O-CG1 3.43Å; A963-I967 PolarHBondContact O-N 3Å
964I66.5Low67.4Low57 Ų5741.7 Ų41.729%0.29223%0.231SC..Hα-helixtrans-60.5-41.5178.6-61.6166.8000110.7E812 P960 P961 I967 K968E812-I964 HydrophobicContact CG-CB 4.44Å; E812-I964 HydrophobicContact CG-CG2 4.07Å; P960-I964 VanDerWaalsContact O-CG1 3.32Å; P960-I964 WeakPolarHBondContact O-CG1 3.28Å; P960-I964 PolarHBondContact O-N 3.2Å; P960-I964 VanDerWaalsContact O-N 3.07Å; P961-I964 PolarHBondContact O-N 3.26Å; I964-I967 PolarHBondContact O-N 3.34Å; I964-K968 HydrophobicContact CG2-CD 4.37Å; I964-K968 WeakPolarHBondContact O-CG 3.32Å; I964-K968 PolarHBondContact O-N 3.1Å; I964-K968 VanDerWaalsContact O-N 3.13Å
965F69.1Low65.9Low5 Ų546.6 Ų46.62%0.02225%0.254CS..Hα-helixtrans-58-49.7174.3178.2-104.2000112.1F521 F523 P810 E812 L813 P961 A963 I967 K968 V969F521-F965 HydrophobicContact CB-CE1 3.93Å; F521-F965 HydrophobicContact CB-CZ 3.84Å; F521-F965 AromaticContact CD1-CE1 3.86Å; F521-F965 HydrophobicContact CD1-CE1 3.86Å; F521-F965 HydrophobicContact CD2-CD1 4.36Å; F521-F965 AromaticContact CD2-CE1 3.47Å; F521-F965 HydrophobicContact CD2-CE1 3.47Å; F521-F965 VanDerWaalsContact CD2-CE1 3.47Å; F521-F965 HydrophobicContact CD2-CZ 4.16Å; F521-F965 HydrophobicContact CE1-CE1 4.28Å; F521-F965 HydrophobicContact CE2-CD1 4.45Å; F521-F965 AromaticContact CE2-CE1 3.93Å; F521-F965 HydrophobicContact CE2-CE1 3.93Å; F521-F965 AromaticContact CG-CE1 3.46Å; F521-F965 HydrophobicContact CG-CE1 3.46Å; F521-F965 VanDerWaalsContact CG-CE1 3.46Å; F521-F965 AromaticContact CG-CZ 3.92Å; F521-F965 HydrophobicContact CG-CZ 3.92Å; F521-F965 HydrophobicContact CZ-CE1 4.33Å; F523-F965 HydrophobicContact CE2-CE2 4.46Å; F523-F965 HydrophobicContact CE2-CZ 4.18Å; P810-F965 HydrophobicContact CB-CD2 3.98Å; P810-F965 HydrophobicContact CB-CE2 3.88Å; P810-F965 HydrophobicContact CG-CD2 4.5Å; P810-F965 HydrophobicContact CG-CE2 3.91Å; E812-F965 HydrophobicContact CB-CB 3.63Å; E812-F965 HydrophobicContact CB-CD2 4.31Å; E812-F965 HydrophobicContact CB-CG 4.42Å; L813-F965 HydrophobicContact CB-CD1 4.48Å; L813-F965 HydrophobicContact CB-CD2 3.76Å; L813-F965 HydrophobicContact CB-CE1 4.44Å; L813-F965 HydrophobicContact CB-CE2 3.7Å; L813-F965 HydrophobicContact CB-CG 4.15Å; L813-F965 HydrophobicContact CB-CZ 4.06Å; L813-F965 HydrophobicContact CD1-CE1 4.48Å; L813-F965 HydrophobicContact CD2-CE1 4.37Å; L813-F965 HydrophobicContact CD2-CE2 4.12Å; L813-F965 HydrophobicContact CD2-CZ 3.8Å; L813-F965 HydrophobicContact CG-CE2 4.48Å; L813-F965 HydrophobicContact CG-CZ 4.39Å; P961-F965 VanDerWaalsContact O-CB 3.31Å; P961-F965 WeakPolarHBondContact O-CB 3.35Å; P961-F965 PolarHBondContact O-N 3.29Å; A963-F965 VanDerWaalsContact C-N 3.3Å; A963-F965 PolarHBondContact O-N 2.7Å; F965-I967 PolarHBondContact O-N 3.41Å; F965-K968 PolarHBondContact O-N 2.73Å; F965-V969 HydrophobicContact CD1-CG2 4.3Å; F965-V969 HydrophobicContact CD2-CG2 4.45Å; F965-V969 HydrophobicContact CE1-CG2 3.74Å; F965-V969 HydrophobicContact CE2-CG2 3.92Å; F965-V969 HydrophobicContact CZ-CG2 3.53Å; F965-V969 WeakPolarHBondContact O-CG2 3.11Å; F965-V969 PolarHBondContact O-N 3.06Å
966L70.5Confident64.1Low31 Ų3146.3 Ų46.316%0.16225%0.253CS..Hα-helixtrans-66-37.8-177.9-74.3168.1000112.3F521 F901 L962 A963 K968 V969 I970F521-L966 HydrophobicContact CE1-CD2 3.5Å; F521-L966 HydrophobicContact CZ-CD2 3.52Å; F901-L966 HydrophobicContact CD1-CD1 4.39Å; F901-L966 HydrophobicContact CE1-CB 4.17Å; F901-L966 HydrophobicContact CE1-CD1 3.54Å; F901-L966 HydrophobicContact CE1-CG 4.48Å; F901-L966 HydrophobicContact CE2-CB 3.55Å; F901-L966 HydrophobicContact CE2-CD1 4.43Å; F901-L966 HydrophobicContact CZ-CB 3.31Å; F901-L966 HydrophobicContact CZ-CD1 3.58Å; F901-L966 HydrophobicContact CZ-CG 4.04Å; L962-L966 HydrophobicContact CD1-CD1 4.15Å; L962-L966 HydrophobicContact CD1-CG 4.3Å; L962-L966 HydrophobicContact CG-CD1 4.03Å; L962-L966 WeakPolarHBondContact O-CB 3.44Å; L962-L966 WeakPolarHBondContact O-CD1 3.27Å; L962-L966 VanDerWaalsContact O-CG 3.22Å; L962-L966 WeakPolarHBondContact O-CG 3.49Å; L962-L966 PolarHBondContact O-N 2.98Å; A963-L966 PolarHBondContact O-N 3.11Å; L966-K968 VanDerWaalsContact C-N 3.35Å; L966-K968 PolarHBondContact O-N 3.13Å; L966-V969 PolarHBondContact O-N 3.15Å; L966-I970 WeakPolarHBondContact O-CB 3.5Å; L966-I970 WeakPolarHBondContact O-CD1 3.38Å; L966-I970 VanDerWaalsContact O-CG1 3.24Å; L966-I970 WeakPolarHBondContact O-CG1 3.43Å; L966-I970 PolarHBondContact O-N 2.95Å
967I65.9Low62.3Low14 Ų1448.5 Ų48.57%0.07226%0.264CS..Hα-helixtrans-57.8-48.8172.6-65.1157.6000110F901 A963 I964 F965 V969 I970 Y971 T976 I979F901-I967 HydrophobicContact CD2-CD1 4.26Å; F901-I967 HydrophobicContact CD2-CG1 3.9Å; F901-I967 HydrophobicContact CE2-CG1 3.89Å; A963-I967 WeakPolarHBondContact O-CD1 3.25Å; A963-I967 VanDerWaalsContact O-CG1 3.28Å; A963-I967 WeakPolarHBondContact O-CG1 3.43Å; A963-I967 PolarHBondContact O-N 3Å; I964-I967 PolarHBondContact O-N 3.34Å; F965-I967 PolarHBondContact O-N 3.41Å; I967-V969 VanDerWaalsContact C-N 3.27Å; I967-V969 PolarHBondContact O-N 2.93Å; I967-I970 PolarHBondContact O-N 3.03Å; I967-Y971 HydrophobicContact CG2-CD2 4.23Å; I967-Y971 PolarHBondContact O-N 3.19Å; I967-T976 HydrophobicContact CB-CG2 4.27Å; I967-T976 HydrophobicContact CG2-CG2 3.65Å; I967-I979 HydrophobicContact CD1-CB 4.41Å; I967-I979 HydrophobicContact CD1-CG2 3.58Å; I967-I979 HydrophobicContact CG1-CG2 4.43Å; I967-I979 HydrophobicContact CG2-CB 4.3Å; I967-I979 HydrophobicContact CG2-CD1 3.73Å
968K62.8Low60.6Low68 Ų6846.3 Ų46.330%0.29625%0.254SS..Hα-helixtrans-61.3-32.8178.1-71.3178.4-176177.70113.4E812 I964 F965 L966 G972 T976E812-K968 VanDerWaalsContact OE1-CD 3.31Å; E812-K968 WeakPolarHBondContact OE1-CD 3.36Å; E812-K968 WeakPolarHBondContact OE1-CE 3.4Å; E812-K968 IonicContact OE1-NZ 3.57Å; E812-K968 PolarHBondContact OE1-NZ 3.12Å; I964-K968 HydrophobicContact CG2-CD 4.37Å; I964-K968 WeakPolarHBondContact O-CG 3.32Å; I964-K968 PolarHBondContact O-N 3.1Å; I964-K968 VanDerWaalsContact O-N 3.13Å; F965-K968 PolarHBondContact O-N 2.73Å; L966-K968 VanDerWaalsContact C-N 3.35Å; L966-K968 PolarHBondContact O-N 3.13Å; K968-G972 VanDerWaalsContact O-CA 3.32Å; K968-G972 WeakPolarHBondContact O-CA 3.14Å; K968-G972 PolarHBondContact O-N 2.83Å; K968-T976 WeakPolarHBondContact CA-OG1 3.36Å; K968-T976 HydrophobicContact CD-CG2 4.21Å; K968-T976 VanDerWaalsContact CE-CG2 3.5Å; K968-T976 HydrophobicContact CG-CG2 3.47Å; K968-T976 VanDerWaalsContact CG-CG2 3.47Å; K968-T976 WeakPolarHBondContact CG-OG1 3.31Å
969V66.5Low58.8Low81 Ų8146.1 Ų46.149%0.49125%0.253SS..Hα-helixtrans-76.2-36.9177.3169.40000112.3F965 L966 I967F965-V969 HydrophobicContact CD1-CG2 4.3Å; F965-V969 HydrophobicContact CD2-CG2 4.45Å; F965-V969 HydrophobicContact CE1-CG2 3.74Å; F965-V969 HydrophobicContact CE2-CG2 3.92Å; F965-V969 HydrophobicContact CZ-CG2 3.53Å; F965-V969 WeakPolarHBondContact O-CG2 3.11Å; F965-V969 PolarHBondContact O-N 3.06Å; L966-V969 PolarHBondContact O-N 3.15Å; I967-V969 VanDerWaalsContact C-N 3.27Å; I967-V969 PolarHBondContact O-N 2.93Å
970I64.1Low56.8Low83 Ų8349.6 Ų49.643%0.42627%0.269SS..Hα-helixtrans-83.5-44.6-174.7-63.6164.5000111.8F901 V905 L966 I967F901-I970 HydrophobicContact CZ-CD1 4.28Å; V905-I970 HydrophobicContact CG1-CD1 4.01Å; V905-I970 HydrophobicContact CG2-CD1 4.14Å; L966-I970 WeakPolarHBondContact O-CB 3.5Å; L966-I970 WeakPolarHBondContact O-CD1 3.38Å; L966-I970 VanDerWaalsContact O-CG1 3.24Å; L966-I970 WeakPolarHBondContact O-CG1 3.43Å; L966-I970 PolarHBondContact O-N 2.95Å; I967-I970 PolarHBondContact O-N 3.03Å
971Y61.4Low55Low48 Ų4849.1 Ų49.119%0.18826%0.262CS..Hα-helixtrans-109.2-6.4-171.8-55.8-80000114.1V905 L908 I967V905-Y971 HydrophobicContact CG2-CE2 4.2Å; V905-Y971 PolarHBondContact O-OH 3.35Å; L908-Y971 HydrophobicContact CB-CE1 3.97Å; L908-Y971 WeakPolarHBondContact CB-OH 3.36Å; L908-Y971 HydrophobicContact CD1-CE1 4.08Å; L908-Y971 HydrophobicContact CD1-CE2 4.16Å; I967-Y971 HydrophobicContact CG2-CD2 4.23Å; I967-Y971 PolarHBondContact O-N 3.19Å
972G51.1Low53.7Low31 Ų3153.8 Ų53.832%0.3228%0.282SS..  trans69.8178.4-172.700000113K968 T976K968-G972 VanDerWaalsContact O-CA 3.32Å; K968-G972 WeakPolarHBondContact O-CA 3.14Å; K968-G972 PolarHBondContact O-N 2.83Å; G972-T976 PolarHBondContact O-N 3.29Å; G972-T976 PolarHBondContact O-OG1 3.18Å
973K45.8Very low51.5Low176 Ų17660.4 Ų60.477%0.76531%0.31SS*.Hα-helixtrans-58.5-56.1-172.1-72.1-172.7175.4-174.40113.2Q975 T976 D977K973-Q975 PolarHBondContact O-N 3.09Å; K973-T976 WeakPolarHBondContact O-CA 3.12Å; K973-T976 VanDerWaalsContact O-CB 3.27Å; K973-T976 WeakPolarHBondContact O-CB 3.45Å; K973-T976 PolarHBondContact O-N 3.48Å; K973-T976 PolarHBondContact O-OG1 2.8Å; K973-D977 VanDerWaalsContact O-OD2 3.08Å
974G43.1Very low49.2Very low42 Ų4262 Ų6243%0.43333%0.327SS..Hα-helixtrans-70.50.4-167.100000118K1249G974-K1249 PolarHBondContact O-NZ 3.16Å; G974-K1249 VanDerWaalsContact O-NZ 3.07Å
975Q40.3Very low47.2Very low105 Ų10568.7 Ų68.749%0.49135%0.35SS..Hα-helixtrans-114.2-10163.6-84.5-168.3-14.400112.8K973 D977K973-Q975 PolarHBondContact O-N 3.09Å; Q975-D977 VanDerWaalsContact C-N 3.29Å
976T39.8Very low45.1Very low0 Ų075 Ų750%038%0.378CS..Hα-helixtrans-68.9-34.2171.6-47.90000110.5I967 K968 G972 K973 I979 Q980I967-T976 HydrophobicContact CB-CG2 4.27Å; I967-T976 HydrophobicContact CG2-CG2 3.65Å; K968-T976 WeakPolarHBondContact CA-OG1 3.36Å; K968-T976 HydrophobicContact CD-CG2 4.21Å; K968-T976 VanDerWaalsContact CE-CG2 3.5Å; K968-T976 HydrophobicContact CG-CG2 3.47Å; K968-T976 VanDerWaalsContact CG-CG2 3.47Å; K968-T976 WeakPolarHBondContact CG-OG1 3.31Å; G972-T976 PolarHBondContact O-N 3.29Å; G972-T976 PolarHBondContact O-OG1 3.18Å; K973-T976 WeakPolarHBondContact O-CA 3.12Å; K973-T976 VanDerWaalsContact O-CB 3.27Å; K973-T976 WeakPolarHBondContact O-CB 3.45Å; K973-T976 PolarHBondContact O-N 3.48Å; K973-T976 PolarHBondContact O-OG1 2.8Å; T976-I979 CarbonylContact O-C 3.57Å; T976-I979 PolarHBondContact O-N 3.11Å; T976-Q980 HydrophobicContact CG2-CG 4.07Å; T976-Q980 PolarHBondContact O-N 3.19Å
977D37.4Very low43Very low72 Ų7275 Ų7539%0.38538%0.378SS..Hα-helixtrans-60.3-49.8-178.7-51.5-54.6000110.5K973 Q975 I979 Q980 Q981K973-D977 VanDerWaalsContact O-OD2 3.08Å; Q975-D977 VanDerWaalsContact C-N 3.29Å; D977-I979 PolarHBondContact O-N 3.37Å; D977-Q980 CarbonylContact O-C 3.57Å; D977-Q980 PolarHBondContact O-N 2.84Å; D977-Q981 VanDerWaalsContact C-OE1 3.27Å; D977-Q981 WeakPolarHBondContact O-CB 3.43Å; D977-Q981 WeakPolarHBondContact O-CG 3.24Å; D977-Q981 PolarHBondContact O-N 2.63Å; D977-Q981 PolarHBondContact O-OE1 3.4Å
978T37.6Very low41.4Very low31 Ų3174.4 Ų74.419%0.1938%0.375CS..Hα-helixtrans-45-36168.5-650000114.5E1246T978-E1246 WeakPolarHBondContact CB-OE1 3.3Å; T978-E1246 WeakPolarHBondContact CG2-OE1 3.16Å; T978-E1246 PolarHBondContact OG1-OE1 2.86Å
979I38.6Very low40.4Very low15 Ų1571.8 Ų71.88%0.07737%0.365CS..Hα-helixtrans-93.5-31-178-58.1167.7000111.2L908 I967 T976 D977 Q981 Q982L908-I979 HydrophobicContact CD1-CD1 4.05Å; I967-I979 HydrophobicContact CD1-CB 4.41Å; I967-I979 HydrophobicContact CD1-CG2 3.58Å; I967-I979 HydrophobicContact CG1-CG2 4.43Å; I967-I979 HydrophobicContact CG2-CB 4.3Å; I967-I979 HydrophobicContact CG2-CD1 3.73Å; T976-I979 CarbonylContact O-C 3.57Å; T976-I979 PolarHBondContact O-N 3.11Å; D977-I979 PolarHBondContact O-N 3.37Å; I979-Q981 VanDerWaalsContact C-N 3.31Å; I979-Q982 WeakPolarHBondContact O-CB 3.39Å; I979-Q982 PolarHBondContact O-N 2.74Å
980Q37.8Very low39Very low77 Ų7769 Ų6936%0.3635%0.352SS..Hα-helixtrans-66.1-32.9169.7-78.9-171.3-148.200111.7T976 D977 Q982 F983 G984T976-Q980 HydrophobicContact CG2-CG 4.07Å; T976-Q980 PolarHBondContact O-N 3.19Å; D977-Q980 CarbonylContact O-C 3.57Å; D977-Q980 PolarHBondContact O-N 2.84Å; Q980-Q982 PolarHBondContact O-N 2.77Å; Q980-F983 CarbonylContact O-C 3.56Å; Q980-F983 WeakPolarHBondContact O-CA 3.34Å; Q980-F983 PolarHBondContact O-N 2.99Å; Q980-G984 PolarHBondContact O-N 2.81Å
981Q38.6Very low38.5Very low40 Ų4065.4 Ų65.419%0.18733%0.334CS..G310 helixtrans-67.8-17.2175.3-70.9145.72.700113.2D977 I979 F983 D1242D977-Q981 VanDerWaalsContact C-OE1 3.27Å; D977-Q981 WeakPolarHBondContact O-CB 3.43Å; D977-Q981 WeakPolarHBondContact O-CG 3.24Å; D977-Q981 PolarHBondContact O-N 2.63Å; D977-Q981 PolarHBondContact O-OE1 3.4Å; I979-Q981 VanDerWaalsContact C-N 3.31Å; Q981-F983 PolarHBondContact O-N 3.07Å; Q981-D1242 WeakPolarHBondContact CG-OD2 3.4Å; Q981-D1242 PolarHBondContact NE2-OD1 2.97Å; Q981-D1242 PolarHBondContact NE2-OD2 3.23Å
982Q38.2Very low39.4Very low122 Ų12263.4 Ų63.457%0.5733%0.327SS*.G310 helixtrans-71.5-11.1166.8-59.3-169.81.400113.1I979 Q980I979-Q982 WeakPolarHBondContact O-CB 3.39Å; I979-Q982 PolarHBondContact O-N 2.74Å; Q980-Q982 PolarHBondContact O-N 2.77Å
983F31.8Very low41.1Very low161 Ų16162 Ų6271%0.70631%0.311SS*.G310 helixtrans-122.66.7-178.1-68.9-86.1000114Q980 Q981Q980-F983 CarbonylContact O-C 3.56Å; Q980-F983 WeakPolarHBondContact O-CA 3.34Å; Q980-F983 PolarHBondContact O-N 2.99Å; Q981-F983 PolarHBondContact O-N 3.07Å
984G26.1Very low43.2Very low42 Ų4253.7 Ų53.743%0.43328%0.275SS..  trans-134.2154.6-176.400000113.8Q980Q980-G984 PolarHBondContact O-N 2.81Å
985Y25.2Very low45.4Very low199 Ų19951.9 Ų51.978%0.7826%0.257SS*.  trans-123.2128.5175.4-69.6-94.2000109.2
986F24.3Very low47.8Very low138 Ų13851 Ų5161%0.60525%0.253SS*.  trans-163.3164.4173.7-75-70.5000108.2S1236 M1238 E1282F986-S1236 PolarHBondContact O-OG 3.06Å; F986-M1238 HydrophobicContact CB-CB 4.16Å; F986-M1238 HydrophobicContact CB-CE 3.98Å; F986-M1238 HydrophobicContact CB-CG 3.56Å; F986-M1238 HydrophobicContact CB-SD 4.05Å; F986-M1238 WeakPolarHBondContact O-CB 3.45Å; F986-M1238 VanDerWaalsContact O-CG 3.3Å; F986-M1238 WeakPolarHBondContact O-CG 3.41Å; F986-M1238 PolarHBondContact O-N 2.94Å; F986-E1282 WeakPolarHBondContact CB-OE1 3.21Å; F986-E1282 WeakPolarHBondContact CD1-OE1 3.1Å
987D26.2Very low50.2Low31 Ų3151 Ų5117%0.16625%0.253CS..  trans-137.4118.8-167.1-65.4-43.2000118.8S1236 N1237 M1238 E1282D987-S1236 WeakPolarHBondContact OD1-CB 3.36Å; D987-S1236 PolarHBondContact OD1-OG 3.26Å; D987-N1237 HydrophobicContact CB-CB 3.58Å; D987-N1237 PolarHBondContact OD1-N 2.8Å; D987-M1238 VanDerWaalsContact CA-N 3.34Å; D987-E1282 PolarHBondContact N-OE1 3.24Å; D987-E1282 WeakPolarHBondContact O-CB 3.43Å
988F32.5Very low52.5Low0 Ų051.6 Ų51.60%026%0.261CS..  trans-103.3-170.2176.3-108.3-112.3000116.8N1237 M1238 V1241 L1260 E1282 F1283 R1286 I1290F988-N1237 VanDerWaalsContact CB-O 3.22Å; F988-N1237 WeakPolarHBondContact CB-O 3.36Å; F988-N1237 VanDerWaalsContact N-CB 3.33Å; F988-N1237 PolarHBondContact N-O 3.17Å; F988-N1237 WeakPolarHBondContact O-CB 3.29Å; F988-N1237 PolarHBondContact O-ND2 2.82Å; F988-M1238 HydrophobicContact CB-CG 4.33Å; F988-M1238 HydrophobicContact CD2-CE 3.36Å; F988-M1238 HydrophobicContact CD2-CG 3.6Å; F988-M1238 HydrophobicContact CD2-SD 3.23Å; F988-M1238 WeakPolarHBondContact CD2-SD 3.44Å; F988-M1238 HydrophobicContact CE2-CE 3.37Å; F988-M1238 HydrophobicContact CE2-CG 4.4Å; F988-M1238 HydrophobicContact CE2-SD 3.44Å; F988-M1238 WeakPolarHBondContact CE2-SD 3.4Å; F988-M1238 HydrophobicContact CG-CG 4.41Å; F988-M1238 HydrophobicContact CG-SD 4.37Å; F988-M1238 VanDerWaalsContact N-N 3.16Å; F988-V1241 HydrophobicContact CB-CB 3.8Å; F988-V1241 HydrophobicContact CB-CG2 4.16Å; F988-V1241 HydrophobicContact CD1-CB 3.42Å; F988-V1241 VanDerWaalsContact CD1-CB 3.42Å; F988-V1241 HydrophobicContact CD1-CG1 3.46Å; F988-V1241 VanDerWaalsContact CD1-CG1 3.46Å; F988-V1241 HydrophobicContact CD1-CG2 3.39Å; F988-V1241 HydrophobicContact CE1-CB 4.23Å; F988-V1241 HydrophobicContact CE1-CG1 3.75Å; F988-V1241 HydrophobicContact CE1-CG2 4.21Å; F988-V1241 HydrophobicContact CG-CB 3.69Å; F988-V1241 HydrophobicContact CG-CG1 3.92Å; F988-V1241 HydrophobicContact CG-CG2 4.06Å; F988-V1241 HydrophobicContact CZ-CG1 4.49Å; F988-L1260 HydrophobicContact CB-CD1 3.96Å; F988-E1282 WeakPolarHBondContact CE2-O 3.49Å; F988-E1282 WeakPolarHBondContact CZ-O 3.4Å; F988-F1283 HydrophobicContact CD1-CB 4.39Å; F988-F1283 AromaticContact CD1-CD2 3.67Å; F988-F1283 HydrophobicContact CD1-CD2 3.67Å; F988-F1283 HydrophobicContact CD1-CE2 4.43Å; F988-F1283 HydrophobicContact CD1-CG 4.43Å; F988-F1283 HydrophobicContact CE1-CB 4.49Å; F988-F1283 AromaticContact CE1-CD2 3.51Å; F988-F1283 HydrophobicContact CE1-CD2 3.51Å; F988-F1283 HydrophobicContact CE1-CE2 4.26Å; F988-F1283 HydrophobicContact CE1-CG 4.45Å; F988-F1283 VanDerWaalsContact CE1-O 3.28Å; F988-F1283 WeakPolarHBondContact CE1-O 3.37Å; F988-F1283 HydrophobicContact CZ-CD2 4.26Å; F988-F1283 WeakPolarHBondContact CZ-O 3.3Å; F988-R1286 HydrophobicContact CE1-CB 3.99Å; F988-R1286 HydrophobicContact CE2-CB 3.96Å; F988-R1286 VanDerWaalsContact CE2-CD 3.49Å; F988-R1286 HydrophobicContact CE2-CG 3.75Å; F988-R1286 HydrophobicContact CZ-CB 3.22Å; F988-R1286 HydrophobicContact CZ-CG 3.55Å; F988-I1290 HydrophobicContact CE1-CD1 4.18Å
989P42.1Very low55Low13 Ų1351.4 Ų51.48%0.08426%0.259CS..  trans-114.7166.3-151.246.6-47.6000122.3L1260 F1263 F1283P989-L1260 HydrophobicContact CG-CD1 4.46Å; P989-L1260 WeakPolarHBondContact O-CB 3.21Å; P989-L1260 VanDerWaalsContact O-CD1 3.25Å; P989-L1260 WeakPolarHBondContact O-CD1 3.25Å; P989-L1260 WeakPolarHBondContact O-CG 3.09Å; P989-F1263 VanDerWaalsContact CA-CE2 3.4Å; P989-F1263 HydrophobicContact CB-CD2 4.37Å; P989-F1263 HydrophobicContact CB-CE2 3.55Å; P989-F1263 HydrophobicContact CB-CZ 4.38Å; P989-F1283 HydrophobicContact CB-CB 3.86Å; P989-F1283 HydrophobicContact CB-CD1 3.27Å; P989-F1283 HydrophobicContact CB-CD2 4.02Å; P989-F1283 HydrophobicContact CB-CE1 3.64Å; P989-F1283 HydrophobicContact CB-CE2 4.36Å; P989-F1283 HydrophobicContact CB-CG 3.46Å; P989-F1283 VanDerWaalsContact CB-CG 3.46Å; P989-F1283 HydrophobicContact CB-CZ 4.16Å; P989-F1283 HydrophobicContact CG-CB 4.06Å; P989-F1283 HydrophobicContact CG-CD1 3.51Å; P989-F1283 HydrophobicContact CG-CD2 3.36Å; P989-F1283 HydrophobicContact CG-CE1 3.59Å; P989-F1283 HydrophobicContact CG-CE2 3.49Å; P989-F1283 VanDerWaalsContact CG-CE2 3.49Å; P989-F1283 HydrophobicContact CG-CG 3.37Å; P989-F1283 HydrophobicContact CG-CZ 3.57Å
990G36.1Very low57.2Low22 Ų2250.7 Ų50.723%0.22726%0.255CS..  -109.6167.3120.900000109F1263G990-F1263 WeakPolarHBondContact O-CD2 3.38Å; G990-F1263 WeakPolarHBondContact O-CE2 3.46Å
991L55.3Low59.4Low8 Ų855 Ų554%0.04228%0.275CS..  trans-72.7176.5160.4-74.8170.6000109L1025 L1030 F1283 I1302 T1303 A1304 P1323 L1325L991-L1025 HydrophobicContact CD2-CD1 4.22Å; L991-L1025 HydrophobicContact CD2-CD2 4.4Å; L991-L1030 HydrophobicContact CD1-CD1 4.38Å; L991-F1283 HydrophobicContact CD2-CE1 4.12Å; L991-F1283 HydrophobicContact CG-CE1 4.44Å; L991-I1302 HydrophobicContact CD1-CB 3.98Å; L991-I1302 HydrophobicContact CD1-CG2 3.62Å; L991-I1302 HydrophobicContact CG-CG2 3.71Å; L991-T1303 PolarHBondContact N-O 2.94Å; L991-A1304 VanDerWaalsContact O-CA 3.3Å; L991-A1304 WeakPolarHBondContact O-CA 3.13Å; L991-A1304 WeakPolarHBondContact O-CB 3.42Å; L991-P1323 HydrophobicContact CB-CG 3.75Å; L991-P1323 HydrophobicContact CD1-CB 4.37Å; L991-P1323 HydrophobicContact CD1-CG 3.94Å; L991-P1323 HydrophobicContact CG-CG 4.34Å; L991-L1325 HydrophobicContact CD1-CD1 3.97Å; L991-L1325 HydrophobicContact CD1-CG 4.07Å
992I79.9Confident61.4Low7 Ų760.7 Ų60.74%0.03630%0.299CS..  trans-138.7165.9-173.965.8-162000110.7T1010 L1011 I1014 F1263 Y1276 I1280 A1304 P1323I992-T1010 HydrophobicContact CB-CG2 3.88Å; I992-T1010 HydrophobicContact CD1-CG2 3.62Å; I992-T1010 HydrophobicContact CG1-CG2 3.68Å; I992-L1011 HydrophobicContact CD1-CG 4.2Å; I992-L1011 HydrophobicContact CG1-CD1 4.17Å; I992-L1011 HydrophobicContact CG1-CG 3.76Å; I992-I1014 HydrophobicContact CD1-CD1 3.68Å; I992-F1263 HydrophobicContact CG2-CB 4.5Å; I992-F1263 HydrophobicContact CG2-CD2 4.32Å; I992-F1263 HydrophobicContact CG2-CG 4.47Å; I992-Y1276 HydrophobicContact CD1-CD2 4.03Å; I992-Y1276 HydrophobicContact CD1-CE2 3.7Å; I992-Y1276 HydrophobicContact CG2-CE2 3.69Å; I992-Y1276 WeakPolarHBondContact CG2-OH 3.09Å; I992-I1280 HydrophobicContact CD1-CD1 3.47Å; I992-I1280 VanDerWaalsContact CD1-CD1 3.47Å; I992-I1280 HydrophobicContact CD1-CG1 4.17Å; I992-A1304 VanDerWaalsContact CA-CB 3.47Å; I992-P1323 WeakPolarHBondContact O-CD 3.35Å; I992-P1323 WeakPolarHBondContact O-CG 3.48Å
993G86.2Confident63.4Low0 Ų057.4 Ų57.40%028%0.283CS..  trans-45.1144.4-179.600000114.8T1010 L1011 H1306 E1320 Y1321G993-T1010 WeakPolarHBondContact O-CB 3.32Å; G993-L1011 WeakPolarHBondContact O-CB 2.97Å; G993-L1011 PolarHBondContact O-N 3.35Å; G993-H1306 PolarHBondContact N-O 2.87Å; G993-E1320 VanDerWaalsContact CA-OE2 3.31Å; G993-E1320 WeakPolarHBondContact CA-OE2 3.39Å; G993-Y1321 CarbonylContact C-O 3.57Å; G993-Y1321 WeakPolarHBondContact CA-O 3.41Å
994I91.1Very high65.7Low2 Ų252.2 Ų52.21%0.0128%0.275CS..  trans-127.731.3-173.7-165.8157.6000111.9L1011 L1030 I1033 R1034 L1036 K1051 E1320 Y1321 P1323I994-L1011 HydrophobicContact CB-CD1 4.35Å; I994-L1011 HydrophobicContact CD1-CD1 4.09Å; I994-L1011 HydrophobicContact CG1-CB 4.4Å; I994-L1011 HydrophobicContact CG1-CD1 4.38Å; I994-L1030 HydrophobicContact CD1-CD1 4.35Å; I994-I1033 HydrophobicContact CD1-CB 4.14Å; I994-I1033 HydrophobicContact CD1-CD1 3.98Å; I994-I1033 HydrophobicContact CD1-CG2 4.02Å; I994-R1034 HydrophobicContact CD1-CG 4.17Å; I994-R1034 HydrophobicContact CG1-CG 3.88Å; I994-R1034 WeakPolarHBondContact O-CD 3.38Å; I994-R1034 PolarHBondContact O-NH1 2.95Å; I994-L1036 HydrophobicContact CD1-CD1 4.15Å; I994-K1051 HydrophobicContact CG2-CB 4.05Å; I994-E1320 PolarHBondContact N-OE2 3.42Å; I994-Y1321 WeakPolarHBondContact CG2-O 3.31Å; I994-Y1321 PolarHBondContact N-O 3.02Å; I994-P1323 HydrophobicContact CB-CB 4.4Å; I994-P1323 HydrophobicContact CB-CG 4.44Å; I994-P1323 HydrophobicContact CD1-CB 3.92Å; I994-P1323 HydrophobicContact CG2-CB 4.13Å; I994-P1323 HydrophobicContact CG2-CG 4.43Å
995G88.7Confident68.6Low5 Ų550.7 Ų50.75%0.05226%0.257CS..SBendtrans116154.8171.800000115.4A997 S1008 D1009 E1320 Y1321G995-A997 PolarHBondContact O-N 1.97Å; G995-S1008 CarbonylContact C-O 3.54Å; G995-S1008 WeakPolarHBondContact CA-O 3.47Å; G995-D1009 WeakPolarHBondContact CA-OD1 3.45Å; G995-D1009 PolarHBondContact N-OD1 3.15Å; G995-E1320 PolarHBondContact N-OE2 2.87Å; G995-E1320 WeakPolarHBondContact O-CA 3.37Å; G995-Y1321 WeakPolarHBondContact O-CD2 3.46Å; G995-Y1321 PolarHBondContact O-N 3.46Å
996E91Very high71.6Confident85 Ų8545 Ų4540%0.39724%0.243SC..BIsolated β-bridgetrans-35.5120.7-177.1-170.2-173.6148.100114.8A1000 G1007 S1008 Y1321E996-A1000 HydrophobicContact CG-CB 3.63Å; E996-G1007 WeakPolarHBondContact OE2-CA 3.13Å; E996-G1007 PolarHBondContact OE2-N 3.32Å; E996-S1008 PolarHBondContact N-O 2.83Å; E996-Y1321 WeakPolarHBondContact O-CD2 3.48Å; E996-Y1321 WeakPolarHBondContact O-CE2 3.33Å
997A89.5Confident74.5Confident1 Ų140 Ų401%0.00823%0.231CC..  trans-77.7157170.700000111.5G995 D999 A1000 R1319G995-A997 PolarHBondContact O-N 1.97Å; A997-D999 PolarHBondContact O-N 2.89Å; A997-A1000 WeakPolarHBondContact O-CB 3.15Å; A997-A1000 PolarHBondContact O-N 2.83Å; A997-R1319 HydrophobicContact CB-CG 4.22Å; A997-R1319 PolarHBondContact N-O 3.47Å
998P86.4Confident77.5Confident84 Ų8438.6 Ų38.655%0.54522%0.223SC..THydrogen-bonded Turntrans-64-10.5-171.2-24.437.6000115.5E1053 Y1321P998-E1053 WeakPolarHBondContact CG-OE2 3.47Å; P998-Y1321 VanDerWaalsContact CD-OH 3.3Å; P998-Y1321 WeakPolarHBondContact CD-OH 3.24Å; P998-Y1321 HydrophobicContact CG-CE2 4.31Å; P998-Y1321 WeakPolarHBondContact CG-OH 3.45Å
999D88.3Confident80.3Confident28 Ų2839.5 Ų39.515%0.1523%0.228CC..THydrogen-bonded Turntrans-120.917.1177.678.6-21000114.9A997 E1001 K1002 R1319A997-D999 PolarHBondContact O-N 2.89Å; D999-E1001 PolarHBondContact O-N 3.45Å; D999-E1001 VanDerWaalsContact O-N 3.09Å; D999-K1002 HydrophobicContact CB-CD 3.82Å; D999-K1002 HydrophobicContact CB-CG 4.17Å; D999-K1002 VanDerWaalsContact O-CB 3.3Å; D999-K1002 WeakPolarHBondContact O-CB 3.03Å; D999-K1002 WeakPolarHBondContact O-CG 3.48Å; D999-K1002 PolarHBondContact O-N 3.34Å; D999-K1002 IonicContact OD2-NZ 2.77Å; D999-K1002 PolarHBondContact OD2-NZ 2.82Å; D999-R1319 IonicContact OD1-CZ 3.92Å; D999-R1319 IonicContact OD1-NE 2.74Å; D999-R1319 PolarHBondContact OD1-NE 2.94Å; D999-R1319 IonicContact OD1-NH2 3.91Å; D999-R1319 PolarHBondContact OD1-NH2 3.1Å; D999-R1319 IonicContact OD2-CZ 2.7Å; D999-R1319 IonicContact OD2-NE 3.81Å; D999-R1319 IonicContact OD2-NH2 3.68Å; D999-R1319 PolarHBondContact OD2-NH2 2.93Å
1000A85.7Confident82.7Confident0 Ų038.9 Ų38.90%022%0.224CC..Hα-helixtrans-55.3-27.9175.800000113.1E996 A997 K1002 F1003 G1004 D1005 R1319E996-A1000 HydrophobicContact CG-CB 3.63Å; A997-A1000 WeakPolarHBondContact O-CB 3.15Å; A997-A1000 PolarHBondContact O-N 2.83Å; A1000-K1002 PolarHBondContact O-N 2.89Å; A1000-F1003 CarbonylContact O-C 3.6Å; A1000-F1003 PolarHBondContact O-N 2.79Å; A1000-G1004 PolarHBondContact O-N 3.21Å; A1000-D1005 HydrophobicContact CB-CB 4.23Å; A1000-D1005 PolarHBondContact O-N 3.36Å; A1000-R1319 HydrophobicContact CB-CB 4.31Å; A1000-R1319 HydrophobicContact CB-CG 4.41Å; A1000-R1319 WeakPolarHBondContact CB-O 3.43Å
1001E83.7Confident85.4Confident167 Ų16737.9 Ų37.978%0.7821%0.213SC*.Hα-helixtrans-53.8-36.2170.8-172.3-178.9-15700112.9D999 F1003 G1004 V1006D999-E1001 PolarHBondContact O-N 3.45Å; D999-E1001 VanDerWaalsContact O-N 3.09Å; E1001-F1003 VanDerWaalsContact C-N 3.26Å; E1001-F1003 PolarHBondContact O-N 3.23Å; E1001-G1004 PolarHBondContact O-N 3.06Å; E1001-V1006 HydrophobicContact CB-CG2 3.93Å; E1001-V1006 HydrophobicContact CG-CG2 4.37Å
1002K81.6Confident87Confident160 Ų16037.6 Ų37.670%0.69621%0.213SC*.Hα-helixtrans-66.5-28.3177.6-57.9177.6-168.1152.90112.7D999 A1000D999-K1002 HydrophobicContact CB-CD 3.82Å; D999-K1002 HydrophobicContact CB-CG 4.17Å; D999-K1002 VanDerWaalsContact O-CB 3.3Å; D999-K1002 WeakPolarHBondContact O-CB 3.03Å; D999-K1002 WeakPolarHBondContact O-CG 3.48Å; D999-K1002 PolarHBondContact O-N 3.34Å; D999-K1002 IonicContact OD2-NZ 2.77Å; D999-K1002 PolarHBondContact OD2-NZ 2.82Å; A1000-K1002 PolarHBondContact O-N 2.89Å
1003F80.5Confident87.6Confident53 Ų5339.9 Ų39.923%0.23222%0.223CC..Hα-helixtrans-99.8-11.4-176.6-64.1-94.2000112.7A1000 E1001 D1005 G1058 K1059 R1319A1000-F1003 CarbonylContact O-C 3.6Å; A1000-F1003 PolarHBondContact O-N 2.79Å; E1001-F1003 VanDerWaalsContact C-N 3.26Å; E1001-F1003 PolarHBondContact O-N 3.23Å; F1003-D1005 WeakPolarHBondContact CB-OD2 3.3Å; F1003-G1058 VanDerWaalsContact CE1-O 3.25Å; F1003-G1058 WeakPolarHBondContact CE1-O 3.23Å; F1003-G1058 VanDerWaalsContact CZ-O 3.23Å; F1003-G1058 WeakPolarHBondContact CZ-O 3.44Å; F1003-K1059 HydrophobicContact CB-CD 4.36Å; F1003-K1059 HydrophobicContact CD1-CB 4.46Å; F1003-K1059 HydrophobicContact CD1-CD 3.94Å; F1003-K1059 HydrophobicContact CD1-CG 4.08Å; F1003-K1059 HydrophobicContact CE1-CB 4.45Å; F1003-K1059 HydrophobicContact CE1-CG 4.37Å; F1003-K1059 HydrophobicContact CG-CD 4.42Å; F1003-R1319 HydrophobicContact CB-CB 4.01Å; F1003-R1319 HydrophobicContact CD2-CB 3.93Å; F1003-R1319 HydrophobicContact CD2-CG 3.53Å; F1003-R1319 HydrophobicContact CE2-CG 3.84Å; F1003-R1319 HydrophobicContact CG-CB 3.99Å; F1003-R1319 HydrophobicContact CG-CG 4.11Å
1004G79.9Confident87.8Confident52 Ų5239.9 Ų39.954%0.53622%0.223SC..THydrogen-bonded Turntrans87.83.4-175.100000114.4A1000 E1001 V1006A1000-G1004 PolarHBondContact O-N 3.21Å; E1001-G1004 PolarHBondContact O-N 3.06Å; G1004-V1006 VanDerWaalsContact C-N 3.32Å; G1004-V1006 PolarHBondContact O-N 2.72Å
1005D87.1Confident87.7Confident10 Ų1039.9 Ų39.95%0.05322%0.223CC..  trans-9429-168.7-53.7-38.1000113.1A1000 F1003 G1007 S1008 K1059 F1312 T1318 R1319A1000-D1005 HydrophobicContact CB-CB 4.23Å; A1000-D1005 PolarHBondContact O-N 3.36Å; F1003-D1005 WeakPolarHBondContact CB-OD2 3.3Å; D1005-G1007 PolarHBondContact O-N 3.31Å; D1005-S1008 VanDerWaalsContact O-CB 3.25Å; D1005-S1008 WeakPolarHBondContact O-CB 3.27Å; D1005-S1008 PolarHBondContact O-N 3.04Å; D1005-S1008 PolarHBondContact O-OG 3.05Å; D1005-K1059 VanDerWaalsContact CG-NZ 3.25Å; D1005-K1059 IonicContact OD1-NZ 3.93Å; D1005-K1059 PolarHBondContact OD1-NZ 3.06Å; D1005-K1059 VanDerWaalsContact OD2-CD 3.3Å; D1005-K1059 WeakPolarHBondContact OD2-CD 3.21Å; D1005-K1059 IonicContact OD2-NZ 3.13Å; D1005-K1059 PolarHBondContact OD2-NZ 2.72Å; D1005-F1312 HydrophobicContact CB-CE1 4.46Å; D1005-T1318 HydrophobicContact CB-CG2 4.45Å; D1005-R1319 HydrophobicContact CB-CB 4.21Å; D1005-R1319 WeakPolarHBondContact OD2-CB 3.5Å; D1005-R1319 PolarHBondContact OD2-N 3.27Å
1006V87.4Confident87.6Confident78 Ų7845.3 Ų45.347%0.47325%0.247SC..THydrogen-bonded Turntrans-61.9127-178.7-177.30000110.2E1001 G1004 F1312E1001-V1006 HydrophobicContact CB-CG2 3.93Å; E1001-V1006 HydrophobicContact CG-CG2 4.37Å; G1004-V1006 VanDerWaalsContact C-N 3.32Å; G1004-V1006 PolarHBondContact O-N 2.72Å; V1006-F1312 WeakPolarHBondContact O-CE2 3.4Å; V1006-F1312 WeakPolarHBondContact O-CZ 3.12Å
1007G86.1Confident87.4Confident35 Ų3547.9 Ų47.936%0.36126%0.259SS..THydrogen-bonded Turntrans79.45.9-173.800000115.4E996 D1005 H1013E996-G1007 WeakPolarHBondContact OE2-CA 3.13Å; E996-G1007 PolarHBondContact OE2-N 3.32Å; D1005-G1007 PolarHBondContact O-N 3.31Å; G1007-H1013 PolarHBondContact O-CE1 2.97Å; G1007-H1013 VanDerWaalsContact O-CE1 3.23Å
1008S89.3Confident87.3Confident0 Ų049.8 Ų49.80%028%0.275CS..  trans-64.5139.4175.355.10000112.1G995 E996 D1005 E1320G995-S1008 CarbonylContact C-O 3.54Å; G995-S1008 WeakPolarHBondContact CA-O 3.47Å; E996-S1008 PolarHBondContact N-O 2.83Å; D1005-S1008 VanDerWaalsContact O-CB 3.25Å; D1005-S1008 WeakPolarHBondContact O-CB 3.27Å; D1005-S1008 PolarHBondContact O-N 3.04Å; D1005-S1008 PolarHBondContact O-OG 3.05Å; S1008-E1320 WeakPolarHBondContact OG-CG 3.17Å
1009D91.1Very high87.1Confident19 Ų1947 Ų4710%0.10226%0.261CS..  trans-162.380.4-173.7-169.92.4000111.9G995 L1011 G1012 H1013 R1034 D1309 E1320G995-D1009 WeakPolarHBondContact CA-OD1 3.45Å; G995-D1009 PolarHBondContact N-OD1 3.15Å; D1009-L1011 PolarHBondContact O-N 3.07Å; D1009-G1012 VanDerWaalsContact CG-CA 3.48Å; D1009-G1012 PolarHBondContact O-N 2.79Å; D1009-G1012 WeakPolarHBondContact OD1-CA 3.21Å; D1009-G1012 PolarHBondContact OD1-N 2.98Å; D1009-H1013 WeakPolarHBondContact O-CB 3.38Å; D1009-H1013 PolarHBondContact O-N 3.46Å; D1009-H1013 PolarHBondContact O-ND1 2.94Å; D1009-R1034 IonicContact OD1-CZ 2.74Å; D1009-R1034 IonicContact OD1-NH1 2.72Å; D1009-R1034 PolarHBondContact OD1-NH1 3.05Å; D1009-R1034 IonicContact OD1-NH2 3.58Å; D1009-R1034 IonicContact OD2-CZ 3.63Å; D1009-R1034 IonicContact OD2-NH1 3.33Å; D1009-R1034 PolarHBondContact OD2-NH1 3.47Å; D1009-R1034 IonicContact OD2-NH2 3.75Å; D1009-R1034 PolarHBondContact OD2-NH2 3.12Å; D1009-D1309 PolarHBondContact N-OD2 3.3Å; D1009-E1320 WeakPolarHBondContact CA-OE2 3.27Å
1010T92.2Very high87.1Confident0 Ų046.2 Ų46.20%026%0.257CS..Hα-helixtrans-56.7-58-172.1-54.50000111.7I992 G993 I1014 Y1276 N1308 D1309 E1320I992-T1010 HydrophobicContact CB-CG2 3.88Å; I992-T1010 HydrophobicContact CD1-CG2 3.62Å; I992-T1010 HydrophobicContact CG1-CG2 3.68Å; G993-T1010 WeakPolarHBondContact O-CB 3.32Å; T1010-I1014 HydrophobicContact CG2-CD1 3.79Å; T1010-I1014 WeakPolarHBondContact O-CB 3.43Å; T1010-I1014 VanDerWaalsContact O-CD1 3.25Å; T1010-I1014 WeakPolarHBondContact O-CD1 3.29Å; T1010-I1014 WeakPolarHBondContact O-CG1 3.34Å; T1010-I1014 PolarHBondContact O-N 2.79Å; T1010-I1014 VanDerWaalsContact O-N 3.13Å; T1010-Y1276 HydrophobicContact CG2-CE1 4.23Å; T1010-N1308 PolarHBondContact OG1-N 3.43Å; T1010-D1309 VanDerWaalsContact OG1-CA 3.31Å; T1010-D1309 WeakPolarHBondContact OG1-CA 3.15Å; T1010-D1309 PolarHBondContact OG1-N 3.41Å; T1010-E1320 VanDerWaalsContact N-CD 3.32Å; T1010-E1320 PolarHBondContact N-OE1 3.04Å; T1010-E1320 PolarHBondContact N-OE2 3.04Å; T1010-E1320 PolarHBondContact OG1-OE1 2.88Å
1011L91.4Very high87.3Confident1 Ų151.1 Ų51.11%0.00528%0.283CS..Hα-helixtrans-66.4-37.8178.5-103.9161.5000112.6I992 G993 I994 D1009 A1015 L1020 L1030 L1036 P1323I992-L1011 HydrophobicContact CD1-CG 4.2Å; I992-L1011 HydrophobicContact CG1-CD1 4.17Å; I992-L1011 HydrophobicContact CG1-CG 3.76Å; G993-L1011 WeakPolarHBondContact O-CB 2.97Å; G993-L1011 PolarHBondContact O-N 3.35Å; I994-L1011 HydrophobicContact CB-CD1 4.35Å; I994-L1011 HydrophobicContact CD1-CD1 4.09Å; I994-L1011 HydrophobicContact CG1-CB 4.4Å; I994-L1011 HydrophobicContact CG1-CD1 4.38Å; D1009-L1011 PolarHBondContact O-N 3.07Å; L1011-A1015 WeakPolarHBondContact O-CB 3.3Å; L1011-A1015 PolarHBondContact O-N 2.76Å; L1011-L1020 HydrophobicContact CD2-CD1 3.63Å; L1011-L1030 HydrophobicContact CD1-CD1 4.34Å; L1011-L1030 HydrophobicContact CD1-CD2 4.31Å; L1011-L1030 HydrophobicContact CD2-CD2 4.3Å; L1011-L1036 HydrophobicContact CB-CD1 4.41Å; L1011-L1036 HydrophobicContact CB-CD2 4.37Å; L1011-L1036 HydrophobicContact CD2-CD1 4.43Å; L1011-P1323 HydrophobicContact CD1-CG 4.14Å
1012G89.6Confident87.7Confident3 Ų343.2 Ų43.23%0.03125%0.246CC..Hα-helixtrans-64.4-53.9179.100000112.2D1009 A1015 E1016D1009-G1012 VanDerWaalsContact CG-CA 3.48Å; D1009-G1012 PolarHBondContact O-N 2.79Å; D1009-G1012 WeakPolarHBondContact OD1-CA 3.21Å; D1009-G1012 PolarHBondContact OD1-N 2.98Å; G1012-A1015 CarbonylContact O-C 3.52Å; G1012-A1015 WeakPolarHBondContact O-CB 3.36Å; G1012-A1015 PolarHBondContact O-N 3.33Å; G1012-E1016 WeakPolarHBondContact O-CG 3.29Å; G1012-E1016 PolarHBondContact O-N 3.24Å
1013H91.9Very high88.2Confident55 Ų5537.8 Ų37.826%0.25523%0.228SC..Hα-helixtrans-69-34.9-177.5-66.3148.1000113.2G1007 D1009 E1016 E1017 D1309 T1311G1007-H1013 PolarHBondContact O-CE1 2.97Å; G1007-H1013 VanDerWaalsContact O-CE1 3.23Å; D1009-H1013 WeakPolarHBondContact O-CB 3.38Å; D1009-H1013 PolarHBondContact O-N 3.46Å; D1009-H1013 PolarHBondContact O-ND1 2.94Å; H1013-E1016 PolarHBondContact O-N 3.47Å; H1013-E1017 PolarHBondContact O-N 2.73Å; H1013-D1309 IonicContact CE1-OD2 3.99Å; H1013-D1309 IonicContact CG-OD2 2.64Å; H1013-D1309 IonicContact ND1-OD1 2.57Å; H1013-D1309 IonicContact ND1-OD2 2.8Å; H1013-D1309 PolarHBondContact ND1-OD2 2.69Å; H1013-T1311 HydrophobicContact CB-CG2 3.73Å; H1013-T1311 WeakPolarHBondContact CB-OG1 3.48Å; H1013-T1311 PolarHBondContact ND1-OG1 3.23Å
1014I90.7Very high88.7Confident0 Ų038.2 Ų38.20%023%0.23CC..Hα-helixtrans-60.9-46.7169.7-67.4165.9000110.4I992 T1010 E1016 A1018 G1019 L1020 V1273 Y1276 A1277 I1280 P1310I992-I1014 HydrophobicContact CD1-CD1 3.68Å; T1010-I1014 HydrophobicContact CG2-CD1 3.79Å; T1010-I1014 WeakPolarHBondContact O-CB 3.43Å; T1010-I1014 VanDerWaalsContact O-CD1 3.25Å; T1010-I1014 WeakPolarHBondContact O-CD1 3.29Å; T1010-I1014 WeakPolarHBondContact O-CG1 3.34Å; T1010-I1014 PolarHBondContact O-N 2.79Å; T1010-I1014 VanDerWaalsContact O-N 3.13Å; I1014-E1016 VanDerWaalsContact C-N 3.26Å; I1014-E1016 PolarHBondContact O-N 2.84Å; I1014-A1018 WeakPolarHBondContact O-CB 3.31Å; I1014-A1018 PolarHBondContact O-N 2.78Å; I1014-G1019 PolarHBondContact O-N 2.77Å; I1014-L1020 HydrophobicContact CG2-CD1 4.38Å; I1014-L1020 HydrophobicContact CG2-CD2 3.93Å; I1014-L1020 HydrophobicContact CG2-CG 4.25Å; I1014-V1273 HydrophobicContact CB-CG1 4.47Å; I1014-V1273 HydrophobicContact CG1-CG1 4.08Å; I1014-Y1276 HydrophobicContact CD1-CD1 3.83Å; I1014-Y1276 HydrophobicContact CD1-CD2 3.97Å; I1014-Y1276 HydrophobicContact CD1-CE1 4.4Å; I1014-Y1276 HydrophobicContact CD1-CG 3.6Å; I1014-A1277 HydrophobicContact CG2-CB 3.7Å; I1014-I1280 HydrophobicContact CD1-CD1 4.13Å; I1014-I1280 HydrophobicContact CG2-CD1 4.17Å; I1014-P1310 HydrophobicContact CD1-CG 3.83Å; I1014-P1310 HydrophobicContact CG1-CG 3.5Å; I1014-P1310 VanDerWaalsContact CG1-CG 3.5Å
1015A89.4Confident89.3Confident1 Ų135.7 Ų35.71%0.00821%0.205CC..Hα-helixtrans-64.5-29.617500000112.6L1011 G1012 G1019 L1020 K1037L1011-A1015 WeakPolarHBondContact O-CB 3.3Å; L1011-A1015 PolarHBondContact O-N 2.76Å; G1012-A1015 CarbonylContact O-C 3.52Å; G1012-A1015 WeakPolarHBondContact O-CB 3.36Å; G1012-A1015 PolarHBondContact O-N 3.33Å; A1015-G1019 WeakPolarHBondContact O-CA 3.45Å; A1015-G1019 PolarHBondContact O-N 3.19Å; A1015-L1020 HydrophobicContact CB-CD1 4Å; A1015-L1020 HydrophobicContact CB-CG 4.33Å; A1015-K1037 HydrophobicContact CB-CB 4.47Å
1016E87.8Confident89.5Confident120 Ų12035.6 Ų35.656%0.56120%0.204SC*.Hα-helixtrans-74.7-46177.6-68-131.1155.400113.7G1012 H1013 I1014 K1037G1012-E1016 WeakPolarHBondContact O-CG 3.29Å; G1012-E1016 PolarHBondContact O-N 3.24Å; H1013-E1016 PolarHBondContact O-N 3.47Å; I1014-E1016 VanDerWaalsContact C-N 3.26Å; I1014-E1016 PolarHBondContact O-N 2.84Å; E1016-K1037 HydrophobicContact CB-CD 4.32Å; E1016-K1037 HydrophobicContact CG-CB 4.35Å; E1016-K1037 HydrophobicContact CG-CD 4.27Å; E1016-K1037 PolarHBondContact O-NZ 3.43Å
1017E86.7Confident89.7Confident138 Ų13835 Ų3565%0.64520%0.196SC*.Hα-helixtrans-91.1-48-173.1-177.5169.3-166.200113.2H1013 V1273H1013-E1017 PolarHBondContact O-N 2.73Å; E1017-V1273 HydrophobicContact CB-CG1 4.21Å
1018A85.7Confident89.9Confident41 Ų4133.6 Ų33.634%0.33918%0.18SC..THydrogen-bonded Turntrans-91.5-35.9179.700000112.5I1014 V1273 V1274 A1277I1014-A1018 WeakPolarHBondContact O-CB 3.31Å; I1014-A1018 PolarHBondContact O-N 2.78Å; A1018-V1273 HydrophobicContact CB-CG1 4.39Å; A1018-V1274 HydrophobicContact CB-CG2 4.26Å; A1018-A1277 HydrophobicContact CB-CB 3.58Å
1019G83.9Confident90Very high25 Ų2533.6 Ų33.626%0.25818%0.18SC..  trans83.3160.4-166.700000112.1I1014 A1015I1014-G1019 PolarHBondContact O-N 2.77Å; A1015-G1019 WeakPolarHBondContact O-CA 3.45Å; A1015-G1019 PolarHBondContact O-N 3.19Å
1020L88.3Confident90Very high13 Ų1332.7 Ų32.77%0.06818%0.175CC..  trans-139.7126.5178.8-68.2173.6000110.6L1011 I1014 A1015 I1022 V1039 A1277 I1280L1011-L1020 HydrophobicContact CD2-CD1 3.63Å; I1014-L1020 HydrophobicContact CG2-CD1 4.38Å; I1014-L1020 HydrophobicContact CG2-CD2 3.93Å; I1014-L1020 HydrophobicContact CG2-CG 4.25Å; A1015-L1020 HydrophobicContact CB-CD1 4Å; A1015-L1020 HydrophobicContact CB-CG 4.33Å; L1020-I1022 HydrophobicContact CB-CD1 4.26Å; L1020-I1022 HydrophobicContact CB-CG1 4.16Å; L1020-I1022 HydrophobicContact CB-CG2 4.3Å; L1020-I1022 HydrophobicContact CD1-CD1 4.15Å; L1020-V1039 HydrophobicContact CB-CG2 4.21Å; L1020-A1277 HydrophobicContact CD2-CB 4.04Å; L1020-I1280 HydrophobicContact CD2-CB 4.23Å; L1020-I1280 HydrophobicContact CD2-CD1 4.06Å; L1020-I1280 HydrophobicContact CD2-CG2 4.47Å
1021N89.2Confident89.8Confident103 Ų10332.9 Ų32.955%0.55118%0.177SC*.  trans-107.186.3167.3175.487000109P1023 E1281N1021-P1023 VanDerWaalsContact O-CD 3.29Å; N1021-P1023 WeakPolarHBondContact O-CD 3.13Å; N1021-E1281 WeakPolarHBondContact CB-OE1 3.2Å; N1021-E1281 PolarHBondContact N-OE1 3.42Å
1022I92Very high89.7Confident0 Ų033.8 Ų33.80%018%0.183CC..  trans-122.562.3-172.854.5172.6000112.3L1020 H1024 L1025 E1026 L1030 V1039 I1280 E1281 D1284L1020-I1022 HydrophobicContact CB-CD1 4.26Å; L1020-I1022 HydrophobicContact CB-CG1 4.16Å; L1020-I1022 HydrophobicContact CB-CG2 4.3Å; L1020-I1022 HydrophobicContact CD1-CD1 4.15Å; I1022-H1024 VanDerWaalsContact C-N 3.27Å; I1022-H1024 PolarHBondContact O-N 2.66Å; I1022-L1025 HydrophobicContact CB-CB 4.3Å; I1022-L1025 HydrophobicContact CB-CD1 4.3Å; I1022-L1025 HydrophobicContact CD1-CB 4.3Å; I1022-L1025 HydrophobicContact CD1-CD1 4.31Å; I1022-L1025 PolarHBondContact O-N 3.38Å; I1022-E1026 WeakPolarHBondContact O-CB 3.47Å; I1022-E1026 VanDerWaalsContact O-CG 3.31Å; I1022-E1026 WeakPolarHBondContact O-CG 3.49Å; I1022-E1026 PolarHBondContact O-N 2.9Å; I1022-L1030 HydrophobicContact CD1-CD2 3.58Å; I1022-V1039 HydrophobicContact CD1-CG1 4.24Å; I1022-V1039 HydrophobicContact CD1-CG2 3.92Å; I1022-V1039 HydrophobicContact CG1-CG1 4.31Å; I1022-V1039 HydrophobicContact CG1-CG2 4.08Å; I1022-I1280 HydrophobicContact CG2-CG2 4.05Å; I1022-E1281 HydrophobicContact CG2-CG 4.15Å; I1022-D1284 VanDerWaalsContact C-CG 3.41Å; I1022-D1284 VanDerWaalsContact CA-CG 3.41Å; I1022-D1284 VanDerWaalsContact CA-OD1 3.28Å; I1022-D1284 WeakPolarHBondContact CA-OD1 3.17Å; I1022-D1284 HydrophobicContact CB-CB 4.09Å; I1022-D1284 WeakPolarHBondContact CB-OD1 3.39Å; I1022-D1284 HydrophobicContact CG2-CB 3.96Å; I1022-D1284 VanDerWaalsContact O-OD1 3.13Å
1023P91.2Very high89.7Confident47 Ų4734 Ų3431%0.30518%0.184SC..Hα-helixtrans-62.1-23.4-171.826-37.1000115.6N1021 Q1027 D1284N1021-P1023 VanDerWaalsContact O-CD 3.29Å; N1021-P1023 WeakPolarHBondContact O-CD 3.13Å; P1023-Q1027 WeakPolarHBondContact O-CB 3.18Å; P1023-Q1027 PolarHBondContact O-N 2.92Å; P1023-Q1027 VanDerWaalsContact O-N 3.1Å; P1023-D1284 WeakPolarHBondContact CD-OD2 3.49Å
1024H92.3Very high89.5Confident61 Ų6134.8 Ų34.828%0.28218%0.184SC..Hα-helixtrans-87.9-34-179.4-50.5100.7000111.9I1022 Q1027 L1028 D1284 I1287 P1288I1022-H1024 VanDerWaalsContact C-N 3.27Å; I1022-H1024 PolarHBondContact O-N 2.66Å; H1024-Q1027 CarbonylContact O-C 3.39Å; H1024-Q1027 PolarHBondContact O-N 3.09Å; H1024-L1028 WeakPolarHBondContact O-CG 3.47Å; H1024-L1028 PolarHBondContact O-N 3.31Å; H1024-D1284 WeakPolarHBondContact CA-OD1 3.44Å; H1024-D1284 IonicContact CE1-OD2 2.97Å; H1024-D1284 IonicContact CG-OD2 3.39Å; H1024-D1284 PolarHBondContact N-OD1 3.01Å; H1024-D1284 PolarHBondContact N-OD2 3.4Å; H1024-D1284 PolarHBondContact ND1-O 3.48Å; H1024-D1284 IonicContact ND1-OD2 2.85Å; H1024-D1284 PolarHBondContact ND1-OD2 2.84Å; H1024-I1287 HydrophobicContact CB-CB 3.7Å; H1024-I1287 HydrophobicContact CB-CG1 4.3Å; H1024-I1287 HydrophobicContact CB-CG2 3.55Å; H1024-P1288 VanDerWaalsContact CD2-CG 3.45Å; H1024-P1288 WeakPolarHBondContact CD2-CG 3.41Å; H1024-P1288 WeakPolarHBondContact NE2-CG 3.1Å
1025L92Very high89.2Confident0 Ų040.4 Ų40.40%022%0.221CC..Hα-helixtrans-70.7-33.9168.2-66.3171.9000111.7L991 I1022 L1028 G1029 L1030 I1280 F1283 D1284 I1287 L1325L991-L1025 HydrophobicContact CD2-CD1 4.22Å; L991-L1025 HydrophobicContact CD2-CD2 4.4Å; I1022-L1025 HydrophobicContact CB-CB 4.3Å; I1022-L1025 HydrophobicContact CB-CD1 4.3Å; I1022-L1025 HydrophobicContact CD1-CB 4.3Å; I1022-L1025 HydrophobicContact CD1-CD1 4.31Å; I1022-L1025 PolarHBondContact O-N 3.38Å; L1025-L1028 PolarHBondContact O-N 3.2Å; L1025-G1029 PolarHBondContact O-N 3.23Å; L1025-G1029 VanDerWaalsContact O-N 3.14Å; L1025-L1030 HydrophobicContact CB-CB 4.31Å; L1025-L1030 HydrophobicContact CB-CD2 4.25Å; L1025-L1030 VanDerWaalsContact O-CB 3.25Å; L1025-L1030 WeakPolarHBondContact O-CB 3.43Å; L1025-L1030 PolarHBondContact O-N 2.62Å; L1025-I1280 HydrophobicContact CD1-CG2 4.24Å; L1025-F1283 HydrophobicContact CD1-CD1 3.94Å; L1025-F1283 HydrophobicContact CD1-CE1 3.92Å; L1025-F1283 HydrophobicContact CD2-CE1 3.78Å; L1025-F1283 HydrophobicContact CD2-CZ 3.99Å; L1025-F1283 HydrophobicContact CG-CE1 4.36Å; L1025-D1284 HydrophobicContact CD1-CB 4.39Å; L1025-D1284 WeakPolarHBondContact CG-OD1 3.07Å; L1025-D1284 PolarHBondContact N-OD1 2.74Å; L1025-I1287 HydrophobicContact CD2-CD1 3.98Å; L1025-I1287 HydrophobicContact CD2-CG1 4.19Å; L1025-I1287 HydrophobicContact CG-CG1 4.42Å; L1025-L1325 HydrophobicContact CD2-CD1 3.74Å
1026E91.4Very high89.1Confident8 Ų841.1 Ų41.14%0.03722%0.224CC..Hα-helixtrans-55-52.4163.7-77.7178.7168.600110.9I1022 L1028 G1029 V1039 K1040 V1042I1022-E1026 WeakPolarHBondContact O-CB 3.47Å; I1022-E1026 VanDerWaalsContact O-CG 3.31Å; I1022-E1026 WeakPolarHBondContact O-CG 3.49Å; I1022-E1026 PolarHBondContact O-N 2.9Å; E1026-L1028 VanDerWaalsContact C-N 3.3Å; E1026-L1028 PolarHBondContact O-N 3.09Å; E1026-G1029 WeakPolarHBondContact O-CA 3.5Å; E1026-G1029 PolarHBondContact O-N 3.36Å; E1026-V1039 HydrophobicContact CG-CG1 3.67Å; E1026-V1039 WeakPolarHBondContact OE1-CA 3.5Å; E1026-K1040 HydrophobicContact CG-CB 4.18Å; E1026-K1040 WeakPolarHBondContact OE1-CG 3.41Å; E1026-K1040 PolarHBondContact OE1-N 3.13Å; E1026-K1040 IonicContact OE1-NZ 2.65Å; E1026-K1040 PolarHBondContact OE1-NZ 3.26Å; E1026-K1040 WeakPolarHBondContact OE2-CD 3.25Å; E1026-K1040 IonicContact OE2-NZ 3.57Å; E1026-K1040 PolarHBondContact OE2-NZ 2.8Å; E1026-V1042 HydrophobicContact CB-CG2 4Å
1027Q91.5Very high89Confident66 Ų6641 Ų4131%0.30822%0.222SC..Hα-helixtrans-68-25.6-178.2-169.759.935.400113.1P1023 H1024 G1029 E1044 H1045 D1046P1023-Q1027 WeakPolarHBondContact O-CB 3.18Å; P1023-Q1027 PolarHBondContact O-N 2.92Å; P1023-Q1027 VanDerWaalsContact O-N 3.1Å; H1024-Q1027 CarbonylContact O-C 3.39Å; H1024-Q1027 PolarHBondContact O-N 3.09Å; Q1027-G1029 VanDerWaalsContact C-N 3.33Å; Q1027-E1044 PolarHBondContact NE2-O 2.4Å; Q1027-E1044 VanDerWaalsContact NE2-O 3.08Å; Q1027-H1045 CarbonylContact O-C 3.49Å; Q1027-H1045 VanDerWaalsContact O-CA 3.31Å; Q1027-H1045 WeakPolarHBondContact O-CA 3.16Å; Q1027-H1045 VanDerWaalsContact O-CB 3.26Å; Q1027-H1045 WeakPolarHBondContact O-CB 3.36Å; Q1027-D1046 WeakPolarHBondContact CG-OD2 3.48Å; Q1027-D1046 PolarHBondContact NE2-OD1 3.17Å; Q1027-D1046 PolarHBondContact O-N 3.3Å
1028L90.7Very high88.8Confident4 Ų437.3 Ų37.32%0.02122%0.221CC..Hα-helixtrans-76-20.2169.2-73.9173.1000113.2H1024 L1025 E1026 H1045 I1287 L1291 I1302 L1325 Y1327H1024-L1028 WeakPolarHBondContact O-CG 3.47Å; H1024-L1028 PolarHBondContact O-N 3.31Å; L1025-L1028 PolarHBondContact O-N 3.2Å; E1026-L1028 VanDerWaalsContact C-N 3.3Å; E1026-L1028 PolarHBondContact O-N 3.09Å; L1028-H1045 PolarHBondContact O-ND1 2.62Å; L1028-I1287 HydrophobicContact CD1-CD1 3.87Å; L1028-I1287 HydrophobicContact CD1-CG2 3.97Å; L1028-L1291 HydrophobicContact CD2-CD1 4.31Å; L1028-L1291 HydrophobicContact CD2-CD2 4.28Å; L1028-I1302 HydrophobicContact CD1-CD1 3.95Å; L1028-L1325 HydrophobicContact CB-CD1 4.07Å; L1028-Y1327 HydrophobicContact CD2-CD2 3.94Å; L1028-Y1327 HydrophobicContact CD2-CG 4.02Å
1029G90.2Very high88.9Confident0 Ų036 Ų360%021%0.209CC..THydrogen-bonded Turntrans11812.9171.100000116.1L1025 E1026 Q1027 G1031 T1032 H1045 A1049L1025-G1029 PolarHBondContact O-N 3.23Å; L1025-G1029 VanDerWaalsContact O-N 3.14Å; E1026-G1029 WeakPolarHBondContact O-CA 3.5Å; E1026-G1029 PolarHBondContact O-N 3.36Å; Q1027-G1029 VanDerWaalsContact C-N 3.33Å; G1029-G1031 VanDerWaalsContact C-N 3.3Å; G1029-G1031 PolarHBondContact O-N 3.05Å; G1029-T1032 WeakPolarHBondContact O-CB 3.33Å; G1029-T1032 WeakPolarHBondContact O-CG2 3.48Å; G1029-T1032 PolarHBondContact O-N 3.29Å; G1029-T1032 PolarHBondContact O-OG1 2.86Å; G1029-H1045 WeakPolarHBondContact CA-ND1 3.3Å; G1029-A1049 WeakPolarHBondContact O-CB 3.05Å
1030L91.5Very high89Confident0 Ų040.2 Ų40.20%022%0.22CC..Hα-helixtrans-54.8-42.6-176.1-169.378.6000112.8L991 I994 L1011 I1022 L1025 T1032 I1033 P1323 L1325L991-L1030 HydrophobicContact CD1-CD1 4.38Å; I994-L1030 HydrophobicContact CD1-CD1 4.35Å; L1011-L1030 HydrophobicContact CD1-CD1 4.34Å; L1011-L1030 HydrophobicContact CD1-CD2 4.31Å; L1011-L1030 HydrophobicContact CD2-CD2 4.3Å; I1022-L1030 HydrophobicContact CD1-CD2 3.58Å; L1025-L1030 HydrophobicContact CB-CB 4.31Å; L1025-L1030 HydrophobicContact CB-CD2 4.25Å; L1025-L1030 VanDerWaalsContact O-CB 3.25Å; L1025-L1030 WeakPolarHBondContact O-CB 3.43Å; L1025-L1030 PolarHBondContact O-N 2.62Å; L1030-T1032 PolarHBondContact O-N 2.94Å; L1030-I1033 HydrophobicContact CD1-CD1 3.9Å; L1030-I1033 WeakPolarHBondContact O-CB 3.15Å; L1030-I1033 WeakPolarHBondContact O-CG1 3.39Å; L1030-I1033 PolarHBondContact O-N 2.86Å; L1030-P1323 HydrophobicContact CD1-CB 3.81Å; L1030-P1323 HydrophobicContact CD1-CG 4.3Å; L1030-L1325 HydrophobicContact CB-CD1 4.31Å; L1030-L1325 HydrophobicContact CB-CD2 4.32Å; L1030-L1325 HydrophobicContact CD1-CD1 4.16Å; L1030-L1325 HydrophobicContact CD1-CD2 4.28Å; L1030-L1325 HydrophobicContact CD1-CG 4.35Å
1031G88.4Confident88.9Confident5 Ų545.2 Ų45.25%0.05225%0.247CC..Hα-helixtrans-67-14.7177.900000115G1029 R1034G1029-G1031 VanDerWaalsContact C-N 3.3Å; G1029-G1031 PolarHBondContact O-N 3.05Å; G1031-R1034 VanDerWaalsContact O-O 3.11Å
1032T88.8Confident88.7Confident20 Ų2041.6 Ų41.612%0.12323%0.228CC..Hα-helixtrans-79.8-20.3176.977.40000112.4G1029 L1030 D1041 K1336G1029-T1032 WeakPolarHBondContact O-CB 3.33Å; G1029-T1032 WeakPolarHBondContact O-CG2 3.48Å; G1029-T1032 PolarHBondContact O-N 3.29Å; G1029-T1032 PolarHBondContact O-OG1 2.86Å; L1030-T1032 PolarHBondContact O-N 2.94Å; T1032-D1041 WeakPolarHBondContact CG2-OD1 3.33Å; T1032-K1336 PolarHBondContact O-NZ 2.98Å
1033I90Very high88Confident8 Ų846.1 Ų46.14%0.04127%0.266CS..Hα-helixtrans-64.1-48.4-178.6-59.1168.9000109.3I994 L1030 A1049 T1050 K1051 P1323 L1325 K1336I994-I1033 HydrophobicContact CD1-CB 4.14Å; I994-I1033 HydrophobicContact CD1-CD1 3.98Å; I994-I1033 HydrophobicContact CD1-CG2 4.02Å; L1030-I1033 HydrophobicContact CD1-CD1 3.9Å; L1030-I1033 WeakPolarHBondContact O-CB 3.15Å; L1030-I1033 WeakPolarHBondContact O-CG1 3.39Å; L1030-I1033 PolarHBondContact O-N 2.86Å; I1033-A1049 HydrophobicContact CD1-CB 4.47Å; I1033-A1049 HydrophobicContact CG1-CB 3.96Å; I1033-T1050 VanDerWaalsContact CD1-O 3.24Å; I1033-T1050 WeakPolarHBondContact CD1-O 3.48Å; I1033-K1051 HydrophobicContact CG2-CB 3.8Å; I1033-K1051 HydrophobicContact CG2-CD 4.17Å; I1033-K1051 HydrophobicContact CG2-CG 4.28Å; I1033-P1323 HydrophobicContact CD1-CB 3.65Å; I1033-L1325 HydrophobicContact CD1-CD2 4.17Å; I1033-K1336 PolarHBondContact O-NZ 3.41Å
1034R86.9Confident87.4Confident70 Ų7051.7 Ų51.726%0.26429%0.288SS..SBendtrans-161.4159.8174.654.5166.5-72.4-166.9-8109.6I994 D1009 G1031 L1036I994-R1034 HydrophobicContact CD1-CG 4.17Å; I994-R1034 HydrophobicContact CG1-CG 3.88Å; I994-R1034 WeakPolarHBondContact O-CD 3.38Å; I994-R1034 PolarHBondContact O-NH1 2.95Å; D1009-R1034 IonicContact OD1-CZ 2.74Å; D1009-R1034 IonicContact OD1-NH1 2.72Å; D1009-R1034 PolarHBondContact OD1-NH1 3.05Å; D1009-R1034 IonicContact OD1-NH2 3.58Å; D1009-R1034 IonicContact OD2-CZ 3.63Å; D1009-R1034 IonicContact OD2-NH1 3.33Å; D1009-R1034 PolarHBondContact OD2-NH1 3.47Å; D1009-R1034 IonicContact OD2-NH2 3.75Å; D1009-R1034 PolarHBondContact OD2-NH2 3.12Å; G1031-R1034 VanDerWaalsContact O-O 3.11Å; R1034-L1036 HydrophobicContact CG-CD2 4.41Å; R1034-L1036 HydrophobicContact CG-CG 4.4Å; R1034-L1036 PolarHBondContact O-N 3.38Å
1035P85Confident87.2Confident119 Ų11949.2 Ų49.277%0.77328%0.276SS*.  trans-57.9131.9168.4-22.434.1000111.6
1036L88.5Confident86.9Confident15 Ų1552.6 Ų52.68%0.07929%0.294CS..  trans-132.3144.9172.4-66.7173.4000107.9I994 L1011 R1034 G1038 V1039I994-L1036 HydrophobicContact CD1-CD1 4.15Å; L1011-L1036 HydrophobicContact CB-CD1 4.41Å; L1011-L1036 HydrophobicContact CB-CD2 4.37Å; L1011-L1036 HydrophobicContact CD2-CD1 4.43Å; R1034-L1036 HydrophobicContact CG-CD2 4.41Å; R1034-L1036 HydrophobicContact CG-CG 4.4Å; R1034-L1036 PolarHBondContact O-N 3.38Å; L1036-G1038 PolarHBondContact O-N 2.96Å; L1036-V1039 HydrophobicContact CB-CB 3.97Å; L1036-V1039 HydrophobicContact CB-CG2 3.96Å; L1036-V1039 HydrophobicContact CD1-CG2 4.46Å
1037K84.2Confident86.7Confident118 Ų11852.2 Ų52.251%0.51329%0.293SS..SBendtrans-75.3112.9-171.3-173.1-163.4-174.5178.50111.5A1015 E1016 V1039A1015-K1037 HydrophobicContact CB-CB 4.47Å; E1016-K1037 HydrophobicContact CB-CD 4.32Å; E1016-K1037 HydrophobicContact CG-CB 4.35Å; E1016-K1037 HydrophobicContact CG-CD 4.27Å; E1016-K1037 PolarHBondContact O-NZ 3.43Å; K1037-V1039 VanDerWaalsContact C-N 3.34Å
1038G83.6Confident86.7Confident61 Ų6150.4 Ų50.463%0.62928%0.283SS*.SBendtrans94.9-24.8178.300000114.4L1036L1036-G1038 PolarHBondContact O-N 2.96Å
1039V87.6Confident86.7Confident13 Ų1350.2 Ų50.28%0.07928%0.282CS..  trans-76.2130.7171.7-172.10000109.4L1020 I1022 E1026 L1036 K1037L1020-V1039 HydrophobicContact CB-CG2 4.21Å; I1022-V1039 HydrophobicContact CD1-CG1 4.24Å; I1022-V1039 HydrophobicContact CD1-CG2 3.92Å; I1022-V1039 HydrophobicContact CG1-CG1 4.31Å; I1022-V1039 HydrophobicContact CG1-CG2 4.08Å; E1026-V1039 HydrophobicContact CG-CG1 3.67Å; E1026-V1039 WeakPolarHBondContact OE1-CA 3.5Å; L1036-V1039 HydrophobicContact CB-CB 3.97Å; L1036-V1039 HydrophobicContact CB-CG2 3.96Å; L1036-V1039 HydrophobicContact CD1-CG2 4.46Å; K1037-V1039 VanDerWaalsContact C-N 3.34Å
1040K85.6Confident86.9Confident113 Ų11350.5 Ų50.549%0.49128%0.284SS..  trans-81.9137.3-178.3-63.2169.3-146.569.80112.5E1026 V1042E1026-K1040 HydrophobicContact CG-CB 4.18Å; E1026-K1040 WeakPolarHBondContact OE1-CG 3.41Å; E1026-K1040 PolarHBondContact OE1-N 3.13Å; E1026-K1040 IonicContact OE1-NZ 2.65Å; E1026-K1040 PolarHBondContact OE1-NZ 3.26Å; E1026-K1040 WeakPolarHBondContact OE2-CD 3.25Å; E1026-K1040 IonicContact OE2-NZ 3.57Å; E1026-K1040 PolarHBondContact OE2-NZ 2.8Å; K1040-V1042 HydrophobicContact CB-CG2 4.03Å; K1040-V1042 PolarHBondContact O-N 3.14Å
1041D86.6Confident87Confident119 Ų11952.5 Ų52.564%0.63629%0.293SS*.  trans-77.394.9161.5-175.915.6000108.5T1032 A1043T1032-D1041 WeakPolarHBondContact CG2-OD1 3.33Å; D1041-A1043 PolarHBondContact O-N 3.15Å
1042V85.7Confident87.3Confident27 Ų2752.3 Ų52.316%0.16429%0.29CS..  trans-87.4104.6-176.2-178.50000109.5E1026 K1040 E1044 H1045E1026-V1042 HydrophobicContact CB-CG2 4Å; K1040-V1042 HydrophobicContact CB-CG2 4.03Å; K1040-V1042 PolarHBondContact O-N 3.14Å; V1042-E1044 VanDerWaalsContact C-N 3.26Å; V1042-E1044 PolarHBondContact O-N 3.01Å; V1042-H1045 HydrophobicContact CB-CB 4.31Å; V1042-H1045 HydrophobicContact CG1-CB 4.29Å; V1042-H1045 WeakPolarHBondContact O-CB 3.38Å; V1042-H1045 PolarHBondContact O-CD2 2.7Å; V1042-H1045 PolarHBondContact O-N 3.3Å
1043A76.1Confident87.5Confident95 Ų9553.2 Ų53.279%0.78529%0.293SS*.THydrogen-bonded Turntrans-66.4-22.5-17500000114.9D1041D1041-A1043 PolarHBondContact O-N 3.15Å
1044E79.7Confident87.5Confident163 Ų16353 Ų5376%0.76229%0.292SS*.THydrogen-bonded Turntrans-119.364173.1-67.5-178.7175.200108.6Q1027 V1042Q1027-E1044 PolarHBondContact NE2-O 2.4Å; Q1027-E1044 VanDerWaalsContact NE2-O 3.08Å; V1042-E1044 VanDerWaalsContact C-N 3.26Å; V1042-E1044 PolarHBondContact O-N 3.01Å
1045H86.4Confident87.6Confident9 Ų952.7 Ų52.74%0.04230%0.295CS..  trans-79.1163.3174.966.2107.9000111.6Q1027 L1028 G1029 V1042 G1047 Q1334 G1335Q1027-H1045 CarbonylContact O-C 3.49Å; Q1027-H1045 VanDerWaalsContact O-CA 3.31Å; Q1027-H1045 WeakPolarHBondContact O-CA 3.16Å; Q1027-H1045 VanDerWaalsContact O-CB 3.26Å; Q1027-H1045 WeakPolarHBondContact O-CB 3.36Å; L1028-H1045 PolarHBondContact O-ND1 2.62Å; G1029-H1045 WeakPolarHBondContact CA-ND1 3.3Å; V1042-H1045 HydrophobicContact CB-CB 4.31Å; V1042-H1045 HydrophobicContact CG1-CB 4.29Å; V1042-H1045 WeakPolarHBondContact O-CB 3.38Å; V1042-H1045 PolarHBondContact O-CD2 2.7Å; V1042-H1045 PolarHBondContact O-N 3.3Å; H1045-G1047 PolarHBondContact CE1-O 3.05Å; H1045-G1047 PolarHBondContact ND1-O 2.77Å; H1045-Q1334 WeakPolarHBondContact O-CB 3.31Å; H1045-Q1334 WeakPolarHBondContact O-CG 3.35Å; H1045-Q1334 PolarHBondContact O-NE2 3.22Å; H1045-G1335 PolarHBondContact CE1-O 3.15Å; H1045-G1335 WeakPolarHBondContact NE2-CA 2.97Å
1046D85.7Confident87.7Confident72 Ų7247 Ų4739%0.38526%0.258SS..SBendtrans-91.4-17.8-168.3-69-5.8000114.1Q1027 Y1327Q1027-D1046 WeakPolarHBondContact CG-OD2 3.48Å; Q1027-D1046 PolarHBondContact NE2-OD1 3.17Å; Q1027-D1046 PolarHBondContact O-N 3.3Å; D1046-Y1327 HydrophobicContact CB-CD2 4.36Å; D1046-Y1327 HydrophobicContact CB-CE2 4.07Å; D1046-Y1327 WeakPolarHBondContact O-CD2 3.39Å
1047G88Confident87.4Confident0 Ų048.7 Ų48.70%027%0.269CS..SBendtrans-123.4-165.2-174.500000114.5H1045 V1326 Q1334 G1335H1045-G1047 PolarHBondContact CE1-O 3.05Å; H1045-G1047 PolarHBondContact ND1-O 2.77Å; G1047-V1326 CarbonylContact C-O 3.55Å; G1047-V1326 WeakPolarHBondContact CA-O 3.27Å; G1047-Q1334 WeakPolarHBondContact O-CA 3.29Å; G1047-Q1334 VanDerWaalsContact O-CB 3.27Å; G1047-Q1334 WeakPolarHBondContact O-CB 3.49Å; G1047-G1335 PolarHBondContact O-N 3.12Å
1048Y91.3Very high87.1Confident28 Ų2843.3 Ų43.311%0.1125%0.247CC..EExtended strand (participates in β ladder)trans-106.7140.3167.4-77.6-94.8000110.7V1326 M1331 A1333 G1335 L1337 L1367 L1368Y1048-V1326 PolarHBondContact N-O 3.38Å; Y1048-V1326 PolarHBondContact O-N 2.97Å; Y1048-M1331 HydrophobicContact CD2-SD 3.83Å; Y1048-M1331 HydrophobicContact CE2-CG 4.33Å; Y1048-M1331 HydrophobicContact CE2-SD 4.17Å; Y1048-A1333 WeakPolarHBondContact CE2-O 3.37Å; Y1048-G1335 VanDerWaalsContact CA-O 3.23Å; Y1048-G1335 WeakPolarHBondContact CA-O 3.3Å; Y1048-G1335 WeakPolarHBondContact CD1-O 3.47Å; Y1048-L1337 HydrophobicContact CD1-CD2 3.83Å; Y1048-L1337 HydrophobicContact CD1-CG 3.9Å; Y1048-L1337 HydrophobicContact CE1-CD2 4.38Å; Y1048-L1337 HydrophobicContact CG-CD2 4.46Å; Y1048-L1337 HydrophobicContact CG-CG 4.32Å; Y1048-L1367 WeakPolarHBondContact CE1-O 3.43Å; Y1048-L1367 VanDerWaalsContact CZ-O 3.26Å; Y1048-L1367 PolarHBondContact OH-O 3.24Å; Y1048-L1368 HydrophobicContact CD1-CD2 4.16Å; Y1048-L1368 HydrophobicContact CD2-CD2 3.52Å; Y1048-L1368 HydrophobicContact CE2-CD2 4.01Å; Y1048-L1368 HydrophobicContact CG-CD2 3.59Å
1049A91.7Very high86.9Confident0 Ų041.5 Ų41.50%022%0.222CC..EExtended strand (participates in β ladder)trans-134141.2-176.700000112.5G1029 I1033 L1324 L1325 G1335 K1336 L1337G1029-A1049 WeakPolarHBondContact O-CB 3.05Å; I1033-A1049 HydrophobicContact CD1-CB 4.47Å; I1033-A1049 HydrophobicContact CG1-CB 3.96Å; A1049-L1324 WeakPolarHBondContact CA-O 3.24Å; A1049-L1325 HydrophobicContact CB-CD2 3.78Å; A1049-G1335 PolarHBondContact N-O 3.27Å; A1049-K1336 WeakPolarHBondContact O-CA 3.46Å; A1049-L1337 PolarHBondContact O-N 3.05Å
1050T93.7Very high86.5Confident6 Ų642.1 Ų42.14%0.03723%0.225CC..EExtended strand (participates in β ladder)trans-159.5-171.1169.8-169.20000110.8I1033 L1052 L1324 L1337 P1338I1033-T1050 VanDerWaalsContact CD1-O 3.24Å; I1033-T1050 WeakPolarHBondContact CD1-O 3.48Å; T1050-L1052 HydrophobicContact CG2-CD2 4.22Å; T1050-L1324 HydrophobicContact CG2-CB 4.13Å; T1050-L1324 HydrophobicContact CG2-CD2 4.16Å; T1050-L1324 PolarHBondContact N-O 2.91Å; T1050-L1324 PolarHBondContact O-N 3.39Å; T1050-L1337 HydrophobicContact CG2-CB 3.82Å; T1050-L1337 HydrophobicContact CG2-CD1 4.32Å; T1050-L1337 PolarHBondContact OG1-O 2.78Å; T1050-P1338 WeakPolarHBondContact CB-O 3.32Å; T1050-P1338 VanDerWaalsContact OG1-C 3.28Å; T1050-P1338 PolarHBondContact OG1-O 3.39Å
1051K93.8Very high86.4Confident42 Ų4238.1 Ų38.118%0.18321%0.21CC..EExtended strand (participates in β ladder)trans-124.7148.4166.967.2-167.6-179.583.20110.6I994 I1033 Y1321 V1322 Q1339 G1340I994-K1051 HydrophobicContact CG2-CB 4.05Å; I1033-K1051 HydrophobicContact CG2-CB 3.8Å; I1033-K1051 HydrophobicContact CG2-CD 4.17Å; I1033-K1051 HydrophobicContact CG2-CG 4.28Å; K1051-Y1321 HydrophobicContact CB-CD1 4.41Å; K1051-Y1321 HydrophobicContact CD-CD1 4.01Å; K1051-Y1321 HydrophobicContact CD-CD2 4.27Å; K1051-Y1321 HydrophobicContact CD-CG 3.85Å; K1051-Y1321 HydrophobicContact CG-CD1 3.85Å; K1051-Y1321 HydrophobicContact CG-CE1 4.48Å; K1051-Y1321 HydrophobicContact CG-CG 4.14Å; K1051-Y1321 VanDerWaalsContact NZ-CG 3.3Å; K1051-V1322 CarbonylContact C-O 3.25Å; K1051-V1322 WeakPolarHBondContact CA-O 3.22Å; K1051-V1322 WeakPolarHBondContact CB-O 3.49Å; K1051-Q1339 VanDerWaalsContact CE-OE1 3.3Å; K1051-Q1339 HydrophobicContact CG-CG 4.4Å; K1051-G1340 PolarHBondContact O-N 3.47Å
1052L94Very high86.2Confident1 Ų133.3 Ų33.31%0.00518%0.184CC..EExtended strand (participates in β ladder)trans-111.6143.4180-51.8179.3000110.7T1050 Y1321 V1322 L1324 G1340 Y1342 I1345T1050-L1052 HydrophobicContact CG2-CD2 4.22Å; L1052-Y1321 WeakPolarHBondContact O-CA 3.44Å; L1052-Y1321 WeakPolarHBondContact O-CD1 3.39Å; L1052-V1322 HydrophobicContact CB-CG2 3.92Å; L1052-V1322 PolarHBondContact N-O 2.58Å; L1052-V1322 PolarHBondContact O-N 3.07Å; L1052-L1324 HydrophobicContact CD1-CB 4.05Å; L1052-L1324 HydrophobicContact CD1-CD2 4.13Å; L1052-L1324 HydrophobicContact CD1-CG 4.45Å; L1052-L1324 HydrophobicContact CD2-CB 4.35Å; L1052-L1324 HydrophobicContact CD2-CD2 4.07Å; L1052-L1324 HydrophobicContact CG-CB 3.94Å; L1052-L1324 HydrophobicContact CG-CD2 4.36Å; L1052-G1340 CarbonylContact C-O 3.46Å; L1052-G1340 WeakPolarHBondContact CA-O 3.29Å; L1052-Y1342 HydrophobicContact CB-CD1 3.82Å; L1052-Y1342 HydrophobicContact CB-CE1 4.4Å; L1052-I1345 HydrophobicContact CD1-CD1 3.63Å; L1052-I1345 HydrophobicContact CD1-CG1 3.81Å
1053E93.6Very high86.1Confident38 Ų3832 Ų3218%0.17818%0.176CC..EExtended strand (participates in β ladder)trans-99.8142.8175.9-156.7167.5125.100110.2P998 Y1321 Q1339 G1340 Y1341 Y1342P998-E1053 WeakPolarHBondContact CG-OE2 3.47Å; E1053-Y1321 HydrophobicContact CB-CD1 4.14Å; E1053-Y1321 HydrophobicContact CB-CE1 3.7Å; E1053-Y1321 HydrophobicContact CG-CD1 4.36Å; E1053-Y1321 HydrophobicContact CG-CE1 3.71Å; E1053-Y1321 WeakPolarHBondContact OE2-CE1 3.41Å; E1053-Y1321 VanDerWaalsContact OE2-CZ 3.22Å; E1053-Y1321 PolarHBondContact OE2-OH 3.27Å; E1053-Q1339 PolarHBondContact OE2-NE2 3.25Å; E1053-G1340 PolarHBondContact N-O 2.92Å; E1053-Y1341 HydrophobicContact CB-CD1 3.8Å; E1053-Y1341 HydrophobicContact CB-CE1 4.06Å; E1053-Y1341 WeakPolarHBondContact O-CA 3.35Å; E1053-Y1342 WeakPolarHBondContact O-CD1 3.32Å; E1053-Y1342 PolarHBondContact O-N 3.33Å; E1053-Y1342 VanDerWaalsContact O-N 3.11Å
1054E90.8Very high86.7Confident5 Ų527.5 Ų27.52%0.02314%0.138CC..  trans-90.9116.7176.9-168.2-179.1-167.800109.8T1063 R1319 Y1342E1054-T1063 WeakPolarHBondContact OE1-CG2 3.33Å; E1054-R1319 VanDerWaalsContact CG-NH1 3.3Å; E1054-R1319 PolarHBondContact O-NH2 2.92Å; E1054-R1319 IonicContact OE1-NH1 3.8Å; E1054-R1319 IonicContact OE2-CZ 3.37Å; E1054-R1319 IonicContact OE2-NH1 3.93Å; E1054-R1319 PolarHBondContact OE2-NH1 3.06Å; E1054-Y1342 HydrophobicContact CB-CD1 4.26Å; E1054-Y1342 HydrophobicContact CB-CD2 4.31Å; E1054-Y1342 HydrophobicContact CB-CE1 3.78Å; E1054-Y1342 HydrophobicContact CB-CE2 3.83Å; E1054-Y1342 HydrophobicContact CG-CD2 4.03Å; E1054-Y1342 HydrophobicContact CG-CE1 4.49Å; E1054-Y1342 HydrophobicContact CG-CE2 3.63Å
1055I87.8Confident87.2Confident62 Ų6220 Ų2032%0.31810%0.104SC..  trans-76.8-32.7178.6-60.2178.6000111.1E1067 Y1341I1055-E1067 PolarHBondContact N-OE1 3.36Å; I1055-E1067 PolarHBondContact N-OE2 2.55Å; I1055-Y1341 HydrophobicContact CD1-CD1 3.65Å; I1055-Y1341 HydrophobicContact CD1-CD2 4.23Å; I1055-Y1341 HydrophobicContact CD1-CE1 4.24Å; I1055-Y1341 HydrophobicContact CD1-CG 3.65Å; I1055-Y1341 HydrophobicContact CG1-CD1 3.35Å; I1055-Y1341 HydrophobicContact CG1-CE1 3.97Å; I1055-Y1341 HydrophobicContact CG1-CG 3.85Å
1056S88.4Confident87.4Confident0 Ų019.7 Ų19.70%010%0.102CC..SBendtrans-66.9148-173.1-61.80000112.4G1058 E1067 I1073 R1319S1056-G1058 VanDerWaalsContact C-N 3.29Å; S1056-G1058 PolarHBondContact O-N 3.22Å; S1056-G1058 VanDerWaalsContact O-N 3.09Å; S1056-E1067 WeakPolarHBondContact CB-OE2 3.42Å; S1056-E1067 PolarHBondContact N-OE2 3.2Å; S1056-E1067 PolarHBondContact OG-OE2 2.8Å; S1056-I1073 CarbonylContact C-O 3.49Å; S1056-I1073 VanDerWaalsContact CA-O 3.29Å; S1056-I1073 WeakPolarHBondContact CA-O 3.12Å; S1056-I1073 WeakPolarHBondContact CB-O 3.44Å; S1056-I1073 PolarHBondContact OG-N 3.49Å; S1056-R1319 PolarHBondContact O-NH1 2.7Å; S1056-R1319 PolarHBondContact O-NH2 2.79Å
1057V81.1Confident87.7Confident51 Ų5116.2 Ų16.231%0.3098%0.083SC..SBendtrans-87.570.5-179.6-1710000109.1I1073 P1076V1057-I1073 PolarHBondContact N-O 2.78Å; V1057-P1076 WeakPolarHBondContact O-CA 3.47Å; V1057-P1076 VanDerWaalsContact O-CB 3.31Å; V1057-P1076 WeakPolarHBondContact O-CB 3.37Å
1058G78.8Confident88Confident5 Ų516.8 Ų16.85%0.0529%0.086CC..  trans-161.4-171.6176.100000110F1003 S1056 R1319F1003-G1058 VanDerWaalsContact CE1-O 3.25Å; F1003-G1058 WeakPolarHBondContact CE1-O 3.23Å; F1003-G1058 VanDerWaalsContact CZ-O 3.23Å; F1003-G1058 WeakPolarHBondContact CZ-O 3.44Å; S1056-G1058 VanDerWaalsContact C-N 3.29Å; S1056-G1058 PolarHBondContact O-N 3.22Å; S1056-G1058 VanDerWaalsContact O-N 3.09Å; G1058-R1319 PolarHBondContact O-NH1 3.21Å
1059K79.5Confident88Confident23 Ų2315.5 Ų15.510%0.18%0.081CC..  trans-155.819.1166.460.5173.3178.3169.20112.2F1003 D1005 D1316 H1317 R1319F1003-K1059 HydrophobicContact CB-CD 4.36Å; F1003-K1059 HydrophobicContact CD1-CB 4.46Å; F1003-K1059 HydrophobicContact CD1-CD 3.94Å; F1003-K1059 HydrophobicContact CD1-CG 4.08Å; F1003-K1059 HydrophobicContact CE1-CB 4.45Å; F1003-K1059 HydrophobicContact CE1-CG 4.37Å; F1003-K1059 HydrophobicContact CG-CD 4.42Å; D1005-K1059 VanDerWaalsContact CG-NZ 3.25Å; D1005-K1059 IonicContact OD1-NZ 3.93Å; D1005-K1059 PolarHBondContact OD1-NZ 3.06Å; D1005-K1059 VanDerWaalsContact OD2-CD 3.3Å; D1005-K1059 WeakPolarHBondContact OD2-CD 3.21Å; D1005-K1059 IonicContact OD2-NZ 3.13Å; D1005-K1059 PolarHBondContact OD2-NZ 2.72Å; K1059-D1316 WeakPolarHBondContact CE-OD2 3.34Å; K1059-D1316 IonicContact NZ-OD2 2.7Å; K1059-D1316 PolarHBondContact NZ-OD2 3.37Å; K1059-H1317 WeakPolarHBondContact CD-O 3.21Å; K1059-H1317 VanDerWaalsContact CE-O 3.26Å; K1059-H1317 WeakPolarHBondContact CE-O 3.45Å; K1059-H1317 HydrophobicContact CG-CB 4.39Å; K1059-H1317 PolarHBondContact NZ-O 3.42Å; K1059-H1317 WeakPolarHBondContact O-CB 3.41Å; K1059-H1317 PolarHBondContact O-ND1 2.91Å; K1059-R1319 HydrophobicContact CD-CB 4.41Å
1060D79.3Confident87.9Confident26 Ų2615.5 Ų15.514%0.1398%0.082CC..SBendtrans-102.4161-172.672.594.6000112.2M1062 T1063 G1064D1060-M1062 PolarHBondContact O-N 3.39Å; D1060-M1062 VanDerWaalsContact O-N 3.1Å; D1060-M1062 WeakPolarHBondContact OD1-CB 3.21Å; D1060-M1062 PolarHBondContact OD1-N 2.77Å; D1060-T1063 PolarHBondContact O-N 3.33Å; D1060-T1063 PolarHBondContact OD1-N 3.03Å; D1060-T1063 VanDerWaalsContact OD2-CB 3.32Å; D1060-T1063 WeakPolarHBondContact OD2-CB 3.48Å; D1060-T1063 PolarHBondContact OD2-OG1 2.65Å; D1060-G1064 PolarHBondContact O-N 2.92Å
1061T82.6Confident87.7Confident29 Ų2916.1 Ų16.118%0.1788%0.084CC..Hα-helixtrans-51.7-34.7-177.8-45.40000114.6H1065 I1222 D1305 H1306T1061-H1065 VanDerWaalsContact O-CB 3.29Å; T1061-H1065 WeakPolarHBondContact O-CB 3.14Å; T1061-H1065 PolarHBondContact O-N 3.49Å; T1061-H1065 PolarHBondContact O-ND1 3.3Å; T1061-I1222 HydrophobicContact CG2-CD1 3.87Å; T1061-I1222 HydrophobicContact CG2-CG1 4.45Å; T1061-D1305 WeakPolarHBondContact CA-OD2 3.45Å; T1061-D1305 WeakPolarHBondContact CG2-OD2 3.32Å; T1061-H1306 PolarHBondContact OG1-NE2 3.31Å
1062M83Confident87.4Confident18 Ų1816.9 Ų16.99%0.0899%0.091CC..Hα-helixtrans-75.8-44.9178.6-60.9172.5-6200110.3D1060 H1065 W1066 F1077 P1135D1060-M1062 PolarHBondContact O-N 3.39Å; D1060-M1062 VanDerWaalsContact O-N 3.1Å; D1060-M1062 WeakPolarHBondContact OD1-CB 3.21Å; D1060-M1062 PolarHBondContact OD1-N 2.77Å; M1062-H1065 PolarHBondContact O-N 2.96Å; M1062-W1066 HydrophobicContact CB-CZ2 4.48Å; M1062-W1066 VanDerWaalsContact O-CB 3.25Å; M1062-W1066 WeakPolarHBondContact O-CB 3.28Å; M1062-W1066 VanDerWaalsContact O-CD1 3.23Å; M1062-W1066 PolarHBondContact O-N 2.93Å; M1062-F1077 HydrophobicContact CB-CE2 3.96Å; M1062-F1077 HydrophobicContact CB-CZ 4.14Å; M1062-F1077 HydrophobicContact CE-CD1 3.79Å; M1062-F1077 HydrophobicContact CE-CD2 3.83Å; M1062-F1077 HydrophobicContact CE-CE1 3.69Å; M1062-F1077 HydrophobicContact CE-CE2 3.76Å; M1062-F1077 HydrophobicContact CE-CG 3.86Å; M1062-F1077 HydrophobicContact CE-CZ 3.68Å; M1062-F1077 HydrophobicContact SD-CE1 4.39Å; M1062-F1077 HydrophobicContact SD-CZ 4.23Å; M1062-P1135 HydrophobicContact CE-CG 4.33Å
1063T83.9Confident86.9Confident0 Ų017.1 Ų17.10%09%0.092CC..Hα-helixtrans-59.3-50.7178.7-58.50000111.9E1054 D1060 H1065 W1066 E1067 I1073E1054-T1063 WeakPolarHBondContact OE1-CG2 3.33Å; D1060-T1063 PolarHBondContact O-N 3.33Å; D1060-T1063 PolarHBondContact OD1-N 3.03Å; D1060-T1063 VanDerWaalsContact OD2-CB 3.32Å; D1060-T1063 WeakPolarHBondContact OD2-CB 3.48Å; D1060-T1063 PolarHBondContact OD2-OG1 2.65Å; T1063-H1065 PolarHBondContact O-N 3.1Å; T1063-W1066 PolarHBondContact O-N 3.03Å; T1063-E1067 PolarHBondContact O-N 2.78Å; T1063-I1073 HydrophobicContact CG2-CB 4.25Å; T1063-I1073 HydrophobicContact CG2-CD1 4.08Å; T1063-I1073 HydrophobicContact CG2-CG1 4.41Å
1064G88.7Confident86.2Confident0 Ų020.9 Ų20.90%011%0.109CC..Hα-helixtrans-61.7-47179.700000113.1D1060 W1066 E1067 I1068 D1305D1060-G1064 PolarHBondContact O-N 2.92Å; G1064-W1066 PolarHBondContact O-N 3.1Å; G1064-E1067 PolarHBondContact O-N 3.17Å; G1064-I1068 VanDerWaalsContact O-CG1 3.3Å; G1064-I1068 WeakPolarHBondContact O-CG1 3.39Å; G1064-I1068 PolarHBondContact O-N 3.26Å; G1064-D1305 WeakPolarHBondContact CA-O 3.43Å
1065H90Very high85.2Confident6 Ų623 Ų233%0.02812%0.123CC..Hα-helixtrans-62.2-41.9176.5-82.571.9000112.9T1061 M1062 T1063 I1068 A1069 I1219 I1222 F1223 F1257 N1259 D1305T1061-H1065 VanDerWaalsContact O-CB 3.29Å; T1061-H1065 WeakPolarHBondContact O-CB 3.14Å; T1061-H1065 PolarHBondContact O-N 3.49Å; T1061-H1065 PolarHBondContact O-ND1 3.3Å; M1062-H1065 PolarHBondContact O-N 2.96Å; T1063-H1065 PolarHBondContact O-N 3.1Å; H1065-I1068 PolarHBondContact O-N 2.88Å; H1065-A1069 WeakPolarHBondContact O-CB 3.47Å; H1065-A1069 PolarHBondContact O-N 2.88Å; H1065-I1219 WeakPolarHBondContact CD2-CD1 3.38Å; H1065-I1219 VanDerWaalsContact NE2-CD1 3.33Å; H1065-I1219 WeakPolarHBondContact NE2-CD1 3.34Å; H1065-I1222 HydrophobicContact CB-CG2 3.63Å; H1065-F1223 HydrophobicContact CB-CE2 4.19Å; H1065-F1223 HydrophobicContact CB-CZ 4Å; H1065-F1223 WeakPolarHBondContact O-CZ 3.49Å; H1065-F1257 AromaticContact CD2-CZ 3.69Å; H1065-N1259 PolarHBondContact CE1-ND2 3.06Å; H1065-N1259 PolarHBondContact NE2-ND2 2.84Å; H1065-D1305 IonicContact CE1-OD1 3.06Å; H1065-D1305 IonicContact CE1-OD2 3.14Å; H1065-D1305 PolarHBondContact CE1-OD2 3Å; H1065-D1305 WeakPolarHBondContact ND1-CB 3.44Å; H1065-D1305 IonicContact ND1-OD2 3.06Å; H1065-D1305 PolarHBondContact ND1-OD2 3.11Å
1066W90.1Very high84.3Confident1 Ų122 Ų220%0.00412%0.12CC..Hα-helixtrans-70.8-31.6-178.2-68.79.4000112M1062 T1063 G1064 A1069 G1070 L1071 I1073 F1077 L1195 P1197 F1198 I1222 F1223M1062-W1066 HydrophobicContact CB-CZ2 4.48Å; M1062-W1066 VanDerWaalsContact O-CB 3.25Å; M1062-W1066 WeakPolarHBondContact O-CB 3.28Å; M1062-W1066 VanDerWaalsContact O-CD1 3.23Å; M1062-W1066 PolarHBondContact O-N 2.93Å; T1063-W1066 PolarHBondContact O-N 3.03Å; G1064-W1066 PolarHBondContact O-N 3.1Å; W1066-A1069 CarbonylContact O-C 3.06Å; W1066-A1069 PolarHBondContact O-N 2.78Å; W1066-G1070 PolarHBondContact O-N 3Å; W1066-L1071 HydrophobicContact CB-CB 4.46Å; W1066-L1071 HydrophobicContact CB-CD1 4.28Å; W1066-L1071 WeakPolarHBondContact O-CB 3.49Å; W1066-L1071 PolarHBondContact O-N 3.4Å; W1066-I1073 HydrophobicContact CB-CD1 4.13Å; W1066-I1073 HydrophobicContact CD2-CD1 4.25Å; W1066-I1073 HydrophobicContact CE3-CD1 3.51Å; W1066-I1073 HydrophobicContact CZ3-CD1 4.25Å; W1066-F1077 HydrophobicContact CH2-CZ 4.1Å; W1066-F1077 HydrophobicContact CZ3-CZ 4.04Å; W1066-L1195 HydrophobicContact CH2-CB 4.15Å; W1066-L1195 HydrophobicContact CH2-CD2 4.29Å; W1066-L1195 HydrophobicContact CH2-CG 3.96Å; W1066-P1197 HydrophobicContact CD2-CB 4.16Å; W1066-P1197 HydrophobicContact CD2-CG 4.29Å; W1066-P1197 HydrophobicContact CE3-CB 4.35Å; W1066-P1197 HydrophobicContact CZ2-CB 4.46Å; W1066-P1197 HydrophobicContact CZ2-CG 4.05Å; W1066-F1198 HydrophobicContact CE3-CD2 4.07Å; W1066-F1198 HydrophobicContact CE3-CE2 4.35Å; W1066-F1198 AromaticContact CZ3-CD2 3.72Å; W1066-F1198 HydrophobicContact CZ3-CD2 3.72Å; W1066-F1198 AromaticContact CZ3-CE2 3.74Å; W1066-F1198 HydrophobicContact CZ3-CE2 3.74Å; W1066-F1198 HydrophobicContact CZ3-CG 4.38Å; W1066-F1198 HydrophobicContact CZ3-CZ 4.41Å; W1066-I1222 PolarHBondContact NE1-O 3.45Å; W1066-F1223 AromaticContact CD1-CD1 3.78Å; W1066-F1223 AromaticContact CD1-CE1 3.47Å; W1066-F1223 VanDerWaalsContact CD1-CE1 3.47Å; W1066-F1223 HydrophobicContact CG-CE1 4.32Å; W1066-F1223 AromaticContact NE1-CD1 3.98Å
1067E92.3Very high83.6Confident0 Ų023 Ų230%013%0.125CC..Hα-helixtrans-71.9-40.7170.3-168.7175.914500112.3I1055 S1056 T1063 G1064 A1069 G1070 L1071 Y1342 S1343I1055-E1067 PolarHBondContact N-OE1 3.36Å; I1055-E1067 PolarHBondContact N-OE2 2.55Å; S1056-E1067 WeakPolarHBondContact CB-OE2 3.42Å; S1056-E1067 PolarHBondContact N-OE2 3.2Å; S1056-E1067 PolarHBondContact OG-OE2 2.8Å; T1063-E1067 PolarHBondContact O-N 2.78Å; G1064-E1067 PolarHBondContact O-N 3.17Å; E1067-A1069 PolarHBondContact O-N 2.84Å; E1067-A1069 VanDerWaalsContact O-N 3.16Å; E1067-G1070 WeakPolarHBondContact O-CA 3.34Å; E1067-G1070 PolarHBondContact O-N 3.15Å; E1067-L1071 WeakPolarHBondContact CA-O 3.03Å; E1067-L1071 WeakPolarHBondContact CG-O 3.33Å; E1067-Y1342 HydrophobicContact CB-CD2 4.23Å; E1067-S1343 WeakPolarHBondContact O-CA 3.41Å; E1067-S1343 WeakPolarHBondContact O-CB 3.19Å; E1067-S1343 PolarHBondContact O-N 3.09Å
1068I92.7Very high83.5Confident11 Ų1125.2 Ų25.26%0.05613%0.128CC..Hα-helixtrans-55.4-32170.4-71.7168.7000111.2G1064 H1065 F1257 T1303 D1305 Y1342 I1345 A1346G1064-I1068 VanDerWaalsContact O-CG1 3.3Å; G1064-I1068 WeakPolarHBondContact O-CG1 3.39Å; G1064-I1068 PolarHBondContact O-N 3.26Å; H1065-I1068 PolarHBondContact O-N 2.88Å; I1068-F1257 HydrophobicContact CG2-CZ 4.05Å; I1068-T1303 HydrophobicContact CD1-CG2 4.08Å; I1068-D1305 HydrophobicContact CD1-CB 3.99Å; I1068-Y1342 HydrophobicContact CD1-CD2 4.39Å; I1068-Y1342 HydrophobicContact CG1-CD2 3.93Å; I1068-Y1342 HydrophobicContact CG1-CG 4.14Å; I1068-I1345 HydrophobicContact CG1-CD1 4.37Å; I1068-I1345 HydrophobicContact CG2-CB 4.37Å; I1068-I1345 HydrophobicContact CG2-CD1 4.17Å; I1068-I1345 HydrophobicContact CG2-CG2 4.09Å; I1068-A1346 WeakPolarHBondContact O-CB 3.03Å; I1068-A1346 PolarHBondContact O-N 2.83Å
1069A91.8Very high83.5Confident1 Ų128.9 Ų28.91%0.00815%0.149CC..THydrogen-bonded Turntrans-88.8617500000114.9H1065 W1066 E1067 T1201 V1202 L1203 F1223H1065-A1069 WeakPolarHBondContact O-CB 3.47Å; H1065-A1069 PolarHBondContact O-N 2.88Å; W1066-A1069 CarbonylContact O-C 3.06Å; W1066-A1069 PolarHBondContact O-N 2.78Å; E1067-A1069 PolarHBondContact O-N 2.84Å; E1067-A1069 VanDerWaalsContact O-N 3.16Å; A1069-T1201 HydrophobicContact CB-CG2 4.08Å; A1069-T1201 WeakPolarHBondContact O-CA 3.44Å; A1069-V1202 PolarHBondContact O-N 3.12Å; A1069-L1203 HydrophobicContact CB-CG 4.42Å; A1069-F1223 HydrophobicContact CB-CE1 3.53Å; A1069-F1223 HydrophobicContact CB-CZ 3.64Å
1070G90.3Very high83.7Confident1 Ų129.1 Ų29.11%0.0115%0.15CC..THydrogen-bonded Turntrans100.46165.800000117W1066 E1067 T1358 N1360W1066-G1070 PolarHBondContact O-N 3Å; E1067-G1070 WeakPolarHBondContact O-CA 3.34Å; E1067-G1070 PolarHBondContact O-N 3.15Å; G1070-T1358 WeakPolarHBondContact CA-OG1 3.28Å; G1070-T1358 WeakPolarHBondContact O-CB 3.25Å; G1070-N1360 PolarHBondContact O-ND2 2.97Å
1071L89.7Confident83.5Confident18 Ų1832 Ų329%0.09417%0.17CC..  trans-82.1173.8172.3-56.8-173.6000111.4W1066 E1067 P1197 K1200 T1201W1066-L1071 HydrophobicContact CB-CB 4.46Å; W1066-L1071 HydrophobicContact CB-CD1 4.28Å; W1066-L1071 WeakPolarHBondContact O-CB 3.49Å; W1066-L1071 PolarHBondContact O-N 3.4Å; E1067-L1071 WeakPolarHBondContact CA-O 3.03Å; E1067-L1071 WeakPolarHBondContact CG-O 3.33Å; L1071-P1197 HydrophobicContact CD1-CB 3.77Å; L1071-K1200 WeakPolarHBondContact CD2-O 3.19Å; L1071-T1201 HydrophobicContact CD1-CG2 4.14Å; L1071-T1201 HydrophobicContact CG-CG2 4.19Å
1072N87.5Confident83.5Confident59 Ų5939.2 Ų39.232%0.31620%0.201SC..  trans-144.3103.5176.2176.5-14.5000107.7Q1074 N1360N1072-Q1074 PolarHBondContact OD1-NE2 2.72Å; N1072-N1360 WeakPolarHBondContact CB-ND2 3.43Å; N1072-N1360 VanDerWaalsContact CB-OD1 3.3Å; N1072-N1360 WeakPolarHBondContact CB-OD1 3.22Å; N1072-N1360 PolarHBondContact ND2-OD1 2.78Å
1073I84Confident83.6Confident5 Ų538.8 Ų38.83%0.02620%0.202CC..  trans-92.2114.7-171.9-48.9-173000109S1056 V1057 T1063 W1066 T1075 F1077 F1198S1056-I1073 CarbonylContact C-O 3.49Å; S1056-I1073 VanDerWaalsContact CA-O 3.29Å; S1056-I1073 WeakPolarHBondContact CA-O 3.12Å; S1056-I1073 WeakPolarHBondContact CB-O 3.44Å; S1056-I1073 PolarHBondContact OG-N 3.49Å; V1057-I1073 PolarHBondContact N-O 2.78Å; T1063-I1073 HydrophobicContact CG2-CB 4.25Å; T1063-I1073 HydrophobicContact CG2-CD1 4.08Å; T1063-I1073 HydrophobicContact CG2-CG1 4.41Å; W1066-I1073 HydrophobicContact CB-CD1 4.13Å; W1066-I1073 HydrophobicContact CD2-CD1 4.25Å; W1066-I1073 HydrophobicContact CE3-CD1 3.51Å; W1066-I1073 HydrophobicContact CZ3-CD1 4.25Å; I1073-T1075 VanDerWaalsContact CG2-O 3.25Å; I1073-T1075 WeakPolarHBondContact CG2-O 3.18Å; I1073-F1077 HydrophobicContact CD1-CE2 4.48Å; I1073-F1198 HydrophobicContact CD1-CD2 4.32Å; I1073-F1198 HydrophobicContact CD1-CE2 4.28Å; I1073-F1198 HydrophobicContact CG1-CD2 4.32Å; I1073-F1198 HydrophobicContact CG2-CD2 4.27Å; I1073-F1198 HydrophobicContact CG2-CE2 3.87Å
1074Q78.5Confident84.1Confident117 Ų11739.1 Ų39.155%0.54720%0.203SC..  trans-99.13.2178.2-66.6-66-5700113.6N1072N1072-Q1074 PolarHBondContact OD1-NE2 2.72Å
1075T69.3Low84.1Confident50 Ų5041.5 Ų41.531%0.30722%0.219SC..SBendtrans-125.7113.9179.8-48.30000109.9I1073 D1165 M1168I1073-T1075 VanDerWaalsContact CG2-O 3.25Å; I1073-T1075 WeakPolarHBondContact CG2-O 3.18Å; T1075-D1165 HydrophobicContact CG2-CB 4.14Å; T1075-M1168 HydrophobicContact CG2-CE 3.55Å; T1075-M1168 HydrophobicContact CG2-SD 3.57Å; T1075-M1168 VanDerWaalsContact CG2-SD 3.57Å
1076P67.8Low84.1Confident41 Ų4145.8 Ų45.827%0.26624%0.239SC..PPolyproline II helixtrans-72.6144.4-179.125.8-33000112.7V1057V1057-P1076 WeakPolarHBondContact O-CA 3.47Å; V1057-P1076 VanDerWaalsContact O-CB 3.31Å; V1057-P1076 WeakPolarHBondContact O-CB 3.37Å
1077F75Confident84Confident21 Ų2152.3 Ų52.39%0.09227%0.27CS..PPolyproline II helixtrans-60.4137.5165.8-64.4-83.2000111.1M1062 W1066 I1073 P1135 M1168 L1195M1062-F1077 HydrophobicContact CB-CE2 3.96Å; M1062-F1077 HydrophobicContact CB-CZ 4.14Å; M1062-F1077 HydrophobicContact CE-CD1 3.79Å; M1062-F1077 HydrophobicContact CE-CD2 3.83Å; M1062-F1077 HydrophobicContact CE-CE1 3.69Å; M1062-F1077 HydrophobicContact CE-CE2 3.76Å; M1062-F1077 HydrophobicContact CE-CG 3.86Å; M1062-F1077 HydrophobicContact CE-CZ 3.68Å; M1062-F1077 HydrophobicContact SD-CE1 4.39Å; M1062-F1077 HydrophobicContact SD-CZ 4.23Å; W1066-F1077 HydrophobicContact CH2-CZ 4.1Å; W1066-F1077 HydrophobicContact CZ3-CZ 4.04Å; I1073-F1077 HydrophobicContact CD1-CE2 4.48Å; F1077-P1135 HydrophobicContact CB-CB 3.97Å; F1077-P1135 HydrophobicContact CB-CG 4.09Å; F1077-M1168 HydrophobicContact CD1-CG 4.31Å; F1077-L1195 HydrophobicContact CE1-CD2 3.7Å; F1077-L1195 HydrophobicContact CZ-CD2 4.25Å
1078R78.6Confident84Confident98 Ų9852.3 Ų52.337%0.3727%0.27SS..PPolyproline II helixtrans-96.9124.1-175.8-58.4-60.1-165.5172.42.1111.5F1080 P1135 D1165 M1168R1078-F1080 HydrophobicContact CB-CD2 4.33Å; R1078-F1080 HydrophobicContact CB-CE2 3.44Å; R1078-F1080 VanDerWaalsContact CB-CE2 3.44Å; R1078-F1080 HydrophobicContact CB-CZ 3.65Å; R1078-F1080 HydrophobicContact CG-CZ 4.43Å; R1078-F1080 WeakPolarHBondContact O-CD2 3.47Å; R1078-F1080 WeakPolarHBondContact O-CE2 3.45Å; R1078-P1135 WeakPolarHBondContact O-CB 3.37Å; R1078-D1165 IonicContact CZ-OD2 3.3Å; R1078-D1165 IonicContact NE-OD2 2.77Å; R1078-D1165 PolarHBondContact NE-OD2 3.36Å; R1078-D1165 VanDerWaalsContact NE-OD2 3.14Å; R1078-D1165 IonicContact NH2-OD1 2.76Å; R1078-D1165 IonicContact NH2-OD2 2.7Å; R1078-D1165 PolarHBondContact NH2-OD2 3.01Å; R1078-M1168 PolarHBondContact N-O 2.75Å
1079V78.2Confident84.1Confident81 Ų8151.9 Ų51.949%0.49127%0.267SS..PPolyproline II helixtrans-94.4148.1164.9-67.40000110.6P1081 P1135V1079-P1081 WeakPolarHBondContact O-CD 3.45Å; V1079-P1135 HydrophobicContact CG1-CB 3.99Å
1080F83.8Confident84.1Confident28 Ų2855.7 Ų55.712%0.12329%0.288CS..  trans-127.565.3-171.9-69.2-86.6000112.2R1078 E1082 G1083 F1084 P1085 T1131 I1169R1078-F1080 HydrophobicContact CB-CD2 4.33Å; R1078-F1080 HydrophobicContact CB-CE2 3.44Å; R1078-F1080 VanDerWaalsContact CB-CE2 3.44Å; R1078-F1080 HydrophobicContact CB-CZ 3.65Å; R1078-F1080 HydrophobicContact CG-CZ 4.43Å; R1078-F1080 WeakPolarHBondContact O-CD2 3.47Å; R1078-F1080 WeakPolarHBondContact O-CE2 3.45Å; F1080-E1082 VanDerWaalsContact C-N 3.29Å; F1080-E1082 PolarHBondContact O-N 2.65Å; F1080-G1083 WeakPolarHBondContact O-CA 3.29Å; F1080-G1083 PolarHBondContact O-N 2.97Å; F1080-F1084 HydrophobicContact CB-CD1 3.84Å; F1080-F1084 HydrophobicContact CB-CE1 3.86Å; F1080-F1084 HydrophobicContact CB-CG 4.47Å; F1080-F1084 HydrophobicContact CB-CZ 4.49Å; F1080-F1084 AromaticContact CD1-CD1 3.98Å; F1080-F1084 HydrophobicContact CD1-CD1 3.98Å; F1080-F1084 AromaticContact CD2-CD1 3.56Å; F1080-F1084 HydrophobicContact CD2-CD1 3.56Å; F1080-F1084 AromaticContact CD2-CE1 3.36Å; F1080-F1084 HydrophobicContact CD2-CE1 3.36Å; F1080-F1084 HydrophobicContact CD2-CZ 4.49Å; F1080-F1084 HydrophobicContact CE1-CD1 4.44Å; F1080-F1084 HydrophobicContact CE2-CD1 4.05Å; F1080-F1084 HydrophobicContact CE2-CE1 4.01Å; F1080-F1084 AromaticContact CG-CD1 3.5Å; F1080-F1084 HydrophobicContact CG-CD1 3.5Å; F1080-F1084 AromaticContact CG-CE1 3.68Å; F1080-F1084 HydrophobicContact CG-CE1 3.68Å; F1080-F1084 HydrophobicContact CG-CG 4.45Å; F1080-F1084 HydrophobicContact CZ-CD1 4.47Å; F1080-P1085 VanDerWaalsContact CE1-CD 3.48Å; F1080-P1085 HydrophobicContact CE1-CG 4.16Å; F1080-T1131 WeakPolarHBondContact O-CG2 3.43Å; F1080-I1169 HydrophobicContact CD2-CD1 4.32Å; F1080-I1169 HydrophobicContact CD2-CG1 4.37Å; F1080-I1169 HydrophobicContact CE2-CD1 3.76Å; F1080-I1169 HydrophobicContact CE2-CG1 3.73Å
1081P76.1Confident84.2Confident86 Ų8658.8 Ų58.856%0.55830%0.302SS*.THydrogen-bonded Turntrans-63.8-28.8-171.725.3-35000114.4V1079 G1083 P1107V1079-P1081 WeakPolarHBondContact O-CD 3.45Å; P1081-G1083 VanDerWaalsContact C-N 3.29Å; P1081-P1107 WeakPolarHBondContact O-CD 3.32Å
1082E82.3Confident84.5Confident181 Ų18157.9 Ų57.985%0.84630%0.297SS*.THydrogen-bonded Turntrans-91.312.7174.3-60.5-62.1145.300112.7F1080F1080-E1082 VanDerWaalsContact C-N 3.29Å; F1080-E1082 PolarHBondContact O-N 2.65Å
1083G85.8Confident84.7Confident10 Ų1056.8 Ų56.810%0.10329%0.294CS..  trans88.9168.6-171.300000113.6F1080 P1081 N1105F1080-G1083 WeakPolarHBondContact O-CA 3.29Å; F1080-G1083 PolarHBondContact O-N 2.97Å; P1081-G1083 VanDerWaalsContact C-N 3.29Å; G1083-N1105 WeakPolarHBondContact CA-O 3.48Å
1084F92.9Very high85.1Confident6 Ų664.6 Ų64.63%0.02633%0.331CS..  trans-71.7146.7177.2-61.1-72.4000111.4F1080 L1088 L1089 N1105 I1129 L1137 I1169F1080-F1084 HydrophobicContact CB-CD1 3.84Å; F1080-F1084 HydrophobicContact CB-CE1 3.86Å; F1080-F1084 HydrophobicContact CB-CG 4.47Å; F1080-F1084 HydrophobicContact CB-CZ 4.49Å; F1080-F1084 AromaticContact CD1-CD1 3.98Å; F1080-F1084 HydrophobicContact CD1-CD1 3.98Å; F1080-F1084 AromaticContact CD2-CD1 3.56Å; F1080-F1084 HydrophobicContact CD2-CD1 3.56Å; F1080-F1084 AromaticContact CD2-CE1 3.36Å; F1080-F1084 HydrophobicContact CD2-CE1 3.36Å; F1080-F1084 HydrophobicContact CD2-CZ 4.49Å; F1080-F1084 HydrophobicContact CE1-CD1 4.44Å; F1080-F1084 HydrophobicContact CE2-CD1 4.05Å; F1080-F1084 HydrophobicContact CE2-CE1 4.01Å; F1080-F1084 AromaticContact CG-CD1 3.5Å; F1080-F1084 HydrophobicContact CG-CD1 3.5Å; F1080-F1084 AromaticContact CG-CE1 3.68Å; F1080-F1084 HydrophobicContact CG-CE1 3.68Å; F1080-F1084 HydrophobicContact CG-CG 4.45Å; F1080-F1084 HydrophobicContact CZ-CD1 4.47Å; F1084-L1088 HydrophobicContact CB-CD2 4.33Å; F1084-L1088 HydrophobicContact CD1-CD2 4.02Å; F1084-L1088 HydrophobicContact CG-CD2 4.41Å; F1084-L1089 HydrophobicContact CB-CD2 3.98Å; F1084-L1089 HydrophobicContact CB-CG 4.18Å; F1084-N1105 WeakPolarHBondContact CD2-OD1 3.27Å; F1084-N1105 PolarHBondContact N-ND2 2.97Å; F1084-N1105 PolarHBondContact N-OD1 3.18Å; F1084-N1105 PolarHBondContact O-ND2 2.93Å; F1084-I1129 HydrophobicContact CD2-CG2 3.92Å; F1084-I1129 HydrophobicContact CE2-CG2 4.11Å; F1084-L1137 HydrophobicContact CD1-CD1 4.06Å; F1084-L1137 HydrophobicContact CD2-CD1 4.05Å; F1084-L1137 HydrophobicContact CD2-CG 4.16Å; F1084-L1137 HydrophobicContact CE1-CB 3.98Å; F1084-L1137 HydrophobicContact CE1-CD1 3.88Å; F1084-L1137 HydrophobicContact CE1-CG 4.12Å; F1084-L1137 HydrophobicContact CE2-CB 3.96Å; F1084-L1137 HydrophobicContact CE2-CD1 3.88Å; F1084-L1137 HydrophobicContact CE2-CG 3.55Å; F1084-L1137 HydrophobicContact CG-CD1 4.16Å; F1084-L1137 HydrophobicContact CZ-CB 3.43Å; F1084-L1137 VanDerWaalsContact CZ-CB 3.43Å; F1084-L1137 HydrophobicContact CZ-CD1 3.8Å; F1084-L1137 HydrophobicContact CZ-CG 3.54Å; F1084-I1169 HydrophobicContact CD1-CD1 4.18Å; F1084-I1169 HydrophobicContact CE1-CD1 3.69Å
1085P90.4Very high85.9Confident50 Ų5063 Ų6333%0.32532%0.322SS..  trans-67.5148.2179.227.4-34.3000111.6F1080 E1087 L1088 L1089 Y1167F1080-P1085 VanDerWaalsContact CE1-CD 3.48Å; F1080-P1085 HydrophobicContact CE1-CG 4.16Å; P1085-E1087 VanDerWaalsContact C-N 3.25Å; P1085-E1087 PolarHBondContact O-N 2.68Å; P1085-L1088 HydrophobicContact CG-CB 4.19Å; P1085-L1088 PolarHBondContact O-N 2.89Å; P1085-L1089 PolarHBondContact O-N 3.05Å; P1085-Y1167 HydrophobicContact CG-CD1 4.15Å; P1085-Y1167 HydrophobicContact CG-CE1 3.54Å
1086Q88.4Confident87Confident97 Ų9761.3 Ų61.345%0.45331%0.312SS..Hα-helixtrans-55.4-39.4-175.7-16764.851.600112.5L1088 L1089 D1090Q1086-L1088 VanDerWaalsContact C-N 3.27Å; Q1086-L1088 PolarHBondContact O-N 3.35Å; Q1086-L1089 CarbonylContact O-C 3.51Å; Q1086-L1089 PolarHBondContact O-N 2.91Å; Q1086-L1089 VanDerWaalsContact O-N 3.09Å; Q1086-D1090 PolarHBondContact NE2-OD1 2.95Å; Q1086-D1090 WeakPolarHBondContact O-CB 2.93Å; Q1086-D1090 PolarHBondContact O-N 3.33Å
1087E89.2Confident88.1Confident138 Ų13862.7 Ų62.765%0.64533%0.334SS*.Hα-helixtrans-61.6-29.4179-66.9179.9-172.100113.9P1085 Q1091 Y1167P1085-E1087 VanDerWaalsContact C-N 3.25Å; P1085-E1087 PolarHBondContact O-N 2.68Å; E1087-Q1091 WeakPolarHBondContact O-CG 3.45Å; E1087-Q1091 PolarHBondContact O-NE2 3.38Å; E1087-Y1167 WeakPolarHBondContact CB-OH 3.3Å
1088L91.7Very high88.9Confident0 Ų064 Ų640%034%0.338CS..Hα-helixtrans-77-42.1172.7177.258.1000110.8F1084 P1085 Q1086 Q1091 I1092 L1137 I1161 T1162 Y1167 I1169F1084-L1088 HydrophobicContact CB-CD2 4.33Å; F1084-L1088 HydrophobicContact CD1-CD2 4.02Å; F1084-L1088 HydrophobicContact CG-CD2 4.41Å; P1085-L1088 HydrophobicContact CG-CB 4.19Å; P1085-L1088 PolarHBondContact O-N 2.89Å; Q1086-L1088 VanDerWaalsContact C-N 3.27Å; Q1086-L1088 PolarHBondContact O-N 3.35Å; L1088-Q1091 PolarHBondContact O-N 2.99Å; L1088-I1092 HydrophobicContact CD1-CD1 4.13Å; L1088-I1092 HydrophobicContact CD1-CG1 4.49Å; L1088-I1092 HydrophobicContact CG-CD1 4.04Å; L1088-I1092 VanDerWaalsContact O-CG1 3.27Å; L1088-I1092 WeakPolarHBondContact O-CG1 3.48Å; L1088-I1092 PolarHBondContact O-N 2.89Å; L1088-I1092 VanDerWaalsContact O-N 3.15Å; L1088-L1137 HydrophobicContact CD2-CD1 4.3Å; L1088-I1161 HydrophobicContact CD1-CD1 3.73Å; L1088-I1161 HydrophobicContact CD1-CG1 4.27Å; L1088-T1162 HydrophobicContact CD1-CG2 4.01Å; L1088-T1162 HydrophobicContact CD2-CG2 4.34Å; L1088-Y1167 HydrophobicContact CB-CD1 4.13Å; L1088-Y1167 HydrophobicContact CB-CD2 4.41Å; L1088-Y1167 HydrophobicContact CB-CE1 3.94Å; L1088-Y1167 HydrophobicContact CB-CE2 4.22Å; L1088-Y1167 HydrophobicContact CB-CG 4.37Å; L1088-Y1167 HydrophobicContact CD1-CD2 3.92Å; L1088-Y1167 HydrophobicContact CD1-CE2 4.36Å; L1088-Y1167 HydrophobicContact CD1-CG 4.08Å; L1088-Y1167 HydrophobicContact CD2-CD1 4.04Å; L1088-Y1167 HydrophobicContact CD2-CG 4.06Å; L1088-Y1167 HydrophobicContact CG-CD1 4.5Å; L1088-Y1167 HydrophobicContact CG-CG 4.4Å; L1088-I1169 HydrophobicContact CD2-CD1 4.27Å
1089L94.2Very high89.6Confident1 Ų160.6 Ų60.61%0.00533%0.333CS..Hα-helixtrans-65.2-40.2178.4-62.1177.6000111.8F1084 P1085 Q1086 Q1091 I1092 S1093 I1100 M1102 N1105 I1129F1084-L1089 HydrophobicContact CB-CD2 3.98Å; F1084-L1089 HydrophobicContact CB-CG 4.18Å; P1085-L1089 PolarHBondContact O-N 3.05Å; Q1086-L1089 CarbonylContact O-C 3.51Å; Q1086-L1089 PolarHBondContact O-N 2.91Å; Q1086-L1089 VanDerWaalsContact O-N 3.09Å; L1089-Q1091 PolarHBondContact O-N 3.17Å; L1089-I1092 PolarHBondContact O-N 3.17Å; L1089-S1093 WeakPolarHBondContact O-CB 3.49Å; L1089-S1093 PolarHBondContact O-N 3.26Å; L1089-I1100 HydrophobicContact CB-CD1 3.77Å; L1089-I1100 HydrophobicContact CD2-CD1 4.15Å; L1089-I1100 HydrophobicContact CD2-CG2 4.46Å; L1089-I1100 WeakPolarHBondContact O-CD1 3.43Å; L1089-M1102 HydrophobicContact CD1-CE 3.73Å; L1089-M1102 HydrophobicContact CD1-SD 4Å; L1089-N1105 HydrophobicContact CD1-CB 4.47Å; L1089-I1129 HydrophobicContact CD2-CB 4.43Å; L1089-I1129 HydrophobicContact CD2-CD1 4.14Å; L1089-I1129 HydrophobicContact CD2-CG2 4.11Å
1090D91.9Very high90.4Very high82 Ų8257.7 Ų57.744%0.43931%0.314SS..Hα-helixtrans-61.8-41.7177.5-69.5-12000111.2Q1086 S1093 E1094Q1086-D1090 PolarHBondContact NE2-OD1 2.95Å; Q1086-D1090 WeakPolarHBondContact O-CB 2.93Å; Q1086-D1090 PolarHBondContact O-N 3.33Å; D1090-S1093 PolarHBondContact O-N 2.94Å; D1090-E1094 WeakPolarHBondContact O-CB 3.44Å; D1090-E1094 PolarHBondContact O-N 3.39Å
1091Q93Very high90.9Very high65 Ų6556.5 Ų56.530%0.30431%0.31SS..Hα-helixtrans-62.8-42.5173.7-75171.388.900112.4E1087 L1088 L1089 S1093 F1095 I1161E1087-Q1091 WeakPolarHBondContact O-CG 3.45Å; E1087-Q1091 PolarHBondContact O-NE2 3.38Å; L1088-Q1091 PolarHBondContact O-N 2.99Å; L1089-Q1091 PolarHBondContact O-N 3.17Å; Q1091-S1093 VanDerWaalsContact C-N 3.33Å; Q1091-F1095 WeakPolarHBondContact O-CB 3.39Å; Q1091-F1095 PolarHBondContact O-N 2.78Å; Q1091-I1161 HydrophobicContact CB-CD1 3.95Å
1092I95.3Very high91.5Very high0 Ų056.6 Ų56.60%030%0.304CS..Hα-helixtrans-66.7-37.7177.2-61165.1000110.4L1088 L1089 S1096 I1100 L1127 I1129 L1137 I1154 V1158 I1161L1088-I1092 HydrophobicContact CD1-CD1 4.13Å; L1088-I1092 HydrophobicContact CD1-CG1 4.49Å; L1088-I1092 HydrophobicContact CG-CD1 4.04Å; L1088-I1092 VanDerWaalsContact O-CG1 3.27Å; L1088-I1092 WeakPolarHBondContact O-CG1 3.48Å; L1088-I1092 PolarHBondContact O-N 2.89Å; L1088-I1092 VanDerWaalsContact O-N 3.15Å; L1089-I1092 PolarHBondContact O-N 3.17Å; I1092-S1096 VanDerWaalsContact O-CB 3.22Å; I1092-S1096 WeakPolarHBondContact O-CB 3.26Å; I1092-S1096 PolarHBondContact O-N 3.1Å; I1092-S1096 PolarHBondContact O-OG 3.37Å; I1092-I1100 HydrophobicContact CB-CD1 4.41Å; I1092-L1127 HydrophobicContact CG2-CD1 3.92Å; I1092-I1129 HydrophobicContact CB-CD1 4.4Å; I1092-I1129 HydrophobicContact CD1-CD1 4.18Å; I1092-I1129 HydrophobicContact CG2-CD1 3.74Å; I1092-L1137 HydrophobicContact CD1-CD1 4.19Å; I1092-I1154 HydrophobicContact CG2-CG2 4.15Å; I1092-V1158 HydrophobicContact CB-CG2 4.46Å; I1092-V1158 HydrophobicContact CD1-CG1 3.91Å; I1092-V1158 HydrophobicContact CD1-CG2 3.91Å; I1092-V1158 HydrophobicContact CG1-CG1 4.38Å; I1092-V1158 HydrophobicContact CG1-CG2 3.71Å; I1092-V1158 HydrophobicContact CG2-CG2 3.95Å; I1092-I1161 HydrophobicContact CG1-CD1 4.34Å
1093S92.7Very high91.8Very high36 Ų3649.8 Ų49.825%0.25228%0.282SS..Hα-helixtrans-67.6-45.4176.3-173.10000112L1089 D1090 Q1091 S1096 G1097 R1098L1089-S1093 WeakPolarHBondContact O-CB 3.49Å; L1089-S1093 PolarHBondContact O-N 3.26Å; D1090-S1093 PolarHBondContact O-N 2.94Å; Q1091-S1093 VanDerWaalsContact C-N 3.33Å; S1093-S1096 PolarHBondContact O-N 2.93Å; S1093-S1096 PolarHBondContact O-OG 2.94Å; S1093-G1097 WeakPolarHBondContact O-CA 3.42Å; S1093-G1097 PolarHBondContact O-N 3.41Å; S1093-R1098 VanDerWaalsContact CA-O 3.3Å; S1093-R1098 WeakPolarHBondContact CA-O 3.43Å; S1093-R1098 WeakPolarHBondContact CB-O 3.44Å; S1093-R1098 PolarHBondContact O-N 3.07Å; S1093-R1098 PolarHBondContact OG-O 2.95Å
1094E92.5Very high92.1Very high169 Ų16949.3 Ų49.379%0.7928%0.277SS*.Hα-helixtrans-64.2-43.3177.5-174.8173-162.800111.8D1090D1090-E1094 WeakPolarHBondContact O-CB 3.44Å; D1090-E1094 PolarHBondContact O-N 3.39Å
1095F94.6Very high92.1Very high83 Ų8350 Ų5036%0.36428%0.281SS..Hα-helixtrans-68.9-40.7177.8178.2-91.1000113.3Q1091 K1153 Y1157Q1091-F1095 WeakPolarHBondContact O-CB 3.39Å; Q1091-F1095 PolarHBondContact O-N 2.78Å; F1095-K1153 HydrophobicContact CE1-CG 4.34Å; F1095-K1153 HydrophobicContact CZ-CG 4.23Å; F1095-Y1157 HydrophobicContact CB-CD1 3.58Å; F1095-Y1157 HydrophobicContact CB-CE1 3.29Å; F1095-Y1157 HydrophobicContact CB-CE2 4.28Å; F1095-Y1157 HydrophobicContact CB-CG 4.19Å; F1095-Y1157 AromaticContact CD1-CD1 3.4Å; F1095-Y1157 HydrophobicContact CD1-CD1 3.4Å; F1095-Y1157 VanDerWaalsContact CD1-CD1 3.4Å; F1095-Y1157 HydrophobicContact CD1-CD2 4.28Å; F1095-Y1157 HydrophobicContact CD1-CE1 4.09Å; F1095-Y1157 AromaticContact CD1-CG 3.51Å; F1095-Y1157 HydrophobicContact CD1-CG 3.51Å; F1095-Y1157 AromaticContact CD2-CD1 3.89Å; F1095-Y1157 HydrophobicContact CD2-CD1 3.89Å; F1095-Y1157 AromaticContact CD2-CD2 3.45Å; F1095-Y1157 HydrophobicContact CD2-CD2 3.45Å; F1095-Y1157 VanDerWaalsContact CD2-CD2 3.45Å; F1095-Y1157 HydrophobicContact CD2-CE1 4.08Å; F1095-Y1157 AromaticContact CD2-CE2 3.66Å; F1095-Y1157 HydrophobicContact CD2-CE2 3.66Å; F1095-Y1157 AromaticContact CD2-CG 3.57Å; F1095-Y1157 HydrophobicContact CD2-CG 3.57Å; F1095-Y1157 AromaticContact CD2-CZ 3.96Å; F1095-Y1157 HydrophobicContact CE1-CD1 4.03Å; F1095-Y1157 HydrophobicContact CE1-CD2 4.4Å; F1095-Y1157 AromaticContact CE1-CG 3.67Å; F1095-Y1157 HydrophobicContact CE1-CG 3.67Å; F1095-Y1157 HydrophobicContact CE2-CD1 4.45Å; F1095-Y1157 AromaticContact CE2-CD2 3.58Å; F1095-Y1157 HydrophobicContact CE2-CD2 3.58Å; F1095-Y1157 HydrophobicContact CE2-CE2 4.2Å; F1095-Y1157 AromaticContact CE2-CG 3.72Å; F1095-Y1157 HydrophobicContact CE2-CG 3.72Å; F1095-Y1157 AromaticContact CG-CD1 3.32Å; F1095-Y1157 HydrophobicContact CG-CD1 3.32Å; F1095-Y1157 AromaticContact CG-CD2 3.82Å; F1095-Y1157 HydrophobicContact CG-CD2 3.82Å; F1095-Y1157 AromaticContact CG-CE1 3.56Å; F1095-Y1157 HydrophobicContact CG-CE1 3.56Å; F1095-Y1157 HydrophobicContact CG-CE2 4.03Å; F1095-Y1157 AromaticContact CG-CG 3.46Å; F1095-Y1157 HydrophobicContact CG-CG 3.46Å; F1095-Y1157 VanDerWaalsContact CG-CG 3.46Å; F1095-Y1157 AromaticContact CG-CZ 3.9Å; F1095-Y1157 VanDerWaalsContact CZ-CB 3.47Å; F1095-Y1157 HydrophobicContact CZ-CD2 4.06Å; F1095-Y1157 AromaticContact CZ-CG 3.76Å; F1095-Y1157 HydrophobicContact CZ-CG 3.76Å
1096S93.1Very high92Very high15 Ų1551.7 Ų51.711%0.10528%0.283CS..Hα-helixtrans-77-23.4179.561.40000113.3I1092 S1093 R1098I1092-S1096 VanDerWaalsContact O-CB 3.22Å; I1092-S1096 WeakPolarHBondContact O-CB 3.26Å; I1092-S1096 PolarHBondContact O-N 3.1Å; I1092-S1096 PolarHBondContact O-OG 3.37Å; S1093-S1096 PolarHBondContact O-N 2.93Å; S1093-S1096 PolarHBondContact O-OG 2.94Å; S1096-R1098 PolarHBondContact O-N 3.36Å; S1096-R1098 PolarHBondContact OG-N 3.12Å
1097G90.4Very high91.8Very high70 Ų7049.9 Ų49.972%0.72228%0.28SS*.THydrogen-bonded Turntrans69.217.8-170.500000113.7S1093S1093-G1097 WeakPolarHBondContact O-CA 3.42Å; S1093-G1097 PolarHBondContact O-N 3.41Å
1098R92.9Very high91.6Very high49 Ų4945.5 Ų45.519%0.18526%0.258CS..SBendtrans-125.5150.9-176.5-65176.3-179.7-98.79.8110.5S1093 S1096 G1125 L1127 I1145 E1150S1093-R1098 VanDerWaalsContact CA-O 3.3Å; S1093-R1098 WeakPolarHBondContact CA-O 3.43Å; S1093-R1098 WeakPolarHBondContact CB-O 3.44Å; S1093-R1098 PolarHBondContact O-N 3.07Å; S1093-R1098 PolarHBondContact OG-O 2.95Å; S1096-R1098 PolarHBondContact O-N 3.36Å; S1096-R1098 PolarHBondContact OG-N 3.12Å; R1098-G1125 WeakPolarHBondContact CD-O 3.33Å; R1098-G1125 PolarHBondContact NH1-O 2.86Å; R1098-L1127 HydrophobicContact CB-CG 4.46Å; R1098-I1145 PolarHBondContact NH1-O 3.23Å; R1098-I1145 VanDerWaalsContact NH1-O 3.16Å; R1098-I1145 PolarHBondContact NH2-O 3.09Å; R1098-E1150 IonicContact CZ-OE1 3.62Å; R1098-E1150 IonicContact CZ-OE2 2.73Å; R1098-E1150 IonicContact NE-OE1 3.61Å; R1098-E1150 PolarHBondContact NE-OE1 2.91Å; R1098-E1150 IonicContact NE-OE2 3.58Å; R1098-E1150 IonicContact NH2-OE1 3.58Å; R1098-E1150 PolarHBondContact NH2-OE1 3.2Å; R1098-E1150 VanDerWaalsContact NH2-OE1 3.15Å; R1098-E1150 IonicContact NH2-OE2 3.34Å; R1098-E1150 PolarHBondContact NH2-OE2 3.28Å
1099G92.2Very high91Very high25 Ų2548.1 Ų48.126%0.25828%0.276SS..  trans-73.5-179.2170.600000111.8D1126 L1127G1099-D1126 WeakPolarHBondContact CA-OD1 3.11Å; G1099-D1126 PolarHBondContact N-OD1 3.09Å; G1099-D1126 CarbonylContact O-C 3.54Å; G1099-D1126 VanDerWaalsContact O-CA 3.31Å; G1099-D1126 WeakPolarHBondContact O-CA 3.34Å; G1099-D1126 VanDerWaalsContact O-CB 3.3Å; G1099-D1126 WeakPolarHBondContact O-CB 3.48Å; G1099-L1127 PolarHBondContact O-N 3.39Å
1100I95Very high90.2Very high20 Ų2048.5 Ų48.510%0.10328%0.28CS..BIsolated β-bridgetrans-132.4133.3-178.8-66.1162.2000108.4L1089 I1092 M1102 L1127 I1129L1089-I1100 HydrophobicContact CB-CD1 3.77Å; L1089-I1100 HydrophobicContact CD2-CD1 4.15Å; L1089-I1100 HydrophobicContact CD2-CG2 4.46Å; L1089-I1100 WeakPolarHBondContact O-CD1 3.43Å; I1092-I1100 HydrophobicContact CB-CD1 4.41Å; I1100-M1102 HydrophobicContact CB-SD 4.46Å; I1100-M1102 HydrophobicContact CG2-SD 4.23Å; I1100-M1102 PolarHBondContact O-N 3.06Å; I1100-L1127 WeakPolarHBondContact CA-O 3.48Å; I1100-L1127 HydrophobicContact CG1-CB 4.26Å; I1100-I1129 HydrophobicContact CD1-CD1 3.77Å; I1100-I1129 HydrophobicContact CG1-CD1 3.92Å; I1100-I1129 HydrophobicContact CG2-CB 4.18Å; I1100-I1129 HydrophobicContact CG2-CD1 4.2Å; I1100-I1129 HydrophobicContact CG2-CG1 4.13Å
1101I94.3Very high89.7Confident4 Ų447.8 Ų47.82%0.02128%0.279CS..  trans-7689.7178.7-58.7-177000108.8G1103 A1104 F1117 E1120 Q1121 D1126 L1127 I1128I1101-G1103 PolarHBondContact O-N 3Å; I1101-A1104 WeakPolarHBondContact O-CB 3.48Å; I1101-A1104 PolarHBondContact O-N 3.19Å; I1101-F1117 HydrophobicContact CD1-CB 4.35Å; I1101-F1117 HydrophobicContact CG2-CB 4.24Å; I1101-F1117 HydrophobicContact CG2-CD1 3.57Å; I1101-F1117 HydrophobicContact CG2-CE1 4.17Å; I1101-F1117 HydrophobicContact CG2-CG 4Å; I1101-E1120 HydrophobicContact CD1-CB 4.05Å; I1101-E1120 HydrophobicContact CD1-CG 3.93Å; I1101-Q1121 HydrophobicContact CD1-CB 3.84Å; I1101-Q1121 HydrophobicContact CD1-CG 4.42Å; I1101-D1126 HydrophobicContact CD1-CB 4.47Å; I1101-D1126 HydrophobicContact CG1-CB 3.83Å; I1101-L1127 PolarHBondContact N-O 2.86Å; I1101-I1128 HydrophobicContact CD1-CG1 4.03Å
1102M89.7Confident89.4Confident88 Ų8849.6 Ų49.643%0.43329%0.287SS..G310 helixtrans-56.9-25-174.8-62.1-56.8-64.900113.7L1089 I1100 A1104 N1105L1089-M1102 HydrophobicContact CD1-CE 3.73Å; L1089-M1102 HydrophobicContact CD1-SD 4Å; I1100-M1102 HydrophobicContact CB-SD 4.46Å; I1100-M1102 HydrophobicContact CG2-SD 4.23Å; I1100-M1102 PolarHBondContact O-N 3.06Å; M1102-A1104 PolarHBondContact O-N 2.77Å; M1102-N1105 PolarHBondContact O-N 3.4Å
1103G87.4Confident89.1Confident38 Ų3849.6 Ų49.639%0.39229%0.287SS..G310 helixtrans-64.5-21.3174.100000114.7I1101 K1106 F1117I1101-G1103 PolarHBondContact O-N 3Å; G1103-K1106 WeakPolarHBondContact O-CE 3.24Å; G1103-K1106 PolarHBondContact O-NZ 3.35Å; G1103-F1117 VanDerWaalsContact O-CZ 3.23Å; G1103-F1117 WeakPolarHBondContact O-CZ 3.13Å
1104A91.9Very high89Confident0 Ų048.1 Ų48.10%028%0.277CS..G310 helixtrans-90-16.3178.100000113.8I1101 M1102 K1106 V1113 F1117 I1128 I1129 Y1130I1101-A1104 WeakPolarHBondContact O-CB 3.48Å; I1101-A1104 PolarHBondContact O-N 3.19Å; M1102-A1104 PolarHBondContact O-N 2.77Å; A1104-K1106 VanDerWaalsContact C-N 3.27Å; A1104-K1106 PolarHBondContact O-N 2.82Å; A1104-V1113 HydrophobicContact CB-CG2 3.93Å; A1104-F1117 HydrophobicContact CB-CD2 3.7Å; A1104-F1117 HydrophobicContact CB-CE2 3.8Å; A1104-F1117 HydrophobicContact CB-CG 4.27Å; A1104-F1117 HydrophobicContact CB-CZ 4.44Å; A1104-I1128 HydrophobicContact CB-CG2 3.79Å; A1104-I1129 CarbonylContact C-O 3.56Å; A1104-I1129 VanDerWaalsContact C-O 3.28Å; A1104-Y1130 WeakPolarHBondContact O-CB 3.46Å
1105N92.8Very high88.8Confident21 Ų2147 Ų4711%0.11227%0.269CS..  trans-71.775.4-175.4-177.445.6000112.4G1083 F1084 L1089 M1102 I1129G1083-N1105 WeakPolarHBondContact CA-O 3.48Å; F1084-N1105 WeakPolarHBondContact CD2-OD1 3.27Å; F1084-N1105 PolarHBondContact N-ND2 2.97Å; F1084-N1105 PolarHBondContact N-OD1 3.18Å; F1084-N1105 PolarHBondContact O-ND2 2.93Å; L1089-N1105 HydrophobicContact CD1-CB 4.47Å; M1102-N1105 PolarHBondContact O-N 3.4Å; N1105-I1129 WeakPolarHBondContact CA-O 3.49Å; N1105-I1129 PolarHBondContact N-O 3.01Å
1106K88.8Confident88.6Confident84 Ų8446.7 Ų46.737%0.36527%0.271SS..SBendtrans-169.4175-179.763.3-162.1-178.9-150.30109.3G1103 A1104 Y1108 T1131G1103-K1106 WeakPolarHBondContact O-CE 3.24Å; G1103-K1106 PolarHBondContact O-NZ 3.35Å; A1104-K1106 VanDerWaalsContact C-N 3.27Å; A1104-K1106 PolarHBondContact O-N 2.82Å; K1106-Y1108 HydrophobicContact CD-CD2 4.47Å; K1106-Y1108 HydrophobicContact CG-CD2 4.03Å; K1106-Y1108 PolarHBondContact O-N 2.93Å; K1106-T1131 PolarHBondContact O-N 3.25Å; K1106-T1131 VanDerWaalsContact O-N 3.09Å
1107P84.1Confident88.7Confident60 Ų6047.2 Ų47.239%0.3927%0.272SS..BIsolated β-bridgetrans-57.5124.2168.5-26.835.6000111.7P1081 T1131P1081-P1107 WeakPolarHBondContact O-CD 3.32Å; P1107-T1131 WeakPolarHBondContact CA-O 3.33Å; P1107-T1131 HydrophobicContact CB-CG2 4.47Å; P1107-T1131 HydrophobicContact CG-CG2 3.99Å
1108Y85.6Confident88.8Confident46 Ų4643.9 Ų43.918%0.1824%0.237CC..  trans-146.2140.9-178-129.8-62.3000113K1106 G1110 E1112 V1113 D1116 F1117 Y1130 T1131K1106-Y1108 HydrophobicContact CD-CD2 4.47Å; K1106-Y1108 HydrophobicContact CG-CD2 4.03Å; K1106-Y1108 PolarHBondContact O-N 2.93Å; Y1108-G1110 PolarHBondContact O-N 2.81Å; Y1108-E1112 HydrophobicContact CD1-CB 4.04Å; Y1108-E1112 HydrophobicContact CE1-CB 3.66Å; Y1108-V1113 HydrophobicContact CD1-CB 3.63Å; Y1108-V1113 HydrophobicContact CD1-CG2 4.13Å; Y1108-V1113 HydrophobicContact CD2-CB 4.32Å; Y1108-V1113 HydrophobicContact CD2-CG2 3.89Å; Y1108-V1113 HydrophobicContact CE1-CB 4.23Å; Y1108-V1113 HydrophobicContact CE2-CG2 4.43Å; Y1108-V1113 HydrophobicContact CG-CB 3.71Å; Y1108-V1113 HydrophobicContact CG-CG2 3.74Å; Y1108-D1116 PolarHBondContact OH-OD2 3.1Å; Y1108-F1117 HydrophobicContact CD2-CE2 4.33Å; Y1108-F1117 AromaticContact CE2-CE2 3.62Å; Y1108-F1117 HydrophobicContact CE2-CE2 3.62Å; Y1108-F1117 HydrophobicContact CE2-CZ 4.4Å; Y1108-Y1130 WeakPolarHBondContact O-CD2 3.37Å; Y1108-Y1130 WeakPolarHBondContact O-CE2 3.38Å; Y1108-T1131 PolarHBondContact N-O 3.29Å
1109S79.3Confident88.8Confident55 Ų5545.7 Ų45.739%0.38525%0.248SC..  trans-66.5125.8165178.90000110.9T1111 E1112 V1113S1109-T1111 PolarHBondContact O-N 2.9Å; S1109-T1111 PolarHBondContact OG-OG1 3.34Å; S1109-E1112 WeakPolarHBondContact CB-OE2 3.33Å; S1109-E1112 PolarHBondContact O-N 2.92Å; S1109-V1113 PolarHBondContact O-N 3.39Å
1110G77.6Confident88.9Confident8 Ų848.9 Ų48.98%0.08226%0.256CS..THydrogen-bonded Turntrans-64.5-4.8-177.600000116.2Y1108 Y1130 R1186Y1108-G1110 PolarHBondContact O-N 2.81Å; G1110-Y1130 VanDerWaalsContact CA-OH 3.31Å; G1110-Y1130 WeakPolarHBondContact CA-OH 3.47Å; G1110-R1186 WeakPolarHBondContact O-CD 3.3Å
1111T81.6Confident88.9Confident67 Ų6747.9 Ų47.941%0.41125%0.251SS..THydrogen-bonded Turntrans-95.8-30.8167.345.50000112.9S1109 I1114 K1115 R1186S1109-T1111 PolarHBondContact O-N 2.9Å; S1109-T1111 PolarHBondContact OG-OG1 3.34Å; T1111-I1114 WeakPolarHBondContact O-CG1 3.39Å; T1111-K1115 WeakPolarHBondContact O-CB 3.34Å; T1111-K1115 PolarHBondContact O-N 2.67Å; T1111-R1186 VanDerWaalsContact CG2-CZ 3.49Å
1112E84.8Confident88.9Confident104 Ų10449.9 Ų49.949%0.48626%0.261SS..Hα-helixtrans-82.1-36.1-178.7-59.8179122.400110.2Y1108 S1109 I1114 K1115 D1116Y1108-E1112 HydrophobicContact CD1-CB 4.04Å; Y1108-E1112 HydrophobicContact CE1-CB 3.66Å; S1109-E1112 WeakPolarHBondContact CB-OE2 3.33Å; S1109-E1112 PolarHBondContact O-N 2.92Å; E1112-I1114 VanDerWaalsContact C-N 3.33Å; E1112-I1114 PolarHBondContact O-N 3.14Å; E1112-K1115 WeakPolarHBondContact O-CB 3.38Å; E1112-K1115 PolarHBondContact O-N 3.45Å; E1112-K1115 VanDerWaalsContact O-N 3.09Å; E1112-D1116 WeakPolarHBondContact O-CB 3.45Å; E1112-D1116 PolarHBondContact O-N 3.41Å
1113V89.9Confident89Confident0 Ų052.7 Ų52.70%027%0.271CS..Hα-helixtrans-61.8-38.8177.680.80000112.4A1104 Y1108 S1109 F1117 I1128 Y1130A1104-V1113 HydrophobicContact CB-CG2 3.93Å; Y1108-V1113 HydrophobicContact CD1-CB 3.63Å; Y1108-V1113 HydrophobicContact CD1-CG2 4.13Å; Y1108-V1113 HydrophobicContact CD2-CB 4.32Å; Y1108-V1113 HydrophobicContact CD2-CG2 3.89Å; Y1108-V1113 HydrophobicContact CE1-CB 4.23Å; Y1108-V1113 HydrophobicContact CE2-CG2 4.43Å; Y1108-V1113 HydrophobicContact CG-CB 3.71Å; Y1108-V1113 HydrophobicContact CG-CG2 3.74Å; S1109-V1113 PolarHBondContact O-N 3.39Å; V1113-F1117 HydrophobicContact CG2-CD2 3.82Å; V1113-F1117 HydrophobicContact CG2-CE2 4.29Å; V1113-F1117 WeakPolarHBondContact O-CB 3.46Å; V1113-F1117 WeakPolarHBondContact O-CD2 3.25Å; V1113-F1117 PolarHBondContact O-N 2.66Å; V1113-I1128 HydrophobicContact CB-CG2 4.46Å; V1113-I1128 HydrophobicContact CG1-CG2 4.22Å; V1113-I1128 HydrophobicContact CG2-CG2 3.49Å; V1113-I1128 VanDerWaalsContact CG2-CG2 3.49Å; V1113-Y1130 HydrophobicContact CG1-CD1 4.06Å; V1113-Y1130 HydrophobicContact CG1-CD2 4.37Å; V1113-Y1130 HydrophobicContact CG1-CE1 3.76Å; V1113-Y1130 HydrophobicContact CG1-CE2 4.08Å; V1113-Y1130 HydrophobicContact CG1-CG 4.35Å; V1113-Y1130 HydrophobicContact CG2-CD1 4.25Å; V1113-Y1130 HydrophobicContact CG2-CG 4.19Å
1114I90.3Very high89.2Confident5 Ų554.4 Ų54.43%0.02627%0.274CS..Hα-helixtrans-77-25.6176.364.6170.6000112.2T1111 E1112 G1118 A1140 Y1177 F1184 R1186T1111-I1114 WeakPolarHBondContact O-CG1 3.39Å; E1112-I1114 VanDerWaalsContact C-N 3.33Å; E1112-I1114 PolarHBondContact O-N 3.14Å; I1114-G1118 WeakPolarHBondContact O-CA 3.32Å; I1114-G1118 PolarHBondContact O-N 3.01Å; I1114-A1140 HydrophobicContact CG2-CB 4.02Å; I1114-Y1177 HydrophobicContact CB-CD1 4.22Å; I1114-Y1177 HydrophobicContact CB-CE1 4.28Å; I1114-Y1177 HydrophobicContact CB-CG 4.4Å; I1114-Y1177 HydrophobicContact CD1-CG 4.4Å; I1114-Y1177 HydrophobicContact CG2-CD1 3.52Å; I1114-Y1177 HydrophobicContact CG2-CE1 3.67Å; I1114-Y1177 HydrophobicContact CG2-CG 4.11Å; I1114-F1184 HydrophobicContact CD1-CB 4Å; I1114-F1184 HydrophobicContact CG1-CB 4.31Å; I1114-F1184 WeakPolarHBondContact O-CD2 3.35Å; I1114-R1186 HydrophobicContact CD1-CG 3.66Å
1115K88.8Confident89.2Confident144 Ų14455 Ų5563%0.62628%0.28SS*.Hα-helixtrans-72.5-41.8175176-163.8162.5-133.50110.8T1111 E1112T1111-K1115 WeakPolarHBondContact O-CB 3.34Å; T1111-K1115 PolarHBondContact O-N 2.67Å; E1112-K1115 WeakPolarHBondContact O-CB 3.38Å; E1112-K1115 PolarHBondContact O-N 3.45Å; E1112-K1115 VanDerWaalsContact O-N 3.09Å
1116D90Very high89.3Confident78 Ų7855.7 Ų55.742%0.41728%0.284SS..Hα-helixtrans-84.3-36.5-174.6-64.7-6.1000111.9Y1108 E1112Y1108-D1116 PolarHBondContact OH-OD2 3.1Å; E1112-D1116 WeakPolarHBondContact O-CB 3.45Å; E1112-D1116 PolarHBondContact O-N 3.41Å
1117F94.6Very high89.7Confident25 Ų2551.7 Ų51.711%0.1127%0.266CS..Hα-helixtrans-112.4-7.2-178-56.7-69.9000115.4I1101 G1103 A1104 Y1108 V1113 E1119 E1120 Q1121 I1128I1101-F1117 HydrophobicContact CD1-CB 4.35Å; I1101-F1117 HydrophobicContact CG2-CB 4.24Å; I1101-F1117 HydrophobicContact CG2-CD1 3.57Å; I1101-F1117 HydrophobicContact CG2-CE1 4.17Å; I1101-F1117 HydrophobicContact CG2-CG 4Å; G1103-F1117 VanDerWaalsContact O-CZ 3.23Å; G1103-F1117 WeakPolarHBondContact O-CZ 3.13Å; A1104-F1117 HydrophobicContact CB-CD2 3.7Å; A1104-F1117 HydrophobicContact CB-CE2 3.8Å; A1104-F1117 HydrophobicContact CB-CG 4.27Å; A1104-F1117 HydrophobicContact CB-CZ 4.44Å; Y1108-F1117 HydrophobicContact CD2-CE2 4.33Å; Y1108-F1117 AromaticContact CE2-CE2 3.62Å; Y1108-F1117 HydrophobicContact CE2-CE2 3.62Å; Y1108-F1117 HydrophobicContact CE2-CZ 4.4Å; V1113-F1117 HydrophobicContact CG2-CD2 3.82Å; V1113-F1117 HydrophobicContact CG2-CE2 4.29Å; V1113-F1117 WeakPolarHBondContact O-CB 3.46Å; V1113-F1117 WeakPolarHBondContact O-CD2 3.25Å; V1113-F1117 PolarHBondContact O-N 2.66Å; F1117-E1119 VanDerWaalsContact C-N 3.29Å; F1117-E1119 PolarHBondContact O-N 2.89Å; F1117-E1120 WeakPolarHBondContact O-CB 3.31Å; F1117-E1120 PolarHBondContact O-N 3.12Å; F1117-Q1121 WeakPolarHBondContact O-CB 3.19Å; F1117-Q1121 PolarHBondContact O-N 3.39Å; F1117-I1128 HydrophobicContact CB-CD1 4.02Å; F1117-I1128 HydrophobicContact CB-CG1 4.2Å
1118G93.5Very high90.3Very high0 Ų048.9 Ų48.90%025%0.248CC..Hα-helixtrans-64.1-32.2-175.500000114I1114 M1122 Y1177 F1184I1114-G1118 WeakPolarHBondContact O-CA 3.32Å; I1114-G1118 PolarHBondContact O-N 3.01Å; G1118-M1122 WeakPolarHBondContact O-CG 3.47Å; G1118-M1122 PolarHBondContact O-N 3.08Å; G1118-M1122 VanDerWaalsContact O-N 3.12Å; G1118-Y1177 WeakPolarHBondContact CA-OH 3.4Å; G1118-F1184 VanDerWaalsContact C-CE2 3.49Å
1119E92.9Very high90.9Very high88 Ų8846.7 Ų46.741%0.41124%0.239SC..Hα-helixtrans-72.4-28.9174.1-178.3179167.800112.3F1117 K1123 P1181 F1184F1117-E1119 VanDerWaalsContact C-N 3.29Å; F1117-E1119 PolarHBondContact O-N 2.89Å; E1119-K1123 HydrophobicContact CG-CD 4.46Å; E1119-K1123 VanDerWaalsContact O-CD 3.27Å; E1119-K1123 WeakPolarHBondContact O-CD 3.49Å; E1119-K1123 VanDerWaalsContact O-CG 3.24Å; E1119-K1123 WeakPolarHBondContact O-CG 3.37Å; E1119-K1123 WeakPolarHBondContact OE1-CE 3.44Å; E1119-K1123 IonicContact OE1-NZ 2.77Å; E1119-K1123 PolarHBondContact OE1-NZ 2.76Å; E1119-P1181 HydrophobicContact CB-CB 4.04Å; E1119-P1181 HydrophobicContact CB-CG 4.18Å; E1119-P1181 HydrophobicContact CG-CB 3.85Å; E1119-P1181 HydrophobicContact CG-CG 3.86Å; E1119-F1184 HydrophobicContact CB-CE2 4.47Å; E1119-F1184 HydrophobicContact CB-CZ 4.49Å
1120E93.3Very high91.6Very high91 Ų9144 Ų4443%0.42522%0.221SC..Hα-helixtrans-73.6-47.1173.5-173.6175.5174.200110.1I1101 F1117 M1122 K1123 T1124I1101-E1120 HydrophobicContact CD1-CB 4.05Å; I1101-E1120 HydrophobicContact CD1-CG 3.93Å; F1117-E1120 WeakPolarHBondContact O-CB 3.31Å; F1117-E1120 PolarHBondContact O-N 3.12Å; E1120-M1122 VanDerWaalsContact C-N 3.34Å; E1120-M1122 PolarHBondContact O-N 3.29Å; E1120-K1123 WeakPolarHBondContact O-CA 3.38Å; E1120-K1123 WeakPolarHBondContact O-CB 3.33Å; E1120-K1123 PolarHBondContact O-N 2.98Å; E1120-T1124 HydrophobicContact CG-CG2 4.44Å; E1120-T1124 PolarHBondContact O-N 3.09Å; E1120-T1124 PolarHBondContact O-OG1 2.94Å
1121Q96.1Very high92.2Very high0 Ų043.7 Ų43.70%022%0.217CC..Hα-helixtrans-53.8-44.8176.4-163.5-69.4-53.300112.6I1101 F1117 K1123 G1125 D1126 I1128 H1142 Y1177I1101-Q1121 HydrophobicContact CD1-CB 3.84Å; I1101-Q1121 HydrophobicContact CD1-CG 4.42Å; F1117-Q1121 WeakPolarHBondContact O-CB 3.19Å; F1117-Q1121 PolarHBondContact O-N 3.39Å; Q1121-K1123 VanDerWaalsContact C-N 3.26Å; Q1121-K1123 PolarHBondContact O-N 2.81Å; Q1121-G1125 WeakPolarHBondContact O-CA 3.3Å; Q1121-G1125 PolarHBondContact O-N 2.78Å; Q1121-D1126 WeakPolarHBondContact CG-O 3.45Å; Q1121-D1126 PolarHBondContact NE2-O 3.3Å; Q1121-I1128 HydrophobicContact CB-CD1 3.85Å; Q1121-I1128 HydrophobicContact CB-CG1 4.02Å; Q1121-I1128 HydrophobicContact CG-CD1 3.87Å; Q1121-I1128 HydrophobicContact CG-CG1 3.79Å; Q1121-H1142 VanDerWaalsContact OE1-CB 3.28Å; Q1121-Y1177 VanDerWaalsContact CB-OH 3.32Å; Q1121-Y1177 WeakPolarHBondContact CB-OH 3.07Å; Q1121-Y1177 WeakPolarHBondContact CG-OH 3.39Å; Q1121-Y1177 PolarHBondContact OE1-OH 3Å; Q1121-Y1177 VanDerWaalsContact OE1-OH 3.07Å
1122M93.5Very high92.1Very high45 Ų4541.9 Ų41.922%0.22221%0.207CC..Hα-helixtrans-67-24.1176-71.1-1798400114G1118 E1120 H1142 I1145 P1181 F1184G1118-M1122 WeakPolarHBondContact O-CG 3.47Å; G1118-M1122 PolarHBondContact O-N 3.08Å; G1118-M1122 VanDerWaalsContact O-N 3.12Å; E1120-M1122 VanDerWaalsContact C-N 3.34Å; E1120-M1122 PolarHBondContact O-N 3.29Å; M1122-H1142 HydrophobicContact CG-CB 4.08Å; M1122-I1145 HydrophobicContact CB-CG1 4.49Å; M1122-I1145 HydrophobicContact CG-CG1 4.21Å; M1122-P1181 HydrophobicContact SD-CG 4.46Å; M1122-F1184 HydrophobicContact SD-CE1 3.48Å; M1122-F1184 WeakPolarHBondContact SD-CE1 3.39Å; M1122-F1184 HydrophobicContact SD-CZ 3.82Å
1123K91.7Very high91.2Very high148 Ų14841.1 Ų41.164%0.64322%0.218SC*.Hα-helixtrans-90.1-34.2-178.3-71.4170.1-170.7171.10113.1E1119 E1120 Q1121E1119-K1123 HydrophobicContact CG-CD 4.46Å; E1119-K1123 VanDerWaalsContact O-CD 3.27Å; E1119-K1123 WeakPolarHBondContact O-CD 3.49Å; E1119-K1123 VanDerWaalsContact O-CG 3.24Å; E1119-K1123 WeakPolarHBondContact O-CG 3.37Å; E1119-K1123 WeakPolarHBondContact OE1-CE 3.44Å; E1119-K1123 IonicContact OE1-NZ 2.77Å; E1119-K1123 PolarHBondContact OE1-NZ 2.76Å; E1120-K1123 WeakPolarHBondContact O-CA 3.38Å; E1120-K1123 WeakPolarHBondContact O-CB 3.33Å; E1120-K1123 PolarHBondContact O-N 2.98Å; Q1121-K1123 VanDerWaalsContact C-N 3.26Å; Q1121-K1123 PolarHBondContact O-N 2.81Å
1124T92.4Very high90.1Very high74 Ų7445 Ų4545%0.45424%0.239SC..Hα-helixtrans-97-30.6-178.665.80000113E1120 D1126E1120-T1124 HydrophobicContact CG-CG2 4.44Å; E1120-T1124 PolarHBondContact O-N 3.09Å; E1120-T1124 PolarHBondContact O-OG1 2.94Å; T1124-D1126 VanDerWaalsContact C-N 3.32Å; T1124-D1126 WeakPolarHBondContact CB-OD2 3.24Å; T1124-D1126 WeakPolarHBondContact OG1-CB 3.42Å; T1124-D1126 PolarHBondContact OG1-N 2.84Å; T1124-D1126 PolarHBondContact OG1-OD2 2.94Å
1125G91.3Very high89.5Confident13 Ų1346 Ų4613%0.13425%0.246CC..  trans82.38.8-172.400000114.3R1098 Q1121R1098-G1125 WeakPolarHBondContact CD-O 3.33Å; R1098-G1125 PolarHBondContact NH1-O 2.86Å; Q1121-G1125 WeakPolarHBondContact O-CA 3.3Å; Q1121-G1125 PolarHBondContact O-N 2.78Å
1126D96.2Very high89.4Confident35 Ų3539.5 Ų39.519%0.18722%0.218CC..  trans-73.6172.3-178.5-64.3-33.9000113.3G1099 I1101 Q1121 T1124G1099-D1126 WeakPolarHBondContact CA-OD1 3.11Å; G1099-D1126 PolarHBondContact N-OD1 3.09Å; G1099-D1126 CarbonylContact O-C 3.54Å; G1099-D1126 VanDerWaalsContact O-CA 3.31Å; G1099-D1126 WeakPolarHBondContact O-CA 3.34Å; G1099-D1126 VanDerWaalsContact O-CB 3.3Å; G1099-D1126 WeakPolarHBondContact O-CB 3.48Å; I1101-D1126 HydrophobicContact CD1-CB 4.47Å; I1101-D1126 HydrophobicContact CG1-CB 3.83Å; Q1121-D1126 WeakPolarHBondContact CG-O 3.45Å; Q1121-D1126 PolarHBondContact NE2-O 3.3Å; T1124-D1126 VanDerWaalsContact C-N 3.32Å; T1124-D1126 WeakPolarHBondContact CB-OD2 3.24Å; T1124-D1126 WeakPolarHBondContact OG1-CB 3.42Å; T1124-D1126 PolarHBondContact OG1-N 2.84Å; T1124-D1126 PolarHBondContact OG1-OD2 2.94Å
1127L96.4Very high89.6Confident0 Ų035.8 Ų35.80%020%0.199CC..BIsolated β-bridgetrans-91.7134.5174-60.8169.8000111.6I1092 R1098 G1099 I1100 I1101 I1129 I1139 I1146 I1154I1092-L1127 HydrophobicContact CG2-CD1 3.92Å; R1098-L1127 HydrophobicContact CB-CG 4.46Å; G1099-L1127 PolarHBondContact O-N 3.39Å; I1100-L1127 WeakPolarHBondContact CA-O 3.48Å; I1100-L1127 HydrophobicContact CG1-CB 4.26Å; I1101-L1127 PolarHBondContact N-O 2.86Å; L1127-I1129 HydrophobicContact CB-CD1 4.3Å; L1127-I1129 HydrophobicContact CB-CG1 3.95Å; L1127-I1129 HydrophobicContact CD1-CD1 4.32Å; L1127-I1129 PolarHBondContact O-N 2.83Å; L1127-I1139 HydrophobicContact CB-CG2 4.3Å; L1127-I1139 HydrophobicContact CD2-CG2 3.88Å; L1127-I1146 HydrophobicContact CD2-CD1 3.55Å; L1127-I1154 HydrophobicContact CD1-CG2 4.22Å; L1127-I1154 HydrophobicContact CD2-CD1 4.19Å
1128I96.9Very high89.7Confident0 Ų035.5 Ų35.50%020%0.197CC..EExtended strand (participates in β ladder)trans-86.999.1164.6-60.8170.2000107.5I1101 A1104 V1113 F1117 Q1121 Y1130 I1139 A1140 Y1177I1101-I1128 HydrophobicContact CD1-CG1 4.03Å; A1104-I1128 HydrophobicContact CB-CG2 3.79Å; V1113-I1128 HydrophobicContact CB-CG2 4.46Å; V1113-I1128 HydrophobicContact CG1-CG2 4.22Å; V1113-I1128 HydrophobicContact CG2-CG2 3.49Å; V1113-I1128 VanDerWaalsContact CG2-CG2 3.49Å; F1117-I1128 HydrophobicContact CB-CD1 4.02Å; F1117-I1128 HydrophobicContact CB-CG1 4.2Å; Q1121-I1128 HydrophobicContact CB-CD1 3.85Å; Q1121-I1128 HydrophobicContact CB-CG1 4.02Å; Q1121-I1128 HydrophobicContact CG-CD1 3.87Å; Q1121-I1128 HydrophobicContact CG-CG1 3.79Å; I1128-Y1130 HydrophobicContact CG2-CD1 4.05Å; I1128-I1139 WeakPolarHBondContact O-CA 3.41Å; I1128-A1140 HydrophobicContact CB-CB 4.07Å; I1128-A1140 WeakPolarHBondContact CB-O 3.3Å; I1128-A1140 HydrophobicContact CG2-CB 4.27Å; I1128-A1140 PolarHBondContact N-O 3.04Å; I1128-A1140 VanDerWaalsContact N-O 3.14Å; I1128-A1140 PolarHBondContact O-N 3.13Å; I1128-Y1177 HydrophobicContact CD1-CE1 4.12Å
1129I97Very high89.8Confident0 Ų035.5 Ų35.50%020%0.197CC..EExtended strand (participates in β ladder)trans-102.3128.1174.9-55.6-173.7000109.4F1084 L1089 I1092 I1100 A1104 N1105 L1127 L1137 Q1138 I1139F1084-I1129 HydrophobicContact CD2-CG2 3.92Å; F1084-I1129 HydrophobicContact CE2-CG2 4.11Å; L1089-I1129 HydrophobicContact CD2-CB 4.43Å; L1089-I1129 HydrophobicContact CD2-CD1 4.14Å; L1089-I1129 HydrophobicContact CD2-CG2 4.11Å; I1092-I1129 HydrophobicContact CB-CD1 4.4Å; I1092-I1129 HydrophobicContact CD1-CD1 4.18Å; I1092-I1129 HydrophobicContact CG2-CD1 3.74Å; I1100-I1129 HydrophobicContact CD1-CD1 3.77Å; I1100-I1129 HydrophobicContact CG1-CD1 3.92Å; I1100-I1129 HydrophobicContact CG2-CB 4.18Å; I1100-I1129 HydrophobicContact CG2-CD1 4.2Å; I1100-I1129 HydrophobicContact CG2-CG1 4.13Å; A1104-I1129 CarbonylContact C-O 3.56Å; A1104-I1129 VanDerWaalsContact C-O 3.28Å; N1105-I1129 WeakPolarHBondContact CA-O 3.49Å; N1105-I1129 PolarHBondContact N-O 3.01Å; L1127-I1129 HydrophobicContact CB-CD1 4.3Å; L1127-I1129 HydrophobicContact CB-CG1 3.95Å; L1127-I1129 HydrophobicContact CD1-CD1 4.32Å; L1127-I1129 PolarHBondContact O-N 2.83Å; I1129-L1137 HydrophobicContact CG2-CD1 4.32Å; I1129-L1137 HydrophobicContact CG2-CD2 3.87Å; I1129-L1137 HydrophobicContact CG2-CG 3.94Å; I1129-Q1138 WeakPolarHBondContact CA-O 3.04Å; I1129-I1139 HydrophobicContact CG1-CG1 4.37Å; I1129-I1139 HydrophobicContact CG1-CG2 4.35Å
1130Y94.9Very high90Very high0 Ų031.3 Ų31.30%018%0.178CC..EExtended strand (participates in β ladder)trans-151168.2-177.367-74.7000111.4A1104 Y1108 G1110 V1113 I1128 Q1138 A1140 R1175A1104-Y1130 WeakPolarHBondContact O-CB 3.46Å; Y1108-Y1130 WeakPolarHBondContact O-CD2 3.37Å; Y1108-Y1130 WeakPolarHBondContact O-CE2 3.38Å; G1110-Y1130 VanDerWaalsContact CA-OH 3.31Å; G1110-Y1130 WeakPolarHBondContact CA-OH 3.47Å; V1113-Y1130 HydrophobicContact CG1-CD1 4.06Å; V1113-Y1130 HydrophobicContact CG1-CD2 4.37Å; V1113-Y1130 HydrophobicContact CG1-CE1 3.76Å; V1113-Y1130 HydrophobicContact CG1-CE2 4.08Å; V1113-Y1130 HydrophobicContact CG1-CG 4.35Å; V1113-Y1130 HydrophobicContact CG2-CD1 4.25Å; V1113-Y1130 HydrophobicContact CG2-CG 4.19Å; I1128-Y1130 HydrophobicContact CG2-CD1 4.05Å; Y1130-Q1138 HydrophobicContact CD1-CB 3.94Å; Y1130-Q1138 VanDerWaalsContact CD1-O 3.26Å; Y1130-Q1138 WeakPolarHBondContact CD1-O 3.31Å; Y1130-Q1138 HydrophobicContact CD2-CB 4.1Å; Y1130-Q1138 HydrophobicContact CE1-CB 3.59Å; Y1130-Q1138 HydrophobicContact CE2-CB 3.77Å; Y1130-Q1138 HydrophobicContact CE2-CG 4.29Å; Y1130-Q1138 HydrophobicContact CG-CB 4.2Å; Y1130-Q1138 PolarHBondContact N-O 3.26Å; Y1130-Q1138 PolarHBondContact O-N 2.82Å; Y1130-A1140 HydrophobicContact CE1-CB 3.93Å; Y1130-R1175 WeakPolarHBondContact OH-CG 3.25Å
1131T90.2Very high90.1Very high1 Ų127 Ų271%0.00616%0.158CC..BIsolated β-bridgetrans-127.9-171.2179.2-169.40000111.2F1080 K1106 P1107 Y1108 V1136F1080-T1131 WeakPolarHBondContact O-CG2 3.43Å; K1106-T1131 PolarHBondContact O-N 3.25Å; K1106-T1131 VanDerWaalsContact O-N 3.09Å; P1107-T1131 WeakPolarHBondContact CA-O 3.33Å; P1107-T1131 HydrophobicContact CB-CG2 4.47Å; P1107-T1131 HydrophobicContact CG-CG2 3.99Å; Y1108-T1131 PolarHBondContact N-O 3.29Å; T1131-V1136 WeakPolarHBondContact CB-O 2.96Å; T1131-V1136 PolarHBondContact OG1-O 3.48Å
1132S78.8Confident90.1Very high28 Ų2827.1 Ų27.120%0.19616%0.158CC..  trans-131.6-152.6170.451.30000109D1134 V1136S1132-D1134 VanDerWaalsContact CB-OD2 3.29Å; S1132-D1134 WeakPolarHBondContact CB-OD2 3.09Å; S1132-D1134 PolarHBondContact OG-OD2 2.91Å; S1132-V1136 WeakPolarHBondContact OG-CG2 3.39Å
1133A66.2Low90.2Very high88 Ų8827.1 Ų27.173%0.72716%0.158SC*.SBendtrans-79.7-25.7168.400000111.7
1134D67.1Low90.1Very high82 Ų8227.5 Ų27.544%0.43916%0.162SC..SBendtrans-71.9155.9178.4-34.4-107.7000111.9S1132 V1136S1132-D1134 VanDerWaalsContact CB-OD2 3.29Å; S1132-D1134 WeakPolarHBondContact CB-OD2 3.09Å; S1132-D1134 PolarHBondContact OG-OD2 2.91Å; D1134-V1136 HydrophobicContact CB-CG1 3.9Å; D1134-V1136 HydrophobicContact CB-CG2 4.12Å; D1134-V1136 PolarHBondContact O-N 2.67Å
1135P78.2Confident90.1Very high25 Ų2526.4 Ų26.416%0.16215%0.153CC..SBendtrans-73.171.6172.730.3-35.2000111.4M1062 F1077 R1078 V1079 I1169 G1170 R1171M1062-P1135 HydrophobicContact CE-CG 4.33Å; F1077-P1135 HydrophobicContact CB-CB 3.97Å; F1077-P1135 HydrophobicContact CB-CG 4.09Å; R1078-P1135 WeakPolarHBondContact O-CB 3.37Å; V1079-P1135 HydrophobicContact CG1-CB 3.99Å; P1135-I1169 WeakPolarHBondContact O-CG2 3.38Å; P1135-G1170 PolarHBondContact O-N 3.45Å; P1135-R1171 PolarHBondContact O-N 3.22Å
1136V86.7Confident90.2Very high9 Ų925.8 Ų25.86%0.05515%0.146CC..EExtended strand (participates in β ladder)trans-138.7146.7-175.8-540000112.9T1131 S1132 D1134 Q1138 R1171 I1173T1131-V1136 WeakPolarHBondContact CB-O 2.96Å; T1131-V1136 PolarHBondContact OG1-O 3.48Å; S1132-V1136 WeakPolarHBondContact OG-CG2 3.39Å; D1134-V1136 HydrophobicContact CB-CG1 3.9Å; D1134-V1136 HydrophobicContact CB-CG2 4.12Å; D1134-V1136 PolarHBondContact O-N 2.67Å; V1136-Q1138 HydrophobicContact CG2-CG 4.34Å; V1136-R1171 WeakPolarHBondContact CA-O 3.31Å; V1136-R1171 HydrophobicContact CB-CB 4.49Å; V1136-R1171 WeakPolarHBondContact CB-O 3.47Å; V1136-R1171 HydrophobicContact CG1-CB 3.88Å; V1136-I1173 HydrophobicContact CB-CD1 4.41Å
1137L93.8Very high90Very high0 Ų027.4 Ų27.40%016%0.159CC..EExtended strand (participates in β ladder)trans-117125.3172.7-174.7161.3000109.2F1084 L1088 I1092 I1129 I1139 V1158 I1169 R1171 I1172 I1173F1084-L1137 HydrophobicContact CD1-CD1 4.06Å; F1084-L1137 HydrophobicContact CD2-CD1 4.05Å; F1084-L1137 HydrophobicContact CD2-CG 4.16Å; F1084-L1137 HydrophobicContact CE1-CB 3.98Å; F1084-L1137 HydrophobicContact CE1-CD1 3.88Å; F1084-L1137 HydrophobicContact CE1-CG 4.12Å; F1084-L1137 HydrophobicContact CE2-CB 3.96Å; F1084-L1137 HydrophobicContact CE2-CD1 3.88Å; F1084-L1137 HydrophobicContact CE2-CG 3.55Å; F1084-L1137 HydrophobicContact CG-CD1 4.16Å; F1084-L1137 HydrophobicContact CZ-CB 3.43Å; F1084-L1137 VanDerWaalsContact CZ-CB 3.43Å; F1084-L1137 HydrophobicContact CZ-CD1 3.8Å; F1084-L1137 HydrophobicContact CZ-CG 3.54Å; L1088-L1137 HydrophobicContact CD2-CD1 4.3Å; I1092-L1137 HydrophobicContact CD1-CD1 4.19Å; I1129-L1137 HydrophobicContact CG2-CD1 4.32Å; I1129-L1137 HydrophobicContact CG2-CD2 3.87Å; I1129-L1137 HydrophobicContact CG2-CG 3.94Å; L1137-I1139 HydrophobicContact CD2-CD1 3.85Å; L1137-I1139 HydrophobicContact CD2-CG1 3.43Å; L1137-I1139 VanDerWaalsContact CD2-CG1 3.43Å; L1137-V1158 HydrophobicContact CD1-CG1 3.93Å; L1137-V1158 HydrophobicContact CD2-CG1 4.15Å; L1137-I1169 HydrophobicContact CB-CD1 4.38Å; L1137-I1169 HydrophobicContact CB-CG2 4.38Å; L1137-I1169 HydrophobicContact CD1-CD1 4.32Å; L1137-R1171 PolarHBondContact N-O 3.2Å; L1137-I1172 HydrophobicContact CB-CD1 3.66Å; L1137-I1172 HydrophobicContact CD2-CG2 4.4Å; L1137-I1172 HydrophobicContact CG-CD1 4.47Å; L1137-I1172 CarbonylContact O-C 3.45Å; L1137-I1172 WeakPolarHBondContact O-CA 3.26Å; L1137-I1173 PolarHBondContact O-N 3.25Å
1138Q95.9Very high89.8Confident18 Ų1829.5 Ų29.58%0.08417%0.17CC..EExtended strand (participates in β ladder)trans-115.2128.5-176.1-59.3-171.588.500109.8I1129 Y1130 V1136 I1173 R1175I1129-Q1138 WeakPolarHBondContact CA-O 3.04Å; Y1130-Q1138 HydrophobicContact CD1-CB 3.94Å; Y1130-Q1138 VanDerWaalsContact CD1-O 3.26Å; Y1130-Q1138 WeakPolarHBondContact CD1-O 3.31Å; Y1130-Q1138 HydrophobicContact CD2-CB 4.1Å; Y1130-Q1138 HydrophobicContact CE1-CB 3.59Å; Y1130-Q1138 HydrophobicContact CE2-CB 3.77Å; Y1130-Q1138 HydrophobicContact CE2-CG 4.29Å; Y1130-Q1138 HydrophobicContact CG-CB 4.2Å; Y1130-Q1138 PolarHBondContact N-O 3.26Å; Y1130-Q1138 PolarHBondContact O-N 2.82Å; V1136-Q1138 HydrophobicContact CG2-CG 4.34Å; Q1138-I1173 WeakPolarHBondContact CA-O 3.31Å; Q1138-I1173 HydrophobicContact CG-CB 4.24Å; Q1138-I1173 HydrophobicContact CG-CD1 4.25Å; Q1138-R1175 HydrophobicContact CB-CG 4.24Å; Q1138-R1175 VanDerWaalsContact OE1-CZ 3.25Å
1139I97Very high89.5Confident0 Ų037.6 Ų37.60%021%0.207CC..EExtended strand (participates in β ladder)trans-116.2111.1-179.8-47.7-173.8000108.7L1127 I1128 I1129 L1137 L1151 I1154 V1158 I1173 R1175L1127-I1139 HydrophobicContact CB-CG2 4.3Å; L1127-I1139 HydrophobicContact CD2-CG2 3.88Å; I1128-I1139 WeakPolarHBondContact O-CA 3.41Å; I1129-I1139 HydrophobicContact CG1-CG1 4.37Å; I1129-I1139 HydrophobicContact CG1-CG2 4.35Å; L1137-I1139 HydrophobicContact CD2-CD1 3.85Å; L1137-I1139 HydrophobicContact CD2-CG1 3.43Å; L1137-I1139 VanDerWaalsContact CD2-CG1 3.43Å; I1139-L1151 HydrophobicContact CB-CD1 4.19Å; I1139-L1151 HydrophobicContact CG2-CD1 3.75Å; I1139-I1154 HydrophobicContact CD1-CG2 3.96Å; I1139-V1158 HydrophobicContact CD1-CG2 3.79Å; I1139-I1173 PolarHBondContact N-O 3.17Å; I1139-R1175 WeakPolarHBondContact O-CB 3.42Å; I1139-R1175 PolarHBondContact O-N 2.7Å
1140A96.4Very high89.4Confident0 Ų040.3 Ų40.30%022%0.22CC..EExtended strand (participates in β ladder)trans-103.4143.3175.300000111.9I1114 I1128 Y1130 R1175 Y1177I1114-A1140 HydrophobicContact CG2-CB 4.02Å; I1128-A1140 HydrophobicContact CB-CB 4.07Å; I1128-A1140 WeakPolarHBondContact CB-O 3.3Å; I1128-A1140 HydrophobicContact CG2-CB 4.27Å; I1128-A1140 PolarHBondContact N-O 3.04Å; I1128-A1140 VanDerWaalsContact N-O 3.14Å; I1128-A1140 PolarHBondContact O-N 3.13Å; Y1130-A1140 HydrophobicContact CE1-CB 3.93Å; A1140-R1175 VanDerWaalsContact CA-O 3.3Å; A1140-R1175 WeakPolarHBondContact CA-O 3.26Å; A1140-R1175 HydrophobicContact CB-CB 3.81Å; A1140-R1175 WeakPolarHBondContact CB-O 3.43Å; A1140-Y1177 HydrophobicContact CB-CD1 4.25Å; A1140-Y1177 HydrophobicContact CB-CE1 4.14Å
1141A95.6Very high89.5Confident0 Ų040.4 Ų40.40%022%0.221CC..EExtended strand (participates in β ladder)trans-157.3151.1179.300000111.2I1146 L1151 P1176 Y1177A1141-I1146 HydrophobicContact CB-CB 3.78Å; A1141-I1146 HydrophobicContact CB-CD1 3.65Å; A1141-I1146 HydrophobicContact CB-CG1 3.78Å; A1141-L1151 HydrophobicContact CB-CD1 4.33Å; A1141-L1151 HydrophobicContact CB-CD2 4.47Å; A1141-P1176 WeakPolarHBondContact O-CA 3.44Å; A1141-Y1177 VanDerWaalsContact O-CD1 3.24Å; A1141-Y1177 WeakPolarHBondContact O-CD1 3.4Å; A1141-Y1177 WeakPolarHBondContact O-CE1 3.44Å; A1141-Y1177 PolarHBondContact O-N 2.83Å
1142H96.9Very high89.7Confident4 Ų443.3 Ų43.32%0.01923%0.232CC..EExtended strand (participates in β ladder)trans-78.1129.6171.5-168-83.4000110.8Q1121 M1122 E1144 I1145 I1146 Y1177 G1179Q1121-H1142 VanDerWaalsContact OE1-CB 3.28Å; M1122-H1142 HydrophobicContact CG-CB 4.08Å; H1142-E1144 WeakPolarHBondContact CE1-CB 3.48Å; H1142-E1144 WeakPolarHBondContact CE1-CG 3.43Å; H1142-E1144 IonicContact CE1-OE1 3.48Å; H1142-E1144 IonicContact CE1-OE2 3.08Å; H1142-E1144 PolarHBondContact CE1-OE2 2.7Å; H1142-E1144 PolarHBondContact ND1-N 2.76Å; H1142-E1144 PolarHBondContact O-N 3.09Å; H1142-I1145 HydrophobicContact CB-CB 4.26Å; H1142-I1145 HydrophobicContact CB-CG1 3.95Å; H1142-I1145 PolarHBondContact O-N 3.31Å; H1142-I1146 PolarHBondContact O-N 2.85Å; H1142-Y1177 VanDerWaalsContact CA-O 3.3Å; H1142-Y1177 WeakPolarHBondContact CA-O 2.95Å; H1142-Y1177 HydrophobicContact CB-CD2 4.26Å; H1142-Y1177 HydrophobicContact CB-CE2 3.71Å; H1142-Y1177 AromaticContact CD2-CD2 3.89Å; H1142-Y1177 AromaticContact CD2-CE2 3.75Å; H1142-G1179 PolarHBondContact CD2-O 2.88Å; H1142-G1179 WeakPolarHBondContact NE2-CA 3.49Å; H1142-G1179 PolarHBondContact NE2-N 2.94Å; H1142-G1179 PolarHBondContact NE2-O 2.78Å
1143E95Very high90.5Very high44 Ų4448.5 Ų48.521%0.20625%0.251CS..THydrogen-bonded Turntrans-62.6-25.8-171-66-173.1179.500114.2I1145 L1148 P1176 Y1177 V1178 T1187 N1189E1143-I1145 VanDerWaalsContact C-N 3.32Å; E1143-L1148 HydrophobicContact CG-CD2 3.92Å; E1143-L1148 HydrophobicContact CG-CG 4.33Å; E1143-P1176 HydrophobicContact CG-CB 3.71Å; E1143-P1176 WeakPolarHBondContact OE1-CB 3.36Å; E1143-Y1177 PolarHBondContact N-O 2.81Å; E1143-V1178 HydrophobicContact CB-CG1 4.03Å; E1143-V1178 HydrophobicContact CG-CG1 4.11Å; E1143-T1187 WeakPolarHBondContact OE1-CB 3.34Å; E1143-T1187 WeakPolarHBondContact OE1-CG2 3.39Å; E1143-T1187 PolarHBondContact OE1-OG1 3.3Å; E1143-N1189 PolarHBondContact OE1-ND2 2.78Å; E1143-N1189 PolarHBondContact OE2-ND2 2.95Å
1144E90Very high91.8Very high157 Ų15744.5 Ų44.573%0.73422%0.217SC*.THydrogen-bonded Turntrans-79.9-15.9176.7-57.4-176.4152.300112.9H1142H1142-E1144 WeakPolarHBondContact CE1-CB 3.48Å; H1142-E1144 WeakPolarHBondContact CE1-CG 3.43Å; H1142-E1144 IonicContact CE1-OE1 3.48Å; H1142-E1144 IonicContact CE1-OE2 3.08Å; H1142-E1144 PolarHBondContact CE1-OE2 2.7Å; H1142-E1144 PolarHBondContact ND1-N 2.76Å; H1142-E1144 PolarHBondContact O-N 3.09Å
1145I91.4Very high93.2Very high50 Ų5040.6 Ų40.626%0.25620%0.196SC..THydrogen-bonded Turntrans-103.9-35-175.8-54.8-63.8000111.1R1098 M1122 H1142 E1143R1098-I1145 PolarHBondContact NH1-O 3.23Å; R1098-I1145 VanDerWaalsContact NH1-O 3.16Å; R1098-I1145 PolarHBondContact NH2-O 3.09Å; M1122-I1145 HydrophobicContact CB-CG1 4.49Å; M1122-I1145 HydrophobicContact CG-CG1 4.21Å; H1142-I1145 HydrophobicContact CB-CB 4.26Å; H1142-I1145 HydrophobicContact CB-CG1 3.95Å; H1142-I1145 PolarHBondContact O-N 3.31Å; E1143-I1145 VanDerWaalsContact C-N 3.32Å
1146I93.8Very high93.8Very high1 Ų143.1 Ų43.11%0.00521%0.206CC..SBendtrans-132.499.4174.3-43-162.2000107.9L1127 A1141 H1142 E1150 L1151L1127-I1146 HydrophobicContact CD2-CD1 3.55Å; A1141-I1146 HydrophobicContact CB-CB 3.78Å; A1141-I1146 HydrophobicContact CB-CD1 3.65Å; A1141-I1146 HydrophobicContact CB-CG1 3.78Å; H1142-I1146 PolarHBondContact O-N 2.85Å; I1146-E1150 HydrophobicContact CG2-CB 4.15Å; I1146-E1150 HydrophobicContact CG2-CG 4.27Å; I1146-L1151 HydrophobicContact CG2-CB 4.3Å
1147P92.4Very high94.2Very high69 Ų6945.3 Ų45.345%0.44821%0.214SC..  trans-56.1147.9178-27.436.2000112.5E1149 E1150 L1151P1147-E1149 VanDerWaalsContact C-N 3.3Å; P1147-E1149 PolarHBondContact O-N 3.42Å; P1147-E1150 WeakPolarHBondContact CD-OE2 3.38Å; P1147-E1150 WeakPolarHBondContact O-CA 3.11Å; P1147-E1150 VanDerWaalsContact O-CB 3.28Å; P1147-E1150 WeakPolarHBondContact O-CB 3.39Å; P1147-E1150 PolarHBondContact O-N 2.95Å; P1147-L1151 PolarHBondContact O-N 2.66Å
1148L91.9Very high94.2Very high43 Ų4345.3 Ų45.323%0.22521%0.214CC..Hα-helixtrans-56.1-39.7-174.1-67171.5000113.9E1143 E1150 L1151 Y1152 P1176 N1189E1143-L1148 HydrophobicContact CG-CD2 3.92Å; E1143-L1148 HydrophobicContact CG-CG 4.33Å; L1148-E1150 VanDerWaalsContact C-N 3.26Å; L1148-E1150 PolarHBondContact O-N 3.01Å; L1148-L1151 PolarHBondContact O-N 3.13Å; L1148-Y1152 HydrophobicContact CB-CE2 4.22Å; L1148-Y1152 VanDerWaalsContact O-CB 3.29Å; L1148-Y1152 WeakPolarHBondContact O-CB 3.18Å; L1148-Y1152 WeakPolarHBondContact O-CD2 3.43Å; L1148-Y1152 PolarHBondContact O-N 3.32Å; L1148-P1176 HydrophobicContact CD2-CB 3.69Å; L1148-P1176 HydrophobicContact CD2-CG 3.7Å; L1148-N1189 HydrophobicContact CD1-CB 3.83Å; L1148-N1189 WeakPolarHBondContact CD1-ND2 3.3Å; L1148-N1189 HydrophobicContact CD2-CB 3.61Å; L1148-N1189 HydrophobicContact CG-CB 4.37Å
1149E90.5Very high94Very high170 Ų17044.9 Ų44.979%0.79421%0.211SC*.Hα-helixtrans-60.7-36.3176.1-172.1-179.6178.400112P1147 K1153P1147-E1149 VanDerWaalsContact C-N 3.3Å; P1147-E1149 PolarHBondContact O-N 3.42Å; E1149-K1153 WeakPolarHBondContact O-CB 3.45Å; E1149-K1153 PolarHBondContact O-N 3.14Å
1150E94.9Very high93.5Very high58 Ų5848.2 Ų48.227%0.27123%0.229SC..Hα-helixtrans-71.2-48.3175.4-163.3-169.1157.200110.8R1098 I1146 P1147 L1148 Y1152 K1153 I1154R1098-E1150 IonicContact CZ-OE1 3.62Å; R1098-E1150 IonicContact CZ-OE2 2.73Å; R1098-E1150 IonicContact NE-OE1 3.61Å; R1098-E1150 PolarHBondContact NE-OE1 2.91Å; R1098-E1150 IonicContact NE-OE2 3.58Å; R1098-E1150 IonicContact NH2-OE1 3.58Å; R1098-E1150 PolarHBondContact NH2-OE1 3.2Å; R1098-E1150 VanDerWaalsContact NH2-OE1 3.15Å; R1098-E1150 IonicContact NH2-OE2 3.34Å; R1098-E1150 PolarHBondContact NH2-OE2 3.28Å; I1146-E1150 HydrophobicContact CG2-CB 4.15Å; I1146-E1150 HydrophobicContact CG2-CG 4.27Å; P1147-E1150 WeakPolarHBondContact CD-OE2 3.38Å; P1147-E1150 WeakPolarHBondContact O-CA 3.11Å; P1147-E1150 VanDerWaalsContact O-CB 3.28Å; P1147-E1150 WeakPolarHBondContact O-CB 3.39Å; P1147-E1150 PolarHBondContact O-N 2.95Å; L1148-E1150 VanDerWaalsContact C-N 3.26Å; L1148-E1150 PolarHBondContact O-N 3.01Å; E1150-Y1152 PolarHBondContact O-N 3.49Å; E1150-K1153 PolarHBondContact O-N 2.87Å; E1150-I1154 HydrophobicContact CG-CD1 4.17Å; E1150-I1154 VanDerWaalsContact O-CG1 3.26Å; E1150-I1154 WeakPolarHBondContact O-CG1 3.37Å; E1150-I1154 PolarHBondContact O-N 2.81Å
1151L96.4Very high93.2Very high1 Ų150.2 Ų50.21%0.00524%0.239CC..Hα-helixtrans-59.5-43.8177.8179.262000112.1I1139 A1141 I1146 P1147 L1148 I1154 C1155 A1174 P1176I1139-L1151 HydrophobicContact CB-CD1 4.19Å; I1139-L1151 HydrophobicContact CG2-CD1 3.75Å; A1141-L1151 HydrophobicContact CB-CD1 4.33Å; A1141-L1151 HydrophobicContact CB-CD2 4.47Å; I1146-L1151 HydrophobicContact CG2-CB 4.3Å; P1147-L1151 PolarHBondContact O-N 2.66Å; L1148-L1151 PolarHBondContact O-N 3.13Å; L1151-I1154 PolarHBondContact O-N 2.81Å; L1151-C1155 PolarHBondContact O-N 3.01Å; L1151-C1155 PolarHBondContact O-SG 3.48Å; L1151-A1174 HydrophobicContact CD2-CB 4.21Å; L1151-A1174 HydrophobicContact CG-CB 4.24Å; L1151-P1176 HydrophobicContact CD2-CB 3.84Å; L1151-P1176 HydrophobicContact CD2-CG 4.1Å
1152Y95.9Very high92.9Very high62 Ų6250.2 Ų50.224%0.24324%0.239CC..Hα-helixtrans-65.4-42.4176-67.7-18.1000111.9L1148 E1150 I1154 C1155 Q1156 A1174 N1189 H1191 Y1193L1148-Y1152 HydrophobicContact CB-CE2 4.22Å; L1148-Y1152 VanDerWaalsContact O-CB 3.29Å; L1148-Y1152 WeakPolarHBondContact O-CB 3.18Å; L1148-Y1152 WeakPolarHBondContact O-CD2 3.43Å; L1148-Y1152 PolarHBondContact O-N 3.32Å; E1150-Y1152 PolarHBondContact O-N 3.49Å; Y1152-I1154 VanDerWaalsContact C-N 3.33Å; Y1152-I1154 PolarHBondContact O-N 2.79Å; Y1152-C1155 PolarHBondContact O-N 2.95Å; Y1152-Q1156 WeakPolarHBondContact O-CB 3.23Å; Y1152-Q1156 PolarHBondContact O-N 3.15Å; Y1152-A1174 HydrophobicContact CD1-CB 3.98Å; Y1152-A1174 HydrophobicContact CE1-CB 3.99Å; Y1152-N1189 WeakPolarHBondContact CE1-O 3.37Å; Y1152-N1189 PolarHBondContact OH-O 2.88Å; Y1152-N1189 VanDerWaalsContact OH-O 3.12Å; Y1152-H1191 HydrophobicContact CD1-CB 4.07Å; Y1152-H1191 HydrophobicContact CE1-CB 3.69Å; Y1152-Y1193 WeakPolarHBondContact CA-OH 3.28Å; Y1152-Y1193 VanDerWaalsContact CB-OH 3.3Å; Y1152-Y1193 WeakPolarHBondContact CB-OH 3.43Å; Y1152-Y1193 PolarHBondContact O-OH 3.21Å
1153K93.7Very high92.1Very high138 Ų13853.5 Ų53.560%0.625%0.254SS*.Hα-helixtrans-63.5-38.1175.6-176.2-177.1176.9-170.20112.3F1095 E1149 E1150 Y1157F1095-K1153 HydrophobicContact CE1-CG 4.34Å; F1095-K1153 HydrophobicContact CZ-CG 4.23Å; E1149-K1153 WeakPolarHBondContact O-CB 3.45Å; E1149-K1153 PolarHBondContact O-N 3.14Å; E1150-K1153 PolarHBondContact O-N 2.87Å; K1153-Y1157 PolarHBondContact O-N 2.82Å
1154I94.9Very high91.2Very high3 Ų356.8 Ų56.82%0.01527%0.273CS..Hα-helixtrans-63.4-51.1172.1-67162.8000109.6I1092 L1127 I1139 E1150 L1151 Y1152 Q1156 Y1157 V1158I1092-I1154 HydrophobicContact CG2-CG2 4.15Å; L1127-I1154 HydrophobicContact CD1-CG2 4.22Å; L1127-I1154 HydrophobicContact CD2-CD1 4.19Å; I1139-I1154 HydrophobicContact CD1-CG2 3.96Å; E1150-I1154 HydrophobicContact CG-CD1 4.17Å; E1150-I1154 VanDerWaalsContact O-CG1 3.26Å; E1150-I1154 WeakPolarHBondContact O-CG1 3.37Å; E1150-I1154 PolarHBondContact O-N 2.81Å; L1151-I1154 PolarHBondContact O-N 2.81Å; Y1152-I1154 VanDerWaalsContact C-N 3.33Å; Y1152-I1154 PolarHBondContact O-N 2.79Å; I1154-Q1156 VanDerWaalsContact C-N 3.32Å; I1154-Q1156 PolarHBondContact O-N 3.19Å; I1154-Y1157 PolarHBondContact O-N 3.02Å; I1154-V1158 HydrophobicContact CG2-CG2 4.15Å; I1154-V1158 WeakPolarHBondContact O-CG2 3.06Å; I1154-V1158 PolarHBondContact O-N 2.96Å
1155C95.8Very high90.3Very high0 Ų053.3 Ų53.30%026%0.259CS..Hα-helixtrans-60.8-37.8179.8-660000113L1151 Y1152 V1158 R1159 I1172 Y1193L1151-C1155 PolarHBondContact O-N 3.01Å; L1151-C1155 PolarHBondContact O-SG 3.48Å; Y1152-C1155 PolarHBondContact O-N 2.95Å; C1155-V1158 PolarHBondContact O-N 3.12Å; C1155-R1159 WeakPolarHBondContact O-CB 3.49Å; C1155-R1159 PolarHBondContact O-N 2.61Å; C1155-I1172 HydrophobicContact CB-CG2 4.12Å; C1155-Y1193 HydrophobicContact CB-CD2 3.74Å; C1155-Y1193 HydrophobicContact CB-CE2 3.28Å
1156Q91.5Very high89.6Confident78 Ų7854.4 Ų54.436%0.36427%0.269SS..Hα-helixtrans-63.6-47.7173.5178.65955.600111.5Y1152 I1154 V1158 R1159 D1160 Y1193Y1152-Q1156 WeakPolarHBondContact O-CB 3.23Å; Y1152-Q1156 PolarHBondContact O-N 3.15Å; I1154-Q1156 VanDerWaalsContact C-N 3.32Å; I1154-Q1156 PolarHBondContact O-N 3.19Å; Q1156-V1158 VanDerWaalsContact C-N 3.35Å; Q1156-V1158 PolarHBondContact O-N 3.26Å; Q1156-R1159 WeakPolarHBondContact O-CA 3.21Å; Q1156-R1159 WeakPolarHBondContact O-CB 3.45Å; Q1156-R1159 PolarHBondContact O-N 3.27Å; Q1156-R1159 VanDerWaalsContact O-N 3.14Å; Q1156-D1160 PolarHBondContact NE2-OD1 2.87Å; Q1156-D1160 PolarHBondContact NE2-OD2 3.16Å; Q1156-D1160 PolarHBondContact O-N 2.85Å; Q1156-Y1193 HydrophobicContact CB-CE1 4.08Å
1157Y94.6Very high89.2Confident56 Ų5655.4 Ų55.422%0.2227%0.273CS..Hα-helixtrans-60.4-43.8174.6167.7-100000112F1095 K1153 I1154 R1159 D1160 I1161F1095-Y1157 HydrophobicContact CB-CD1 3.58Å; F1095-Y1157 HydrophobicContact CB-CE1 3.29Å; F1095-Y1157 HydrophobicContact CB-CE2 4.28Å; F1095-Y1157 HydrophobicContact CB-CG 4.19Å; F1095-Y1157 AromaticContact CD1-CD1 3.4Å; F1095-Y1157 HydrophobicContact CD1-CD1 3.4Å; F1095-Y1157 VanDerWaalsContact CD1-CD1 3.4Å; F1095-Y1157 HydrophobicContact CD1-CD2 4.28Å; F1095-Y1157 HydrophobicContact CD1-CE1 4.09Å; F1095-Y1157 AromaticContact CD1-CG 3.51Å; F1095-Y1157 HydrophobicContact CD1-CG 3.51Å; F1095-Y1157 AromaticContact CD2-CD1 3.89Å; F1095-Y1157 HydrophobicContact CD2-CD1 3.89Å; F1095-Y1157 AromaticContact CD2-CD2 3.45Å; F1095-Y1157 HydrophobicContact CD2-CD2 3.45Å; F1095-Y1157 VanDerWaalsContact CD2-CD2 3.45Å; F1095-Y1157 HydrophobicContact CD2-CE1 4.08Å; F1095-Y1157 AromaticContact CD2-CE2 3.66Å; F1095-Y1157 HydrophobicContact CD2-CE2 3.66Å; F1095-Y1157 AromaticContact CD2-CG 3.57Å; F1095-Y1157 HydrophobicContact CD2-CG 3.57Å; F1095-Y1157 AromaticContact CD2-CZ 3.96Å; F1095-Y1157 HydrophobicContact CE1-CD1 4.03Å; F1095-Y1157 HydrophobicContact CE1-CD2 4.4Å; F1095-Y1157 AromaticContact CE1-CG 3.67Å; F1095-Y1157 HydrophobicContact CE1-CG 3.67Å; F1095-Y1157 HydrophobicContact CE2-CD1 4.45Å; F1095-Y1157 AromaticContact CE2-CD2 3.58Å; F1095-Y1157 HydrophobicContact CE2-CD2 3.58Å; F1095-Y1157 HydrophobicContact CE2-CE2 4.2Å; F1095-Y1157 AromaticContact CE2-CG 3.72Å; F1095-Y1157 HydrophobicContact CE2-CG 3.72Å; F1095-Y1157 AromaticContact CG-CD1 3.32Å; F1095-Y1157 HydrophobicContact CG-CD1 3.32Å; F1095-Y1157 AromaticContact CG-CD2 3.82Å; F1095-Y1157 HydrophobicContact CG-CD2 3.82Å; F1095-Y1157 AromaticContact CG-CE1 3.56Å; F1095-Y1157 HydrophobicContact CG-CE1 3.56Å; F1095-Y1157 HydrophobicContact CG-CE2 4.03Å; F1095-Y1157 AromaticContact CG-CG 3.46Å; F1095-Y1157 HydrophobicContact CG-CG 3.46Å; F1095-Y1157 VanDerWaalsContact CG-CG 3.46Å; F1095-Y1157 AromaticContact CG-CZ 3.9Å; F1095-Y1157 VanDerWaalsContact CZ-CB 3.47Å; F1095-Y1157 HydrophobicContact CZ-CD2 4.06Å; F1095-Y1157 AromaticContact CZ-CG 3.76Å; F1095-Y1157 HydrophobicContact CZ-CG 3.76Å; K1153-Y1157 PolarHBondContact O-N 2.82Å; I1154-Y1157 PolarHBondContact O-N 3.02Å; Y1157-R1159 VanDerWaalsContact C-N 3.29Å; Y1157-R1159 PolarHBondContact O-N 3.18Å; Y1157-D1160 PolarHBondContact O-N 2.93Å; Y1157-D1160 VanDerWaalsContact O-N 3.12Å; Y1157-I1161 HydrophobicContact CD1-CD1 4.45Å; Y1157-I1161 HydrophobicContact CD2-CG2 4.23Å; Y1157-I1161 HydrophobicContact CE1-CD1 3.72Å; Y1157-I1161 HydrophobicContact CE1-CG1 4.35Å; Y1157-I1161 HydrophobicContact CE1-CG2 4.33Å; Y1157-I1161 HydrophobicContact CE2-CG2 3.63Å; Y1157-I1161 PolarHBondContact O-N 3.2Å
1158V94.2Very high88.7Confident0 Ų052.3 Ų52.30%025%0.253CS..Hα-helixtrans-58.8-44.2174.6-175.50000109.6I1092 L1137 I1139 I1154 C1155 Q1156 D1160 I1161 T1162 I1172I1092-V1158 HydrophobicContact CB-CG2 4.46Å; I1092-V1158 HydrophobicContact CD1-CG1 3.91Å; I1092-V1158 HydrophobicContact CD1-CG2 3.91Å; I1092-V1158 HydrophobicContact CG1-CG1 4.38Å; I1092-V1158 HydrophobicContact CG1-CG2 3.71Å; I1092-V1158 HydrophobicContact CG2-CG2 3.95Å; L1137-V1158 HydrophobicContact CD1-CG1 3.93Å; L1137-V1158 HydrophobicContact CD2-CG1 4.15Å; I1139-V1158 HydrophobicContact CD1-CG2 3.79Å; I1154-V1158 HydrophobicContact CG2-CG2 4.15Å; I1154-V1158 WeakPolarHBondContact O-CG2 3.06Å; I1154-V1158 PolarHBondContact O-N 2.96Å; C1155-V1158 PolarHBondContact O-N 3.12Å; Q1156-V1158 VanDerWaalsContact C-N 3.35Å; Q1156-V1158 PolarHBondContact O-N 3.26Å; V1158-D1160 VanDerWaalsContact C-N 3.32Å; V1158-D1160 PolarHBondContact O-N 2.7Å; V1158-I1161 WeakPolarHBondContact O-CG1 3.39Å; V1158-I1161 PolarHBondContact O-N 3.19Å; V1158-T1162 HydrophobicContact CG1-CG2 4.07Å; V1158-T1162 WeakPolarHBondContact O-CB 3.34Å; V1158-T1162 VanDerWaalsContact O-CG2 3.25Å; V1158-T1162 WeakPolarHBondContact O-CG2 3.41Å; V1158-T1162 PolarHBondContact O-N 2.71Å; V1158-T1162 VanDerWaalsContact O-N 3.07Å; V1158-T1162 PolarHBondContact O-OG1 3.2Å; V1158-I1172 HydrophobicContact CB-CG2 4.06Å; V1158-I1172 HydrophobicContact CG1-CD1 3.84Å; V1158-I1172 HydrophobicContact CG1-CG1 4.22Å; V1158-I1172 HydrophobicContact CG1-CG2 4.1Å
1159R90.9Very high88.4Confident8 Ų850.3 Ų50.33%0.0324%0.242CC..Hα-helixtrans-56.6-46.6174.6-175.572.4-135.9107-10.4111.1C1155 Q1156 Y1157 I1161 T1162 K1163 I1169 I1172 Y1193 A1194 L1195C1155-R1159 WeakPolarHBondContact O-CB 3.49Å; C1155-R1159 PolarHBondContact O-N 2.61Å; Q1156-R1159 WeakPolarHBondContact O-CA 3.21Å; Q1156-R1159 WeakPolarHBondContact O-CB 3.45Å; Q1156-R1159 PolarHBondContact O-N 3.27Å; Q1156-R1159 VanDerWaalsContact O-N 3.14Å; Y1157-R1159 VanDerWaalsContact C-N 3.29Å; Y1157-R1159 PolarHBondContact O-N 3.18Å; R1159-I1161 PolarHBondContact O-N 3.44Å; R1159-T1162 WeakPolarHBondContact CA-OG1 3.46Å; R1159-T1162 VanDerWaalsContact NH1-C 3.29Å; R1159-T1162 PolarHBondContact NH1-O 3.37Å; R1159-T1162 PolarHBondContact NH1-OG1 3.18Å; R1159-T1162 PolarHBondContact NH2-O 3.43Å; R1159-T1162 CarbonylContact O-C 3.59Å; R1159-T1162 PolarHBondContact O-N 2.93Å; R1159-T1162 PolarHBondContact O-OG1 2.82Å; R1159-K1163 WeakPolarHBondContact O-CG 3.4Å; R1159-K1163 PolarHBondContact O-N 2.57Å; R1159-I1169 PolarHBondContact NH1-O 3.15Å; R1159-I1169 VanDerWaalsContact NH1-O 3.16Å; R1159-I1169 PolarHBondContact NH2-O 3.26Å; R1159-I1172 HydrophobicContact CB-CB 4.46Å; R1159-I1172 HydrophobicContact CB-CG1 4.08Å; R1159-Y1193 WeakPolarHBondContact CD-O 3.36Å; R1159-A1194 WeakPolarHBondContact CD-O 3.32Å; R1159-A1194 PolarHBondContact NE-O 2.85Å; R1159-A1194 VanDerWaalsContact NE-O 3.16Å; R1159-L1195 VanDerWaalsContact NH2-CB 3.32Å; R1159-L1195 VanDerWaalsContact NH2-CD1 3.32Å
1160D87.4Confident87.8Confident71 Ų7142.2 Ų42.238%0.3821%0.205SC..Hα-helixtrans-64.1-37-179.3-72-47.3000113.6Q1156 Y1157 V1158 K1163Q1156-D1160 PolarHBondContact NE2-OD1 2.87Å; Q1156-D1160 PolarHBondContact NE2-OD2 3.16Å; Q1156-D1160 PolarHBondContact O-N 2.85Å; Y1157-D1160 PolarHBondContact O-N 2.93Å; Y1157-D1160 VanDerWaalsContact O-N 3.12Å; V1158-D1160 VanDerWaalsContact C-N 3.32Å; V1158-D1160 PolarHBondContact O-N 2.7Å; D1160-K1163 WeakPolarHBondContact OD1-CE 3.47Å; D1160-K1163 IonicContact OD1-NZ 3.44Å; D1160-K1163 PolarHBondContact OD1-NZ 3.18Å
1161I89.9Confident87.4Confident41 Ų4143.5 Ų43.521%0.2121%0.207CC..Hα-helixtrans-85.2-1.4175.268.8166.9000114.6L1088 Q1091 I1092 Y1157 V1158 R1159L1088-I1161 HydrophobicContact CD1-CD1 3.73Å; L1088-I1161 HydrophobicContact CD1-CG1 4.27Å; Q1091-I1161 HydrophobicContact CB-CD1 3.95Å; I1092-I1161 HydrophobicContact CG1-CD1 4.34Å; Y1157-I1161 HydrophobicContact CD1-CD1 4.45Å; Y1157-I1161 HydrophobicContact CD2-CG2 4.23Å; Y1157-I1161 HydrophobicContact CE1-CD1 3.72Å; Y1157-I1161 HydrophobicContact CE1-CG1 4.35Å; Y1157-I1161 HydrophobicContact CE1-CG2 4.33Å; Y1157-I1161 HydrophobicContact CE2-CG2 3.63Å; Y1157-I1161 PolarHBondContact O-N 3.2Å; V1158-I1161 WeakPolarHBondContact O-CG1 3.39Å; V1158-I1161 PolarHBondContact O-N 3.19Å; R1159-I1161 PolarHBondContact O-N 3.44Å
1162T89.4Confident87.2Confident0 Ų043.4 Ų43.40%021%0.207CC..THydrogen-bonded Turntrans-119.123.8-179.856.30000112.6L1088 V1158 R1159 Y1167 I1169 I1172L1088-T1162 HydrophobicContact CD1-CG2 4.01Å; L1088-T1162 HydrophobicContact CD2-CG2 4.34Å; V1158-T1162 HydrophobicContact CG1-CG2 4.07Å; V1158-T1162 WeakPolarHBondContact O-CB 3.34Å; V1158-T1162 VanDerWaalsContact O-CG2 3.25Å; V1158-T1162 WeakPolarHBondContact O-CG2 3.41Å; V1158-T1162 PolarHBondContact O-N 2.71Å; V1158-T1162 VanDerWaalsContact O-N 3.07Å; V1158-T1162 PolarHBondContact O-OG1 3.2Å; R1159-T1162 WeakPolarHBondContact CA-OG1 3.46Å; R1159-T1162 VanDerWaalsContact NH1-C 3.29Å; R1159-T1162 PolarHBondContact NH1-O 3.37Å; R1159-T1162 PolarHBondContact NH1-OG1 3.18Å; R1159-T1162 PolarHBondContact NH2-O 3.43Å; R1159-T1162 CarbonylContact O-C 3.59Å; R1159-T1162 PolarHBondContact O-N 2.93Å; R1159-T1162 PolarHBondContact O-OG1 2.82Å; T1162-Y1167 WeakPolarHBondContact CA-O 3.33Å; T1162-Y1167 WeakPolarHBondContact CB-O 3.3Å; T1162-I1169 HydrophobicContact CG2-CD1 3.92Å; T1162-I1169 PolarHBondContact O-N 3.14Å; T1162-I1169 VanDerWaalsContact O-N 3.16Å; T1162-I1172 HydrophobicContact CG2-CD1 4.44Å; T1162-I1172 WeakPolarHBondContact OG1-CD1 3.38Å
1163K80.8Confident87Confident73 Ų7340.8 Ų40.832%0.31720%0.197SC..SBendtrans-76.4-37.1171.7-77.2170.8176.6171.90112.3R1159 D1160 M1168 L1195R1159-K1163 WeakPolarHBondContact O-CG 3.4Å; R1159-K1163 PolarHBondContact O-N 2.57Å; D1160-K1163 WeakPolarHBondContact OD1-CE 3.47Å; D1160-K1163 IonicContact OD1-NZ 3.44Å; D1160-K1163 PolarHBondContact OD1-NZ 3.18Å; K1163-M1168 WeakPolarHBondContact O-CE 3.31Å; K1163-L1195 HydrophobicContact CG-CD1 4.43Å
1164D75.5Confident87Confident113 Ų11334.2 Ų34.260%0.60417%0.168SC*.SBendtrans-119.2166.7-170.6-60.7-68.1000112.7Y1167 M1168D1164-Y1167 CarbonylContact O-C 3.36Å; D1164-Y1167 PolarHBondContact O-N 2.84Å; D1164-M1168 PolarHBondContact O-N 2.84Å
1165D70.1Confident87Confident85 Ų8535.3 Ų35.346%0.45517%0.172SC..THydrogen-bonded Turntrans-63.3139.7170.4-163.2-103.7000110.2T1075 R1078T1075-D1165 HydrophobicContact CG2-CB 4.14Å; R1078-D1165 IonicContact CZ-OD2 3.3Å; R1078-D1165 IonicContact NE-OD2 2.77Å; R1078-D1165 PolarHBondContact NE-OD2 3.36Å; R1078-D1165 VanDerWaalsContact NE-OD2 3.14Å; R1078-D1165 IonicContact NH2-OD1 2.76Å; R1078-D1165 IonicContact NH2-OD2 2.7Å; R1078-D1165 PolarHBondContact NH2-OD2 3.01Å
1166P78.5Confident86.9Confident72 Ų7235.5 Ų35.547%0.46817%0.173SC..THydrogen-bonded Turncis-85.41.813.934-36.9000116.6
1167Y83.8Confident87.1Confident23 Ų2331.8 Ų31.89%0.0916%0.156CC..SBendtrans-121.227.3-167.7-49.8-49.7000114.4P1085 E1087 L1088 T1162 D1164 I1169P1085-Y1167 HydrophobicContact CG-CD1 4.15Å; P1085-Y1167 HydrophobicContact CG-CE1 3.54Å; E1087-Y1167 WeakPolarHBondContact CB-OH 3.3Å; L1088-Y1167 HydrophobicContact CB-CD1 4.13Å; L1088-Y1167 HydrophobicContact CB-CD2 4.41Å; L1088-Y1167 HydrophobicContact CB-CE1 3.94Å; L1088-Y1167 HydrophobicContact CB-CE2 4.22Å; L1088-Y1167 HydrophobicContact CB-CG 4.37Å; L1088-Y1167 HydrophobicContact CD1-CD2 3.92Å; L1088-Y1167 HydrophobicContact CD1-CE2 4.36Å; L1088-Y1167 HydrophobicContact CD1-CG 4.08Å; L1088-Y1167 HydrophobicContact CD2-CD1 4.04Å; L1088-Y1167 HydrophobicContact CD2-CG 4.06Å; L1088-Y1167 HydrophobicContact CG-CD1 4.5Å; L1088-Y1167 HydrophobicContact CG-CG 4.4Å; T1162-Y1167 WeakPolarHBondContact CA-O 3.33Å; T1162-Y1167 WeakPolarHBondContact CB-O 3.3Å; D1164-Y1167 CarbonylContact O-C 3.36Å; D1164-Y1167 PolarHBondContact O-N 2.84Å; Y1167-I1169 WeakPolarHBondContact O-CG1 3.34Å; Y1167-I1169 PolarHBondContact O-N 2.79Å
1168M82.6Confident87Confident4 Ų431.5 Ų31.52%0.0216%0.16CC..  trans-61.7101.7-178.4-175.1175.7-79.800111.5T1075 F1077 R1078 K1163 D1164 F1198T1075-M1168 HydrophobicContact CG2-CE 3.55Å; T1075-M1168 HydrophobicContact CG2-SD 3.57Å; T1075-M1168 VanDerWaalsContact CG2-SD 3.57Å; F1077-M1168 HydrophobicContact CD1-CG 4.31Å; R1078-M1168 PolarHBondContact N-O 2.75Å; K1163-M1168 WeakPolarHBondContact O-CE 3.31Å; D1164-M1168 PolarHBondContact O-N 2.84Å; M1168-F1198 HydrophobicContact CE-CE1 3.88Å; M1168-F1198 HydrophobicContact CE-CE2 4.46Å; M1168-F1198 HydrophobicContact CE-CZ 3.5Å; M1168-F1198 HydrophobicContact SD-CE2 4.42Å; M1168-F1198 HydrophobicContact SD-CZ 3.72Å
1169I86.3Confident86.8Confident0 Ų032.8 Ų32.80%017%0.173CC..  trans-117.2138.5-176.5-71.5160.4000108.5F1080 F1084 L1088 P1135 L1137 R1159 T1162 Y1167 I1172F1080-I1169 HydrophobicContact CD2-CD1 4.32Å; F1080-I1169 HydrophobicContact CD2-CG1 4.37Å; F1080-I1169 HydrophobicContact CE2-CD1 3.76Å; F1080-I1169 HydrophobicContact CE2-CG1 3.73Å; F1084-I1169 HydrophobicContact CD1-CD1 4.18Å; F1084-I1169 HydrophobicContact CE1-CD1 3.69Å; L1088-I1169 HydrophobicContact CD2-CD1 4.27Å; P1135-I1169 WeakPolarHBondContact O-CG2 3.38Å; L1137-I1169 HydrophobicContact CB-CD1 4.38Å; L1137-I1169 HydrophobicContact CB-CG2 4.38Å; L1137-I1169 HydrophobicContact CD1-CD1 4.32Å; R1159-I1169 PolarHBondContact NH1-O 3.15Å; R1159-I1169 VanDerWaalsContact NH1-O 3.16Å; R1159-I1169 PolarHBondContact NH2-O 3.26Å; T1162-I1169 HydrophobicContact CG2-CD1 3.92Å; T1162-I1169 PolarHBondContact O-N 3.14Å; T1162-I1169 VanDerWaalsContact O-N 3.16Å; Y1167-I1169 WeakPolarHBondContact O-CG1 3.34Å; Y1167-I1169 PolarHBondContact O-N 2.79Å; I1169-I1172 HydrophobicContact CB-CD1 4.22Å; I1169-I1172 HydrophobicContact CG2-CD1 3.68Å
1170G77.9Confident86.6Confident1 Ų138.9 Ų38.91%0.0120%0.202CC..SBendtrans-75.6-40.6-172.200000114.1P1135 A1194 L1195P1135-G1170 PolarHBondContact O-N 3.45Å; G1170-A1194 CarbonylContact O-C 3.58Å; G1170-L1195 PolarHBondContact O-N 3.27Å
1171R85.4Confident86.3Confident84 Ų8438.2 Ų38.232%0.31720%0.201SC..EExtended strand (participates in β ladder)trans-138130.9176.1-79.1169.6-78.5-144.9-4112.5P1135 V1136 L1137 I1173 Y1193 A1194P1135-R1171 PolarHBondContact O-N 3.22Å; V1136-R1171 WeakPolarHBondContact CA-O 3.31Å; V1136-R1171 HydrophobicContact CB-CB 4.49Å; V1136-R1171 WeakPolarHBondContact CB-O 3.47Å; V1136-R1171 HydrophobicContact CG1-CB 3.88Å; L1137-R1171 PolarHBondContact N-O 3.2Å; R1171-I1173 HydrophobicContact CB-CD1 4.31Å; R1171-I1173 HydrophobicContact CB-CG1 4.16Å; R1171-Y1193 WeakPolarHBondContact CA-O 3.39Å; R1171-A1194 HydrophobicContact CG-CB 4.1Å
1172I91.7Very high85.7Confident0 Ų039.9 Ų39.90%023%0.229CC..EExtended strand (participates in β ladder)trans-101.1135.8166.1-52.7-57.4000108.2L1137 C1155 V1158 R1159 T1162 I1169 Y1193L1137-I1172 HydrophobicContact CB-CD1 3.66Å; L1137-I1172 HydrophobicContact CD2-CG2 4.4Å; L1137-I1172 HydrophobicContact CG-CD1 4.47Å; L1137-I1172 CarbonylContact O-C 3.45Å; L1137-I1172 WeakPolarHBondContact O-CA 3.26Å; C1155-I1172 HydrophobicContact CB-CG2 4.12Å; V1158-I1172 HydrophobicContact CB-CG2 4.06Å; V1158-I1172 HydrophobicContact CG1-CD1 3.84Å; V1158-I1172 HydrophobicContact CG1-CG1 4.22Å; V1158-I1172 HydrophobicContact CG1-CG2 4.1Å; R1159-I1172 HydrophobicContact CB-CB 4.46Å; R1159-I1172 HydrophobicContact CB-CG1 4.08Å; T1162-I1172 HydrophobicContact CG2-CD1 4.44Å; T1162-I1172 WeakPolarHBondContact OG1-CD1 3.38Å; I1169-I1172 HydrophobicContact CB-CD1 4.22Å; I1169-I1172 HydrophobicContact CG2-CD1 3.68Å; I1172-Y1193 PolarHBondContact N-O 2.95Å; I1172-Y1193 PolarHBondContact O-N 3.04Å
1173I92Very high85.6Confident7 Ų745.8 Ų45.84%0.03626%0.26CS..EExtended strand (participates in β ladder)trans-137.8119.8-168.2-46.5173.6000113.7V1136 L1137 Q1138 I1139 R1171 R1175 D1192V1136-I1173 HydrophobicContact CB-CD1 4.41Å; L1137-I1173 PolarHBondContact O-N 3.25Å; Q1138-I1173 WeakPolarHBondContact CA-O 3.31Å; Q1138-I1173 HydrophobicContact CG-CB 4.24Å; Q1138-I1173 HydrophobicContact CG-CD1 4.25Å; I1139-I1173 PolarHBondContact N-O 3.17Å; R1171-I1173 HydrophobicContact CB-CD1 4.31Å; R1171-I1173 HydrophobicContact CB-CG1 4.16Å; I1173-R1175 HydrophobicContact CG2-CG 4.42Å; I1173-D1192 WeakPolarHBondContact CD1-OD2 3.14Å; I1173-D1192 HydrophobicContact CG1-CB 4.39Å; I1173-D1192 HydrophobicContact CG2-CB 4.4Å; I1173-D1192 VanDerWaalsContact CG2-CG 3.43Å; I1173-D1192 WeakPolarHBondContact CG2-OD1 3.29Å
1174A93.2Very high86Confident0 Ų043.6 Ų43.60%025%0.251CS..EExtended strand (participates in β ladder)trans-70.4132.6169.100000111L1151 Y1152 P1176 H1191L1151-A1174 HydrophobicContact CD2-CB 4.21Å; L1151-A1174 HydrophobicContact CG-CB 4.24Å; Y1152-A1174 HydrophobicContact CD1-CB 3.98Å; Y1152-A1174 HydrophobicContact CE1-CB 3.99Å; A1174-P1176 VanDerWaalsContact C-CD 3.45Å; A1174-H1191 HydrophobicContact CB-CB 4.27Å; A1174-H1191 PolarHBondContact N-O 3.23Å
1175R94.8Very high86.5Confident26 Ų2642.1 Ų42.110%0.09825%0.246CC..EExtended strand (participates in β ladder)trans-132.355.3-177.2-69.9-79.7-176.2-98.8-7.4112.2Y1130 Q1138 I1139 A1140 I1173 D1192Y1130-R1175 WeakPolarHBondContact OH-CG 3.25Å; Q1138-R1175 HydrophobicContact CB-CG 4.24Å; Q1138-R1175 VanDerWaalsContact OE1-CZ 3.25Å; I1139-R1175 WeakPolarHBondContact O-CB 3.42Å; I1139-R1175 PolarHBondContact O-N 2.7Å; A1140-R1175 VanDerWaalsContact CA-O 3.3Å; A1140-R1175 WeakPolarHBondContact CA-O 3.26Å; A1140-R1175 HydrophobicContact CB-CB 3.81Å; A1140-R1175 WeakPolarHBondContact CB-O 3.43Å; I1173-R1175 HydrophobicContact CG2-CG 4.42Å; R1175-D1192 IonicContact NH1-OD1 3.74Å
1176P94.8Very high87.3Confident3 Ų343 Ų432%0.01924%0.243CC..EExtended strand (participates in β ladder)trans-62.5154178.525.2-31.8000113.1A1141 E1143 L1148 L1151 A1174 T1187 N1189A1141-P1176 WeakPolarHBondContact O-CA 3.44Å; E1143-P1176 HydrophobicContact CG-CB 3.71Å; E1143-P1176 WeakPolarHBondContact OE1-CB 3.36Å; L1148-P1176 HydrophobicContact CD2-CB 3.69Å; L1148-P1176 HydrophobicContact CD2-CG 3.7Å; L1151-P1176 HydrophobicContact CD2-CB 3.84Å; L1151-P1176 HydrophobicContact CD2-CG 4.1Å; A1174-P1176 VanDerWaalsContact C-CD 3.45Å; P1176-T1187 WeakPolarHBondContact CG-OG1 3.42Å; P1176-T1187 PolarHBondContact O-N 2.91Å; P1176-T1187 PolarHBondContact O-OG1 2.97Å; P1176-N1189 VanDerWaalsContact CD-O 3.3Å; P1176-N1189 WeakPolarHBondContact CD-O 3.34Å; P1176-N1189 VanDerWaalsContact CG-C 3.49Å; P1176-N1189 HydrophobicContact CG-CB 3.62Å; P1176-N1189 WeakPolarHBondContact CG-O 3.38Å
1177Y95.7Very high87.4Confident0 Ų041 Ų410%023%0.229CC..EExtended strand (participates in β ladder)trans-147.2165.6177.164-90.4000111.5I1114 G1118 Q1121 I1128 A1140 A1141 H1142 E1143 F1184 T1185I1114-Y1177 HydrophobicContact CB-CD1 4.22Å; I1114-Y1177 HydrophobicContact CB-CE1 4.28Å; I1114-Y1177 HydrophobicContact CB-CG 4.4Å; I1114-Y1177 HydrophobicContact CD1-CG 4.4Å; I1114-Y1177 HydrophobicContact CG2-CD1 3.52Å; I1114-Y1177 HydrophobicContact CG2-CE1 3.67Å; I1114-Y1177 HydrophobicContact CG2-CG 4.11Å; G1118-Y1177 WeakPolarHBondContact CA-OH 3.4Å; Q1121-Y1177 VanDerWaalsContact CB-OH 3.32Å; Q1121-Y1177 WeakPolarHBondContact CB-OH 3.07Å; Q1121-Y1177 WeakPolarHBondContact CG-OH 3.39Å; Q1121-Y1177 PolarHBondContact OE1-OH 3Å; Q1121-Y1177 VanDerWaalsContact OE1-OH 3.07Å; I1128-Y1177 HydrophobicContact CD1-CE1 4.12Å; A1140-Y1177 HydrophobicContact CB-CD1 4.25Å; A1140-Y1177 HydrophobicContact CB-CE1 4.14Å; A1141-Y1177 VanDerWaalsContact O-CD1 3.24Å; A1141-Y1177 WeakPolarHBondContact O-CD1 3.4Å; A1141-Y1177 WeakPolarHBondContact O-CE1 3.44Å; A1141-Y1177 PolarHBondContact O-N 2.83Å; H1142-Y1177 VanDerWaalsContact CA-O 3.3Å; H1142-Y1177 WeakPolarHBondContact CA-O 2.95Å; H1142-Y1177 HydrophobicContact CB-CD2 4.26Å; H1142-Y1177 HydrophobicContact CB-CE2 3.71Å; H1142-Y1177 AromaticContact CD2-CD2 3.89Å; H1142-Y1177 AromaticContact CD2-CE2 3.75Å; E1143-Y1177 PolarHBondContact N-O 2.81Å; Y1177-F1184 HydrophobicContact CD2-CB 4.13Å; Y1177-F1184 AromaticContact CD2-CD1 3.8Å; Y1177-F1184 HydrophobicContact CD2-CD1 3.8Å; Y1177-F1184 HydrophobicContact CD2-CG 4.15Å; Y1177-F1184 AromaticContact CE2-CD1 3.74Å; Y1177-F1184 HydrophobicContact CE2-CD1 3.74Å; Y1177-F1184 HydrophobicContact CE2-CE1 4.05Å; Y1177-F1184 HydrophobicContact CE2-CG 4.15Å; Y1177-T1185 CarbonylContact C-O 3.02Å; Y1177-T1185 VanDerWaalsContact CA-O 3.31Å; Y1177-T1185 WeakPolarHBondContact CA-O 3.42Å; Y1177-T1185 WeakPolarHBondContact CB-O 2.99Å
1178V92.7Very high87Confident51 Ų5141.8 Ų41.831%0.30924%0.239SC..EExtended strand (participates in β ladder)trans-137.4167.6176.3-66.90000110.4E1143 T1185 T1187E1143-V1178 HydrophobicContact CB-CG1 4.03Å; E1143-V1178 HydrophobicContact CG-CG1 4.11Å; V1178-T1185 PolarHBondContact N-O 3.41Å; V1178-T1185 PolarHBondContact O-N 2.83Å; V1178-T1187 HydrophobicContact CB-CG2 4.27Å; V1178-T1187 HydrophobicContact CG1-CG2 3.75Å; V1178-T1187 HydrophobicContact CG2-CG2 3.73Å
1179G89.6Confident86.7Confident27 Ų2744 Ų4428%0.27825%0.25SS..SBendtrans114.9176.1177.200000113.4H1142 F1184H1142-G1179 PolarHBondContact CD2-O 2.88Å; H1142-G1179 WeakPolarHBondContact NE2-CA 3.49Å; H1142-G1179 PolarHBondContact NE2-N 2.94Å; H1142-G1179 PolarHBondContact NE2-O 2.78Å; G1179-F1184 WeakPolarHBondContact O-CD1 3.43Å; G1179-F1184 VanDerWaalsContact O-CE1 3.3Å; G1179-F1184 WeakPolarHBondContact O-CE1 3.41Å
1180E86Confident86.7Confident136 Ų13649 Ų4964%0.63627%0.269SS*.  trans-93.8158.5-177.9-69.4-72.1179.200111.6G1182 N1183E1180-G1182 PolarHBondContact O-N 3.18Å; E1180-N1183 CarbonylContact O-C 3.58Å; E1180-N1183 PolarHBondContact O-N 3.42Å
1181P81.4Confident86.9Confident56 Ų5653.3 Ų53.336%0.36429%0.289SS..THydrogen-bonded Turntrans-45.1119.9171.3-32.138.4000113.5E1119 M1122 F1184E1119-P1181 HydrophobicContact CB-CB 4.04Å; E1119-P1181 HydrophobicContact CB-CG 4.18Å; E1119-P1181 HydrophobicContact CG-CB 3.85Å; E1119-P1181 HydrophobicContact CG-CG 3.86Å; M1122-P1181 HydrophobicContact SD-CG 4.46Å; P1181-F1184 HydrophobicContact CB-CZ 4.33Å; P1181-F1184 HydrophobicContact CG-CZ 4.14Å
1182G78.1Confident86.7Confident76 Ų7651.5 Ų51.578%0.78429%0.286SS*.THydrogen-bonded Turntrans93.9-7.4-176.200000115.8E1180E1180-G1182 PolarHBondContact O-N 3.18Å
1183N87.1Confident86.3Confident124 Ų12452.9 Ų52.966%0.66329%0.291SS*.  trans-141.943.2178-16647.8000113.4E1180E1180-N1183 CarbonylContact O-C 3.58Å; E1180-N1183 PolarHBondContact O-N 3.42Å
1184F88.3Confident85.8Confident27 Ų2753.5 Ų53.512%0.11830%0.297CS..  trans-70.2135.9178.1-62-60.7000113.1I1114 G1118 E1119 M1122 Y1177 G1179 P1181I1114-F1184 HydrophobicContact CD1-CB 4Å; I1114-F1184 HydrophobicContact CG1-CB 4.31Å; I1114-F1184 WeakPolarHBondContact O-CD2 3.35Å; G1118-F1184 VanDerWaalsContact C-CE2 3.49Å; E1119-F1184 HydrophobicContact CB-CE2 4.47Å; E1119-F1184 HydrophobicContact CB-CZ 4.49Å; M1122-F1184 HydrophobicContact SD-CE1 3.48Å; M1122-F1184 WeakPolarHBondContact SD-CE1 3.39Å; M1122-F1184 HydrophobicContact SD-CZ 3.82Å; Y1177-F1184 HydrophobicContact CD2-CB 4.13Å; Y1177-F1184 AromaticContact CD2-CD1 3.8Å; Y1177-F1184 HydrophobicContact CD2-CD1 3.8Å; Y1177-F1184 HydrophobicContact CD2-CG 4.15Å; Y1177-F1184 AromaticContact CE2-CD1 3.74Å; Y1177-F1184 HydrophobicContact CE2-CD1 3.74Å; Y1177-F1184 HydrophobicContact CE2-CE1 4.05Å; Y1177-F1184 HydrophobicContact CE2-CG 4.15Å; G1179-F1184 WeakPolarHBondContact O-CD1 3.43Å; G1179-F1184 VanDerWaalsContact O-CE1 3.3Å; G1179-F1184 WeakPolarHBondContact O-CE1 3.41Å; P1181-F1184 HydrophobicContact CB-CZ 4.33Å; P1181-F1184 HydrophobicContact CG-CZ 4.14Å
1185T86.2Confident85.2Confident82 Ų8254.1 Ų54.150%0.50330%0.3SS..EExtended strand (participates in β ladder)trans-127.1122179.5-61.50000110Y1177 V1178Y1177-T1185 CarbonylContact C-O 3.02Å; Y1177-T1185 VanDerWaalsContact CA-O 3.31Å; Y1177-T1185 WeakPolarHBondContact CA-O 3.42Å; Y1177-T1185 WeakPolarHBondContact CB-O 2.99Å; V1178-T1185 PolarHBondContact N-O 3.41Å; V1178-T1185 PolarHBondContact O-N 2.83Å
1186R86.5Confident84.6Confident105 Ų10556.8 Ų56.840%0.39632%0.316SS..EExtended strand (participates in β ladder)trans-62.3134.1172.1-65.8-174.9-66.5-158.91.8110.5G1110 T1111 I1114G1110-R1186 WeakPolarHBondContact O-CD 3.3Å; T1111-R1186 VanDerWaalsContact CG2-CZ 3.49Å; I1114-R1186 HydrophobicContact CD1-CG 3.66Å
1187T81.8Confident83.9Confident28 Ų2857.1 Ų57.117%0.17232%0.318CS..  trans-83.8175.6177.759.80000111.7E1143 P1176 V1178 N1189E1143-T1187 WeakPolarHBondContact OE1-CB 3.34Å; E1143-T1187 WeakPolarHBondContact OE1-CG2 3.39Å; E1143-T1187 PolarHBondContact OE1-OG1 3.3Å; P1176-T1187 WeakPolarHBondContact CG-OG1 3.42Å; P1176-T1187 PolarHBondContact O-N 2.91Å; P1176-T1187 PolarHBondContact O-OG1 2.97Å; V1178-T1187 HydrophobicContact CB-CG2 4.27Å; V1178-T1187 HydrophobicContact CG1-CG2 3.75Å; V1178-T1187 HydrophobicContact CG2-CG2 3.73Å; T1187-N1189 VanDerWaalsContact C-N 3.26Å
1188S74.2Confident83.1Confident41 Ų4161.6 Ų61.629%0.28734%0.338SS..SBendtrans-76.1-11.2171.348.60000114S859 R1190S859-S1188 VanDerWaalsContact CB-CB 3.49Å; S859-S1188 VanDerWaalsContact CB-OG 3.27Å; S859-S1188 WeakPolarHBondContact CB-OG 3.41Å; S1188-R1190 PolarHBondContact O-N 3.01Å
1189N77.8Confident82.6Confident49 Ų4960.6 Ų60.626%0.26234%0.338SS..  trans-73.131.7-177.1-57.7-45.6000112.9E1143 L1148 Y1152 P1176 T1187E1143-N1189 PolarHBondContact OE1-ND2 2.78Å; E1143-N1189 PolarHBondContact OE2-ND2 2.95Å; L1148-N1189 HydrophobicContact CD1-CB 3.83Å; L1148-N1189 WeakPolarHBondContact CD1-ND2 3.3Å; L1148-N1189 HydrophobicContact CD2-CB 3.61Å; L1148-N1189 HydrophobicContact CG-CB 4.37Å; Y1152-N1189 WeakPolarHBondContact CE1-O 3.37Å; Y1152-N1189 PolarHBondContact OH-O 2.88Å; Y1152-N1189 VanDerWaalsContact OH-O 3.12Å; P1176-N1189 VanDerWaalsContact CD-O 3.3Å; P1176-N1189 WeakPolarHBondContact CD-O 3.34Å; P1176-N1189 VanDerWaalsContact CG-C 3.49Å; P1176-N1189 HydrophobicContact CG-CB 3.62Å; P1176-N1189 WeakPolarHBondContact CG-O 3.38Å; T1187-N1189 VanDerWaalsContact C-N 3.26Å
1190R85.7Confident82.5Confident107 Ų10765.6 Ų65.640%0.40435%0.352SS..  trans-60131.3163.8165.8-179.1-168.3-166.35.7108.3K861 S1188 D1192K861-R1190 VanDerWaalsContact NZ-NH1 3.18Å; S1188-R1190 PolarHBondContact O-N 3.01Å; R1190-D1192 WeakPolarHBondContact CD-OD1 3.29Å; R1190-D1192 WeakPolarHBondContact CG-OD1 3.36Å; R1190-D1192 IonicContact CZ-OD1 3.41Å; R1190-D1192 IonicContact CZ-OD2 2.74Å; R1190-D1192 IonicContact NE-OD1 2.66Å; R1190-D1192 PolarHBondContact NE-OD1 3.23Å; R1190-D1192 IonicContact NE-OD2 2.73Å; R1190-D1192 PolarHBondContact NE-OD2 3.37Å; R1190-D1192 IonicContact NH2-OD1 2.81Å; R1190-D1192 IonicContact NH2-OD2 3.74Å; R1190-D1192 PolarHBondContact NH2-OD2 2.92Å
1191H81.3Confident82.8Confident90 Ų9059.1 Ų59.142%0.41732%0.322SS..EExtended strand (participates in β ladder)trans-133.5132.7164.5-156.286.9000108.9Y1152 A1174 Y1193Y1152-H1191 HydrophobicContact CD1-CB 4.07Å; Y1152-H1191 HydrophobicContact CE1-CB 3.69Å; A1174-H1191 HydrophobicContact CB-CB 4.27Å; A1174-H1191 PolarHBondContact N-O 3.23Å; H1191-Y1193 HydrophobicContact CB-CE2 4.16Å; H1191-Y1193 AromaticContact CD2-CE1 3.74Å; H1191-Y1193 AromaticContact CD2-CE2 3.58Å; H1191-Y1193 AromaticContact CD2-CZ 3.43Å; H1191-Y1193 VanDerWaalsContact CD2-CZ 3.43Å
1192D82.3Confident83.3Confident47 Ų4756.5 Ų56.525%0.25131%0.305SS..EExtended strand (participates in β ladder)trans-115.8115.6-177.3-72.246.1000108.2I1173 R1175 R1190I1173-D1192 WeakPolarHBondContact CD1-OD2 3.14Å; I1173-D1192 HydrophobicContact CG1-CB 4.39Å; I1173-D1192 HydrophobicContact CG2-CB 4.4Å; I1173-D1192 VanDerWaalsContact CG2-CG 3.43Å; I1173-D1192 WeakPolarHBondContact CG2-OD1 3.29Å; R1175-D1192 IonicContact NH1-OD1 3.74Å; R1190-D1192 WeakPolarHBondContact CD-OD1 3.29Å; R1190-D1192 WeakPolarHBondContact CG-OD1 3.36Å; R1190-D1192 IonicContact CZ-OD1 3.41Å; R1190-D1192 IonicContact CZ-OD2 2.74Å; R1190-D1192 IonicContact NE-OD1 2.66Å; R1190-D1192 PolarHBondContact NE-OD1 3.23Å; R1190-D1192 IonicContact NE-OD2 2.73Å; R1190-D1192 PolarHBondContact NE-OD2 3.37Å; R1190-D1192 IonicContact NH2-OD1 2.81Å; R1190-D1192 IonicContact NH2-OD2 3.74Å; R1190-D1192 PolarHBondContact NH2-OD2 2.92Å
1193Y83.5Confident84.1Confident29 Ų2953 Ų5311%0.11427%0.268CS..EExtended strand (participates in β ladder)trans-94.999176.4-55.6-99.5000107.7Y1152 C1155 Q1156 R1159 R1171 I1172 H1191Y1152-Y1193 WeakPolarHBondContact CA-OH 3.28Å; Y1152-Y1193 VanDerWaalsContact CB-OH 3.3Å; Y1152-Y1193 WeakPolarHBondContact CB-OH 3.43Å; Y1152-Y1193 PolarHBondContact O-OH 3.21Å; C1155-Y1193 HydrophobicContact CB-CD2 3.74Å; C1155-Y1193 HydrophobicContact CB-CE2 3.28Å; Q1156-Y1193 HydrophobicContact CB-CE1 4.08Å; R1159-Y1193 WeakPolarHBondContact CD-O 3.36Å; R1171-Y1193 WeakPolarHBondContact CA-O 3.39Å; I1172-Y1193 PolarHBondContact N-O 2.95Å; I1172-Y1193 PolarHBondContact O-N 3.04Å; H1191-Y1193 HydrophobicContact CB-CE2 4.16Å; H1191-Y1193 AromaticContact CD2-CE1 3.74Å; H1191-Y1193 AromaticContact CD2-CE2 3.58Å; H1191-Y1193 AromaticContact CD2-CZ 3.43Å; H1191-Y1193 VanDerWaalsContact CD2-CZ 3.43Å
1194A80.9Confident84.4Confident19 Ų1947.9 Ų47.916%0.15724%0.241CC..EExtended strand (participates in β ladder)trans-73.8173.8172.700000112.3R1159 G1170 R1171 N1224R1159-A1194 WeakPolarHBondContact CD-O 3.32Å; R1159-A1194 PolarHBondContact NE-O 2.85Å; R1159-A1194 VanDerWaalsContact NE-O 3.16Å; G1170-A1194 CarbonylContact O-C 3.58Å; R1171-A1194 HydrophobicContact CG-CB 4.1Å; A1194-N1224 HydrophobicContact CB-CB 4.25Å
1195L80.8Confident84.6Confident13 Ų1347.2 Ų47.27%0.06824%0.24CC..PPolyproline II helixtrans-93.4131.7162.6-174.247.4000109.1W1066 F1077 R1159 K1163 G1170 F1198W1066-L1195 HydrophobicContact CH2-CB 4.15Å; W1066-L1195 HydrophobicContact CH2-CD2 4.29Å; W1066-L1195 HydrophobicContact CH2-CG 3.96Å; F1077-L1195 HydrophobicContact CE1-CD2 3.7Å; F1077-L1195 HydrophobicContact CZ-CD2 4.25Å; R1159-L1195 VanDerWaalsContact NH2-CB 3.32Å; R1159-L1195 VanDerWaalsContact NH2-CD1 3.32Å; K1163-L1195 HydrophobicContact CG-CD1 4.43Å; G1170-L1195 PolarHBondContact O-N 3.27Å; L1195-F1198 HydrophobicContact CD1-CE1 4.31Å; L1195-F1198 HydrophobicContact CD2-CE1 3.65Å; L1195-F1198 HydrophobicContact CD2-CE2 4.32Å; L1195-F1198 HydrophobicContact CD2-CZ 3.44Å; L1195-F1198 VanDerWaalsContact CD2-CZ 3.44Å; L1195-F1198 HydrophobicContact CG-CE1 4.32Å; L1195-F1198 HydrophobicContact CG-CZ 4.43Å
1196D81.4Confident84.9Confident83 Ų8343.3 Ų43.344%0.44422%0.216SC..PPolyproline II helixtrans-72.2143.3168.2-50.8-58.1000110F1198 N1224D1196-F1198 PolarHBondContact O-N 3.4Å; D1196-N1224 PolarHBondContact OD1-ND2 3.29Å
1197P81.5Confident85.3Confident9 Ų942.7 Ų42.76%0.05822%0.216CC..PPolyproline II helixtrans-47.6133.2171.4-27.731.6000113.5W1066 L1071 G1199 T1201 F1223 Q1226W1066-P1197 HydrophobicContact CD2-CB 4.16Å; W1066-P1197 HydrophobicContact CD2-CG 4.29Å; W1066-P1197 HydrophobicContact CE3-CB 4.35Å; W1066-P1197 HydrophobicContact CZ2-CB 4.46Å; W1066-P1197 HydrophobicContact CZ2-CG 4.05Å; L1071-P1197 HydrophobicContact CD1-CB 3.77Å; P1197-G1199 PolarHBondContact O-N 3.32Å; P1197-T1201 HydrophobicContact CB-CG2 4.22Å; P1197-F1223 HydrophobicContact CG-CB 4.49Å; P1197-F1223 HydrophobicContact CG-CD1 3.93Å; P1197-Q1226 VanDerWaalsContact CD-OE1 3.32Å; P1197-Q1226 HydrophobicContact CG-CB 4.27Å
1198F78.5Confident85.9Confident95 Ų9546.1 Ų46.142%0.41723%0.233SC..SBendtrans-63.5-6.1-171.8-63.4-64.2000116.2W1066 I1073 M1168 L1195 D1196W1066-F1198 HydrophobicContact CE3-CD2 4.07Å; W1066-F1198 HydrophobicContact CE3-CE2 4.35Å; W1066-F1198 AromaticContact CZ3-CD2 3.72Å; W1066-F1198 HydrophobicContact CZ3-CD2 3.72Å; W1066-F1198 AromaticContact CZ3-CE2 3.74Å; W1066-F1198 HydrophobicContact CZ3-CE2 3.74Å; W1066-F1198 HydrophobicContact CZ3-CG 4.38Å; W1066-F1198 HydrophobicContact CZ3-CZ 4.41Å; I1073-F1198 HydrophobicContact CD1-CD2 4.32Å; I1073-F1198 HydrophobicContact CD1-CE2 4.28Å; I1073-F1198 HydrophobicContact CG1-CD2 4.32Å; I1073-F1198 HydrophobicContact CG2-CD2 4.27Å; I1073-F1198 HydrophobicContact CG2-CE2 3.87Å; M1168-F1198 HydrophobicContact CE-CE1 3.88Å; M1168-F1198 HydrophobicContact CE-CE2 4.46Å; M1168-F1198 HydrophobicContact CE-CZ 3.5Å; M1168-F1198 HydrophobicContact SD-CE2 4.42Å; M1168-F1198 HydrophobicContact SD-CZ 3.72Å; L1195-F1198 HydrophobicContact CD1-CE1 4.31Å; L1195-F1198 HydrophobicContact CD2-CE1 3.65Å; L1195-F1198 HydrophobicContact CD2-CE2 4.32Å; L1195-F1198 HydrophobicContact CD2-CZ 3.44Å; L1195-F1198 VanDerWaalsContact CD2-CZ 3.44Å; L1195-F1198 HydrophobicContact CG-CE1 4.32Å; L1195-F1198 HydrophobicContact CG-CZ 4.43Å; D1196-F1198 PolarHBondContact O-N 3.4Å
1199G82.5Confident86.8Confident30 Ų3048.3 Ų48.331%0.30924%0.241SC..SBendtrans-161.1-179.2-179.700000111.6P1197 Q1226P1197-G1199 PolarHBondContact O-N 3.32Å; G1199-Q1226 PolarHBondContact O-NE2 2.77Å
1200K87.5Confident87.4Confident132 Ų13249.1 Ų49.157%0.57426%0.261SS*.  trans-71.4131.9172.1-80.6-157.6169.3-167.50110.9L1071 D1204 D1208L1071-K1200 WeakPolarHBondContact CD2-O 3.19Å; K1200-D1204 HydrophobicContact CB-CB 4.34Å; K1200-D1204 HydrophobicContact CD-CB 4.22Å; K1200-D1204 HydrophobicContact CG-CB 4.24Å; K1200-D1208 IonicContact NZ-OD2 2.7Å; K1200-D1208 PolarHBondContact NZ-OD2 3.07Å
1201T92.3Very high87.7Confident0 Ų046.6 Ų46.60%025%0.253CS..  trans-95.4169.2177.662.80000111.1A1069 L1071 P1197 L1203 D1204 S1205 F1223A1069-T1201 HydrophobicContact CB-CG2 4.08Å; A1069-T1201 WeakPolarHBondContact O-CA 3.44Å; L1071-T1201 HydrophobicContact CD1-CG2 4.14Å; L1071-T1201 HydrophobicContact CG-CG2 4.19Å; P1197-T1201 HydrophobicContact CB-CG2 4.22Å; T1201-L1203 PolarHBondContact O-N 3.1Å; T1201-L1203 WeakPolarHBondContact OG1-CB 3.49Å; T1201-L1203 PolarHBondContact OG1-N 3.25Å; T1201-D1204 PolarHBondContact N-OD2 3.49Å; T1201-D1204 WeakPolarHBondContact O-CB 3.5Å; T1201-D1204 PolarHBondContact O-N 2.96Å; T1201-D1204 VanDerWaalsContact O-N 3.13Å; T1201-D1204 PolarHBondContact OG1-N 3.01Å; T1201-D1204 PolarHBondContact OG1-OD2 2.93Å; T1201-S1205 PolarHBondContact O-N 3.01Å; T1201-S1205 VanDerWaalsContact O-N 3.15Å; T1201-F1223 HydrophobicContact CG2-CD1 4.36Å; T1201-F1223 HydrophobicContact CG2-CE1 4.25Å
1202V91.8Very high88.2Confident1 Ų145.1 Ų45.11%0.00625%0.248CC..Hα-helixtrans-59.7-27.2167.469.80000112.2A1069 S1205 L1206 A1346 I1349 A1350 T1358A1069-V1202 PolarHBondContact O-N 3.12Å; V1202-S1205 PolarHBondContact O-N 2.85Å; V1202-L1206 WeakPolarHBondContact O-CG 3.48Å; V1202-L1206 PolarHBondContact O-N 3.02Å; V1202-A1346 HydrophobicContact CB-CB 3.95Å; V1202-A1346 HydrophobicContact CG1-CB 3.87Å; V1202-I1349 HydrophobicContact CG2-CB 4.1Å; V1202-I1349 HydrophobicContact CG2-CG2 3.71Å; V1202-A1350 HydrophobicContact CG2-CB 4.19Å; V1202-T1358 HydrophobicContact CB-CG2 4.46Å
1203L94.3Very high88.7Confident1 Ų142.9 Ų42.91%0.00524%0.236CC..Hα-helixtrans-64.8-41.3175.8-47.6-177.7000110.7A1069 T1201 L1206 K1207 V1213 F1223 I1228 L1255 F1257A1069-L1203 HydrophobicContact CB-CG 4.42Å; T1201-L1203 PolarHBondContact O-N 3.1Å; T1201-L1203 WeakPolarHBondContact OG1-CB 3.49Å; T1201-L1203 PolarHBondContact OG1-N 3.25Å; L1203-L1206 PolarHBondContact O-N 3.29Å; L1203-K1207 WeakPolarHBondContact O-CB 3.33Å; L1203-K1207 PolarHBondContact O-N 3.2Å; L1203-V1213 HydrophobicContact CB-CG1 4.15Å; L1203-V1213 HydrophobicContact CD2-CG1 3.93Å; L1203-V1213 HydrophobicContact CG-CG1 4.44Å; L1203-F1223 HydrophobicContact CD1-CD1 3.89Å; L1203-F1223 HydrophobicContact CD1-CD2 3.82Å; L1203-F1223 HydrophobicContact CD1-CE1 3.91Å; L1203-F1223 HydrophobicContact CD1-CE2 3.85Å; L1203-F1223 HydrophobicContact CD1-CG 3.85Å; L1203-F1223 HydrophobicContact CD1-CZ 3.89Å; L1203-I1228 HydrophobicContact CD1-CD1 4Å; L1203-L1255 HydrophobicContact CD2-CD2 3.6Å; L1203-F1257 HydrophobicContact CD1-CD1 4.33Å; L1203-F1257 HydrophobicContact CD2-CD1 4.17Å
1204D92.9Very high89.2Confident18 Ų1842.1 Ų42.110%0.09623%0.234CC..Hα-helixtrans-64.4-43.1172.2-59.4-67.9000111.4K1200 T1201 L1206 K1207 D1208 Q1226 G1227K1200-D1204 HydrophobicContact CB-CB 4.34Å; K1200-D1204 HydrophobicContact CD-CB 4.22Å; K1200-D1204 HydrophobicContact CG-CB 4.24Å; T1201-D1204 PolarHBondContact N-OD2 3.49Å; T1201-D1204 WeakPolarHBondContact O-CB 3.5Å; T1201-D1204 PolarHBondContact O-N 2.96Å; T1201-D1204 VanDerWaalsContact O-N 3.13Å; T1201-D1204 PolarHBondContact OG1-N 3.01Å; T1201-D1204 PolarHBondContact OG1-OD2 2.93Å; D1204-L1206 VanDerWaalsContact C-N 3.32Å; D1204-L1206 PolarHBondContact O-N 2.94Å; D1204-K1207 PolarHBondContact O-N 2.91Å; D1204-D1208 VanDerWaalsContact O-CB 3.24Å; D1204-D1208 WeakPolarHBondContact O-CB 3.32Å; D1204-D1208 PolarHBondContact O-N 3.35Å; D1204-Q1226 WeakPolarHBondContact OD1-CG 3.36Å; D1204-Q1226 WeakPolarHBondContact OD2-CG 3.41Å; D1204-Q1226 PolarHBondContact OD2-NE2 2.89Å; D1204-G1227 WeakPolarHBondContact OD1-CA 3.31Å; D1204-G1227 PolarHBondContact OD1-N 3.23Å
1205S93.5Very high89.6Confident13 Ų1341.3 Ų41.39%0.09123%0.227CC..Hα-helixtrans-61-37.7175.8-74.10000113.1T1201 V1202 N1209 P1356T1201-S1205 PolarHBondContact O-N 3.01Å; T1201-S1205 VanDerWaalsContact O-N 3.15Å; V1202-S1205 PolarHBondContact O-N 2.85Å; S1205-N1209 WeakPolarHBondContact O-CB 3.4Å; S1205-N1209 PolarHBondContact O-N 2.92Å; S1205-N1209 PolarHBondContact O-ND2 3.07Å; S1205-P1356 WeakPolarHBondContact CB-O 3.42Å; S1205-P1356 PolarHBondContact OG-O 3.02Å
1206L92.6Very high90Very high0 Ų040.7 Ų40.70%022%0.224CC..Hα-helixtrans-64.8-55.4173.9-74.9172.4000110.8V1202 L1203 D1204 D1208 N1209 G1210 K1211 V1213 L1255 I1349 F1353 V1355V1202-L1206 WeakPolarHBondContact O-CG 3.48Å; V1202-L1206 PolarHBondContact O-N 3.02Å; L1203-L1206 PolarHBondContact O-N 3.29Å; D1204-L1206 VanDerWaalsContact C-N 3.32Å; D1204-L1206 PolarHBondContact O-N 2.94Å; L1206-D1208 PolarHBondContact O-N 3.03Å; L1206-N1209 CarbonylContact O-C 3.25Å; L1206-N1209 PolarHBondContact O-N 2.84Å; L1206-N1209 VanDerWaalsContact O-N 3.11Å; L1206-G1210 PolarHBondContact O-N 2.8Å; L1206-K1211 HydrophobicContact CB-CB 3.95Å; L1206-K1211 HydrophobicContact CD2-CB 3.8Å; L1206-K1211 HydrophobicContact CD2-CG 3.88Å; L1206-K1211 HydrophobicContact CG-CB 4.47Å; L1206-K1211 WeakPolarHBondContact O-CB 3.36Å; L1206-K1211 PolarHBondContact O-N 3.17Å; L1206-V1213 HydrophobicContact CB-CG2 3.57Å; L1206-V1213 HydrophobicContact CD1-CG2 3.97Å; L1206-V1213 HydrophobicContact CG-CG2 4.44Å; L1206-L1255 HydrophobicContact CD1-CB 3.66Å; L1206-L1255 HydrophobicContact CD1-CD2 4.02Å; L1206-I1349 HydrophobicContact CD1-CG2 3.93Å; L1206-I1349 HydrophobicContact CD2-CG2 4.46Å; L1206-I1349 HydrophobicContact CG-CG2 4.48Å; L1206-F1353 HydrophobicContact CD2-CB 3.75Å; L1206-F1353 HydrophobicContact CD2-CD2 3.67Å; L1206-F1353 HydrophobicContact CD2-CE2 4.46Å; L1206-F1353 HydrophobicContact CD2-CG 3.74Å; L1206-V1355 HydrophobicContact CD2-CG1 4.4Å; L1206-V1355 HydrophobicContact CD2-CG2 4.07Å; L1206-V1355 HydrophobicContact CG-CG2 4.48Å
1207K94.3Very high90.3Very high91 Ų9137.1 Ų37.140%0.39621%0.207SC..Hα-helixtrans-60.7-43.3-178176.6169174.2178.70113.3L1203 D1204 N1209 G1210 G1227 I1228 T1229L1203-K1207 WeakPolarHBondContact O-CB 3.33Å; L1203-K1207 PolarHBondContact O-N 3.2Å; D1204-K1207 PolarHBondContact O-N 2.91Å; K1207-N1209 PolarHBondContact O-N 2.82Å; K1207-G1210 PolarHBondContact O-N 3.12Å; K1207-G1210 VanDerWaalsContact O-N 3.12Å; K1207-G1227 WeakPolarHBondContact CB-O 3.44Å; K1207-G1227 VanDerWaalsContact CD-C 3.46Å; K1207-G1227 VanDerWaalsContact CD-O 3.26Å; K1207-G1227 WeakPolarHBondContact CD-O 3.26Å; K1207-I1228 WeakPolarHBondContact CD-O 3.15Å; K1207-I1228 WeakPolarHBondContact CE-O 3.29Å; K1207-I1228 PolarHBondContact NZ-O 2.86Å; K1207-T1229 HydrophobicContact CB-CG2 4.19Å; K1207-T1229 HydrophobicContact CD-CG2 4.19Å; K1207-T1229 HydrophobicContact CG-CG2 3.98Å
1208D93.4Very high90.5Very high101 Ų10141.1 Ų41.154%0.5422%0.224SC..Hα-helixtrans-63.7-27.1176.4-79.6-17.3000112.9K1200 D1204 L1206K1200-D1208 IonicContact NZ-OD2 2.7Å; K1200-D1208 PolarHBondContact NZ-OD2 3.07Å; D1204-D1208 VanDerWaalsContact O-CB 3.24Å; D1204-D1208 WeakPolarHBondContact O-CB 3.32Å; D1204-D1208 PolarHBondContact O-N 3.35Å; L1206-D1208 PolarHBondContact O-N 3.03Å
1209N94.1Very high91Very high86 Ų8636.6 Ų36.646%0.4620%0.204SC..THydrogen-bonded Turntrans-97.815.3177-70.9-84.4000113S1205 L1206 K1207 K1211 V1355 P1356S1205-N1209 WeakPolarHBondContact O-CB 3.4Å; S1205-N1209 PolarHBondContact O-N 2.92Å; S1205-N1209 PolarHBondContact O-ND2 3.07Å; L1206-N1209 CarbonylContact O-C 3.25Å; L1206-N1209 PolarHBondContact O-N 2.84Å; L1206-N1209 VanDerWaalsContact O-N 3.11Å; K1207-N1209 PolarHBondContact O-N 2.82Å; N1209-K1211 VanDerWaalsContact C-N 3.34Å; N1209-K1211 PolarHBondContact O-N 3.33Å; N1209-V1355 HydrophobicContact CB-CG1 3.71Å; N1209-P1356 VanDerWaalsContact ND2-CD 3.32Å; N1209-P1356 WeakPolarHBondContact ND2-CD 3.29Å
1210G91Very high91.3Very high66 Ų6637.5 Ų37.568%0.6820%0.201SC*.THydrogen-bonded Turntrans67.931.5175.500000113.9L1206 K1207L1206-G1210 PolarHBondContact O-N 2.8Å; K1207-G1210 PolarHBondContact O-N 3.12Å; K1207-G1210 VanDerWaalsContact O-N 3.12Å
1211K91Very high91Very high55 Ų5534.6 Ų34.624%0.23919%0.192CC..  trans-96.5146.4167-53.7-62.5-177.31770109.6L1206 N1209 T1253 F1353 V1355L1206-K1211 HydrophobicContact CB-CB 3.95Å; L1206-K1211 HydrophobicContact CD2-CB 3.8Å; L1206-K1211 HydrophobicContact CD2-CG 3.88Å; L1206-K1211 HydrophobicContact CG-CB 4.47Å; L1206-K1211 WeakPolarHBondContact O-CB 3.36Å; L1206-K1211 PolarHBondContact O-N 3.17Å; N1209-K1211 VanDerWaalsContact C-N 3.34Å; N1209-K1211 PolarHBondContact O-N 3.33Å; K1211-T1253 WeakPolarHBondContact CA-O 3.49Å; K1211-T1253 WeakPolarHBondContact CB-O 3.47Å; K1211-T1253 HydrophobicContact CD-CG2 4.29Å; K1211-T1253 WeakPolarHBondContact CD-O 3.11Å; K1211-F1353 HydrophobicContact CD-CD1 4.29Å; K1211-V1355 HydrophobicContact CG-CG1 4.31Å
1212D92.9Very high90.4Very high58 Ų5835.1 Ų35.131%0.3120%0.195SC..EExtended strand (participates in β ladder)trans-72.5146.1176.1-56.6-66.7000111.4I1214 F1252 T1253 G1254 L1255D1212-I1214 HydrophobicContact CB-CG1 4.31Å; D1212-F1252 HydrophobicContact CB-CB 4.43Å; D1212-F1252 HydrophobicContact CB-CD2 3.99Å; D1212-T1253 PolarHBondContact N-O 2.85Å; D1212-T1253 PolarHBondContact OD2-N 3.28Å; D1212-G1254 CarbonylContact O-C 3.58Å; D1212-G1254 VanDerWaalsContact O-CA 3.29Å; D1212-G1254 WeakPolarHBondContact O-CA 3.26Å; D1212-L1255 PolarHBondContact O-N 2.99Å
1213V92.4Very high90.2Very high0 Ų035.1 Ų35.10%020%0.195CC..EExtended strand (participates in β ladder)trans-134.992.3172.8-177.80000107.2L1203 L1206 G1227 I1228 T1229 D1230 L1255L1203-V1213 HydrophobicContact CB-CG1 4.15Å; L1203-V1213 HydrophobicContact CD2-CG1 3.93Å; L1203-V1213 HydrophobicContact CG-CG1 4.44Å; L1206-V1213 HydrophobicContact CB-CG2 3.57Å; L1206-V1213 HydrophobicContact CD1-CG2 3.97Å; L1206-V1213 HydrophobicContact CG-CG2 4.44Å; V1213-G1227 VanDerWaalsContact CB-O 3.31Å; V1213-G1227 WeakPolarHBondContact CB-O 3.45Å; V1213-G1227 WeakPolarHBondContact CG2-O 3.34Å; V1213-I1228 HydrophobicContact CG1-CD1 3.86Å; V1213-T1229 HydrophobicContact CB-CG2 4.33Å; V1213-T1229 PolarHBondContact N-OG1 2.99Å; V1213-T1229 PolarHBondContact O-N 3.32Å; V1213-T1229 PolarHBondContact O-OG1 2.88Å; V1213-D1230 PolarHBondContact O-N 2.68Å; V1213-L1255 CarbonylContact C-O 3.6Å; V1213-L1255 WeakPolarHBondContact CA-O 3.24Å
1214I93Very high89.7Confident13 Ų1338.7 Ų38.77%0.06721%0.214CC..EExtended strand (participates in β ladder)trans-95.5103.4-173.6-53.7174.5000108.6D1212 V1216 D1230 V1232 V1247 F1252 L1255 S1256 F1257D1212-I1214 HydrophobicContact CB-CG1 4.31Å; I1214-V1216 HydrophobicContact CG2-CG2 4.45Å; I1214-D1230 WeakPolarHBondContact CA-O 3.38Å; I1214-V1232 HydrophobicContact CG2-CG2 4.39Å; I1214-V1247 HydrophobicContact CB-CG1 4.28Å; I1214-V1247 HydrophobicContact CD1-CG1 3.74Å; I1214-V1247 HydrophobicContact CG2-CG1 4.01Å; I1214-V1247 HydrophobicContact CG2-CG2 3.75Å; I1214-F1252 HydrophobicContact CD1-CB 4.28Å; I1214-F1252 HydrophobicContact CD1-CD1 3.95Å; I1214-F1252 HydrophobicContact CD1-CD2 3.85Å; I1214-F1252 HydrophobicContact CD1-CE1 4.21Å; I1214-F1252 HydrophobicContact CD1-CE2 4.1Å; I1214-F1252 HydrophobicContact CD1-CG 3.77Å; I1214-F1252 HydrophobicContact CD1-CZ 4.28Å; I1214-L1255 PolarHBondContact N-O 2.71Å; I1214-S1256 WeakPolarHBondContact O-CA 3.3Å; I1214-F1257 PolarHBondContact O-N 3.04Å
1215A89.3Confident89.3Confident2 Ų239 Ų392%0.01722%0.221CC..EExtended strand (participates in β ladder)trans-81.8117.1-179.900000111.1I1219 N1220 I1228 D1230 A1231 V1232A1215-I1219 HydrophobicContact CB-CB 3.82Å; A1215-I1219 HydrophobicContact CB-CG2 3.62Å; A1215-N1220 HydrophobicContact CB-CB 4.04Å; A1215-I1228 HydrophobicContact CB-CD1 4.04Å; A1215-I1228 HydrophobicContact CB-CG1 4.24Å; A1215-I1228 HydrophobicContact CB-CG2 3.66Å; A1215-D1230 PolarHBondContact N-O 2.77Å; A1215-A1231 HydrophobicContact CB-CB 4.39Å; A1215-A1231 CarbonylContact O-C 3.58Å; A1215-A1231 WeakPolarHBondContact O-CA 3.42Å; A1215-V1232 PolarHBondContact O-N 2.85Å
1216V90.7Very high89.1Confident0 Ų040.5 Ų40.50%023%0.227CC..EExtended strand (participates in β ladder)trans-110.6131.4176.2-175.70000110.1I1214 V1232 T1234 K1243 V1247 F1257 T1258 N1259I1214-V1216 HydrophobicContact CG2-CG2 4.45Å; V1216-V1232 WeakPolarHBondContact CA-O 3.36Å; V1216-V1232 HydrophobicContact CG2-CB 4.47Å; V1216-T1234 HydrophobicContact CG1-CG2 3.72Å; V1216-K1243 HydrophobicContact CG1-CB 3.71Å; V1216-V1247 HydrophobicContact CG2-CG2 4.2Å; V1216-F1257 PolarHBondContact N-O 2.92Å; V1216-T1258 HydrophobicContact CB-CG2 4.05Å; V1216-T1258 WeakPolarHBondContact CB-OG1 3.1Å; V1216-T1258 HydrophobicContact CG1-CG2 3.98Å; V1216-N1259 PolarHBondContact O-N 3.1Å; V1216-N1259 VanDerWaalsContact O-N 3.09Å
1217G87.6Confident88.9Confident8 Ų840.5 Ų40.58%0.08223%0.227CC..EExtended strand (participates in β ladder)trans83.3-131.3-177.400000112.5V1232 T1234G1217-V1232 PolarHBondContact N-O 3.39Å; G1217-T1234 WeakPolarHBondContact CA-OG1 3.07Å
1218K85.4Confident88.8Confident93 Ų9336.7 Ų36.740%0.40421%0.211SC..THydrogen-bonded Turntrans-85.4-2.6-178.6-75.4-171.2-157.3162.10114.8N1220 D1221 I1222 V1261K1218-N1220 VanDerWaalsContact C-N 3.3Å; K1218-N1220 PolarHBondContact O-N 3.35Å; K1218-D1221 WeakPolarHBondContact O-CA 3.11Å; K1218-D1221 WeakPolarHBondContact O-CB 3.4Å; K1218-D1221 PolarHBondContact O-N 3.31Å; K1218-I1222 HydrophobicContact CB-CD1 3.87Å; K1218-I1222 HydrophobicContact CB-CG1 4.29Å; K1218-I1222 WeakPolarHBondContact O-CG1 3.49Å; K1218-I1222 PolarHBondContact O-N 2.64Å; K1218-V1261 HydrophobicContact CB-CG2 3.93Å; K1218-V1261 HydrophobicContact CD-CB 4.32Å; K1218-V1261 HydrophobicContact CD-CG1 4.1Å; K1218-V1261 HydrophobicContact CD-CG2 3.73Å; K1218-V1261 HydrophobicContact CG-CG2 3.78Å
1219I88Confident88.7Confident0 Ų034.9 Ų34.90%020%0.203CC..Hα-helixtrans-50.1-47.6-176.4-66.1-57.1000112.3H1065 A1215 D1221 I1222 F1223 I1228 F1257 N1259H1065-I1219 WeakPolarHBondContact CD2-CD1 3.38Å; H1065-I1219 VanDerWaalsContact NE2-CD1 3.33Å; H1065-I1219 WeakPolarHBondContact NE2-CD1 3.34Å; A1215-I1219 HydrophobicContact CB-CB 3.82Å; A1215-I1219 HydrophobicContact CB-CG2 3.62Å; I1219-D1221 VanDerWaalsContact C-N 3.29Å; I1219-D1221 PolarHBondContact O-N 2.84Å; I1219-I1222 PolarHBondContact O-N 3.22Å; I1219-I1222 VanDerWaalsContact O-N 3.1Å; I1219-F1223 HydrophobicContact CG2-CD2 3.88Å; I1219-F1223 HydrophobicContact CG2-CE2 4.15Å; I1219-F1223 WeakPolarHBondContact O-CD2 3.27Å; I1219-F1223 PolarHBondContact O-N 3.46Å; I1219-I1228 HydrophobicContact CG2-CD1 4.11Å; I1219-F1257 HydrophobicContact CD1-CD1 4.03Å; I1219-F1257 HydrophobicContact CD1-CD2 3.64Å; I1219-F1257 HydrophobicContact CD1-CE1 4Å; I1219-F1257 HydrophobicContact CD1-CE2 3.59Å; I1219-F1257 HydrophobicContact CD1-CG 3.87Å; I1219-F1257 HydrophobicContact CD1-CZ 3.78Å; I1219-F1257 HydrophobicContact CG1-CB 4.36Å; I1219-F1257 HydrophobicContact CG1-CD1 4.4Å; I1219-F1257 HydrophobicContact CG1-CD2 4.02Å; I1219-F1257 HydrophobicContact CG1-CE2 4.46Å; I1219-F1257 HydrophobicContact CG1-CG 3.98Å; I1219-F1257 WeakPolarHBondContact CG1-O 3.45Å; I1219-F1257 HydrophobicContact CG2-CB 4.18Å; I1219-F1257 HydrophobicContact CG2-CD1 3.87Å; I1219-F1257 HydrophobicContact CG2-CG 4.07Å; I1219-N1259 HydrophobicContact CD1-CB 3.54Å; I1219-N1259 HydrophobicContact CG1-CB 3.91Å
1220N89.1Confident88.6Confident49 Ų4935.3 Ų35.326%0.26221%0.206SC..Hα-helixtrans-59-38.8178.1179.986.7000113.1A1215 K1218 N1224 G1225 A1231A1215-N1220 HydrophobicContact CB-CB 4.04Å; K1218-N1220 VanDerWaalsContact C-N 3.3Å; K1218-N1220 PolarHBondContact O-N 3.35Å; N1220-N1224 CarbonylContact O-C 3.53Å; N1220-N1224 WeakPolarHBondContact O-CA 3.39Å; N1220-N1224 PolarHBondContact O-N 3.26Å; N1220-G1225 PolarHBondContact O-N 2.93Å; N1220-A1231 HydrophobicContact CB-CB 3.83Å
1221D81.1Confident88.4Confident71 Ų7134.2 Ų34.238%0.3819%0.191SC..Hα-helixtrans-75.9-24.1179.2-63.1-4000112.3K1218 I1219K1218-D1221 WeakPolarHBondContact O-CA 3.11Å; K1218-D1221 WeakPolarHBondContact O-CB 3.4Å; K1218-D1221 PolarHBondContact O-N 3.31Å; I1219-D1221 VanDerWaalsContact C-N 3.29Å; I1219-D1221 PolarHBondContact O-N 2.84Å
1222I81Confident88.1Confident12 Ų1233.5 Ų33.56%0.06219%0.191CC..Hα-helixtrans-81-34.8178.5-67.9162.2000111.4T1061 H1065 W1066 K1218 I1219 N1259T1061-I1222 HydrophobicContact CG2-CD1 3.87Å; T1061-I1222 HydrophobicContact CG2-CG1 4.45Å; H1065-I1222 HydrophobicContact CB-CG2 3.63Å; W1066-I1222 PolarHBondContact NE1-O 3.45Å; K1218-I1222 HydrophobicContact CB-CD1 3.87Å; K1218-I1222 HydrophobicContact CB-CG1 4.29Å; K1218-I1222 WeakPolarHBondContact O-CG1 3.49Å; K1218-I1222 PolarHBondContact O-N 2.64Å; I1219-I1222 PolarHBondContact O-N 3.22Å; I1219-I1222 VanDerWaalsContact O-N 3.1Å; I1222-N1259 WeakPolarHBondContact CD1-ND2 3.41Å
1223F86.4Confident87.6Confident0 Ų038.4 Ų38.40%021%0.205CC..THydrogen-bonded Turntrans-96.55175.1-68.2-81.9000113.7H1065 W1066 A1069 P1197 T1201 L1203 I1219 G1225 Q1226 F1257H1065-F1223 HydrophobicContact CB-CE2 4.19Å; H1065-F1223 HydrophobicContact CB-CZ 4Å; H1065-F1223 WeakPolarHBondContact O-CZ 3.49Å; W1066-F1223 AromaticContact CD1-CD1 3.78Å; W1066-F1223 AromaticContact CD1-CE1 3.47Å; W1066-F1223 VanDerWaalsContact CD1-CE1 3.47Å; W1066-F1223 HydrophobicContact CG-CE1 4.32Å; W1066-F1223 AromaticContact NE1-CD1 3.98Å; A1069-F1223 HydrophobicContact CB-CE1 3.53Å; A1069-F1223 HydrophobicContact CB-CZ 3.64Å; P1197-F1223 HydrophobicContact CG-CB 4.49Å; P1197-F1223 HydrophobicContact CG-CD1 3.93Å; T1201-F1223 HydrophobicContact CG2-CD1 4.36Å; T1201-F1223 HydrophobicContact CG2-CE1 4.25Å; L1203-F1223 HydrophobicContact CD1-CD1 3.89Å; L1203-F1223 HydrophobicContact CD1-CD2 3.82Å; L1203-F1223 HydrophobicContact CD1-CE1 3.91Å; L1203-F1223 HydrophobicContact CD1-CE2 3.85Å; L1203-F1223 HydrophobicContact CD1-CG 3.85Å; L1203-F1223 HydrophobicContact CD1-CZ 3.89Å; I1219-F1223 HydrophobicContact CG2-CD2 3.88Å; I1219-F1223 HydrophobicContact CG2-CE2 4.15Å; I1219-F1223 WeakPolarHBondContact O-CD2 3.27Å; I1219-F1223 PolarHBondContact O-N 3.46Å; F1223-G1225 PolarHBondContact O-N 3.39Å; F1223-G1225 VanDerWaalsContact O-N 3.12Å; F1223-Q1226 WeakPolarHBondContact O-CB 3.13Å; F1223-Q1226 PolarHBondContact O-N 3.04Å; F1223-F1257 HydrophobicContact CE2-CD1 4.17Å; F1223-F1257 AromaticContact CE2-CE1 3.58Å; F1223-F1257 HydrophobicContact CE2-CE1 3.58Å; F1223-F1257 HydrophobicContact CE2-CZ 4.38Å; F1223-F1257 AromaticContact CZ-CE1 3.87Å; F1223-F1257 HydrophobicContact CZ-CE1 3.87Å
1224N83.8Confident86.9Confident77 Ų7740.1 Ų40.141%0.41222%0.215SC..THydrogen-bonded Turntrans50.732.3-174.5-158.836.6000114.1A1194 D1196 N1220 Q1226A1194-N1224 HydrophobicContact CB-CB 4.25Å; D1196-N1224 PolarHBondContact OD1-ND2 3.29Å; N1220-N1224 CarbonylContact O-C 3.53Å; N1220-N1224 WeakPolarHBondContact O-CA 3.39Å; N1220-N1224 PolarHBondContact O-N 3.26Å; N1224-Q1226 VanDerWaalsContact C-N 3.26Å; N1224-Q1226 PolarHBondContact O-N 2.79Å
1225G85.2Confident86Confident24 Ų2446.8 Ų46.825%0.24724%0.244CC..THydrogen-bonded Turntrans75.1-1-174.200000116.1N1220 F1223 I1228N1220-G1225 PolarHBondContact O-N 2.93Å; F1223-G1225 PolarHBondContact O-N 3.39Å; F1223-G1225 VanDerWaalsContact O-N 3.12Å; G1225-I1228 PolarHBondContact O-N 3.46Å
1226Q88.7Confident85.5Confident44 Ų4447.6 Ų47.621%0.20625%0.25CC..THydrogen-bonded Turntrans-61.4139.3171.3-174.9173.6-32.100110.2P1197 G1199 D1204 F1223 N1224 I1228P1197-Q1226 VanDerWaalsContact CD-OE1 3.32Å; P1197-Q1226 HydrophobicContact CG-CB 4.27Å; G1199-Q1226 PolarHBondContact O-NE2 2.77Å; D1204-Q1226 WeakPolarHBondContact OD1-CG 3.36Å; D1204-Q1226 WeakPolarHBondContact OD2-CG 3.41Å; D1204-Q1226 PolarHBondContact OD2-NE2 2.89Å; F1223-Q1226 WeakPolarHBondContact O-CB 3.13Å; F1223-Q1226 PolarHBondContact O-N 3.04Å; N1224-Q1226 VanDerWaalsContact C-N 3.26Å; N1224-Q1226 PolarHBondContact O-N 2.79Å; Q1226-I1228 WeakPolarHBondContact O-CG1 3.49Å; Q1226-I1228 PolarHBondContact O-N 2.93Å
1227G89Confident85Confident0 Ų047.7 Ų47.70%025%0.25CC..THydrogen-bonded Turntrans65.9-16.3-174.900000117.9D1204 K1207 V1213D1204-G1227 WeakPolarHBondContact OD1-CA 3.31Å; D1204-G1227 PolarHBondContact OD1-N 3.23Å; K1207-G1227 WeakPolarHBondContact CB-O 3.44Å; K1207-G1227 VanDerWaalsContact CD-C 3.46Å; K1207-G1227 VanDerWaalsContact CD-O 3.26Å; K1207-G1227 WeakPolarHBondContact CD-O 3.26Å; V1213-G1227 VanDerWaalsContact CB-O 3.31Å; V1213-G1227 WeakPolarHBondContact CB-O 3.45Å; V1213-G1227 WeakPolarHBondContact CG2-O 3.34Å
1228I92.4Very high84.9Confident11 Ų1148.3 Ų48.36%0.05625%0.251CS..  trans-79.5137.7-171.2-51.4-44.1000112.6L1203 K1207 V1213 A1215 I1219 G1225 Q1226 D1230 A1231L1203-I1228 HydrophobicContact CD1-CD1 4Å; K1207-I1228 WeakPolarHBondContact CD-O 3.15Å; K1207-I1228 WeakPolarHBondContact CE-O 3.29Å; K1207-I1228 PolarHBondContact NZ-O 2.86Å; V1213-I1228 HydrophobicContact CG1-CD1 3.86Å; A1215-I1228 HydrophobicContact CB-CD1 4.04Å; A1215-I1228 HydrophobicContact CB-CG1 4.24Å; A1215-I1228 HydrophobicContact CB-CG2 3.66Å; I1219-I1228 HydrophobicContact CG2-CD1 4.11Å; G1225-I1228 PolarHBondContact O-N 3.46Å; Q1226-I1228 WeakPolarHBondContact O-CG1 3.49Å; Q1226-I1228 PolarHBondContact O-N 2.93Å; I1228-D1230 WeakPolarHBondContact CG2-O 3.43Å; I1228-A1231 HydrophobicContact CG2-CB 4.31Å
1229T90.9Very high84.9Confident63 Ų6344.6 Ų44.639%0.38724%0.235SC..SBendtrans-100.7-37.1172.167.90000113.2K1207 V1213K1207-T1229 HydrophobicContact CB-CG2 4.19Å; K1207-T1229 HydrophobicContact CD-CG2 4.19Å; K1207-T1229 HydrophobicContact CG-CG2 3.98Å; V1213-T1229 HydrophobicContact CB-CG2 4.33Å; V1213-T1229 PolarHBondContact N-OG1 2.99Å; V1213-T1229 PolarHBondContact O-N 3.32Å; V1213-T1229 PolarHBondContact O-OG1 2.88Å
1230D91.2Very high84.7Confident95 Ų9544.6 Ų44.651%0.50824%0.235SC..EExtended strand (participates in β ladder)trans-142.8154.4174.9-17019000110.8V1213 I1214 A1215 I1228V1213-D1230 PolarHBondContact O-N 2.68Å; I1214-D1230 WeakPolarHBondContact CA-O 3.38Å; A1215-D1230 PolarHBondContact N-O 2.77Å; I1228-D1230 WeakPolarHBondContact CG2-O 3.43Å
1231A86.5Confident84.6Confident44 Ų4442.4 Ų42.436%0.36422%0.224SC..EExtended strand (participates in β ladder)trans-141.9115-170.700000113.6A1215 N1220 I1228A1215-A1231 HydrophobicContact CB-CB 4.39Å; A1215-A1231 CarbonylContact O-C 3.58Å; A1215-A1231 WeakPolarHBondContact O-CA 3.42Å; N1220-A1231 HydrophobicContact CB-CB 3.83Å; I1228-A1231 HydrophobicContact CG2-CB 4.31Å
1232V85.7Confident85.1Confident40 Ų4039.5 Ų39.524%0.24221%0.208CC..EExtended strand (participates in β ladder)trans-109101.9-179.6-162.70000110.5I1214 A1215 V1216 G1217 K1243 V1247I1214-V1232 HydrophobicContact CG2-CG2 4.39Å; A1215-V1232 PolarHBondContact O-N 2.85Å; V1216-V1232 WeakPolarHBondContact CA-O 3.36Å; V1216-V1232 HydrophobicContact CG2-CB 4.47Å; G1217-V1232 PolarHBondContact N-O 3.39Å; V1232-K1243 HydrophobicContact CG1-CB 4.05Å; V1232-K1243 HydrophobicContact CG1-CD 4.13Å; V1232-K1243 HydrophobicContact CG1-CG 3.66Å; V1232-V1247 HydrophobicContact CG2-CG2 4.45Å
1233R81.8Confident85.5Confident161 Ų16140.7 Ų40.761%0.60821%0.213SC*.  trans-64.7141.7174.4-74.1-178.2172.2173.80.3111.3E860E860-R1233 IonicContact OE1-NH1 2.68Å; E860-R1233 PolarHBondContact OE1-NH1 3.37Å; E860-R1233 IonicContact OE2-NH1 2.73Å
1234T78.9Confident85.7Confident36 Ų3641.8 Ų41.822%0.22122%0.219CC..  trans-113.9153.8176.166.60000111.1V1216 G1217 D1239 K1243V1216-T1234 HydrophobicContact CG1-CG2 3.72Å; G1217-T1234 WeakPolarHBondContact CA-OG1 3.07Å; T1234-D1239 WeakPolarHBondContact CA-OD2 3.01Å; T1234-K1243 HydrophobicContact CG2-CG 4.41Å
1235K73.2Confident86.1Confident152 Ų15238.6 Ų38.666%0.66120%0.202SC*.SBendtrans-94.4-38.7179.8-56.8-178.1-148.9870113D1239K1235-D1239 HydrophobicContact CB-CB 4.41Å; K1235-D1239 WeakPolarHBondContact CG-OD2 3.48Å; K1235-D1239 PolarHBondContact N-OD2 3.04Å; K1235-D1239 IonicContact NZ-OD1 2.66Å; K1235-D1239 PolarHBondContact NZ-OD1 2.89Å; K1235-D1239 IonicContact NZ-OD2 3.81Å
1236S79.2Confident86.3Confident20 Ų2039.6 Ų39.614%0.1420%0.2CC..SBendtrans-155.6-171.4177.3860000108.3F986 D987 G1240 D1262F986-S1236 PolarHBondContact O-OG 3.06Å; D987-S1236 WeakPolarHBondContact OD1-CB 3.36Å; D987-S1236 PolarHBondContact OD1-OG 3.26Å; S1236-G1240 PolarHBondContact O-N 3.32Å; S1236-D1262 WeakPolarHBondContact CA-OD2 3.36Å; S1236-D1262 WeakPolarHBondContact CB-OD2 3.49Å
1237N80.3Confident86.2Confident1 Ų137.8 Ų37.81%0.00519%0.192CC..Hα-helixtrans-75.2-38.7-164.1-99.531.3000113.1D987 F988 G1240 V1241 L1260 V1261 D1262D987-N1237 HydrophobicContact CB-CB 3.58Å; D987-N1237 PolarHBondContact OD1-N 2.8Å; F988-N1237 VanDerWaalsContact CB-O 3.22Å; F988-N1237 WeakPolarHBondContact CB-O 3.36Å; F988-N1237 VanDerWaalsContact N-CB 3.33Å; F988-N1237 PolarHBondContact N-O 3.17Å; F988-N1237 WeakPolarHBondContact O-CB 3.29Å; F988-N1237 PolarHBondContact O-ND2 2.82Å; N1237-G1240 PolarHBondContact O-N 3.32Å; N1237-V1241 PolarHBondContact O-N 3.44Å; N1237-L1260 HydrophobicContact CB-CB 4.34Å; N1237-L1260 PolarHBondContact ND2-O 2.68Å; N1237-L1260 WeakPolarHBondContact O-CD1 3.29Å; N1237-L1260 WeakPolarHBondContact OD1-CA 3.35Å; N1237-L1260 WeakPolarHBondContact OD1-CB 3.45Å; N1237-L1260 PolarHBondContact OD1-O 3.07Å; N1237-V1261 PolarHBondContact OD1-N 3.12Å; N1237-D1262 HydrophobicContact CB-CB 4.03Å; N1237-D1262 VanDerWaalsContact CG-CB 3.41Å; N1237-D1262 PolarHBondContact N-OD2 3.05Å; N1237-D1262 PolarHBondContact ND2-N 2.85Å; N1237-D1262 WeakPolarHBondContact OD1-CB 3.36Å; N1237-D1262 PolarHBondContact OD1-N 3.43Å; N1237-D1262 PolarHBondContact OD1-OD2 3.01Å
1238M85.4Confident86.1Confident21 Ų2139.1 Ų39.110%0.10320%0.199CC..Hα-helixtrans-73.8-38.7172.4-69.8-120.8-173.500112.6F986 D987 F988 G1240 V1241 D1242 E1282 R1286F986-M1238 HydrophobicContact CB-CB 4.16Å; F986-M1238 HydrophobicContact CB-CE 3.98Å; F986-M1238 HydrophobicContact CB-CG 3.56Å; F986-M1238 HydrophobicContact CB-SD 4.05Å; F986-M1238 WeakPolarHBondContact O-CB 3.45Å; F986-M1238 VanDerWaalsContact O-CG 3.3Å; F986-M1238 WeakPolarHBondContact O-CG 3.41Å; F986-M1238 PolarHBondContact O-N 2.94Å; D987-M1238 VanDerWaalsContact CA-N 3.34Å; F988-M1238 HydrophobicContact CB-CG 4.33Å; F988-M1238 HydrophobicContact CD2-CE 3.36Å; F988-M1238 HydrophobicContact CD2-CG 3.6Å; F988-M1238 HydrophobicContact CD2-SD 3.23Å; F988-M1238 WeakPolarHBondContact CD2-SD 3.44Å; F988-M1238 HydrophobicContact CE2-CE 3.37Å; F988-M1238 HydrophobicContact CE2-CG 4.4Å; F988-M1238 HydrophobicContact CE2-SD 3.44Å; F988-M1238 WeakPolarHBondContact CE2-SD 3.4Å; F988-M1238 HydrophobicContact CG-CG 4.41Å; F988-M1238 HydrophobicContact CG-SD 4.37Å; F988-M1238 VanDerWaalsContact N-N 3.16Å; M1238-G1240 PolarHBondContact O-N 3.41Å; M1238-V1241 PolarHBondContact O-N 2.74Å; M1238-D1242 WeakPolarHBondContact O-CB 3.25Å; M1238-D1242 PolarHBondContact O-N 3.39Å; M1238-D1242 VanDerWaalsContact O-OD2 3.08Å; M1238-E1282 HydrophobicContact CE-CB 4.09Å; M1238-E1282 HydrophobicContact CE-CG 3.59Å; M1238-E1282 WeakPolarHBondContact CE-OE1 3.45Å; M1238-R1286 PolarHBondContact SD-NH1 2.68Å; M1238-R1286 VanDerWaalsContact SD-NH1 3.36Å
1239D84.8Confident85.8Confident15 Ų1544.5 Ų44.58%0.0822%0.221CC..Hα-helixtrans-49.3-34.8174.9-175.976.1000110.3T1234 K1235 K1243T1234-D1239 WeakPolarHBondContact CA-OD2 3.01Å; K1235-D1239 HydrophobicContact CB-CB 4.41Å; K1235-D1239 WeakPolarHBondContact CG-OD2 3.48Å; K1235-D1239 PolarHBondContact N-OD2 3.04Å; K1235-D1239 IonicContact NZ-OD1 2.66Å; K1235-D1239 PolarHBondContact NZ-OD1 2.89Å; K1235-D1239 IonicContact NZ-OD2 3.81Å; D1239-K1243 WeakPolarHBondContact O-CG 3.37Å; D1239-K1243 PolarHBondContact O-N 2.78Å
1240G84.3Confident85.5Confident0 Ų046.4 Ų46.40%023%0.229CC..Hα-helixtrans-80.6-28.7175.400000118.7S1236 N1237 M1238 K1243 L1244 L1260S1236-G1240 PolarHBondContact O-N 3.32Å; N1237-G1240 PolarHBondContact O-N 3.32Å; M1238-G1240 PolarHBondContact O-N 3.41Å; G1240-K1243 PolarHBondContact O-N 2.94Å; G1240-L1244 PolarHBondContact O-N 2.84Å; G1240-L1260 VanDerWaalsContact CA-CD2 3.47Å
1241V87Confident85.1Confident3 Ų349.9 Ų49.92%0.01825%0.248CC..Hα-helixtrans-77-281651390000112F988 N1237 M1238 K1243 L1244 L1245 L1260 I1290F988-V1241 HydrophobicContact CB-CB 3.8Å; F988-V1241 HydrophobicContact CB-CG2 4.16Å; F988-V1241 HydrophobicContact CD1-CB 3.42Å; F988-V1241 VanDerWaalsContact CD1-CB 3.42Å; F988-V1241 HydrophobicContact CD1-CG1 3.46Å; F988-V1241 VanDerWaalsContact CD1-CG1 3.46Å; F988-V1241 HydrophobicContact CD1-CG2 3.39Å; F988-V1241 HydrophobicContact CE1-CB 4.23Å; F988-V1241 HydrophobicContact CE1-CG1 3.75Å; F988-V1241 HydrophobicContact CE1-CG2 4.21Å; F988-V1241 HydrophobicContact CG-CB 3.69Å; F988-V1241 HydrophobicContact CG-CG1 3.92Å; F988-V1241 HydrophobicContact CG-CG2 4.06Å; F988-V1241 HydrophobicContact CZ-CG1 4.49Å; N1237-V1241 PolarHBondContact O-N 3.44Å; M1238-V1241 PolarHBondContact O-N 2.74Å; V1241-K1243 PolarHBondContact O-N 3.25Å; V1241-L1244 HydrophobicContact CG2-CB 4.3Å; V1241-L1244 HydrophobicContact CG2-CD2 4.09Å; V1241-L1244 CarbonylContact O-C 3.45Å; V1241-L1244 PolarHBondContact O-N 2.69Å; V1241-L1245 HydrophobicContact CG1-CD1 3.83Å; V1241-L1245 HydrophobicContact CG1-CG 4.27Å; V1241-L1245 WeakPolarHBondContact O-CB 3.43Å; V1241-L1245 VanDerWaalsContact O-CG 3.3Å; V1241-L1245 WeakPolarHBondContact O-CG 3.08Å; V1241-L1245 PolarHBondContact O-N 2.79Å; V1241-L1260 HydrophobicContact CB-CD1 4.3Å; V1241-L1260 HydrophobicContact CG2-CD1 3.88Å; V1241-I1290 HydrophobicContact CG1-CD1 4.42Å; V1241-I1290 HydrophobicContact CG2-CD1 3.98Å
1242D91.1Very high85.3Confident11 Ų1150.4 Ų50.46%0.05924%0.242CC..Hα-helixtrans-64.8-32.5168.6-63.9-39.1000110.6Q981 M1238 E1246 R1286Q981-D1242 WeakPolarHBondContact CG-OD2 3.4Å; Q981-D1242 PolarHBondContact NE2-OD1 2.97Å; Q981-D1242 PolarHBondContact NE2-OD2 3.23Å; M1238-D1242 WeakPolarHBondContact O-CB 3.25Å; M1238-D1242 PolarHBondContact O-N 3.39Å; M1238-D1242 VanDerWaalsContact O-OD2 3.08Å; D1242-E1246 WeakPolarHBondContact O-CB 3.33Å; D1242-E1246 VanDerWaalsContact O-CG 3.31Å; D1242-E1246 WeakPolarHBondContact O-CG 3.31Å; D1242-E1246 PolarHBondContact O-N 3.49Å; D1242-R1286 IonicContact OD1-CZ 3.73Å; D1242-R1286 VanDerWaalsContact OD1-CZ 3.25Å; D1242-R1286 IonicContact OD1-NH1 3.9Å; D1242-R1286 PolarHBondContact OD1-NH1 2.82Å; D1242-R1286 IonicContact OD1-NH2 2.64Å; D1242-R1286 PolarHBondContact OD1-NH2 3.5Å; D1242-R1286 IonicContact OD2-NH1 2.77Å
1243K90.1Very high85.4Confident36 Ų3652.3 Ų52.316%0.15725%0.254CS..Hα-helixtrans-72.8-36.9167.7-66.1-29.3175.9-172.90113.9V1216 V1232 T1234 D1239 G1240 V1241 E1246 V1247V1216-K1243 HydrophobicContact CG1-CB 3.71Å; V1232-K1243 HydrophobicContact CG1-CB 4.05Å; V1232-K1243 HydrophobicContact CG1-CD 4.13Å; V1232-K1243 HydrophobicContact CG1-CG 3.66Å; T1234-K1243 HydrophobicContact CG2-CG 4.41Å; D1239-K1243 WeakPolarHBondContact O-CG 3.37Å; D1239-K1243 PolarHBondContact O-N 2.78Å; G1240-K1243 PolarHBondContact O-N 2.94Å; V1241-K1243 PolarHBondContact O-N 3.25Å; K1243-E1246 VanDerWaalsContact CD-OE2 3.29Å; K1243-E1246 WeakPolarHBondContact CD-OE2 3.26Å; K1243-E1246 IonicContact NZ-OE1 3.65Å; K1243-E1246 PolarHBondContact NZ-OE1 3.33Å; K1243-E1246 IonicContact NZ-OE2 3.75Å; K1243-E1246 PolarHBondContact NZ-OE2 2.9Å; K1243-E1246 PolarHBondContact O-N 3.47Å; K1243-V1247 WeakPolarHBondContact O-CB 3.43Å; K1243-V1247 VanDerWaalsContact O-CG2 3.29Å; K1243-V1247 WeakPolarHBondContact O-CG2 3.18Å; K1243-V1247 PolarHBondContact O-N 2.97Å
1244L89.7Confident85.9Confident23 Ų2345.3 Ų45.312%0.1223%0.232CC..Hα-helixtrans-59.7-46.8169.3178.158.3000111.1G1240 V1241 E1246 V1247 M1248G1240-L1244 PolarHBondContact O-N 2.84Å; V1241-L1244 HydrophobicContact CG2-CB 4.3Å; V1241-L1244 HydrophobicContact CG2-CD2 4.09Å; V1241-L1244 CarbonylContact O-C 3.45Å; V1241-L1244 PolarHBondContact O-N 2.69Å; L1244-E1246 VanDerWaalsContact C-N 3.3Å; L1244-E1246 PolarHBondContact O-N 3.35Å; L1244-V1247 CarbonylContact O-C 3.11Å; L1244-V1247 PolarHBondContact O-N 3.18Å; L1244-V1247 VanDerWaalsContact O-N 3.12Å; L1244-M1248 HydrophobicContact CD1-CG 4.05Å; L1244-M1248 HydrophobicContact CD1-SD 3.99Å; L1244-M1248 HydrophobicContact CD2-SD 4.39Å; L1244-M1248 HydrophobicContact CG-CG 4.34Å; L1244-M1248 HydrophobicContact CG-SD 3.79Å; L1244-M1248 WeakPolarHBondContact O-CB 3.49Å; L1244-M1248 VanDerWaalsContact O-CG 3.26Å; L1244-M1248 WeakPolarHBondContact O-CG 3.36Å; L1244-M1248 PolarHBondContact O-N 2.82Å
1245L91.8Very high86.7Confident11 Ų1145 Ų456%0.05823%0.229CC..Hα-helixtrans-70.8-21178.3-69.3168.8000113.3V1241 M1248 K1249 R1286 E1289 I1290 A1293V1241-L1245 HydrophobicContact CG1-CD1 3.83Å; V1241-L1245 HydrophobicContact CG1-CG 4.27Å; V1241-L1245 WeakPolarHBondContact O-CB 3.43Å; V1241-L1245 VanDerWaalsContact O-CG 3.3Å; V1241-L1245 WeakPolarHBondContact O-CG 3.08Å; V1241-L1245 PolarHBondContact O-N 2.79Å; L1245-M1248 HydrophobicContact CD2-SD 4.4Å; L1245-K1249 WeakPolarHBondContact O-CD 3.37Å; L1245-K1249 WeakPolarHBondContact O-CE 3.2Å; L1245-K1249 WeakPolarHBondContact O-CG 3.15Å; L1245-R1286 VanDerWaalsContact CD1-NH2 3.35Å; L1245-E1289 HydrophobicContact CD1-CB 4.22Å; L1245-I1290 HydrophobicContact CD2-CG1 4.28Å; L1245-A1293 HydrophobicContact CD2-CB 3.71Å
1246E89.6Confident87.7Confident45 Ų4539 Ų3921%0.2121%0.206CC..Hα-helixtrans-75.1-42.3165.1-79.2170.2-151.300111.5T978 D1242 K1243 L1244 K1249 N1250T978-E1246 WeakPolarHBondContact CB-OE1 3.3Å; T978-E1246 WeakPolarHBondContact CG2-OE1 3.16Å; T978-E1246 PolarHBondContact OG1-OE1 2.86Å; D1242-E1246 WeakPolarHBondContact O-CB 3.33Å; D1242-E1246 VanDerWaalsContact O-CG 3.31Å; D1242-E1246 WeakPolarHBondContact O-CG 3.31Å; D1242-E1246 PolarHBondContact O-N 3.49Å; K1243-E1246 VanDerWaalsContact CD-OE2 3.29Å; K1243-E1246 WeakPolarHBondContact CD-OE2 3.26Å; K1243-E1246 IonicContact NZ-OE1 3.65Å; K1243-E1246 PolarHBondContact NZ-OE1 3.33Å; K1243-E1246 IonicContact NZ-OE2 3.75Å; K1243-E1246 PolarHBondContact NZ-OE2 2.9Å; K1243-E1246 PolarHBondContact O-N 3.47Å; L1244-E1246 VanDerWaalsContact C-N 3.3Å; L1244-E1246 PolarHBondContact O-N 3.35Å; E1246-K1249 WeakPolarHBondContact O-CB 3.37Å; E1246-K1249 PolarHBondContact O-N 2.74Å; E1246-N1250 PolarHBondContact O-ND2 2.74Å
1247V87.4Confident88.4Confident6 Ų639.6 Ų39.64%0.03621%0.206CC..Hα-helixtrans-64.8-41.6176.6169.40000111.6I1214 V1216 V1232 K1243 L1244 K1249 N1250 F1252I1214-V1247 HydrophobicContact CB-CG1 4.28Å; I1214-V1247 HydrophobicContact CD1-CG1 3.74Å; I1214-V1247 HydrophobicContact CG2-CG1 4.01Å; I1214-V1247 HydrophobicContact CG2-CG2 3.75Å; V1216-V1247 HydrophobicContact CG2-CG2 4.2Å; V1232-V1247 HydrophobicContact CG2-CG2 4.45Å; K1243-V1247 WeakPolarHBondContact O-CB 3.43Å; K1243-V1247 VanDerWaalsContact O-CG2 3.29Å; K1243-V1247 WeakPolarHBondContact O-CG2 3.18Å; K1243-V1247 PolarHBondContact O-N 2.97Å; L1244-V1247 CarbonylContact O-C 3.11Å; L1244-V1247 PolarHBondContact O-N 3.18Å; L1244-V1247 VanDerWaalsContact O-N 3.12Å; V1247-K1249 PolarHBondContact O-N 3.05Å; V1247-N1250 WeakPolarHBondContact O-CB 3.36Å; V1247-N1250 PolarHBondContact O-N 3.5Å; V1247-F1252 HydrophobicContact CG1-CD1 4.32Å; V1247-F1252 HydrophobicContact CG1-CE1 3.62Å; V1247-F1252 HydrophobicContact CG1-CZ 3.99Å
1248M87.6Confident89Confident28 Ų2841.2 Ų41.214%0.13822%0.216CC..THydrogen-bonded Turntrans-68-11.8175.2-67172.775.500114L1244 L1245 I1290 A1293 M1294L1244-M1248 HydrophobicContact CD1-CG 4.05Å; L1244-M1248 HydrophobicContact CD1-SD 3.99Å; L1244-M1248 HydrophobicContact CD2-SD 4.39Å; L1244-M1248 HydrophobicContact CG-CG 4.34Å; L1244-M1248 HydrophobicContact CG-SD 3.79Å; L1244-M1248 WeakPolarHBondContact O-CB 3.49Å; L1244-M1248 VanDerWaalsContact O-CG 3.26Å; L1244-M1248 WeakPolarHBondContact O-CG 3.36Å; L1244-M1248 PolarHBondContact O-N 2.82Å; L1245-M1248 HydrophobicContact CD2-SD 4.4Å; M1248-I1290 HydrophobicContact CE-CG2 4.18Å; M1248-I1290 WeakPolarHBondContact CE-O 3.3Å; M1248-I1290 HydrophobicContact SD-CG2 4.15Å; M1248-A1293 HydrophobicContact CE-CB 3.93Å; M1248-M1294 HydrophobicContact CE-CB 4.27Å; M1248-M1294 HydrophobicContact CE-CG 3.53Å
1249K85.3Confident89.2Confident123 Ų12340.9 Ų40.954%0.53522%0.215SC..THydrogen-bonded Turntrans-87-11.9170.3-70.8162.5-165.31670112.6G974 L1245 E1246 V1247G974-K1249 PolarHBondContact O-NZ 3.16Å; G974-K1249 VanDerWaalsContact O-NZ 3.07Å; L1245-K1249 WeakPolarHBondContact O-CD 3.37Å; L1245-K1249 WeakPolarHBondContact O-CE 3.2Å; L1245-K1249 WeakPolarHBondContact O-CG 3.15Å; E1246-K1249 WeakPolarHBondContact O-CB 3.37Å; E1246-K1249 PolarHBondContact O-N 2.74Å; V1247-K1249 PolarHBondContact O-N 3.05Å
1250N84.6Confident89.4Confident103 Ų10340.3 Ų40.355%0.55121%0.212SC*.SBendtrans-90.3143178.3-61.1-32.4000110.3E1246 V1247 F1252E1246-N1250 PolarHBondContact O-ND2 2.74Å; V1247-N1250 WeakPolarHBondContact O-CB 3.36Å; V1247-N1250 PolarHBondContact O-N 3.5Å; N1250-F1252 WeakPolarHBondContact O-CD1 3.44Å; N1250-F1252 PolarHBondContact O-N 3.5Å
1251D82.7Confident89.3Confident168 Ų16840.9 Ų40.990%0.89822%0.215SC*.  trans-80.6105.1172-174.715.2000108.8
1252F90.2Very high89Confident56 Ų5641.9 Ų41.925%0.24622%0.22CC..  trans-140163179.477.5-89.8000110.7D1212 I1214 V1247 N1250D1212-F1252 HydrophobicContact CB-CB 4.43Å; D1212-F1252 HydrophobicContact CB-CD2 3.99Å; I1214-F1252 HydrophobicContact CD1-CB 4.28Å; I1214-F1252 HydrophobicContact CD1-CD1 3.95Å; I1214-F1252 HydrophobicContact CD1-CD2 3.85Å; I1214-F1252 HydrophobicContact CD1-CE1 4.21Å; I1214-F1252 HydrophobicContact CD1-CE2 4.1Å; I1214-F1252 HydrophobicContact CD1-CG 3.77Å; I1214-F1252 HydrophobicContact CD1-CZ 4.28Å; V1247-F1252 HydrophobicContact CG1-CD1 4.32Å; V1247-F1252 HydrophobicContact CG1-CE1 3.62Å; V1247-F1252 HydrophobicContact CG1-CZ 3.99Å; N1250-F1252 WeakPolarHBondContact O-CD1 3.44Å; N1250-F1252 PolarHBondContact O-N 3.5Å
1253T88.8Confident88.7Confident79 Ų7941.7 Ų41.749%0.48522%0.219SC..SBendtrans-132.489.8179.1-60.10000110.9K1211 D1212K1211-T1253 WeakPolarHBondContact CA-O 3.49Å; K1211-T1253 WeakPolarHBondContact CB-O 3.47Å; K1211-T1253 HydrophobicContact CD-CG2 4.29Å; K1211-T1253 WeakPolarHBondContact CD-O 3.11Å; D1212-T1253 PolarHBondContact N-O 2.85Å; D1212-T1253 PolarHBondContact OD2-N 3.28Å
1254G92.7Very high88.2Confident14 Ų1441 Ų4114%0.14422%0.217CC..EExtended strand (participates in β ladder)trans171.6-141.7-179.600000112.1D1212 F1353D1212-G1254 CarbonylContact O-C 3.58Å; D1212-G1254 VanDerWaalsContact O-CA 3.29Å; D1212-G1254 WeakPolarHBondContact O-CA 3.26Å; G1254-F1353 WeakPolarHBondContact O-CZ 3.15Å
1255L94.5Very high87.5Confident30 Ų3041.6 Ų41.616%0.15723%0.225CC..EExtended strand (participates in β ladder)trans-111.1128.8-175179.367000111.1L1203 L1206 D1212 V1213 I1214 F1257 I1349L1203-L1255 HydrophobicContact CD2-CD2 3.6Å; L1206-L1255 HydrophobicContact CD1-CB 3.66Å; L1206-L1255 HydrophobicContact CD1-CD2 4.02Å; D1212-L1255 PolarHBondContact O-N 2.99Å; V1213-L1255 CarbonylContact C-O 3.6Å; V1213-L1255 WeakPolarHBondContact CA-O 3.24Å; I1214-L1255 PolarHBondContact N-O 2.71Å; L1255-F1257 HydrophobicContact CD2-CB 4.26Å; L1255-F1257 HydrophobicContact CG-CB 4.33Å; L1255-I1349 HydrophobicContact CD1-CD1 4.15Å; L1255-I1349 HydrophobicContact CD2-CD1 4.15Å
1256S94.2Very high86.7Confident27 Ų2743.4 Ų43.419%0.18924%0.235CC..EExtended strand (participates in β ladder)trans-92.8122.3153.7-176.40000108.4I1214I1214-S1256 WeakPolarHBondContact O-CA 3.3Å
1257F94Very high86.2Confident32 Ų3242.7 Ų42.714%0.1423%0.231CC..EExtended strand (participates in β ladder)trans-111.9113.6175.8-168176.9000107.5H1065 I1068 L1203 I1214 V1216 I1219 F1223 L1255H1065-F1257 AromaticContact CD2-CZ 3.69Å; I1068-F1257 HydrophobicContact CG2-CZ 4.05Å; L1203-F1257 HydrophobicContact CD1-CD1 4.33Å; L1203-F1257 HydrophobicContact CD2-CD1 4.17Å; I1214-F1257 PolarHBondContact O-N 3.04Å; V1216-F1257 PolarHBondContact N-O 2.92Å; I1219-F1257 HydrophobicContact CD1-CD1 4.03Å; I1219-F1257 HydrophobicContact CD1-CD2 3.64Å; I1219-F1257 HydrophobicContact CD1-CE1 4Å; I1219-F1257 HydrophobicContact CD1-CE2 3.59Å; I1219-F1257 HydrophobicContact CD1-CG 3.87Å; I1219-F1257 HydrophobicContact CD1-CZ 3.78Å; I1219-F1257 HydrophobicContact CG1-CB 4.36Å; I1219-F1257 HydrophobicContact CG1-CD1 4.4Å; I1219-F1257 HydrophobicContact CG1-CD2 4.02Å; I1219-F1257 HydrophobicContact CG1-CE2 4.46Å; I1219-F1257 HydrophobicContact CG1-CG 3.98Å; I1219-F1257 WeakPolarHBondContact CG1-O 3.45Å; I1219-F1257 HydrophobicContact CG2-CB 4.18Å; I1219-F1257 HydrophobicContact CG2-CD1 3.87Å; I1219-F1257 HydrophobicContact CG2-CG 4.07Å; F1223-F1257 HydrophobicContact CE2-CD1 4.17Å; F1223-F1257 AromaticContact CE2-CE1 3.58Å; F1223-F1257 HydrophobicContact CE2-CE1 3.58Å; F1223-F1257 HydrophobicContact CE2-CZ 4.38Å; F1223-F1257 AromaticContact CZ-CE1 3.87Å; F1223-F1257 HydrophobicContact CZ-CE1 3.87Å; L1255-F1257 HydrophobicContact CD2-CB 4.26Å; L1255-F1257 HydrophobicContact CG-CB 4.33Å
1258T93.6Very high85.9Confident34 Ų3442.4 Ų42.421%0.20923%0.229CC..EExtended strand (participates in β ladder)trans-114.4129.2-175.9-60.80000110.4V1216 L1260V1216-T1258 HydrophobicContact CB-CG2 4.05Å; V1216-T1258 WeakPolarHBondContact CB-OG1 3.1Å; V1216-T1258 HydrophobicContact CG1-CG2 3.98Å; T1258-L1260 HydrophobicContact CG2-CD1 4.07Å; T1258-L1260 HydrophobicContact CG2-CD2 3.62Å; T1258-L1260 HydrophobicContact CG2-CG 3.78Å
1259N89.4Confident85.3Confident14 Ų1444.2 Ų44.28%0.07524%0.237CC..EExtended strand (participates in β ladder)trans-128.5122170.4171.30.3000110.1H1065 V1216 I1219 I1222 V1261H1065-N1259 PolarHBondContact CE1-ND2 3.06Å; H1065-N1259 PolarHBondContact NE2-ND2 2.84Å; V1216-N1259 PolarHBondContact O-N 3.1Å; V1216-N1259 VanDerWaalsContact O-N 3.09Å; I1219-N1259 HydrophobicContact CD1-CB 3.54Å; I1219-N1259 HydrophobicContact CG1-CB 3.91Å; I1222-N1259 WeakPolarHBondContact CD1-ND2 3.41Å; N1259-V1261 WeakPolarHBondContact OD1-CG2 3.14Å
1260L89.3Confident84.9Confident4 Ų446.1 Ų46.12%0.02124%0.241CC..  trans-114100.6-176.4-44.8177.6000109.6F988 P989 N1237 G1240 V1241 T1258 D1262F988-L1260 HydrophobicContact CB-CD1 3.96Å; P989-L1260 HydrophobicContact CG-CD1 4.46Å; P989-L1260 WeakPolarHBondContact O-CB 3.21Å; P989-L1260 VanDerWaalsContact O-CD1 3.25Å; P989-L1260 WeakPolarHBondContact O-CD1 3.25Å; P989-L1260 WeakPolarHBondContact O-CG 3.09Å; N1237-L1260 HydrophobicContact CB-CB 4.34Å; N1237-L1260 PolarHBondContact ND2-O 2.68Å; N1237-L1260 WeakPolarHBondContact O-CD1 3.29Å; N1237-L1260 WeakPolarHBondContact OD1-CA 3.35Å; N1237-L1260 WeakPolarHBondContact OD1-CB 3.45Å; N1237-L1260 PolarHBondContact OD1-O 3.07Å; G1240-L1260 VanDerWaalsContact CA-CD2 3.47Å; V1241-L1260 HydrophobicContact CB-CD1 4.3Å; V1241-L1260 HydrophobicContact CG2-CD1 3.88Å; T1258-L1260 HydrophobicContact CG2-CD1 4.07Å; T1258-L1260 HydrophobicContact CG2-CD2 3.62Å; T1258-L1260 HydrophobicContact CG2-CG 3.78Å; L1260-D1262 PolarHBondContact O-N 3.26Å
1261V81.8Confident84.8Confident12 Ų1243.6 Ų43.67%0.07322%0.224CC..THydrogen-bonded Turntrans-90.1-4.3-152.1-162.60000114.2K1218 N1237 N1259 F1263 D1264 A1265K1218-V1261 HydrophobicContact CB-CG2 3.93Å; K1218-V1261 HydrophobicContact CD-CB 4.32Å; K1218-V1261 HydrophobicContact CD-CG1 4.1Å; K1218-V1261 HydrophobicContact CD-CG2 3.73Å; K1218-V1261 HydrophobicContact CG-CG2 3.78Å; N1237-V1261 PolarHBondContact OD1-N 3.12Å; N1259-V1261 WeakPolarHBondContact OD1-CG2 3.14Å; V1261-F1263 PolarHBondContact O-N 3.01Å; V1261-D1264 HydrophobicContact CG1-CB 4.42Å; V1261-D1264 PolarHBondContact O-N 2.97Å; V1261-D1264 VanDerWaalsContact O-N 3.1Å; V1261-A1265 WeakPolarHBondContact O-CB 3.45Å; V1261-A1265 PolarHBondContact O-N 3.01Å
1262D81.8Confident84.8Confident24 Ų2438.4 Ų38.413%0.12820%0.196CC..Hα-helixtrans-70.3-20.8-178.3-64.8-40.9000113S1236 N1237 L1260 D1264 L1266 F1267S1236-D1262 WeakPolarHBondContact CA-OD2 3.36Å; S1236-D1262 WeakPolarHBondContact CB-OD2 3.49Å; N1237-D1262 HydrophobicContact CB-CB 4.03Å; N1237-D1262 VanDerWaalsContact CG-CB 3.41Å; N1237-D1262 PolarHBondContact N-OD2 3.05Å; N1237-D1262 PolarHBondContact ND2-N 2.85Å; N1237-D1262 WeakPolarHBondContact OD1-CB 3.36Å; N1237-D1262 PolarHBondContact OD1-N 3.43Å; N1237-D1262 PolarHBondContact OD1-OD2 3.01Å; L1260-D1262 PolarHBondContact O-N 3.26Å; D1262-D1264 VanDerWaalsContact C-N 3.26Å; D1262-D1264 PolarHBondContact O-N 3.46Å; D1262-L1266 HydrophobicContact CB-CB 4.19Å; D1262-L1266 HydrophobicContact CB-CD1 3.62Å; D1262-L1266 HydrophobicContact CB-CG 3.6Å; D1262-L1266 WeakPolarHBondContact O-CA 3.4Å; D1262-L1266 VanDerWaalsContact O-CB 3.25Å; D1262-L1266 WeakPolarHBondContact O-CB 3.3Å; D1262-L1266 PolarHBondContact O-N 2.98Å; D1262-F1267 WeakPolarHBondContact O-CD2 3.45Å; D1262-F1267 PolarHBondContact O-N 3.4Å
1263F84.6Confident84.5Confident7 Ų736.4 Ų36.43%0.03119%0.188CC..Iπ-helixtrans-54.8-44165.9-83.2-37.3000112.6P989 G990 I992 V1261 F1267 G1268 Y1276 A1279 I1280P989-F1263 VanDerWaalsContact CA-CE2 3.4Å; P989-F1263 HydrophobicContact CB-CD2 4.37Å; P989-F1263 HydrophobicContact CB-CE2 3.55Å; P989-F1263 HydrophobicContact CB-CZ 4.38Å; G990-F1263 WeakPolarHBondContact O-CD2 3.38Å; G990-F1263 WeakPolarHBondContact O-CE2 3.46Å; I992-F1263 HydrophobicContact CG2-CB 4.5Å; I992-F1263 HydrophobicContact CG2-CD2 4.32Å; I992-F1263 HydrophobicContact CG2-CG 4.47Å; V1261-F1263 PolarHBondContact O-N 3.01Å; F1263-F1267 HydrophobicContact CD1-CD2 4.01Å; F1263-G1268 PolarHBondContact O-N 3.46Å; F1263-Y1276 HydrophobicContact CB-CE2 3.59Å; F1263-Y1276 AromaticContact CD1-CD2 3.38Å; F1263-Y1276 HydrophobicContact CD1-CD2 3.38Å; F1263-Y1276 AromaticContact CD1-CE2 3.22Å; F1263-Y1276 HydrophobicContact CD1-CE2 3.22Å; F1263-Y1276 HydrophobicContact CD2-CE2 4.46Å; F1263-Y1276 AromaticContact CE1-CD2 3.8Å; F1263-Y1276 HydrophobicContact CE1-CD2 3.8Å; F1263-Y1276 AromaticContact CE1-CE2 3.97Å; F1263-Y1276 HydrophobicContact CE1-CE2 3.97Å; F1263-Y1276 HydrophobicContact CG-CD2 4.19Å; F1263-Y1276 AromaticContact CG-CE2 3.54Å; F1263-Y1276 HydrophobicContact CG-CE2 3.54Å; F1263-Y1276 PolarHBondContact O-OH 3.11Å; F1263-A1279 HydrophobicContact CD1-CB 4.06Å; F1263-A1279 HydrophobicContact CE1-CB 3.35Å; F1263-A1279 VanDerWaalsContact CZ-C 3.47Å; F1263-A1279 HydrophobicContact CZ-CB 4.07Å; F1263-A1279 WeakPolarHBondContact CZ-O 3.38Å; F1263-I1280 HydrophobicContact CE1-CG1 3.66Å; F1263-I1280 HydrophobicContact CE2-CG1 4.48Å; F1263-I1280 HydrophobicContact CZ-CB 4.23Å; F1263-I1280 HydrophobicContact CZ-CG1 3.57Å
1264D78.2Confident84.2Confident21 Ų2135.1 Ų35.111%0.11218%0.18CC..Iπ-helixtrans-78-51.6176.2-169.949.3000111.9V1261 D1262 H1269 H1306 N1308 H1317V1261-D1264 HydrophobicContact CG1-CB 4.42Å; V1261-D1264 PolarHBondContact O-N 2.97Å; V1261-D1264 VanDerWaalsContact O-N 3.1Å; D1262-D1264 VanDerWaalsContact C-N 3.26Å; D1262-D1264 PolarHBondContact O-N 3.46Å; D1264-H1269 WeakPolarHBondContact O-CB 3.38Å; D1264-H1269 PolarHBondContact O-CD2 3.37Å; D1264-H1269 PolarHBondContact O-N 2.75Å; D1264-H1269 IonicContact OD1-CD2 3.75Å; D1264-H1269 IonicContact OD1-NE2 3.18Å; D1264-H1269 IonicContact OD2-CD2 3.81Å; D1264-H1269 PolarHBondContact OD2-CD2 3.27Å; D1264-H1269 IonicContact OD2-NE2 3.36Å; D1264-H1269 PolarHBondContact OD2-NE2 2.93Å; D1264-H1306 IonicContact OD1-CE1 3.78Å; D1264-N1308 PolarHBondContact OD1-ND2 3.12Å; D1264-H1317 VanDerWaalsContact CG-NE2 3.3Å; D1264-H1317 IonicContact OD1-CD2 2.71Å; D1264-H1317 PolarHBondContact OD1-CD2 2.66Å; D1264-H1317 IonicContact OD1-NE2 3.74Å; D1264-H1317 PolarHBondContact OD1-NE2 3.13Å; D1264-H1317 IonicContact OD2-CE1 2.79Å; D1264-H1317 IonicContact OD2-NE2 2.71Å; D1264-H1317 PolarHBondContact OD2-NE2 3.36Å
1265A75Confident83.7Confident35 Ų3534.8 Ų34.829%0.28918%0.176SC..Iπ-helixtrans-82.5-22.9-168.100000115.8V1261 R1270V1261-A1265 WeakPolarHBondContact O-CB 3.45Å; V1261-A1265 PolarHBondContact O-N 3.01Å; A1265-R1270 PolarHBondContact O-NE 2.88Å; A1265-R1270 VanDerWaalsContact O-NE 3.14Å; A1265-R1270 PolarHBondContact O-NH2 3.13Å; A1265-R1270 VanDerWaalsContact O-NH2 3.15Å
1266L74.9Confident83.3Confident50 Ų5033.6 Ų33.626%0.26217%0.17SC..Iπ-helixtrans-108.4-30.8177.9-53.1-169.3000113.2D1262 R1270D1262-L1266 HydrophobicContact CB-CB 4.19Å; D1262-L1266 HydrophobicContact CB-CD1 3.62Å; D1262-L1266 HydrophobicContact CB-CG 3.6Å; D1262-L1266 WeakPolarHBondContact O-CA 3.4Å; D1262-L1266 VanDerWaalsContact O-CB 3.25Å; D1262-L1266 WeakPolarHBondContact O-CB 3.3Å; D1262-L1266 PolarHBondContact O-N 2.98Å; L1266-R1270 WeakPolarHBondContact O-CB 3.47Å; L1266-R1270 WeakPolarHBondContact O-CD 3.38Å; L1266-R1270 WeakPolarHBondContact O-CG 3.23Å
1267F80.8Confident83Confident29 Ų2932.4 Ų32.413%0.12716%0.162CC..Iπ-helixtrans-115.2-53-171.7-53-59.6000114D1262 F1263 R1270 R1271 D1272 G1275 Y1276 A1279D1262-F1267 WeakPolarHBondContact O-CD2 3.45Å; D1262-F1267 PolarHBondContact O-N 3.4Å; F1263-F1267 HydrophobicContact CD1-CD2 4.01Å; F1267-R1270 CarbonylContact O-C 3.57Å; F1267-R1270 PolarHBondContact O-N 3.01Å; F1267-R1271 PolarHBondContact O-N 3.02Å; F1267-D1272 PolarHBondContact O-N 3.11Å; F1267-D1272 VanDerWaalsContact O-N 3.1Å; F1267-G1275 VanDerWaalsContact CD1-C 3.43Å; F1267-Y1276 HydrophobicContact CB-CD1 3.81Å; F1267-Y1276 HydrophobicContact CB-CD2 4.14Å; F1267-Y1276 HydrophobicContact CB-CE1 4.37Å; F1267-Y1276 HydrophobicContact CB-CG 3.68Å; F1267-A1279 HydrophobicContact CD2-CB 4.15Å; F1267-A1279 HydrophobicContact CE2-CB 3.62Å; F1267-A1279 HydrophobicContact CZ-CB 4.2Å
1268G80.1Confident82.6Confident0 Ų034.5 Ų34.50%017%0.172CC..Iπ-helixtrans-65.6-63.8-176.500000113.8F1263 R1270 R1271 N1308F1263-G1268 PolarHBondContact O-N 3.46Å; G1268-R1270 PolarHBondContact O-N 3.25Å; G1268-R1271 PolarHBondContact O-N 3.4Å; G1268-R1271 PolarHBondContact O-NH1 2.89Å; G1268-N1308 VanDerWaalsContact C-ND2 3.35Å; G1268-N1308 WeakPolarHBondContact CA-ND2 3.39Å
1269H75.2Confident82.1Confident67 Ų6733 Ų3331%0.3116%0.163SC..THydrogen-bonded Turntrans-58.4-16.8175.5-74.5-51.5000113.6D1264 N1308 T1315 H1317D1264-H1269 WeakPolarHBondContact O-CB 3.38Å; D1264-H1269 PolarHBondContact O-CD2 3.37Å; D1264-H1269 PolarHBondContact O-N 2.75Å; D1264-H1269 IonicContact OD1-CD2 3.75Å; D1264-H1269 IonicContact OD1-NE2 3.18Å; D1264-H1269 IonicContact OD2-CD2 3.81Å; D1264-H1269 PolarHBondContact OD2-CD2 3.27Å; D1264-H1269 IonicContact OD2-NE2 3.36Å; D1264-H1269 PolarHBondContact OD2-NE2 2.93Å; H1269-N1308 PolarHBondContact N-ND2 3.19Å; H1269-N1308 VanDerWaalsContact N-ND2 3.19Å; H1269-T1315 PolarHBondContact ND1-O 3.19Å; H1269-H1317 AromaticContact CE1-CD2 3.58Å; H1269-H1317 AromaticContact CE1-CE1 3.85Å; H1269-H1317 AromaticContact CE1-NE2 3.18Å; H1269-H1317 PolarHBondContact CE1-NE2 2.72Å; H1269-H1317 AromaticContact NE2-CE1 3.95Å; H1269-H1317 AromaticContact NE2-NE2 3.27Å; H1269-H1317 PolarHBondContact NE2-NE2 2.9Å
1270R77.4Confident82.1Confident163 Ų16332.5 Ų32.562%0.61516%0.16SC*.THydrogen-bonded Turntrans-99.4-6.1178.1-52.8-159.7-166.1167.50.5114.3A1265 L1266 F1267 G1268 D1272A1265-R1270 PolarHBondContact O-NE 2.88Å; A1265-R1270 VanDerWaalsContact O-NE 3.14Å; A1265-R1270 PolarHBondContact O-NH2 3.13Å; A1265-R1270 VanDerWaalsContact O-NH2 3.15Å; L1266-R1270 WeakPolarHBondContact O-CB 3.47Å; L1266-R1270 WeakPolarHBondContact O-CD 3.38Å; L1266-R1270 WeakPolarHBondContact O-CG 3.23Å; F1267-R1270 CarbonylContact O-C 3.57Å; F1267-R1270 PolarHBondContact O-N 3.01Å; G1268-R1270 PolarHBondContact O-N 3.25Å; R1270-D1272 PolarHBondContact O-N 3.5Å
1271R81Confident82.2Confident50 Ų5035 Ų3519%0.18917%0.172CC..THydrogen-bonded Turntrans54.631.3-177.6-54.6-61.2-176.8-140-6.9113.8F1267 G1268 V1273 N1308 D1309 P1310 F1312 G1314 D1316F1267-R1271 PolarHBondContact O-N 3.02Å; G1268-R1271 PolarHBondContact O-N 3.4Å; G1268-R1271 PolarHBondContact O-NH1 2.89Å; R1271-V1273 PolarHBondContact O-N 3.12Å; R1271-V1273 VanDerWaalsContact O-N 3.17Å; R1271-N1308 PolarHBondContact NH1-OD1 3.25Å; R1271-D1309 PolarHBondContact NH1-O 3.46Å; R1271-P1310 WeakPolarHBondContact CB-O 3.32Å; R1271-P1310 WeakPolarHBondContact CD-O 3.46Å; R1271-F1312 PolarHBondContact NE-O 3.04Å; R1271-G1314 PolarHBondContact NE-O 3.16Å; R1271-G1314 PolarHBondContact NH2-O 2.97Å; R1271-G1314 VanDerWaalsContact NH2-O 3.09Å; R1271-D1316 PolarHBondContact NH2-O 3.02Å
1272D83.7Confident82.5Confident59 Ų5937.1 Ų37.132%0.31618%0.181SC..  trans-86.378.4172.5-175.50.8000110.1K660 F1267 R1270 V1274 G1275 Y1276K660-D1272 VanDerWaalsContact NZ-CG 3.32Å; K660-D1272 IonicContact NZ-OD1 3.86Å; K660-D1272 PolarHBondContact NZ-OD1 3.32Å; K660-D1272 IonicContact NZ-OD2 3.65Å; K660-D1272 PolarHBondContact NZ-OD2 3.04Å; F1267-D1272 PolarHBondContact O-N 3.11Å; F1267-D1272 VanDerWaalsContact O-N 3.1Å; R1270-D1272 PolarHBondContact O-N 3.5Å; D1272-V1274 PolarHBondContact O-N 3.31Å; D1272-V1274 VanDerWaalsContact O-N 3.09Å; D1272-V1274 PolarHBondContact OD1-N 3.37Å; D1272-G1275 VanDerWaalsContact CG-N 3.29Å; D1272-G1275 PolarHBondContact O-N 3.18Å; D1272-G1275 PolarHBondContact OD1-N 2.83Å; D1272-Y1276 WeakPolarHBondContact O-CB 3.36Å; D1272-Y1276 PolarHBondContact O-N 3.45Å
1273V83.9Confident82.8Confident13 Ų1336.1 Ų36.18%0.07918%0.175CC..Hα-helixtrans-45.7-40.5178.4-169.30000112.5I1014 E1017 A1018 R1271 Y1276 A1277 P1310 T1311I1014-V1273 HydrophobicContact CB-CG1 4.47Å; I1014-V1273 HydrophobicContact CG1-CG1 4.08Å; E1017-V1273 HydrophobicContact CB-CG1 4.21Å; A1018-V1273 HydrophobicContact CB-CG1 4.39Å; R1271-V1273 PolarHBondContact O-N 3.12Å; R1271-V1273 VanDerWaalsContact O-N 3.17Å; V1273-Y1276 WeakPolarHBondContact O-CB 3.48Å; V1273-A1277 PolarHBondContact O-N 2.93Å; V1273-P1310 HydrophobicContact CB-CB 4.31Å; V1273-P1310 HydrophobicContact CB-CG 4.16Å; V1273-P1310 HydrophobicContact CG1-CG 4.13Å; V1273-P1310 HydrophobicContact CG2-CB 3.79Å; V1273-P1310 HydrophobicContact CG2-CG 3.94Å; V1273-T1311 HydrophobicContact CG1-CG2 4.48Å; V1273-T1311 HydrophobicContact CG2-CG2 3.96Å
1274V82.4Confident83.1Confident53 Ų5335.8 Ų35.832%0.32117%0.174SC..Hα-helixtrans-82.3-33.2-176.1-172.50000112K660 A1018 D1272 Y1276 H1278K660-V1274 HydrophobicContact CD-CB 4.36Å; K660-V1274 HydrophobicContact CD-CG1 3.77Å; A1018-V1274 HydrophobicContact CB-CG2 4.26Å; D1272-V1274 PolarHBondContact O-N 3.31Å; D1272-V1274 VanDerWaalsContact O-N 3.09Å; D1272-V1274 PolarHBondContact OD1-N 3.37Å; V1274-Y1276 VanDerWaalsContact C-N 3.32Å; V1274-H1278 VanDerWaalsContact O-CG 3.29Å; V1274-H1278 PolarHBondContact O-N 3.41Å; V1274-H1278 VanDerWaalsContact O-N 3.12Å
1275G82.1Confident83.8Confident6 Ų640.3 Ų40.36%0.06220%0.197CC..Hα-helixtrans-63.3-42.2168.500000111.3F1267 D1272 H1278 A1279F1267-G1275 VanDerWaalsContact CD1-C 3.43Å; D1272-G1275 VanDerWaalsContact CG-N 3.29Å; D1272-G1275 PolarHBondContact O-N 3.18Å; D1272-G1275 PolarHBondContact OD1-N 2.83Å; G1275-H1278 PolarHBondContact O-N 2.97Å; G1275-A1279 PolarHBondContact O-N 3.25Å; G1275-A1279 VanDerWaalsContact O-N 3.13Å
1276Y86.9Confident84.6Confident5 Ų540.3 Ų40.32%0.0219%0.19CC..Hα-helixtrans-58.2-52.8173.8-134.5145.2000111.1I992 T1010 I1014 F1263 F1267 D1272 V1273 V1274 H1278 A1279 I1280 P1310I992-Y1276 HydrophobicContact CD1-CD2 4.03Å; I992-Y1276 HydrophobicContact CD1-CE2 3.7Å; I992-Y1276 HydrophobicContact CG2-CE2 3.69Å; I992-Y1276 WeakPolarHBondContact CG2-OH 3.09Å; T1010-Y1276 HydrophobicContact CG2-CE1 4.23Å; I1014-Y1276 HydrophobicContact CD1-CD1 3.83Å; I1014-Y1276 HydrophobicContact CD1-CD2 3.97Å; I1014-Y1276 HydrophobicContact CD1-CE1 4.4Å; I1014-Y1276 HydrophobicContact CD1-CG 3.6Å; F1263-Y1276 HydrophobicContact CB-CE2 3.59Å; F1263-Y1276 AromaticContact CD1-CD2 3.38Å; F1263-Y1276 HydrophobicContact CD1-CD2 3.38Å; F1263-Y1276 AromaticContact CD1-CE2 3.22Å; F1263-Y1276 HydrophobicContact CD1-CE2 3.22Å; F1263-Y1276 HydrophobicContact CD2-CE2 4.46Å; F1263-Y1276 AromaticContact CE1-CD2 3.8Å; F1263-Y1276 HydrophobicContact CE1-CD2 3.8Å; F1263-Y1276 AromaticContact CE1-CE2 3.97Å; F1263-Y1276 HydrophobicContact CE1-CE2 3.97Å; F1263-Y1276 HydrophobicContact CG-CD2 4.19Å; F1263-Y1276 AromaticContact CG-CE2 3.54Å; F1263-Y1276 HydrophobicContact CG-CE2 3.54Å; F1263-Y1276 PolarHBondContact O-OH 3.11Å; F1267-Y1276 HydrophobicContact CB-CD1 3.81Å; F1267-Y1276 HydrophobicContact CB-CD2 4.14Å; F1267-Y1276 HydrophobicContact CB-CE1 4.37Å; F1267-Y1276 HydrophobicContact CB-CG 3.68Å; D1272-Y1276 WeakPolarHBondContact O-CB 3.36Å; D1272-Y1276 PolarHBondContact O-N 3.45Å; V1273-Y1276 WeakPolarHBondContact O-CB 3.48Å; V1274-Y1276 VanDerWaalsContact C-N 3.32Å; Y1276-H1278 PolarHBondContact O-N 3.31Å; Y1276-A1279 PolarHBondContact O-N 3.34Å; Y1276-I1280 HydrophobicContact CD2-CD1 4.22Å; Y1276-I1280 HydrophobicContact CD2-CG1 4.46Å; Y1276-I1280 WeakPolarHBondContact O-CD1 3.19Å; Y1276-I1280 VanDerWaalsContact O-CG1 3.29Å; Y1276-I1280 WeakPolarHBondContact O-CG1 3.11Å; Y1276-I1280 PolarHBondContact O-N 2.98Å; Y1276-I1280 VanDerWaalsContact O-N 3.17Å; Y1276-P1310 HydrophobicContact CD1-CB 3.99Å; Y1276-P1310 HydrophobicContact CD1-CG 3.79Å; Y1276-P1310 HydrophobicContact CE1-CG 4.46Å
1277A86Confident85.3Confident3 Ų338 Ų383%0.02518%0.178CC..Hα-helixtrans-52.2-51.9177.100000112.5I1014 A1018 L1020 V1273 A1279 I1280 E1281I1014-A1277 HydrophobicContact CG2-CB 3.7Å; A1018-A1277 HydrophobicContact CB-CB 3.58Å; L1020-A1277 HydrophobicContact CD2-CB 4.04Å; V1273-A1277 PolarHBondContact O-N 2.93Å; A1277-A1279 PolarHBondContact O-N 3.3Å; A1277-I1280 PolarHBondContact O-N 2.97Å; A1277-I1280 VanDerWaalsContact O-N 3.15Å; A1277-E1281 PolarHBondContact O-N 2.76Å
1278H86.3Confident85.9Confident76 Ų7638.7 Ų38.735%0.35219%0.185SC..Hα-helixtrans-60.8-40.6-178.8-70.5179.6000113.1V1274 G1275 Y1276 I1280 E1281 E1282V1274-H1278 VanDerWaalsContact O-CG 3.29Å; V1274-H1278 PolarHBondContact O-N 3.41Å; V1274-H1278 VanDerWaalsContact O-N 3.12Å; G1275-H1278 PolarHBondContact O-N 2.97Å; Y1276-H1278 PolarHBondContact O-N 3.31Å; H1278-I1280 VanDerWaalsContact C-N 3.3Å; H1278-I1280 PolarHBondContact O-N 3.01Å; H1278-E1281 CarbonylContact O-C 3.59Å; H1278-E1281 PolarHBondContact O-N 2.78Å; H1278-E1282 WeakPolarHBondContact O-CB 3.36Å; H1278-E1282 PolarHBondContact O-N 3.4Å
1279A84.1Confident86.5Confident2 Ų242.9 Ų42.92%0.01721%0.205CC..Hα-helixtrans-71.6-23.9179.400000112.7F1263 F1267 G1275 Y1276 A1277 F1283F1263-A1279 HydrophobicContact CD1-CB 4.06Å; F1263-A1279 HydrophobicContact CE1-CB 3.35Å; F1263-A1279 VanDerWaalsContact CZ-C 3.47Å; F1263-A1279 HydrophobicContact CZ-CB 4.07Å; F1263-A1279 WeakPolarHBondContact CZ-O 3.38Å; F1267-A1279 HydrophobicContact CD2-CB 4.15Å; F1267-A1279 HydrophobicContact CE2-CB 3.62Å; F1267-A1279 HydrophobicContact CZ-CB 4.2Å; G1275-A1279 PolarHBondContact O-N 3.25Å; G1275-A1279 VanDerWaalsContact O-N 3.13Å; Y1276-A1279 PolarHBondContact O-N 3.34Å; A1277-A1279 PolarHBondContact O-N 3.3Å; A1279-F1283 PolarHBondContact O-N 2.68Å; A1279-F1283 VanDerWaalsContact O-N 3.12Å
1280I89.2Confident87.2Confident4 Ų440 Ų402%0.02119%0.192CC..Hα-helixtrans-72.9-38.3169.3-53.4156.4000110.4I992 I1014 L1020 I1022 L1025 F1263 Y1276 A1277 H1278 F1283 D1284I992-I1280 HydrophobicContact CD1-CD1 3.47Å; I992-I1280 VanDerWaalsContact CD1-CD1 3.47Å; I992-I1280 HydrophobicContact CD1-CG1 4.17Å; I1014-I1280 HydrophobicContact CD1-CD1 4.13Å; I1014-I1280 HydrophobicContact CG2-CD1 4.17Å; L1020-I1280 HydrophobicContact CD2-CB 4.23Å; L1020-I1280 HydrophobicContact CD2-CD1 4.06Å; L1020-I1280 HydrophobicContact CD2-CG2 4.47Å; I1022-I1280 HydrophobicContact CG2-CG2 4.05Å; L1025-I1280 HydrophobicContact CD1-CG2 4.24Å; F1263-I1280 HydrophobicContact CE1-CG1 3.66Å; F1263-I1280 HydrophobicContact CE2-CG1 4.48Å; F1263-I1280 HydrophobicContact CZ-CB 4.23Å; F1263-I1280 HydrophobicContact CZ-CG1 3.57Å; Y1276-I1280 HydrophobicContact CD2-CD1 4.22Å; Y1276-I1280 HydrophobicContact CD2-CG1 4.46Å; Y1276-I1280 WeakPolarHBondContact O-CD1 3.19Å; Y1276-I1280 VanDerWaalsContact O-CG1 3.29Å; Y1276-I1280 WeakPolarHBondContact O-CG1 3.11Å; Y1276-I1280 PolarHBondContact O-N 2.98Å; Y1276-I1280 VanDerWaalsContact O-N 3.17Å; A1277-I1280 PolarHBondContact O-N 2.97Å; A1277-I1280 VanDerWaalsContact O-N 3.15Å; H1278-I1280 VanDerWaalsContact C-N 3.3Å; H1278-I1280 PolarHBondContact O-N 3.01Å; I1280-F1283 WeakPolarHBondContact O-CB 3.24Å; I1280-D1284 PolarHBondContact O-N 2.89Å
1281E90.3Very high87.9Confident55 Ų5533.5 Ų33.526%0.25717%0.169SC..Hα-helixtrans-68.5-36.8172.8-64.6-176.3151.700112.4N1021 I1022 A1277 H1278 D1284 L1285N1021-E1281 WeakPolarHBondContact CB-OE1 3.2Å; N1021-E1281 PolarHBondContact N-OE1 3.42Å; I1022-E1281 HydrophobicContact CG2-CG 4.15Å; A1277-E1281 PolarHBondContact O-N 2.76Å; H1278-E1281 CarbonylContact O-C 3.59Å; H1278-E1281 PolarHBondContact O-N 2.78Å; E1281-D1284 PolarHBondContact O-N 2.63Å; E1281-L1285 WeakPolarHBondContact O-CG 3.22Å; E1281-L1285 PolarHBondContact O-N 3.41Å
1282E87.8Confident88.3Confident57 Ų5737.5 Ų37.527%0.26619%0.194SC..Hα-helixtrans-63.7-41.6175.4-124.8-179.511000111.3F986 D987 F988 M1238 H1278F986-E1282 WeakPolarHBondContact CB-OE1 3.21Å; F986-E1282 WeakPolarHBondContact CD1-OE1 3.1Å; D987-E1282 PolarHBondContact N-OE1 3.24Å; D987-E1282 WeakPolarHBondContact O-CB 3.43Å; F988-E1282 WeakPolarHBondContact CE2-O 3.49Å; F988-E1282 WeakPolarHBondContact CZ-O 3.4Å; M1238-E1282 HydrophobicContact CE-CB 4.09Å; M1238-E1282 HydrophobicContact CE-CG 3.59Å; M1238-E1282 WeakPolarHBondContact CE-OE1 3.45Å; H1278-E1282 WeakPolarHBondContact O-CB 3.36Å; H1278-E1282 PolarHBondContact O-N 3.4Å
1283F88.6Confident88.6Confident3 Ų336.1 Ų36.11%0.01319%0.191CC..Hα-helixtrans-57.5-56.3168.9164.5-150.9000112F988 P989 L991 L1025 A1279 I1280 L1285 R1286 I1287 I1290 I1302F988-F1283 HydrophobicContact CD1-CB 4.39Å; F988-F1283 AromaticContact CD1-CD2 3.67Å; F988-F1283 HydrophobicContact CD1-CD2 3.67Å; F988-F1283 HydrophobicContact CD1-CE2 4.43Å; F988-F1283 HydrophobicContact CD1-CG 4.43Å; F988-F1283 HydrophobicContact CE1-CB 4.49Å; F988-F1283 AromaticContact CE1-CD2 3.51Å; F988-F1283 HydrophobicContact CE1-CD2 3.51Å; F988-F1283 HydrophobicContact CE1-CE2 4.26Å; F988-F1283 HydrophobicContact CE1-CG 4.45Å; F988-F1283 VanDerWaalsContact CE1-O 3.28Å; F988-F1283 WeakPolarHBondContact CE1-O 3.37Å; F988-F1283 HydrophobicContact CZ-CD2 4.26Å; F988-F1283 WeakPolarHBondContact CZ-O 3.3Å; P989-F1283 HydrophobicContact CB-CB 3.86Å; P989-F1283 HydrophobicContact CB-CD1 3.27Å; P989-F1283 HydrophobicContact CB-CD2 4.02Å; P989-F1283 HydrophobicContact CB-CE1 3.64Å; P989-F1283 HydrophobicContact CB-CE2 4.36Å; P989-F1283 HydrophobicContact CB-CG 3.46Å; P989-F1283 VanDerWaalsContact CB-CG 3.46Å; P989-F1283 HydrophobicContact CB-CZ 4.16Å; P989-F1283 HydrophobicContact CG-CB 4.06Å; P989-F1283 HydrophobicContact CG-CD1 3.51Å; P989-F1283 HydrophobicContact CG-CD2 3.36Å; P989-F1283 HydrophobicContact CG-CE1 3.59Å; P989-F1283 HydrophobicContact CG-CE2 3.49Å; P989-F1283 VanDerWaalsContact CG-CE2 3.49Å; P989-F1283 HydrophobicContact CG-CG 3.37Å; P989-F1283 HydrophobicContact CG-CZ 3.57Å; L991-F1283 HydrophobicContact CD2-CE1 4.12Å; L991-F1283 HydrophobicContact CG-CE1 4.44Å; L1025-F1283 HydrophobicContact CD1-CD1 3.94Å; L1025-F1283 HydrophobicContact CD1-CE1 3.92Å; L1025-F1283 HydrophobicContact CD2-CE1 3.78Å; L1025-F1283 HydrophobicContact CD2-CZ 3.99Å; L1025-F1283 HydrophobicContact CG-CE1 4.36Å; A1279-F1283 PolarHBondContact O-N 2.68Å; A1279-F1283 VanDerWaalsContact O-N 3.12Å; I1280-F1283 WeakPolarHBondContact O-CB 3.24Å; F1283-L1285 PolarHBondContact O-N 3.15Å; F1283-R1286 PolarHBondContact O-N 2.82Å; F1283-I1287 HydrophobicContact CD2-CD1 4.21Å; F1283-I1287 HydrophobicContact CD2-CG1 4.07Å; F1283-I1287 HydrophobicContact CE1-CD1 4.45Å; F1283-I1287 HydrophobicContact CE2-CD1 3.22Å; F1283-I1287 HydrophobicContact CE2-CG1 3.56Å; F1283-I1287 HydrophobicContact CZ-CD1 3.4Å; F1283-I1287 VanDerWaalsContact CZ-CD1 3.4Å; F1283-I1287 HydrophobicContact CZ-CG1 4.01Å; F1283-I1287 PolarHBondContact O-N 2.83Å; F1283-I1290 HydrophobicContact CE2-CD1 4.34Å; F1283-I1302 HydrophobicContact CE1-CG2 4.35Å; F1283-I1302 HydrophobicContact CZ-CD1 4.27Å; F1283-I1302 HydrophobicContact CZ-CG2 4.02Å
1284D91.7Very high88.9Confident1 Ų135.9 Ų35.91%0.00519%0.189CC..Hα-helixtrans-52.2-38.8-174-176.593.6000111.9I1022 P1023 H1024 L1025 I1280 E1281 R1286 I1287I1022-D1284 VanDerWaalsContact C-CG 3.41Å; I1022-D1284 VanDerWaalsContact CA-CG 3.41Å; I1022-D1284 VanDerWaalsContact CA-OD1 3.28Å; I1022-D1284 WeakPolarHBondContact CA-OD1 3.17Å; I1022-D1284 HydrophobicContact CB-CB 4.09Å; I1022-D1284 WeakPolarHBondContact CB-OD1 3.39Å; I1022-D1284 HydrophobicContact CG2-CB 3.96Å; I1022-D1284 VanDerWaalsContact O-OD1 3.13Å; P1023-D1284 WeakPolarHBondContact CD-OD2 3.49Å; H1024-D1284 WeakPolarHBondContact CA-OD1 3.44Å; H1024-D1284 IonicContact CE1-OD2 2.97Å; H1024-D1284 IonicContact CG-OD2 3.39Å; H1024-D1284 PolarHBondContact N-OD1 3.01Å; H1024-D1284 PolarHBondContact N-OD2 3.4Å; H1024-D1284 PolarHBondContact ND1-O 3.48Å; H1024-D1284 IonicContact ND1-OD2 2.85Å; H1024-D1284 PolarHBondContact ND1-OD2 2.84Å; L1025-D1284 HydrophobicContact CD1-CB 4.39Å; L1025-D1284 WeakPolarHBondContact CG-OD1 3.07Å; L1025-D1284 PolarHBondContact N-OD1 2.74Å; I1280-D1284 PolarHBondContact O-N 2.89Å; E1281-D1284 PolarHBondContact O-N 2.63Å; D1284-R1286 VanDerWaalsContact C-N 3.26Å; D1284-R1286 PolarHBondContact O-N 3.31Å; D1284-R1286 VanDerWaalsContact O-N 3.15Å; D1284-I1287 WeakPolarHBondContact O-CB 3.48Å; D1284-I1287 PolarHBondContact O-N 2.94Å; D1284-I1287 VanDerWaalsContact O-N 3.17Å
1285L91.5Very high89.2Confident115 Ų11538.5 Ų38.560%0.60220%0.198SC*.THydrogen-bonded Turntrans-62.1-19-178.9-72.8171000116.3E1281 F1283E1281-L1285 WeakPolarHBondContact O-CG 3.22Å; E1281-L1285 PolarHBondContact O-N 3.41Å; F1283-L1285 PolarHBondContact O-N 3.15Å
1286R91.8Very high89.3Confident36 Ų3643.9 Ų43.914%0.13623%0.225CC..THydrogen-bonded Turntrans-124.318171.4-30.7160.850.4-151.9-2113.8F988 M1238 D1242 L1245 F1283 D1284 P1288 E1289 I1290F988-R1286 HydrophobicContact CE1-CB 3.99Å; F988-R1286 HydrophobicContact CE2-CB 3.96Å; F988-R1286 VanDerWaalsContact CE2-CD 3.49Å; F988-R1286 HydrophobicContact CE2-CG 3.75Å; F988-R1286 HydrophobicContact CZ-CB 3.22Å; F988-R1286 HydrophobicContact CZ-CG 3.55Å; M1238-R1286 PolarHBondContact SD-NH1 2.68Å; M1238-R1286 VanDerWaalsContact SD-NH1 3.36Å; D1242-R1286 IonicContact OD1-CZ 3.73Å; D1242-R1286 VanDerWaalsContact OD1-CZ 3.25Å; D1242-R1286 IonicContact OD1-NH1 3.9Å; D1242-R1286 PolarHBondContact OD1-NH1 2.82Å; D1242-R1286 IonicContact OD1-NH2 2.64Å; D1242-R1286 PolarHBondContact OD1-NH2 3.5Å; D1242-R1286 IonicContact OD2-NH1 2.77Å; L1245-R1286 VanDerWaalsContact CD1-NH2 3.35Å; F1283-R1286 PolarHBondContact O-N 2.82Å; D1284-R1286 VanDerWaalsContact C-N 3.26Å; D1284-R1286 PolarHBondContact O-N 3.31Å; D1284-R1286 VanDerWaalsContact O-N 3.15Å; R1286-P1288 VanDerWaalsContact C-CD 3.41Å; R1286-E1289 HydrophobicContact CB-CB 4.11Å; R1286-E1289 HydrophobicContact CB-CG 4.01Å; R1286-E1289 WeakPolarHBondContact CG-OE1 3.19Å; R1286-E1289 IonicContact CZ-OE1 2.7Å; R1286-E1289 IonicContact CZ-OE2 2.69Å; R1286-E1289 VanDerWaalsContact CZ-OE2 3.3Å; R1286-E1289 IonicContact NE-OE1 2.68Å; R1286-E1289 PolarHBondContact NE-OE1 3.46Å; R1286-E1289 IonicContact NE-OE2 3.82Å; R1286-E1289 PolarHBondContact NE-OE2 2.87Å; R1286-E1289 IonicContact NH2-OE1 3.14Å; R1286-E1289 IonicContact NH2-OE2 3.85Å; R1286-E1289 PolarHBondContact NH2-OE2 3.16Å; R1286-E1289 PolarHBondContact O-N 3Å; R1286-I1290 PolarHBondContact O-N 3.2Å
1287I91.2Very high89.2Confident1 Ų148.8 Ų48.81%0.00525%0.252CS..Hα-helixtrans-45.4-46.1153.9-80-75.9000110.3H1024 L1025 L1028 F1283 D1284 E1289 I1290 L1291 I1302H1024-I1287 HydrophobicContact CB-CB 3.7Å; H1024-I1287 HydrophobicContact CB-CG1 4.3Å; H1024-I1287 HydrophobicContact CB-CG2 3.55Å; L1025-I1287 HydrophobicContact CD2-CD1 3.98Å; L1025-I1287 HydrophobicContact CD2-CG1 4.19Å; L1025-I1287 HydrophobicContact CG-CG1 4.42Å; L1028-I1287 HydrophobicContact CD1-CD1 3.87Å; L1028-I1287 HydrophobicContact CD1-CG2 3.97Å; F1283-I1287 HydrophobicContact CD2-CD1 4.21Å; F1283-I1287 HydrophobicContact CD2-CG1 4.07Å; F1283-I1287 HydrophobicContact CE1-CD1 4.45Å; F1283-I1287 HydrophobicContact CE2-CD1 3.22Å; F1283-I1287 HydrophobicContact CE2-CG1 3.56Å; F1283-I1287 HydrophobicContact CZ-CD1 3.4Å; F1283-I1287 VanDerWaalsContact CZ-CD1 3.4Å; F1283-I1287 HydrophobicContact CZ-CG1 4.01Å; F1283-I1287 PolarHBondContact O-N 2.83Å; D1284-I1287 WeakPolarHBondContact O-CB 3.48Å; D1284-I1287 PolarHBondContact O-N 2.94Å; D1284-I1287 VanDerWaalsContact O-N 3.17Å; I1287-E1289 VanDerWaalsContact C-N 3.29Å; I1287-E1289 PolarHBondContact O-N 3.16Å; I1287-I1290 PolarHBondContact O-N 2.73Å; I1287-I1290 VanDerWaalsContact O-N 3.1Å; I1287-L1291 HydrophobicContact CG2-CD1 3.5Å; I1287-L1291 HydrophobicContact CG2-CG 3.93Å; I1287-L1291 WeakPolarHBondContact O-CG 3.44Å; I1287-L1291 PolarHBondContact O-N 3.39Å; I1287-I1302 HydrophobicContact CD1-CD1 3.84Å
1288P92.2Very high89.5Confident44 Ų4451.3 Ų51.329%0.28627%0.265SS..Hα-helixtrans-55.3-36.7176.6-30.137.4000115H1024 R1286 L1291 D1292H1024-P1288 VanDerWaalsContact CD2-CG 3.45Å; H1024-P1288 WeakPolarHBondContact CD2-CG 3.41Å; H1024-P1288 WeakPolarHBondContact NE2-CG 3.1Å; R1286-P1288 VanDerWaalsContact C-CD 3.41Å; P1288-L1291 PolarHBondContact O-N 2.61Å; P1288-D1292 VanDerWaalsContact O-CB 3.29Å; P1288-D1292 WeakPolarHBondContact O-CB 3.36Å; P1288-D1292 PolarHBondContact O-N 2.94Å
1289E92.6Very high89.8Confident88 Ų8850 Ų5041%0.41126%0.26SS..Hα-helixtrans-68.5-36.6178.4-68.9179.3-138.400112L1245 R1286 I1287 A1293L1245-E1289 HydrophobicContact CD1-CB 4.22Å; R1286-E1289 HydrophobicContact CB-CB 4.11Å; R1286-E1289 HydrophobicContact CB-CG 4.01Å; R1286-E1289 WeakPolarHBondContact CG-OE1 3.19Å; R1286-E1289 IonicContact CZ-OE1 2.7Å; R1286-E1289 IonicContact CZ-OE2 2.69Å; R1286-E1289 VanDerWaalsContact CZ-OE2 3.3Å; R1286-E1289 IonicContact NE-OE1 2.68Å; R1286-E1289 PolarHBondContact NE-OE1 3.46Å; R1286-E1289 IonicContact NE-OE2 3.82Å; R1286-E1289 PolarHBondContact NE-OE2 2.87Å; R1286-E1289 IonicContact NH2-OE1 3.14Å; R1286-E1289 IonicContact NH2-OE2 3.85Å; R1286-E1289 PolarHBondContact NH2-OE2 3.16Å; R1286-E1289 PolarHBondContact O-N 3Å; I1287-E1289 VanDerWaalsContact C-N 3.29Å; I1287-E1289 PolarHBondContact O-N 3.16Å; E1289-A1293 WeakPolarHBondContact O-CB 3.48Å; E1289-A1293 PolarHBondContact O-N 2.93Å
1290I91.4Very high90.2Very high6 Ų651.2 Ų51.23%0.03127%0.266CS..Hα-helixtrans-67.6-48.8175.5-57.2169.1000109.5F988 V1241 L1245 M1248 F1283 R1286 I1287 D1292 A1293 M1294 L1300F988-I1290 HydrophobicContact CE1-CD1 4.18Å; V1241-I1290 HydrophobicContact CG1-CD1 4.42Å; V1241-I1290 HydrophobicContact CG2-CD1 3.98Å; L1245-I1290 HydrophobicContact CD2-CG1 4.28Å; M1248-I1290 HydrophobicContact CE-CG2 4.18Å; M1248-I1290 WeakPolarHBondContact CE-O 3.3Å; M1248-I1290 HydrophobicContact SD-CG2 4.15Å; F1283-I1290 HydrophobicContact CE2-CD1 4.34Å; R1286-I1290 PolarHBondContact O-N 3.2Å; I1287-I1290 PolarHBondContact O-N 2.73Å; I1287-I1290 VanDerWaalsContact O-N 3.1Å; I1290-D1292 PolarHBondContact O-N 2.81Å; I1290-A1293 PolarHBondContact O-N 3.21Å; I1290-M1294 WeakPolarHBondContact O-CG 3.37Å; I1290-M1294 PolarHBondContact O-N 3.07Å; I1290-M1294 VanDerWaalsContact O-N 3.15Å; I1290-L1300 HydrophobicContact CG2-CD1 4.36Å; I1290-L1300 HydrophobicContact CG2-CD2 4Å
1291L90.5Very high90.5Very high27 Ų2753.1 Ų53.114%0.14128%0.276CS..Hα-helixtrans-63.8-38.1179.2-60.7178.3000112.2L1028 I1287 P1288 M1294 L1300 Y1327 K1329L1028-L1291 HydrophobicContact CD2-CD1 4.31Å; L1028-L1291 HydrophobicContact CD2-CD2 4.28Å; I1287-L1291 HydrophobicContact CG2-CD1 3.5Å; I1287-L1291 HydrophobicContact CG2-CG 3.93Å; I1287-L1291 WeakPolarHBondContact O-CG 3.44Å; I1287-L1291 PolarHBondContact O-N 3.39Å; P1288-L1291 PolarHBondContact O-N 2.61Å; L1291-M1294 HydrophobicContact CD2-SD 4.2Å; L1291-L1300 HydrophobicContact CD2-CD2 3.89Å; L1291-Y1327 HydrophobicContact CD2-CD1 3.45Å; L1291-Y1327 VanDerWaalsContact CD2-CD1 3.45Å; L1291-Y1327 HydrophobicContact CD2-CE1 3.68Å; L1291-Y1327 HydrophobicContact CD2-CG 4.03Å; L1291-K1329 WeakPolarHBondContact O-CE 3.4Å; L1291-K1329 PolarHBondContact O-NZ 2.84Å
1292D89.6Confident90.6Very high133 Ų13351.5 Ų51.571%0.71127%0.269SS*.Hα-helixtrans-64.3-43.8173-88.4-14.6000111.3P1288 I1290 M1294 K1329P1288-D1292 VanDerWaalsContact O-CB 3.29Å; P1288-D1292 WeakPolarHBondContact O-CB 3.36Å; P1288-D1292 PolarHBondContact O-N 2.94Å; I1290-D1292 PolarHBondContact O-N 2.81Å; D1292-M1294 VanDerWaalsContact C-N 3.34Å; D1292-M1294 PolarHBondContact O-N 3.27Å; D1292-K1329 PolarHBondContact O-NZ 2.57Å
1293A90.3Very high90.9Very high31 Ų3150 Ų5026%0.25626%0.264SS..Hα-helixtrans-68.5-24.3-176.700000115L1245 M1248 E1289 I1290L1245-A1293 HydrophobicContact CD2-CB 3.71Å; M1248-A1293 HydrophobicContact CE-CB 3.93Å; E1289-A1293 WeakPolarHBondContact O-CB 3.48Å; E1289-A1293 PolarHBondContact O-N 2.93Å; I1290-A1293 PolarHBondContact O-N 3.21Å
1294M89.8Confident91.1Very high7 Ų750 Ų503%0.03426%0.264CS..SBendtrans-57.2140.8176.8-72.717674.700112.5M1248 I1290 L1291 D1292 D1298 L1300 Y1327 K1329M1248-M1294 HydrophobicContact CE-CB 4.27Å; M1248-M1294 HydrophobicContact CE-CG 3.53Å; I1290-M1294 WeakPolarHBondContact O-CG 3.37Å; I1290-M1294 PolarHBondContact O-N 3.07Å; I1290-M1294 VanDerWaalsContact O-N 3.15Å; L1291-M1294 HydrophobicContact CD2-SD 4.2Å; D1292-M1294 VanDerWaalsContact C-N 3.34Å; D1292-M1294 PolarHBondContact O-N 3.27Å; M1294-D1298 VanDerWaalsContact CA-OD2 3.3Å; M1294-D1298 WeakPolarHBondContact CA-OD2 3.48Å; M1294-D1298 HydrophobicContact CB-CB 4.07Å; M1294-D1298 HydrophobicContact CE-CB 3.63Å; M1294-D1298 WeakPolarHBondContact CE-O 3.27Å; M1294-D1298 HydrophobicContact CG-CB 4.19Å; M1294-L1300 HydrophobicContact CE-CB 3.67Å; M1294-L1300 HydrophobicContact SD-CB 3.74Å; M1294-L1300 HydrophobicContact SD-CD2 4.1Å; M1294-Y1327 HydrophobicContact CE-CD1 4.01Å; M1294-Y1327 HydrophobicContact CE-CE1 4.46Å; M1294-Y1327 HydrophobicContact SD-CD1 3.7Å; M1294-Y1327 HydrophobicContact SD-CE1 4.02Å; M1294-K1329 HydrophobicContact CB-CD 4.48Å; M1294-K1329 PolarHBondContact O-NZ 3.42Å
1295Q88.5Confident90.9Very high108 Ų10851.1 Ų51.151%0.50527%0.27SS..  trans-71.9167.2164.4-56.2-49.1-51.700111.3D1297 D1298Q1295-D1297 PolarHBondContact O-N 3Å; Q1295-D1297 VanDerWaalsContact O-N 3.09Å; Q1295-D1298 PolarHBondContact N-OD2 3.32Å; Q1295-D1298 PolarHBondContact O-N 3.4Å
1296D84.5Confident90.8Very high119 Ų11946.1 Ų46.164%0.63624%0.244SC*.THydrogen-bonded Turntrans-60.8-18.1177.5-78.5-14.6000112.8K1330D1296-K1330 WeakPolarHBondContact O-CD 3.22Å; D1296-K1330 WeakPolarHBondContact O-CG 3.36Å
1297D85.8Confident90.6Very high108 Ų10844.4 Ų44.458%0.57824%0.237SC*.THydrogen-bonded Turntrans-117.44.6-176.364.6-34.6000116.5Q1295 K1330Q1295-D1297 PolarHBondContact O-N 3Å; Q1295-D1297 VanDerWaalsContact O-N 3.09Å; D1297-K1330 HydrophobicContact CB-CD 4.06Å
1298D92.1Very high90.5Very high56 Ų5644.4 Ų44.430%0.29924%0.237SC..  trans-68.6150171-74.4-22.8000112.2M1294 Q1295 S1328M1294-D1298 VanDerWaalsContact CA-OD2 3.3Å; M1294-D1298 WeakPolarHBondContact CA-OD2 3.48Å; M1294-D1298 HydrophobicContact CB-CB 4.07Å; M1294-D1298 HydrophobicContact CE-CB 3.63Å; M1294-D1298 WeakPolarHBondContact CE-O 3.27Å; M1294-D1298 HydrophobicContact CG-CB 4.19Å; Q1295-D1298 PolarHBondContact N-OD2 3.32Å; Q1295-D1298 PolarHBondContact O-N 3.4Å; D1298-S1328 WeakPolarHBondContact O-CB 3.44Å; D1298-S1328 PolarHBondContact O-OG 2.85Å
1299L92.1Very high90.3Very high48 Ų4842.3 Ų42.325%0.25122%0.224SC..  trans-124.2104.8174.418060.6000109.3M1301 V1326 M1331 L1365 L1368L1299-M1301 HydrophobicContact CD2-CE 3.62Å; L1299-M1301 HydrophobicContact CG-CE 4.05Å; L1299-V1326 HydrophobicContact CD1-CG1 3.69Å; L1299-M1331 HydrophobicContact CD1-CE 3.41Å; L1299-M1331 VanDerWaalsContact CD1-CE 3.41Å; L1299-L1365 HydrophobicContact CD2-CD1 4.23Å; L1299-L1368 HydrophobicContact CD1-CD1 4.31Å
1300L93.8Very high89.9Confident28 Ų2838.4 Ų38.415%0.14721%0.206CC..EExtended strand (participates in β ladder)trans-84.4130.2176.2178.462.2000109.6I1290 L1291 M1294 I1302 V1326 Y1327I1290-L1300 HydrophobicContact CG2-CD1 4.36Å; I1290-L1300 HydrophobicContact CG2-CD2 4Å; L1291-L1300 HydrophobicContact CD2-CD2 3.89Å; M1294-L1300 HydrophobicContact CE-CB 3.67Å; M1294-L1300 HydrophobicContact SD-CB 3.74Å; M1294-L1300 HydrophobicContact SD-CD2 4.1Å; L1300-I1302 HydrophobicContact CD1-CG1 4.19Å; L1300-I1302 HydrophobicContact CD2-CD1 4.06Å; L1300-I1302 HydrophobicContact CD2-CG1 4.2Å; L1300-I1302 HydrophobicContact CG-CD1 4.36Å; L1300-I1302 HydrophobicContact CG-CG1 3.94Å; L1300-V1326 CarbonylContact O-C 3.46Å; L1300-V1326 WeakPolarHBondContact O-CA 3.47Å; L1300-Y1327 PolarHBondContact N-O 3.45Å; L1300-Y1327 PolarHBondContact O-N 3.5Å
1301M93.7Very high89.5Confident45 Ų4540.7 Ų40.722%0.22222%0.22CC..EExtended strand (participates in β ladder)trans-123131.3167-63.2-174.6-163.300108.7L1299 L1324 L1325 V1326 I1345 T1348 F1364L1299-M1301 HydrophobicContact CD2-CE 3.62Å; L1299-M1301 HydrophobicContact CG-CE 4.05Å; M1301-L1324 HydrophobicContact CB-CD1 4.25Å; M1301-L1325 CarbonylContact C-O 3.59Å; M1301-L1325 WeakPolarHBondContact CA-O 3.45Å; M1301-V1326 HydrophobicContact CG-CG1 4.11Å; M1301-V1326 HydrophobicContact CG-CG2 4.45Å; M1301-I1345 HydrophobicContact SD-CG2 4Å; M1301-T1348 HydrophobicContact CE-CG2 3.57Å; M1301-F1364 HydrophobicContact CE-CE2 4.28Å; M1301-F1364 HydrophobicContact CE-CZ 4.26Å; M1301-F1364 HydrophobicContact SD-CZ 4.16Å
1302I94.1Very high88.9Confident20 Ų2041.4 Ų41.410%0.10322%0.222CC..EExtended strand (participates in β ladder)trans-122.6122.4178.2-38.5173.8000107.3L991 L1028 F1283 I1287 L1300 L1324 L1325L991-I1302 HydrophobicContact CD1-CB 3.98Å; L991-I1302 HydrophobicContact CD1-CG2 3.62Å; L991-I1302 HydrophobicContact CG-CG2 3.71Å; L1028-I1302 HydrophobicContact CD1-CD1 3.95Å; F1283-I1302 HydrophobicContact CE1-CG2 4.35Å; F1283-I1302 HydrophobicContact CZ-CD1 4.27Å; F1283-I1302 HydrophobicContact CZ-CG2 4.02Å; I1287-I1302 HydrophobicContact CD1-CD1 3.84Å; L1300-I1302 HydrophobicContact CD1-CG1 4.19Å; L1300-I1302 HydrophobicContact CD2-CD1 4.06Å; L1300-I1302 HydrophobicContact CD2-CG1 4.2Å; L1300-I1302 HydrophobicContact CG-CD1 4.36Å; L1300-I1302 HydrophobicContact CG-CG1 3.94Å; I1302-L1324 WeakPolarHBondContact O-CA 3.44Å; I1302-L1325 HydrophobicContact CB-CB 4.3Å; I1302-L1325 PolarHBondContact N-O 3.37Å; I1302-L1325 PolarHBondContact O-N 3.41Å
1303T94Very high88Confident27 Ų2741.4 Ų41.417%0.16623%0.227CC..EExtended strand (participates in β ladder)trans-144.1170.2-178-170.10000111.4L991 I1068 P1323 I1345L991-T1303 PolarHBondContact N-O 2.94Å; I1068-T1303 HydrophobicContact CD1-CG2 4.08Å; T1303-P1323 VanDerWaalsContact CA-O 3.3Å; T1303-P1323 WeakPolarHBondContact CA-O 3.31Å; T1303-P1323 PolarHBondContact OG1-O 3.42Å; T1303-I1345 HydrophobicContact CG2-CD1 3.88Å
1304A91.8Very high86.8Confident3 Ų342.2 Ų42.23%0.02524%0.239CC..  trans-97.7169.5156.400000110.2L991 I992 V1322L991-A1304 VanDerWaalsContact O-CA 3.3Å; L991-A1304 WeakPolarHBondContact O-CA 3.13Å; L991-A1304 WeakPolarHBondContact O-CB 3.42Å; I992-A1304 VanDerWaalsContact CA-CB 3.47Å; A1304-V1322 HydrophobicContact CB-CB 3.77Å; A1304-V1322 HydrophobicContact CB-CG1 3.67Å
1305D88.2Confident85.6Confident24 Ų2446.3 Ų46.313%0.12826%0.264CS..SBendtrans-104.6-18.8165.762.9-46.6000113.6T1061 G1064 H1065 I1068 Y1342T1061-D1305 WeakPolarHBondContact CA-OD2 3.45Å; T1061-D1305 WeakPolarHBondContact CG2-OD2 3.32Å; G1064-D1305 WeakPolarHBondContact CA-O 3.43Å; H1065-D1305 IonicContact CE1-OD1 3.06Å; H1065-D1305 IonicContact CE1-OD2 3.14Å; H1065-D1305 PolarHBondContact CE1-OD2 3Å; H1065-D1305 WeakPolarHBondContact ND1-CB 3.44Å; H1065-D1305 IonicContact ND1-OD2 3.06Å; H1065-D1305 PolarHBondContact ND1-OD2 3.11Å; I1068-D1305 HydrophobicContact CD1-CB 3.99Å; D1305-Y1342 WeakPolarHBondContact O-CE2 3.42Å; D1305-Y1342 PolarHBondContact O-OH 2.89Å
1306H88.4Confident84.9Confident10 Ų1045.4 Ų45.45%0.04626%0.263CS..SBendtrans-160.1175.2170.252.280.7000112G993 T1061 D1264 H1317G993-H1306 PolarHBondContact N-O 2.87Å; T1061-H1306 PolarHBondContact OG1-NE2 3.31Å; D1264-H1306 IonicContact OD1-CE1 3.78Å; H1306-H1317 AromaticContact CE1-CD2 3.15Å; H1306-H1317 PolarHBondContact CE1-CD2 2.87Å; H1306-H1317 AromaticContact CE1-CE1 3.61Å; H1306-H1317 AromaticContact CE1-CG 3.55Å; H1306-H1317 AromaticContact CE1-ND1 3.85Å; H1306-H1317 AromaticContact CE1-NE2 3.2Å; H1306-H1317 PolarHBondContact CE1-NE2 2.86Å; H1306-H1317 AromaticContact ND1-CD2 3.54Å; H1306-H1317 AromaticContact ND1-CG 3.61Å; H1306-H1317 AromaticContact NE2-CD2 3.93Å; H1306-H1317 AromaticContact NE2-CE1 3.6Å; H1306-H1317 AromaticContact NE2-ND1 3.94Å; H1306-H1317 AromaticContact NE2-NE2 3.62Å
1307G88.8Confident85Confident0 Ų040.3 Ų40.30%024%0.235CC..BIsolated β-bridgetrans-79.8155.416200000111.6T1318G1307-T1318 CarbonylContact C-O 3.27Å; G1307-T1318 WeakPolarHBondContact CA-O 3.47Å; G1307-T1318 PolarHBondContact N-O 3.18Å; G1307-T1318 VanDerWaalsContact N-O 3.12Å; G1307-T1318 PolarHBondContact O-N 3.16Å
1308N88.4Confident85Confident1 Ų135.2 Ų35.21%0.00521%0.208CC..  trans-152.865.2164.1-164.6-0.4000110.4T1010 D1264 G1268 H1269 R1271 P1310 D1316 H1317 T1318T1010-N1308 PolarHBondContact OG1-N 3.43Å; D1264-N1308 PolarHBondContact OD1-ND2 3.12Å; G1268-N1308 VanDerWaalsContact C-ND2 3.35Å; G1268-N1308 WeakPolarHBondContact CA-ND2 3.39Å; H1269-N1308 PolarHBondContact N-ND2 3.19Å; H1269-N1308 VanDerWaalsContact N-ND2 3.19Å; R1271-N1308 PolarHBondContact NH1-OD1 3.25Å; N1308-P1310 WeakPolarHBondContact O-CD 3.25Å; N1308-D1316 PolarHBondContact OD1-O 2.9Å; N1308-H1317 PolarHBondContact ND2-CD2 3.49Å; N1308-T1318 WeakPolarHBondContact CA-OG1 3.37Å; N1308-T1318 PolarHBondContact N-OG1 3.48Å; N1308-T1318 VanDerWaalsContact N-OG1 3.12Å
1309D87.9Confident84.9Confident0 Ų032.7 Ų32.70%019%0.194CC..  trans-59.5114.1-168.6177.8-12.1000111.6D1009 T1010 H1013 R1271 T1311 F1312 T1318D1009-D1309 PolarHBondContact N-OD2 3.3Å; T1010-D1309 VanDerWaalsContact OG1-CA 3.31Å; T1010-D1309 WeakPolarHBondContact OG1-CA 3.15Å; T1010-D1309 PolarHBondContact OG1-N 3.41Å; H1013-D1309 IonicContact CE1-OD2 3.99Å; H1013-D1309 IonicContact CG-OD2 2.64Å; H1013-D1309 IonicContact ND1-OD1 2.57Å; H1013-D1309 IonicContact ND1-OD2 2.8Å; H1013-D1309 PolarHBondContact ND1-OD2 2.69Å; R1271-D1309 PolarHBondContact NH1-O 3.46Å; D1309-T1311 PolarHBondContact O-N 3.42Å; D1309-T1311 VanDerWaalsContact O-N 3.13Å; D1309-T1311 WeakPolarHBondContact OD1-CB 3.32Å; D1309-T1311 PolarHBondContact OD1-N 2.98Å; D1309-T1311 PolarHBondContact OD1-OG1 3.42Å; D1309-T1311 PolarHBondContact OD2-OG1 3.15Å; D1309-F1312 HydrophobicContact CB-CB 3.96Å; D1309-F1312 PolarHBondContact O-N 3.21Å; D1309-F1312 VanDerWaalsContact O-N 3.17Å; D1309-T1318 HydrophobicContact CB-CG2 4.06Å; D1309-T1318 PolarHBondContact N-OG1 3.14Å
1310P84.4Confident84.9Confident5 Ų530.5 Ų30.53%0.03218%0.183CC..THydrogen-bonded Turntrans-71.6-5-175.631.4-37.4000114I1014 R1271 V1273 Y1276 N1308I1014-P1310 HydrophobicContact CD1-CG 3.83Å; I1014-P1310 HydrophobicContact CG1-CG 3.5Å; I1014-P1310 VanDerWaalsContact CG1-CG 3.5Å; R1271-P1310 WeakPolarHBondContact CB-O 3.32Å; R1271-P1310 WeakPolarHBondContact CD-O 3.46Å; V1273-P1310 HydrophobicContact CB-CB 4.31Å; V1273-P1310 HydrophobicContact CB-CG 4.16Å; V1273-P1310 HydrophobicContact CG1-CG 4.13Å; V1273-P1310 HydrophobicContact CG2-CB 3.79Å; V1273-P1310 HydrophobicContact CG2-CG 3.94Å; Y1276-P1310 HydrophobicContact CD1-CB 3.99Å; Y1276-P1310 HydrophobicContact CD1-CG 3.79Å; Y1276-P1310 HydrophobicContact CE1-CG 4.46Å; N1308-P1310 WeakPolarHBondContact O-CD 3.25Å
1311T83.4Confident84.9Confident55 Ų5530.3 Ų30.334%0.33718%0.18SC..THydrogen-bonded Turntrans-97.3-13.517470.60000113.3H1013 V1273 D1309H1013-T1311 HydrophobicContact CB-CG2 3.73Å; H1013-T1311 WeakPolarHBondContact CB-OG1 3.48Å; H1013-T1311 PolarHBondContact ND1-OG1 3.23Å; V1273-T1311 HydrophobicContact CG1-CG2 4.48Å; V1273-T1311 HydrophobicContact CG2-CG2 3.96Å; D1309-T1311 PolarHBondContact O-N 3.42Å; D1309-T1311 VanDerWaalsContact O-N 3.13Å; D1309-T1311 WeakPolarHBondContact OD1-CB 3.32Å; D1309-T1311 PolarHBondContact OD1-N 2.98Å; D1309-T1311 PolarHBondContact OD1-OG1 3.42Å; D1309-T1311 PolarHBondContact OD2-OG1 3.15Å
1312F78Confident84.9Confident41 Ų4128.1 Ų28.118%0.1817%0.17CC..SBendtrans-79.9150.3-171.8-143.4-95.9000113.6D1005 V1006 R1271 D1309 G1314 T1318D1005-F1312 HydrophobicContact CB-CE1 4.46Å; V1006-F1312 WeakPolarHBondContact O-CE2 3.4Å; V1006-F1312 WeakPolarHBondContact O-CZ 3.12Å; R1271-F1312 PolarHBondContact NE-O 3.04Å; D1309-F1312 HydrophobicContact CB-CB 3.96Å; D1309-F1312 PolarHBondContact O-N 3.21Å; D1309-F1312 VanDerWaalsContact O-N 3.17Å; F1312-G1314 PolarHBondContact O-N 2.83Å; F1312-T1318 HydrophobicContact CB-CG2 4.08Å; F1312-T1318 HydrophobicContact CD1-CG2 4.2Å; F1312-T1318 HydrophobicContact CG-CG2 4.15Å
1313T69.9Low84.9Confident133 Ų13327.2 Ų27.282%0.81617%0.165SC*.SBendtrans-77.3110.9-173.653.10000112.7
1314G65.2Low84.9Confident49 Ų4925.9 Ų25.951%0.50516%0.157SC..SBendtrans136-168.5179.500000110.5R1271 F1312R1271-G1314 PolarHBondContact NE-O 3.16Å; R1271-G1314 PolarHBondContact NH2-O 2.97Å; R1271-G1314 VanDerWaalsContact NH2-O 3.09Å; F1312-G1314 PolarHBondContact O-N 2.83Å
1315T65.4Low85Confident93 Ų9325.9 Ų25.957%0.57116%0.156SC*.SBendtrans-124.43.1173.156.70000113.2H1269H1269-T1315 PolarHBondContact ND1-O 3.19Å
1316D73.6Confident85.1Confident88 Ų8824.8 Ų24.847%0.47115%0.151SC..SBendtrans-84.9168.1-178.4-168.123.8000111.8K1059 R1271 N1308K1059-D1316 WeakPolarHBondContact CE-OD2 3.34Å; K1059-D1316 IonicContact NZ-OD2 2.7Å; K1059-D1316 PolarHBondContact NZ-OD2 3.37Å; R1271-D1316 PolarHBondContact NH2-O 3.02Å; N1308-D1316 PolarHBondContact OD1-O 2.9Å
1317H85.5Confident85.3Confident12 Ų1226.3 Ų26.36%0.05616%0.156CC..  trans-62.7167173.3-59.4142.3000111.9K1059 D1264 H1269 H1306 N1308K1059-H1317 WeakPolarHBondContact CD-O 3.21Å; K1059-H1317 VanDerWaalsContact CE-O 3.26Å; K1059-H1317 WeakPolarHBondContact CE-O 3.45Å; K1059-H1317 HydrophobicContact CG-CB 4.39Å; K1059-H1317 PolarHBondContact NZ-O 3.42Å; K1059-H1317 WeakPolarHBondContact O-CB 3.41Å; K1059-H1317 PolarHBondContact O-ND1 2.91Å; D1264-H1317 VanDerWaalsContact CG-NE2 3.3Å; D1264-H1317 IonicContact OD1-CD2 2.71Å; D1264-H1317 PolarHBondContact OD1-CD2 2.66Å; D1264-H1317 IonicContact OD1-NE2 3.74Å; D1264-H1317 PolarHBondContact OD1-NE2 3.13Å; D1264-H1317 IonicContact OD2-CE1 2.79Å; D1264-H1317 IonicContact OD2-NE2 2.71Å; D1264-H1317 PolarHBondContact OD2-NE2 3.36Å; H1269-H1317 AromaticContact CE1-CD2 3.58Å; H1269-H1317 AromaticContact CE1-CE1 3.85Å; H1269-H1317 AromaticContact CE1-NE2 3.18Å; H1269-H1317 PolarHBondContact CE1-NE2 2.72Å; H1269-H1317 AromaticContact NE2-CE1 3.95Å; H1269-H1317 AromaticContact NE2-NE2 3.27Å; H1269-H1317 PolarHBondContact NE2-NE2 2.9Å; H1306-H1317 AromaticContact CE1-CD2 3.15Å; H1306-H1317 PolarHBondContact CE1-CD2 2.87Å; H1306-H1317 AromaticContact CE1-CE1 3.61Å; H1306-H1317 AromaticContact CE1-CG 3.55Å; H1306-H1317 AromaticContact CE1-ND1 3.85Å; H1306-H1317 AromaticContact CE1-NE2 3.2Å; H1306-H1317 PolarHBondContact CE1-NE2 2.86Å; H1306-H1317 AromaticContact ND1-CD2 3.54Å; H1306-H1317 AromaticContact ND1-CG 3.61Å; H1306-H1317 AromaticContact NE2-CD2 3.93Å; H1306-H1317 AromaticContact NE2-CE1 3.6Å; H1306-H1317 AromaticContact NE2-ND1 3.94Å; H1306-H1317 AromaticContact NE2-NE2 3.62Å; N1308-H1317 PolarHBondContact ND2-CD2 3.49Å
1318T86.2Confident85.4Confident2 Ų227 Ų271%0.01216%0.161CC..BIsolated β-bridgetrans-123.8135.7179.644.50000112.7D1005 G1307 N1308 D1309 F1312 E1320D1005-T1318 HydrophobicContact CB-CG2 4.45Å; G1307-T1318 CarbonylContact C-O 3.27Å; G1307-T1318 WeakPolarHBondContact CA-O 3.47Å; G1307-T1318 PolarHBondContact N-O 3.18Å; G1307-T1318 VanDerWaalsContact N-O 3.12Å; G1307-T1318 PolarHBondContact O-N 3.16Å; N1308-T1318 WeakPolarHBondContact CA-OG1 3.37Å; N1308-T1318 PolarHBondContact N-OG1 3.48Å; N1308-T1318 VanDerWaalsContact N-OG1 3.12Å; D1309-T1318 HydrophobicContact CB-CG2 4.06Å; D1309-T1318 PolarHBondContact N-OG1 3.14Å; F1312-T1318 HydrophobicContact CB-CG2 4.08Å; F1312-T1318 HydrophobicContact CD1-CG2 4.2Å; F1312-T1318 HydrophobicContact CG-CG2 4.15Å; T1318-E1320 PolarHBondContact O-N 3.43Å; T1318-E1320 PolarHBondContact OG1-OE1 2.92Å
1319R89.8Confident85.3Confident3 Ų330.5 Ų30.51%0.01118%0.176CC..  trans-77.488.6-178.7-175.564.8169.1-163.3-9.5112A997 D999 A1000 F1003 D1005 E1054 S1056 G1058 K1059A997-R1319 HydrophobicContact CB-CG 4.22Å; A997-R1319 PolarHBondContact N-O 3.47Å; D999-R1319 IonicContact OD1-CZ 3.92Å; D999-R1319 IonicContact OD1-NE 2.74Å; D999-R1319 PolarHBondContact OD1-NE 2.94Å; D999-R1319 IonicContact OD1-NH2 3.91Å; D999-R1319 PolarHBondContact OD1-NH2 3.1Å; D999-R1319 IonicContact OD2-CZ 2.7Å; D999-R1319 IonicContact OD2-NE 3.81Å; D999-R1319 IonicContact OD2-NH2 3.68Å; D999-R1319 PolarHBondContact OD2-NH2 2.93Å; A1000-R1319 HydrophobicContact CB-CB 4.31Å; A1000-R1319 HydrophobicContact CB-CG 4.41Å; A1000-R1319 WeakPolarHBondContact CB-O 3.43Å; F1003-R1319 HydrophobicContact CB-CB 4.01Å; F1003-R1319 HydrophobicContact CD2-CB 3.93Å; F1003-R1319 HydrophobicContact CD2-CG 3.53Å; F1003-R1319 HydrophobicContact CE2-CG 3.84Å; F1003-R1319 HydrophobicContact CG-CB 3.99Å; F1003-R1319 HydrophobicContact CG-CG 4.11Å; D1005-R1319 HydrophobicContact CB-CB 4.21Å; D1005-R1319 WeakPolarHBondContact OD2-CB 3.5Å; D1005-R1319 PolarHBondContact OD2-N 3.27Å; E1054-R1319 VanDerWaalsContact CG-NH1 3.3Å; E1054-R1319 PolarHBondContact O-NH2 2.92Å; E1054-R1319 IonicContact OE1-NH1 3.8Å; E1054-R1319 IonicContact OE2-CZ 3.37Å; E1054-R1319 IonicContact OE2-NH1 3.93Å; E1054-R1319 PolarHBondContact OE2-NH1 3.06Å; S1056-R1319 PolarHBondContact O-NH1 2.7Å; S1056-R1319 PolarHBondContact O-NH2 2.79Å; G1058-R1319 PolarHBondContact O-NH1 3.21Å; K1059-R1319 HydrophobicContact CD-CB 4.41Å
1320E92.2Very high85.1Confident1 Ų137.3 Ų37.31%0.00521%0.205CC..BIsolated β-bridgetrans-123.7161.3-175.7-68.1179.8-123.300112.6G993 I994 G995 S1008 D1009 T1010 T1318G993-E1320 VanDerWaalsContact CA-OE2 3.31Å; G993-E1320 WeakPolarHBondContact CA-OE2 3.39Å; I994-E1320 PolarHBondContact N-OE2 3.42Å; G995-E1320 PolarHBondContact N-OE2 2.87Å; G995-E1320 WeakPolarHBondContact O-CA 3.37Å; S1008-E1320 WeakPolarHBondContact OG-CG 3.17Å; D1009-E1320 WeakPolarHBondContact CA-OE2 3.27Å; T1010-E1320 VanDerWaalsContact N-CD 3.32Å; T1010-E1320 PolarHBondContact N-OE1 3.04Å; T1010-E1320 PolarHBondContact N-OE2 3.04Å; T1010-E1320 PolarHBondContact OG1-OE1 2.88Å; T1318-E1320 PolarHBondContact O-N 3.43Å; T1318-E1320 PolarHBondContact OG1-OE1 2.92Å
1321Y94.2Very high85Confident24 Ų2438.5 Ų38.59%0.09421%0.211CC..  trans-60.7148.2155.9-74.7-76.7000110.5G993 I994 G995 E996 P998 K1051 L1052 E1053 Q1339G993-Y1321 CarbonylContact C-O 3.57Å; G993-Y1321 WeakPolarHBondContact CA-O 3.41Å; I994-Y1321 WeakPolarHBondContact CG2-O 3.31Å; I994-Y1321 PolarHBondContact N-O 3.02Å; G995-Y1321 WeakPolarHBondContact O-CD2 3.46Å; G995-Y1321 PolarHBondContact O-N 3.46Å; E996-Y1321 WeakPolarHBondContact O-CD2 3.48Å; E996-Y1321 WeakPolarHBondContact O-CE2 3.33Å; P998-Y1321 VanDerWaalsContact CD-OH 3.3Å; P998-Y1321 WeakPolarHBondContact CD-OH 3.24Å; P998-Y1321 HydrophobicContact CG-CE2 4.31Å; P998-Y1321 WeakPolarHBondContact CG-OH 3.45Å; K1051-Y1321 HydrophobicContact CB-CD1 4.41Å; K1051-Y1321 HydrophobicContact CD-CD1 4.01Å; K1051-Y1321 HydrophobicContact CD-CD2 4.27Å; K1051-Y1321 HydrophobicContact CD-CG 3.85Å; K1051-Y1321 HydrophobicContact CG-CD1 3.85Å; K1051-Y1321 HydrophobicContact CG-CE1 4.48Å; K1051-Y1321 HydrophobicContact CG-CG 4.14Å; K1051-Y1321 VanDerWaalsContact NZ-CG 3.3Å; L1052-Y1321 WeakPolarHBondContact O-CA 3.44Å; L1052-Y1321 WeakPolarHBondContact O-CD1 3.39Å; E1053-Y1321 HydrophobicContact CB-CD1 4.14Å; E1053-Y1321 HydrophobicContact CB-CE1 3.7Å; E1053-Y1321 HydrophobicContact CG-CD1 4.36Å; E1053-Y1321 HydrophobicContact CG-CE1 3.71Å; E1053-Y1321 WeakPolarHBondContact OE2-CE1 3.41Å; E1053-Y1321 VanDerWaalsContact OE2-CZ 3.22Å; E1053-Y1321 PolarHBondContact OE2-OH 3.27Å; Y1321-Q1339 VanDerWaalsContact CE1-CD 3.48Å; Y1321-Q1339 HydrophobicContact CE1-CG 4.16Å; Y1321-Q1339 PolarHBondContact OH-NE2 3.47Å
1322V93.3Very high84.3Confident0 Ų040.5 Ų40.50%023%0.233CC..EExtended strand (participates in β ladder)trans-109.9143.6170.3-56.20000110.7K1051 L1052 A1304 Y1342K1051-V1322 CarbonylContact C-O 3.25Å; K1051-V1322 WeakPolarHBondContact CA-O 3.22Å; K1051-V1322 WeakPolarHBondContact CB-O 3.49Å; L1052-V1322 HydrophobicContact CB-CG2 3.92Å; L1052-V1322 PolarHBondContact N-O 2.58Å; L1052-V1322 PolarHBondContact O-N 3.07Å; A1304-V1322 HydrophobicContact CB-CB 3.77Å; A1304-V1322 HydrophobicContact CB-CG1 3.67Å; V1322-Y1342 HydrophobicContact CB-CE1 4.23Å; V1322-Y1342 HydrophobicContact CG1-CE1 3.88Å; V1322-Y1342 WeakPolarHBondContact CG1-OH 3.35Å; V1322-Y1342 HydrophobicContact CG2-CD1 3.89Å; V1322-Y1342 HydrophobicContact CG2-CE1 3.39Å
1323P93.7Very high84.3Confident0 Ų040.7 Ų40.70%024%0.242CC..EExtended strand (participates in β ladder)trans-73.3142.5174.931.5-34.3000109.7L991 I992 I994 L1011 L1030 I1033 T1303L991-P1323 HydrophobicContact CB-CG 3.75Å; L991-P1323 HydrophobicContact CD1-CB 4.37Å; L991-P1323 HydrophobicContact CD1-CG 3.94Å; L991-P1323 HydrophobicContact CG-CG 4.34Å; I992-P1323 WeakPolarHBondContact O-CD 3.35Å; I992-P1323 WeakPolarHBondContact O-CG 3.48Å; I994-P1323 HydrophobicContact CB-CB 4.4Å; I994-P1323 HydrophobicContact CB-CG 4.44Å; I994-P1323 HydrophobicContact CD1-CB 3.92Å; I994-P1323 HydrophobicContact CG2-CB 4.13Å; I994-P1323 HydrophobicContact CG2-CG 4.43Å; L1011-P1323 HydrophobicContact CD1-CG 4.14Å; L1030-P1323 HydrophobicContact CD1-CB 3.81Å; L1030-P1323 HydrophobicContact CD1-CG 4.3Å; I1033-P1323 HydrophobicContact CD1-CB 3.65Å; T1303-P1323 VanDerWaalsContact CA-O 3.3Å; T1303-P1323 WeakPolarHBondContact CA-O 3.31Å; T1303-P1323 PolarHBondContact OG1-O 3.42Å
1324L94Very high84.9Confident0 Ų038.8 Ų38.80%022%0.224CC..EExtended strand (participates in β ladder)trans-119.4120.8166.3175.469.1000108.6A1049 T1050 L1052 M1301 I1302 V1326 I1345 F1364A1049-L1324 WeakPolarHBondContact CA-O 3.24Å; T1050-L1324 HydrophobicContact CG2-CB 4.13Å; T1050-L1324 HydrophobicContact CG2-CD2 4.16Å; T1050-L1324 PolarHBondContact N-O 2.91Å; T1050-L1324 PolarHBondContact O-N 3.39Å; L1052-L1324 HydrophobicContact CD1-CB 4.05Å; L1052-L1324 HydrophobicContact CD1-CD2 4.13Å; L1052-L1324 HydrophobicContact CD1-CG 4.45Å; L1052-L1324 HydrophobicContact CD2-CB 4.35Å; L1052-L1324 HydrophobicContact CD2-CD2 4.07Å; L1052-L1324 HydrophobicContact CG-CB 3.94Å; L1052-L1324 HydrophobicContact CG-CD2 4.36Å; M1301-L1324 HydrophobicContact CB-CD1 4.25Å; I1302-L1324 WeakPolarHBondContact O-CA 3.44Å; L1324-V1326 HydrophobicContact CD1-CG2 4Å; L1324-V1326 HydrophobicContact CD2-CG2 3.75Å; L1324-V1326 HydrophobicContact CG-CG2 3.64Å; L1324-I1345 HydrophobicContact CD1-CD1 4.11Å; L1324-I1345 HydrophobicContact CD1-CG1 4.4Å; L1324-F1364 HydrophobicContact CD2-CE1 3.82Å; L1324-F1364 HydrophobicContact CD2-CE2 4.17Å; L1324-F1364 HydrophobicContact CD2-CZ 3.52Å
1325L93.5Very high85.8Confident3 Ų337.2 Ų37.22%0.01621%0.208CC..EExtended strand (participates in β ladder)trans-109.3133.8167.3-55.9-179.7000109L991 L1025 L1028 L1030 I1033 A1049 M1301 I1302L991-L1325 HydrophobicContact CD1-CD1 3.97Å; L991-L1325 HydrophobicContact CD1-CG 4.07Å; L1025-L1325 HydrophobicContact CD2-CD1 3.74Å; L1028-L1325 HydrophobicContact CB-CD1 4.07Å; L1030-L1325 HydrophobicContact CB-CD1 4.31Å; L1030-L1325 HydrophobicContact CB-CD2 4.32Å; L1030-L1325 HydrophobicContact CD1-CD1 4.16Å; L1030-L1325 HydrophobicContact CD1-CD2 4.28Å; L1030-L1325 HydrophobicContact CD1-CG 4.35Å; I1033-L1325 HydrophobicContact CD1-CD2 4.17Å; A1049-L1325 HydrophobicContact CB-CD2 3.78Å; M1301-L1325 CarbonylContact C-O 3.59Å; M1301-L1325 WeakPolarHBondContact CA-O 3.45Å; I1302-L1325 HydrophobicContact CB-CB 4.3Å; I1302-L1325 PolarHBondContact N-O 3.37Å; I1302-L1325 PolarHBondContact O-N 3.41Å
1326V92Very high86.7Confident1 Ų138.7 Ų38.71%0.00621%0.206CC..EExtended strand (participates in β ladder)trans-130.9129-176.4-166.60000109.3G1047 Y1048 L1299 L1300 M1301 L1324 M1331 L1337 F1364 L1368G1047-V1326 CarbonylContact C-O 3.55Å; G1047-V1326 WeakPolarHBondContact CA-O 3.27Å; Y1048-V1326 PolarHBondContact N-O 3.38Å; Y1048-V1326 PolarHBondContact O-N 2.97Å; L1299-V1326 HydrophobicContact CD1-CG1 3.69Å; L1300-V1326 CarbonylContact O-C 3.46Å; L1300-V1326 WeakPolarHBondContact O-CA 3.47Å; M1301-V1326 HydrophobicContact CG-CG1 4.11Å; M1301-V1326 HydrophobicContact CG-CG2 4.45Å; L1324-V1326 HydrophobicContact CD1-CG2 4Å; L1324-V1326 HydrophobicContact CD2-CG2 3.75Å; L1324-V1326 HydrophobicContact CG-CG2 3.64Å; V1326-M1331 HydrophobicContact CG1-CE 3.9Å; V1326-L1337 HydrophobicContact CG2-CD1 4.29Å; V1326-F1364 HydrophobicContact CG1-CE2 4.49Å; V1326-F1364 HydrophobicContact CG2-CE2 4.01Å; V1326-F1364 HydrophobicContact CG2-CZ 4.46Å; V1326-L1368 HydrophobicContact CG1-CD1 3.83Å; V1326-L1368 HydrophobicContact CG1-CD2 4.21Å
1327Y92Very high87.4Confident42 Ų4234.9 Ų34.917%0.16519%0.186CC..EExtended strand (participates in β ladder)trans-143.4146.7-177.3177.4-93.6000112.2L1028 D1046 L1291 M1294 L1300 K1329L1028-Y1327 HydrophobicContact CD2-CD2 3.94Å; L1028-Y1327 HydrophobicContact CD2-CG 4.02Å; D1046-Y1327 HydrophobicContact CB-CD2 4.36Å; D1046-Y1327 HydrophobicContact CB-CE2 4.07Å; D1046-Y1327 WeakPolarHBondContact O-CD2 3.39Å; L1291-Y1327 HydrophobicContact CD2-CD1 3.45Å; L1291-Y1327 VanDerWaalsContact CD2-CD1 3.45Å; L1291-Y1327 HydrophobicContact CD2-CE1 3.68Å; L1291-Y1327 HydrophobicContact CD2-CG 4.03Å; M1294-Y1327 HydrophobicContact CE-CD1 4.01Å; M1294-Y1327 HydrophobicContact CE-CE1 4.46Å; M1294-Y1327 HydrophobicContact SD-CD1 3.7Å; M1294-Y1327 HydrophobicContact SD-CE1 4.02Å; L1300-Y1327 PolarHBondContact N-O 3.45Å; L1300-Y1327 PolarHBondContact O-N 3.5Å; Y1327-K1329 HydrophobicContact CE1-CG 4.23Å
1328S90.5Very high87.5Confident13 Ų1338.3 Ų38.39%0.09121%0.209CC..  trans-157.4142.2170.1178.80000109.9D1298 K1330 M1331D1298-S1328 WeakPolarHBondContact O-CB 3.44Å; D1298-S1328 PolarHBondContact O-OG 2.85Å; S1328-K1330 PolarHBondContact O-N 3.04Å; S1328-K1330 VanDerWaalsContact O-N 3.07Å; S1328-K1330 PolarHBondContact OG-N 3.14Å; S1328-M1331 PolarHBondContact N-SD 3.09Å; S1328-M1331 WeakPolarHBondContact O-CB 3.46Å; S1328-M1331 PolarHBondContact O-N 3.15Å
1329K86.9Confident87.8Confident76 Ų7642.7 Ų42.733%0.3323%0.23SC..THydrogen-bonded Turntrans-61.2-15.1174.1-69177179.8173.10113.2L1291 D1292 M1294 Y1327L1291-K1329 WeakPolarHBondContact O-CE 3.4Å; L1291-K1329 PolarHBondContact O-NZ 2.84Å; D1292-K1329 PolarHBondContact O-NZ 2.57Å; M1294-K1329 HydrophobicContact CB-CD 4.48Å; M1294-K1329 PolarHBondContact O-NZ 3.42Å; Y1327-K1329 HydrophobicContact CE1-CG 4.23Å
1330K82.7Confident87.9Confident142 Ų14243 Ų4362%0.61723%0.233SC*.THydrogen-bonded Turntrans-88.3-9.8174.3-100.6171.2-163-177.40115.7D1296 D1297 S1328 A1332D1296-K1330 WeakPolarHBondContact O-CD 3.22Å; D1296-K1330 WeakPolarHBondContact O-CG 3.36Å; D1297-K1330 HydrophobicContact CB-CD 4.06Å; S1328-K1330 PolarHBondContact O-N 3.04Å; S1328-K1330 VanDerWaalsContact O-N 3.07Å; S1328-K1330 PolarHBondContact OG-N 3.14Å; K1330-A1332 PolarHBondContact O-N 2.69Å
1331M82.8Confident87.9Confident31 Ų3147.7 Ų47.715%0.15325%0.252CS..  trans-67.6125.3-179.3-75.6164.1-169.900110.8Y1048 L1299 V1326 S1328 A1333 L1368Y1048-M1331 HydrophobicContact CD2-SD 3.83Å; Y1048-M1331 HydrophobicContact CE2-CG 4.33Å; Y1048-M1331 HydrophobicContact CE2-SD 4.17Å; L1299-M1331 HydrophobicContact CD1-CE 3.41Å; L1299-M1331 VanDerWaalsContact CD1-CE 3.41Å; V1326-M1331 HydrophobicContact CG1-CE 3.9Å; S1328-M1331 PolarHBondContact N-SD 3.09Å; S1328-M1331 WeakPolarHBondContact O-CB 3.46Å; S1328-M1331 PolarHBondContact O-N 3.15Å; M1331-A1333 VanDerWaalsContact C-N 3.34Å; M1331-L1368 HydrophobicContact CE-CB 4.25Å; M1331-L1368 HydrophobicContact CE-CD1 4.19Å; M1331-L1368 HydrophobicContact CE-CD2 4.23Å; M1331-L1368 HydrophobicContact CE-CG 4.47Å
1332A68.8Low87.9Confident96 Ų9646.6 Ų46.679%0.79325%0.247SC*.SBendtrans-87.8-3.4179.400000113.6K1330K1330-A1332 PolarHBondContact O-N 2.69Å
1333A77.7Confident87.9Confident45 Ų4546.7 Ų46.737%0.37225%0.248SC..  trans-154.6165-17900000110.3Y1048 M1331Y1048-A1333 WeakPolarHBondContact CE2-O 3.37Å; M1331-A1333 VanDerWaalsContact C-N 3.34Å
1334Q82.9Confident87.9Confident94 Ų9447.3 Ų47.344%0.43925%0.251SS..  trans-120.4169.8173.554.7-93.997.800110.7H1045 G1047H1045-Q1334 WeakPolarHBondContact O-CB 3.31Å; H1045-Q1334 WeakPolarHBondContact O-CG 3.35Å; H1045-Q1334 PolarHBondContact O-NE2 3.22Å; G1047-Q1334 WeakPolarHBondContact O-CA 3.29Å; G1047-Q1334 VanDerWaalsContact O-CB 3.27Å; G1047-Q1334 WeakPolarHBondContact O-CB 3.49Å
1335G84.9Confident87.9Confident16 Ų1647.7 Ų47.717%0.16525%0.253CS..EExtended strand (participates in β ladder)trans151.6-165.6162.300000115.9H1045 G1047 Y1048 A1049H1045-G1335 PolarHBondContact CE1-O 3.15Å; H1045-G1335 WeakPolarHBondContact NE2-CA 2.97Å; G1047-G1335 PolarHBondContact O-N 3.12Å; Y1048-G1335 VanDerWaalsContact CA-O 3.23Å; Y1048-G1335 WeakPolarHBondContact CA-O 3.3Å; Y1048-G1335 WeakPolarHBondContact CD1-O 3.47Å; A1049-G1335 PolarHBondContact N-O 3.27Å
1336K83.9Confident88Confident124 Ų12447.5 Ų47.554%0.53925%0.252SS..EExtended strand (participates in β ladder)trans-88.6119.7-179.9-168.2158.6-168.3164.40111.3T1032 I1033 A1049T1032-K1336 PolarHBondContact O-NZ 2.98Å; I1033-K1336 PolarHBondContact O-NZ 3.41Å; A1049-K1336 WeakPolarHBondContact O-CA 3.46Å
1337L87.6Confident88Confident8 Ų847.8 Ų47.84%0.04226%0.255CS..PPolyproline II helixtrans-73.9158.9168-68.7169.3000109.9Y1048 A1049 T1050 V1326 F1364 L1367 L1368Y1048-L1337 HydrophobicContact CD1-CD2 3.83Å; Y1048-L1337 HydrophobicContact CD1-CG 3.9Å; Y1048-L1337 HydrophobicContact CE1-CD2 4.38Å; Y1048-L1337 HydrophobicContact CG-CD2 4.46Å; Y1048-L1337 HydrophobicContact CG-CG 4.32Å; A1049-L1337 PolarHBondContact O-N 3.05Å; T1050-L1337 HydrophobicContact CG2-CB 3.82Å; T1050-L1337 HydrophobicContact CG2-CD1 4.32Å; T1050-L1337 PolarHBondContact OG1-O 2.78Å; V1326-L1337 HydrophobicContact CG2-CD1 4.29Å; L1337-F1364 HydrophobicContact CD1-CD2 3.92Å; L1337-F1364 HydrophobicContact CD1-CE2 4.33Å; L1337-F1364 HydrophobicContact CD1-CG 4.36Å; L1337-L1367 HydrophobicContact CD2-CB 3.58Å; L1337-L1367 HydrophobicContact CD2-CD1 3.85Å; L1337-L1367 HydrophobicContact CD2-CG 4.37Å; L1337-L1368 HydrophobicContact CD1-CD2 4.2Å; L1337-L1368 HydrophobicContact CD2-CD2 4.2Å
1338P87.8Confident88.1Confident84 Ų8445.8 Ų45.855%0.54525%0.247SC..PPolyproline II helixtrans-57.6158.9166.226.9-35.4000111.1T1050 G1340 L1367T1050-P1338 WeakPolarHBondContact CB-O 3.32Å; T1050-P1338 VanDerWaalsContact OG1-C 3.28Å; T1050-P1338 PolarHBondContact OG1-O 3.39Å; P1338-G1340 PolarHBondContact O-N 2.57Å; P1338-L1367 HydrophobicContact CG-CD1 3.93Å
1339Q92Very high88.3Confident94 Ų9446 Ų4644%0.43925%0.247SC..PPolyproline II helixtrans-64.2129.5165.6178.3177.7-58.200108.4K1051 E1053 Y1321K1051-Q1339 VanDerWaalsContact CE-OE1 3.3Å; K1051-Q1339 HydrophobicContact CG-CG 4.4Å; E1053-Q1339 PolarHBondContact OE2-NE2 3.25Å; Y1321-Q1339 VanDerWaalsContact CE1-CD 3.48Å; Y1321-Q1339 HydrophobicContact CE1-CG 4.16Å; Y1321-Q1339 PolarHBondContact OH-NE2 3.47Å
1340G91.8Very high88.5Confident8 Ų842.5 Ų42.58%0.08223%0.232CC..EExtended strand (participates in β ladder)trans-122.8-161.9-179.900000112.2K1051 L1052 E1053 P1338 D1344K1051-G1340 PolarHBondContact O-N 3.47Å; L1052-G1340 CarbonylContact C-O 3.46Å; L1052-G1340 WeakPolarHBondContact CA-O 3.29Å; E1053-G1340 PolarHBondContact N-O 2.92Å; P1338-G1340 PolarHBondContact O-N 2.57Å; G1340-D1344 WeakPolarHBondContact CA-OD2 3.4Å
1341Y93.9Very high89Confident101 Ų10139 Ų3940%0.39622%0.218SC..EExtended strand (participates in β ladder)trans-121.3161.1176.7-55.6-81.8000111.2E1053 I1055 S1343 D1344E1053-Y1341 HydrophobicContact CB-CD1 3.8Å; E1053-Y1341 HydrophobicContact CB-CE1 4.06Å; E1053-Y1341 WeakPolarHBondContact O-CA 3.35Å; I1055-Y1341 HydrophobicContact CD1-CD1 3.65Å; I1055-Y1341 HydrophobicContact CD1-CD2 4.23Å; I1055-Y1341 HydrophobicContact CD1-CE1 4.24Å; I1055-Y1341 HydrophobicContact CD1-CG 3.65Å; I1055-Y1341 HydrophobicContact CG1-CD1 3.35Å; I1055-Y1341 HydrophobicContact CG1-CE1 3.97Å; I1055-Y1341 HydrophobicContact CG1-CG 3.85Å; Y1341-S1343 PolarHBondContact O-N 2.95Å; Y1341-D1344 PolarHBondContact N-OD2 3.02Å; Y1341-D1344 VanDerWaalsContact O-CB 3.27Å; Y1341-D1344 WeakPolarHBondContact O-CB 3.21Å; Y1341-D1344 PolarHBondContact O-N 2.88Å
1342Y93.3Very high89.5Confident1 Ų140.5 Ų40.50%0.00423%0.226CC..THydrogen-bonded Turntrans-55-41.7-179.2-75.224.1000111.9L1052 E1053 E1054 E1067 I1068 D1305 V1322 D1344 I1345L1052-Y1342 HydrophobicContact CB-CD1 3.82Å; L1052-Y1342 HydrophobicContact CB-CE1 4.4Å; E1053-Y1342 WeakPolarHBondContact O-CD1 3.32Å; E1053-Y1342 PolarHBondContact O-N 3.33Å; E1053-Y1342 VanDerWaalsContact O-N 3.11Å; E1054-Y1342 HydrophobicContact CB-CD1 4.26Å; E1054-Y1342 HydrophobicContact CB-CD2 4.31Å; E1054-Y1342 HydrophobicContact CB-CE1 3.78Å; E1054-Y1342 HydrophobicContact CB-CE2 3.83Å; E1054-Y1342 HydrophobicContact CG-CD2 4.03Å; E1054-Y1342 HydrophobicContact CG-CE1 4.49Å; E1054-Y1342 HydrophobicContact CG-CE2 3.63Å; E1067-Y1342 HydrophobicContact CB-CD2 4.23Å; I1068-Y1342 HydrophobicContact CD1-CD2 4.39Å; I1068-Y1342 HydrophobicContact CG1-CD2 3.93Å; I1068-Y1342 HydrophobicContact CG1-CG 4.14Å; D1305-Y1342 WeakPolarHBondContact O-CE2 3.42Å; D1305-Y1342 PolarHBondContact O-OH 2.89Å; V1322-Y1342 HydrophobicContact CB-CE1 4.23Å; V1322-Y1342 HydrophobicContact CG1-CE1 3.88Å; V1322-Y1342 WeakPolarHBondContact CG1-OH 3.35Å; V1322-Y1342 HydrophobicContact CG2-CD1 3.89Å; V1322-Y1342 HydrophobicContact CG2-CE1 3.39Å; Y1342-D1344 PolarHBondContact O-N 3.45Å; Y1342-I1345 WeakPolarHBondContact O-CB 3.46Å; Y1342-I1345 PolarHBondContact O-N 3.37Å; Y1342-I1345 VanDerWaalsContact O-N 3.15Å
1343S93.1Very high90.6Very high1 Ų138.1 Ų38.11%0.00720%0.198CC..THydrogen-bonded Turntrans-67.1-13.3-179.952.50000114.9E1067 Y1341 I1345 A1346 A1347 G1361E1067-S1343 WeakPolarHBondContact O-CA 3.41Å; E1067-S1343 WeakPolarHBondContact O-CB 3.19Å; E1067-S1343 PolarHBondContact O-N 3.09Å; Y1341-S1343 PolarHBondContact O-N 2.95Å; S1343-I1345 PolarHBondContact O-N 3.27Å; S1343-A1346 WeakPolarHBondContact O-CB 3.47Å; S1343-A1346 PolarHBondContact O-N 2.63Å; S1343-A1346 VanDerWaalsContact O-N 3.13Å; S1343-A1347 PolarHBondContact O-N 3Å; S1343-A1347 VanDerWaalsContact O-N 3.1Å; S1343-G1361 WeakPolarHBondContact O-CA 3.3Å; S1343-G1361 PolarHBondContact OG-N 3.19Å
1344D94.2Very high91.3Very high14 Ų1443.3 Ų43.38%0.07522%0.22CC..Hα-helixtrans-64.5-24.5172.1-61.5-12.7000111.6G1340 Y1341 Y1342 T1348 G1361 E1362 F1364G1340-D1344 WeakPolarHBondContact CA-OD2 3.4Å; Y1341-D1344 PolarHBondContact N-OD2 3.02Å; Y1341-D1344 VanDerWaalsContact O-CB 3.27Å; Y1341-D1344 WeakPolarHBondContact O-CB 3.21Å; Y1341-D1344 PolarHBondContact O-N 2.88Å; Y1342-D1344 PolarHBondContact O-N 3.45Å; D1344-T1348 VanDerWaalsContact O-CB 3.24Å; D1344-T1348 WeakPolarHBondContact O-CB 3.25Å; D1344-T1348 PolarHBondContact O-N 3.26Å; D1344-T1348 PolarHBondContact O-OG1 3.09Å; D1344-G1361 WeakPolarHBondContact OD1-CA 3.41Å; D1344-E1362 WeakPolarHBondContact CB-O 3.23Å; D1344-E1362 PolarHBondContact OD1-N 2.78Å; D1344-F1364 HydrophobicContact CB-CD1 3.94Å; D1344-F1364 HydrophobicContact CB-CE1 4Å
1345I94.4Very high91.8Very high7 Ų739.5 Ų39.54%0.03620%0.203CC..Hα-helixtrans-62.8-51.4170.8-63.9178.2000109.9L1052 I1068 M1301 T1303 L1324 Y1342 S1343 A1347 T1348 I1349L1052-I1345 HydrophobicContact CD1-CD1 3.63Å; L1052-I1345 HydrophobicContact CD1-CG1 3.81Å; I1068-I1345 HydrophobicContact CG1-CD1 4.37Å; I1068-I1345 HydrophobicContact CG2-CB 4.37Å; I1068-I1345 HydrophobicContact CG2-CD1 4.17Å; I1068-I1345 HydrophobicContact CG2-CG2 4.09Å; M1301-I1345 HydrophobicContact SD-CG2 4Å; T1303-I1345 HydrophobicContact CG2-CD1 3.88Å; L1324-I1345 HydrophobicContact CD1-CD1 4.11Å; L1324-I1345 HydrophobicContact CD1-CG1 4.4Å; Y1342-I1345 WeakPolarHBondContact O-CB 3.46Å; Y1342-I1345 PolarHBondContact O-N 3.37Å; Y1342-I1345 VanDerWaalsContact O-N 3.15Å; S1343-I1345 PolarHBondContact O-N 3.27Å; I1345-A1347 PolarHBondContact O-N 3.03Å; I1345-T1348 PolarHBondContact O-N 2.9Å; I1345-I1349 HydrophobicContact CG2-CD1 3.69Å; I1345-I1349 HydrophobicContact CG2-CG1 4.37Å; I1345-I1349 VanDerWaalsContact O-CG1 3.31Å; I1345-I1349 WeakPolarHBondContact O-CG1 3.3Å; I1345-I1349 PolarHBondContact O-N 3.14Å
1346A93.8Very high92Very high0 Ų042.3 Ų42.30%022%0.218CC..Hα-helixtrans-58.6-44.5176.700000112.6I1068 V1202 S1343 T1348 I1349 A1350I1068-A1346 WeakPolarHBondContact O-CB 3.03Å; I1068-A1346 PolarHBondContact O-N 2.83Å; V1202-A1346 HydrophobicContact CB-CB 3.95Å; V1202-A1346 HydrophobicContact CG1-CB 3.87Å; S1343-A1346 WeakPolarHBondContact O-CB 3.47Å; S1343-A1346 PolarHBondContact O-N 2.63Å; S1343-A1346 VanDerWaalsContact O-N 3.13Å; A1346-T1348 VanDerWaalsContact C-N 3.33Å; A1346-T1348 PolarHBondContact O-N 3.06Å; A1346-I1349 PolarHBondContact O-N 3.21Å; A1346-A1350 WeakPolarHBondContact O-CB 3.41Å; A1346-A1350 PolarHBondContact O-N 2.7Å
1347A93.3Very high92.2Very high7 Ų739.6 Ų39.66%0.05822%0.219CC..Hα-helixtrans-62.4-39.8176.400000112.3S1343 I1345 A1350 E1351 G1361S1343-A1347 PolarHBondContact O-N 3Å; S1343-A1347 VanDerWaalsContact O-N 3.1Å; I1345-A1347 PolarHBondContact O-N 3.03Å; A1347-A1350 PolarHBondContact O-N 2.79Å; A1347-E1351 PolarHBondContact O-N 3.02Å; A1347-G1361 WeakPolarHBondContact CB-O 3.19Å
1348T93.3Very high92.2Very high0 Ų040.3 Ų40.30%022%0.224CC..Hα-helixtrans-68.8-41.8177.9-59.50000111.9M1301 D1344 I1345 A1346 A1350 E1351 N1352 S1363 F1364 L1365M1301-T1348 HydrophobicContact CE-CG2 3.57Å; D1344-T1348 VanDerWaalsContact O-CB 3.24Å; D1344-T1348 WeakPolarHBondContact O-CB 3.25Å; D1344-T1348 PolarHBondContact O-N 3.26Å; D1344-T1348 PolarHBondContact O-OG1 3.09Å; I1345-T1348 PolarHBondContact O-N 2.9Å; A1346-T1348 VanDerWaalsContact C-N 3.33Å; A1346-T1348 PolarHBondContact O-N 3.06Å; T1348-A1350 VanDerWaalsContact C-N 3.34Å; T1348-E1351 PolarHBondContact O-N 3.06Å; T1348-N1352 VanDerWaalsContact O-CB 3.3Å; T1348-N1352 WeakPolarHBondContact O-CB 3.43Å; T1348-N1352 PolarHBondContact O-N 2.93Å; T1348-S1363 WeakPolarHBondContact OG1-CA 3.31Å; T1348-F1364 HydrophobicContact CG2-CD2 3.94Å; T1348-F1364 HydrophobicContact CG2-CE1 4.43Å; T1348-F1364 HydrophobicContact CG2-CE2 3.64Å; T1348-F1364 HydrophobicContact CG2-CG 4.44Å; T1348-F1364 HydrophobicContact CG2-CZ 3.89Å; T1348-F1364 VanDerWaalsContact OG1-CD1 3.22Å; T1348-F1364 WeakPolarHBondContact OG1-CD1 3.5Å; T1348-F1364 VanDerWaalsContact OG1-CE1 3.24Å; T1348-F1364 WeakPolarHBondContact OG1-CE1 3.37Å; T1348-F1364 WeakPolarHBondContact OG1-CG 3.3Å; T1348-F1364 PolarHBondContact OG1-N 2.79Å; T1348-F1364 VanDerWaalsContact OG1-N 3.07Å; T1348-L1365 HydrophobicContact CG2-CB 3.95Å; T1348-L1365 HydrophobicContact CG2-CD1 4.28Å
1349I94.4Very high91.8Very high18 Ų1845.9 Ų45.99%0.09224%0.242CC..Hα-helixtrans-61.7-43.7173.3-69.5169.7000110.2V1202 L1206 L1255 I1345 A1346 N1352 F1353V1202-I1349 HydrophobicContact CG2-CB 4.1Å; V1202-I1349 HydrophobicContact CG2-CG2 3.71Å; L1206-I1349 HydrophobicContact CD1-CG2 3.93Å; L1206-I1349 HydrophobicContact CD2-CG2 4.46Å; L1206-I1349 HydrophobicContact CG-CG2 4.48Å; L1255-I1349 HydrophobicContact CD1-CD1 4.15Å; L1255-I1349 HydrophobicContact CD2-CD1 4.15Å; I1345-I1349 HydrophobicContact CG2-CD1 3.69Å; I1345-I1349 HydrophobicContact CG2-CG1 4.37Å; I1345-I1349 VanDerWaalsContact O-CG1 3.31Å; I1345-I1349 WeakPolarHBondContact O-CG1 3.3Å; I1345-I1349 PolarHBondContact O-N 3.14Å; A1346-I1349 PolarHBondContact O-N 3.21Å; I1349-N1352 PolarHBondContact O-N 2.8Å; I1349-F1353 HydrophobicContact CG2-CD2 4.01Å; I1349-F1353 HydrophobicContact CG2-CE2 4.32Å; I1349-F1353 WeakPolarHBondContact O-CD2 3.25Å; I1349-F1353 PolarHBondContact O-N 3Å; I1349-F1353 VanDerWaalsContact O-N 3.11Å
1350A92.1Very high91.7Very high1 Ų143.3 Ų43.31%0.00823%0.231CC..Hα-helixtrans-61.5-47178.800000112.6V1202 A1346 A1347 T1348 N1352 F1353 D1354 V1355 A1357V1202-A1350 HydrophobicContact CG2-CB 4.19Å; A1346-A1350 WeakPolarHBondContact O-CB 3.41Å; A1346-A1350 PolarHBondContact O-N 2.7Å; A1347-A1350 PolarHBondContact O-N 2.79Å; T1348-A1350 VanDerWaalsContact C-N 3.34Å; A1350-N1352 VanDerWaalsContact C-N 3.29Å; A1350-N1352 PolarHBondContact O-N 3.04Å; A1350-F1353 PolarHBondContact O-N 2.86Å; A1350-D1354 PolarHBondContact O-N 3.09Å; A1350-D1354 VanDerWaalsContact O-N 3.14Å; A1350-V1355 HydrophobicContact CB-CG2 4.23Å; A1350-V1355 PolarHBondContact O-N 2.76Å; A1350-V1355 VanDerWaalsContact O-N 3.09Å; A1350-A1357 HydrophobicContact CB-CB 3.94Å
1351E93.3Very high91.6Very high70 Ų7044.7 Ų44.733%0.32725%0.246SC..Hα-helixtrans-66.5-29.7175-165.5-176.2165.700112.4A1347 T1348 S1363 L1365 K1366A1347-E1351 PolarHBondContact O-N 3.02Å; T1348-E1351 PolarHBondContact O-N 3.06Å; E1351-S1363 WeakPolarHBondContact OE2-CB 3.11Å; E1351-S1363 PolarHBondContact OE2-OG 3.28Å; E1351-L1365 HydrophobicContact CB-CD2 3.86Å; E1351-L1365 HydrophobicContact CG-CD2 3.84Å; E1351-K1366 VanDerWaalsContact OE1-CE 3.31Å; E1351-K1366 WeakPolarHBondContact OE1-CE 3.45Å; E1351-K1366 IonicContact OE1-NZ 2.64Å; E1351-K1366 PolarHBondContact OE1-NZ 2.7Å; E1351-K1366 IonicContact OE2-NZ 2.63Å; E1351-K1366 PolarHBondContact OE2-NZ 2.77Å
1352N92.5Very high91.5Very high62 Ų6247.4 Ų47.433%0.33226%0.262SS..Hα-helixtrans-72.4-34.3-179.4-16767.7000113.1T1348 I1349 A1350 L1365T1348-N1352 VanDerWaalsContact O-CB 3.3Å; T1348-N1352 WeakPolarHBondContact O-CB 3.43Å; T1348-N1352 PolarHBondContact O-N 2.93Å; I1349-N1352 PolarHBondContact O-N 2.8Å; A1350-N1352 VanDerWaalsContact C-N 3.29Å; A1350-N1352 PolarHBondContact O-N 3.04Å; N1352-L1365 HydrophobicContact CB-CD1 4.34Å; N1352-L1365 HydrophobicContact CB-CD2 3.86Å
1353F92.9Very high91.4Very high45 Ų4548.5 Ų48.520%0.19727%0.27CS..Hα-helixtrans-99.40.7-179.9-70.7-73.2000114.9L1206 K1211 G1254 I1349 A1350 V1355L1206-F1353 HydrophobicContact CD2-CB 3.75Å; L1206-F1353 HydrophobicContact CD2-CD2 3.67Å; L1206-F1353 HydrophobicContact CD2-CE2 4.46Å; L1206-F1353 HydrophobicContact CD2-CG 3.74Å; K1211-F1353 HydrophobicContact CD-CD1 4.29Å; G1254-F1353 WeakPolarHBondContact O-CZ 3.15Å; I1349-F1353 HydrophobicContact CG2-CD2 4.01Å; I1349-F1353 HydrophobicContact CG2-CE2 4.32Å; I1349-F1353 WeakPolarHBondContact O-CD2 3.25Å; I1349-F1353 PolarHBondContact O-N 3Å; I1349-F1353 VanDerWaalsContact O-N 3.11Å; A1350-F1353 PolarHBondContact O-N 2.86Å; F1353-V1355 VanDerWaalsContact C-N 3.33Å; F1353-V1355 HydrophobicContact CB-CG1 4.12Å; F1353-V1355 HydrophobicContact CB-CG2 4.32Å
1354D92Very high91.3Very high155 Ų15549.3 Ų49.383%0.82927%0.273SS*.THydrogen-bonded Turntrans55.644.4-174.2-160.331.2000112.4A1350A1350-D1354 PolarHBondContact O-N 3.09Å; A1350-D1354 VanDerWaalsContact O-N 3.14Å
1355V93.5Very high91Very high13 Ų1348.8 Ų48.88%0.07927%0.271CS..  trans-112.8159.4178.9-59.10000111.2L1206 N1209 K1211 A1350 F1353 A1357L1206-V1355 HydrophobicContact CD2-CG1 4.4Å; L1206-V1355 HydrophobicContact CD2-CG2 4.07Å; L1206-V1355 HydrophobicContact CG-CG2 4.48Å; N1209-V1355 HydrophobicContact CB-CG1 3.71Å; K1211-V1355 HydrophobicContact CG-CG1 4.31Å; A1350-V1355 HydrophobicContact CB-CG2 4.23Å; A1350-V1355 PolarHBondContact O-N 2.76Å; A1350-V1355 VanDerWaalsContact O-N 3.09Å; F1353-V1355 VanDerWaalsContact C-N 3.33Å; F1353-V1355 HydrophobicContact CB-CG1 4.12Å; F1353-V1355 HydrophobicContact CB-CG2 4.32Å; V1355-A1357 PolarHBondContact O-N 2.93Å
1356P90.1Very high90.6Very high75 Ų7555.1 Ų55.149%0.48730%0.298SS..PPolyproline II helixtrans-58.8123.6-179.2-25.135.5000112.5S1205 N1209S1205-P1356 WeakPolarHBondContact CB-O 3.42Å; S1205-P1356 PolarHBondContact OG-O 3.02Å; N1209-P1356 VanDerWaalsContact ND2-CD 3.32Å; N1209-P1356 WeakPolarHBondContact ND2-CD 3.29Å
1357A87.2Confident90.3Very high68 Ų6859.1 Ų59.156%0.56232%0.319SS*.PPolyproline II helixtrans-67.7154.8174.200000112.1A1350 V1355A1350-A1357 HydrophobicContact CB-CB 3.94Å; V1355-A1357 PolarHBondContact O-N 2.93Å
1358T87.6Confident89.9Confident23 Ų2359.3 Ų59.314%0.14132%0.319CS..PPolyproline II helixtrans-72.1170.3171.441.60000112.2G1070 V1202 N1360G1070-T1358 WeakPolarHBondContact CA-OG1 3.28Å; G1070-T1358 WeakPolarHBondContact O-CB 3.25Å; V1202-T1358 HydrophobicContact CB-CG2 4.46Å; T1358-N1360 PolarHBondContact O-N 2.6Å; T1358-N1360 PolarHBondContact OG1-O 2.75Å; T1358-N1360 VanDerWaalsContact OG1-O 3.08Å
1359E80.1Confident88.8Confident200 Ų20068.1 Ų68.194%0.93536%0.357SS*.SBendtrans-69.8-15.4179.5-60.7-169.4158.900113.7
1360N89.3Confident88.5Confident40 Ų4070.6 Ų70.621%0.21437%0.37CS..SBendtrans-123.2154-179.2-47.7-89.1000111.2G1070 N1072 T1358G1070-N1360 PolarHBondContact O-ND2 2.97Å; N1072-N1360 WeakPolarHBondContact CB-ND2 3.43Å; N1072-N1360 VanDerWaalsContact CB-OD1 3.3Å; N1072-N1360 WeakPolarHBondContact CB-OD1 3.22Å; N1072-N1360 PolarHBondContact ND2-OD1 2.78Å; T1358-N1360 PolarHBondContact O-N 2.6Å; T1358-N1360 PolarHBondContact OG1-O 2.75Å; T1358-N1360 VanDerWaalsContact OG1-O 3.08Å
1361G89Confident88.3Confident37 Ų3774.3 Ų74.338%0.38139%0.389SS..  trans103.1143176.700000114.9S1343 D1344 A1347S1343-G1361 WeakPolarHBondContact O-CA 3.3Å; S1343-G1361 PolarHBondContact OG-N 3.19Å; D1344-G1361 WeakPolarHBondContact OD1-CA 3.41Å; A1347-G1361 WeakPolarHBondContact CB-O 3.19Å
1362E91.5Very high88Confident159 Ų15974.5 Ų74.574%0.74339%0.393SS*.  trans-111.4122.9167.5-173.3168.6-174.100110.7D1344 F1364D1344-E1362 WeakPolarHBondContact CB-O 3.23Å; D1344-E1362 PolarHBondContact OD1-N 2.78Å; E1362-F1364 PolarHBondContact O-N 3.42Å
1363S91.7Very high87.8Confident24 Ų2475.2 Ų75.217%0.16840%0.396CS..  trans-68.6118.7-176.2169.20000112.6T1348 E1351 L1365T1348-S1363 WeakPolarHBondContact OG1-CA 3.31Å; E1351-S1363 WeakPolarHBondContact OE2-CB 3.11Å; E1351-S1363 PolarHBondContact OE2-OG 3.28Å; S1363-L1365 VanDerWaalsContact C-N 3.27Å; S1363-L1365 PolarHBondContact O-N 2.99Å; S1363-L1365 VanDerWaalsContact OG-CB 3.31Å; S1363-L1365 WeakPolarHBondContact OG-CB 3.49Å; S1363-L1365 PolarHBondContact OG-N 3.08Å
1364F91.2Very high87.5Confident17 Ų1777.1 Ų77.18%0.07541%0.409CS..G310 helixtrans-83.9417255.1-98.1000113.2M1301 L1324 V1326 L1337 D1344 T1348 E1362 K1366 L1367 L1368M1301-F1364 HydrophobicContact CE-CE2 4.28Å; M1301-F1364 HydrophobicContact CE-CZ 4.26Å; M1301-F1364 HydrophobicContact SD-CZ 4.16Å; L1324-F1364 HydrophobicContact CD2-CE1 3.82Å; L1324-F1364 HydrophobicContact CD2-CE2 4.17Å; L1324-F1364 HydrophobicContact CD2-CZ 3.52Å; V1326-F1364 HydrophobicContact CG1-CE2 4.49Å; V1326-F1364 HydrophobicContact CG2-CE2 4.01Å; V1326-F1364 HydrophobicContact CG2-CZ 4.46Å; L1337-F1364 HydrophobicContact CD1-CD2 3.92Å; L1337-F1364 HydrophobicContact CD1-CE2 4.33Å; L1337-F1364 HydrophobicContact CD1-CG 4.36Å; D1344-F1364 HydrophobicContact CB-CD1 3.94Å; D1344-F1364 HydrophobicContact CB-CE1 4Å; T1348-F1364 HydrophobicContact CG2-CD2 3.94Å; T1348-F1364 HydrophobicContact CG2-CE1 4.43Å; T1348-F1364 HydrophobicContact CG2-CE2 3.64Å; T1348-F1364 HydrophobicContact CG2-CG 4.44Å; T1348-F1364 HydrophobicContact CG2-CZ 3.89Å; T1348-F1364 VanDerWaalsContact OG1-CD1 3.22Å; T1348-F1364 WeakPolarHBondContact OG1-CD1 3.5Å; T1348-F1364 VanDerWaalsContact OG1-CE1 3.24Å; T1348-F1364 WeakPolarHBondContact OG1-CE1 3.37Å; T1348-F1364 WeakPolarHBondContact OG1-CG 3.3Å; T1348-F1364 PolarHBondContact OG1-N 2.79Å; T1348-F1364 VanDerWaalsContact OG1-N 3.07Å; E1362-F1364 PolarHBondContact O-N 3.42Å; F1364-K1366 PolarHBondContact O-N 3.29Å; F1364-L1367 HydrophobicContact CB-CD1 4.28Å; F1364-L1367 WeakPolarHBondContact O-CB 3.15Å; F1364-L1367 PolarHBondContact O-N 2.7Å; F1364-L1368 HydrophobicContact CD2-CD1 3.95Å; F1364-L1368 HydrophobicContact CD2-CD2 4.44Å; F1364-L1368 HydrophobicContact CD2-CG 4.26Å; F1364-L1368 HydrophobicContact CE2-CD1 4.06Å
1365L88.6Confident87.2Confident4 Ų471.9 Ų71.92%0.02138%0.381CS..G310 helixtrans-55.5-28.6-177.2-170.561.4000113.8L1299 T1348 E1351 N1352 S1363 L1367 L1368 K1369L1299-L1365 HydrophobicContact CD2-CD1 4.23Å; T1348-L1365 HydrophobicContact CG2-CB 3.95Å; T1348-L1365 HydrophobicContact CG2-CD1 4.28Å; E1351-L1365 HydrophobicContact CB-CD2 3.86Å; E1351-L1365 HydrophobicContact CG-CD2 3.84Å; N1352-L1365 HydrophobicContact CB-CD1 4.34Å; N1352-L1365 HydrophobicContact CB-CD2 3.86Å; S1363-L1365 VanDerWaalsContact C-N 3.27Å; S1363-L1365 PolarHBondContact O-N 2.99Å; S1363-L1365 VanDerWaalsContact OG-CB 3.31Å; S1363-L1365 WeakPolarHBondContact OG-CB 3.49Å; S1363-L1365 PolarHBondContact OG-N 3.08Å; L1365-L1367 VanDerWaalsContact C-N 3.27Å; L1365-L1367 PolarHBondContact O-N 2.81Å; L1365-L1368 HydrophobicContact CD1-CD1 4.25Å; L1365-L1368 PolarHBondContact O-N 3.24Å; L1365-K1369 VanDerWaalsContact CD2-NZ 3.3Å; L1365-K1369 HydrophobicContact CG-CD 4.4Å; L1365-K1369 WeakPolarHBondContact O-CG 3.31Å
1366K86.3Confident86.7Confident139 Ų13976.1 Ų76.160%0.60440%0.402SS*.G310 helixtrans-75.2-12.7177.9-60179.7-172.663.40113.9E1351 F1364E1351-K1366 VanDerWaalsContact OE1-CE 3.31Å; E1351-K1366 WeakPolarHBondContact OE1-CE 3.45Å; E1351-K1366 IonicContact OE1-NZ 2.64Å; E1351-K1366 PolarHBondContact OE1-NZ 2.7Å; E1351-K1366 IonicContact OE2-NZ 2.63Å; E1351-K1366 PolarHBondContact OE2-NZ 2.77Å; F1364-K1366 PolarHBondContact O-N 3.29Å
1367L87.3Confident86.5Confident85 Ų8576.2 Ų76.245%0.44540%0.396SS..G310 helixtrans-92-11.1175.9-56178.6000112.4Y1048 L1337 P1338 F1364 L1365Y1048-L1367 WeakPolarHBondContact CE1-O 3.43Å; Y1048-L1367 VanDerWaalsContact CZ-O 3.26Å; Y1048-L1367 PolarHBondContact OH-O 3.24Å; L1337-L1367 HydrophobicContact CD2-CB 3.58Å; L1337-L1367 HydrophobicContact CD2-CD1 3.85Å; L1337-L1367 HydrophobicContact CD2-CG 4.37Å; P1338-L1367 HydrophobicContact CG-CD1 3.93Å; F1364-L1367 HydrophobicContact CB-CD1 4.28Å; F1364-L1367 WeakPolarHBondContact O-CB 3.15Å; F1364-L1367 PolarHBondContact O-N 2.7Å; L1365-L1367 VanDerWaalsContact C-N 3.27Å; L1365-L1367 PolarHBondContact O-N 2.81Å
1368L83.6Confident86.4Confident11 Ų1176.9 Ų76.96%0.05838%0.382CS..  trans-97.63.7-179-53.2177.6000113.6Y1048 L1299 V1326 M1331 L1337 F1364 L1365Y1048-L1368 HydrophobicContact CD1-CD2 4.16Å; Y1048-L1368 HydrophobicContact CD2-CD2 3.52Å; Y1048-L1368 HydrophobicContact CE2-CD2 4.01Å; Y1048-L1368 HydrophobicContact CG-CD2 3.59Å; L1299-L1368 HydrophobicContact CD1-CD1 4.31Å; V1326-L1368 HydrophobicContact CG1-CD1 3.83Å; V1326-L1368 HydrophobicContact CG1-CD2 4.21Å; M1331-L1368 HydrophobicContact CE-CB 4.25Å; M1331-L1368 HydrophobicContact CE-CD1 4.19Å; M1331-L1368 HydrophobicContact CE-CD2 4.23Å; M1331-L1368 HydrophobicContact CE-CG 4.47Å; L1337-L1368 HydrophobicContact CD1-CD2 4.2Å; L1337-L1368 HydrophobicContact CD2-CD2 4.2Å; F1364-L1368 HydrophobicContact CD2-CD1 3.95Å; F1364-L1368 HydrophobicContact CD2-CD2 4.44Å; F1364-L1368 HydrophobicContact CD2-CG 4.26Å; F1364-L1368 HydrophobicContact CE2-CD1 4.06Å; L1365-L1368 HydrophobicContact CD1-CD1 4.25Å; L1365-L1368 PolarHBondContact O-N 3.24Å
1369K70.5Confident86.3Confident184 Ų18481.8 Ų81.880%0.840%0.404SS*.  trans-126.10-164.9-75.3177.5176.3172.70112.9L1365L1365-K1369 VanDerWaalsContact CD2-NZ 3.3Å; L1365-K1369 HydrophobicContact CG-CD 4.4Å; L1365-K1369 WeakPolarHBondContact O-CG 3.31Å

Retrieved 1,369 of 1,369 residues in 2115.7 ms (Link to these results)

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