A0A077Z4L8_TRITR Loading...

RNA helicase

AlphaFold DB , UniProt , Accession A0A077Z4L8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,195 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
1M50.2Low82.8Confident148 Ų14860.2 Ų60.273%0.72933%0.332SS*.  0-78.90-81.7-156.2-170.900113.5E3 V4 T59M1-E3 PolarHBondContact O-N 2.99Å; M1-V4 PolarHBondContact O-N 2.76Å; M1-T59 HydrophobicContact CB-CG2 4.23Å
2A63.4Low83.4Confident77 Ų7755.2 Ų55.264%0.63631%0.305SS*.Hα-helixtrans-55.3-30.2-165.400000115.4V4 K5 A6A2-V4 VanDerWaalsContact C-N 3.28Å; A2-V4 PolarHBondContact O-N 3Å; A2-K5 PolarHBondContact O-N 3.2Å; A2-A6 PolarHBondContact O-N 3.28Å
3E77.8Confident83.8Confident99 Ų9956.2 Ų56.246%0.46333%0.325SS..Hα-helixtrans-57.9-34.2176.1-64.9171.1115.700113.6M1 K5 A6 I7 I84M1-E3 PolarHBondContact O-N 2.99Å; E3-K5 VanDerWaalsContact C-N 3.28Å; E3-K5 PolarHBondContact O-N 2.67Å; E3-A6 CarbonylContact O-C 3.58Å; E3-A6 WeakPolarHBondContact O-CA 3.45Å; E3-A6 WeakPolarHBondContact O-CB 3.07Å; E3-A6 PolarHBondContact O-N 3.28Å; E3-I7 WeakPolarHBondContact O-CG1 3.44Å; E3-I7 PolarHBondContact O-N 2.79Å; E3-I84 HydrophobicContact CB-CD1 4.03Å; E3-I84 WeakPolarHBondContact OE2-CD1 3.39Å
4V85.4Confident84.3Confident1 Ų163.6 Ų63.61%0.00635%0.352CS..Hα-helixtrans-60.8-40.5-179.7-179.90000111M1 A2 I7 L8 R63 C66 F80 I84M1-V4 PolarHBondContact O-N 2.76Å; A2-V4 VanDerWaalsContact C-N 3.28Å; A2-V4 PolarHBondContact O-N 3Å; V4-I7 PolarHBondContact O-N 2.83Å; V4-L8 PolarHBondContact O-N 2.97Å; V4-L8 VanDerWaalsContact O-N 3.09Å; V4-R63 HydrophobicContact CG1-CB 4.1Å; V4-C66 HydrophobicContact CG1-CB 4.32Å; V4-F80 HydrophobicContact CG1-CE1 4.37Å; V4-I84 HydrophobicContact CG2-CD1 4.32Å; V4-I84 HydrophobicContact CG2-CG2 3.91Å
5K88.3Confident84.8Confident52 Ų5266.9 Ų66.923%0.22636%0.357CS..Hα-helixtrans-66.8-36.8173.9-177.9167.4179.2171.70111.7A2 E3 N9 Y21 M58 A62A2-K5 PolarHBondContact O-N 3.2Å; E3-K5 VanDerWaalsContact C-N 3.28Å; E3-K5 PolarHBondContact O-N 2.67Å; K5-N9 PolarHBondContact O-N 2.57Å; K5-N9 VanDerWaalsContact O-N 3.16Å; K5-N9 PolarHBondContact O-ND2 3.47Å; K5-Y21 HydrophobicContact CD-CE1 4.44Å; K5-M58 HydrophobicContact CD-CB 4.44Å; K5-M58 PolarHBondContact NZ-SD 2.88Å; K5-A62 HydrophobicContact CB-CB 4.02Å; K5-A62 HydrophobicContact CG-CB 4.32Å
6A88Confident85.1Confident60 Ų6070.3 Ų70.350%0.49639%0.387SS..Hα-helixtrans-66.6-44.6176.400000112A2 E3 L8 N9 Q10A2-A6 PolarHBondContact O-N 3.28Å; E3-A6 CarbonylContact O-C 3.58Å; E3-A6 WeakPolarHBondContact O-CA 3.45Å; E3-A6 WeakPolarHBondContact O-CB 3.07Å; E3-A6 PolarHBondContact O-N 3.28Å; A6-L8 PolarHBondContact O-N 2.62Å; A6-N9 PolarHBondContact O-N 3.05Å; A6-Q10 WeakPolarHBondContact O-CB 3.38Å; A6-Q10 PolarHBondContact O-N 3.25Å
7I90.1Very high85.4Confident25 Ų2567.8 Ų67.813%0.12837%0.372CS..Hα-helixtrans-58.6-48.4177-67.6163.8000110.5E3 V4 N9 Q10 W11 M75 F80E3-I7 WeakPolarHBondContact O-CG1 3.44Å; E3-I7 PolarHBondContact O-N 2.79Å; V4-I7 PolarHBondContact O-N 2.83Å; I7-N9 PolarHBondContact O-N 2.78Å; I7-Q10 PolarHBondContact O-N 2.9Å; I7-W11 WeakPolarHBondContact O-CB 3.49Å; I7-W11 PolarHBondContact O-N 3.41Å; I7-M75 HydrophobicContact CG2-SD 4.21Å; I7-F80 HydrophobicContact CB-CE1 4.33Å; I7-F80 HydrophobicContact CD1-CD1 3.59Å; I7-F80 HydrophobicContact CD1-CE1 3.95Å; I7-F80 HydrophobicContact CD1-CG 4.38Å; I7-F80 HydrophobicContact CG2-CD1 4.4Å; I7-F80 HydrophobicContact CG2-CE1 3.88Å; I7-F80 HydrophobicContact CG2-CZ 4.02Å
8L92.3Very high85.5Confident0 Ų073.8 Ų73.80%039%0.394CS..Hα-helixtrans-61.2-43.9178.5-174.761.4000112.4V4 A6 Q10 W11 A12 L38 L40 A62 F65 L69 M75V4-L8 PolarHBondContact O-N 2.97Å; V4-L8 VanDerWaalsContact O-N 3.09Å; A6-L8 PolarHBondContact O-N 2.62Å; L8-Q10 VanDerWaalsContact C-N 3.33Å; L8-Q10 PolarHBondContact O-N 2.72Å; L8-W11 HydrophobicContact CD1-CE3 4.31Å; L8-W11 PolarHBondContact O-N 3.39Å; L8-A12 VanDerWaalsContact O-CB 3.31Å; L8-A12 WeakPolarHBondContact O-CB 3.33Å; L8-A12 PolarHBondContact O-N 3.01Å; L8-L38 HydrophobicContact CD2-CD2 3.81Å; L8-L40 HydrophobicContact CD1-CD1 4.17Å; L8-A62 HydrophobicContact CD2-CB 3.94Å; L8-F65 HydrophobicContact CD1-CD1 4.42Å; L8-F65 HydrophobicContact CD2-CB 3.93Å; L8-F65 HydrophobicContact CD2-CG 4.48Å; L8-L69 HydrophobicContact CD1-CD1 3.69Å; L8-M75 HydrophobicContact CD1-CE 3.99Å
9N90.7Very high85.8Confident62 Ų6270.8 Ų70.833%0.33238%0.379SS..Hα-helixtrans-63.2-39.3176.6-81.6-84.1000111.7K5 A6 I7 A13K5-N9 PolarHBondContact O-N 2.57Å; K5-N9 VanDerWaalsContact O-N 3.16Å; K5-N9 PolarHBondContact O-ND2 3.47Å; A6-N9 PolarHBondContact O-N 3.05Å; I7-N9 PolarHBondContact O-N 2.78Å; N9-A13 VanDerWaalsContact O-CB 3.25Å; N9-A13 WeakPolarHBondContact O-CB 3.08Å; N9-A13 PolarHBondContact O-N 3.18Å
10Q91.2Very high86.1Confident132 Ų13273.9 Ų73.962%0.61739%0.391SS*.Hα-helixtrans-72.1-36.1178.6-160.9-178.559.700112.5A6 I7 L8 K14A6-Q10 WeakPolarHBondContact O-CB 3.38Å; A6-Q10 PolarHBondContact O-N 3.25Å; I7-Q10 PolarHBondContact O-N 2.9Å; L8-Q10 VanDerWaalsContact C-N 3.33Å; L8-Q10 PolarHBondContact O-N 2.72Å; Q10-K14 WeakPolarHBondContact O-CG 3.1Å; Q10-K14 PolarHBondContact O-N 3.27Å
11W93.1Very high86.4Confident6 Ų672.5 Ų72.52%0.02338%0.381CS..Hα-helixtrans-65.9-40.2173.2175.9102.8000112.1I7 L8 R15 L40 F43 L69 N74 M75I7-W11 WeakPolarHBondContact O-CB 3.49Å; I7-W11 PolarHBondContact O-N 3.41Å; L8-W11 HydrophobicContact CD1-CE3 4.31Å; L8-W11 PolarHBondContact O-N 3.39Å; W11-R15 VanDerWaalsContact CZ2-NH1 3.29Å; W11-L40 HydrophobicContact CZ3-CD1 4.38Å; W11-F43 AromaticContact CH2-CE2 3.87Å; W11-F43 HydrophobicContact CH2-CE2 3.87Å; W11-F43 AromaticContact CH2-CZ 3.79Å; W11-F43 HydrophobicContact CH2-CZ 3.79Å; W11-F43 HydrophobicContact CZ3-CE2 4.39Å; W11-L69 HydrophobicContact CD2-CD1 4.19Å; W11-L69 HydrophobicContact CE3-CD1 3.9Å; W11-L69 HydrophobicContact CH2-CD1 3.56Å; W11-L69 HydrophobicContact CH2-CD2 3.52Å; W11-L69 HydrophobicContact CH2-CG 4.19Å; W11-L69 HydrophobicContact CZ2-CD1 3.8Å; W11-L69 HydrophobicContact CZ2-CD2 3.77Å; W11-L69 HydrophobicContact CZ2-CG 4.31Å; W11-L69 HydrophobicContact CZ3-CD1 3.6Å; W11-L69 HydrophobicContact CZ3-CD2 4.31Å; W11-N74 HydrophobicContact CZ2-CB 4.11Å; W11-N74 WeakPolarHBondContact CZ2-O 3.38Å; W11-N74 PolarHBondContact NE1-O 3Å; W11-M75 HydrophobicContact CB-CE 4.21Å; W11-M75 HydrophobicContact CD2-CE 3.86Å; W11-M75 HydrophobicContact CE3-CE 4.5Å; W11-M75 HydrophobicContact CG-CE 3.72Å; W11-M75 HydrophobicContact CG-CG 4.47Å; W11-M75 HydrophobicContact CG-SD 4.37Å
12A90.9Very high88.2Confident0 Ų068.4 Ų68.40%036%0.362CS..Hα-helixtrans-71.8-44.4178.200000111.4L8 K14 R15 S16 I17 P19 L40L8-A12 VanDerWaalsContact O-CB 3.31Å; L8-A12 WeakPolarHBondContact O-CB 3.33Å; L8-A12 PolarHBondContact O-N 3.01Å; A12-K14 VanDerWaalsContact C-N 3.29Å; A12-K14 PolarHBondContact O-N 2.9Å; A12-R15 CarbonylContact O-C 3.59Å; A12-R15 WeakPolarHBondContact O-CA 3.38Å; A12-R15 PolarHBondContact O-N 2.96Å; A12-S16 PolarHBondContact O-N 2.87Å; A12-I17 CarbonylContact C-O 3.3Å; A12-I17 HydrophobicContact CB-CB 4.47Å; A12-I17 WeakPolarHBondContact CB-O 3.47Å; A12-I17 PolarHBondContact O-N 3.34Å; A12-P19 HydrophobicContact CB-CG 4.06Å; A12-L40 HydrophobicContact CB-CD2 3.85Å
13A88.8Confident89.3Confident69 Ų6967.5 Ų67.557%0.5735%0.346SS*.Hα-helixtrans-58-38.7175.800000112.6N9 R15 S16N9-A13 VanDerWaalsContact O-CB 3.25Å; N9-A13 WeakPolarHBondContact O-CB 3.08Å; N9-A13 PolarHBondContact O-N 3.18Å; A13-R15 PolarHBondContact O-N 3Å; A13-R15 VanDerWaalsContact O-N 3.14Å; A13-S16 PolarHBondContact O-N 3.35Å
14K90.6Very high89.1Confident160 Ų16064.3 Ų64.370%0.69633%0.329SS*.THydrogen-bonded Turntrans-61.3-17173.3-81.3-179.5177.1178.50114.5Q10 A12Q10-K14 WeakPolarHBondContact O-CG 3.1Å; Q10-K14 PolarHBondContact O-N 3.27Å; A12-K14 VanDerWaalsContact C-N 3.29Å; A12-K14 PolarHBondContact O-N 2.9Å
15R91.2Very high88.3Confident113 Ų11366.4 Ų66.443%0.42635%0.347SS..THydrogen-bonded Turntrans-107.86.9174.7-69.9-177.7173.382.2-17.5113.4W11 A12 A13 I17 N74W11-R15 VanDerWaalsContact CZ2-NH1 3.29Å; A12-R15 CarbonylContact O-C 3.59Å; A12-R15 WeakPolarHBondContact O-CA 3.38Å; A12-R15 PolarHBondContact O-N 2.96Å; A13-R15 PolarHBondContact O-N 3Å; A13-R15 VanDerWaalsContact O-N 3.14Å; R15-I17 HydrophobicContact CB-CD1 3.81Å; R15-I17 HydrophobicContact CB-CG1 3.75Å; R15-I17 PolarHBondContact O-N 3.49Å; R15-N74 PolarHBondContact NH2-O 3.23Å
16S90Very high86.8Confident121 Ų12164.7 Ų64.785%0.84634%0.341SS*.THydrogen-bonded Turntrans59.421.4-170.4-50.20000114.8A12 A13A12-S16 PolarHBondContact O-N 2.87Å; A13-S16 PolarHBondContact O-N 3.35Å
17I89.7Confident85Confident27 Ų2764.9 Ų64.914%0.13833%0.333CS..  trans-96138.8176.9-43.9175.1000108.3A12 R15 L40 T41 F43A12-I17 CarbonylContact C-O 3.3Å; A12-I17 HydrophobicContact CB-CB 4.47Å; A12-I17 WeakPolarHBondContact CB-O 3.47Å; A12-I17 PolarHBondContact O-N 3.34Å; R15-I17 HydrophobicContact CB-CD1 3.81Å; R15-I17 HydrophobicContact CB-CG1 3.75Å; R15-I17 PolarHBondContact O-N 3.49Å; I17-L40 HydrophobicContact CB-CD2 4.13Å; I17-L40 HydrophobicContact CG2-CB 4.28Å; I17-L40 HydrophobicContact CG2-CD2 3.46Å; I17-L40 VanDerWaalsContact CG2-CD2 3.46Å; I17-T41 WeakPolarHBondContact CG2-O 3.11Å; I17-T41 WeakPolarHBondContact CG2-OG1 3.46Å; I17-F43 HydrophobicContact CD1-CE2 4.21Å
18K87.8Confident83.2Confident176 Ų17664.1 Ų64.177%0.76533%0.331SS*.  trans-113.6117.2179.5-163.2176.7-174.4-178.40109.6Q20K18-Q20 PolarHBondContact O-N 2.62Å
19P91Very high80.8Confident17 Ų1769.6 Ų69.611%0.1136%0.361CS..  trans-68.9131.4178.4-1.511.6000111A12 Y21 L38 T39 L40A12-P19 HydrophobicContact CB-CG 4.06Å; P19-Y21 HydrophobicContact CB-CE2 3.96Å; P19-L38 HydrophobicContact CB-CD1 3.67Å; P19-T39 WeakPolarHBondContact CA-O 3.37Å; P19-L40 HydrophobicContact CB-CD2 3.77Å; P19-L40 HydrophobicContact CB-CG 4.05Å; P19-L40 HydrophobicContact CG-CD2 3.85Å
20Q92.5Very high79Confident132 Ų13272.3 Ų72.362%0.61738%0.375SS*.EExtended strand (participates in β ladder)trans-97.3125.3170.2-73.2-174.4-78.700109.6K18 L38 T39K18-Q20 PolarHBondContact O-N 2.62Å; Q20-L38 WeakPolarHBondContact O-CA 3.41Å; Q20-L38 VanDerWaalsContact O-CD1 3.24Å; Q20-L38 WeakPolarHBondContact O-CD1 3.44Å; Q20-T39 PolarHBondContact N-O 2.79Å; Q20-T39 PolarHBondContact O-N 3.47Å
21Y92.3Very high77.4Confident45 Ų4567.3 Ų67.318%0.17636%0.359CS..EExtended strand (participates in β ladder)trans-106.4111.8172.5-65.4-97000107.8K5 P19 D37 L38 M58K5-Y21 HydrophobicContact CD-CE1 4.44Å; P19-Y21 HydrophobicContact CB-CE2 3.96Å; Y21-D37 WeakPolarHBondContact CA-O 3.11Å; Y21-L38 HydrophobicContact CD1-CB 4.31Å; Y21-L38 HydrophobicContact CD1-CD1 3.81Å; Y21-L38 HydrophobicContact CD1-CD2 4.32Å; Y21-L38 HydrophobicContact CD1-CG 4.37Å; Y21-L38 HydrophobicContact CD2-CD1 3.98Å; Y21-L38 HydrophobicContact CE1-CB 4.44Å; Y21-L38 HydrophobicContact CE1-CD1 3.67Å; Y21-L38 HydrophobicContact CE1-CD2 3.64Å; Y21-L38 HydrophobicContact CE1-CG 4.12Å; Y21-L38 HydrophobicContact CE2-CD1 3.85Å; Y21-L38 HydrophobicContact CG-CD1 3.95Å; Y21-M58 HydrophobicContact CD1-CB 4.22Å; Y21-M58 HydrophobicContact CD1-CE 4.38Å; Y21-M58 HydrophobicContact CD1-CG 3.93Å; Y21-M58 HydrophobicContact CE1-CB 4.39Å; Y21-M58 WeakPolarHBondContact CE1-O 3.45Å; Y21-M58 HydrophobicContact CG-CE 3.97Å; Y21-M58 HydrophobicContact CG-CG 4.45Å
22D88.3Confident75.9Confident63 Ų6368.9 Ų68.934%0.33737%0.367SS..EExtended strand (participates in β ladder)trans-105.1122.5177.5-172.631.6000109D37 R298D22-D37 HydrophobicContact CB-CB 4.44Å; D22-D37 PolarHBondContact N-O 3.17Å; D22-D37 PolarHBondContact O-N 3.34Å; D22-R298 IonicContact OD2-CZ 2.78Å; D22-R298 IonicContact OD2-NH1 3.19Å; D22-R298 PolarHBondContact OD2-NH1 3.41Å; D22-R298 IonicContact OD2-NH2 3.73Å; D22-R298 PolarHBondContact OD2-NH2 2.87Å
23M84.8Confident75.1Confident58 Ų5869.3 Ų69.329%0.28637%0.369SS..EExtended strand (participates in β ladder)trans-125.4126.6-162.8-146.6-159.3-49.700112.9F34 H35 C36 K54 M58M23-F34 HydrophobicContact SD-CB 4.34Å; M23-F34 HydrophobicContact SD-CD1 4.41Å; M23-H35 WeakPolarHBondContact CA-O 3.37Å; M23-H35 WeakPolarHBondContact CG-O 3.39Å; M23-C36 HydrophobicContact CG-CB 4.08Å; M23-K54 HydrophobicContact CE-CB 4.04Å; M23-K54 HydrophobicContact CE-CD 4.21Å; M23-K54 HydrophobicContact CE-CG 4.21Å; M23-K54 HydrophobicContact SD-CB 3.72Å; M23-K54 HydrophobicContact SD-CD 3.96Å; M23-K54 HydrophobicContact SD-CG 3.52Å; M23-K54 VanDerWaalsContact SD-CG 3.52Å; M23-M58 HydrophobicContact CE-CE 3.55Å; M23-M58 HydrophobicContact CE-CG 3.85Å; M23-M58 HydrophobicContact CE-SD 3.72Å
24R74.1Confident74.7Confident31 Ų3167 Ų6712%0.11735%0.347CS..EExtended strand (participates in β ladder)trans-118.9148.1-175.3-54.7-172.2-93.1144.9-3.2108.6H35 D37 N468R24-H35 HydrophobicContact CB-CB 4.29Å; R24-H35 PolarHBondContact N-O 2.71Å; R24-H35 PolarHBondContact O-N 2.63Å; R24-D37 IonicContact CZ-OD2 2.73Å; R24-D37 VanDerWaalsContact CZ-OD2 3.27Å; R24-D37 IonicContact NE-OD2 3.96Å; R24-D37 PolarHBondContact NE-OD2 3.33Å; R24-D37 VanDerWaalsContact NH2-CG 3.34Å; R24-D37 IonicContact NH2-OD1 2.68Å; R24-D37 PolarHBondContact NH2-OD1 3.35Å; R24-D37 IonicContact NH2-OD2 2.7Å; R24-D37 PolarHBondContact NH2-OD2 2.91Å; R24-N468 PolarHBondContact NH1-O 3.18Å
25A68.7Low74.3Confident45 Ų4559.7 Ų59.737%0.37232%0.315SS..EExtended strand (participates in β ladder)trans-110.3127.7172.500000108L32 F34A25-L32 HydrophobicContact CB-CD1 4.38Å; A25-F34 HydrophobicContact CB-CD1 4.12Å; A25-F34 HydrophobicContact CB-CE1 4.11Å
26V56.3Low74.1Confident17 Ų1754.3 Ų54.310%0.10330%0.295CS..EExtended strand (participates in β ladder)trans-131.1137.3-170.2172.30000109.9Q33 H35 N468V26-Q33 PolarHBondContact N-O 2.8Å; V26-Q33 PolarHBondContact O-N 3.17Å; V26-H35 HydrophobicContact CG2-CB 4.31Å; V26-N468 WeakPolarHBondContact CG1-OD1 3.47Å; V26-N468 WeakPolarHBondContact CG2-OD1 3.39Å
27L50.2Low74.1Confident63 Ų6349.1 Ų49.133%0.3326%0.257SS..EExtended strand (participates in β ladder)trans-95.8103.6-178-145.466.8000108.9L32 N974 F975L27-L32 HydrophobicContact CD1-CD1 3.97Å; L27-N974 WeakPolarHBondContact CD1-O 3.37Å; L27-N974 VanDerWaalsContact CD2-O 3.31Å; L27-N974 WeakPolarHBondContact CD2-O 3.17Å; L27-N974 WeakPolarHBondContact CG-O 3.45Å; L27-F975 HydrophobicContact CD2-CD1 3.45Å; L27-F975 VanDerWaalsContact CD2-CD1 3.45Å; L27-F975 HydrophobicContact CD2-CE1 3.6Å; L27-F975 HydrophobicContact CD2-CG 4.12Å; L27-F975 HydrophobicContact CD2-CZ 4.39Å
28G53.7Low74.2Confident9 Ų947.9 Ų47.99%0.09325%0.251CS..EExtended strand (participates in β ladder)trans-106.9174.5-178.800000113N30 G31G28-N30 PolarHBondContact O-N 2.76Å; G28-G31 PolarHBondContact N-O 2.65Å; G28-G31 PolarHBondContact O-N 3.12Å
29D41.8Very low74.4Confident116 Ų11641.9 Ų41.962%0.6223%0.229SC*.THydrogen-bonded Turntrans-63.4-5.9-179.7-54.4-54.4000115.1
30N51.3Low74.4Confident119 Ų11941.3 Ų41.364%0.63623%0.225SC*.THydrogen-bonded Turntrans-11417.1175.9-61.64.9000111.9G28G28-N30 PolarHBondContact O-N 2.76Å
31G58.7Low73.9Confident26 Ų2639.9 Ų39.927%0.26823%0.226SC..EExtended strand (participates in β ladder)trans93.7-161.9-17500000114.3G28 Q33G28-G31 PolarHBondContact N-O 2.65Å; G28-G31 PolarHBondContact O-N 3.12Å; G31-Q33 PolarHBondContact O-N 2.76Å
32L60.6Low73.4Confident39 Ų3941.5 Ų41.520%0.20426%0.256CS..EExtended strand (participates in β ladder)trans-67.8125.3-177.7-169.678.2000111.7A25 L27 F34 E1139A25-L32 HydrophobicContact CB-CD1 4.38Å; L27-L32 HydrophobicContact CD1-CD1 3.97Å; L32-F34 HydrophobicContact CD2-CE1 4.38Å; L32-F34 HydrophobicContact CD2-CE2 4.05Å; L32-F34 HydrophobicContact CD2-CZ 3.73Å; L32-E1139 HydrophobicContact CD2-CB 4.38Å
33Q74.4Confident73.3Confident10 Ų1040.6 Ų40.65%0.04725%0.249CC..EExtended strand (participates in β ladder)trans-125.1132.7172.4-66.3-175.3-69.100110.4V26 G31 T52V26-Q33 PolarHBondContact N-O 2.8Å; V26-Q33 PolarHBondContact O-N 3.17Å; G31-Q33 PolarHBondContact O-N 2.76Å; Q33-T52 HydrophobicContact CG-CG2 4.32Å
34F80.5Confident72.9Confident21 Ų2146.2 Ų46.29%0.09228%0.28CS..EExtended strand (participates in β ladder)trans-83.7123.4170.6-62.2-79.5000109.1M23 A25 L32 C50 S51 T52 K54 A57M23-F34 HydrophobicContact SD-CB 4.34Å; M23-F34 HydrophobicContact SD-CD1 4.41Å; A25-F34 HydrophobicContact CB-CD1 4.12Å; A25-F34 HydrophobicContact CB-CE1 4.11Å; L32-F34 HydrophobicContact CD2-CE1 4.38Å; L32-F34 HydrophobicContact CD2-CE2 4.05Å; L32-F34 HydrophobicContact CD2-CZ 3.73Å; F34-C50 WeakPolarHBondContact O-CA 3.44Å; F34-S51 PolarHBondContact N-O 3.47Å; F34-S51 PolarHBondContact O-N 2.83Å; F34-T52 WeakPolarHBondContact CE2-O 3.27Å; F34-K54 HydrophobicContact CB-CG 4.45Å; F34-K54 HydrophobicContact CD1-CD 4.38Å; F34-K54 HydrophobicContact CD1-CG 3.43Å; F34-K54 VanDerWaalsContact CD1-CG 3.43Å; F34-K54 HydrophobicContact CD2-CG 4.05Å; F34-K54 VanDerWaalsContact CD2-N 3.32Å; F34-K54 HydrophobicContact CE1-CD 4.22Å; F34-K54 HydrophobicContact CE1-CG 3.55Å; F34-K54 HydrophobicContact CE2-CG 4.15Å; F34-K54 HydrophobicContact CG-CB 4.39Å; F34-K54 HydrophobicContact CG-CG 3.69Å; F34-K54 HydrophobicContact CZ-CG 3.91Å; F34-A57 HydrophobicContact CB-CB 4.05Å; F34-A57 WeakPolarHBondContact O-CB 3.41Å
35H83.4Confident73.4Confident6 Ų646.3 Ų46.33%0.02828%0.282CS..EExtended strand (participates in β ladder)trans-103.3125.1177.8-72.3-154000107.4M23 R24 V26 Y48 G49 G311M23-H35 WeakPolarHBondContact CA-O 3.37Å; M23-H35 WeakPolarHBondContact CG-O 3.39Å; R24-H35 HydrophobicContact CB-CB 4.29Å; R24-H35 PolarHBondContact N-O 2.71Å; R24-H35 PolarHBondContact O-N 2.63Å; V26-H35 HydrophobicContact CG2-CB 4.31Å; H35-Y48 HydrophobicContact CB-CE2 3.96Å; H35-Y48 PolarHBondContact CD2-OH 3.32Å; H35-Y48 VanDerWaalsContact CD2-OH 3.3Å; H35-Y48 PolarHBondContact CE1-OH 3.39Å; H35-Y48 PolarHBondContact ND1-OH 3.11Å; H35-Y48 PolarHBondContact NE2-OH 3.25Å; H35-G49 CarbonylContact C-O 3.55Å; H35-G311 PolarHBondContact CE1-O 3.14Å; H35-G311 VanDerWaalsContact CE1-O 3.23Å
36C87.1Confident74.1Confident0 Ų047 Ų470%028%0.282CS..EExtended strand (participates in β ladder)trans-124.4109.9-177.2-171.40000110M23 Y48 G49 A57 A61M23-C36 HydrophobicContact CG-CB 4.08Å; C36-Y48 CarbonylContact O-C 3.59Å; C36-Y48 WeakPolarHBondContact O-CA 3.42Å; C36-G49 PolarHBondContact N-O 2.9Å; C36-G49 PolarHBondContact O-N 2.88Å; C36-A57 HydrophobicContact CB-CB 4.13Å; C36-A61 HydrophobicContact CB-CB 4.33Å
37D88.7Confident75.4Confident12 Ų1246.2 Ų46.26%0.06428%0.277CS..EExtended strand (participates in β ladder)trans-79.8141.4166.5-53-50.1000108.2Y21 D22 R24 V46 R298Y21-D37 WeakPolarHBondContact CA-O 3.11Å; D22-D37 HydrophobicContact CB-CB 4.44Å; D22-D37 PolarHBondContact N-O 3.17Å; D22-D37 PolarHBondContact O-N 3.34Å; R24-D37 IonicContact CZ-OD2 2.73Å; R24-D37 VanDerWaalsContact CZ-OD2 3.27Å; R24-D37 IonicContact NE-OD2 3.96Å; R24-D37 PolarHBondContact NE-OD2 3.33Å; R24-D37 VanDerWaalsContact NH2-CG 3.34Å; R24-D37 IonicContact NH2-OD1 2.68Å; R24-D37 PolarHBondContact NH2-OD1 3.35Å; R24-D37 IonicContact NH2-OD2 2.7Å; R24-D37 PolarHBondContact NH2-OD2 2.91Å; D37-V46 HydrophobicContact CB-CG1 4.08Å; D37-R298 IonicContact OD2-NH1 3.11Å; D37-R298 PolarHBondContact OD2-NH1 3.17Å
38L92Very high76.9Confident0 Ų043.5 Ų43.50%026%0.262CS..EExtended strand (participates in β ladder)trans-133.5125.9177169.661.8000111L8 P19 Q20 Y21 S47 A61 A62 F65L8-L38 HydrophobicContact CD2-CD2 3.81Å; P19-L38 HydrophobicContact CB-CD1 3.67Å; Q20-L38 WeakPolarHBondContact O-CA 3.41Å; Q20-L38 VanDerWaalsContact O-CD1 3.24Å; Q20-L38 WeakPolarHBondContact O-CD1 3.44Å; Y21-L38 HydrophobicContact CD1-CB 4.31Å; Y21-L38 HydrophobicContact CD1-CD1 3.81Å; Y21-L38 HydrophobicContact CD1-CD2 4.32Å; Y21-L38 HydrophobicContact CD1-CG 4.37Å; Y21-L38 HydrophobicContact CD2-CD1 3.98Å; Y21-L38 HydrophobicContact CE1-CB 4.44Å; Y21-L38 HydrophobicContact CE1-CD1 3.67Å; Y21-L38 HydrophobicContact CE1-CD2 3.64Å; Y21-L38 HydrophobicContact CE1-CG 4.12Å; Y21-L38 HydrophobicContact CE2-CD1 3.85Å; Y21-L38 HydrophobicContact CG-CD1 3.95Å; L38-S47 WeakPolarHBondContact CB-OG 3.48Å; L38-S47 PolarHBondContact N-O 3.15Å; L38-S47 PolarHBondContact O-N 3.44Å; L38-A61 HydrophobicContact CB-CB 3.91Å; L38-A61 HydrophobicContact CD2-CB 4.24Å; L38-A62 HydrophobicContact CD2-CB 4.36Å; L38-F65 HydrophobicContact CD2-CB 4.06Å; L38-F65 HydrophobicContact CD2-CD2 4.26Å; L38-F65 HydrophobicContact CD2-CG 4.47Å; L38-F65 HydrophobicContact CG-CD2 4.04Å
39T91.3Very high78.4Confident51 Ų5143 Ų4331%0.31326%0.258SS..EExtended strand (participates in β ladder)trans-126.7152.6-179.6580000112.4P19 Q20 V46P19-T39 WeakPolarHBondContact CA-O 3.37Å; Q20-T39 PolarHBondContact N-O 2.79Å; Q20-T39 PolarHBondContact O-N 3.47Å; T39-V46 HydrophobicContact CG2-CB 4.3Å; T39-V46 HydrophobicContact CG2-CG1 3.93Å; T39-V46 HydrophobicContact CG2-CG2 3.91Å
40L91Very high80.3Confident4 Ų438 Ų382%0.02123%0.232CC..  trans-136.1123.2176-86.8161.8000108.6L8 W11 A12 I17 P19 G42 F43 F65L8-L40 HydrophobicContact CD1-CD1 4.17Å; W11-L40 HydrophobicContact CZ3-CD1 4.38Å; A12-L40 HydrophobicContact CB-CD2 3.85Å; I17-L40 HydrophobicContact CB-CD2 4.13Å; I17-L40 HydrophobicContact CG2-CB 4.28Å; I17-L40 HydrophobicContact CG2-CD2 3.46Å; I17-L40 VanDerWaalsContact CG2-CD2 3.46Å; P19-L40 HydrophobicContact CB-CD2 3.77Å; P19-L40 HydrophobicContact CB-CG 4.05Å; P19-L40 HydrophobicContact CG-CD2 3.85Å; L40-G42 PolarHBondContact O-N 2.86Å; L40-F43 HydrophobicContact CB-CD2 4.16Å; L40-F43 PolarHBondContact O-N 3.39Å; L40-F43 VanDerWaalsContact O-N 3.11Å; L40-F65 HydrophobicContact CB-CE1 4.36Å; L40-F65 HydrophobicContact CB-CE2 4.28Å; L40-F65 HydrophobicContact CB-CZ 3.83Å; L40-F65 HydrophobicContact CD1-CD1 3.82Å; L40-F65 HydrophobicContact CD1-CD2 4.43Å; L40-F65 HydrophobicContact CD1-CE1 3.55Å; L40-F65 HydrophobicContact CD1-CE2 4.19Å; L40-F65 HydrophobicContact CD1-CG 4.29Å; L40-F65 HydrophobicContact CD1-CZ 3.77Å; L40-F65 HydrophobicContact CG-CE1 4.5Å; L40-F65 HydrophobicContact CG-CZ 4.26Å
41T82.1Confident81.9Confident103 Ų10333.7 Ų33.763%0.63221%0.21SC*.THydrogen-bonded Turntrans-59.9128.6-179.634.90000111.3I17I17-T41 WeakPolarHBondContact CG2-O 3.11Å; I17-T41 WeakPolarHBondContact CG2-OG1 3.46Å
42G83.3Confident83Confident79 Ų7937.1 Ų37.181%0.81423%0.226SC*.THydrogen-bonded Turntrans96.93.1-172.800000115.2L40L40-G42 PolarHBondContact O-N 2.86Å
43F85.2Confident84.1Confident44 Ų4439.3 Ų39.319%0.19324%0.238CC..  trans-131128.9171.5-64.2-87.1000110.6W11 I17 L40 H45 F65 F68 L69 N74W11-F43 AromaticContact CH2-CE2 3.87Å; W11-F43 HydrophobicContact CH2-CE2 3.87Å; W11-F43 AromaticContact CH2-CZ 3.79Å; W11-F43 HydrophobicContact CH2-CZ 3.79Å; W11-F43 HydrophobicContact CZ3-CE2 4.39Å; I17-F43 HydrophobicContact CD1-CE2 4.21Å; L40-F43 HydrophobicContact CB-CD2 4.16Å; L40-F43 PolarHBondContact O-N 3.39Å; L40-F43 VanDerWaalsContact O-N 3.11Å; F43-H45 PolarHBondContact O-N 3.11Å; F43-F65 HydrophobicContact CB-CZ 4.06Å; F43-F65 HydrophobicContact CG-CZ 4.4Å; F43-F68 AromaticContact CD1-CE1 3.91Å; F43-F68 HydrophobicContact CD1-CE1 3.91Å; F43-F68 HydrophobicContact CD1-CZ 4.43Å; F43-L69 HydrophobicContact CD1-CD2 4.31Å; F43-L69 HydrophobicContact CE1-CD2 3.79Å; F43-L69 HydrophobicContact CE2-CD2 4.49Å; F43-L69 HydrophobicContact CZ-CD2 3.91Å; F43-N74 HydrophobicContact CE1-CB 4.5Å
44D76.9Confident84.6Confident176 Ų17643.2 Ų43.294%0.94126%0.255SS*.  trans-77.6-0178.7-53.1-42.7000113.3
45H83.9Confident84.9Confident33 Ų3350.2 Ų50.215%0.15329%0.285CS..PPolyproline II helixtrans-84.5120.3176.517860.1000110.8F43 S47 F65 F68F43-H45 PolarHBondContact O-N 3.11Å; H45-S47 WeakPolarHBondContact NE2-CB 2.95Å; H45-F65 AromaticContact CD2-CD2 3.99Å; H45-F65 AromaticContact CD2-CE2 3.92Å; H45-F65 VanDerWaalsContact O-CE2 3.25Å; H45-F65 WeakPolarHBondContact O-CE2 3.27Å; H45-F68 HydrophobicContact CB-CD1 3.99Å; H45-F68 HydrophobicContact CB-CD2 4.08Å; H45-F68 HydrophobicContact CB-CE1 3.66Å; H45-F68 HydrophobicContact CB-CE2 3.76Å; H45-F68 HydrophobicContact CB-CG 4.19Å; H45-F68 HydrophobicContact CB-CZ 3.54Å; H45-F68 AromaticContact CD2-CD1 3.41Å; H45-F68 VanDerWaalsContact CD2-CD1 3.41Å; H45-F68 WeakPolarHBondContact CD2-CD1 3.35Å; H45-F68 AromaticContact CD2-CD2 3.82Å; H45-F68 AromaticContact CD2-CG 3.29Å; H45-F68 WeakPolarHBondContact CD2-CG 3.23Å; H45-F68 AromaticContact CG-CD1 3.88Å; H45-F68 AromaticContact CG-CD2 3.76Å; H45-F68 AromaticContact CG-CE2 3.96Å; H45-F68 AromaticContact CG-CG 3.72Å; H45-F68 AromaticContact NE2-CG 3.76Å
46V84.5Confident84.9Confident60 Ų6051.1 Ų51.136%0.36429%0.294SS..PPolyproline II helixtrans-91.7116.5160.4-170.50000106.8D37 T39D37-V46 HydrophobicContact CB-CG1 4.08Å; T39-V46 HydrophobicContact CG2-CB 4.3Å; T39-V46 HydrophobicContact CG2-CG1 3.93Å; T39-V46 HydrophobicContact CG2-CG2 3.91Å
47S82.2Confident84.9Confident0 Ų051.1 Ų51.10%029%0.294CS..EExtended strand (participates in β ladder)trans-88.2156.6169.683.70000110L38 H45 A61 D64 F65L38-S47 WeakPolarHBondContact CB-OG 3.48Å; L38-S47 PolarHBondContact N-O 3.15Å; L38-S47 PolarHBondContact O-N 3.44Å; H45-S47 WeakPolarHBondContact NE2-CB 2.95Å; S47-A61 PolarHBondContact OG-O 3.48Å; S47-D64 WeakPolarHBondContact CA-OD2 3.24Å; S47-D64 VanDerWaalsContact CB-OD2 3.32Å; S47-D64 WeakPolarHBondContact CB-OD2 3.22Å; S47-F65 WeakPolarHBondContact OG-CB 3.49Å; S47-F65 WeakPolarHBondContact OG-CD2 3.3Å
48Y83.2Confident85Confident5 Ų552.6 Ų52.62%0.0230%0.301CS..EExtended strand (participates in β ladder)trans-129.4152.7-171.4174.9-98000111.8H35 C36 C50 A61 D64 F306 Q313H35-Y48 HydrophobicContact CB-CE2 3.96Å; H35-Y48 PolarHBondContact CD2-OH 3.32Å; H35-Y48 VanDerWaalsContact CD2-OH 3.3Å; H35-Y48 PolarHBondContact CE1-OH 3.39Å; H35-Y48 PolarHBondContact ND1-OH 3.11Å; H35-Y48 PolarHBondContact NE2-OH 3.25Å; C36-Y48 CarbonylContact O-C 3.59Å; C36-Y48 WeakPolarHBondContact O-CA 3.42Å; Y48-C50 HydrophobicContact CE1-CB 3.94Å; Y48-A61 VanDerWaalsContact O-CA 3.32Å; Y48-A61 WeakPolarHBondContact O-CA 3.48Å; Y48-D64 PolarHBondContact N-OD2 3.15Å; Y48-F306 HydrophobicContact CD1-CD2 4Å; Y48-F306 HydrophobicContact CD1-CE2 4.32Å; Y48-F306 HydrophobicContact CE1-CD2 4.06Å; Y48-F306 HydrophobicContact CE1-CE2 4.06Å; Y48-F306 HydrophobicContact CE2-CE2 4.42Å; Y48-F306 HydrophobicContact CG-CD2 4.46Å; Y48-Q313 HydrophobicContact CD1-CB 4.19Å; Y48-Q313 HydrophobicContact CD1-CG 3.89Å; Y48-Q313 HydrophobicContact CE1-CB 3.91Å; Y48-Q313 HydrophobicContact CE1-CG 4.14Å; Y48-Q313 PolarHBondContact O-NE2 3.06Å
49G84.2Confident84.9Confident0 Ų053.4 Ų53.40%031%0.306CS..EExtended strand (participates in β ladder)trans-146.7115.3179.500000113H35 C36 Q313H35-G49 CarbonylContact C-O 3.55Å; C36-G49 PolarHBondContact N-O 2.9Å; C36-G49 PolarHBondContact O-N 2.88Å; G49-Q313 VanDerWaalsContact CA-OE1 3.3Å
50C82.5Confident84.6Confident11 Ų1153.2 Ų53.27%0.07431%0.305CS..EExtended strand (participates in β ladder)trans-97.7139.5169.6-170.20000110.8F34 Y48 Q313F34-C50 WeakPolarHBondContact O-CA 3.44Å; Y48-C50 HydrophobicContact CE1-CB 3.94Å; C50-Q313 HydrophobicContact CB-CB 3.99Å
51S85Confident84.6Confident27 Ų2753 Ų5319%0.18930%0.304CS..EExtended strand (participates in β ladder)trans-168.5157162-170.40000111.5F34 N53 A56F34-S51 PolarHBondContact N-O 3.47Å; F34-S51 PolarHBondContact O-N 2.83Å; S51-N53 PolarHBondContact O-N 2.98Å; S51-N53 PolarHBondContact OG-N 3.03Å; S51-A56 VanDerWaalsContact OG-CB 3.3Å; S51-A56 WeakPolarHBondContact OG-CB 3.5Å
52T80.1Confident85.1Confident98 Ų9848.1 Ų48.160%0.60127%0.274SS*.SBendtrans-64.8-3167.7530000113.8Q33 F34Q33-T52 HydrophobicContact CG-CG2 4.32Å; F34-T52 WeakPolarHBondContact CE2-O 3.27Å
53N85Confident85.3Confident86 Ų8646.8 Ų46.846%0.4624%0.244SC..SBendtrans-130.9125.1179.2177.2-45.2000111.7S51 K55 A56 A57S51-N53 PolarHBondContact O-N 2.98Å; S51-N53 PolarHBondContact OG-N 3.03Å; N53-K55 PolarHBondContact O-N 3.14Å; N53-K55 VanDerWaalsContact O-N 3.12Å; N53-K55 WeakPolarHBondContact OD1-CA 3.42Å; N53-K55 VanDerWaalsContact OD1-CB 3.3Å; N53-K55 WeakPolarHBondContact OD1-CB 3.43Å; N53-K55 PolarHBondContact OD1-N 3.5Å; N53-A56 HydrophobicContact CB-CB 3.96Å; N53-A56 WeakPolarHBondContact O-CB 3.28Å; N53-A56 PolarHBondContact O-N 2.88Å; N53-A56 PolarHBondContact OD1-N 2.89Å; N53-A57 PolarHBondContact O-N 3.21Å
54K84.9Confident85.3Confident91 Ų9145.4 Ų45.440%0.39624%0.239SC..Hα-helixtrans-44-45.7177-75.5-167.5163.7167.80114.1M23 F34 M58M23-K54 HydrophobicContact CE-CB 4.04Å; M23-K54 HydrophobicContact CE-CD 4.21Å; M23-K54 HydrophobicContact CE-CG 4.21Å; M23-K54 HydrophobicContact SD-CB 3.72Å; M23-K54 HydrophobicContact SD-CD 3.96Å; M23-K54 HydrophobicContact SD-CG 3.52Å; M23-K54 VanDerWaalsContact SD-CG 3.52Å; F34-K54 HydrophobicContact CB-CG 4.45Å; F34-K54 HydrophobicContact CD1-CD 4.38Å; F34-K54 HydrophobicContact CD1-CG 3.43Å; F34-K54 VanDerWaalsContact CD1-CG 3.43Å; F34-K54 HydrophobicContact CD2-CG 4.05Å; F34-K54 VanDerWaalsContact CD2-N 3.32Å; F34-K54 HydrophobicContact CE1-CD 4.22Å; F34-K54 HydrophobicContact CE1-CG 3.55Å; F34-K54 HydrophobicContact CE2-CG 4.15Å; F34-K54 HydrophobicContact CG-CB 4.39Å; F34-K54 HydrophobicContact CG-CG 3.69Å; F34-K54 HydrophobicContact CZ-CG 3.91Å; K54-M58 PolarHBondContact O-N 3.4Å; K54-M58 VanDerWaalsContact O-N 3.08Å
55K86.3Confident86Confident168 Ų16837 Ų3773%0.7319%0.194SC*.Hα-helixtrans-76.1-32.2-174-155.3174.1-173.7176.50111.3N53 T59N53-K55 PolarHBondContact O-N 3.14Å; N53-K55 VanDerWaalsContact O-N 3.12Å; N53-K55 WeakPolarHBondContact OD1-CA 3.42Å; N53-K55 VanDerWaalsContact OD1-CB 3.3Å; N53-K55 WeakPolarHBondContact OD1-CB 3.43Å; N53-K55 PolarHBondContact OD1-N 3.5Å; K55-T59 PolarHBondContact O-N 3.38Å; K55-T59 PolarHBondContact O-OG1 3.38Å
56A84Confident86.3Confident26 Ų2635.5 Ų35.522%0.21519%0.187CC..Hα-helixtrans-70.8-48.3170.500000111S51 N53 M58 T59 T60S51-A56 VanDerWaalsContact OG-CB 3.3Å; S51-A56 WeakPolarHBondContact OG-CB 3.5Å; N53-A56 HydrophobicContact CB-CB 3.96Å; N53-A56 WeakPolarHBondContact O-CB 3.28Å; N53-A56 PolarHBondContact O-N 2.88Å; N53-A56 PolarHBondContact OD1-N 2.89Å; A56-M58 PolarHBondContact O-N 2.91Å; A56-T59 CarbonylContact O-C 3.6Å; A56-T59 VanDerWaalsContact O-CA 3.3Å; A56-T59 WeakPolarHBondContact O-CA 3.45Å; A56-T59 VanDerWaalsContact O-CB 3.32Å; A56-T59 WeakPolarHBondContact O-CB 3.5Å; A56-T59 PolarHBondContact O-N 3.04Å; A56-T60 PolarHBondContact O-N 3.29Å; A56-T60 PolarHBondContact O-OG1 2.86Å; A56-T60 VanDerWaalsContact O-OG1 3.09Å
57A86.1Confident86.1Confident0 Ų033.8 Ų33.80%018%0.18CC..Hα-helixtrans-54.2-47.1176.700000112.5F34 C36 N53 T59 T60 A61F34-A57 HydrophobicContact CB-CB 4.05Å; F34-A57 WeakPolarHBondContact O-CB 3.41Å; C36-A57 HydrophobicContact CB-CB 4.13Å; N53-A57 PolarHBondContact O-N 3.21Å; A57-T59 PolarHBondContact O-N 3.41Å; A57-T60 PolarHBondContact O-N 2.98Å; A57-A61 PolarHBondContact O-N 2.99Å
58M91.5Very high86.4Confident42 Ų4236 Ų3621%0.20719%0.189CC..Hα-helixtrans-60.3-25.3171.5-82.4-178.7149.300114.5K5 Y21 M23 K54 A56 A62K5-M58 HydrophobicContact CD-CB 4.44Å; K5-M58 PolarHBondContact NZ-SD 2.88Å; Y21-M58 HydrophobicContact CD1-CB 4.22Å; Y21-M58 HydrophobicContact CD1-CE 4.38Å; Y21-M58 HydrophobicContact CD1-CG 3.93Å; Y21-M58 HydrophobicContact CE1-CB 4.39Å; Y21-M58 WeakPolarHBondContact CE1-O 3.45Å; Y21-M58 HydrophobicContact CG-CE 3.97Å; Y21-M58 HydrophobicContact CG-CG 4.45Å; M23-M58 HydrophobicContact CE-CE 3.55Å; M23-M58 HydrophobicContact CE-CG 3.85Å; M23-M58 HydrophobicContact CE-SD 3.72Å; K54-M58 PolarHBondContact O-N 3.4Å; K54-M58 VanDerWaalsContact O-N 3.08Å; A56-M58 PolarHBondContact O-N 2.91Å; M58-A62 WeakPolarHBondContact O-CB 3.49Å; M58-A62 PolarHBondContact O-N 3.41Å
59T89.2Confident86.6Confident17 Ų1735.8 Ų35.810%0.10419%0.188CC..Hα-helixtrans-85.7-36.7177.8-55.20000110.9M1 K55 A56 A57 A62 R63M1-T59 HydrophobicContact CB-CG2 4.23Å; K55-T59 PolarHBondContact O-N 3.38Å; K55-T59 PolarHBondContact O-OG1 3.38Å; A56-T59 CarbonylContact O-C 3.6Å; A56-T59 VanDerWaalsContact O-CA 3.3Å; A56-T59 WeakPolarHBondContact O-CA 3.45Å; A56-T59 VanDerWaalsContact O-CB 3.32Å; A56-T59 WeakPolarHBondContact O-CB 3.5Å; A56-T59 PolarHBondContact O-N 3.04Å; A57-T59 PolarHBondContact O-N 3.41Å; T59-A62 PolarHBondContact O-N 3.03Å; T59-R63 WeakPolarHBondContact O-CB 3.43Å; T59-R63 PolarHBondContact O-N 2.98Å
60T85.2Confident86.8Confident48 Ų4837.3 Ų37.329%0.29420%0.196SC..Hα-helixtrans-59.4-49.5170.1-43.10000110.4A56 A57 A62 R63 D64 Q313A56-T60 PolarHBondContact O-N 3.29Å; A56-T60 PolarHBondContact O-OG1 2.86Å; A56-T60 VanDerWaalsContact O-OG1 3.09Å; A57-T60 PolarHBondContact O-N 2.98Å; T60-A62 VanDerWaalsContact C-N 3.32Å; T60-A62 PolarHBondContact O-N 3.44Å; T60-R63 WeakPolarHBondContact O-CB 3.42Å; T60-R63 PolarHBondContact O-N 3.38Å; T60-D64 PolarHBondContact O-N 3.04Å; T60-Q313 VanDerWaalsContact CG2-OE1 3.29Å
61A90.8Very high86.6Confident0 Ų041.5 Ų41.50%021%0.211CC..Hα-helixtrans-58.1-42.4175.700000112.3C36 L38 S47 Y48 A57 R63 D64 F65C36-A61 HydrophobicContact CB-CB 4.33Å; L38-A61 HydrophobicContact CB-CB 3.91Å; L38-A61 HydrophobicContact CD2-CB 4.24Å; S47-A61 PolarHBondContact OG-O 3.48Å; Y48-A61 VanDerWaalsContact O-CA 3.32Å; Y48-A61 WeakPolarHBondContact O-CA 3.48Å; A57-A61 PolarHBondContact O-N 2.99Å; A61-R63 PolarHBondContact O-N 3.08Å; A61-D64 PolarHBondContact O-N 2.91Å; A61-F65 PolarHBondContact O-N 3.17Å
62A92.9Very high86.6Confident0 Ų043 Ų430%022%0.219CC..Hα-helixtrans-67.1-32.8175.700000113.2K5 L8 L38 M58 T59 T60 C66K5-A62 HydrophobicContact CB-CB 4.02Å; K5-A62 HydrophobicContact CG-CB 4.32Å; L8-A62 HydrophobicContact CD2-CB 3.94Å; L38-A62 HydrophobicContact CD2-CB 4.36Å; M58-A62 WeakPolarHBondContact O-CB 3.49Å; M58-A62 PolarHBondContact O-N 3.41Å; T59-A62 PolarHBondContact O-N 3.03Å; T60-A62 VanDerWaalsContact C-N 3.32Å; T60-A62 PolarHBondContact O-N 3.44Å; A62-C66 WeakPolarHBondContact O-CB 3.45Å; A62-C66 PolarHBondContact O-N 3.15Å; A62-C66 PolarHBondContact O-SG 3.3Å
63R87.4Confident86.8Confident50 Ų5047.2 Ų47.219%0.18923%0.229CC..Hα-helixtrans-69-44.8175.7-173.6176.2-119.6172.75.1111.4V4 T59 T60 A61 C66 A67 D87V4-R63 HydrophobicContact CG1-CB 4.1Å; T59-R63 WeakPolarHBondContact O-CB 3.43Å; T59-R63 PolarHBondContact O-N 2.98Å; T60-R63 WeakPolarHBondContact O-CB 3.42Å; T60-R63 PolarHBondContact O-N 3.38Å; A61-R63 PolarHBondContact O-N 3.08Å; R63-C66 WeakPolarHBondContact O-CB 3.44Å; R63-C66 PolarHBondContact O-N 3.21Å; R63-A67 PolarHBondContact O-N 2.74Å; R63-D87 IonicContact CZ-OD2 3.18Å; R63-D87 IonicContact NH1-OD2 2.74Å; R63-D87 IonicContact NH2-OD2 2.67Å; R63-D87 PolarHBondContact NH2-OD2 3.11Å
64D84.9Confident86.9Confident16 Ų1646 Ų469%0.08622%0.222CC..Hα-helixtrans-58.8-47.7175-173.336.8000111.5S47 Y48 T60 A61 C66 A67 F68S47-D64 WeakPolarHBondContact CA-OD2 3.24Å; S47-D64 VanDerWaalsContact CB-OD2 3.32Å; S47-D64 WeakPolarHBondContact CB-OD2 3.22Å; Y48-D64 PolarHBondContact N-OD2 3.15Å; T60-D64 PolarHBondContact O-N 3.04Å; A61-D64 PolarHBondContact O-N 2.91Å; D64-C66 VanDerWaalsContact C-N 3.34Å; D64-C66 PolarHBondContact O-N 3.16Å; D64-A67 PolarHBondContact O-N 2.8Å; D64-A67 VanDerWaalsContact O-N 3.15Å; D64-F68 PolarHBondContact O-N 3.2Å
65F91.7Very high87.1Confident0 Ų042.1 Ų42.10%021%0.205CC..Hα-helixtrans-62.9-39.1175.8-143.9-66.8000112.2L8 L38 L40 F43 H45 S47 A61 F68 L69L8-F65 HydrophobicContact CD1-CD1 4.42Å; L8-F65 HydrophobicContact CD2-CB 3.93Å; L8-F65 HydrophobicContact CD2-CG 4.48Å; L38-F65 HydrophobicContact CD2-CB 4.06Å; L38-F65 HydrophobicContact CD2-CD2 4.26Å; L38-F65 HydrophobicContact CD2-CG 4.47Å; L38-F65 HydrophobicContact CG-CD2 4.04Å; L40-F65 HydrophobicContact CB-CE1 4.36Å; L40-F65 HydrophobicContact CB-CE2 4.28Å; L40-F65 HydrophobicContact CB-CZ 3.83Å; L40-F65 HydrophobicContact CD1-CD1 3.82Å; L40-F65 HydrophobicContact CD1-CD2 4.43Å; L40-F65 HydrophobicContact CD1-CE1 3.55Å; L40-F65 HydrophobicContact CD1-CE2 4.19Å; L40-F65 HydrophobicContact CD1-CG 4.29Å; L40-F65 HydrophobicContact CD1-CZ 3.77Å; L40-F65 HydrophobicContact CG-CE1 4.5Å; L40-F65 HydrophobicContact CG-CZ 4.26Å; F43-F65 HydrophobicContact CB-CZ 4.06Å; F43-F65 HydrophobicContact CG-CZ 4.4Å; H45-F65 AromaticContact CD2-CD2 3.99Å; H45-F65 AromaticContact CD2-CE2 3.92Å; H45-F65 VanDerWaalsContact O-CE2 3.25Å; H45-F65 WeakPolarHBondContact O-CE2 3.27Å; S47-F65 WeakPolarHBondContact OG-CB 3.49Å; S47-F65 WeakPolarHBondContact OG-CD2 3.3Å; A61-F65 PolarHBondContact O-N 3.17Å; F65-F68 HydrophobicContact CD1-CD1 4.21Å; F65-F68 AromaticContact CE1-CD1 3.89Å; F65-F68 HydrophobicContact CE1-CD1 3.89Å; F65-F68 HydrophobicContact CE1-CE1 4.21Å; F65-F68 HydrophobicContact CZ-CD1 4.4Å; F65-F68 HydrophobicContact CZ-CE1 4.5Å; F65-F68 PolarHBondContact O-N 3.22Å; F65-L69 HydrophobicContact CD1-CD1 3.58Å; F65-L69 HydrophobicContact CD1-CD2 4.42Å; F65-L69 HydrophobicContact CD1-CG 3.7Å; F65-L69 HydrophobicContact CE1-CD1 3.87Å; F65-L69 HydrophobicContact CE1-CD2 4.02Å; F65-L69 HydrophobicContact CE1-CG 3.81Å; F65-L69 WeakPolarHBondContact O-CB 3.44Å; F65-L69 WeakPolarHBondContact O-CG 3.47Å; F65-L69 PolarHBondContact O-N 3.35Å
66C90.2Very high87Confident0 Ų038.5 Ų38.50%019%0.194CC..Hα-helixtrans-62.3-42.6173.8-77.80000112.1V4 A62 R63 D64 L69 L70 F80V4-C66 HydrophobicContact CG1-CB 4.32Å; A62-C66 WeakPolarHBondContact O-CB 3.45Å; A62-C66 PolarHBondContact O-N 3.15Å; A62-C66 PolarHBondContact O-SG 3.3Å; R63-C66 WeakPolarHBondContact O-CB 3.44Å; R63-C66 PolarHBondContact O-N 3.21Å; D64-C66 VanDerWaalsContact C-N 3.34Å; D64-C66 PolarHBondContact O-N 3.16Å; C66-L69 PolarHBondContact O-N 3.04Å; C66-L70 WeakPolarHBondContact O-CB 3.36Å; C66-L70 VanDerWaalsContact O-CG 3.29Å; C66-L70 WeakPolarHBondContact O-CG 3.45Å; C66-L70 PolarHBondContact O-N 2.77Å; C66-F80 HydrophobicContact CB-CE1 4.33Å; C66-F80 HydrophobicContact CB-CZ 3.83Å
67A81.6Confident87Confident25 Ų2539.9 Ų39.921%0.20720%0.197CC..Hα-helixtrans-65.5-3617600000112.5R63 D64 R71R63-A67 PolarHBondContact O-N 2.74Å; D64-A67 PolarHBondContact O-N 2.8Å; D64-A67 VanDerWaalsContact O-N 3.15Å; A67-R71 WeakPolarHBondContact O-CB 3.36Å; A67-R71 WeakPolarHBondContact O-CG 3.38Å; A67-R71 PolarHBondContact O-N 2.99Å; A67-R71 PolarHBondContact O-NE 3.45Å
68F87.2Confident86.9Confident47 Ų4743.2 Ų43.221%0.20622%0.221CC..Hα-helixtrans-63-46.7169.1167.3-99.7000112.4F43 H45 D64 F65 L70 R71 T72F43-F68 AromaticContact CD1-CE1 3.91Å; F43-F68 HydrophobicContact CD1-CE1 3.91Å; F43-F68 HydrophobicContact CD1-CZ 4.43Å; H45-F68 HydrophobicContact CB-CD1 3.99Å; H45-F68 HydrophobicContact CB-CD2 4.08Å; H45-F68 HydrophobicContact CB-CE1 3.66Å; H45-F68 HydrophobicContact CB-CE2 3.76Å; H45-F68 HydrophobicContact CB-CG 4.19Å; H45-F68 HydrophobicContact CB-CZ 3.54Å; H45-F68 AromaticContact CD2-CD1 3.41Å; H45-F68 VanDerWaalsContact CD2-CD1 3.41Å; H45-F68 WeakPolarHBondContact CD2-CD1 3.35Å; H45-F68 AromaticContact CD2-CD2 3.82Å; H45-F68 AromaticContact CD2-CG 3.29Å; H45-F68 WeakPolarHBondContact CD2-CG 3.23Å; H45-F68 AromaticContact CG-CD1 3.88Å; H45-F68 AromaticContact CG-CD2 3.76Å; H45-F68 AromaticContact CG-CE2 3.96Å; H45-F68 AromaticContact CG-CG 3.72Å; H45-F68 AromaticContact NE2-CG 3.76Å; D64-F68 PolarHBondContact O-N 3.2Å; F65-F68 HydrophobicContact CD1-CD1 4.21Å; F65-F68 AromaticContact CE1-CD1 3.89Å; F65-F68 HydrophobicContact CE1-CD1 3.89Å; F65-F68 HydrophobicContact CE1-CE1 4.21Å; F65-F68 HydrophobicContact CZ-CD1 4.4Å; F65-F68 HydrophobicContact CZ-CE1 4.5Å; F65-F68 PolarHBondContact O-N 3.22Å; F68-L70 VanDerWaalsContact C-N 3.33Å; F68-L70 PolarHBondContact O-N 2.85Å; F68-R71 PolarHBondContact O-N 2.77Å; F68-T72 HydrophobicContact CD2-CG2 4.05Å; F68-T72 HydrophobicContact CE1-CG2 4.46Å; F68-T72 HydrophobicContact CE2-CG2 3.61Å; F68-T72 HydrophobicContact CZ-CG2 3.84Å; F68-T72 WeakPolarHBondContact O-CB 3.37Å; F68-T72 WeakPolarHBondContact O-CG2 3.39Å; F68-T72 PolarHBondContact O-N 3.39Å; F68-T72 PolarHBondContact O-OG1 3.06Å
69L88.9Confident86.6Confident0 Ų045.6 Ų45.60%023%0.232CC..Hα-helixtrans-67.8-30.7179.7-72.1172.4000113.2L8 W11 F43 F65 C66 T72 K73 N74 M75L8-L69 HydrophobicContact CD1-CD1 3.69Å; W11-L69 HydrophobicContact CD2-CD1 4.19Å; W11-L69 HydrophobicContact CE3-CD1 3.9Å; W11-L69 HydrophobicContact CH2-CD1 3.56Å; W11-L69 HydrophobicContact CH2-CD2 3.52Å; W11-L69 HydrophobicContact CH2-CG 4.19Å; W11-L69 HydrophobicContact CZ2-CD1 3.8Å; W11-L69 HydrophobicContact CZ2-CD2 3.77Å; W11-L69 HydrophobicContact CZ2-CG 4.31Å; W11-L69 HydrophobicContact CZ3-CD1 3.6Å; W11-L69 HydrophobicContact CZ3-CD2 4.31Å; F43-L69 HydrophobicContact CD1-CD2 4.31Å; F43-L69 HydrophobicContact CE1-CD2 3.79Å; F43-L69 HydrophobicContact CE2-CD2 4.49Å; F43-L69 HydrophobicContact CZ-CD2 3.91Å; F65-L69 HydrophobicContact CD1-CD1 3.58Å; F65-L69 HydrophobicContact CD1-CD2 4.42Å; F65-L69 HydrophobicContact CD1-CG 3.7Å; F65-L69 HydrophobicContact CE1-CD1 3.87Å; F65-L69 HydrophobicContact CE1-CD2 4.02Å; F65-L69 HydrophobicContact CE1-CG 3.81Å; F65-L69 WeakPolarHBondContact O-CB 3.44Å; F65-L69 WeakPolarHBondContact O-CG 3.47Å; F65-L69 PolarHBondContact O-N 3.35Å; C66-L69 PolarHBondContact O-N 3.04Å; L69-T72 WeakPolarHBondContact CA-OG1 3.33Å; L69-T72 PolarHBondContact O-OG1 3.44Å; L69-K73 PolarHBondContact O-N 3.32Å; L69-N74 HydrophobicContact CB-CB 4.43Å; L69-N74 HydrophobicContact CD2-CB 3.61Å; L69-N74 PolarHBondContact O-N 3.27Å; L69-M75 HydrophobicContact CB-CB 3.85Å; L69-M75 HydrophobicContact CB-CE 4.04Å; L69-M75 HydrophobicContact CD1-CE 3.52Å; L69-M75 HydrophobicContact CG-CE 4.45Å; L69-M75 PolarHBondContact O-N 2.92Å
70L86.6Confident86.4Confident31 Ų3144.9 Ų44.916%0.16223%0.228CC..Hα-helixtrans-68.6-50.7171.4-74.3164.8000111.2C66 F68 T72 K73 I77 F80 I88C66-L70 WeakPolarHBondContact O-CB 3.36Å; C66-L70 VanDerWaalsContact O-CG 3.29Å; C66-L70 WeakPolarHBondContact O-CG 3.45Å; C66-L70 PolarHBondContact O-N 2.77Å; F68-L70 VanDerWaalsContact C-N 3.33Å; F68-L70 PolarHBondContact O-N 2.85Å; L70-T72 VanDerWaalsContact C-N 3.3Å; L70-T72 PolarHBondContact O-N 2.95Å; L70-K73 PolarHBondContact O-N 3.1Å; L70-I77 HydrophobicContact CD2-CB 3.85Å; L70-I77 HydrophobicContact CD2-CG1 4.32Å; L70-F80 HydrophobicContact CD1-CD2 4.48Å; L70-F80 HydrophobicContact CD1-CE2 3.92Å; L70-F80 HydrophobicContact CD2-CE2 4.19Å; L70-F80 HydrophobicContact CG-CE2 4.29Å; L70-I88 HydrophobicContact CD1-CG2 3.63Å
71R79.7Confident86.1Confident100 Ų10044.8 Ų44.838%0.37723%0.228SC..Hα-helixtrans-60.4-37.9178-76.4-177.1-74.7-150.22.1112.8A67 F68 K73 T321A67-R71 WeakPolarHBondContact O-CB 3.36Å; A67-R71 WeakPolarHBondContact O-CG 3.38Å; A67-R71 PolarHBondContact O-N 2.99Å; A67-R71 PolarHBondContact O-NE 3.45Å; F68-R71 PolarHBondContact O-N 2.77Å; R71-K73 VanDerWaalsContact C-N 3.26Å; R71-K73 PolarHBondContact O-N 2.97Å; R71-T321 PolarHBondContact NH1-O 3.06Å
72T85Confident85.3Confident58 Ų5848.1 Ų48.136%0.35626%0.256SS..THydrogen-bonded Turntrans-82.24.1175.158.10000114.2F68 L69 L70 N74F68-T72 HydrophobicContact CD2-CG2 4.05Å; F68-T72 HydrophobicContact CE1-CG2 4.46Å; F68-T72 HydrophobicContact CE2-CG2 3.61Å; F68-T72 HydrophobicContact CZ-CG2 3.84Å; F68-T72 WeakPolarHBondContact O-CB 3.37Å; F68-T72 WeakPolarHBondContact O-CG2 3.39Å; F68-T72 PolarHBondContact O-N 3.39Å; F68-T72 PolarHBondContact O-OG1 3.06Å; L69-T72 WeakPolarHBondContact CA-OG1 3.33Å; L69-T72 PolarHBondContact O-OG1 3.44Å; L70-T72 VanDerWaalsContact C-N 3.3Å; L70-T72 PolarHBondContact O-N 2.95Å; T72-N74 WeakPolarHBondContact CB-ND2 3.48Å; T72-N74 PolarHBondContact O-N 3.49Å; T72-N74 PolarHBondContact O-ND2 3.37Å; T72-N74 PolarHBondContact OG1-ND2 3.03Å
73K84.1Confident84.3Confident187 Ų18753.3 Ų53.381%0.81328%0.283SS*.THydrogen-bonded Turntrans58.322.5180-55-177.1179.3-179.70114.9L69 L70 R71L69-K73 PolarHBondContact O-N 3.32Å; L70-K73 PolarHBondContact O-N 3.1Å; R71-K73 VanDerWaalsContact C-N 3.26Å; R71-K73 PolarHBondContact O-N 2.97Å
74N86.7Confident83.6Confident61 Ų6151 Ų5133%0.32628%0.275SS..SBendtrans-85.4-21.2175.4-77.5-66.1000112.8W11 R15 F43 L69 T72W11-N74 HydrophobicContact CZ2-CB 4.11Å; W11-N74 WeakPolarHBondContact CZ2-O 3.38Å; W11-N74 PolarHBondContact NE1-O 3Å; R15-N74 PolarHBondContact NH2-O 3.23Å; F43-N74 HydrophobicContact CE1-CB 4.5Å; L69-N74 HydrophobicContact CB-CB 4.43Å; L69-N74 HydrophobicContact CD2-CB 3.61Å; L69-N74 PolarHBondContact O-N 3.27Å; T72-N74 WeakPolarHBondContact CB-ND2 3.48Å; T72-N74 PolarHBondContact O-N 3.49Å; T72-N74 PolarHBondContact O-ND2 3.37Å; T72-N74 PolarHBondContact OG1-ND2 3.03Å
75M88.7Confident82.9Confident8 Ų854.3 Ų54.34%0.03929%0.286CS..SBendtrans-122.8148.8168.2-164.4175.1-39.800109.5I7 L8 W11 L69 M79 F80I7-M75 HydrophobicContact CG2-SD 4.21Å; L8-M75 HydrophobicContact CD1-CE 3.99Å; W11-M75 HydrophobicContact CB-CE 4.21Å; W11-M75 HydrophobicContact CD2-CE 3.86Å; W11-M75 HydrophobicContact CE3-CE 4.5Å; W11-M75 HydrophobicContact CG-CE 3.72Å; W11-M75 HydrophobicContact CG-CG 4.47Å; W11-M75 HydrophobicContact CG-SD 4.37Å; L69-M75 HydrophobicContact CB-CB 3.85Å; L69-M75 HydrophobicContact CB-CE 4.04Å; L69-M75 HydrophobicContact CD1-CE 3.52Å; L69-M75 HydrophobicContact CG-CE 4.45Å; L69-M75 PolarHBondContact O-N 2.92Å; M75-M79 HydrophobicContact CG-SD 4.05Å; M75-F80 HydrophobicContact CG-CE2 4.32Å; M75-F80 HydrophobicContact SD-CE2 3.53Å; M75-F80 VanDerWaalsContact SD-CE2 3.53Å; M75-F80 HydrophobicContact SD-CZ 3.48Å; M75-F80 WeakPolarHBondContact SD-CZ 3.45Å
76D84.8Confident81.5Confident93 Ų9361.5 Ų61.550%0.49732%0.32SS..  trans-103.8136.2178.5-171.6-58.1000109.3S78 M79D76-S78 VanDerWaalsContact CG-OG 3.22Å; D76-S78 PolarHBondContact O-N 2.93Å; D76-S78 VanDerWaalsContact O-N 3.16Å; D76-S78 WeakPolarHBondContact OD1-CB 3.36Å; D76-S78 PolarHBondContact OD1-N 3.1Å; D76-S78 PolarHBondContact OD1-OG 3.37Å; D76-M79 WeakPolarHBondContact O-CB 3.46Å; D76-M79 PolarHBondContact O-N 3.36Å
77I85Confident80.2Confident54 Ų5465.2 Ų65.228%0.27734%0.34SS..G310 helixtrans-64.5-19.7-176.6-159164.5000113L70 M79 F80 R85 E89L70-I77 HydrophobicContact CD2-CB 3.85Å; L70-I77 HydrophobicContact CD2-CG1 4.32Å; I77-M79 PolarHBondContact O-N 3.31Å; I77-M79 VanDerWaalsContact O-N 3.16Å; I77-F80 PolarHBondContact O-N 3.42Å; I77-F80 VanDerWaalsContact O-N 3.12Å; I77-R85 HydrophobicContact CG1-CG 4.17Å; I77-R85 PolarHBondContact O-NE 3.21Å; I77-E89 HydrophobicContact CD1-CG 3.81Å; I77-E89 WeakPolarHBondContact CD1-OE1 3.26Å
78S83.3Confident79.2Confident71 Ų7164.8 Ų64.850%0.49733%0.334SS..G310 helixtrans-57.3-24.2170.960.80000113.8D76 F80 R85D76-S78 VanDerWaalsContact CG-OG 3.22Å; D76-S78 PolarHBondContact O-N 2.93Å; D76-S78 VanDerWaalsContact O-N 3.16Å; D76-S78 WeakPolarHBondContact OD1-CB 3.36Å; D76-S78 PolarHBondContact OD1-N 3.1Å; D76-S78 PolarHBondContact OD1-OG 3.37Å; S78-F80 PolarHBondContact O-N 2.85Å; S78-R85 PolarHBondContact O-NH2 2.84Å; S78-R85 VanDerWaalsContact O-NH2 3.13Å
79M84Confident77.4Confident91 Ų9167.2 Ų67.245%0.44835%0.346SS..G310 helixtrans-70.6-15.5177.5-64.5-163.9175.300114.2M75 D76 I77M75-M79 HydrophobicContact CG-SD 4.05Å; D76-M79 WeakPolarHBondContact O-CB 3.46Å; D76-M79 PolarHBondContact O-N 3.36Å; I77-M79 PolarHBondContact O-N 3.31Å; I77-M79 VanDerWaalsContact O-N 3.16Å
80F85.3Confident75.2Confident2 Ų270 Ų701%0.00937%0.368CS..SBendtrans-94.6139.8177.2-62.4-87.2000111V4 I7 C66 L70 M75 I77 S78 I84 R85 I88V4-F80 HydrophobicContact CG1-CE1 4.37Å; I7-F80 HydrophobicContact CB-CE1 4.33Å; I7-F80 HydrophobicContact CD1-CD1 3.59Å; I7-F80 HydrophobicContact CD1-CE1 3.95Å; I7-F80 HydrophobicContact CD1-CG 4.38Å; I7-F80 HydrophobicContact CG2-CD1 4.4Å; I7-F80 HydrophobicContact CG2-CE1 3.88Å; I7-F80 HydrophobicContact CG2-CZ 4.02Å; C66-F80 HydrophobicContact CB-CE1 4.33Å; C66-F80 HydrophobicContact CB-CZ 3.83Å; L70-F80 HydrophobicContact CD1-CD2 4.48Å; L70-F80 HydrophobicContact CD1-CE2 3.92Å; L70-F80 HydrophobicContact CD2-CE2 4.19Å; L70-F80 HydrophobicContact CG-CE2 4.29Å; M75-F80 HydrophobicContact CG-CE2 4.32Å; M75-F80 HydrophobicContact SD-CE2 3.53Å; M75-F80 VanDerWaalsContact SD-CE2 3.53Å; M75-F80 HydrophobicContact SD-CZ 3.48Å; M75-F80 WeakPolarHBondContact SD-CZ 3.45Å; I77-F80 PolarHBondContact O-N 3.42Å; I77-F80 VanDerWaalsContact O-N 3.12Å; S78-F80 PolarHBondContact O-N 2.85Å; F80-I84 HydrophobicContact CB-CG2 4.44Å; F80-I84 HydrophobicContact CD1-CG2 4.06Å; F80-R85 HydrophobicContact CB-CG 4.17Å; F80-R85 PolarHBondContact O-NE 3.41Å; F80-R85 PolarHBondContact O-NH2 2.81Å; F80-I88 HydrophobicContact CD1-CD1 3.85Å; F80-I88 HydrophobicContact CE1-CD1 3.97Å; F80-I88 HydrophobicContact CG-CD1 4.23Å; F80-I88 HydrophobicContact CZ-CD1 4.44Å
81P78.7Confident73.2Confident46 Ų4672.4 Ų72.430%0.29938%0.382SS..  trans-67152.1173.132.2-36.2000110.1N83 I84 R85P81-N83 VanDerWaalsContact C-N 3.3Å; P81-N83 WeakPolarHBondContact CB-OD1 3.32Å; P81-N83 PolarHBondContact O-N 3.5Å; P81-I84 HydrophobicContact CG-CB 4.27Å; P81-I84 HydrophobicContact CG-CD1 4.01Å; P81-I84 HydrophobicContact CG-CG1 4.24Å; P81-I84 PolarHBondContact O-N 3.03Å; P81-R85 PolarHBondContact O-N 2.8Å
82A74.1Confident71.2Confident71 Ų7171.3 Ų71.359%0.58739%0.389SS*.Hα-helixtrans-56-41.5-166.200000113.5I84 R85A82-I84 PolarHBondContact O-N 3Å; A82-R85 PolarHBondContact O-N 3.22Å; A82-R85 VanDerWaalsContact O-N 3.07Å
83N72.7Confident68.5Low108 Ų10872.2 Ų72.258%0.57840%0.398SS*.Hα-helixtrans-65.7-0.7176.865.1-58.6000115.4P81P81-N83 VanDerWaalsContact C-N 3.3Å; P81-N83 WeakPolarHBondContact CB-OD1 3.32Å; P81-N83 PolarHBondContact O-N 3.5Å
84I72Confident65.7Low3 Ų367.9 Ų67.92%0.01539%0.391CS..Hα-helixtrans-116.8-14174.3-69.2-177.2000111.4E3 V4 F80 P81 A82 I88E3-I84 HydrophobicContact CB-CD1 4.03Å; E3-I84 WeakPolarHBondContact OE2-CD1 3.39Å; V4-I84 HydrophobicContact CG2-CD1 4.32Å; V4-I84 HydrophobicContact CG2-CG2 3.91Å; F80-I84 HydrophobicContact CB-CG2 4.44Å; F80-I84 HydrophobicContact CD1-CG2 4.06Å; P81-I84 HydrophobicContact CG-CB 4.27Å; P81-I84 HydrophobicContact CG-CD1 4.01Å; P81-I84 HydrophobicContact CG-CG1 4.24Å; P81-I84 PolarHBondContact O-N 3.03Å; A82-I84 PolarHBondContact O-N 3Å; I84-I88 HydrophobicContact CG2-CD1 3.67Å; I84-I88 HydrophobicContact CG2-CG1 4.27Å; I84-I88 WeakPolarHBondContact O-CG1 3.27Å; I84-I88 PolarHBondContact O-N 2.78Å
85R71.6Confident62.7Low85 Ų8567.8 Ų67.832%0.32140%0.395SS..Hα-helixtrans-68-46.6177.9-63.9-173.7-169.3167.96.8111.3I77 S78 F80 P81 A82 D87 I88 E89I77-R85 HydrophobicContact CG1-CG 4.17Å; I77-R85 PolarHBondContact O-NE 3.21Å; S78-R85 PolarHBondContact O-NH2 2.84Å; S78-R85 VanDerWaalsContact O-NH2 3.13Å; F80-R85 HydrophobicContact CB-CG 4.17Å; F80-R85 PolarHBondContact O-NE 3.41Å; F80-R85 PolarHBondContact O-NH2 2.81Å; P81-R85 PolarHBondContact O-N 2.8Å; A82-R85 PolarHBondContact O-N 3.22Å; A82-R85 VanDerWaalsContact O-N 3.07Å; R85-D87 VanDerWaalsContact C-N 3.34Å; R85-D87 PolarHBondContact O-N 3.06Å; R85-I88 CarbonylContact O-C 3.53Å; R85-I88 PolarHBondContact O-N 3.02Å; R85-E89 WeakPolarHBondContact O-CB 3.47Å; R85-E89 WeakPolarHBondContact O-CG 3.34Å; R85-E89 PolarHBondContact O-N 3.26Å
86E61.9Low59.5Low151 Ų15172.3 Ų72.371%0.70643%0.434SS*.Hα-helixtrans-59-41.5179.5-65.4-178.915400112.2I88 E89 A90E86-I88 PolarHBondContact O-N 3.28Å; E86-E89 PolarHBondContact O-N 2.93Å; E86-A90 WeakPolarHBondContact O-CB 3.45Å; E86-A90 PolarHBondContact O-N 3.21Å
87D61.5Low56.5Low78 Ų7872.3 Ų72.342%0.41745%0.447SS..Hα-helixtrans-57.2-46.2171.9-85.618.4000112.1R63 R85 D91R63-D87 IonicContact CZ-OD2 3.18Å; R63-D87 IonicContact NH1-OD2 2.74Å; R63-D87 IonicContact NH2-OD2 2.67Å; R63-D87 PolarHBondContact NH2-OD2 3.11Å; R85-D87 VanDerWaalsContact C-N 3.34Å; R85-D87 PolarHBondContact O-N 3.06Å; D87-D91 PolarHBondContact O-N 2.77Å; D87-D91 VanDerWaalsContact O-N 3.13Å
88I60.6Low54.4Low16 Ų1674.8 Ų74.88%0.08247%0.467CS..Hα-helixtrans-77.4-26.9-174.3-66.1175.9000111.6L70 F80 I84 R85 E86L70-I88 HydrophobicContact CD1-CG2 3.63Å; F80-I88 HydrophobicContact CD1-CD1 3.85Å; F80-I88 HydrophobicContact CE1-CD1 3.97Å; F80-I88 HydrophobicContact CG-CD1 4.23Å; F80-I88 HydrophobicContact CZ-CD1 4.44Å; I84-I88 HydrophobicContact CG2-CD1 3.67Å; I84-I88 HydrophobicContact CG2-CG1 4.27Å; I84-I88 WeakPolarHBondContact O-CG1 3.27Å; I84-I88 PolarHBondContact O-N 2.78Å; R85-I88 CarbonylContact O-C 3.53Å; R85-I88 PolarHBondContact O-N 3.02Å; E86-I88 PolarHBondContact O-N 3.28Å
89E51.2Low51.5Low98 Ų9877.9 Ų77.946%0.45848%0.477SS..Hα-helixtrans-80.9-34.1172.8-70179.3144.600111.6I77 R85 E86 S92 S93I77-E89 HydrophobicContact CD1-CG 3.81Å; I77-E89 WeakPolarHBondContact CD1-OE1 3.26Å; R85-E89 WeakPolarHBondContact O-CB 3.47Å; R85-E89 WeakPolarHBondContact O-CG 3.34Å; R85-E89 PolarHBondContact O-N 3.26Å; E86-E89 PolarHBondContact O-N 2.93Å; E89-S92 WeakPolarHBondContact O-CA 3.24Å; E89-S92 WeakPolarHBondContact O-CB 3.39Å; E89-S92 PolarHBondContact O-N 3.36Å; E89-S92 PolarHBondContact O-OG 3.17Å; E89-S93 PolarHBondContact O-N 2.91Å
90A42.1Very low48.7Very low57 Ų5778.7 Ų78.747%0.47149%0.488SS..Hα-helixtrans-62.6-43.2171.700000111.8E86 S92 S93E86-A90 WeakPolarHBondContact O-CB 3.45Å; E86-A90 PolarHBondContact O-N 3.21Å; A90-S92 PolarHBondContact O-N 2.88Å; A90-S93 CarbonylContact O-C 3.49Å; A90-S93 PolarHBondContact O-N 3.12Å
91D43.9Very low45.7Very low83 Ų8384.3 Ų84.344%0.44452%0.523SS..THydrogen-bonded Turntrans-63.41.5169.5-79.2-20.6000113.6D87 T321D87-D91 PolarHBondContact O-N 2.77Å; D87-D91 VanDerWaalsContact O-N 3.13Å; D91-T321 WeakPolarHBondContact O-CA 3.47Å; D91-T321 WeakPolarHBondContact O-CB 3.26Å; D91-T321 WeakPolarHBondContact O-CG2 3.47Å
92S38.9Very low43Very low77 Ų7787.8 Ų87.854%0.53854%0.543SS..THydrogen-bonded Turntrans-109.3-10.8170.484.40000114.4E89 A90E89-S92 WeakPolarHBondContact O-CA 3.24Å; E89-S92 WeakPolarHBondContact O-CB 3.39Å; E89-S92 PolarHBondContact O-N 3.36Å; E89-S92 PolarHBondContact O-OG 3.17Å; A90-S92 PolarHBondContact O-N 2.88Å
93S26.7Very low40.5Very low77 Ų7789.9 Ų89.954%0.53855%0.548SS..SBendtrans-155.489.5-175.263.90000115.1E89 A90E89-S93 PolarHBondContact O-N 2.91Å; A90-S93 CarbonylContact O-C 3.49Å; A90-S93 PolarHBondContact O-N 3.12Å
94S25.4Very low38.1Very low96 Ų9689.5 Ų89.567%0.67155%0.554SS**  158.6162.7128.358.10000113.7
95S23.6Very low35.7Very low59 Ų5994.4 Ų94.441%0.41359%0.585SS.*  trans-147.8160.6144.274.80000110.2N318S95-N318 VanDerWaalsContact CB-OD1 3.3Å; S95-N318 WeakPolarHBondContact CB-OD1 3.46Å; S95-N318 PolarHBondContact N-OD1 3.22Å; S95-N318 WeakPolarHBondContact OG-CB 3.22Å; S95-N318 PolarHBondContact OG-OD1 2.9Å
96A22.4Very low33.4Very low102 Ų10298.2 Ų98.284%0.84361%0.606SS**  trans-154.6144.3159.300000110.6
97A22.6Very low31.5Very low94 Ų9497.9 Ų97.978%0.77761%0.609SS**  trans-168.9179.7177.500000107.9
98P39.6Very low29.6Very low106 Ų106100.1 Ų100.169%0.68862%0.624SS**  cis-128.9-130.4-26.327.1-2.7000110.3
99N23.8Very low27.8Very low135 Ų135103.6 Ų103.672%0.72266%0.656SS**  trans89.2150.3155.9-64.3-17000119.7
100T23.5Very low26.4Very low108 Ų108104.6 Ų104.666%0.66366%0.664SS**  cis-170.7169.6-5.923.30000115
101T22.6Very low25.6Very low121 Ų121108 Ų10874%0.74267%0.673SS**  trans70.6176148.140.20000121.4
102T22.5Very low24.6Very low119 Ų119108 Ų10873%0.7368%0.679SS**  -156.8-159.7-69.335.50000107.8
103T21.8Very low23.8Very low114 Ų114111.8 Ų111.870%0.69969%0.689SS**  cis-167.1139.910.7-22.40000113
104S22Very low23.7Very low100 Ų100113.5 Ų113.570%0.69970%0.696SS**  trans52.2176.7148.569.40000121.5
105T22.3Very low23.8Very low107 Ų107114 Ų11466%0.65670%0.697SS**  cis-159149.412.6-23.70000115
106E22.2Very low23.8Very low164 Ų164119.9 Ų119.977%0.76672%0.715SS**  trans65.2174.9149.8-95.4165.6-9800120.9
107L22.1Very low23.9Very low145 Ų145123 Ų12376%0.75971%0.712SS**  cis-140.7-127.113-137.9162.5000114.7
108V22.1Very low24.1Very low124 Ų124124.6 Ų124.675%0.75272%0.715SS**  trans-128.2145.5-163.4154.10000113.2
109A22.9Very low23.4Very low89 Ų89124 Ų12474%0.73672%0.719SS**  170.3167.6102.300000110.9
110N22.4Very low23.6Very low119 Ų119122.7 Ų122.764%0.63672%0.72SS**  cis-160.7-179.9-13-142.3-12.2000113.8
111I23.9Very low23.5Very low129 Ų129123.8 Ų123.866%0.66273%0.727SS**  trans-5.8147.8141.8-76.2166.7000117.3
112S23.3Very low23.6Very low82 Ų82126.1 Ų126.157%0.57374%0.735SS**  cis178.7-178.1-3.5-90.90000108.5
113E22.8Very low23.7Very low157 Ų157124.4 Ų124.473%0.73473%0.728SS**  cis-164.4149.5-15.3-106.7167.9-9500109.1
114V23.8Very low24Very low114 Ų114124.7 Ų124.769%0.69173%0.731SS**  66.4142.988.6-179.20000115.6
115P27.2Very low24.1Very low107 Ų107126.6 Ų126.670%0.69574%0.738SS**  cis-112.4167.51.813.212.8000115.1
116K24.8Very low24.1Very low182 Ų182124.8 Ų124.879%0.79174%0.741SS**  55.915075.4-41.8-176.9177.41780115.2
117E23.8Very low24.3Very low167 Ų167121.7 Ų121.778%0.7874%0.743SS**  cis-144.5-15127-75.6-165.7151.200113.4
118P27.1Very low24.5Very low128 Ų128120.8 Ų120.883%0.83174%0.739SS**  -121.4-158.2-81.538.9-23.7000114.8
119A24.5Very low24.7Very low94 Ų94120 Ų12078%0.77774%0.739SS**  trans-116.8163.8-160.600000116.6
120S27.2Very low24.9Very low107 Ų107121.6 Ų121.675%0.74875%0.745SS**  trans-144.3121.5145.246.10000107.2
121T22.8Very low25.4Very low131 Ų131122.5 Ų122.580%0.80474%0.743SS**  64.498.764.165.70000114.5
122D24.9Very low25.8Very low170 Ų170125.4 Ų125.491%0.90975%0.751SS**  trans-155.4159.1135.1-137-28.4000112
123S23.3Very low26.3Very low83 Ų83122 Ų12258%0.5873%0.727SS**  trans-155.5137.4-175.589.30000115.7
124P27.9Very low26.9Very low119 Ų119117.2 Ų117.277%0.77371%0.708SS**  trans-105.6137.8178.736.6-32.1000115.4
125V24.4Very low27.7Very low141 Ų141113.5 Ų113.586%0.85569%0.685SS**  trans-46.4153.9149.6-179.50000110.4
126G23.7Very low28.1Very low68 Ų68111.4 Ų111.470%0.70167%0.667SS**  cis135.5105.14.900000108.9
127A26.1Very low29Very low99 Ų99104.7 Ų104.782%0.81864%0.639SS**  trans-161.3109.6-177.900000111.6
128N25.6Very low29.9Very low126 Ų126103.9 Ų103.967%0.67464%0.635SS**  trans-126.6131.5166.7-82.4-16.5000108T1071N128-T1071 WeakPolarHBondContact OD1-CG2 3.33Å
129S26Very low31.1Very low108 Ų108102.5 Ų102.576%0.75562%0.62SS**  trans-147.3149.1164.561.10000110.7K131S129-K131 PolarHBondContact O-N 3.1Å
130S27.2Very low32.7Very low123 Ų12398.9 Ų98.986%0.8659%0.589SS**  trans-56.3128.2-167.553.80000114.1
131K32.5Very low34.3Very low137 Ų13793.8 Ų93.860%0.59655%0.554SS**  trans-131.3147.5163.4-72-162172.7-163.80111.7S129 T1039S129-K131 PolarHBondContact O-N 3.1Å; K131-T1039 HydrophobicContact CD-CG2 4.37Å
132K32.2Very low36.4Very low190 Ų19088.5 Ų88.583%0.82653%0.525SS*.  trans-80.3169.8-173.1-62.1173.3-177.6172.80111.2
133T33.7Very low38.9Very low12 Ų1281.5 Ų81.57%0.07449%0.486CS..  trans-126.8144179-38.60000107.2M742 T1038 R1068T133-M742 HydrophobicContact CG2-CE 3.99Å; T133-T1038 HydrophobicContact CG2-CG2 4.31Å; T133-R1068 PolarHBondContact OG1-NH1 3.03Å
134T35.4Very low41.3Very low55 Ų5579.7 Ų79.734%0.33747%0.471SS..  trans-132.8152.8177.925.60000109.5E1036T134-E1036 WeakPolarHBondContact O-CB 3.33Å; T134-E1036 PolarHBondContact OG1-O 3.06Å
135D41.2Very low43.4Very low37 Ų3775.2 Ų75.220%0.19844%0.441CS..  trans-100.7163.6-157.4-41-32.8000112.6L145 Y739D135-L145 VanDerWaalsContact OD2-CB 3.31Å; D135-L145 WeakPolarHBondContact OD2-CB 3.24Å; D135-L145 PolarHBondContact OD2-N 2.7Å; D135-Y739 HydrophobicContact CB-CD2 3.83Å; D135-Y739 VanDerWaalsContact CG-CD2 3.48Å; D135-Y739 WeakPolarHBondContact OD1-CD2 3.31Å; D135-Y739 WeakPolarHBondContact OD1-CE2 3.24Å
136I35.7Very low45.7Very low63 Ų6373.7 Ų73.732%0.32342%0.424SS..  trans-131.4106.2169.4-61.6161.8000108.6Y739 L1035 E1036I136-Y739 PolarHBondContact N-O 2.96Å; I136-Y739 VanDerWaalsContact N-O 3.13Å; I136-L1035 HydrophobicContact CD1-CB 4.49Å; I136-L1035 HydrophobicContact CD1-CD2 3.52Å; I136-L1035 HydrophobicContact CG1-CD2 4.31Å; I136-E1036 HydrophobicContact CD1-CB 4.48Å; I136-E1036 HydrophobicContact CD1-CG 3.45Å; I136-E1036 VanDerWaalsContact CD1-CG 3.45Å; I136-E1036 HydrophobicContact CG1-CG 3.88Å
137Q44.7Very low48.6Very low41 Ų4171.3 Ų71.319%0.19240%0.395CS..  trans-172103.6163.2-110.1157.610.600109.4C140 E828Q137-C140 HydrophobicContact CB-CB 4.4Å; Q137-E828 PolarHBondContact NE2-OE1 3.35Å
138E40.9Very low51.6Low149 Ų14966.6 Ų66.670%0.69636%0.356SS*.SBendtrans-84.7-25.5179.9-67.1177.114500112G142E138-G142 PolarHBondContact O-N 3.41Å
139D54.1Low54.6Low99 Ų9963.5 Ų63.553%0.52934%0.337SS..THydrogen-bonded Turntrans-78.4-15.9-178-62.8-59.5000115.1G141 M831D139-G141 PolarHBondContact O-N 2.67Å; D139-M831 HydrophobicContact CB-SD 4.08Å
140C56.8Low57.5Low19 Ų1964.5 Ų64.513%0.12833%0.33CS..THydrogen-bonded Turntrans-74.639.9173.4-62.80000112.2Q137 G142 W143 H216Q137-C140 HydrophobicContact CB-CB 4.4Å; C140-G142 PolarHBondContact O-N 2.92Å; C140-W143 WeakPolarHBondContact O-CB 3.27Å; C140-W143 PolarHBondContact O-N 2.89Å; C140-W143 VanDerWaalsContact O-N 3.15Å; C140-H216 WeakPolarHBondContact CB-NE2 3.25Å
141G60.4Low60.4Low0 Ų059.2 Ų59.20%029%0.292CS..THydrogen-bonded Turntrans61.526.4-178.600000114D139 W143 K226 F227D139-G141 PolarHBondContact O-N 2.67Å; G141-W143 PolarHBondContact O-N 3.06Å; G141-K226 CarbonylContact O-C 3.58Å; G141-K226 WeakPolarHBondContact O-CA 3.32Å; G141-F227 WeakPolarHBondContact O-CB 3.47Å; G141-F227 PolarHBondContact O-N 3.35Å
142G68.2Low63.1Low19 Ų1952.7 Ų52.720%0.19626%0.264CS..THydrogen-bonded Turntrans68.29.6-175.300000115.3E138 C140 N147 F227E138-G142 PolarHBondContact O-N 3.41Å; C140-G142 PolarHBondContact O-N 2.92Å; G142-N147 PolarHBondContact O-ND2 3.18Å; G142-F227 WeakPolarHBondContact O-CD1 3.41Å
143W75.9Confident65.8Low23 Ų2347.2 Ų47.29%0.08724%0.244CC..  trans-84.9128.5179.6-61.9114.1000111.5C140 G141 N147 C151 V215 H216 I224 R225 F227C140-W143 WeakPolarHBondContact O-CB 3.27Å; C140-W143 PolarHBondContact O-N 2.89Å; C140-W143 VanDerWaalsContact O-N 3.15Å; G141-W143 PolarHBondContact O-N 3.06Å; W143-N147 HydrophobicContact CE3-CB 4.5Å; W143-C151 HydrophobicContact CE3-CB 3.95Å; W143-C151 HydrophobicContact CH2-CB 3.75Å; W143-C151 VanDerWaalsContact CH2-SG 3.52Å; W143-C151 HydrophobicContact CZ2-CB 4.5Å; W143-C151 HydrophobicContact CZ3-CB 3.44Å; W143-C151 VanDerWaalsContact CZ3-CB 3.44Å; W143-V215 HydrophobicContact CB-CG1 3.63Å; W143-V215 HydrophobicContact CD2-CG1 3.54Å; W143-V215 HydrophobicContact CE3-CG1 4.02Å; W143-V215 HydrophobicContact CG-CG1 3.36Å; W143-H216 PolarHBondContact O-NE2 3.09Å; W143-I224 HydrophobicContact CZ2-CD1 4.25Å; W143-R225 WeakPolarHBondContact CZ2-O 3.46Å; W143-R225 PolarHBondContact NE1-O 3.04Å; W143-F227 HydrophobicContact CD2-CB 3.89Å; W143-F227 HydrophobicContact CE3-CB 3.88Å; W143-F227 HydrophobicContact CE3-CD2 4.13Å; W143-F227 HydrophobicContact CE3-CG 4.11Å; W143-F227 HydrophobicContact CH2-CB 3.85Å; W143-F227 AromaticContact CH2-CD2 3.64Å; W143-F227 HydrophobicContact CH2-CD2 3.64Å; W143-F227 HydrophobicContact CH2-CG 4.15Å; W143-F227 HydrophobicContact CZ2-CB 3.87Å; W143-F227 HydrophobicContact CZ2-CD2 4.48Å; W143-F227 HydrophobicContact CZ3-CB 3.84Å; W143-F227 AromaticContact CZ3-CD2 3.41Å; W143-F227 HydrophobicContact CZ3-CD2 3.41Å; W143-F227 VanDerWaalsContact CZ3-CD2 3.41Å; W143-F227 HydrophobicContact CZ3-CE2 4.19Å; W143-F227 AromaticContact CZ3-CG 3.84Å; W143-F227 HydrophobicContact CZ3-CG 3.84Å
144T73.8Confident68.4Low45 Ų4551.7 Ų51.728%0.27626%0.264SS..  trans-137.2173-169.464.70000111.7E146 N147 S148 M212T144-E146 PolarHBondContact O-N 3.2Å; T144-E146 PolarHBondContact OG1-N 3.09Å; T144-N147 PolarHBondContact N-OD1 2.92Å; T144-N147 PolarHBondContact O-N 3.05Å; T144-N147 PolarHBondContact O-OD1 3.08Å; T144-N147 VanDerWaalsContact O-OD1 3.05Å; T144-N147 PolarHBondContact OG1-OD1 2.98Å; T144-S148 PolarHBondContact N-OG 3.02Å; T144-S148 VanDerWaalsContact O-CB 3.23Å; T144-S148 WeakPolarHBondContact O-CB 3.34Å; T144-S148 PolarHBondContact O-N 2.99Å; T144-S148 PolarHBondContact O-OG 3.01Å; T144-M212 WeakPolarHBondContact CA-SD 3.47Å
145L72.6Confident71Confident25 Ų2549.7 Ų49.713%0.13125%0.251CS..THydrogen-bonded Turntrans-57.2-29.1175.1-11473.6000114.1D135 Q205 A208 C209 M212 Y739D135-L145 VanDerWaalsContact OD2-CB 3.31Å; D135-L145 WeakPolarHBondContact OD2-CB 3.24Å; D135-L145 PolarHBondContact OD2-N 2.7Å; L145-Q205 HydrophobicContact CD2-CG 4.37Å; L145-A208 HydrophobicContact CD2-CB 4.2Å; L145-A208 HydrophobicContact CG-CB 3.88Å; L145-C209 HydrophobicContact CD1-CB 4.45Å; L145-M212 HydrophobicContact CD1-CB 4.49Å; L145-M212 HydrophobicContact CD1-CE 3.46Å; L145-M212 VanDerWaalsContact CD1-CE 3.46Å; L145-M212 HydrophobicContact CD1-SD 3.89Å; L145-M212 PolarHBondContact N-SD 3.4Å; L145-M212 VanDerWaalsContact N-SD 3.38Å; L145-Y739 HydrophobicContact CD1-CD2 4.46Å; L145-Y739 HydrophobicContact CD1-CE1 4.36Å; L145-Y739 HydrophobicContact CD1-CE2 3.92Å
146E73.6Confident73.3Confident110 Ų11049.1 Ų49.151%0.51425%0.247SC..THydrogen-bonded Turntrans-81.7-35.7-175.7-68-147.313800112.9T144 K233T144-E146 PolarHBondContact O-N 3.2Å; T144-E146 PolarHBondContact OG1-N 3.09Å; E146-K233 IonicContact OE1-NZ 3.92Å; E146-K233 PolarHBondContact OE1-NZ 3.29Å; E146-K233 VanDerWaalsContact OE1-NZ 3.08Å; E146-K233 IonicContact OE2-NZ 3.46Å; E146-K233 PolarHBondContact OE2-NZ 2.81Å
147N84.1Confident75.8Confident17 Ų1753.3 Ų53.39%0.09127%0.265CS..THydrogen-bonded Turntrans-99.6-30.3-176.463.413.7000114.2G142 W143 T144 K149 Q150 C151 F227G142-N147 PolarHBondContact O-ND2 3.18Å; W143-N147 HydrophobicContact CE3-CB 4.5Å; T144-N147 PolarHBondContact N-OD1 2.92Å; T144-N147 PolarHBondContact O-N 3.05Å; T144-N147 PolarHBondContact O-OD1 3.08Å; T144-N147 VanDerWaalsContact O-OD1 3.05Å; T144-N147 PolarHBondContact OG1-OD1 2.98Å; N147-K149 VanDerWaalsContact C-N 3.29Å; N147-K149 PolarHBondContact O-N 2.74Å; N147-Q150 WeakPolarHBondContact O-CB 3.41Å; N147-Q150 PolarHBondContact O-N 3.17Å; N147-C151 PolarHBondContact O-N 3.27Å; N147-C151 VanDerWaalsContact O-N 3.15Å; N147-F227 HydrophobicContact CB-CE1 4.21Å; N147-F227 HydrophobicContact CB-CE2 4.21Å; N147-F227 HydrophobicContact CB-CZ 3.93Å; N147-F227 WeakPolarHBondContact ND2-CD1 3.16Å; N147-F227 WeakPolarHBondContact ND2-CE1 3.45Å
148S88.1Confident77.8Confident0 Ų056.4 Ų56.40%029%0.287CS..Hα-helixtrans-60.8-36.2-170-61.20000113.1T144 Q150 C151 L152 V215T144-S148 PolarHBondContact N-OG 3.02Å; T144-S148 VanDerWaalsContact O-CB 3.23Å; T144-S148 WeakPolarHBondContact O-CB 3.34Å; T144-S148 PolarHBondContact O-N 2.99Å; T144-S148 PolarHBondContact O-OG 3.01Å; S148-Q150 PolarHBondContact O-N 2.87Å; S148-C151 PolarHBondContact O-N 2.96Å; S148-L152 WeakPolarHBondContact O-CB 3.3Å; S148-L152 PolarHBondContact O-N 3.38Å; S148-V215 WeakPolarHBondContact O-CG2 3.48Å
149K88.4Confident79.9Confident62 Ų6252.6 Ų52.627%0.2727%0.267SS..Hα-helixtrans-68.1-22.6178.2-160.4167.9-170.31800113.2N147 N153 Y166 S207 A211N147-K149 VanDerWaalsContact C-N 3.29Å; N147-K149 PolarHBondContact O-N 2.74Å; K149-N153 PolarHBondContact O-N 3.27Å; K149-N153 PolarHBondContact O-ND2 2.98Å; K149-N153 PolarHBondContact O-OD1 2.7Å; K149-Y166 WeakPolarHBondContact CE-OH 3.42Å; K149-S207 PolarHBondContact NZ-OG 2.97Å; K149-A211 HydrophobicContact CB-CB 3.95Å; K149-A211 HydrophobicContact CG-CB 4.04Å
150Q87.7Confident81.4Confident129 Ų12956.2 Ų56.260%0.60328%0.278SS*.Hα-helixtrans-81-42.1172.2-176.8170.7-29.500111.3N147 S148 N153 Q154N147-Q150 WeakPolarHBondContact O-CB 3.41Å; N147-Q150 PolarHBondContact O-N 3.17Å; S148-Q150 PolarHBondContact O-N 2.87Å; Q150-N153 PolarHBondContact O-N 3.35Å; Q150-Q154 PolarHBondContact O-N 2.71Å
151C87.9Confident82.7Confident11 Ų1157.1 Ų57.17%0.07428%0.281CS..Hα-helixtrans-57.1-49.3173.1-178.20000111.9W143 N147 S148 N153 Q154 F155 V215W143-C151 HydrophobicContact CE3-CB 3.95Å; W143-C151 HydrophobicContact CH2-CB 3.75Å; W143-C151 VanDerWaalsContact CH2-SG 3.52Å; W143-C151 HydrophobicContact CZ2-CB 4.5Å; W143-C151 HydrophobicContact CZ3-CB 3.44Å; W143-C151 VanDerWaalsContact CZ3-CB 3.44Å; N147-C151 PolarHBondContact O-N 3.27Å; N147-C151 VanDerWaalsContact O-N 3.15Å; S148-C151 PolarHBondContact O-N 2.96Å; C151-N153 VanDerWaalsContact C-N 3.29Å; C151-N153 PolarHBondContact O-N 2.83Å; C151-Q154 WeakPolarHBondContact O-CB 3.41Å; C151-Q154 PolarHBondContact O-N 3.47Å; C151-Q154 VanDerWaalsContact O-N 3.07Å; C151-F155 PolarHBondContact O-N 3.31Å; C151-V215 HydrophobicContact CB-CG1 4.48Å; C151-V215 HydrophobicContact CB-CG2 4.14Å
152L90Very high83.3Confident0 Ų063 Ų630%032%0.317CS..Hα-helixtrans-60.2-38.8178.1-17463.1000112S148 F155 M156 F164 L185 A211 L214 V215S148-L152 WeakPolarHBondContact O-CB 3.3Å; S148-L152 PolarHBondContact O-N 3.38Å; L152-F155 PolarHBondContact O-N 2.73Å; L152-M156 HydrophobicContact CG-CE 4.14Å; L152-M156 HydrophobicContact CG-SD 4.37Å; L152-M156 VanDerWaalsContact O-CG 3.27Å; L152-M156 WeakPolarHBondContact O-CG 3.48Å; L152-M156 PolarHBondContact O-N 3.09Å; L152-F164 HydrophobicContact CD2-CE1 4.36Å; L152-F164 HydrophobicContact CD2-CZ 3.9Å; L152-L185 HydrophobicContact CD1-CD1 4.09Å; L152-L185 HydrophobicContact CD1-CD2 3.61Å; L152-L185 HydrophobicContact CD1-CG 4.47Å; L152-A211 HydrophobicContact CD2-CB 3.81Å; L152-L214 HydrophobicContact CD1-CB 4.25Å; L152-L214 HydrophobicContact CD1-CD1 4.34Å; L152-L214 HydrophobicContact CD2-CB 4.38Å; L152-L214 HydrophobicContact CD2-CD1 3.7Å; L152-V215 HydrophobicContact CB-CG2 4.04Å
153N89.2Confident83.7Confident75 Ų7569.2 Ų69.240%0.40135%0.346SS..Hα-helixtrans-63.7-40.4174.6-72.9-9.7000112.2K149 Q150 C151 M156 Q157K149-N153 PolarHBondContact O-N 3.27Å; K149-N153 PolarHBondContact O-ND2 2.98Å; K149-N153 PolarHBondContact O-OD1 2.7Å; Q150-N153 PolarHBondContact O-N 3.35Å; C151-N153 VanDerWaalsContact C-N 3.29Å; C151-N153 PolarHBondContact O-N 2.83Å; N153-M156 HydrophobicContact CB-CE 4.49Å; N153-M156 VanDerWaalsContact OD1-CE 3.24Å; N153-M156 WeakPolarHBondContact OD1-CE 3.36Å; N153-Q157 WeakPolarHBondContact O-CG 3.35Å; N153-Q157 PolarHBondContact O-N 3.38Å
154Q88.3Confident84.1Confident107 Ų10769.8 Ų69.850%0.535%0.349SS..Hα-helixtrans-66.2-41174.9-70.6172.1-35.300111.7Q150 C151 Q157 T158Q150-Q154 PolarHBondContact O-N 2.71Å; C151-Q154 WeakPolarHBondContact O-CB 3.41Å; C151-Q154 PolarHBondContact O-N 3.47Å; C151-Q154 VanDerWaalsContact O-N 3.07Å; Q154-Q157 PolarHBondContact O-N 2.69Å; Q154-T158 PolarHBondContact O-N 3.14Å; Q154-T158 PolarHBondContact O-OG1 3.1Å
155F89.4Confident84.6Confident13 Ų1371 Ų716%0.05736%0.363CS..Hα-helixtrans-58.9-52.6173.7-175.9-91.2000111.1C151 L152 Q157 T158 Y159 L161 L185 L218 V223 I224C151-F155 PolarHBondContact O-N 3.31Å; L152-F155 PolarHBondContact O-N 2.73Å; F155-Q157 VanDerWaalsContact C-N 3.27Å; F155-Q157 PolarHBondContact O-N 2.92Å; F155-T158 WeakPolarHBondContact O-CB 3.23Å; F155-T158 PolarHBondContact O-N 3.31Å; F155-T158 VanDerWaalsContact O-N 3.1Å; F155-Y159 HydrophobicContact CD1-CD2 4.17Å; F155-Y159 AromaticContact CD2-CD2 3.91Å; F155-Y159 HydrophobicContact CD2-CD2 3.91Å; F155-Y159 AromaticContact CD2-CE2 3.61Å; F155-Y159 HydrophobicContact CD2-CE2 3.61Å; F155-Y159 AromaticContact CE1-CD2 3.93Å; F155-Y159 HydrophobicContact CE1-CD2 3.93Å; F155-Y159 HydrophobicContact CE1-CE2 4.33Å; F155-Y159 AromaticContact CE2-CD2 3.65Å; F155-Y159 HydrophobicContact CE2-CD2 3.65Å; F155-Y159 AromaticContact CE2-CE2 3.21Å; F155-Y159 HydrophobicContact CE2-CE2 3.21Å; F155-Y159 AromaticContact CE2-CZ 3.99Å; F155-Y159 HydrophobicContact CG-CD2 4.16Å; F155-Y159 HydrophobicContact CG-CE2 4.31Å; F155-Y159 AromaticContact CZ-CD2 3.66Å; F155-Y159 HydrophobicContact CZ-CD2 3.66Å; F155-Y159 AromaticContact CZ-CE2 3.63Å; F155-Y159 HydrophobicContact CZ-CE2 3.63Å; F155-Y159 HydrophobicContact CZ-CG 4.43Å; F155-Y159 WeakPolarHBondContact O-CD2 3.25Å; F155-Y159 PolarHBondContact O-N 3.12Å; F155-L161 HydrophobicContact CD1-CD1 4.42Å; F155-L161 HydrophobicContact CE1-CD1 4.12Å; F155-L185 HydrophobicContact CD1-CD1 4.3Å; F155-L185 HydrophobicContact CD1-CD2 3.9Å; F155-L185 HydrophobicContact CD1-CG 4.45Å; F155-L185 HydrophobicContact CE1-CD1 4.35Å; F155-L185 HydrophobicContact CE1-CD2 3.75Å; F155-L185 HydrophobicContact CE1-CG 4.15Å; F155-L218 HydrophobicContact CD1-CD1 4.15Å; F155-L218 HydrophobicContact CD2-CD1 3.96Å; F155-L218 HydrophobicContact CE1-CD1 4.3Å; F155-L218 HydrophobicContact CE1-CD2 4.32Å; F155-L218 HydrophobicContact CE2-CD1 4.12Å; F155-L218 HydrophobicContact CE2-CD2 3.92Å; F155-L218 HydrophobicContact CG-CD1 3.98Å; F155-L218 HydrophobicContact CZ-CD1 4.29Å; F155-L218 HydrophobicContact CZ-CD2 3.77Å; F155-V223 HydrophobicContact CE2-CG1 3.73Å; F155-V223 HydrophobicContact CZ-CG1 4.36Å; F155-I224 HydrophobicContact CD2-CG2 4.22Å
156M89.4Confident85.2Confident25 Ų2571.5 Ų71.512%0.12336%0.364CS..Hα-helixtrans-60.5-34.2178.9-68.3-178-58.900113.2L152 N153 K160 L161 F164 L185L152-M156 HydrophobicContact CG-CE 4.14Å; L152-M156 HydrophobicContact CG-SD 4.37Å; L152-M156 VanDerWaalsContact O-CG 3.27Å; L152-M156 WeakPolarHBondContact O-CG 3.48Å; L152-M156 PolarHBondContact O-N 3.09Å; N153-M156 HydrophobicContact CB-CE 4.49Å; N153-M156 VanDerWaalsContact OD1-CE 3.24Å; N153-M156 WeakPolarHBondContact OD1-CE 3.36Å; M156-K160 CarbonylContact O-C 3.51Å; M156-K160 WeakPolarHBondContact O-CA 3.35Å; M156-K160 PolarHBondContact O-N 3.46Å; M156-L161 HydrophobicContact CB-CB 4.31Å; M156-L161 HydrophobicContact CG-CB 4.39Å; M156-L161 HydrophobicContact CG-CD1 4.47Å; M156-L161 PolarHBondContact O-N 3Å; M156-F164 HydrophobicContact CE-CD1 4.03Å; M156-F164 HydrophobicContact CE-CE1 4.33Å; M156-F164 HydrophobicContact SD-CB 3.51Å; M156-F164 VanDerWaalsContact SD-CB 3.51Å; M156-F164 HydrophobicContact SD-CD1 3.24Å; M156-F164 WeakPolarHBondContact SD-CD1 3.45Å; M156-F164 HydrophobicContact SD-CD2 3.85Å; M156-F164 HydrophobicContact SD-CE1 3.84Å; M156-F164 HydrophobicContact SD-CE2 4.36Å; M156-F164 HydrophobicContact SD-CG 3.24Å; M156-F164 WeakPolarHBondContact SD-CG 3.42Å; M156-F164 HydrophobicContact SD-CZ 4.36Å; M156-L185 HydrophobicContact CG-CD1 3.87Å; M156-L185 HydrophobicContact SD-CD1 4.35Å
157Q87.7Confident85.7Confident151 Ų15172.4 Ų72.471%0.70637%0.368SS*.Hα-helixtrans-67.6-44.6172.9-76.8178.7-12.300112.2N153 Q154 F155 Y159 K160N153-Q157 WeakPolarHBondContact O-CG 3.35Å; N153-Q157 PolarHBondContact O-N 3.38Å; Q154-Q157 PolarHBondContact O-N 2.69Å; F155-Q157 VanDerWaalsContact C-N 3.27Å; F155-Q157 PolarHBondContact O-N 2.92Å; Q157-Y159 PolarHBondContact O-N 3.45Å; Q157-K160 PolarHBondContact O-N 3.04Å
158T87.3Confident85.5Confident105 Ų10575.4 Ų75.464%0.64438%0.379SS*.Hα-helixtrans-58.5-48.1178.5-60.70000111.9Q154 F155 K160Q154-T158 PolarHBondContact O-N 3.14Å; Q154-T158 PolarHBondContact O-OG1 3.1Å; F155-T158 WeakPolarHBondContact O-CB 3.23Å; F155-T158 PolarHBondContact O-N 3.31Å; F155-T158 VanDerWaalsContact O-N 3.1Å; T158-K160 VanDerWaalsContact C-N 3.34Å
159Y86.1Confident84.7Confident70 Ų7079.5 Ų79.528%0.27540%0.397SS..THydrogen-bonded Turntrans-90.17179.6-62.4-89.3000113.9F155 Q157 L161 P188 D189F155-Y159 HydrophobicContact CD1-CD2 4.17Å; F155-Y159 AromaticContact CD2-CD2 3.91Å; F155-Y159 HydrophobicContact CD2-CD2 3.91Å; F155-Y159 AromaticContact CD2-CE2 3.61Å; F155-Y159 HydrophobicContact CD2-CE2 3.61Å; F155-Y159 AromaticContact CE1-CD2 3.93Å; F155-Y159 HydrophobicContact CE1-CD2 3.93Å; F155-Y159 HydrophobicContact CE1-CE2 4.33Å; F155-Y159 AromaticContact CE2-CD2 3.65Å; F155-Y159 HydrophobicContact CE2-CD2 3.65Å; F155-Y159 AromaticContact CE2-CE2 3.21Å; F155-Y159 HydrophobicContact CE2-CE2 3.21Å; F155-Y159 AromaticContact CE2-CZ 3.99Å; F155-Y159 HydrophobicContact CG-CD2 4.16Å; F155-Y159 HydrophobicContact CG-CE2 4.31Å; F155-Y159 AromaticContact CZ-CD2 3.66Å; F155-Y159 HydrophobicContact CZ-CD2 3.66Å; F155-Y159 AromaticContact CZ-CE2 3.63Å; F155-Y159 HydrophobicContact CZ-CE2 3.63Å; F155-Y159 HydrophobicContact CZ-CG 4.43Å; F155-Y159 WeakPolarHBondContact O-CD2 3.25Å; F155-Y159 PolarHBondContact O-N 3.12Å; Q157-Y159 PolarHBondContact O-N 3.45Å; Y159-L161 VanDerWaalsContact C-N 3.29Å; Y159-L161 PolarHBondContact O-N 3.47Å; Y159-P188 HydrophobicContact CD1-CB 4.2Å; Y159-P188 HydrophobicContact CD1-CG 3.74Å; Y159-P188 HydrophobicContact CE1-CG 4.46Å; Y159-P188 HydrophobicContact CG-CG 4.29Å; Y159-D189 WeakPolarHBondContact CE1-OD1 3.48Å; Y159-D189 WeakPolarHBondContact CE1-OD2 3.36Å; Y159-D189 PolarHBondContact OH-OD2 2.67Å
160K85.3Confident83.7Confident174 Ų17478.1 Ų78.176%0.75739%0.392SS*.THydrogen-bonded Turntrans52.838.9178.2-57.3178.3-176.9173.80114.4M156 Q157 T158 T162M156-K160 CarbonylContact O-C 3.51Å; M156-K160 WeakPolarHBondContact O-CA 3.35Å; M156-K160 PolarHBondContact O-N 3.46Å; Q157-K160 PolarHBondContact O-N 3.04Å; T158-K160 VanDerWaalsContact C-N 3.34Å; K160-T162 PolarHBondContact O-N 3.02Å
161L83.3Confident82.4Confident38 Ų3872.5 Ų72.520%0.19937%0.367CS..  trans-77.679.2-177-62.7174.6000111.4F155 M156 Y159 N163 L185 P186F155-L161 HydrophobicContact CD1-CD1 4.42Å; F155-L161 HydrophobicContact CE1-CD1 4.12Å; M156-L161 HydrophobicContact CB-CB 4.31Å; M156-L161 HydrophobicContact CG-CB 4.39Å; M156-L161 HydrophobicContact CG-CD1 4.47Å; M156-L161 PolarHBondContact O-N 3Å; Y159-L161 VanDerWaalsContact C-N 3.29Å; Y159-L161 PolarHBondContact O-N 3.47Å; L161-N163 VanDerWaalsContact C-N 3.29Å; L161-N163 PolarHBondContact O-N 3Å; L161-L185 HydrophobicContact CD1-CD1 3.72Å; L161-L185 HydrophobicContact CD1-CG 4.42Å; L161-P186 HydrophobicContact CD2-CB 4.21Å; L161-P186 HydrophobicContact CD2-CG 4.29Å
162T73.9Confident80.8Confident124 Ų12472.3 Ų72.376%0.76137%0.367SS*.THydrogen-bonded Turntrans-68.3-22-175.452.60000115.1K160K160-T162 PolarHBondContact O-N 3.02Å
163N75.4Confident78.7Confident149 Ų14973.2 Ų73.280%0.79737%0.373SS*.THydrogen-bonded Turntrans-98.89.1-168.5-62.810.9000113.4L161L161-N163 VanDerWaalsContact C-N 3.29Å; L161-N163 PolarHBondContact O-N 3Å
164F83.9Confident76.9Confident35 Ų3570.2 Ų70.215%0.15436%0.358CS..  trans-75.3128.4177.9-178.5-84.3000111.4L152 M156 Y166 A183 S184 L185 L214L152-F164 HydrophobicContact CD2-CE1 4.36Å; L152-F164 HydrophobicContact CD2-CZ 3.9Å; M156-F164 HydrophobicContact CE-CD1 4.03Å; M156-F164 HydrophobicContact CE-CE1 4.33Å; M156-F164 HydrophobicContact SD-CB 3.51Å; M156-F164 VanDerWaalsContact SD-CB 3.51Å; M156-F164 HydrophobicContact SD-CD1 3.24Å; M156-F164 WeakPolarHBondContact SD-CD1 3.45Å; M156-F164 HydrophobicContact SD-CD2 3.85Å; M156-F164 HydrophobicContact SD-CE1 3.84Å; M156-F164 HydrophobicContact SD-CE2 4.36Å; M156-F164 HydrophobicContact SD-CG 3.24Å; M156-F164 WeakPolarHBondContact SD-CG 3.42Å; M156-F164 HydrophobicContact SD-CZ 4.36Å; F164-Y166 HydrophobicContact CE1-CD2 4.16Å; F164-Y166 HydrophobicContact CE1-CE1 4.15Å; F164-Y166 AromaticContact CE1-CE2 3.7Å; F164-Y166 HydrophobicContact CE1-CE2 3.7Å; F164-Y166 AromaticContact CE1-CZ 3.69Å; F164-Y166 HydrophobicContact CZ-CE1 4.18Å; F164-A183 HydrophobicContact CE1-CB 4.27Å; F164-A183 HydrophobicContact CE2-CB 3.66Å; F164-A183 HydrophobicContact CZ-CB 3.44Å; F164-A183 VanDerWaalsContact CZ-CB 3.44Å; F164-S184 WeakPolarHBondContact CD2-O 3.49Å; F164-L185 HydrophobicContact CD2-CB 4.43Å; F164-L185 HydrophobicContact CD2-CD1 3.75Å; F164-L185 HydrophobicContact CE2-CB 4.2Å; F164-L185 HydrophobicContact CE2-CD1 4Å; F164-L214 HydrophobicContact CE2-CD1 3.81Å; F164-L214 HydrophobicContact CZ-CD1 3.77Å
165A84.2Confident75.2Confident70 Ų7071 Ų7158%0.57936%0.361SS*.  trans-140.2158174.500000110.7A183A165-A183 WeakPolarHBondContact O-CB 3.22Å
166Y86.7Confident73.6Confident37 Ų3774.6 Ų74.615%0.14537%0.374CS..  trans-97.1117.7167.8-60.6-89.7000108.7K149 F164 Y168 A181 E182 A183 S207 C210K149-Y166 WeakPolarHBondContact CE-OH 3.42Å; F164-Y166 HydrophobicContact CE1-CD2 4.16Å; F164-Y166 HydrophobicContact CE1-CE1 4.15Å; F164-Y166 AromaticContact CE1-CE2 3.7Å; F164-Y166 HydrophobicContact CE1-CE2 3.7Å; F164-Y166 AromaticContact CE1-CZ 3.69Å; F164-Y166 HydrophobicContact CZ-CE1 4.18Å; Y166-Y168 WeakPolarHBondContact O-CD2 3.27Å; Y166-Y168 WeakPolarHBondContact O-CE2 3.29Å; Y166-A181 HydrophobicContact CD1-CB 4.36Å; Y166-E182 WeakPolarHBondContact CA-O 3.45Å; Y166-A183 HydrophobicContact CD1-CB 4.1Å; Y166-A183 HydrophobicContact CE1-CB 4.48Å; Y166-S207 WeakPolarHBondContact CE1-O 3.45Å; Y166-C210 HydrophobicContact CD1-CB 4.22Å; Y166-C210 HydrophobicContact CE1-CB 4.05Å
167E84Confident72.3Confident128 Ų12874.6 Ų74.660%0.59838%0.375SS*.EExtended strand (participates in β ladder)trans-76.4134.2165.7-65.5-164.9167.400109.4A181 E182E167-A181 CarbonylContact O-C 3.58Å; E167-A181 VanDerWaalsContact O-CA 3.25Å; E167-A181 WeakPolarHBondContact O-CA 3.21Å; E167-E182 PolarHBondContact N-O 2.87Å; E167-E182 PolarHBondContact O-N 2.92Å
168Y79.1Confident71.2Confident80 Ų8068 Ų6831%0.31434%0.344SS..EExtended strand (participates in β ladder)trans-113.9125.8-179.7-66.5-83.2000111.6Y166 V180 A181 K203 S207Y166-Y168 WeakPolarHBondContact O-CD2 3.27Å; Y166-Y168 WeakPolarHBondContact O-CE2 3.29Å; Y168-V180 VanDerWaalsContact CA-O 3.28Å; Y168-V180 WeakPolarHBondContact CA-O 3.38Å; Y168-A181 HydrophobicContact CD1-CB 3.87Å; Y168-A181 HydrophobicContact CE1-CB 3.69Å; Y168-K203 HydrophobicContact CD1-CB 3.97Å; Y168-K203 HydrophobicContact CD1-CD 4.29Å; Y168-K203 HydrophobicContact CD1-CG 3.77Å; Y168-K203 HydrophobicContact CD2-CD 4.32Å; Y168-K203 HydrophobicContact CE1-CB 3.57Å; Y168-K203 HydrophobicContact CE1-CD 4.46Å; Y168-K203 HydrophobicContact CE1-CG 3.91Å; Y168-K203 WeakPolarHBondContact CE1-O 3.41Å; Y168-K203 HydrophobicContact CE2-CD 4.5Å; Y168-K203 HydrophobicContact CG-CD 4.2Å; Y168-K203 HydrophobicContact CG-CG 4.16Å; Y168-S207 VanDerWaalsContact OH-CB 3.29Å; Y168-S207 WeakPolarHBondContact OH-CB 3.37Å; Y168-S207 PolarHBondContact OH-OG 2.84Å
169K72Confident70.5Confident86 Ų8664.5 Ų64.537%0.37432%0.32SS..EExtended strand (participates in β ladder)trans-117149174.6-61170.1-175.6168.80109.2F179 V180 E182K169-F179 WeakPolarHBondContact O-CA 3.34Å; K169-V180 HydrophobicContact CB-CB 4.3Å; K169-V180 PolarHBondContact N-O 2.85Å; K169-V180 PolarHBondContact O-N 3.29Å; K169-E182 WeakPolarHBondContact CE-OE2 3.45Å; K169-E182 IonicContact NZ-OE1 3.05Å; K169-E182 IonicContact NZ-OE2 2.77Å; K169-E182 PolarHBondContact NZ-OE2 3.43Å
170L66.7Low70Confident34 Ų3461.7 Ų61.718%0.17831%0.31CS..EExtended strand (participates in β ladder)trans-108.4144.3-179.7-152.673.7000110.7L177 F179 V574L170-L177 HydrophobicContact CD2-CD1 4.15Å; L170-L177 HydrophobicContact CD2-CD2 3.82Å; L170-L177 HydrophobicContact CD2-CG 4.4Å; L170-L177 HydrophobicContact CG-CD2 4.1Å; L170-F179 HydrophobicContact CD1-CD1 3.55Å; L170-F179 HydrophobicContact CD1-CD2 4.16Å; L170-F179 HydrophobicContact CD1-CE1 3.43Å; L170-F179 VanDerWaalsContact CD1-CE1 3.43Å; L170-F179 HydrophobicContact CD1-CE2 4.06Å; L170-F179 HydrophobicContact CD1-CG 3.93Å; L170-F179 HydrophobicContact CD1-CZ 3.71Å; L170-V574 HydrophobicContact CB-CG1 4.04Å; L170-V574 HydrophobicContact CB-CG2 3.81Å; L170-V574 HydrophobicContact CD1-CG2 4.41Å; L170-V574 HydrophobicContact CD2-CB 4.31Å; L170-V574 HydrophobicContact CD2-CG1 4.15Å; L170-V574 HydrophobicContact CD2-CG2 4.09Å; L170-V574 HydrophobicContact CG-CG2 4.33Å
171S61.5Low69.8Low11 Ų1153.4 Ų53.48%0.07727%0.274CS..EExtended strand (participates in β ladder)trans-150.2153.1-179.6-158.20000111.9E178 V746 T747 T748S171-E178 PolarHBondContact N-O 3.26Å; S171-E178 PolarHBondContact O-N 2.71Å; S171-V746 VanDerWaalsContact OG-CG1 3.25Å; S171-V746 WeakPolarHBondContact OG-CG1 3.49Å; S171-T747 PolarHBondContact OG-O 2.93Å; S171-T748 WeakPolarHBondContact OG-CA 3.28Å; S171-T748 VanDerWaalsContact OG-CG2 3.31Å; S171-T748 WeakPolarHBondContact OG-CG2 3.43Å
172G52.6Low69.9Low7 Ų754.4 Ų54.47%0.07228%0.277CS..SBendtrans112.4165.2179.300000112.6N599 T747G172-N599 WeakPolarHBondContact O-CB 3.23Å; G172-N599 PolarHBondContact O-OD1 3.48Å; G172-T747 WeakPolarHBondContact CA-O 3.12Å; G172-T747 PolarHBondContact N-O 2.93Å
173P47.3Very low70.5Confident18 Ų1848.9 Ų48.912%0.11725%0.245CC..  trans-67.6157.7164.928.9-27.1000110H175 R176 L177 D600P173-H175 VanDerWaalsContact C-N 3.35Å; P173-H175 PolarHBondContact O-N 3.27Å; P173-R176 HydrophobicContact CG-CB 3.99Å; P173-R176 CarbonylContact O-C 3.58Å; P173-R176 WeakPolarHBondContact O-CA 3.32Å; P173-R176 PolarHBondContact O-N 2.86Å; P173-L177 PolarHBondContact O-N 3.03Å; P173-D600 WeakPolarHBondContact CA-OD1 3.41Å; P173-D600 WeakPolarHBondContact CB-OD1 3.29Å
174S50Low71Confident13 Ų1345.2 Ų45.29%0.09123%0.23CC..G310 helixtrans-62.3-41.2-166.569.30000112.9R176 L177 D565 D600S174-R176 PolarHBondContact O-N 2.91Å; S174-L177 WeakPolarHBondContact O-CG 3.45Å; S174-D565 VanDerWaalsContact CB-OD1 3.22Å; S174-D565 WeakPolarHBondContact CB-OD1 3.42Å; S174-D565 WeakPolarHBondContact CB-OD2 3.29Å; S174-D565 VanDerWaalsContact OG-CG 3.3Å; S174-D565 PolarHBondContact OG-OD1 2.94Å; S174-D565 PolarHBondContact OG-OD2 3.38Å; S174-D600 PolarHBondContact N-OD1 2.81Å
175H54.5Low71.3Confident123 Ų12343.5 Ų43.557%0.56922%0.223SC*.G310 helixtrans-64.1817168.5-96.3000114.9P173 D600P173-H175 VanDerWaalsContact C-N 3.35Å; P173-H175 PolarHBondContact O-N 3.27Å; H175-D600 IonicContact CE1-OD2 2.92Å; H175-D600 PolarHBondContact CE1-OD2 2.91Å; H175-D600 IonicContact ND1-OD1 3.22Å; H175-D600 IonicContact ND1-OD2 2.69Å; H175-D600 PolarHBondContact ND1-OD2 3.25Å
176R55.3Low71.4Confident88 Ų8842.9 Ų42.933%0.33221%0.213SC..G310 helixtrans-167.458.6-172-169.7-165.2-60.9-136.9-4112.7P173 S174 T1069P173-R176 HydrophobicContact CG-CB 3.99Å; P173-R176 CarbonylContact O-C 3.58Å; P173-R176 WeakPolarHBondContact O-CA 3.32Å; P173-R176 PolarHBondContact O-N 2.86Å; S174-R176 PolarHBondContact O-N 2.91Å; R176-T1069 WeakPolarHBondContact CD-O 3.48Å; R176-T1069 WeakPolarHBondContact CG-O 3.18Å; R176-T1069 VanDerWaalsContact CZ-O 3.27Å; R176-T1069 PolarHBondContact NE-O 2.93Å; R176-T1069 PolarHBondContact NH1-O 3.49Å
177L60.9Low71.5Confident25 Ų2541.1 Ų41.113%0.13121%0.206CC..  trans-81.7136.3-179.4-65.8163.2000112.8L170 P173 S174 I568L170-L177 HydrophobicContact CD2-CD1 4.15Å; L170-L177 HydrophobicContact CD2-CD2 3.82Å; L170-L177 HydrophobicContact CD2-CG 4.4Å; L170-L177 HydrophobicContact CG-CD2 4.1Å; P173-L177 PolarHBondContact O-N 3.03Å; S174-L177 WeakPolarHBondContact O-CG 3.45Å; L177-I568 HydrophobicContact CD1-CG2 3.6Å
178E66Low71.4Confident14 Ų1438.1 Ų38.17%0.06520%0.198CC..EExtended strand (participates in β ladder)trans-116.6145.4169.8-72.6-177-178.700109.8S171 F201 H744 V746S171-E178 PolarHBondContact N-O 3.26Å; S171-E178 PolarHBondContact O-N 2.71Å; E178-F201 HydrophobicContact CG-CD1 4.22Å; E178-F201 HydrophobicContact CG-CD2 4.2Å; E178-F201 HydrophobicContact CG-CE1 3.79Å; E178-F201 HydrophobicContact CG-CE2 3.7Å; E178-F201 HydrophobicContact CG-CG 4.42Å; E178-F201 HydrophobicContact CG-CZ 3.5Å; E178-F201 VanDerWaalsContact OE1-CE2 3.3Å; E178-F201 WeakPolarHBondContact OE1-CE2 3.37Å; E178-F201 WeakPolarHBondContact OE1-CZ 3.49Å; E178-H744 IonicContact OE1-CD2 3.98Å; E178-H744 IonicContact OE2-CD2 2.76Å; E178-V746 WeakPolarHBondContact OE2-CG2 3.38Å
179F72.3Confident71.6Confident30 Ų3039.2 Ų39.213%0.13221%0.209CC..EExtended strand (participates in β ladder)trans-98.7136.5169.1-63.5-98.8000109.2K169 L170 K199 G200 S202 K203 A206 A572K169-F179 WeakPolarHBondContact O-CA 3.34Å; L170-F179 HydrophobicContact CD1-CD1 3.55Å; L170-F179 HydrophobicContact CD1-CD2 4.16Å; L170-F179 HydrophobicContact CD1-CE1 3.43Å; L170-F179 VanDerWaalsContact CD1-CE1 3.43Å; L170-F179 HydrophobicContact CD1-CE2 4.06Å; L170-F179 HydrophobicContact CD1-CG 3.93Å; L170-F179 HydrophobicContact CD1-CZ 3.71Å; F179-K199 CarbonylContact O-C 3.52Å; F179-K199 WeakPolarHBondContact O-CA 3.36Å; F179-G200 WeakPolarHBondContact CA-O 3.37Å; F179-G200 WeakPolarHBondContact CB-O 3.15Å; F179-G200 PolarHBondContact N-O 2.99Å; F179-G200 PolarHBondContact O-N 2.71Å; F179-S202 VanDerWaalsContact CD2-CA 3.43Å; F179-K203 HydrophobicContact CD1-CD 4.44Å; F179-K203 HydrophobicContact CD1-CG 3.47Å; F179-K203 VanDerWaalsContact CD1-CG 3.47Å; F179-K203 HydrophobicContact CE1-CD 4.3Å; F179-K203 HydrophobicContact CE1-CG 3.64Å; F179-K203 HydrophobicContact CG-CG 4.11Å; F179-K203 HydrophobicContact CZ-CG 4.39Å; F179-A206 HydrophobicContact CB-CB 3.97Å; F179-A206 VanDerWaalsContact O-CB 3.3Å; F179-A206 WeakPolarHBondContact O-CB 3.38Å; F179-A572 HydrophobicContact CE1-CB 3.98Å; F179-A572 HydrophobicContact CZ-CB 4.2Å
180V74.1Confident72.1Confident11 Ų1138.8 Ų38.87%0.06721%0.211CC..EExtended strand (participates in β ladder)trans-99.7141.9160.4-175.30000107.4Y168 K169 E182 G198 K199Y168-V180 VanDerWaalsContact CA-O 3.28Å; Y168-V180 WeakPolarHBondContact CA-O 3.38Å; K169-V180 HydrophobicContact CB-CB 4.3Å; K169-V180 PolarHBondContact N-O 2.85Å; K169-V180 PolarHBondContact O-N 3.29Å; V180-E182 HydrophobicContact CG1-CG 4.11Å; V180-E182 VanDerWaalsContact CG1-OE1 3.22Å; V180-E182 WeakPolarHBondContact CG1-OE1 3.42Å; V180-G198 CarbonylContact C-O 3.59Å; V180-G198 WeakPolarHBondContact CA-O 3.41Å; V180-K199 HydrophobicContact CB-CG 4.41Å; V180-K199 HydrophobicContact CG1-CD 4.48Å; V180-K199 HydrophobicContact CG1-CG 4.05Å; V180-K199 HydrophobicContact CG2-CD 4.25Å; V180-K199 HydrophobicContact CG2-CG 4.09Å
181A82.9Confident72.9Confident0 Ų044.6 Ų44.60%024%0.242CC..EExtended strand (participates in β ladder)trans-124123.617000000108.3Y166 E167 Y168 S197 G198 A206 C210Y166-A181 HydrophobicContact CD1-CB 4.36Å; E167-A181 CarbonylContact O-C 3.58Å; E167-A181 VanDerWaalsContact O-CA 3.25Å; E167-A181 WeakPolarHBondContact O-CA 3.21Å; Y168-A181 HydrophobicContact CD1-CB 3.87Å; Y168-A181 HydrophobicContact CE1-CB 3.69Å; A181-S197 CarbonylContact O-C 3.56Å; A181-S197 WeakPolarHBondContact O-CA 3.39Å; A181-G198 PolarHBondContact N-O 3.25Å; A181-G198 PolarHBondContact O-N 3.3Å; A181-A206 HydrophobicContact CB-CB 3.78Å; A181-C210 HydrophobicContact CB-CB 4.28Å
182E84.1Confident74Confident59 Ų5948.2 Ų48.228%0.27626%0.259SS..EExtended strand (participates in β ladder)trans-117140.7179.1-78.4154.6-135.700109.6Y166 E167 K169 V180Y166-E182 WeakPolarHBondContact CA-O 3.45Å; E167-E182 PolarHBondContact N-O 2.87Å; E167-E182 PolarHBondContact O-N 2.92Å; K169-E182 WeakPolarHBondContact CE-OE2 3.45Å; K169-E182 IonicContact NZ-OE1 3.05Å; K169-E182 IonicContact NZ-OE2 2.77Å; K169-E182 PolarHBondContact NZ-OE2 3.43Å; V180-E182 HydrophobicContact CG1-CG 4.11Å; V180-E182 VanDerWaalsContact CG1-OE1 3.22Å; V180-E182 WeakPolarHBondContact CG1-OE1 3.42Å
183A87.6Confident75.5Confident9 Ų952 Ų527%0.07428%0.281CS..EExtended strand (participates in β ladder)trans-155.7151176.400000111.9F164 A165 Y166 A196 L214F164-A183 HydrophobicContact CE1-CB 4.27Å; F164-A183 HydrophobicContact CE2-CB 3.66Å; F164-A183 HydrophobicContact CZ-CB 3.44Å; F164-A183 VanDerWaalsContact CZ-CB 3.44Å; A165-A183 WeakPolarHBondContact O-CB 3.22Å; Y166-A183 HydrophobicContact CD1-CB 4.1Å; Y166-A183 HydrophobicContact CE1-CB 4.48Å; A183-A196 PolarHBondContact N-O 2.86Å; A183-A196 VanDerWaalsContact N-O 3.08Å; A183-A196 PolarHBondContact O-N 3.38Å; A183-L214 HydrophobicContact CB-CD1 4.4Å
184S86.4Confident77.2Confident71 Ų7151.7 Ų51.750%0.49728%0.278SS..EExtended strand (participates in β ladder)trans-122.2137.3176-53.80000109.7F164 I194 S195F164-S184 WeakPolarHBondContact CD2-O 3.49Å; S184-I194 CarbonylContact C-O 3.47Å; S184-I194 WeakPolarHBondContact CA-O 3.5Å; S184-S195 PolarHBondContact OG-OG 3.39Å
185L88.9Confident78.8Confident0 Ų054 Ų540%029%0.294CS..EExtended strand (participates in β ladder)trans-126.6115.2-173.5-174.676.3000110.2L152 F155 M156 L161 F164 T193 I194 L214 L218L152-L185 HydrophobicContact CD1-CD1 4.09Å; L152-L185 HydrophobicContact CD1-CD2 3.61Å; L152-L185 HydrophobicContact CD1-CG 4.47Å; F155-L185 HydrophobicContact CD1-CD1 4.3Å; F155-L185 HydrophobicContact CD1-CD2 3.9Å; F155-L185 HydrophobicContact CD1-CG 4.45Å; F155-L185 HydrophobicContact CE1-CD1 4.35Å; F155-L185 HydrophobicContact CE1-CD2 3.75Å; F155-L185 HydrophobicContact CE1-CG 4.15Å; M156-L185 HydrophobicContact CG-CD1 3.87Å; M156-L185 HydrophobicContact SD-CD1 4.35Å; L161-L185 HydrophobicContact CD1-CD1 3.72Å; L161-L185 HydrophobicContact CD1-CG 4.42Å; F164-L185 HydrophobicContact CD2-CB 4.43Å; F164-L185 HydrophobicContact CD2-CD1 3.75Å; F164-L185 HydrophobicContact CE2-CB 4.2Å; F164-L185 HydrophobicContact CE2-CD1 4Å; L185-T193 WeakPolarHBondContact O-CA 3.31Å; L185-I194 HydrophobicContact CB-CG1 4Å; L185-I194 HydrophobicContact CD2-CD1 4.18Å; L185-I194 HydrophobicContact CD2-CG1 4.38Å; L185-I194 PolarHBondContact N-O 2.96Å; L185-I194 PolarHBondContact O-N 3.43Å; L185-L214 HydrophobicContact CB-CD1 4.49Å; L185-L214 HydrophobicContact CB-CD2 4.11Å; L185-L218 HydrophobicContact CD2-CD1 3.87Å; L185-L218 HydrophobicContact CD2-CD2 4.41Å; L185-L218 HydrophobicContact CD2-CG 4.36Å
186P87.6Confident80.1Confident57 Ų5748.8 Ų48.837%0.3727%0.272SS..EExtended strand (participates in β ladder)trans-62.7138167.7-21.633.9000111L161L161-P186 HydrophobicContact CD2-CB 4.21Å; L161-P186 HydrophobicContact CD2-CG 4.29Å
187V87.2Confident81.2Confident0 Ų046.7 Ų46.70%027%0.271CS..EExtended strand (participates in β ladder)trans-119.189.6176.5-173.80000107.6D189 L190 N191 M192 I194 L218 V223V187-D189 VanDerWaalsContact C-N 3.33Å; V187-D189 PolarHBondContact O-N 3.39Å; V187-L190 HydrophobicContact CG1-CB 4.2Å; V187-L190 HydrophobicContact CG1-CD1 4.22Å; V187-L190 HydrophobicContact CG1-CG 4.28Å; V187-L190 PolarHBondContact O-N 3.02Å; V187-N191 PolarHBondContact O-N 3.24Å; V187-N191 VanDerWaalsContact O-N 3.15Å; V187-M192 HydrophobicContact CB-CG 4.24Å; V187-M192 PolarHBondContact N-O 2.93Å; V187-M192 PolarHBondContact O-N 3.19Å; V187-I194 HydrophobicContact CG2-CD1 4.06Å; V187-I194 HydrophobicContact CG2-CG1 3.84Å; V187-I194 HydrophobicContact CG2-CG2 4.07Å; V187-L218 HydrophobicContact CG1-CD2 4.18Å; V187-L218 HydrophobicContact CG2-CD2 3.86Å; V187-V223 HydrophobicContact CG1-CG1 4.39Å; V187-V223 HydrophobicContact CG1-CG2 4.06Å
188P83.3Confident81.7Confident64 Ų6445.7 Ų45.742%0.41627%0.266SS..G310 helixtrans-60.1-39.6-168.1-28.438.3000113.9Y159 L190 N191Y159-P188 HydrophobicContact CD1-CB 4.2Å; Y159-P188 HydrophobicContact CD1-CG 3.74Å; Y159-P188 HydrophobicContact CE1-CG 4.46Å; Y159-P188 HydrophobicContact CG-CG 4.29Å; P188-L190 PolarHBondContact O-N 3.46Å; P188-L190 VanDerWaalsContact O-N 3.15Å; P188-N191 PolarHBondContact O-N 3.5Å
189D83.2Confident81.9Confident104 Ų10446.9 Ų46.956%0.55627%0.271SS*.G310 helixtrans-65.1-19.6-176.5-57.9-18.9000113.6Y159 V187Y159-D189 WeakPolarHBondContact CE1-OD1 3.48Å; Y159-D189 WeakPolarHBondContact CE1-OD2 3.36Å; Y159-D189 PolarHBondContact OH-OD2 2.67Å; V187-D189 VanDerWaalsContact C-N 3.33Å; V187-D189 PolarHBondContact O-N 3.39Å
190L82.1Confident81.6Confident77 Ų7745.6 Ų45.640%0.40327%0.266SS..G310 helixtrans-113.54.6177.1-61.9179.1000112.7V187 P188 M192 L221 V223V187-L190 HydrophobicContact CG1-CB 4.2Å; V187-L190 HydrophobicContact CG1-CD1 4.22Å; V187-L190 HydrophobicContact CG1-CG 4.28Å; V187-L190 PolarHBondContact O-N 3.02Å; P188-L190 PolarHBondContact O-N 3.46Å; P188-L190 VanDerWaalsContact O-N 3.15Å; L190-M192 HydrophobicContact CB-CG 3.85Å; L190-M192 HydrophobicContact CB-SD 4.38Å; L190-M192 PolarHBondContact O-N 3.42Å; L190-M192 VanDerWaalsContact O-N 3.16Å; L190-L221 HydrophobicContact CD1-CB 3.92Å; L190-L221 HydrophobicContact CD1-CD1 4.2Å; L190-L221 HydrophobicContact CD1-CD2 4.22Å; L190-L221 HydrophobicContact CD1-CG 4.34Å; L190-V223 HydrophobicContact CD1-CG2 3.77Å; L190-V223 HydrophobicContact CG-CG2 4.41Å
191N82.7Confident81Confident156 Ų15648 Ų4883%0.83428%0.276SS*.THydrogen-bonded Turntrans4542.7-177.1-166.340.2000114.2V187 P188V187-N191 PolarHBondContact O-N 3.24Å; V187-N191 VanDerWaalsContact O-N 3.15Å; P188-N191 PolarHBondContact O-N 3.5Å
192M84.3Confident80.6Confident87 Ų8750.4 Ų50.443%0.42929%0.293SS..EExtended strand (participates in β ladder)trans-134.9171.6-179.762.5164.157.600111.7V187 L190 I194 L221V187-M192 HydrophobicContact CB-CG 4.24Å; V187-M192 PolarHBondContact N-O 2.93Å; V187-M192 PolarHBondContact O-N 3.19Å; L190-M192 HydrophobicContact CB-CG 3.85Å; L190-M192 HydrophobicContact CB-SD 4.38Å; L190-M192 PolarHBondContact O-N 3.42Å; L190-M192 VanDerWaalsContact O-N 3.16Å; M192-I194 HydrophobicContact SD-CG2 4.09Å; M192-L221 HydrophobicContact SD-CD1 4.15Å
193T83.9Confident80.2Confident87 Ų8750.5 Ų50.553%0.53429%0.292SS..EExtended strand (participates in β ladder)trans-122.7124.5170.9-62.70000108.4L185L185-T193 WeakPolarHBondContact O-CA 3.31Å
194I84Confident79.9Confident11 Ų1158.3 Ų58.36%0.05632%0.324CS..EExtended strand (participates in β ladder)trans-96.1154.7172.864.2171.6000109.9S184 L185 V187 M192 L214 Q217 L218 L221S184-I194 CarbonylContact C-O 3.47Å; S184-I194 WeakPolarHBondContact CA-O 3.5Å; L185-I194 HydrophobicContact CB-CG1 4Å; L185-I194 HydrophobicContact CD2-CD1 4.18Å; L185-I194 HydrophobicContact CD2-CG1 4.38Å; L185-I194 PolarHBondContact N-O 2.96Å; L185-I194 PolarHBondContact O-N 3.43Å; V187-I194 HydrophobicContact CG2-CD1 4.06Å; V187-I194 HydrophobicContact CG2-CG1 3.84Å; V187-I194 HydrophobicContact CG2-CG2 4.07Å; M192-I194 HydrophobicContact SD-CG2 4.09Å; I194-L214 HydrophobicContact CD1-CD2 4.09Å; I194-L214 HydrophobicContact CG1-CD2 3.97Å; I194-Q217 HydrophobicContact CD1-CB 3.92Å; I194-L218 HydrophobicContact CD1-CD2 4.03Å; I194-L218 HydrophobicContact CD1-CG 3.9Å; I194-L221 HydrophobicContact CG2-CD1 3.87Å
195S83.5Confident79.5Confident62 Ų6256.5 Ų56.543%0.43431%0.308SS..EExtended strand (participates in β ladder)trans-137.8148.8-176.4-56.70000111S184 Q217S184-S195 PolarHBondContact OG-OG 3.39Å; S195-Q217 PolarHBondContact O-NE2 3.38Å
196A82Confident79Confident13 Ų1356.5 Ų56.511%0.10731%0.308CS..EExtended strand (participates in β ladder)trans-146.1150.8175.600000112.5A183 C210 L214A183-A196 PolarHBondContact N-O 2.86Å; A183-A196 VanDerWaalsContact N-O 3.08Å; A183-A196 PolarHBondContact O-N 3.38Å; A196-C210 PolarHBondContact O-SG 2.9Å; A196-L214 HydrophobicContact CB-CD2 3.79Å; A196-L214 HydrophobicContact CB-CG 3.73Å
197S77.8Confident79Confident44 Ų4453.9 Ų53.931%0.30829%0.291SS..EExtended strand (participates in β ladder)trans-116.9140.1163.173.80000110.4A181 K199A181-S197 CarbonylContact O-C 3.56Å; A181-S197 WeakPolarHBondContact O-CA 3.39Å; S197-K199 PolarHBondContact OG-NZ 2.57Å
198G71.2Confident79Confident3 Ų354.4 Ų54.43%0.03130%0.295CS..EExtended strand (participates in β ladder)trans-128.4143.2176.500000110.8V180 A181 A206V180-G198 CarbonylContact C-O 3.59Å; V180-G198 WeakPolarHBondContact CA-O 3.41Å; A181-G198 PolarHBondContact N-O 3.25Å; A181-G198 PolarHBondContact O-N 3.3Å; G198-A206 CarbonylContact C-O 3.39Å; G198-A206 VanDerWaalsContact C-O 3.3Å; G198-A206 WeakPolarHBondContact CA-O 3.41Å
199K70.2Confident78.8Confident39 Ų3951.8 Ų51.817%0.1728%0.279CS..EExtended strand (participates in β ladder)trans-132.1140.4-165.5-57.2-176.7169.797.50109.6F179 V180 S197 C209 K735 E787F179-K199 CarbonylContact O-C 3.52Å; F179-K199 WeakPolarHBondContact O-CA 3.36Å; V180-K199 HydrophobicContact CB-CG 4.41Å; V180-K199 HydrophobicContact CG1-CD 4.48Å; V180-K199 HydrophobicContact CG1-CG 4.05Å; V180-K199 HydrophobicContact CG2-CD 4.25Å; V180-K199 HydrophobicContact CG2-CG 4.09Å; S197-K199 PolarHBondContact OG-NZ 2.57Å; K199-C209 PolarHBondContact O-SG 3.25Å; K199-C209 VanDerWaalsContact O-SG 3.34Å; K199-K735 HydrophobicContact CD-CD 3.95Å; K199-E787 IonicContact NZ-OE1 2.87Å
200G65.7Low79Confident3 Ų346.8 Ų46.83%0.03125%0.252CS..EExtended strand (participates in β ladder)trans174.5167.3-175.700000115.8F179 S202F179-G200 WeakPolarHBondContact CA-O 3.37Å; F179-G200 WeakPolarHBondContact CB-O 3.15Å; F179-G200 PolarHBondContact N-O 2.99Å; F179-G200 PolarHBondContact O-N 2.71Å; G200-S202 PolarHBondContact O-N 3.12Å
201F63.5Low79.4Confident63 Ų6343.1 Ų43.128%0.27623%0.233SC..SBendtrans-82.316.4-166.6-69.6-105.7000113.7E178 R1068E178-F201 HydrophobicContact CG-CD1 4.22Å; E178-F201 HydrophobicContact CG-CD2 4.2Å; E178-F201 HydrophobicContact CG-CE1 3.79Å; E178-F201 HydrophobicContact CG-CE2 3.7Å; E178-F201 HydrophobicContact CG-CG 4.42Å; E178-F201 HydrophobicContact CG-CZ 3.5Å; E178-F201 VanDerWaalsContact OE1-CE2 3.3Å; E178-F201 WeakPolarHBondContact OE1-CE2 3.37Å; E178-F201 WeakPolarHBondContact OE1-CZ 3.49Å; F201-R1068 VanDerWaalsContact CD2-CZ 3.45Å; F201-R1068 HydrophobicContact CE2-CG 4.42Å; F201-R1068 HydrophobicContact CZ-CG 4.17Å; F201-R1068 VanDerWaalsContact CZ-NE 3.27Å
202S73.2Confident79.6Confident50 Ų5035.9 Ų35.935%0.3519%0.194SC..SBendtrans-163.4153.5171.8590000108.4F179 G200 K204 Q205 A206F179-S202 VanDerWaalsContact CD2-CA 3.43Å; G200-S202 PolarHBondContact O-N 3.12Å; S202-K204 PolarHBondContact O-N 3.09Å; S202-K204 VanDerWaalsContact O-N 3.1Å; S202-Q205 PolarHBondContact O-N 2.75Å; S202-Q205 PolarHBondContact OG-N 2.96Å; S202-A206 PolarHBondContact O-N 2.88Å
203K76.9Confident79.5Confident60 Ų6032.9 Ų32.926%0.26118%0.181SC..Hα-helixtrans-50.1-35.5171.5-64.8-174.5179.5177.80112.6Y168 F179 S207 A572Y168-K203 HydrophobicContact CD1-CB 3.97Å; Y168-K203 HydrophobicContact CD1-CD 4.29Å; Y168-K203 HydrophobicContact CD1-CG 3.77Å; Y168-K203 HydrophobicContact CD2-CD 4.32Å; Y168-K203 HydrophobicContact CE1-CB 3.57Å; Y168-K203 HydrophobicContact CE1-CD 4.46Å; Y168-K203 HydrophobicContact CE1-CG 3.91Å; Y168-K203 WeakPolarHBondContact CE1-O 3.41Å; Y168-K203 HydrophobicContact CE2-CD 4.5Å; Y168-K203 HydrophobicContact CG-CD 4.2Å; Y168-K203 HydrophobicContact CG-CG 4.16Å; F179-K203 HydrophobicContact CD1-CD 4.44Å; F179-K203 HydrophobicContact CD1-CG 3.47Å; F179-K203 VanDerWaalsContact CD1-CG 3.47Å; F179-K203 HydrophobicContact CE1-CD 4.3Å; F179-K203 HydrophobicContact CE1-CG 3.64Å; F179-K203 HydrophobicContact CG-CG 4.11Å; F179-K203 HydrophobicContact CZ-CG 4.39Å; K203-S207 WeakPolarHBondContact O-CB 3.46Å; K203-S207 PolarHBondContact O-N 2.88Å; K203-S207 VanDerWaalsContact O-N 3.08Å; K203-S207 PolarHBondContact O-OG 3.4Å; K203-A572 WeakPolarHBondContact CE-O 3.41Å; K203-A572 PolarHBondContact NZ-O 3.14Å
204K81.2Confident79.7Confident173 Ų17328.7 Ų28.775%0.75216%0.156SC*.Hα-helixtrans-65.3-42.5176.2-177.5167.6-178.3167.10112.9S202 A208S202-K204 PolarHBondContact O-N 3.09Å; S202-K204 VanDerWaalsContact O-N 3.1Å; K204-A208 WeakPolarHBondContact O-CB 3.33Å; K204-A208 PolarHBondContact O-N 3.09Å
205Q76.7Confident80Confident34 Ų3428.2 Ų28.216%0.15915%0.153CC..Hα-helixtrans-70.4-51.2176.9-172171.226.600110.6L145 S202 S207 A208 C209L145-Q205 HydrophobicContact CD2-CG 4.37Å; S202-Q205 PolarHBondContact O-N 2.75Å; S202-Q205 PolarHBondContact OG-N 2.96Å; Q205-S207 VanDerWaalsContact C-N 3.34Å; Q205-S207 PolarHBondContact O-N 3.26Å; Q205-A208 WeakPolarHBondContact O-CB 3.37Å; Q205-A208 PolarHBondContact O-N 2.88Å; Q205-C209 PolarHBondContact O-N 3.04Å; Q205-C209 PolarHBondContact O-SG 3.35Å
206A78.3Confident80Confident0 Ų025.7 Ų25.70%014%0.135CC..Hα-helixtrans-54.3-47.6-177.800000112.6F179 A181 G198 S202 A208 C209 C210F179-A206 HydrophobicContact CB-CB 3.97Å; F179-A206 VanDerWaalsContact O-CB 3.3Å; F179-A206 WeakPolarHBondContact O-CB 3.38Å; A181-A206 HydrophobicContact CB-CB 3.78Å; G198-A206 CarbonylContact C-O 3.39Å; G198-A206 VanDerWaalsContact C-O 3.3Å; G198-A206 WeakPolarHBondContact CA-O 3.41Å; S202-A206 PolarHBondContact O-N 2.88Å; A206-A208 VanDerWaalsContact C-N 3.34Å; A206-A208 PolarHBondContact O-N 2.81Å; A206-C209 PolarHBondContact O-N 3.32Å; A206-C210 PolarHBondContact O-N 3.44Å
207S88.5Confident80Confident1 Ų125.8 Ų25.81%0.00713%0.133CC..Hα-helixtrans-73.7-19178.259.80000114.6K149 Y166 Y168 K203 Q205 A211K149-S207 PolarHBondContact NZ-OG 2.97Å; Y166-S207 WeakPolarHBondContact CE1-O 3.45Å; Y168-S207 VanDerWaalsContact OH-CB 3.29Å; Y168-S207 WeakPolarHBondContact OH-CB 3.37Å; Y168-S207 PolarHBondContact OH-OG 2.84Å; K203-S207 WeakPolarHBondContact O-CB 3.46Å; K203-S207 PolarHBondContact O-N 2.88Å; K203-S207 VanDerWaalsContact O-N 3.08Å; K203-S207 PolarHBondContact O-OG 3.4Å; Q205-S207 VanDerWaalsContact C-N 3.34Å; Q205-S207 PolarHBondContact O-N 3.26Å; S207-A211 WeakPolarHBondContact O-CB 3.33Å; S207-A211 PolarHBondContact O-N 2.99Å; S207-A211 VanDerWaalsContact O-N 3.09Å
208A86.1Confident80.5Confident11 Ų1123.7 Ų23.79%0.09112%0.118CC..Hα-helixtrans-75.6-41.6170.600000111.1L145 K204 Q205 A206 C210 A211 M212L145-A208 HydrophobicContact CD2-CB 4.2Å; L145-A208 HydrophobicContact CG-CB 3.88Å; K204-A208 WeakPolarHBondContact O-CB 3.33Å; K204-A208 PolarHBondContact O-N 3.09Å; Q205-A208 WeakPolarHBondContact O-CB 3.37Å; Q205-A208 PolarHBondContact O-N 2.88Å; A206-A208 VanDerWaalsContact C-N 3.34Å; A206-A208 PolarHBondContact O-N 2.81Å; A208-C210 VanDerWaalsContact C-N 3.33Å; A208-C210 PolarHBondContact O-N 3.07Å; A208-A211 PolarHBondContact O-N 3.05Å; A208-M212 PolarHBondContact O-N 3.24Å
209C79.8Confident81.1Confident9 Ų926.8 Ų26.86%0.06113%0.129CC..Hα-helixtrans-60.2-42.5171.7-50.80000111.6L145 K199 Q205 A206 M212 S213 Y739L145-C209 HydrophobicContact CD1-CB 4.45Å; K199-C209 PolarHBondContact O-SG 3.25Å; K199-C209 VanDerWaalsContact O-SG 3.34Å; Q205-C209 PolarHBondContact O-N 3.04Å; Q205-C209 PolarHBondContact O-SG 3.35Å; A206-C209 PolarHBondContact O-N 3.32Å; C209-M212 PolarHBondContact O-N 2.78Å; C209-S213 PolarHBondContact O-N 3.28Å; C209-Y739 PolarHBondContact SG-OH 3.28Å
210C86.9Confident81.4Confident0 Ų027.8 Ų27.80%014%0.137CC..Hα-helixtrans-64.1-46.9178.61770000110.9Y166 A181 A196 A206 A208 M212 S213 L214Y166-C210 HydrophobicContact CD1-CB 4.22Å; Y166-C210 HydrophobicContact CE1-CB 4.05Å; A181-C210 HydrophobicContact CB-CB 4.28Å; A196-C210 PolarHBondContact O-SG 2.9Å; A206-C210 PolarHBondContact O-N 3.44Å; A208-C210 VanDerWaalsContact C-N 3.33Å; A208-C210 PolarHBondContact O-N 3.07Å; C210-M212 VanDerWaalsContact C-N 3.27Å; C210-M212 PolarHBondContact O-N 2.86Å; C210-S213 PolarHBondContact O-N 3.45Å; C210-L214 PolarHBondContact O-N 2.85Å
211A90.9Very high82.2Confident0 Ų030.1 Ų30.10%015%0.148CC..Hα-helixtrans-60.5-35.8175.400000112.8K149 L152 S207 A208 L214 V215K149-A211 HydrophobicContact CB-CB 3.95Å; K149-A211 HydrophobicContact CG-CB 4.04Å; L152-A211 HydrophobicContact CD2-CB 3.81Å; S207-A211 WeakPolarHBondContact O-CB 3.33Å; S207-A211 PolarHBondContact O-N 2.99Å; S207-A211 VanDerWaalsContact O-N 3.09Å; A208-A211 PolarHBondContact O-N 3.05Å; A211-L214 PolarHBondContact O-N 2.7Å; A211-V215 WeakPolarHBondContact O-CB 3.42Å; A211-V215 VanDerWaalsContact O-CG2 3.28Å; A211-V215 WeakPolarHBondContact O-CG2 3.46Å; A211-V215 PolarHBondContact O-N 1.89Å
212M86.6Confident83.1Confident4 Ų430.1 Ų30.12%0.0217%0.166CC..Hα-helixtrans-66.8-46.2179.2-173.416971.100112.9T144 L145 A208 C209 C210 L214 V215 H216 Y739T144-M212 WeakPolarHBondContact CA-SD 3.47Å; L145-M212 HydrophobicContact CD1-CB 4.49Å; L145-M212 HydrophobicContact CD1-CE 3.46Å; L145-M212 VanDerWaalsContact CD1-CE 3.46Å; L145-M212 HydrophobicContact CD1-SD 3.89Å; L145-M212 PolarHBondContact N-SD 3.4Å; L145-M212 VanDerWaalsContact N-SD 3.38Å; A208-M212 PolarHBondContact O-N 3.24Å; C209-M212 PolarHBondContact O-N 2.78Å; C210-M212 VanDerWaalsContact C-N 3.27Å; C210-M212 PolarHBondContact O-N 2.86Å; M212-L214 VanDerWaalsContact C-N 3.34Å; M212-L214 PolarHBondContact O-N 3.45Å; M212-V215 PolarHBondContact O-N 2.86Å; M212-H216 VanDerWaalsContact CG-CE1 3.44Å; M212-H216 WeakPolarHBondContact CG-CE1 3.44Å; M212-H216 WeakPolarHBondContact CG-NE2 3.37Å; M212-H216 WeakPolarHBondContact O-CB 3.09Å; M212-H216 VanDerWaalsContact O-CG 3.28Å; M212-H216 PolarHBondContact O-N 3.13Å; M212-Y739 VanDerWaalsContact CE-CB 3.47Å; M212-Y739 HydrophobicContact CE-CD1 3.28Å; M212-Y739 HydrophobicContact CE-CD2 3.79Å; M212-Y739 HydrophobicContact CE-CE1 3.85Å; M212-Y739 HydrophobicContact CE-CE2 4.3Å; M212-Y739 HydrophobicContact CE-CG 3.24Å
213S82.7Confident83.6Confident23 Ų2329.4 Ų29.416%0.16116%0.159CC..Hα-helixtrans-65.3-35.9175.5173.50000112.1C209 C210 V215 H216 Q217 D824C209-S213 PolarHBondContact O-N 3.28Å; C210-S213 PolarHBondContact O-N 3.45Å; S213-V215 VanDerWaalsContact C-N 3.33Å; S213-V215 PolarHBondContact O-N 3.35Å; S213-H216 PolarHBondContact O-N 2.8Å; S213-Q217 WeakPolarHBondContact O-CB 3.37Å; S213-Q217 VanDerWaalsContact O-CG 3.24Å; S213-Q217 WeakPolarHBondContact O-CG 3.43Å; S213-Q217 PolarHBondContact O-N 3.07Å; S213-Q217 PolarHBondContact OG-NE2 2.78Å; S213-Q217 VanDerWaalsContact OG-NE2 3.07Å; S213-D824 PolarHBondContact OG-OD2 3.08Å
214L88.4Confident84.1Confident0 Ų027.8 Ų27.80%015%0.154CC..Hα-helixtrans-59.9-42.9171.6-69.1173.2000112.1L152 F164 A183 L185 I194 A196 C210 A211 M212 Q217 L218L152-L214 HydrophobicContact CD1-CB 4.25Å; L152-L214 HydrophobicContact CD1-CD1 4.34Å; L152-L214 HydrophobicContact CD2-CB 4.38Å; L152-L214 HydrophobicContact CD2-CD1 3.7Å; F164-L214 HydrophobicContact CE2-CD1 3.81Å; F164-L214 HydrophobicContact CZ-CD1 3.77Å; A183-L214 HydrophobicContact CB-CD1 4.4Å; L185-L214 HydrophobicContact CB-CD1 4.49Å; L185-L214 HydrophobicContact CB-CD2 4.11Å; I194-L214 HydrophobicContact CD1-CD2 4.09Å; I194-L214 HydrophobicContact CG1-CD2 3.97Å; A196-L214 HydrophobicContact CB-CD2 3.79Å; A196-L214 HydrophobicContact CB-CG 3.73Å; C210-L214 PolarHBondContact O-N 2.85Å; A211-L214 PolarHBondContact O-N 2.7Å; M212-L214 VanDerWaalsContact C-N 3.34Å; M212-L214 PolarHBondContact O-N 3.45Å; L214-Q217 PolarHBondContact O-N 3.31Å; L214-L218 VanDerWaalsContact O-CG 3.32Å; L214-L218 WeakPolarHBondContact O-CG 3.46Å; L214-L218 PolarHBondContact O-N 2.69Å
215V89.6Confident84.2Confident0 Ų029.9 Ų29.90%016%0.157CC..Hα-helixtrans-69.6-40.91781670000111.7W143 S148 C151 L152 A211 M212 S213 L218 Y219 I224W143-V215 HydrophobicContact CB-CG1 3.63Å; W143-V215 HydrophobicContact CD2-CG1 3.54Å; W143-V215 HydrophobicContact CE3-CG1 4.02Å; W143-V215 HydrophobicContact CG-CG1 3.36Å; S148-V215 WeakPolarHBondContact O-CG2 3.48Å; C151-V215 HydrophobicContact CB-CG1 4.48Å; C151-V215 HydrophobicContact CB-CG2 4.14Å; L152-V215 HydrophobicContact CB-CG2 4.04Å; A211-V215 WeakPolarHBondContact O-CB 3.42Å; A211-V215 VanDerWaalsContact O-CG2 3.28Å; A211-V215 WeakPolarHBondContact O-CG2 3.46Å; A211-V215 PolarHBondContact O-N 1.89Å; M212-V215 PolarHBondContact O-N 2.86Å; S213-V215 VanDerWaalsContact C-N 3.33Å; S213-V215 PolarHBondContact O-N 3.35Å; V215-L218 PolarHBondContact O-N 3.13Å; V215-Y219 WeakPolarHBondContact O-CB 3.46Å; V215-Y219 PolarHBondContact O-N 2.76Å; V215-I224 HydrophobicContact CB-CD1 4.38Å; V215-I224 HydrophobicContact CG1-CD1 3.6Å; V215-I224 WeakPolarHBondContact O-CD1 3.25Å
216H83.3Confident84.3Confident10 Ų1034 Ų345%0.04617%0.174CC..Hα-helixtrans-62.7-41.6173.6-69.1179.8000111.8C140 W143 M212 S213 Y219 N220 D824C140-H216 WeakPolarHBondContact CB-NE2 3.25Å; W143-H216 PolarHBondContact O-NE2 3.09Å; M212-H216 VanDerWaalsContact CG-CE1 3.44Å; M212-H216 WeakPolarHBondContact CG-CE1 3.44Å; M212-H216 WeakPolarHBondContact CG-NE2 3.37Å; M212-H216 WeakPolarHBondContact O-CB 3.09Å; M212-H216 VanDerWaalsContact O-CG 3.28Å; M212-H216 PolarHBondContact O-N 3.13Å; S213-H216 PolarHBondContact O-N 2.8Å; H216-Y219 PolarHBondContact O-N 2.89Å; H216-N220 WeakPolarHBondContact O-CB 3.41Å; H216-N220 PolarHBondContact O-N 3.03Å; H216-N220 PolarHBondContact O-ND2 3.33Å; H216-D824 HydrophobicContact CB-CB 4.43Å
217Q83Confident84.2Confident15 Ų1536.4 Ų36.47%0.0719%0.185CC..Hα-helixtrans-62.9-45.9173-73.4177.960.700111.6I194 S195 S213 L214 Y219 N220 L221 D824I194-Q217 HydrophobicContact CD1-CB 3.92Å; S195-Q217 PolarHBondContact O-NE2 3.38Å; S213-Q217 WeakPolarHBondContact O-CB 3.37Å; S213-Q217 VanDerWaalsContact O-CG 3.24Å; S213-Q217 WeakPolarHBondContact O-CG 3.43Å; S213-Q217 PolarHBondContact O-N 3.07Å; S213-Q217 PolarHBondContact OG-NE2 2.78Å; S213-Q217 VanDerWaalsContact OG-NE2 3.07Å; L214-Q217 PolarHBondContact O-N 3.31Å; Q217-Y219 VanDerWaalsContact C-N 3.31Å; Q217-Y219 PolarHBondContact O-N 3.37Å; Q217-N220 PolarHBondContact O-N 3.02Å; Q217-L221 WeakPolarHBondContact O-CB 3.49Å; Q217-L221 WeakPolarHBondContact O-CG 3.16Å; Q217-L221 PolarHBondContact O-N 2.25Å; Q217-D824 HydrophobicContact CG-CB 4.38Å
218L87.2Confident83.1Confident0 Ų044.9 Ų44.90%022%0.224CC..Hα-helixtrans-60.3-37.6174.8-73.9171.9000112.9F155 L185 V187 I194 L214 V215 G222 V223 I224F155-L218 HydrophobicContact CD1-CD1 4.15Å; F155-L218 HydrophobicContact CD2-CD1 3.96Å; F155-L218 HydrophobicContact CE1-CD1 4.3Å; F155-L218 HydrophobicContact CE1-CD2 4.32Å; F155-L218 HydrophobicContact CE2-CD1 4.12Å; F155-L218 HydrophobicContact CE2-CD2 3.92Å; F155-L218 HydrophobicContact CG-CD1 3.98Å; F155-L218 HydrophobicContact CZ-CD1 4.29Å; F155-L218 HydrophobicContact CZ-CD2 3.77Å; L185-L218 HydrophobicContact CD2-CD1 3.87Å; L185-L218 HydrophobicContact CD2-CD2 4.41Å; L185-L218 HydrophobicContact CD2-CG 4.36Å; V187-L218 HydrophobicContact CG1-CD2 4.18Å; V187-L218 HydrophobicContact CG2-CD2 3.86Å; I194-L218 HydrophobicContact CD1-CD2 4.03Å; I194-L218 HydrophobicContact CD1-CG 3.9Å; L214-L218 VanDerWaalsContact O-CG 3.32Å; L214-L218 WeakPolarHBondContact O-CG 3.46Å; L214-L218 PolarHBondContact O-N 2.69Å; V215-L218 PolarHBondContact O-N 3.13Å; L218-G222 PolarHBondContact O-N 2.8Å; L218-V223 HydrophobicContact CD2-CB 4.1Å; L218-V223 HydrophobicContact CD2-CG1 4.15Å; L218-V223 HydrophobicContact CD2-CG2 4.39Å; L218-V223 WeakPolarHBondContact O-CB 3.45Å; L218-V223 PolarHBondContact O-N 3.33Å; L218-I224 HydrophobicContact CB-CD1 3.99Å; L218-I224 HydrophobicContact CB-CG1 3.94Å; L218-I224 HydrophobicContact CB-CG2 4.21Å; L218-I224 HydrophobicContact CD1-CG2 4.44Å; L218-I224 PolarHBondContact O-N 3.15Å
219Y85.2Confident81.7Confident67 Ų6751.4 Ų51.426%0.26325%0.253SS..Hα-helixtrans-68.7-47.1177.3173.9-105.1000111.4V215 H216 Q217 L221 G222 K226V215-Y219 WeakPolarHBondContact O-CB 3.46Å; V215-Y219 PolarHBondContact O-N 2.76Å; H216-Y219 PolarHBondContact O-N 2.89Å; Q217-Y219 VanDerWaalsContact C-N 3.31Å; Q217-Y219 PolarHBondContact O-N 3.37Å; Y219-L221 PolarHBondContact O-N 3.15Å; Y219-G222 WeakPolarHBondContact O-CA 3.36Å; Y219-G222 PolarHBondContact O-N 3.21Å; Y219-K226 HydrophobicContact CE2-CB 4.28Å
220N76.4Confident80.2Confident61 Ų6155.8 Ų55.833%0.32629%0.29SS..Hα-helixtrans-66.4-24.9177.6-67.1-19.8000112.9H216 Q217 G222H216-N220 WeakPolarHBondContact O-CB 3.41Å; H216-N220 PolarHBondContact O-N 3.03Å; H216-N220 PolarHBondContact O-ND2 3.33Å; Q217-N220 PolarHBondContact O-N 3.02Å; N220-G222 VanDerWaalsContact C-N 3.3Å
221L82.2Confident78.1Confident51 Ų5160.2 Ų60.227%0.26732%0.317SS..THydrogen-bonded Turntrans-82.90.4170.3-69.8170.8000113.6L190 M192 I194 Q217 Y219 V223 L823L190-L221 HydrophobicContact CD1-CB 3.92Å; L190-L221 HydrophobicContact CD1-CD1 4.2Å; L190-L221 HydrophobicContact CD1-CD2 4.22Å; L190-L221 HydrophobicContact CD1-CG 4.34Å; M192-L221 HydrophobicContact SD-CD1 4.15Å; I194-L221 HydrophobicContact CG2-CD1 3.87Å; Q217-L221 WeakPolarHBondContact O-CB 3.49Å; Q217-L221 WeakPolarHBondContact O-CG 3.16Å; Q217-L221 PolarHBondContact O-N 2.25Å; Y219-L221 PolarHBondContact O-N 3.15Å; L221-V223 VanDerWaalsContact C-N 3.26Å; L221-V223 HydrophobicContact CB-CG2 3.91Å; L221-V223 PolarHBondContact O-N 3.23Å; L221-L823 HydrophobicContact CD2-CD2 3.91Å; L221-L823 HydrophobicContact CG-CD2 4.36Å
222G81.5Confident75.7Confident64 Ų6466.1 Ų66.166%0.6636%0.355SS*.THydrogen-bonded Turntrans73.39.817900000115.4L218 Y219 N220L218-G222 PolarHBondContact O-N 2.8Å; Y219-G222 WeakPolarHBondContact O-CA 3.36Å; Y219-G222 PolarHBondContact O-N 3.21Å; N220-G222 VanDerWaalsContact C-N 3.3Å
223V85.4Confident73.5Confident34 Ų3472.2 Ų72.221%0.20638%0.382CS..SBendtrans-80.8-28.7-174.6-170.90000111.8F155 V187 L190 L218 L221F155-V223 HydrophobicContact CE2-CG1 3.73Å; F155-V223 HydrophobicContact CZ-CG1 4.36Å; V187-V223 HydrophobicContact CG1-CG1 4.39Å; V187-V223 HydrophobicContact CG1-CG2 4.06Å; L190-V223 HydrophobicContact CD1-CG2 3.77Å; L190-V223 HydrophobicContact CG-CG2 4.41Å; L218-V223 HydrophobicContact CD2-CB 4.1Å; L218-V223 HydrophobicContact CD2-CG1 4.15Å; L218-V223 HydrophobicContact CD2-CG2 4.39Å; L218-V223 WeakPolarHBondContact O-CB 3.45Å; L218-V223 PolarHBondContact O-N 3.33Å; L221-V223 VanDerWaalsContact C-N 3.26Å; L221-V223 HydrophobicContact CB-CG2 3.91Å; L221-V223 PolarHBondContact O-N 3.23Å
224I86.1Confident71.5Confident27 Ų2781.7 Ų81.714%0.13842%0.42CS..SBendtrans-124158.5175.166.6171.4000111.6W143 F155 V215 L218W143-I224 HydrophobicContact CZ2-CD1 4.25Å; F155-I224 HydrophobicContact CD2-CG2 4.22Å; V215-I224 HydrophobicContact CB-CD1 4.38Å; V215-I224 HydrophobicContact CG1-CD1 3.6Å; V215-I224 WeakPolarHBondContact O-CD1 3.25Å; L218-I224 HydrophobicContact CB-CD1 3.99Å; L218-I224 HydrophobicContact CB-CG1 3.94Å; L218-I224 HydrophobicContact CB-CG2 4.21Å; L218-I224 HydrophobicContact CD1-CG2 4.44Å; L218-I224 PolarHBondContact O-N 3.15Å
225R82.9Confident69.9Low217 Ų21788.5 Ų88.582%0.81945%0.45SS*.PPolyproline II helixtrans-86.9173.6-178.2-58.7-176.3-174.9-177.61.3112.1W143W143-R225 WeakPolarHBondContact CZ2-O 3.46Å; W143-R225 PolarHBondContact NE1-O 3.04Å
226K79Confident68.7Low120 Ų12092.7 Ų92.752%0.52247%0.472SS..PPolyproline II helixtrans-64.8148.1165.2-179.2162.8-175.8172.30110.4G141 Y219G141-K226 CarbonylContact O-C 3.58Å; G141-K226 WeakPolarHBondContact O-CA 3.32Å; Y219-K226 HydrophobicContact CE2-CB 4.28Å
227F76.6Confident68.2Low50 Ų5098.4 Ų98.422%0.21950%0.498CS..PPolyproline II helixtrans-96.1139.5173.5-178.3-100.2000110.4G141 G142 W143 N147 E229G141-F227 WeakPolarHBondContact O-CB 3.47Å; G141-F227 PolarHBondContact O-N 3.35Å; G142-F227 WeakPolarHBondContact O-CD1 3.41Å; W143-F227 HydrophobicContact CD2-CB 3.89Å; W143-F227 HydrophobicContact CE3-CB 3.88Å; W143-F227 HydrophobicContact CE3-CD2 4.13Å; W143-F227 HydrophobicContact CE3-CG 4.11Å; W143-F227 HydrophobicContact CH2-CB 3.85Å; W143-F227 AromaticContact CH2-CD2 3.64Å; W143-F227 HydrophobicContact CH2-CD2 3.64Å; W143-F227 HydrophobicContact CH2-CG 4.15Å; W143-F227 HydrophobicContact CZ2-CB 3.87Å; W143-F227 HydrophobicContact CZ2-CD2 4.48Å; W143-F227 HydrophobicContact CZ3-CB 3.84Å; W143-F227 AromaticContact CZ3-CD2 3.41Å; W143-F227 HydrophobicContact CZ3-CD2 3.41Å; W143-F227 VanDerWaalsContact CZ3-CD2 3.41Å; W143-F227 HydrophobicContact CZ3-CE2 4.19Å; W143-F227 AromaticContact CZ3-CG 3.84Å; W143-F227 HydrophobicContact CZ3-CG 3.84Å; N147-F227 HydrophobicContact CB-CE1 4.21Å; N147-F227 HydrophobicContact CB-CE2 4.21Å; N147-F227 HydrophobicContact CB-CZ 3.93Å; N147-F227 WeakPolarHBondContact ND2-CD1 3.16Å; N147-F227 WeakPolarHBondContact ND2-CE1 3.45Å; F227-E229 HydrophobicContact CE1-CB 4.12Å; F227-E229 WeakPolarHBondContact CE1-O 3.45Å; F227-E229 HydrophobicContact CE2-CB 4.46Å; F227-E229 HydrophobicContact CZ-CB 3.83Å
228E64.6Low68.2Low179 Ų17998.1 Ų98.184%0.83650%0.497SS*.  trans-125.2-4-164-62.1179.2161.200114.4
229E58.5Low68.3Low148 Ų148101 Ų10169%0.69252%0.516SS*.  trans-95.5125.6-176.7-65.4-171.5149.200113.6F227F227-E229 HydrophobicContact CE1-CB 4.12Å; F227-E229 WeakPolarHBondContact CE1-O 3.45Å; F227-E229 HydrophobicContact CE2-CB 4.46Å; F227-E229 HydrophobicContact CZ-CB 3.83Å
230A46.8Very low68.6Low101 Ų101101.1 Ų101.184%0.83552%0.521SS*.  trans-86.3126.8175.100000112.4P232A230-P232 VanDerWaalsContact O-CD 3.27Å; A230-P232 WeakPolarHBondContact O-CD 3.49Å
231T44.3Very low69.1Low93 Ų93100.6 Ų100.657%0.57152%0.515SS*.  trans-102.410618054.80000113.8
232P38.7Very low69.4Low125 Ų125103.6 Ų103.681%0.81253%0.531SS*.  trans-86.8131.8176.733.1-34.3000112.9A230A230-P232 VanDerWaalsContact O-CD 3.27Å; A230-P232 WeakPolarHBondContact O-CD 3.49Å
233K41.5Very low69.6Low131 Ų131101.3 Ų101.357%0.5750%0.504SS*.  trans-142.4150.4168.5-68172.6-172.4144.90109.3E146 K235E146-K233 IonicContact OE1-NZ 3.92Å; E146-K233 PolarHBondContact OE1-NZ 3.29Å; E146-K233 VanDerWaalsContact OE1-NZ 3.08Å; E146-K233 IonicContact OE2-NZ 3.46Å; E146-K233 PolarHBondContact OE2-NZ 2.81Å; K233-K235 PolarHBondContact O-N 3.26Å
234K40.8Very low69.5Low222 Ų222104.8 Ų104.897%0.96552%0.517SS*.  trans-58.8107.6-178.1-70-177.7175.2-179.60111.8
235K55.4Low69.3Low144 Ų144104.2 Ų104.263%0.62651%0.514SS*.  trans-92.4172.1173.2-67.6-179.8-177.71760110.6K233 E237 N1037K233-K235 PolarHBondContact O-N 3.26Å; K235-E237 PolarHBondContact O-N 2.95Å; K235-N1037 HydrophobicContact CD-CB 4.39Å
236L63Low69.2Low88 Ų8895.2 Ų95.246%0.46148%0.484SS..  trans-88.591.3170.6-175.674.9000107.7W1025 L1033 N1037L236-W1025 HydrophobicContact CD2-CZ3 4.45Å; L236-L1033 HydrophobicContact CB-CD2 4.43Å; L236-L1033 HydrophobicContact CD2-CD1 4.35Å; L236-L1033 HydrophobicContact CD2-CD2 4.38Å; L236-L1033 VanDerWaalsContact O-CD2 3.28Å; L236-L1033 WeakPolarHBondContact O-CD2 3.42Å; L236-N1037 PolarHBondContact N-OD1 2.68Å
237E72.9Confident69.6Low130 Ų13093.8 Ų93.861%0.60749%0.487SS*.PPolyproline II helixtrans-66.8139.1-175.9-70.7-167.8-144.600112.8K235 K1107K235-E237 PolarHBondContact O-N 2.95Å; E237-K1107 IonicContact OE2-NZ 3.95Å; E237-K1107 PolarHBondContact OE2-NZ 3.19Å
238V83.6Confident69.9Low8 Ų895.6 Ų95.65%0.04850%0.503CS..PPolyproline II helixtrans-72.2133.5167.6178.40000107.7Y241 W1025 L1033 F1060 W1105 L1106V238-Y241 HydrophobicContact CG1-CE2 3.9Å; V238-W1025 HydrophobicContact CG1-CD2 4.21Å; V238-W1025 HydrophobicContact CG1-CG 4.09Å; V238-W1025 HydrophobicContact CG2-CB 4.24Å; V238-W1025 HydrophobicContact CG2-CD2 4.03Å; V238-W1025 HydrophobicContact CG2-CE3 3.99Å; V238-W1025 HydrophobicContact CG2-CG 4.14Å; V238-L1033 HydrophobicContact CG2-CD2 4.23Å; V238-F1060 HydrophobicContact CG1-CE1 4.33Å; V238-F1060 HydrophobicContact CG1-CZ 3.92Å; V238-W1105 HydrophobicContact CG2-CE3 3.7Å; V238-W1105 HydrophobicContact CG2-CZ3 3.87Å; V238-L1106 HydrophobicContact CG1-CD1 4.19Å
239P88.8Confident70.7Confident61 Ų6187.2 Ų87.240%0.39646%0.464SS..PPolyproline II helixtrans-64.4152.9179.627.2-34.8000111.5Y241 W1025P239-Y241 HydrophobicContact CG-CE2 3.88Å; P239-Y241 WeakPolarHBondContact O-CD2 3.48Å; P239-Y241 VanDerWaalsContact O-CE2 3.26Å; P239-Y241 WeakPolarHBondContact O-CE2 3.36Å; P239-Y241 PolarHBondContact O-N 3.27Å; P239-W1025 HydrophobicContact CG-CZ2 3.95Å
240I90.7Very high72Confident70 Ų7082.7 Ų82.736%0.35944%0.443SS..PPolyproline II helixtrans-65.2133.1174.1-59.2165000109L1099 K1107 R1109I240-L1099 HydrophobicContact CD1-CD1 3.75Å; I240-L1099 HydrophobicContact CG1-CD1 4.26Å; I240-L1099 HydrophobicContact CG2-CD2 3.94Å; I240-K1107 WeakPolarHBondContact CA-O 3.39Å; I240-K1107 HydrophobicContact CG1-CB 3.94Å; I240-K1107 HydrophobicContact CG1-CD 4.33Å; I240-R1109 HydrophobicContact CG2-CB 4.09Å
241Y88Confident73.9Confident50 Ų5083 Ų8320%0.19643%0.427CS..EExtended strand (participates in β ladder)trans-109.5124.7176.6-74.2-82.8000111.7V238 P239 W1025 P1059 F1060 H1082 L1106 K1107 L1108 R1109V238-Y241 HydrophobicContact CG1-CE2 3.9Å; P239-Y241 HydrophobicContact CG-CE2 3.88Å; P239-Y241 WeakPolarHBondContact O-CD2 3.48Å; P239-Y241 VanDerWaalsContact O-CE2 3.26Å; P239-Y241 WeakPolarHBondContact O-CE2 3.36Å; P239-Y241 PolarHBondContact O-N 3.27Å; Y241-W1025 AromaticContact CZ-NE1 3.96Å; Y241-W1025 PolarHBondContact OH-NE1 3.14Å; Y241-P1059 HydrophobicContact CE1-CG 4.22Å; Y241-P1059 WeakPolarHBondContact OH-CG 3.45Å; Y241-F1060 AromaticContact CD2-CE2 3.93Å; Y241-F1060 HydrophobicContact CD2-CE2 3.93Å; Y241-F1060 AromaticContact CD2-CZ 3.97Å; Y241-F1060 HydrophobicContact CD2-CZ 3.97Å; Y241-F1060 AromaticContact CE2-CE2 3.6Å; Y241-F1060 HydrophobicContact CE2-CE2 3.6Å; Y241-F1060 AromaticContact CE2-CZ 3.6Å; Y241-F1060 HydrophobicContact CE2-CZ 3.6Å; Y241-F1060 AromaticContact CZ-CE2 3.99Å; Y241-H1082 AromaticContact CD1-CE1 3.83Å; Y241-H1082 AromaticContact CD1-NE2 3.53Å; Y241-H1082 AromaticContact CD2-NE2 3.89Å; Y241-H1082 AromaticContact CG-CE1 3.98Å; Y241-H1082 AromaticContact CG-NE2 3.44Å; Y241-L1106 HydrophobicContact CD2-CD1 4.1Å; Y241-K1107 PolarHBondContact N-O 3.45Å; Y241-K1107 VanDerWaalsContact N-O 3.1Å; Y241-L1108 WeakPolarHBondContact O-CA 3.37Å; Y241-R1109 PolarHBondContact O-N 3.46Å
242D87.8Confident75.8Confident113 Ų11381.9 Ų81.960%0.60442%0.418SS*.EExtended strand (participates in β ladder)trans-71.6124.8171.2-62-68.1000110.7R1109D242-R1109 WeakPolarHBondContact OD1-CD 3.12Å; D242-R1109 IonicContact OD1-CZ 3.08Å; D242-R1109 IonicContact OD1-NE 2.85Å; D242-R1109 IonicContact OD1-NH1 2.6Å; D242-R1109 PolarHBondContact OD1-NH1 3Å; D242-R1109 IonicContact OD2-NH1 3.2Å
243V85.3Confident77.9Confident17 Ų1776 Ų7610%0.10338%0.38CS..  trans-124.6121.6-178.3176.30000109.5H1082 L1083 L1108 R1109 M1110V243-H1082 HydrophobicContact CG2-CB 3.93Å; V243-L1083 HydrophobicContact CG1-CD2 3.53Å; V243-L1083 HydrophobicContact CG1-CG 4.05Å; V243-L1108 HydrophobicContact CG2-CB 4.42Å; V243-L1108 HydrophobicContact CG2-CD1 4.42Å; V243-L1108 HydrophobicContact CG2-CD2 4.08Å; V243-R1109 PolarHBondContact N-O 3.16Å; V243-M1110 HydrophobicContact CB-CB 4.12Å; V243-M1110 HydrophobicContact CB-SD 4.27Å; V243-M1110 HydrophobicContact CG1-CE 4.44Å; V243-M1110 HydrophobicContact CG1-SD 4.09Å; V243-M1110 WeakPolarHBondContact O-CB 3.16Å
244F83.9Confident80.1Confident107 Ų10770.6 Ų70.647%0.46936%0.358SS..  trans-120.1127-179174.2-84.4000110P246 R1177F244-P246 HydrophobicContact CD1-CG 4.35Å; F244-P246 HydrophobicContact CE1-CB 4.2Å; F244-P246 HydrophobicContact CE1-CG 3.97Å; F244-R1177 VanDerWaalsContact CD1-CZ 3.48Å; F244-R1177 VanDerWaalsContact CD1-NH1 3.31Å
245V81.4Confident82.3Confident15 Ų1563.9 Ų63.99%0.09133%0.333CS..  trans-104.2124.2171.5-179.80000107.7L249 L1083 V1114 I1118V245-L249 HydrophobicContact CG1-CB 4.02Å; V245-L249 HydrophobicContact CG1-CD2 4.02Å; V245-L249 HydrophobicContact CG1-CG 3.94Å; V245-L1083 HydrophobicContact CG2-CD1 4.18Å; V245-L1083 HydrophobicContact CG2-CD2 4.49Å; V245-V1114 HydrophobicContact CB-CG1 3.85Å; V245-V1114 HydrophobicContact CG1-CG1 4.3Å; V245-V1114 HydrophobicContact CG2-CG1 3.6Å; V245-I1118 HydrophobicContact CG2-CD1 4.08Å
246P82.3Confident83.6Confident28 Ų2858 Ų5818%0.18231%0.307CS..  trans-61.8141.1174.6-23.934.2000112F244 P248 L249 E250 I1173F244-P246 HydrophobicContact CD1-CG 4.35Å; F244-P246 HydrophobicContact CE1-CB 4.2Å; F244-P246 HydrophobicContact CE1-CG 3.97Å; P246-P248 VanDerWaalsContact C-CD 3.42Å; P246-P248 VanDerWaalsContact C-N 3.34Å; P246-P248 VanDerWaalsContact O-N 3.17Å; P246-L249 PolarHBondContact O-N 2.96Å; P246-E250 PolarHBondContact O-N 2.9Å; P246-I1173 HydrophobicContact CB-CD1 4.47Å; P246-I1173 HydrophobicContact CG-CD1 3.69Å; P246-I1173 HydrophobicContact CG-CG1 4.02Å; P246-I1173 HydrophobicContact CG-CG2 3.96Å
247P86.1Confident84.6Confident89 Ų8953.9 Ų53.958%0.57829%0.285SS*.Hα-helixtrans-51.9-37.3-178.1-28.634.8000116.3L249 E250 Q251P247-L249 VanDerWaalsContact C-N 3.3Å; P247-L249 PolarHBondContact O-N 3.46Å; P247-E250 PolarHBondContact O-N 3.19Å; P247-Q251 PolarHBondContact O-N 3.21Å
248P84.5Confident85.3Confident88 Ų8853 Ų5357%0.57129%0.289SS*.Hα-helixtrans-58.9-40.1175.1-2636000113P246 Q251 D252P246-P248 VanDerWaalsContact C-CD 3.42Å; P246-P248 VanDerWaalsContact C-N 3.34Å; P246-P248 VanDerWaalsContact O-N 3.17Å; P248-Q251 WeakPolarHBondContact O-CB 2.92Å; P248-Q251 PolarHBondContact O-N 2.84Å; P248-D252 PolarHBondContact O-N 2.67Å
249L81.1Confident85.2Confident3 Ų358.1 Ų58.12%0.01632%0.32CS..Hα-helixtrans-73.4-32.1177.5178.456.4000112.2V245 P246 P247 Q251 D252 I253 S1169 I1170 I1173V245-L249 HydrophobicContact CG1-CB 4.02Å; V245-L249 HydrophobicContact CG1-CD2 4.02Å; V245-L249 HydrophobicContact CG1-CG 3.94Å; P246-L249 PolarHBondContact O-N 2.96Å; P247-L249 VanDerWaalsContact C-N 3.3Å; P247-L249 PolarHBondContact O-N 3.46Å; L249-Q251 VanDerWaalsContact C-N 3.27Å; L249-Q251 PolarHBondContact O-N 3.15Å; L249-D252 HydrophobicContact CD1-CB 4.23Å; L249-D252 PolarHBondContact O-N 3.12Å; L249-I253 HydrophobicContact CD1-CD1 4.1Å; L249-I253 HydrophobicContact CD1-CG1 4.14Å; L249-I253 HydrophobicContact CG-CD1 3.99Å; L249-I253 WeakPolarHBondContact O-CB 3.1Å; L249-I253 VanDerWaalsContact O-CD1 3.3Å; L249-I253 WeakPolarHBondContact O-CD1 3.34Å; L249-I253 WeakPolarHBondContact O-CG1 2.86Å; L249-I253 PolarHBondContact O-N 3.5Å; L249-S1169 VanDerWaalsContact CD1-CB 3.46Å; L249-I1170 HydrophobicContact CD1-CG1 4.21Å; L249-I1170 HydrophobicContact CD2-CB 4.4Å; L249-I1170 HydrophobicContact CD2-CG1 3.81Å; L249-I1170 HydrophobicContact CG-CG1 4.39Å; L249-I1173 HydrophobicContact CB-CD1 4.11Å; L249-I1173 HydrophobicContact CD2-CD1 3.56Å; L249-I1173 HydrophobicContact CG-CD1 4.47Å
250E85.5Confident84.5Confident53 Ų5357.6 Ų57.625%0.24831%0.313CS..Hα-helixtrans-62.8-38.7169.8-176.5176.4176.900111P246 P247 S254 V1114 K1117P246-E250 PolarHBondContact O-N 2.9Å; P247-E250 PolarHBondContact O-N 3.19Å; E250-S254 WeakPolarHBondContact O-CB 3.42Å; E250-S254 PolarHBondContact O-N 3.22Å; E250-S254 PolarHBondContact O-OG 2.9Å; E250-V1114 HydrophobicContact CG-CG2 4.07Å; E250-V1114 VanDerWaalsContact OE2-CG2 3.28Å; E250-V1114 WeakPolarHBondContact OE2-CG2 3.22Å; E250-K1117 HydrophobicContact CG-CD 4.3Å; E250-K1117 IonicContact OE1-NZ 3.62Å; E250-K1117 PolarHBondContact OE1-NZ 2.92Å
251Q87.1Confident84.1Confident107 Ų10757 Ų5750%0.532%0.324SS..Hα-helixtrans-65.2-50.6174.7-164.165.447.600111.1P247 P248 L249 I253 S254 D255P247-Q251 PolarHBondContact O-N 3.21Å; P248-Q251 WeakPolarHBondContact O-CB 2.92Å; P248-Q251 PolarHBondContact O-N 2.84Å; L249-Q251 VanDerWaalsContact C-N 3.27Å; L249-Q251 PolarHBondContact O-N 3.15Å; Q251-I253 PolarHBondContact O-N 3.39Å; Q251-S254 WeakPolarHBondContact O-CA 3.43Å; Q251-S254 WeakPolarHBondContact O-CB 3.46Å; Q251-S254 PolarHBondContact O-N 2.96Å; Q251-D255 PolarHBondContact NE2-OD1 2.84Å; Q251-D255 PolarHBondContact O-N 3.19Å
252D82.5Confident83.7Confident71 Ų7155.4 Ų55.438%0.3832%0.319SS..Hα-helixtrans-50.2-44.5176.2-60.9-26.4000111.7P248 L249 Y256 V1166P248-D252 PolarHBondContact O-N 2.67Å; L249-D252 HydrophobicContact CD1-CB 4.23Å; L249-D252 PolarHBondContact O-N 3.12Å; D252-Y256 WeakPolarHBondContact O-CB 3.44Å; D252-Y256 PolarHBondContact O-N 2.95Å; D252-Y256 VanDerWaalsContact O-N 3.14Å; D252-V1166 HydrophobicContact CB-CG2 4.25Å
253I84.6Confident83.4Confident2 Ų256.4 Ų56.41%0.0132%0.324CS..Hα-helixtrans-67.4-42.9177.2-66.1162.4000111.3L249 Q251 L257 K1117 I1118 L1121 V1166 I1170L249-I253 HydrophobicContact CD1-CD1 4.1Å; L249-I253 HydrophobicContact CD1-CG1 4.14Å; L249-I253 HydrophobicContact CG-CD1 3.99Å; L249-I253 WeakPolarHBondContact O-CB 3.1Å; L249-I253 VanDerWaalsContact O-CD1 3.3Å; L249-I253 WeakPolarHBondContact O-CD1 3.34Å; L249-I253 WeakPolarHBondContact O-CG1 2.86Å; L249-I253 PolarHBondContact O-N 3.5Å; Q251-I253 PolarHBondContact O-N 3.39Å; I253-L257 HydrophobicContact CG2-CD1 3.86Å; I253-L257 HydrophobicContact CG2-CG 4.41Å; I253-L257 WeakPolarHBondContact O-CB 3.47Å; I253-L257 VanDerWaalsContact O-CG 3.29Å; I253-L257 WeakPolarHBondContact O-CG 3.29Å; I253-L257 PolarHBondContact O-N 3.48Å; I253-K1117 HydrophobicContact CG2-CB 3.88Å; I253-I1118 HydrophobicContact CD1-CD1 4.32Å; I253-I1118 HydrophobicContact CD1-CG1 3.9Å; I253-L1121 HydrophobicContact CG1-CD1 4.29Å; I253-L1121 HydrophobicContact CG2-CD1 4.11Å; I253-L1121 HydrophobicContact CG2-CD2 4.37Å; I253-L1121 HydrophobicContact CG2-CG 4.28Å; I253-V1166 HydrophobicContact CG1-CG1 3.54Å; I253-I1170 HydrophobicContact CD1-CD1 4.32Å; I253-I1170 HydrophobicContact CD1-CG1 4.49Å
254S87.6Confident83.3Confident16 Ų1659.8 Ų59.811%0.11234%0.336CS..Hα-helixtrans-66.8-42.2-177.7-55.40000111.5E250 Q251 T258 K1117E250-S254 WeakPolarHBondContact O-CB 3.42Å; E250-S254 PolarHBondContact O-N 3.22Å; E250-S254 PolarHBondContact O-OG 2.9Å; Q251-S254 WeakPolarHBondContact O-CA 3.43Å; Q251-S254 WeakPolarHBondContact O-CB 3.46Å; Q251-S254 PolarHBondContact O-N 2.96Å; S254-T258 WeakPolarHBondContact O-CB 3.5Å; S254-T258 PolarHBondContact O-N 3.47Å; S254-T258 PolarHBondContact O-OG1 3.02Å; S254-K1117 WeakPolarHBondContact OG-CE 3.46Å; S254-K1117 PolarHBondContact OG-NZ 3.06Å
255D86.4Confident83.3Confident81 Ų8156.1 Ų56.143%0.43332%0.322SS..Hα-helixtrans-68-40.5178.9-65.2-12.4000110.7Q251 T258 T259Q251-D255 PolarHBondContact NE2-OD1 2.84Å; Q251-D255 PolarHBondContact O-N 3.19Å; D255-T258 PolarHBondContact O-N 3.17Å; D255-T259 WeakPolarHBondContact O-CB 3.4Å; D255-T259 PolarHBondContact O-N 3.46Å; D255-T259 PolarHBondContact O-OG1 3.11Å
256Y82.3Confident83Confident20 Ų2063.4 Ų63.48%0.07836%0.355CS..Hα-helixtrans-65.3-47.1175.4-175.3-109.2000112.5D252 T258 T259 E260 L1121 C1124 I1163D252-Y256 WeakPolarHBondContact O-CB 3.44Å; D252-Y256 PolarHBondContact O-N 2.95Å; D252-Y256 VanDerWaalsContact O-N 3.14Å; Y256-T258 VanDerWaalsContact C-N 3.28Å; Y256-T258 PolarHBondContact O-N 3.16Å; Y256-T259 PolarHBondContact O-N 2.86Å; Y256-T259 VanDerWaalsContact O-N 3.14Å; Y256-E260 HydrophobicContact CD1-CG 4.44Å; Y256-E260 HydrophobicContact CD2-CG 4.29Å; Y256-E260 HydrophobicContact CE1-CG 3.89Å; Y256-E260 HydrophobicContact CE2-CG 3.68Å; Y256-E260 VanDerWaalsContact CE2-OE1 3.28Å; Y256-E260 WeakPolarHBondContact CE2-OE1 3.31Å; Y256-E260 VanDerWaalsContact CZ-CG 3.43Å; Y256-E260 PolarHBondContact O-N 3.33Å; Y256-E260 VanDerWaalsContact OH-CD 3.29Å; Y256-E260 WeakPolarHBondContact OH-CG 3.22Å; Y256-E260 PolarHBondContact OH-OE1 3.46Å; Y256-L1121 HydrophobicContact CD1-CD2 3.77Å; Y256-L1121 HydrophobicContact CE1-CD2 4.25Å; Y256-C1124 HydrophobicContact CE1-CB 3.98Å; Y256-I1163 HydrophobicContact CE1-CB 3.85Å; Y256-I1163 HydrophobicContact CE1-CD1 4.08Å; Y256-I1163 HydrophobicContact CE1-CG1 3.78Å; Y256-I1163 HydrophobicContact CE2-CB 4.5Å
257L84.8Confident82.3Confident2 Ų262.3 Ų62.31%0.0135%0.349CS..Hα-helixtrans-59.8-38.9175.5-73169.3000112.4I253 G261 I262 Y264 K1117 A1120 L1121I253-L257 HydrophobicContact CG2-CD1 3.86Å; I253-L257 HydrophobicContact CG2-CG 4.41Å; I253-L257 WeakPolarHBondContact O-CB 3.47Å; I253-L257 VanDerWaalsContact O-CG 3.29Å; I253-L257 WeakPolarHBondContact O-CG 3.29Å; I253-L257 PolarHBondContact O-N 3.48Å; L257-G261 PolarHBondContact O-N 2.83Å; L257-G261 VanDerWaalsContact O-N 3.13Å; L257-I262 HydrophobicContact CD2-CB 4.18Å; L257-I262 HydrophobicContact CD2-CG2 3.93Å; L257-I262 PolarHBondContact O-N 3.05Å; L257-Y264 HydrophobicContact CD1-CD1 4.2Å; L257-K1117 HydrophobicContact CD1-CB 3.88Å; L257-K1117 HydrophobicContact CD1-CG 4.08Å; L257-A1120 HydrophobicContact CD1-CB 4.34Å; L257-A1120 HydrophobicContact CD2-CB 3.84Å; L257-L1121 HydrophobicContact CD2-CD2 3.97Å; L257-L1121 HydrophobicContact CG-CD2 4.16Å
258T86.3Confident81.3Confident112 Ų11263.3 Ų63.369%0.68735%0.353SS*.Hα-helixtrans-66.7-39.2176-55.20000111.3S254 D255 Y256 G261S254-T258 WeakPolarHBondContact O-CB 3.5Å; S254-T258 PolarHBondContact O-N 3.47Å; S254-T258 PolarHBondContact O-OG1 3.02Å; D255-T258 PolarHBondContact O-N 3.17Å; Y256-T258 VanDerWaalsContact C-N 3.28Å; Y256-T258 PolarHBondContact O-N 3.16Å; T258-G261 PolarHBondContact O-N 3.26Å
259T82.4Confident80.1Confident115 Ų11563 Ų6371%0.70635%0.353SS*.Hα-helixtrans-67.1-41.1178.5-57.80000112.2D255 Y256 G261D255-T259 WeakPolarHBondContact O-CB 3.4Å; D255-T259 PolarHBondContact O-N 3.46Å; D255-T259 PolarHBondContact O-OG1 3.11Å; Y256-T259 PolarHBondContact O-N 2.86Å; Y256-T259 VanDerWaalsContact O-N 3.14Å; T259-G261 VanDerWaalsContact C-N 3.28Å; T259-G261 PolarHBondContact O-N 3.48Å
260E74.5Confident79Confident51 Ų5166.1 Ų66.124%0.23839%0.386CS..THydrogen-bonded Turntrans-79.9-6.4177.3-64.3-69.1163.500113.6Y256 I262 A1159Y256-E260 HydrophobicContact CD1-CG 4.44Å; Y256-E260 HydrophobicContact CD2-CG 4.29Å; Y256-E260 HydrophobicContact CE1-CG 3.89Å; Y256-E260 HydrophobicContact CE2-CG 3.68Å; Y256-E260 VanDerWaalsContact CE2-OE1 3.28Å; Y256-E260 WeakPolarHBondContact CE2-OE1 3.31Å; Y256-E260 VanDerWaalsContact CZ-CG 3.43Å; Y256-E260 PolarHBondContact O-N 3.33Å; Y256-E260 VanDerWaalsContact OH-CD 3.29Å; Y256-E260 WeakPolarHBondContact OH-CG 3.22Å; Y256-E260 PolarHBondContact OH-OE1 3.46Å; E260-I262 HydrophobicContact CB-CD1 3.88Å; E260-I262 HydrophobicContact CB-CG1 4.17Å; E260-A1159 WeakPolarHBondContact OE1-CB 3.48Å
261G80.9Confident77.6Confident58 Ų5866 Ų6660%0.59839%0.39SS*.THydrogen-bonded Turntrans67.232.6-178.300000114.1L257 T258 T259L257-G261 PolarHBondContact O-N 2.83Å; L257-G261 VanDerWaalsContact O-N 3.13Å; T258-G261 PolarHBondContact O-N 3.26Å; T259-G261 VanDerWaalsContact C-N 3.28Å; T259-G261 PolarHBondContact O-N 3.48Å
262I79.6Confident76.1Confident15 Ų1569.3 Ų69.38%0.07741%0.411CS..  trans-104114-173.1-71169.7000111.1L257 E260 A1120 R1123 C1124L257-I262 HydrophobicContact CD2-CB 4.18Å; L257-I262 HydrophobicContact CD2-CG2 3.93Å; L257-I262 PolarHBondContact O-N 3.05Å; E260-I262 HydrophobicContact CB-CD1 3.88Å; E260-I262 HydrophobicContact CB-CG1 4.17Å; I262-A1120 HydrophobicContact CG2-CB 4.28Å; I262-R1123 HydrophobicContact CD1-CB 4.42Å; I262-R1123 HydrophobicContact CG2-CB 4.1Å; I262-C1124 HydrophobicContact CD1-CB 4.26Å; I262-C1124 WeakPolarHBondContact CD1-SG 3.25Å
263N82Confident75.3Confident134 Ų13473.8 Ų73.872%0.71743%0.429SS*.  trans-73.1146.5177.2-63-28.1000112.1
264Y84.6Confident74.8Confident88 Ų8876.9 Ų76.935%0.34545%0.452SS..  trans-120.5164.6172.557.9-88.7000110.7L257 V1113 A1116 K1117L257-Y264 HydrophobicContact CD1-CD1 4.2Å; Y264-V1113 HydrophobicContact CE2-CG1 4.3Å; Y264-A1116 HydrophobicContact CD2-CB 4.24Å; Y264-K1117 HydrophobicContact CD1-CG 4.14Å; Y264-K1117 HydrophobicContact CD2-CG 4.07Å; Y264-K1117 HydrophobicContact CE1-CG 4.11Å; Y264-K1117 HydrophobicContact CE2-CG 4.03Å; Y264-K1117 HydrophobicContact CG-CG 4.12Å
265V83.2Confident74.6Confident30 Ų3078.6 Ų78.618%0.18246%0.461CS..  trans-72.5129.6178.5-176.10000110.3A267 V275 T279 A1116V265-A267 PolarHBondContact O-N 2.71Å; V265-V275 HydrophobicContact CG1-CG1 4.21Å; V265-T279 HydrophobicContact CG2-CG2 3.63Å; V265-A1116 HydrophobicContact CB-CB 4.41Å; V265-A1116 VanDerWaalsContact O-CB 3.23Å; V265-A1116 WeakPolarHBondContact O-CB 3.3Å
266E75Confident74.5Confident168 Ų16877.6 Ų77.679%0.78546%0.461SS*.  trans-74.172.9171.5-68.2-162.7145.200111.3T268E266-T268 PolarHBondContact O-N 3.06Å; E266-T268 VanDerWaalsContact O-N 3.1Å
267A67.1Low74.6Confident6 Ų676.8 Ų76.85%0.0546%0.458CS..  trans-69.7102.1179.300000111.2V265 L277 L1095 P1112 A1116V265-A267 PolarHBondContact O-N 2.71Å; A267-L277 HydrophobicContact CB-CD2 3.78Å; A267-L1095 HydrophobicContact CB-CD2 4.29Å; A267-P1112 HydrophobicContact CB-CB 3.64Å; A267-A1116 HydrophobicContact CB-CB 4.47Å
268T65.3Low74.4Confident110 Ų11079 Ų7968%0.67547%0.469SS*.  trans-99.6138.2175.443.20000111.1E266E266-T268 PolarHBondContact O-N 3.06Å; E266-T268 VanDerWaalsContact O-N 3.1Å
269S59.5Low73.7Confident81 Ų8176 Ų7657%0.56645%0.45SS*.THydrogen-bonded Turntrans-67.4137.5179.4-76.30000112.3D1098S269-D1098 WeakPolarHBondContact CA-OD1 3.41Å; S269-D1098 WeakPolarHBondContact CB-OD1 3.5Å; S269-D1098 PolarHBondContact OG-OD1 3.04Å
270G59Low72.8Confident68 Ų6878.1 Ų78.170%0.70145%0.452SS*.THydrogen-bonded Turntrans105.712.4172.500000117.2
271S55.5Low71.9Confident50 Ų5078.6 Ų78.635%0.3546%0.457SS..  trans-71.7138167.762.70000111.4E273S271-E273 PolarHBondContact OG-O 2.85Å
272L56.1Low70.2Confident177 Ų17782.5 Ų82.593%0.92746%0.463SS*.SBendtrans-86.4-14.6177.3-103.8157.5000113.6
273E64.9Low68.6Low165 Ų16585.2 Ų85.277%0.77148%0.478SS*.SBendtrans-103.3149.9174.5-62.8-179.5152.600109.3S271S271-E273 PolarHBondContact OG-O 2.85Å
274S74.6Confident66.8Low68 Ų6883.1 Ų83.148%0.47647%0.467SS..  trans-75.7134.218065.70000111.5E1094 L1095 C1096S274-E1094 WeakPolarHBondContact CB-OE2 3.49Å; S274-E1094 PolarHBondContact OG-OE2 3.13Å; S274-L1095 WeakPolarHBondContact CA-O 3.47Å; S274-C1096 WeakPolarHBondContact CB-SG 3.5Å
275V82.4Confident65Low51 Ų5182.3 Ų82.331%0.30947%0.474SS..EExtended strand (participates in β ladder)trans-112.6116.7-175.7-1790000109.6V265 L277 E1094 L1095V265-V275 HydrophobicContact CG1-CG1 4.21Å; V275-L277 PolarHBondContact O-N 2.82Å; V275-E1094 CarbonylContact O-C 3.49Å; V275-E1094 WeakPolarHBondContact O-CA 3.49Å; V275-L1095 HydrophobicContact CB-CB 4.44Å; V275-L1095 PolarHBondContact N-O 2.82Å; V275-L1095 PolarHBondContact O-N 3.05Å
276S85.2Confident63.3Low61 Ų6182.2 Ų82.243%0.42748%0.475SS..EExtended strand (participates in β ladder)trans-62.8126.8170178.60000110.3I278S276-I278 VanDerWaalsContact C-N 3.34Å; S276-I278 PolarHBondContact OG-N 3.2Å; S276-I278 PolarHBondContact OG-O 3.36Å
277L84.4Confident62Low3 Ų381.3 Ų81.32%0.01647%0.472CS..  trans-86.9-8.2172.1-55.7-173.4000112.2A267 V275 V1093 L1095 V1100 A1115 A1116 V1119A267-L277 HydrophobicContact CB-CD2 3.78Å; V275-L277 PolarHBondContact O-N 2.82Å; L277-V1093 HydrophobicContact CB-CG1 4.34Å; L277-V1093 HydrophobicContact CD1-CG1 4.22Å; L277-V1093 PolarHBondContact N-O 2.7Å; L277-L1095 HydrophobicContact CD2-CB 4.27Å; L277-V1100 HydrophobicContact CD1-CG1 4.16Å; L277-V1100 HydrophobicContact CD1-CG2 4.34Å; L277-A1115 HydrophobicContact CD1-CB 3.85Å; L277-A1116 HydrophobicContact CD2-CB 4.45Å; L277-V1119 HydrophobicContact CB-CG2 4.48Å; L277-V1119 VanDerWaalsContact O-CG1 3.29Å; L277-V1119 WeakPolarHBondContact O-CG1 3.45Å
278I80.9Confident61.2Low49 Ų4983.5 Ų83.525%0.25149%0.486SS..PPolyproline II helixtrans-85.3119.9174-56.8178000108.5S276 K1091 V1093 V1119S276-I278 VanDerWaalsContact C-N 3.34Å; S276-I278 PolarHBondContact OG-N 3.2Å; S276-I278 PolarHBondContact OG-O 3.36Å; I278-K1091 WeakPolarHBondContact CD1-O 3.42Å; I278-V1093 HydrophobicContact CD1-CB 4.44Å; I278-V1093 HydrophobicContact CD1-CG2 4.21Å; I278-V1093 HydrophobicContact CG1-CB 4.18Å; I278-V1093 HydrophobicContact CG1-CG2 4.28Å; I278-V1119 HydrophobicContact CB-CG1 4.39Å; I278-V1119 HydrophobicContact CG1-CG1 3.79Å
279T71.2Confident60.5Low47 Ų4780.7 Ų80.729%0.28847%0.469SS..PPolyproline II helixtrans-95.3131.4168.141.20000110.3V265 R1123V265-T279 HydrophobicContact CG2-CG2 3.63Å; T279-R1123 PolarHBondContact OG1-NH1 2.86Å
280E62.1Low59.6Low161 Ų16181.3 Ų81.375%0.75247%0.469SS*.PPolyproline II helixtrans-69.1147-177.8-62.8-171.7158.300113N282 R1123E280-N282 PolarHBondContact O-N 3.42Å; E280-R1123 PolarHBondContact O-NH2 2.9Å
281D55.8Low58.7Low61 Ų6180.8 Ų80.833%0.32645%0.45SS..  trans-83.688.3176.5-78.4-35.1000111.4D283 R1123 N1126D281-D283 PolarHBondContact O-N 3.19Å; D281-R1123 IonicContact OD1-CZ 3.69Å; D281-R1123 IonicContact OD1-NE 2.77Å; D281-R1123 PolarHBondContact OD1-NE 3.32Å; D281-R1123 IonicContact OD1-NH2 2.72Å; D281-R1123 PolarHBondContact OD1-NH2 3.24Å; D281-N1126 PolarHBondContact OD2-ND2 3.15Å; D281-N1126 VanDerWaalsContact OD2-ND2 3.15Å
282N45.7Very low57.8Low139 Ų13986.8 Ų86.874%0.74347%0.472SS*.  trans-68-2.6164.4-79.6-20000113.5E280 D284E280-N282 PolarHBondContact O-N 3.42Å; N282-D284 PolarHBondContact O-N 3.39Å
283D46.3Very low56.9Low72 Ų7281.6 Ų81.639%0.38545%0.445SS..  trans-82.464-176.6-153.55.4000110.2D281 S285 R1127D281-D283 PolarHBondContact O-N 3.19Å; D283-S285 PolarHBondContact O-N 2.63Å; D283-S285 PolarHBondContact O-OG 3.27Å; D283-R1127 IonicContact OD2-CZ 3.02Å; D283-R1127 VanDerWaalsContact OD2-CZ 3.25Å; D283-R1127 IonicContact OD2-NE 3.5Å; D283-R1127 PolarHBondContact OD2-NE 2.74Å; D283-R1127 IonicContact OD2-NH2 3.81Å; D283-R1127 PolarHBondContact OD2-NH2 2.8Å
284D45.1Very low55.6Low91 Ų9180 Ų8049%0.48745%0.447SS..  trans-63.526.2-174-103.2-27.8000115N282 S286 K841N282-D284 PolarHBondContact O-N 3.39Å; D284-S286 PolarHBondContact O-N 2.86Å; D284-K841 VanDerWaalsContact OD1-CE 3.29Å; D284-K841 WeakPolarHBondContact OD1-CE 3.3Å; D284-K841 IonicContact OD1-NZ 2.71Å; D284-K841 PolarHBondContact OD1-NZ 3.09Å; D284-K841 IonicContact OD2-NZ 2.95Å; D284-K841 PolarHBondContact OD2-NZ 3.38Å
285S46.4Very low54.4Low70 Ų7079 Ų7949%0.4944%0.436SS..  trans-54.15169.363.60000115.8D283 M287D283-S285 PolarHBondContact O-N 2.63Å; D283-S285 PolarHBondContact O-OG 3.27Å; S285-M287 PolarHBondContact O-N 3.19Å
286S47.7Very low53.4Low28 Ų2879.1 Ų79.120%0.19644%0.439CS..  trans-71.970.6158.856.50000110.5D284 P288D284-S286 PolarHBondContact O-N 2.86Å; S286-P288 WeakPolarHBondContact O-CD 3.34Å; S286-P288 VanDerWaalsContact O-N 3.17Å
287M47.7Very low53Low149 Ų14976.4 Ų76.473%0.73442%0.42SS*.  trans-48.8122.5160.8-69.6-100.674.400107.9S285S285-M287 PolarHBondContact O-N 3.19Å
288P49.3Very low52.8Low52 Ų5279.3 Ų79.334%0.33843%0.43SS..  trans-61.2147.2170.827.1-33.5000108.3S286 V290 T840 Q844S286-P288 WeakPolarHBondContact O-CD 3.34Å; S286-P288 VanDerWaalsContact O-N 3.17Å; P288-V290 HydrophobicContact CG-CG2 4.27Å; P288-V290 WeakPolarHBondContact O-CG2 3.14Å; P288-V290 PolarHBondContact O-N 3.17Å; P288-T840 HydrophobicContact CB-CG2 4.35Å; P288-Q844 HydrophobicContact CB-CB 4.05Å
289V51Low53.2Low51 Ų5178.3 Ų78.331%0.30942%0.423SS..  trans-70.298.2172.5-178.60000107.6D291 L845 A847V289-D291 PolarHBondContact O-N 2.99Å; V289-L845 PolarHBondContact N-O 2.92Å; V289-A847 HydrophobicContact CG2-CB 4.47Å
290V40.9Very low54.1Low95 Ų9577 Ų7758%0.57642%0.417SS*.  trans-76.860.6179.1-163.40000110.4P288 H292P288-V290 HydrophobicContact CG-CG2 4.27Å; P288-V290 WeakPolarHBondContact O-CG2 3.14Å; P288-V290 PolarHBondContact O-N 3.17Å; V290-H292 VanDerWaalsContact C-N 3.32Å; V290-H292 WeakPolarHBondContact CG1-NE2 3.41Å; V290-H292 PolarHBondContact O-N 2.94Å
291D40.5Very low55.3Low57 Ų5772.9 Ų72.931%0.30540%0.404SS..  trans-69.695.5159.8-82.4-31.1000106.6V289 L293 R850 K1140V289-D291 PolarHBondContact O-N 2.99Å; D291-L293 PolarHBondContact O-N 2.95Å; D291-R850 IonicContact OD2-CZ 3.25Å; D291-R850 IonicContact OD2-NE 3.81Å; D291-R850 IonicContact OD2-NH2 2.74Å; D291-R850 PolarHBondContact OD2-NH2 2.82Å; D291-K1140 IonicContact OD1-NZ 3.66Å
292H35Very low56.9Low175 Ų17570.7 Ų70.781%0.8139%0.393SS*.  trans-64.318.6-178.4-90.8-56.7000115V290V290-H292 VanDerWaalsContact C-N 3.32Å; V290-H292 WeakPolarHBondContact CG1-NE2 3.41Å; V290-H292 PolarHBondContact O-N 2.94Å
293L37Very low58.9Low68 Ų6865.5 Ų65.536%0.35637%0.365SS..SBendtrans-108.6122.5173.5-77.376.9000109.5D291 N295 R298D291-L293 PolarHBondContact O-N 2.95Å; L293-N295 WeakPolarHBondContact CB-OD1 3.43Å; L293-N295 WeakPolarHBondContact CD2-OD1 3.3Å; L293-N295 PolarHBondContact O-N 3.37Å; L293-R298 VanDerWaalsContact CD2-NH2 3.34Å
294V39.3Very low60.8Low133 Ų13363.7 Ų63.781%0.80635%0.354SS*.  trans-65.886.9155.3179.90000106.6S296V294-S296 PolarHBondContact O-N 3.31Å
295N48.4Very low62.9Low47 Ų4760.8 Ų60.825%0.25134%0.339SS..  trans-76.466.4-176.1-84.9-31.7000111.3L293 V297 L805L293-N295 WeakPolarHBondContact CB-OD1 3.43Å; L293-N295 WeakPolarHBondContact CD2-OD1 3.3Å; L293-N295 PolarHBondContact O-N 3.37Å; N295-V297 PolarHBondContact O-N 2.97Å; N295-L805 VanDerWaalsContact O-O 3.1Å
296S61.9Low64.8Low53 Ų5357.8 Ų57.837%0.37132%0.317SS..  trans-50.5124.4151.456.60000107.9V294 R298V294-S296 PolarHBondContact O-N 3.31Å; S296-R298 PolarHBondContact O-N 3.12Å
297V76.6Confident66.8Low4 Ų457.7 Ų57.72%0.02431%0.314CS..  trans-49.7104.1-175.3172.90000110N295 W299 M466 L470 I494 L498N295-V297 PolarHBondContact O-N 2.97Å; V297-W299 PolarHBondContact O-N 3.44Å; V297-M466 HydrophobicContact CG1-CB 4.07Å; V297-M466 HydrophobicContact CG1-CG 4.1Å; V297-M466 WeakPolarHBondContact CG1-O 3.25Å; V297-M466 HydrophobicContact CG2-CB 3.86Å; V297-M466 HydrophobicContact CG2-CG 4.32Å; V297-M466 WeakPolarHBondContact CG2-O 3.16Å; V297-L470 HydrophobicContact CG1-CB 4.44Å; V297-L470 HydrophobicContact CG1-CD1 3.65Å; V297-L470 HydrophobicContact CG1-CG 3.76Å; V297-I494 HydrophobicContact CG2-CG2 4.17Å; V297-L498 HydrophobicContact CB-CD1 4.14Å; V297-L498 HydrophobicContact CB-CD2 4.08Å; V297-L498 HydrophobicContact CG1-CD1 4.14Å; V297-L498 WeakPolarHBondContact O-CD2 3.38Å
298R80.9Confident68.8Low63 Ų6350.8 Ų50.824%0.23828%0.28CS..  trans-64132.7-172.5-71.6-172.8178.6-162.9-3.6110D22 D37 L293 S296 G469 L470D22-R298 IonicContact OD2-CZ 2.78Å; D22-R298 IonicContact OD2-NH1 3.19Å; D22-R298 PolarHBondContact OD2-NH1 3.41Å; D22-R298 IonicContact OD2-NH2 3.73Å; D22-R298 PolarHBondContact OD2-NH2 2.87Å; D37-R298 IonicContact OD2-NH1 3.11Å; D37-R298 PolarHBondContact OD2-NH1 3.17Å; L293-R298 VanDerWaalsContact CD2-NH2 3.34Å; S296-R298 PolarHBondContact O-N 3.12Å; R298-G469 CarbonylContact O-C 3.49Å; R298-G469 WeakPolarHBondContact O-CA 3.28Å; R298-L470 PolarHBondContact O-N 3.42Å
299W89.2Confident70.6Confident28 Ų2848.3 Ų48.311%0.10626%0.264CS..EExtended strand (participates in β ladder)trans-121.8152.5175.3-17879.1000111.5V297 P301 V473 Y502 D504 L505V297-W299 PolarHBondContact O-N 3.44Å; W299-P301 HydrophobicContact CH2-CB 4.26Å; W299-V473 PolarHBondContact NE1-O 3.25Å; W299-Y502 HydrophobicContact CB-CD1 4.2Å; W299-Y502 HydrophobicContact CB-CD2 3.63Å; W299-Y502 HydrophobicContact CB-CE1 4.22Å; W299-Y502 HydrophobicContact CB-CE2 3.64Å; W299-Y502 HydrophobicContact CB-CG 3.89Å; W299-Y502 HydrophobicContact CD2-CD1 4.49Å; W299-Y502 HydrophobicContact CD2-CG 4.3Å; W299-Y502 AromaticContact CE3-CD1 3.68Å; W299-Y502 HydrophobicContact CE3-CD1 3.68Å; W299-Y502 HydrophobicContact CE3-CE1 4.42Å; W299-Y502 AromaticContact CE3-CG 3.82Å; W299-Y502 HydrophobicContact CE3-CG 3.82Å; W299-Y502 HydrophobicContact CG-CD2 4.45Å; W299-Y502 HydrophobicContact CG-CG 4.37Å; W299-Y502 PolarHBondContact N-OH 2.88Å; W299-D504 HydrophobicContact CH2-CB 3.63Å; W299-D504 HydrophobicContact CZ3-CB 3.97Å; W299-L505 HydrophobicContact CD2-CB 4.32Å; W299-L505 HydrophobicContact CZ2-CB 4.12Å
300S88.5Confident72Confident21 Ų2148.2 Ų48.215%0.14726%0.264CS..EExtended strand (participates in β ladder)trans-151.6154.7166.973.30000109.3G472S300-G472 PolarHBondContact O-N 3.2Å; S300-G472 PolarHBondContact OG-N 2.99Å
301P88.1Confident73.9Confident74 Ų7444 Ų4448%0.48124%0.24SC..SBendtrans-60.1168.9163.928.6-36000111.2W299 I303W299-P301 HydrophobicContact CH2-CB 4.26Å; P301-I303 PolarHBondContact O-N 3.32Å
302P89.1Confident75.7Confident15 Ų1542.4 Ų42.410%0.09723%0.23CC..  trans-52.2125172.1-30.940.2000112.6
303I87.6Confident77.9Confident30 Ų3034.8 Ų34.815%0.15420%0.195CC..  trans-115156.1-179.647.9166.7000109.9P301 F306 Y449P301-I303 PolarHBondContact O-N 3.32Å; I303-F306 HydrophobicContact CD1-CB 3.97Å; I303-F306 HydrophobicContact CD1-CD1 4.32Å; I303-F306 HydrophobicContact CD1-CD2 4.22Å; I303-F306 HydrophobicContact CD1-CG 3.92Å; I303-F306 HydrophobicContact CG1-CB 3.76Å; I303-F306 HydrophobicContact CG1-CD1 4.25Å; I303-F306 HydrophobicContact CG1-CG 4.06Å; I303-Y449 WeakPolarHBondContact O-CE1 3.42Å; I303-Y449 PolarHBondContact O-OH 3.43Å
304M87.1Confident80.2Confident33 Ų3332.3 Ų32.316%0.16318%0.182CC..THydrogen-bonded Turntrans-64.5156.3178.1-76.3-158.360.300113F306 M322 L324M304-F306 PolarHBondContact O-N 3.36Å; M304-M322 WeakPolarHBondContact CE-O 3.41Å; M304-L324 HydrophobicContact CG-CD2 4.41Å; M304-L324 HydrophobicContact CG-CG 4.01Å
305N88.1Confident81.8Confident31 Ų3131.7 Ų31.717%0.16617%0.17CC..THydrogen-bonded Turntrans50.529.4176.5-162.34.6000114.7Q313 I314 S320 Y449N305-Q313 HydrophobicContact CB-CG 4.44Å; N305-Q313 CarbonylContact O-C 3.06Å; N305-Q313 VanDerWaalsContact O-CA 3.28Å; N305-Q313 WeakPolarHBondContact O-CA 3.15Å; N305-Q313 WeakPolarHBondContact O-CG 3.38Å; N305-I314 PolarHBondContact O-N 3Å; N305-I314 WeakPolarHBondContact OD1-CB 3.42Å; N305-I314 PolarHBondContact OD1-N 3.3Å; N305-I314 PolarHBondContact OD1-O 2.98Å; N305-S320 WeakPolarHBondContact OD1-CA 3.34Å; N305-S320 VanDerWaalsContact OD1-CB 3.26Å; N305-S320 WeakPolarHBondContact OD1-CB 3.46Å; N305-Y449 PolarHBondContact N-OH 3.1Å
306F87.8Confident82.8Confident7 Ų736.4 Ų36.43%0.03120%0.196CC..EExtended strand (participates in β ladder)trans-128.1138.2-175.2-168.5-101.4000112Y48 I303 M304 Y449 Q471Y48-F306 HydrophobicContact CD1-CD2 4Å; Y48-F306 HydrophobicContact CD1-CE2 4.32Å; Y48-F306 HydrophobicContact CE1-CD2 4.06Å; Y48-F306 HydrophobicContact CE1-CE2 4.06Å; Y48-F306 HydrophobicContact CE2-CE2 4.42Å; Y48-F306 HydrophobicContact CG-CD2 4.46Å; I303-F306 HydrophobicContact CD1-CB 3.97Å; I303-F306 HydrophobicContact CD1-CD1 4.32Å; I303-F306 HydrophobicContact CD1-CD2 4.22Å; I303-F306 HydrophobicContact CD1-CG 3.92Å; I303-F306 HydrophobicContact CG1-CB 3.76Å; I303-F306 HydrophobicContact CG1-CD1 4.25Å; I303-F306 HydrophobicContact CG1-CG 4.06Å; M304-F306 PolarHBondContact O-N 3.36Å; F306-Y449 PolarHBondContact N-OH 2.7Å; F306-Y449 VanDerWaalsContact N-OH 3.15Å; F306-Y449 PolarHBondContact O-OH 2.83Å; F306-Q471 HydrophobicContact CE1-CB 3.88Å; F306-Q471 WeakPolarHBondContact CE1-O 3.38Å; F306-Q471 HydrophobicContact CZ-CB 4.07Å
307N89.3Confident83.2Confident26 Ų2635.6 Ų35.614%0.13920%0.196CC..EExtended strand (participates in β ladder)trans-106.4107.6173.9-178.8-21.5000109.4W309 T310 G311 K312 I314 P448N307-W309 PolarHBondContact O-N 2.93Å; N307-W309 WeakPolarHBondContact OD1-CA 3.3Å; N307-W309 WeakPolarHBondContact OD1-CB 3.31Å; N307-W309 PolarHBondContact OD1-N 2.91Å; N307-T310 WeakPolarHBondContact CB-OG1 3.37Å; N307-T310 VanDerWaalsContact CG-OG1 3.29Å; N307-T310 PolarHBondContact O-N 3.42Å; N307-T310 PolarHBondContact OD1-N 3.42Å; N307-G311 WeakPolarHBondContact O-CA 3.43Å; N307-G311 PolarHBondContact O-N 2.84Å; N307-K312 PolarHBondContact N-O 3Å; N307-K312 PolarHBondContact O-N 3.32Å; N307-I314 HydrophobicContact CB-CG1 4.09Å; N307-P448 HydrophobicContact CB-CB 4.15Å; N307-P448 HydrophobicContact CB-CG 4.33Å
308P88.8Confident83.1Confident3 Ų337.8 Ų37.82%0.01921%0.207CC..THydrogen-bonded Turntrans-69.3-17.2-178.431.1-37.1000113.1N405 P448 R465 Q471 V473P308-N405 HydrophobicContact CG-CB 4.49Å; P308-P448 WeakPolarHBondContact CD-O 3.43Å; P308-P448 WeakPolarHBondContact CG-O 3.44Å; P308-R465 WeakPolarHBondContact O-CD 3.44Å; P308-R465 PolarHBondContact O-NE 3.41Å; P308-Q471 WeakPolarHBondContact CB-O 3.31Å; P308-V473 HydrophobicContact CB-CG2 4.35Å
309W87Confident83Confident0 Ų037.3 Ų37.30%021%0.205CC..THydrogen-bonded Turntrans-84.2-32.9-178.2-42.7128.6000112.4N307 N405 I407 F445 P446 S447 S451 M453 R465 V473N307-W309 PolarHBondContact O-N 2.93Å; N307-W309 WeakPolarHBondContact OD1-CA 3.3Å; N307-W309 WeakPolarHBondContact OD1-CB 3.31Å; N307-W309 PolarHBondContact OD1-N 2.91Å; W309-N405 HydrophobicContact CH2-CB 3.82Å; W309-N405 HydrophobicContact CZ2-CB 3.81Å; W309-I407 HydrophobicContact CH2-CG1 4.41Å; W309-I407 HydrophobicContact CZ3-CD1 4.31Å; W309-I407 HydrophobicContact CZ3-CG1 3.74Å; W309-F445 HydrophobicContact CB-CD1 3.85Å; W309-F445 HydrophobicContact CB-CE1 4.43Å; W309-F445 HydrophobicContact CB-CG 4.43Å; W309-P446 HydrophobicContact CD2-CG 4.45Å; W309-P446 HydrophobicContact CG-CG 4.4Å; W309-S447 PolarHBondContact NE1-O 3.16Å; W309-S451 VanDerWaalsContact CZ2-OG 3.31Å; W309-S451 WeakPolarHBondContact CZ2-OG 3.48Å; W309-S451 PolarHBondContact NE1-OG 3Å; W309-M453 HydrophobicContact CB-SD 4.35Å; W309-M453 HydrophobicContact CD2-CB 4.41Å; W309-M453 HydrophobicContact CD2-CE 4.49Å; W309-M453 HydrophobicContact CD2-SD 4.26Å; W309-M453 HydrophobicContact CE3-CB 4.04Å; W309-M453 HydrophobicContact CE3-CE 3.52Å; W309-M453 HydrophobicContact CE3-SD 3.83Å; W309-M453 HydrophobicContact CH2-CB 4.23Å; W309-M453 HydrophobicContact CZ3-CB 3.95Å; W309-M453 HydrophobicContact CZ3-CE 3.9Å; W309-R465 VanDerWaalsContact O-CZ 3.25Å; W309-R465 PolarHBondContact O-NE 3.09Å; W309-R465 VanDerWaalsContact O-NE 3.08Å; W309-R465 PolarHBondContact O-NH2 3.38Å; W309-V473 HydrophobicContact CZ3-CG2 4.46Å
310T81.5Confident82.5Confident49 Ų4937.1 Ų37.130%0.30121%0.208SC..THydrogen-bonded Turntrans-95.4-24.1170.962.30000112.9N307 K312 R465N307-T310 WeakPolarHBondContact CB-OG1 3.37Å; N307-T310 VanDerWaalsContact CG-OG1 3.29Å; N307-T310 PolarHBondContact O-N 3.42Å; N307-T310 PolarHBondContact OD1-N 3.42Å; T310-K312 VanDerWaalsContact C-N 3.33Å; T310-R465 PolarHBondContact O-NH2 2.85Å
311G79.9Confident82.2Confident7 Ų736.7 Ų36.77%0.07221%0.205CC..THydrogen-bonded Turntrans75.422.9-17600000113.2H35 N307 R465H35-G311 PolarHBondContact CE1-O 3.14Å; H35-G311 VanDerWaalsContact CE1-O 3.23Å; N307-G311 WeakPolarHBondContact O-CA 3.43Å; N307-G311 PolarHBondContact O-N 2.84Å; G311-R465 VanDerWaalsContact CA-NH1 3.34Å
312K78.4Confident81.9Confident23 Ų2334.5 Ų34.510%0.119%0.188CC..EExtended strand (participates in β ladder)trans-123166.7-173.5-57.4-172.1-176.6-165.30110.7N307 T310N307-K312 PolarHBondContact N-O 3Å; N307-K312 PolarHBondContact O-N 3.32Å; T310-K312 VanDerWaalsContact C-N 3.33Å
313Q82.2Confident81.9Confident15 Ų1535 Ų357%0.0719%0.191CC..EExtended strand (participates in β ladder)trans-66.9156.8167.3-134.4152.5300110.2Y48 G49 C50 T60 N305 E315Y48-Q313 HydrophobicContact CD1-CB 4.19Å; Y48-Q313 HydrophobicContact CD1-CG 3.89Å; Y48-Q313 HydrophobicContact CE1-CB 3.91Å; Y48-Q313 HydrophobicContact CE1-CG 4.14Å; Y48-Q313 PolarHBondContact O-NE2 3.06Å; G49-Q313 VanDerWaalsContact CA-OE1 3.3Å; C50-Q313 HydrophobicContact CB-CB 3.99Å; T60-Q313 VanDerWaalsContact CG2-OE1 3.29Å; N305-Q313 HydrophobicContact CB-CG 4.44Å; N305-Q313 CarbonylContact O-C 3.06Å; N305-Q313 VanDerWaalsContact O-CA 3.28Å; N305-Q313 WeakPolarHBondContact O-CA 3.15Å; N305-Q313 WeakPolarHBondContact O-CG 3.38Å; Q313-E315 PolarHBondContact O-N 3.34Å
314I84.7Confident82Confident17 Ų1735 Ų359%0.08719%0.191CC..  trans-87.5100176-57.8172.8000107.7N305 N307 D316 W319 S320 P448 Y449N305-I314 PolarHBondContact O-N 3Å; N305-I314 WeakPolarHBondContact OD1-CB 3.42Å; N305-I314 PolarHBondContact OD1-N 3.3Å; N305-I314 PolarHBondContact OD1-O 2.98Å; N307-I314 HydrophobicContact CB-CG1 4.09Å; I314-D316 VanDerWaalsContact C-N 3.33Å; I314-D316 WeakPolarHBondContact CG2-O 3.02Å; I314-D316 PolarHBondContact O-N 3.44Å; I314-W319 HydrophobicContact CD1-CB 3.7Å; I314-W319 HydrophobicContact CG2-CB 4.23Å; I314-S320 VanDerWaalsContact O-CB 3.31Å; I314-S320 WeakPolarHBondContact O-CB 3.48Å; I314-P448 HydrophobicContact CD1-CB 3.73Å; I314-P448 HydrophobicContact CD1-CG 3.88Å; I314-P448 HydrophobicContact CG1-CG 4.47Å; I314-Y449 HydrophobicContact CD1-CE2 3.68Å
315E74Confident82.3Confident120 Ų12039.8 Ų39.856%0.56121%0.213SC*.  trans-69.4-29.3-174.2-66.5173.1-175.900112.4Q313Q313-E315 PolarHBondContact O-N 3.34Å
316D67.7Low82.4Confident146 Ų14643 Ų4378%0.78123%0.227SC*.SBendtrans-140.3147.6-176.9-86.8-58.4000114.6I314I314-D316 VanDerWaalsContact C-N 3.33Å; I314-D316 WeakPolarHBondContact CG2-O 3.02Å; I314-D316 PolarHBondContact O-N 3.44Å
317G71.9Confident82.6Confident36 Ų3642.6 Ų42.637%0.37123%0.226SC..SBendtrans94.5173.7167.400000116.4W319 S320G317-W319 PolarHBondContact O-N 3.04Å; G317-S320 PolarHBondContact O-N 3.27Å; G317-S320 VanDerWaalsContact O-N 3.09Å; G317-S320 PolarHBondContact O-OG 3.14Å
318N73.7Confident82.9Confident49 Ų4941.5 Ų41.526%0.26222%0.22SC..Hα-helixtrans-42.8-35.8-174.5-111.311.2000115.2S95 S320 T321 M322S95-N318 VanDerWaalsContact CB-OD1 3.3Å; S95-N318 WeakPolarHBondContact CB-OD1 3.46Å; S95-N318 PolarHBondContact N-OD1 3.22Å; S95-N318 WeakPolarHBondContact OG-CB 3.22Å; S95-N318 PolarHBondContact OG-OD1 2.9Å; N318-S320 VanDerWaalsContact C-N 3.28Å; N318-S320 PolarHBondContact O-N 2.65Å; N318-T321 PolarHBondContact O-N 2.95Å; N318-T321 PolarHBondContact O-OG1 3.41Å; N318-M322 HydrophobicContact CB-SD 3.76Å; N318-M322 VanDerWaalsContact CG-SD 3.55Å; N318-M322 WeakPolarHBondContact O-CB 3.25Å; N318-M322 WeakPolarHBondContact O-CG 3.45Å; N318-M322 PolarHBondContact O-N 3.25Å
319W79.4Confident83.1Confident54 Ų5444.2 Ų44.221%0.20524%0.242CC..Hα-helixtrans-72.7-12.2-172.4-52.6122.4000115I314 G317 I327 Y330 L331 Y449I314-W319 HydrophobicContact CD1-CB 3.7Å; I314-W319 HydrophobicContact CG2-CB 4.23Å; G317-W319 PolarHBondContact O-N 3.04Å; W319-I327 HydrophobicContact CE3-CD1 4.27Å; W319-I327 HydrophobicContact CE3-CG1 3.99Å; W319-I327 HydrophobicContact CE3-CG2 4.02Å; W319-I327 HydrophobicContact CZ3-CB 4.4Å; W319-I327 HydrophobicContact CZ3-CG1 4.28Å; W319-I327 HydrophobicContact CZ3-CG2 3.77Å; W319-Y330 AromaticContact CH2-CD1 3.56Å; W319-Y330 HydrophobicContact CH2-CD1 3.56Å; W319-Y330 AromaticContact CH2-CE1 3.59Å; W319-Y330 HydrophobicContact CH2-CE1 3.59Å; W319-Y330 HydrophobicContact CZ2-CE1 4.19Å; W319-Y330 AromaticContact CZ3-CD1 3.94Å; W319-Y330 HydrophobicContact CZ3-CD1 3.94Å; W319-Y330 HydrophobicContact CZ3-CE1 4.36Å; W319-L331 HydrophobicContact CH2-CD2 4.06Å; W319-L331 HydrophobicContact CH2-CG 4.44Å; W319-Y449 HydrophobicContact CB-CD2 4.48Å; W319-Y449 HydrophobicContact CB-CE2 4.08Å; W319-Y449 HydrophobicContact CD2-CD2 4.49Å; W319-Y449 HydrophobicContact CE3-CD2 4.17Å
320S78.3Confident83.4Confident23 Ų2348.9 Ų48.916%0.16126%0.261CS..Hα-helixtrans-82.6-35.4175.563.90000112.5N305 I314 G317 N318N305-S320 WeakPolarHBondContact OD1-CA 3.34Å; N305-S320 VanDerWaalsContact OD1-CB 3.26Å; N305-S320 WeakPolarHBondContact OD1-CB 3.46Å; I314-S320 VanDerWaalsContact O-CB 3.31Å; I314-S320 WeakPolarHBondContact O-CB 3.48Å; G317-S320 PolarHBondContact O-N 3.27Å; G317-S320 VanDerWaalsContact O-N 3.09Å; G317-S320 PolarHBondContact O-OG 3.14Å; N318-S320 VanDerWaalsContact C-N 3.28Å; N318-S320 PolarHBondContact O-N 2.65Å
321T80.9Confident84Confident13 Ų1347 Ų478%0.0825%0.249CC..Hα-helixtrans-92.6-42.3-173.159.90000113R71 D91 N318R71-T321 PolarHBondContact NH1-O 3.06Å; D91-T321 WeakPolarHBondContact O-CA 3.47Å; D91-T321 WeakPolarHBondContact O-CB 3.26Å; D91-T321 WeakPolarHBondContact O-CG2 3.47Å; N318-T321 PolarHBondContact O-N 2.95Å; N318-T321 PolarHBondContact O-OG1 3.41Å
322M83.6Confident84.6Confident27 Ų2750.6 Ų50.613%0.13326%0.263CS..SBendtrans-66.2139.1-173.7-68.7173.767.100113.6M304 N318 Q326 I327M304-M322 WeakPolarHBondContact CE-O 3.41Å; N318-M322 HydrophobicContact CB-SD 3.76Å; N318-M322 VanDerWaalsContact CG-SD 3.55Å; N318-M322 WeakPolarHBondContact O-CB 3.25Å; N318-M322 WeakPolarHBondContact O-CG 3.45Å; N318-M322 PolarHBondContact O-N 3.25Å; M322-Q326 VanDerWaalsContact CA-OE1 3.3Å; M322-Q326 HydrophobicContact CB-CB 4.15Å; M322-Q326 HydrophobicContact CE-CB 3.88Å; M322-Q326 WeakPolarHBondContact CE-O 3.44Å; M322-I327 HydrophobicContact CB-CD1 4.21Å; M322-I327 HydrophobicContact CB-CG1 3.68Å; M322-I327 HydrophobicContact CE-CG1 4.47Å; M322-I327 VanDerWaalsContact O-CD1 3.31Å; M322-I327 WeakPolarHBondContact O-CD1 3.48Å
323T89.2Confident85.3Confident26 Ų2652.2 Ų52.216%0.1628%0.28CS..  trans-70.8161.4175.378.30000112.6E325 Q326 I327T323-E325 WeakPolarHBondContact CB-OE2 3.34Å; T323-E325 PolarHBondContact O-N 2.97Å; T323-E325 PolarHBondContact OG1-OE2 2.85Å; T323-Q326 WeakPolarHBondContact O-CB 3.42Å; T323-Q326 PolarHBondContact O-N 3.49Å; T323-Q326 WeakPolarHBondContact OG1-CG 3.43Å; T323-Q326 PolarHBondContact OG1-N 3.42Å; T323-I327 WeakPolarHBondContact O-CB 3.48Å; T323-I327 VanDerWaalsContact O-CG1 3.26Å; T323-I327 WeakPolarHBondContact O-CG1 3.48Å; T323-I327 PolarHBondContact O-N 3.18Å
324L89.7Confident85.6Confident30 Ų3054 Ų5416%0.15729%0.288CS..Hα-helixtrans-60.2-29.9179.3-64.2178000112.6M304 S328 A402 Y449M304-L324 HydrophobicContact CG-CD2 4.41Å; M304-L324 HydrophobicContact CG-CG 4.01Å; L324-S328 VanDerWaalsContact O-CB 3.27Å; L324-S328 WeakPolarHBondContact O-CB 3.42Å; L324-S328 PolarHBondContact O-N 3.46Å; L324-S328 PolarHBondContact O-OG 3.35Å; L324-A402 HydrophobicContact CB-CB 4.06Å; L324-A402 HydrophobicContact CD2-CB 3.92Å; L324-A402 WeakPolarHBondContact O-CB 3.25Å; L324-Y449 HydrophobicContact CD2-CD1 4.19Å; L324-Y449 HydrophobicContact CD2-CE1 3.85Å
325E91.4Very high85.9Confident134 Ų13454.3 Ų54.363%0.62629%0.289SS*.Hα-helixtrans-70.2-44.2172.8-51.277.3-169.800111.4T323 S328 A329T323-E325 WeakPolarHBondContact CB-OE2 3.34Å; T323-E325 PolarHBondContact O-N 2.97Å; T323-E325 PolarHBondContact OG1-OE2 2.85Å; E325-S328 PolarHBondContact O-N 2.92Å; E325-A329 WeakPolarHBondContact O-CB 3.48Å; E325-A329 PolarHBondContact O-N 2.82Å
326Q91.9Very high86.5Confident97 Ų9754.5 Ų54.545%0.45329%0.288SS..Hα-helixtrans-64.1-41.6176.9-68.6173-23.800111.6M322 T323 A329 Y330M322-Q326 VanDerWaalsContact CA-OE1 3.3Å; M322-Q326 HydrophobicContact CB-CB 4.15Å; M322-Q326 HydrophobicContact CE-CB 3.88Å; M322-Q326 WeakPolarHBondContact CE-O 3.44Å; T323-Q326 WeakPolarHBondContact O-CB 3.42Å; T323-Q326 PolarHBondContact O-N 3.49Å; T323-Q326 WeakPolarHBondContact OG1-CG 3.43Å; T323-Q326 PolarHBondContact OG1-N 3.42Å; Q326-A329 PolarHBondContact O-N 3.47Å; Q326-Y330 WeakPolarHBondContact O-CB 3.26Å; Q326-Y330 PolarHBondContact O-N 3.31Å
327I92.1Very high87.5Confident0 Ų050.7 Ų50.70%027%0.273CS..Hα-helixtrans-62.3-45.1173.9-68.3175.1000109.7W319 M322 T323 Y330 L331 A402 Y449W319-I327 HydrophobicContact CE3-CD1 4.27Å; W319-I327 HydrophobicContact CE3-CG1 3.99Å; W319-I327 HydrophobicContact CE3-CG2 4.02Å; W319-I327 HydrophobicContact CZ3-CB 4.4Å; W319-I327 HydrophobicContact CZ3-CG1 4.28Å; W319-I327 HydrophobicContact CZ3-CG2 3.77Å; M322-I327 HydrophobicContact CB-CD1 4.21Å; M322-I327 HydrophobicContact CB-CG1 3.68Å; M322-I327 HydrophobicContact CE-CG1 4.47Å; M322-I327 VanDerWaalsContact O-CD1 3.31Å; M322-I327 WeakPolarHBondContact O-CD1 3.48Å; T323-I327 WeakPolarHBondContact O-CB 3.48Å; T323-I327 VanDerWaalsContact O-CG1 3.26Å; T323-I327 WeakPolarHBondContact O-CG1 3.48Å; T323-I327 PolarHBondContact O-N 3.18Å; I327-Y330 PolarHBondContact O-N 3.17Å; I327-L331 HydrophobicContact CG2-CD1 3.85Å; I327-L331 WeakPolarHBondContact O-CB 3.34Å; I327-L331 WeakPolarHBondContact O-CD1 3.28Å; I327-L331 WeakPolarHBondContact O-CG 3.25Å; I327-L331 PolarHBondContact O-N 3.17Å; I327-A402 HydrophobicContact CB-CB 3.82Å; I327-A402 HydrophobicContact CG2-CB 3.41Å; I327-A402 VanDerWaalsContact CG2-CB 3.41Å; I327-Y449 HydrophobicContact CD1-CD2 3.84Å; I327-Y449 HydrophobicContact CD1-CE2 3.61Å; I327-Y449 HydrophobicContact CD1-CG 4.46Å; I327-Y449 HydrophobicContact CG2-CD2 3.9Å; I327-Y449 HydrophobicContact CG2-CG 3.88Å
328S94.2Very high88.2Confident2 Ų250.6 Ų50.61%0.01426%0.261CS..Hα-helixtrans-62.7-44.1177-61.30000112.5L324 E325 L331 F332 G399 G401 A402L324-S328 VanDerWaalsContact O-CB 3.27Å; L324-S328 WeakPolarHBondContact O-CB 3.42Å; L324-S328 PolarHBondContact O-N 3.46Å; L324-S328 PolarHBondContact O-OG 3.35Å; E325-S328 PolarHBondContact O-N 2.92Å; S328-L331 PolarHBondContact O-N 3.34Å; S328-F332 WeakPolarHBondContact O-CB 3.49Å; S328-F332 PolarHBondContact O-N 2.87Å; S328-G399 WeakPolarHBondContact CB-O 3.42Å; S328-G399 PolarHBondContact OG-O 2.76Å; S328-G401 PolarHBondContact OG-N 2.91Å; S328-A402 WeakPolarHBondContact OG-CB 3.45Å; S328-A402 PolarHBondContact OG-N 2.95Å
329A93.4Very high88.7Confident60 Ų6050.8 Ų50.850%0.49626%0.26SS..Hα-helixtrans-64.2-40.8177.200000112.2E325 Q326 F332 A333E325-A329 WeakPolarHBondContact O-CB 3.48Å; E325-A329 PolarHBondContact O-N 2.82Å; Q326-A329 PolarHBondContact O-N 3.47Å; A329-F332 PolarHBondContact O-N 3.4Å; A329-A333 WeakPolarHBondContact O-CB 3.22Å; A329-A333 PolarHBondContact O-N 3.31Å
330Y93.4Very high88.9Confident99 Ų9952.5 Ų52.539%0.38828%0.277SS..Hα-helixtrans-62.7-46.8173.9174.2-89.9000111.9W319 Q326 I327 F332 A333 Q334W319-Y330 AromaticContact CH2-CD1 3.56Å; W319-Y330 HydrophobicContact CH2-CD1 3.56Å; W319-Y330 AromaticContact CH2-CE1 3.59Å; W319-Y330 HydrophobicContact CH2-CE1 3.59Å; W319-Y330 HydrophobicContact CZ2-CE1 4.19Å; W319-Y330 AromaticContact CZ3-CD1 3.94Å; W319-Y330 HydrophobicContact CZ3-CD1 3.94Å; W319-Y330 HydrophobicContact CZ3-CE1 4.36Å; Q326-Y330 WeakPolarHBondContact O-CB 3.26Å; Q326-Y330 PolarHBondContact O-N 3.31Å; I327-Y330 PolarHBondContact O-N 3.17Å; Y330-F332 PolarHBondContact O-N 2.85Å; Y330-A333 PolarHBondContact O-N 3.49Å; Y330-Q334 WeakPolarHBondContact O-CB 3.26Å; Y330-Q334 PolarHBondContact O-N 3.37Å; Y330-Q334 PolarHBondContact OH-NE2 3.28Å; Y330-Q334 VanDerWaalsContact OH-NE2 3.16Å
331L93.3Very high89.3Confident9 Ų953.2 Ų53.25%0.04728%0.282CS..Hα-helixtrans-63.9-39.9178.6-69.8164.6000111.8W319 I327 S328 Q334 R335 L396W319-L331 HydrophobicContact CH2-CD2 4.06Å; W319-L331 HydrophobicContact CH2-CG 4.44Å; I327-L331 HydrophobicContact CG2-CD1 3.85Å; I327-L331 WeakPolarHBondContact O-CB 3.34Å; I327-L331 WeakPolarHBondContact O-CD1 3.28Å; I327-L331 WeakPolarHBondContact O-CG 3.25Å; I327-L331 PolarHBondContact O-N 3.17Å; S328-L331 PolarHBondContact O-N 3.34Å; L331-Q334 PolarHBondContact O-N 3.02Å; L331-R335 PolarHBondContact O-N 3.23Å; L331-L396 HydrophobicContact CB-CD2 3.54Å
332F93.1Very high89.6Confident83 Ų8358.4 Ų58.436%0.36431%0.305SS..Hα-helixtrans-62.6-47.9174.1179.6-99.7000111.7S328 A329 Y330 Q334 R335 F336 L396S328-F332 WeakPolarHBondContact O-CB 3.49Å; S328-F332 PolarHBondContact O-N 2.87Å; A329-F332 PolarHBondContact O-N 3.4Å; Y330-F332 PolarHBondContact O-N 2.85Å; F332-Q334 VanDerWaalsContact C-N 3.31Å; F332-Q334 PolarHBondContact O-N 3.08Å; F332-R335 PolarHBondContact O-N 3.37Å; F332-F336 WeakPolarHBondContact O-CB 3.43Å; F332-F336 PolarHBondContact O-N 3.31Å; F332-L396 WeakPolarHBondContact CD2-O 3.37Å
333A92.2Very high89.7Confident56 Ų5660.8 Ų60.846%0.46332%0.324SS..Hα-helixtrans-60.7-39175.600000112.4A329 Y330 F336 S337A329-A333 WeakPolarHBondContact O-CB 3.22Å; A329-A333 PolarHBondContact O-N 3.31Å; Y330-A333 PolarHBondContact O-N 3.49Å; A333-F336 PolarHBondContact O-N 2.95Å; A333-S337 PolarHBondContact O-N 3.49Å; A333-S337 PolarHBondContact O-OG 3.03Å
334Q90.5Very high89.7Confident53 Ų5359.8 Ų59.825%0.24832%0.318CS..Hα-helixtrans-65.4-39.6175.8-161.9-168.89100111.7Y330 L331 F332 S337 R338Y330-Q334 WeakPolarHBondContact O-CB 3.26Å; Y330-Q334 PolarHBondContact O-N 3.37Å; Y330-Q334 PolarHBondContact OH-NE2 3.28Å; Y330-Q334 VanDerWaalsContact OH-NE2 3.16Å; L331-Q334 PolarHBondContact O-N 3.02Å; F332-Q334 VanDerWaalsContact C-N 3.31Å; F332-Q334 PolarHBondContact O-N 3.08Å; Q334-S337 PolarHBondContact O-OG 3.38Å; Q334-R338 PolarHBondContact O-N 3.26Å
335R89Confident89.7Confident24 Ų2462.5 Ų62.59%0.09133%0.328CS..Hα-helixtrans-63.6-49.8170.8175.7176.4154.8-151.1-22.3111.8L331 F332 S337 R338 E339 D393 D397L331-R335 PolarHBondContact O-N 3.23Å; F332-R335 PolarHBondContact O-N 3.37Å; R335-S337 VanDerWaalsContact C-N 3.31Å; R335-S337 PolarHBondContact O-N 3.5Å; R335-R338 WeakPolarHBondContact O-CA 3.34Å; R335-R338 WeakPolarHBondContact O-CB 3.4Å; R335-R338 PolarHBondContact O-N 2.9Å; R335-E339 HydrophobicContact CG-CG 4.44Å; R335-E339 IonicContact CZ-OE1 3.37Å; R335-E339 VanDerWaalsContact CZ-OE1 3.25Å; R335-E339 IonicContact NE-OE1 2.7Å; R335-E339 PolarHBondContact NE-OE1 3.35Å; R335-E339 IonicContact NH2-OE1 3.7Å; R335-E339 PolarHBondContact NH2-OE1 3.39Å; R335-E339 PolarHBondContact O-N 3.41Å; R335-D393 VanDerWaalsContact NH1-CA 3.33Å; R335-D393 PolarHBondContact NH1-O 2.88Å; R335-D393 IonicContact NH1-OD1 3.77Å; R335-D397 IonicContact CZ-OD1 3.59Å; R335-D397 IonicContact CZ-OD2 2.78Å; R335-D397 IonicContact NH1-OD1 3.49Å; R335-D397 PolarHBondContact NH1-OD1 2.89Å; R335-D397 IonicContact NH1-OD2 2.71Å; R335-D397 PolarHBondContact NH1-OD2 2.81Å; R335-D397 IonicContact NH2-OD1 3.75Å; R335-D397 PolarHBondContact NH2-OD1 2.74Å; R335-D397 IonicContact NH2-OD2 3.97Å; R335-D397 PolarHBondContact NH2-OD2 2.68Å; R335-D397 VanDerWaalsContact NH2-OD2 3.11Å
336F87.8Confident89.6Confident124 Ų12461.7 Ų61.754%0.54433%0.327SS..Hα-helixtrans-58.1-41-178.5-174.5-101.3000112.4F332 A333 R338 E339 T340F332-F336 WeakPolarHBondContact O-CB 3.43Å; F332-F336 PolarHBondContact O-N 3.31Å; A333-F336 PolarHBondContact O-N 2.95Å; F336-R338 VanDerWaalsContact C-N 3.33Å; F336-R338 PolarHBondContact O-N 3.5Å; F336-E339 PolarHBondContact O-N 3.42Å; F336-T340 PolarHBondContact O-N 2.85Å
337S87.8Confident89.4Confident66 Ų6660 Ų6046%0.46232%0.32SS..Hα-helixtrans-61.5-36.9174.1640000113.3A333 Q334 R335 T340A333-S337 PolarHBondContact O-N 3.49Å; A333-S337 PolarHBondContact O-OG 3.03Å; Q334-S337 PolarHBondContact O-OG 3.38Å; R335-S337 VanDerWaalsContact C-N 3.31Å; R335-S337 PolarHBondContact O-N 3.5Å; S337-T340 PolarHBondContact O-N 3.06Å; S337-T340 PolarHBondContact O-OG1 3.36Å
338R87.2Confident89.3Confident33 Ų3362.8 Ų62.813%0.12534%0.335CS..Hα-helixtrans-68.5-37174.2-69.5-175.1-67.2-114.2-4.5112.4Q334 R335 F336 T340 S341 Y344 R427 E429Q334-R338 PolarHBondContact O-N 3.26Å; R335-R338 WeakPolarHBondContact O-CA 3.34Å; R335-R338 WeakPolarHBondContact O-CB 3.4Å; R335-R338 PolarHBondContact O-N 2.9Å; F336-R338 VanDerWaalsContact C-N 3.33Å; F336-R338 PolarHBondContact O-N 3.5Å; R338-T340 PolarHBondContact O-N 2.98Å; R338-S341 WeakPolarHBondContact O-CB 3.46Å; R338-S341 PolarHBondContact O-N 2.85Å; R338-S341 PolarHBondContact O-OG 3.29Å; R338-Y344 HydrophobicContact CB-CD2 4.2Å; R338-Y344 VanDerWaalsContact O-CB 3.22Å; R338-Y344 WeakPolarHBondContact O-CB 3.4Å; R338-R427 WeakPolarHBondContact CD-O 3.17Å; R338-E429 IonicContact CZ-OE1 3.52Å; R338-E429 IonicContact NE-OE1 2.75Å; R338-E429 PolarHBondContact NE-OE1 2.85Å; R338-E429 IonicContact NH1-OE1 2.67Å; R338-E429 PolarHBondContact NH1-OE1 3.35Å; R338-E429 IonicContact NH2-OE1 3.54Å; R338-E429 PolarHBondContact NH2-OE1 3.13Å
339E83.5Confident89.1Confident54 Ų5469.2 Ų69.225%0.25236%0.363SS..Hα-helixtrans-60.9-24.7177.3-73.1177.4172.300113.3R335 F336 S341 Y344 K345R335-E339 HydrophobicContact CG-CG 4.44Å; R335-E339 IonicContact CZ-OE1 3.37Å; R335-E339 VanDerWaalsContact CZ-OE1 3.25Å; R335-E339 IonicContact NE-OE1 2.7Å; R335-E339 PolarHBondContact NE-OE1 3.35Å; R335-E339 IonicContact NH2-OE1 3.7Å; R335-E339 PolarHBondContact NH2-OE1 3.39Å; R335-E339 PolarHBondContact O-N 3.41Å; F336-E339 PolarHBondContact O-N 3.42Å; E339-S341 VanDerWaalsContact C-N 3.25Å; E339-S341 PolarHBondContact O-N 2.99Å; E339-Y344 HydrophobicContact CB-CD1 4.4Å; E339-Y344 HydrophobicContact CB-CE1 4.43Å; E339-Y344 HydrophobicContact CG-CD1 3.97Å; E339-Y344 HydrophobicContact CG-CE1 3.54Å; E339-K345 WeakPolarHBondContact O-CE 3.33Å
340T83.8Confident88.8Confident89 Ų8968.3 Ų68.355%0.54636%0.356SS..THydrogen-bonded Turntrans-68.3-22.6172.373.30000113.7F336 S337 R338 K345F336-T340 PolarHBondContact O-N 2.85Å; S337-T340 PolarHBondContact O-N 3.06Å; S337-T340 PolarHBondContact O-OG1 3.36Å; R338-T340 PolarHBondContact O-N 2.98Å; T340-K345 WeakPolarHBondContact O-CE 3.24Å; T340-K345 PolarHBondContact O-NZ 2.92Å
341S87.8Confident88.6Confident39 Ų3963.9 Ų63.927%0.27334%0.338SS..SBendtrans-79142.1-173.675.10000113R338 E339 S343 Y344 K345R338-S341 WeakPolarHBondContact O-CB 3.46Å; R338-S341 PolarHBondContact O-N 2.85Å; R338-S341 PolarHBondContact O-OG 3.29Å; E339-S341 VanDerWaalsContact C-N 3.25Å; E339-S341 PolarHBondContact O-N 2.99Å; S341-S343 PolarHBondContact O-N 3.48Å; S341-Y344 PolarHBondContact O-N 2.99Å; S341-Y344 VanDerWaalsContact OG-CB 3.29Å; S341-Y344 WeakPolarHBondContact OG-CB 3.42Å; S341-Y344 PolarHBondContact OG-N 3.45Å; S341-K345 PolarHBondContact O-N 3.42Å; S341-K345 VanDerWaalsContact O-N 3.12Å
342E86.6Confident88.5Confident122 Ų12266.6 Ų66.657%0.5735%0.353SS*.Hα-helixtrans-70.2-33.1-173.7-152.859.7-157.200112.9Y344 K345 L346E342-Y344 VanDerWaalsContact C-N 3.35Å; E342-Y344 PolarHBondContact O-N 3.46Å; E342-K345 PolarHBondContact O-N 2.9Å; E342-K345 IonicContact OE2-NZ 3.79Å; E342-K345 PolarHBondContact OE2-NZ 3.2Å; E342-L346 VanDerWaalsContact O-CG 3.31Å; E342-L346 WeakPolarHBondContact O-CG 3.41Å; E342-L346 PolarHBondContact O-N 2.88Å
343S86.1Confident88.3Confident76 Ų7668.2 Ų68.253%0.53136%0.361SS..Hα-helixtrans-61.3-40.8171.9450000112.2S341 M347S341-S343 PolarHBondContact O-N 3.48Å; S343-M347 WeakPolarHBondContact O-CG 3.22Å; S343-M347 PolarHBondContact O-N 3.11Å; S343-M347 VanDerWaalsContact O-N 3.13Å
344Y88.9Confident88Confident5 Ų567.1 Ų67.12%0.0235%0.347CS..Hα-helixtrans-66.9-44.8175.7-169.8-80.8000111.5R338 E339 S341 E342 L346 M347 L348 R427R338-Y344 HydrophobicContact CB-CD2 4.2Å; R338-Y344 VanDerWaalsContact O-CB 3.22Å; R338-Y344 WeakPolarHBondContact O-CB 3.4Å; E339-Y344 HydrophobicContact CB-CD1 4.4Å; E339-Y344 HydrophobicContact CB-CE1 4.43Å; E339-Y344 HydrophobicContact CG-CD1 3.97Å; E339-Y344 HydrophobicContact CG-CE1 3.54Å; S341-Y344 PolarHBondContact O-N 2.99Å; S341-Y344 VanDerWaalsContact OG-CB 3.29Å; S341-Y344 WeakPolarHBondContact OG-CB 3.42Å; S341-Y344 PolarHBondContact OG-N 3.45Å; E342-Y344 VanDerWaalsContact C-N 3.35Å; E342-Y344 PolarHBondContact O-N 3.46Å; Y344-L346 VanDerWaalsContact C-N 3.32Å; Y344-L346 PolarHBondContact O-N 3.39Å; Y344-M347 CarbonylContact O-C 3.57Å; Y344-M347 PolarHBondContact O-N 3.36Å; Y344-M347 VanDerWaalsContact O-N 3.15Å; Y344-L348 HydrophobicContact CD1-CB 4.27Å; Y344-L348 HydrophobicContact CE1-CB 4.15Å; Y344-L348 HydrophobicContact CE1-CD1 4.26Å; Y344-L348 HydrophobicContact CE1-CD2 4.22Å; Y344-L348 HydrophobicContact CE1-CG 4.45Å; Y344-L348 WeakPolarHBondContact O-CB 3.29Å; Y344-L348 PolarHBondContact O-N 3.01Å; Y344-R427 VanDerWaalsContact CD2-O 3.29Å; Y344-R427 WeakPolarHBondContact CD2-O 3.46Å; Y344-R427 WeakPolarHBondContact CE2-O 3.35Å
345K89.6Confident87.9Confident87 Ų8765.5 Ų65.538%0.37834%0.341SS..Hα-helixtrans-59.8-41.3178.3-66.3172.9-146.8151.30112.4E339 T340 S341 E342 L348 K349E339-K345 WeakPolarHBondContact O-CE 3.33Å; T340-K345 WeakPolarHBondContact O-CE 3.24Å; T340-K345 PolarHBondContact O-NZ 2.92Å; S341-K345 PolarHBondContact O-N 3.42Å; S341-K345 VanDerWaalsContact O-N 3.12Å; E342-K345 PolarHBondContact O-N 2.9Å; E342-K345 IonicContact OE2-NZ 3.79Å; E342-K345 PolarHBondContact OE2-NZ 3.2Å; K345-L348 PolarHBondContact O-N 3.26Å; K345-K349 PolarHBondContact O-N 3.29Å
346L88.6Confident88Confident117 Ų11764.3 Ų64.361%0.61334%0.337SS*.Hα-helixtrans-62.3-43.7174.8-72.1168.1000111.7E342 Y344 A350E342-L346 VanDerWaalsContact O-CG 3.31Å; E342-L346 WeakPolarHBondContact O-CG 3.41Å; E342-L346 PolarHBondContact O-N 2.88Å; Y344-L346 VanDerWaalsContact C-N 3.32Å; Y344-L346 PolarHBondContact O-N 3.39Å; L346-A350 PolarHBondContact O-N 3.18Å
347M88.8Confident88.3Confident61 Ų6162.2 Ų62.230%0.333%0.328SS..Hα-helixtrans-67-40.9175.1-71.6-65163.300112.5S343 Y344 K349 A350 R351 E426S343-M347 WeakPolarHBondContact O-CG 3.22Å; S343-M347 PolarHBondContact O-N 3.11Å; S343-M347 VanDerWaalsContact O-N 3.13Å; Y344-M347 CarbonylContact O-C 3.57Å; Y344-M347 PolarHBondContact O-N 3.36Å; Y344-M347 VanDerWaalsContact O-N 3.15Å; M347-K349 VanDerWaalsContact C-N 3.35Å; M347-K349 PolarHBondContact O-N 2.93Å; M347-A350 PolarHBondContact O-N 3Å; M347-R351 WeakPolarHBondContact O-CG 3.47Å; M347-R351 PolarHBondContact O-N 3.43Å; M347-E426 HydrophobicContact SD-CG 4.48Å
348L90Very high88.5Confident59 Ų5963.2 Ų63.231%0.30934%0.335SS..Hα-helixtrans-62.5-41.4177.8-172.868.1000111.4Y344 K345 R351 N352Y344-L348 HydrophobicContact CD1-CB 4.27Å; Y344-L348 HydrophobicContact CE1-CB 4.15Å; Y344-L348 HydrophobicContact CE1-CD1 4.26Å; Y344-L348 HydrophobicContact CE1-CD2 4.22Å; Y344-L348 HydrophobicContact CE1-CG 4.45Å; Y344-L348 WeakPolarHBondContact O-CB 3.29Å; Y344-L348 PolarHBondContact O-N 3.01Å; K345-L348 PolarHBondContact O-N 3.26Å; L348-R351 PolarHBondContact O-N 3.15Å; L348-N352 PolarHBondContact O-N 3.39Å; L348-N352 PolarHBondContact O-OD1 3.44Å
349K90.1Very high88.7Confident137 Ų13761.9 Ų61.960%0.59633%0.33SS*.Hα-helixtrans-59.7-48.5173.2-167.4-170.5177.9-151.10111.2K345 M347 R351 N352 E353K345-K349 PolarHBondContact O-N 3.29Å; M347-K349 VanDerWaalsContact C-N 3.35Å; M347-K349 PolarHBondContact O-N 2.93Å; K349-R351 VanDerWaalsContact C-N 3.31Å; K349-R351 PolarHBondContact O-N 3.18Å; K349-N352 PolarHBondContact O-N 2.8Å; K349-N352 VanDerWaalsContact O-N 3.15Å; K349-E353 WeakPolarHBondContact CE-OE1 3.35Å; K349-E353 IonicContact NZ-OE1 2.6Å; K349-E353 PolarHBondContact NZ-OE1 3.44Å; K349-E353 PolarHBondContact O-N 3.2Å
350A86.6Confident89.3Confident42 Ų4261.5 Ų61.535%0.34733%0.328SS..Hα-helixtrans-64.2-31.9177.900000113.4L346 M347L346-A350 PolarHBondContact O-N 3.18Å; M347-A350 PolarHBondContact O-N 3Å
351R90.4Very high89.9Confident6 Ų662.4 Ų62.42%0.02333%0.326CS..Hα-helixtrans-66.3-37.8172.4-73.917167.1-163.6-2.4112M347 L348 K349 E353 L354 Q389 D393M347-R351 WeakPolarHBondContact O-CG 3.47Å; M347-R351 PolarHBondContact O-N 3.43Å; L348-R351 PolarHBondContact O-N 3.15Å; K349-R351 VanDerWaalsContact C-N 3.31Å; K349-R351 PolarHBondContact O-N 3.18Å; R351-E353 VanDerWaalsContact C-N 3.31Å; R351-L354 WeakPolarHBondContact O-CB 3.33Å; R351-L354 PolarHBondContact O-N 3.48Å; R351-Q389 VanDerWaalsContact CZ-OE1 3.23Å; R351-D393 IonicContact CZ-OD2 3.53Å; R351-D393 IonicContact NH1-OD2 2.66Å; R351-D393 IonicContact NH2-OD2 3.79Å; R351-D393 PolarHBondContact NH2-OD2 2.9Å
352N91.1Very high90.3Very high66 Ų6666.7 Ų66.735%0.35334%0.34SS..Hα-helixtrans-75.6-19.1-179.3-64.5-4.3000113.2L348 K349 L354 F357L348-N352 PolarHBondContact O-N 3.39Å; L348-N352 PolarHBondContact O-OD1 3.44Å; K349-N352 PolarHBondContact O-N 2.8Å; K349-N352 VanDerWaalsContact O-N 3.15Å; N352-L354 VanDerWaalsContact C-N 3.27Å; N352-F357 HydrophobicContact CB-CD1 4.14Å; N352-F357 HydrophobicContact CB-CD2 4.31Å; N352-F357 HydrophobicContact CB-CE1 4.07Å; N352-F357 HydrophobicContact CB-CE2 4.24Å; N352-F357 HydrophobicContact CB-CG 4.27Å; N352-F357 HydrophobicContact CB-CZ 4.12Å; N352-F357 WeakPolarHBondContact O-CD1 3.45Å; N352-F357 VanDerWaalsContact OD1-CE2 3.23Å; N352-F357 WeakPolarHBondContact OD1-CE2 3.42Å
353E87.9Confident90.7Very high117 Ų11760.9 Ų60.955%0.54731%0.312SS..THydrogen-bonded Turntrans-79.3-5.5173.8-70168.9-173.400112.7K349 R351 L535K349-E353 WeakPolarHBondContact CE-OE1 3.35Å; K349-E353 IonicContact NZ-OE1 2.6Å; K349-E353 PolarHBondContact NZ-OE1 3.44Å; K349-E353 PolarHBondContact O-N 3.2Å; R351-E353 VanDerWaalsContact C-N 3.31Å; E353-L535 WeakPolarHBondContact O-CD2 3.46Å
354L86.9Confident91.2Very high32 Ų3257.5 Ų57.517%0.16829%0.288CS..SBendtrans-81137.8177.8-60175.3000112.3R351 N352 V356 F357 Q386 L535R351-L354 WeakPolarHBondContact O-CB 3.33Å; R351-L354 PolarHBondContact O-N 3.48Å; N352-L354 VanDerWaalsContact C-N 3.27Å; L354-V356 VanDerWaalsContact C-N 3.25Å; L354-V356 HydrophobicContact CB-CG1 4.21Å; L354-V356 PolarHBondContact O-N 3.22Å; L354-V356 VanDerWaalsContact O-N 3.08Å; L354-F357 WeakPolarHBondContact O-CB 3.32Å; L354-F357 PolarHBondContact O-N 3.47Å; L354-Q386 HydrophobicContact CD1-CG 3.65Å; L354-L535 HydrophobicContact CD2-CD1 3.94Å; L354-L535 HydrophobicContact CD2-CD2 4.48Å
355P87.6Confident91.6Very high19 Ų1961.8 Ų61.812%0.12331%0.312CS..G310 helixtrans-54.8-33.7-176.7-28.132.9000115.1F357 S358 C381 I531 L535P355-F357 PolarHBondContact O-N 3.07Å; P355-S358 WeakPolarHBondContact O-CB 3.35Å; P355-S358 PolarHBondContact O-N 2.81Å; P355-S358 VanDerWaalsContact O-N 3.17Å; P355-S358 PolarHBondContact O-OG 2.79Å; P355-C381 HydrophobicContact CB-CB 4.09Å; P355-C381 HydrophobicContact CG-CB 4.39Å; P355-I531 HydrophobicContact CB-CG2 4.38Å; P355-L535 HydrophobicContact CG-CD2 4.37Å; P355-L535 HydrophobicContact CG-CG 4.02Å
356V92Very high91.9Very high0 Ų058.2 Ų58.20%030%0.298CS..G310 helixtrans-58.8-25.7175.968.10000113.6L354 S358 S359 K360 I363 C381 Q386 V387 Y390 I531L354-V356 VanDerWaalsContact C-N 3.25Å; L354-V356 HydrophobicContact CB-CG1 4.21Å; L354-V356 PolarHBondContact O-N 3.22Å; L354-V356 VanDerWaalsContact O-N 3.08Å; V356-S358 VanDerWaalsContact C-N 3.27Å; V356-S358 PolarHBondContact O-N 2.68Å; V356-S359 CarbonylContact O-C 3.57Å; V356-S359 PolarHBondContact O-N 3.14Å; V356-K360 PolarHBondContact O-N 3.32Å; V356-I363 HydrophobicContact CG2-CD1 3.67Å; V356-C381 VanDerWaalsContact CB-O 3.3Å; V356-C381 WeakPolarHBondContact CB-O 3.45Å; V356-C381 VanDerWaalsContact CG1-O 3.25Å; V356-C381 WeakPolarHBondContact CG1-O 3.34Å; V356-C381 PolarHBondContact N-O 3.07Å; V356-Q386 HydrophobicContact CG1-CB 3.74Å; V356-Q386 HydrophobicContact CG1-CG 3.72Å; V356-V387 HydrophobicContact CG2-CG2 4.36Å; V356-Y390 HydrophobicContact CG1-CE2 4.29Å; V356-Y390 HydrophobicContact CG2-CE2 4.22Å; V356-I531 HydrophobicContact CB-CD1 4.12Å; V356-I531 HydrophobicContact CB-CG2 4.31Å; V356-I531 HydrophobicContact CG2-CD1 3.6Å; V356-I531 HydrophobicContact CG2-CG1 4.22Å
357F92.6Very high92.3Very high80 Ų8052.7 Ų52.735%0.35127%0.269SS..G310 helixtrans-61.2-35.8177.5-175.2-106.4000112.2N352 L354 P355 S359 K360 Y390N352-F357 HydrophobicContact CB-CD1 4.14Å; N352-F357 HydrophobicContact CB-CD2 4.31Å; N352-F357 HydrophobicContact CB-CE1 4.07Å; N352-F357 HydrophobicContact CB-CE2 4.24Å; N352-F357 HydrophobicContact CB-CG 4.27Å; N352-F357 HydrophobicContact CB-CZ 4.12Å; N352-F357 WeakPolarHBondContact O-CD1 3.45Å; N352-F357 VanDerWaalsContact OD1-CE2 3.23Å; N352-F357 WeakPolarHBondContact OD1-CE2 3.42Å; L354-F357 WeakPolarHBondContact O-CB 3.32Å; L354-F357 PolarHBondContact O-N 3.47Å; P355-F357 PolarHBondContact O-N 3.07Å; F357-S359 PolarHBondContact O-N 3.38Å; F357-K360 HydrophobicContact CD2-CD 4.39Å; F357-K360 HydrophobicContact CE2-CD 4.21Å; F357-K360 WeakPolarHBondContact O-CB 3.44Å; F357-K360 PolarHBondContact O-N 3.42Å; F357-K360 VanDerWaalsContact O-N 3.1Å; F357-Y390 WeakPolarHBondContact CA-OH 3.47Å
358S91.6Very high92.5Very high87 Ų8753.3 Ų53.361%0.60827%0.274SS*.G310 helixtrans-57.2-23.5174.471.30000113.9P355 V356P355-S358 WeakPolarHBondContact O-CB 3.35Å; P355-S358 PolarHBondContact O-N 2.81Å; P355-S358 VanDerWaalsContact O-N 3.17Å; P355-S358 PolarHBondContact O-OG 2.79Å; V356-S358 VanDerWaalsContact C-N 3.27Å; V356-S358 PolarHBondContact O-N 2.68Å
359S93.5Very high92.7Very high4 Ų456.4 Ų56.43%0.02829%0.291CS..G310 helixtrans-114.39.2-176.3-60.10000112.5V356 F357 E361 K362 I363V356-S359 CarbonylContact O-C 3.57Å; V356-S359 PolarHBondContact O-N 3.14Å; F357-S359 PolarHBondContact O-N 3.38Å; S359-E361 PolarHBondContact O-N 3.21Å; S359-K362 PolarHBondContact O-N 2.9Å; S359-I363 VanDerWaalsContact O-CG1 3.3Å; S359-I363 WeakPolarHBondContact O-CG1 3.23Å; S359-I363 PolarHBondContact O-N 2.75Å
360K94.9Very high92.9Very high47 Ų4752.7 Ų52.720%0.20428%0.278CS..Hα-helixtrans-49.3-56-178.1172.4179.4167.8-69.40112.1V356 F357 I363 L364 Y390V356-K360 PolarHBondContact O-N 3.32Å; F357-K360 HydrophobicContact CD2-CD 4.39Å; F357-K360 HydrophobicContact CE2-CD 4.21Å; F357-K360 WeakPolarHBondContact O-CB 3.44Å; F357-K360 PolarHBondContact O-N 3.42Å; F357-K360 VanDerWaalsContact O-N 3.1Å; K360-I363 PolarHBondContact O-N 2.76Å; K360-L364 HydrophobicContact CG-CD1 4.03Å; K360-L364 WeakPolarHBondContact O-CG 3.41Å; K360-L364 PolarHBondContact O-N 3.11Å; K360-Y390 HydrophobicContact CB-CD2 4.03Å; K360-Y390 HydrophobicContact CB-CE2 3.86Å; K360-Y390 HydrophobicContact CD-CD1 4.21Å; K360-Y390 HydrophobicContact CD-CD2 4.45Å; K360-Y390 HydrophobicContact CD-CE1 4.31Å; K360-Y390 HydrophobicContact CD-CG 4.3Å; K360-Y390 HydrophobicContact CG-CD1 4.39Å; K360-Y390 HydrophobicContact CG-CD2 3.79Å; K360-Y390 HydrophobicContact CG-CE2 4.05Å; K360-Y390 HydrophobicContact CG-CG 3.99Å
361E96Very high93.3Very high107 Ų10752.5 Ų52.550%0.527%0.273SS..Hα-helixtrans-67.5-40-176.7-46.3-43143.200111.5S359 I363 L364 D365S359-E361 PolarHBondContact O-N 3.21Å; E361-I363 VanDerWaalsContact C-N 3.27Å; E361-I363 PolarHBondContact O-N 2.74Å; E361-L364 PolarHBondContact O-N 2.81Å; E361-L364 VanDerWaalsContact O-N 3.11Å; E361-D365 WeakPolarHBondContact O-CB 3.46Å; E361-D365 PolarHBondContact O-N 2.96Å
362K95.9Very high93.5Very high129 Ų12952.7 Ų52.756%0.56128%0.276SS*.Hα-helixtrans-56.6-39.9173.9-63.9-179.8179.81760112.6S359 A366 V529S359-K362 PolarHBondContact O-N 2.9Å; K362-A366 VanDerWaalsContact O-CB 3.32Å; K362-A366 WeakPolarHBondContact O-CB 3.09Å; K362-A366 PolarHBondContact O-N 2.96Å; K362-V529 HydrophobicContact CB-CG1 4.18Å
363I96.3Very high93.8Very high0 Ų049.6 Ų49.60%026%0.26CS..Hα-helixtrans-69.2-43.8177.5-67165.8000110.2V356 S359 K360 E361 A366 V367 V375 V387 V529 I531V356-I363 HydrophobicContact CG2-CD1 3.67Å; S359-I363 VanDerWaalsContact O-CG1 3.3Å; S359-I363 WeakPolarHBondContact O-CG1 3.23Å; S359-I363 PolarHBondContact O-N 2.75Å; K360-I363 PolarHBondContact O-N 2.76Å; E361-I363 VanDerWaalsContact C-N 3.27Å; E361-I363 PolarHBondContact O-N 2.74Å; I363-A366 PolarHBondContact O-N 2.89Å; I363-V367 HydrophobicContact CG2-CG2 4.47Å; I363-V367 WeakPolarHBondContact O-CB 3.28Å; I363-V367 VanDerWaalsContact O-CG2 3.27Å; I363-V367 WeakPolarHBondContact O-CG2 3.43Å; I363-V367 PolarHBondContact O-N 3.28Å; I363-V375 HydrophobicContact CD1-CG1 4.13Å; I363-V375 HydrophobicContact CG1-CG1 4.41Å; I363-V375 HydrophobicContact CG2-CG2 4.31Å; I363-V387 HydrophobicContact CD1-CG2 4.38Å; I363-V387 HydrophobicContact CG2-CG1 4.12Å; I363-V387 HydrophobicContact CG2-CG2 4.5Å; I363-V529 HydrophobicContact CG1-CB 4.45Å; I363-V529 HydrophobicContact CG1-CG1 3.83Å; I363-I531 HydrophobicContact CD1-CD1 4.24Å; I363-I531 HydrophobicContact CD1-CG1 4.26Å
364L97.1Very high94.2Very high5 Ų544 Ų443%0.02623%0.234CC..Hα-helixtrans-64-45.1177.4-69.3172.3000111.8K360 E361 A366 V367 N368 I391K360-L364 HydrophobicContact CG-CD1 4.03Å; K360-L364 WeakPolarHBondContact O-CG 3.41Å; K360-L364 PolarHBondContact O-N 3.11Å; E361-L364 PolarHBondContact O-N 2.81Å; E361-L364 VanDerWaalsContact O-N 3.11Å; L364-A366 PolarHBondContact O-N 2.92Å; L364-V367 PolarHBondContact O-N 2.99Å; L364-N368 VanDerWaalsContact O-CB 3.25Å; L364-N368 WeakPolarHBondContact O-CB 3.26Å; L364-N368 PolarHBondContact O-N 3.34Å; L364-N368 PolarHBondContact O-ND2 3.29Å; L364-N368 VanDerWaalsContact O-ND2 3.09Å; L364-I391 HydrophobicContact CD2-CG1 4.29Å
365D96.6Very high94.6Very high96 Ų9642.5 Ų42.551%0.51323%0.226SC..Hα-helixtrans-61.5-43.3175.9-72.3-28.4000111.5E361 N369E361-D365 WeakPolarHBondContact O-CB 3.46Å; E361-D365 PolarHBondContact O-N 2.96Å; D365-N369 WeakPolarHBondContact O-CB 3.5Å; D365-N369 PolarHBondContact O-N 3.4Å; D365-N369 PolarHBondContact O-ND2 3.47Å
366A96.1Very high94.8Very high11 Ų1142.4 Ų42.49%0.09123%0.225CC..Hα-helixtrans-61.9-48.9176.900000111.8K362 I363 L364 N369 N370 T373 A527 V529K362-A366 VanDerWaalsContact O-CB 3.32Å; K362-A366 WeakPolarHBondContact O-CB 3.09Å; K362-A366 PolarHBondContact O-N 2.96Å; I363-A366 PolarHBondContact O-N 2.89Å; L364-A366 PolarHBondContact O-N 2.92Å; A366-N369 PolarHBondContact O-N 3.09Å; A366-N370 WeakPolarHBondContact O-CB 3.22Å; A366-N370 PolarHBondContact O-N 3.02Å; A366-N370 PolarHBondContact O-ND2 2.77Å; A366-T373 HydrophobicContact CB-CG2 3.73Å; A366-T373 PolarHBondContact O-OG1 2.74Å; A366-A527 HydrophobicContact CB-CB 4.48Å; A366-V529 HydrophobicContact CB-CG2 3.54Å
367V96.1Very high94.6Very high1 Ų142.6 Ų42.61%0.00623%0.227CC..Hα-helixtrans-66.9-38.4-178.9173.30000112.3I363 L364 N370 T373 I391 R506 I508I363-V367 HydrophobicContact CG2-CG2 4.47Å; I363-V367 WeakPolarHBondContact O-CB 3.28Å; I363-V367 VanDerWaalsContact O-CG2 3.27Å; I363-V367 WeakPolarHBondContact O-CG2 3.43Å; I363-V367 PolarHBondContact O-N 3.28Å; L364-V367 PolarHBondContact O-N 2.99Å; V367-N370 VanDerWaalsContact O-O 3.06Å; V367-T373 HydrophobicContact CG2-CG2 4.09Å; V367-I391 HydrophobicContact CG1-CD1 4.2Å; V367-I391 HydrophobicContact CG1-CG1 4.49Å; V367-R506 HydrophobicContact CG1-CB 4.31Å; V367-R506 PolarHBondContact O-NH1 3.02Å; V367-R506 VanDerWaalsContact O-NH1 3.09Å; V367-I508 HydrophobicContact CG1-CD1 4.05Å; V367-I508 HydrophobicContact CG1-CG1 4.17Å; V367-I508 HydrophobicContact CG2-CD1 4.41Å; V367-I508 HydrophobicContact CG2-CG1 3.63Å
368N93.9Very high94Very high74 Ų7441.4 Ų41.440%0.39622%0.222SC..Hα-helixtrans-69.6-35.3177.9-74.3-31.9000112.5L364 R506L364-N368 VanDerWaalsContact O-CB 3.25Å; L364-N368 WeakPolarHBondContact O-CB 3.26Å; L364-N368 PolarHBondContact O-N 3.34Å; L364-N368 PolarHBondContact O-ND2 3.29Å; L364-N368 VanDerWaalsContact O-ND2 3.09Å; N368-R506 VanDerWaalsContact C-NH1 3.31Å; N368-R506 PolarHBondContact O-NH1 3.28Å
369N94.2Very high93.3Very high124 Ų12438 Ų3866%0.66320%0.198SC*.Hα-helixtrans-92.6-17-175.8-68-65000114.4D365 A366D365-N369 WeakPolarHBondContact O-CB 3.5Å; D365-N369 PolarHBondContact O-N 3.4Å; D365-N369 PolarHBondContact O-ND2 3.47Å; A366-N369 PolarHBondContact O-N 3.09Å
370N94.5Very high92.4Very high60 Ų6039.2 Ų39.232%0.32121%0.212SC..  trans-125.1143.7-176.2-55.9-91.7000111.7A366 V367 A372 R506 A527A366-N370 WeakPolarHBondContact O-CB 3.22Å; A366-N370 PolarHBondContact O-N 3.02Å; A366-N370 PolarHBondContact O-ND2 2.77Å; V367-N370 VanDerWaalsContact O-O 3.06Å; N370-A372 VanDerWaalsContact C-N 3.32Å; N370-A372 WeakPolarHBondContact CB-O 3.47Å; N370-R506 WeakPolarHBondContact O-CD 2.94Å; N370-R506 PolarHBondContact O-NH1 2.91Å; N370-R506 VanDerWaalsContact O-NH1 3.14Å; N370-A527 HydrophobicContact CB-CB 4.21Å; N370-A527 WeakPolarHBondContact ND2-CB 3.26Å
371S93.4Very high91.9Very high37 Ų3737.1 Ų37.126%0.25920%0.202SC..SBendtrans-73.8-24.9175.3-44.10000112.7P503 V507S371-P503 WeakPolarHBondContact CB-O 3.43Å; S371-P503 PolarHBondContact OG-O 3.08Å; S371-V507 PolarHBondContact O-N 3.21Å
372A95.9Very high91.4Very high10 Ų1032.5 Ų32.58%0.08318%0.184CC..EExtended strand (participates in β ladder)trans-126.8134.6171.300000111.1N370 L499 V507 F523 C526 A527N370-A372 VanDerWaalsContact C-N 3.32Å; N370-A372 WeakPolarHBondContact CB-O 3.47Å; A372-L499 HydrophobicContact CB-CD1 3.83Å; A372-V507 WeakPolarHBondContact CA-O 3.42Å; A372-F523 HydrophobicContact CB-CB 4.34Å; A372-F523 HydrophobicContact CB-CD1 4.19Å; A372-F523 HydrophobicContact CB-CG 4.47Å; A372-C526 HydrophobicContact CB-CB 3.62Å; A372-A527 PolarHBondContact O-N 3.39Å
373T96.7Very high91.2Very high1 Ų126.8 Ų26.81%0.00616%0.159CC..EExtended strand (participates in β ladder)trans-135.3135.4176.3-63.60000110.5A366 V367 V375 V507 I508 L509 A527 V529A366-T373 HydrophobicContact CB-CG2 3.73Å; A366-T373 PolarHBondContact O-OG1 2.74Å; V367-T373 HydrophobicContact CG2-CG2 4.09Å; T373-V375 HydrophobicContact CG2-CG2 4.08Å; T373-V507 PolarHBondContact N-O 3.15Å; T373-I508 CarbonylContact O-C 3.55Å; T373-I508 WeakPolarHBondContact O-CA 3.32Å; T373-L509 PolarHBondContact O-N 3.28Å; T373-A527 CarbonylContact C-O 3.55Å; T373-A527 WeakPolarHBondContact CA-O 3.33Å; T373-A527 WeakPolarHBondContact CG2-O 3.35Å; T373-V529 HydrophobicContact CG2-CG2 4.39Å
374L95.9Very high91Very high0 Ų027.8 Ų27.80%017%0.165CC..EExtended strand (participates in β ladder)trans-106.1114.2175.3177.263.7000110.1V376 L509 T516 F519 A527 T528 V529L374-V376 HydrophobicContact CD1-CG2 4.38Å; L374-V376 HydrophobicContact CD2-CG2 4.12Å; L374-V376 HydrophobicContact CG-CG2 3.82Å; L374-L509 CarbonylContact C-O 3.42Å; L374-L509 WeakPolarHBondContact CA-O 3.38Å; L374-L509 HydrophobicContact CD1-CB 3.74Å; L374-T516 HydrophobicContact CD2-CG2 4.07Å; L374-F519 HydrophobicContact CD2-CB 4.07Å; L374-A527 PolarHBondContact N-O 2.79Å; L374-T528 HydrophobicContact CD2-CG2 4.2Å; L374-T528 HydrophobicContact CG-CG2 4.37Å; L374-T528 CarbonylContact O-C 3.58Å; L374-T528 WeakPolarHBondContact O-CA 3.37Å; L374-V529 PolarHBondContact O-N 2.93Å
375V95.2Very high90.8Very high0 Ų028.4 Ų28.40%017%0.169CC..EExtended strand (participates in β ladder)trans-102.5108178.8-175.40000109.9I363 T373 K383 I508 L509 M510 S511 I531I363-V375 HydrophobicContact CD1-CG1 4.13Å; I363-V375 HydrophobicContact CG1-CG1 4.41Å; I363-V375 HydrophobicContact CG2-CG2 4.31Å; T373-V375 HydrophobicContact CG2-CG2 4.08Å; V375-K383 HydrophobicContact CG1-CD 4Å; V375-K383 HydrophobicContact CG1-CG 4.25Å; V375-K383 WeakPolarHBondContact O-CD 3.47Å; V375-I508 HydrophobicContact CG2-CG2 3.86Å; V375-L509 PolarHBondContact N-O 2.89Å; V375-M510 HydrophobicContact CB-CG 4.27Å; V375-M510 WeakPolarHBondContact O-CA 3.35Å; V375-S511 PolarHBondContact O-N 3.47Å; V375-I531 HydrophobicContact CG1-CD1 3.56Å; V375-I531 HydrophobicContact CG1-CG1 4.29Å
376V92.5Very high90.7Very high17 Ų1723.9 Ų23.910%0.10315%0.145CC..EExtended strand (participates in β ladder)trans-105.8132.5-177.5-170.70000109.3L374 T516 T528 V529 H530 I531L374-V376 HydrophobicContact CD1-CG2 4.38Å; L374-V376 HydrophobicContact CD2-CG2 4.12Å; L374-V376 HydrophobicContact CG-CG2 3.82Å; V376-T516 HydrophobicContact CG2-CG2 3.78Å; V376-T528 HydrophobicContact CG2-CG2 3.95Å; V376-V529 PolarHBondContact N-O 3.28Å; V376-H530 CarbonylContact O-C 3.58Å; V376-H530 WeakPolarHBondContact O-CA 3.42Å; V376-I531 PolarHBondContact O-N 2.58Å
377G87.6Confident90.7Very high5 Ų523.3 Ų23.35%0.05214%0.141CC..EExtended strand (participates in β ladder)trans-178.7146.3176.300000111.6K383 S511 A512G377-K383 PolarHBondContact O-NZ 3.02Å; G377-S511 PolarHBondContact N-O 3.27Å; G377-S511 VanDerWaalsContact N-O 3.12Å; G377-A512 WeakPolarHBondContact O-CA 3.23Å
378E79.6Confident90.8Very high54 Ų5423.4 Ų23.425%0.25214%0.141SC..  trans-61.7159.9-168.6-64.8-153.693.800114.1G380 C381 R534 Q756E378-G380 PolarHBondContact O-N 3.25Å; E378-C381 WeakPolarHBondContact O-CB 3.13Å; E378-C381 PolarHBondContact O-N 2.81Å; E378-C381 VanDerWaalsContact O-N 3.09Å; E378-C381 PolarHBondContact O-SG 2.65Å; E378-R534 IonicContact OE1-CZ 3.07Å; E378-R534 IonicContact OE1-NE 3.66Å; E378-R534 IonicContact OE1-NH2 2.78Å; E378-R534 PolarHBondContact OE1-NH2 3.2Å; E378-R534 VanDerWaalsContact OE2-CG 3.24Å; E378-R534 WeakPolarHBondContact OE2-CG 3.27Å; E378-R534 IonicContact OE2-CZ 3.27Å; E378-R534 IonicContact OE2-NE 2.99Å; E378-R534 PolarHBondContact OE2-NE 3.29Å; E378-R534 IonicContact OE2-NH2 2.94Å; E378-R534 PolarHBondContact OE2-NH2 3.22Å; E378-Q756 PolarHBondContact OE1-NE2 3.04Å
379T77.2Confident91Very high16 Ų1619.9 Ų19.910%0.09812%0.122CC..THydrogen-bonded Turntrans-56.8123178.552.20000111.2A512 Q757 G760T379-A512 HydrophobicContact CG2-CB 3.61Å; T379-Q757 HydrophobicContact CG2-CB 4.06Å; T379-Q757 HydrophobicContact CG2-CG 3.86Å; T379-G760 VanDerWaalsContact OG1-CA 3.3Å; T379-G760 WeakPolarHBondContact OG1-CA 3.49Å; T379-G760 PolarHBondContact OG1-O 2.95Å
380G74.3Confident91.1Very high30 Ų3014.2 Ų14.231%0.3099%0.092SC..THydrogen-bonded Turntrans95.9-5.8-178.100000115.5E378 G382E378-G380 PolarHBondContact O-N 3.25Å; G380-G382 PolarHBondContact O-N 3.22Å
381C84.4Confident91.3Very high2 Ų211.6 Ų11.61%0.0148%0.077CC..SBendtrans-67-16.7176.967.40000114.6P355 V356 E378 I531P355-C381 HydrophobicContact CB-CB 4.09Å; P355-C381 HydrophobicContact CG-CB 4.39Å; V356-C381 VanDerWaalsContact CB-O 3.3Å; V356-C381 WeakPolarHBondContact CB-O 3.45Å; V356-C381 VanDerWaalsContact CG1-O 3.25Å; V356-C381 WeakPolarHBondContact CG1-O 3.34Å; V356-C381 PolarHBondContact N-O 3.07Å; E378-C381 WeakPolarHBondContact O-CB 3.13Å; E378-C381 PolarHBondContact O-N 2.81Å; E378-C381 VanDerWaalsContact O-N 3.09Å; E378-C381 PolarHBondContact O-SG 2.65Å; C381-I531 HydrophobicContact CB-CG2 4.07Å
382G86.7Confident91.5Very high11 Ų119.8 Ų9.811%0.1137%0.065CC..SBendtrans119.2-8.6171.200000116.8G380 T384 T385 Q386G380-G382 PolarHBondContact O-N 3.22Å; G382-T384 PolarHBondContact O-N 2.8Å; G382-T385 PolarHBondContact O-N 3.04Å; G382-T385 VanDerWaalsContact O-N 3.15Å; G382-T385 PolarHBondContact O-OG1 3.41Å; G382-Q386 WeakPolarHBondContact O-CB 3.1Å; G382-Q386 WeakPolarHBondContact O-CG 3.34Å; G382-Q386 PolarHBondContact O-N 3.02Å
383K91.4Very high91.5Very high8 Ų89.9 Ų9.94%0.0356%0.064CC..Hα-helixtrans-36.1-65.2-175.2-65.3-168.4-48.5-69.80114.7V375 G377 T385 Q386 V387 M510 S511 I531V375-K383 HydrophobicContact CG1-CD 4Å; V375-K383 HydrophobicContact CG1-CG 4.25Å; V375-K383 WeakPolarHBondContact O-CD 3.47Å; G377-K383 PolarHBondContact O-NZ 3.02Å; K383-T385 VanDerWaalsContact C-N 3.29Å; K383-T385 PolarHBondContact O-N 2.95Å; K383-Q386 PolarHBondContact O-N 2.82Å; K383-V387 WeakPolarHBondContact O-CB 3.21Å; K383-V387 WeakPolarHBondContact O-CG2 3.4Å; K383-V387 PolarHBondContact O-N 2.95Å; K383-M510 HydrophobicContact CB-CE 4.26Å; K383-M510 HydrophobicContact CB-SD 3.95Å; K383-M510 HydrophobicContact CD-CB 4.2Å; K383-S511 WeakPolarHBondContact CE-O 3.32Å; K383-S511 PolarHBondContact NZ-O 2.85Å; K383-S511 VanDerWaalsContact NZ-O 3.09Å; K383-I531 HydrophobicContact CD-CD1 4.12Å; K383-I531 HydrophobicContact CG-CD1 3.59Å
384T91.8Very high91.4Very high22 Ų2211 Ų1114%0.1357%0.072CC..Hα-helixtrans-54.2-35.1-174-53.40000114.6G382 V419 D479G382-T384 PolarHBondContact O-N 2.8Å; T384-V419 HydrophobicContact CG2-CB 4.37Å; T384-V419 HydrophobicContact CG2-CG1 3.7Å; T384-V419 HydrophobicContact CG2-CG2 3.72Å; T384-D479 WeakPolarHBondContact CB-OD2 3.42Å; T384-D479 WeakPolarHBondContact CG2-OD2 3.29Å; T384-D479 PolarHBondContact OG1-OD2 3.4Å
385T92.2Very high91.4Very high18 Ų1812.8 Ų12.811%0.118%0.081CC..Hα-helixtrans-96.3-29.5178.955.30000112.9G382 K383 Q389 V419 R422 V423G382-T385 PolarHBondContact O-N 3.04Å; G382-T385 VanDerWaalsContact O-N 3.15Å; G382-T385 PolarHBondContact O-OG1 3.41Å; K383-T385 VanDerWaalsContact C-N 3.29Å; K383-T385 PolarHBondContact O-N 2.95Å; T385-Q389 WeakPolarHBondContact O-CG 3.36Å; T385-Q389 PolarHBondContact O-NE2 3.21Å; T385-V419 HydrophobicContact CG2-CG1 4.29Å; T385-R422 HydrophobicContact CG2-CG 4.08Å; T385-V423 HydrophobicContact CG2-CG2 3.95Å
386Q95Very high91.4Very high0 Ų013 Ų130%08%0.082CC..Hα-helixtrans-97.7-37.2-170.6-59.9-43.9-59.600115.2L354 V356 G382 K383 C388 Q389 Y390 E426L354-Q386 HydrophobicContact CD1-CG 3.65Å; V356-Q386 HydrophobicContact CG1-CB 3.74Å; V356-Q386 HydrophobicContact CG1-CG 3.72Å; G382-Q386 WeakPolarHBondContact O-CB 3.1Å; G382-Q386 WeakPolarHBondContact O-CG 3.34Å; G382-Q386 PolarHBondContact O-N 3.02Å; K383-Q386 PolarHBondContact O-N 2.82Å; Q386-C388 PolarHBondContact O-N 3.3Å; Q386-Q389 CarbonylContact O-C 3.58Å; Q386-Q389 WeakPolarHBondContact O-CA 3.48Å; Q386-Q389 WeakPolarHBondContact O-CB 3.4Å; Q386-Q389 PolarHBondContact O-N 3.3Å; Q386-Y390 HydrophobicContact CB-CD2 4.42Å; Q386-Y390 HydrophobicContact CB-CE1 4Å; Q386-Y390 HydrophobicContact CB-CE2 3.9Å; Q386-Y390 VanDerWaalsContact O-CG 3.32Å; Q386-Y390 PolarHBondContact O-N 3.08Å; Q386-E426 PolarHBondContact NE2-OE2 3.41Å
387V97.1Very high91.4Very high0 Ų016.3 Ų16.30%010%0.099CC..Hα-helixtrans-64.4-44-170.1173.40000111.8V356 I363 K383 Q389 Y390 I391 I477 I508 M510V356-V387 HydrophobicContact CG2-CG2 4.36Å; I363-V387 HydrophobicContact CD1-CG2 4.38Å; I363-V387 HydrophobicContact CG2-CG1 4.12Å; I363-V387 HydrophobicContact CG2-CG2 4.5Å; K383-V387 WeakPolarHBondContact O-CB 3.21Å; K383-V387 WeakPolarHBondContact O-CG2 3.4Å; K383-V387 PolarHBondContact O-N 2.95Å; V387-Q389 VanDerWaalsContact C-N 3.3Å; V387-Q389 PolarHBondContact O-N 3.37Å; V387-Y390 PolarHBondContact O-N 3Å; V387-I391 HydrophobicContact CG1-CD1 4.12Å; V387-I391 WeakPolarHBondContact O-CG1 3.38Å; V387-I391 PolarHBondContact O-N 3.14Å; V387-I391 VanDerWaalsContact O-N 3.14Å; V387-I477 HydrophobicContact CG1-CD1 4.26Å; V387-I508 HydrophobicContact CG1-CG2 4.35Å; V387-M510 HydrophobicContact CB-SD 3.76Å; V387-M510 HydrophobicContact CG1-SD 3.99Å; V387-M510 HydrophobicContact CG2-SD 3.85Å
388C97.4Very high91.7Very high2 Ų221.3 Ų21.31%0.01413%0.125CC..Hα-helixtrans-62.2-36.5173.257.10000112.6Q386 L392 I406 V408 I452 I477Q386-C388 PolarHBondContact O-N 3.3Å; C388-L392 PolarHBondContact O-N 3.44Å; C388-I406 HydrophobicContact CB-CD1 4.44Å; C388-I406 HydrophobicContact CB-CG2 4.34Å; C388-I406 VanDerWaalsContact O-CD1 3.23Å; C388-I406 WeakPolarHBondContact O-CD1 3.46Å; C388-V408 HydrophobicContact CB-CG2 3.9Å; C388-I452 HydrophobicContact CB-CD1 3.98Å; C388-I452 HydrophobicContact CB-CG2 3.97Å; C388-I477 HydrophobicContact CB-CD1 3.84Å
389Q97.5Very high92.3Very high0 Ų020.9 Ų20.90%013%0.134CC..Hα-helixtrans-69.3-44175.6-69-170.481.600111.5R351 T385 Q386 V387 I391 L392 D393 V423 E426 I452R351-Q389 VanDerWaalsContact CZ-OE1 3.23Å; T385-Q389 WeakPolarHBondContact O-CG 3.36Å; T385-Q389 PolarHBondContact O-NE2 3.21Å; Q386-Q389 CarbonylContact O-C 3.58Å; Q386-Q389 WeakPolarHBondContact O-CA 3.48Å; Q386-Q389 WeakPolarHBondContact O-CB 3.4Å; Q386-Q389 PolarHBondContact O-N 3.3Å; V387-Q389 VanDerWaalsContact C-N 3.3Å; V387-Q389 PolarHBondContact O-N 3.37Å; Q389-I391 VanDerWaalsContact C-N 3.32Å; Q389-I391 PolarHBondContact O-N 3.43Å; Q389-L392 PolarHBondContact O-N 2.67Å; Q389-D393 WeakPolarHBondContact O-CB 3.38Å; Q389-D393 PolarHBondContact O-N 2.53Å; Q389-V423 HydrophobicContact CG-CG1 3.68Å; Q389-E426 PolarHBondContact NE2-OE2 2.97Å; Q389-I452 HydrophobicContact CG-CD1 4.39Å
390Y97.6Very high93.1Very high6 Ų625.8 Ų25.82%0.02415%0.154CC..Hα-helixtrans-60.9-40.7179.8-64.3-16.7000112V356 F357 K360 Q386 V387 S394V356-Y390 HydrophobicContact CG1-CE2 4.29Å; V356-Y390 HydrophobicContact CG2-CE2 4.22Å; F357-Y390 WeakPolarHBondContact CA-OH 3.47Å; K360-Y390 HydrophobicContact CB-CD2 4.03Å; K360-Y390 HydrophobicContact CB-CE2 3.86Å; K360-Y390 HydrophobicContact CD-CD1 4.21Å; K360-Y390 HydrophobicContact CD-CD2 4.45Å; K360-Y390 HydrophobicContact CD-CE1 4.31Å; K360-Y390 HydrophobicContact CD-CG 4.3Å; K360-Y390 HydrophobicContact CG-CD1 4.39Å; K360-Y390 HydrophobicContact CG-CD2 3.79Å; K360-Y390 HydrophobicContact CG-CE2 4.05Å; K360-Y390 HydrophobicContact CG-CG 3.99Å; Q386-Y390 HydrophobicContact CB-CD2 4.42Å; Q386-Y390 HydrophobicContact CB-CE1 4Å; Q386-Y390 HydrophobicContact CB-CE2 3.9Å; Q386-Y390 VanDerWaalsContact O-CG 3.32Å; Q386-Y390 PolarHBondContact O-N 3.08Å; V387-Y390 PolarHBondContact O-N 3Å; Y390-S394 WeakPolarHBondContact O-CB 3.49Å; Y390-S394 PolarHBondContact O-N 2.77Å
391I97.8Very high94Very high4 Ų424.3 Ų24.32%0.02114%0.139CC..Hα-helixtrans-62.7-50.9175.9-66.4165.5000110.5L364 V367 V387 Q389 S394 M395 I406 H475 I477 I508L364-I391 HydrophobicContact CD2-CG1 4.29Å; V367-I391 HydrophobicContact CG1-CD1 4.2Å; V367-I391 HydrophobicContact CG1-CG1 4.49Å; V387-I391 HydrophobicContact CG1-CD1 4.12Å; V387-I391 WeakPolarHBondContact O-CG1 3.38Å; V387-I391 PolarHBondContact O-N 3.14Å; V387-I391 VanDerWaalsContact O-N 3.14Å; Q389-I391 VanDerWaalsContact C-N 3.32Å; Q389-I391 PolarHBondContact O-N 3.43Å; I391-S394 PolarHBondContact O-N 2.81Å; I391-M395 WeakPolarHBondContact O-CG 3.33Å; I391-M395 PolarHBondContact O-N 3.15Å; I391-I406 HydrophobicContact CB-CD1 3.89Å; I391-I406 HydrophobicContact CG2-CD1 3.73Å; I391-H475 WeakPolarHBondContact CG2-NE2 3.49Å; I391-I477 HydrophobicContact CD1-CD1 4.2Å; I391-I508 HydrophobicContact CD1-CD1 4.08Å; I391-I508 HydrophobicContact CD1-CG1 4.4Å
392L96.9Very high94.4Very high0 Ų024.2 Ų24.20%014%0.139CC..Hα-helixtrans-65.1-43.2179.2175.559.5000112.5C388 Q389 M395 L396 C404 I406 G450 I452C388-L392 PolarHBondContact O-N 3.44Å; Q389-L392 PolarHBondContact O-N 2.67Å; L392-M395 PolarHBondContact O-N 3.38Å; L392-L396 HydrophobicContact CD1-CD1 4.1Å; L392-L396 HydrophobicContact CD1-CG 4.21Å; L392-L396 HydrophobicContact CG-CD1 3.95Å; L392-L396 WeakPolarHBondContact O-CB 3.33Å; L392-L396 VanDerWaalsContact O-CG 3.27Å; L392-L396 WeakPolarHBondContact O-CG 3.48Å; L392-L396 PolarHBondContact O-N 3.1Å; L392-C404 HydrophobicContact CD1-CB 3.93Å; L392-I406 HydrophobicContact CB-CD1 4.14Å; L392-G450 VanDerWaalsContact CD1-C 3.48Å; L392-G450 WeakPolarHBondContact CD1-O 3.41Å; L392-G450 WeakPolarHBondContact CD2-O 3.11Å; L392-I452 HydrophobicContact CB-CD1 4.49Å; L392-I452 HydrophobicContact CD2-CD1 3.95Å; L392-I452 HydrophobicContact CD2-CG1 3.89Å
393D95.9Very high94.7Very high12 Ų1226 Ų266%0.06415%0.149CC..Hα-helixtrans-63.6-44.9179.3-68.6-21.5000109.8R335 R351 Q389 M395 L396 D397 R427R335-D393 VanDerWaalsContact NH1-CA 3.33Å; R335-D393 PolarHBondContact NH1-O 2.88Å; R335-D393 IonicContact NH1-OD1 3.77Å; R351-D393 IonicContact CZ-OD2 3.53Å; R351-D393 IonicContact NH1-OD2 2.66Å; R351-D393 IonicContact NH2-OD2 3.79Å; R351-D393 PolarHBondContact NH2-OD2 2.9Å; Q389-D393 WeakPolarHBondContact O-CB 3.38Å; Q389-D393 PolarHBondContact O-N 2.53Å; D393-M395 PolarHBondContact O-N 3.22Å; D393-L396 WeakPolarHBondContact O-CB 3.15Å; D393-L396 PolarHBondContact O-N 2.98Å; D393-D397 VanDerWaalsContact O-CG 3.3Å; D393-D397 PolarHBondContact O-N 2.82Å; D393-R427 IonicContact OD1-CZ 2.67Å; D393-R427 VanDerWaalsContact OD1-CZ 3.22Å; D393-R427 IonicContact OD1-NH1 2.6Å; D393-R427 PolarHBondContact OD1-NH1 2.71Å; D393-R427 IonicContact OD1-NH2 2.81Å; D393-R427 PolarHBondContact OD1-NH2 2.73Å; D393-R427 IonicContact OD2-NH1 3.34Å; D393-R427 PolarHBondContact OD2-NH1 2.75Å
394S96.2Very high95Very high23 Ų2325.6 Ų25.616%0.16115%0.147CC..Hα-helixtrans-60.8-41.9173.5-175.60000112.9Y390 I391 D397 N398Y390-S394 WeakPolarHBondContact O-CB 3.49Å; Y390-S394 PolarHBondContact O-N 2.77Å; I391-S394 PolarHBondContact O-N 2.81Å; S394-D397 PolarHBondContact O-N 3Å; S394-N398 WeakPolarHBondContact O-CB 3.08Å; S394-N398 PolarHBondContact O-N 2.99Å; S394-N398 PolarHBondContact O-ND2 2.67Å
395M95.6Very high95.2Very high39 Ų3924.6 Ų24.619%0.19214%0.141CC..Hα-helixtrans-66.8-35.1175.7-75.8-70.5-169.900112.5I391 L392 D393 G399 K400 G401 C404I391-M395 WeakPolarHBondContact O-CG 3.33Å; I391-M395 PolarHBondContact O-N 3.15Å; L392-M395 PolarHBondContact O-N 3.38Å; D393-M395 PolarHBondContact O-N 3.22Å; M395-G399 PolarHBondContact O-N 3.1Å; M395-K400 CarbonylContact O-C 3.48Å; M395-K400 VanDerWaalsContact O-C 3.26Å; M395-K400 WeakPolarHBondContact O-CA 3.3Å; M395-K400 PolarHBondContact O-N 2.74Å; M395-K400 HydrophobicContact SD-CB 4.02Å; M395-K400 HydrophobicContact SD-CD 4.5Å; M395-G401 PolarHBondContact O-N 2.97Å; M395-G401 VanDerWaalsContact O-N 3.11Å; M395-C404 HydrophobicContact CB-CB 3.57Å; M395-C404 HydrophobicContact CG-CB 3.76Å
396L94.6Very high95.4Very high5 Ų523.8 Ų23.83%0.02614%0.136CC..Hα-helixtrans-65.2-48.3172.9-73.1163000111.4L331 F332 L392 D393 N398 G399L331-L396 HydrophobicContact CB-CD2 3.54Å; F332-L396 WeakPolarHBondContact CD2-O 3.37Å; L392-L396 HydrophobicContact CD1-CD1 4.1Å; L392-L396 HydrophobicContact CD1-CG 4.21Å; L392-L396 HydrophobicContact CG-CD1 3.95Å; L392-L396 WeakPolarHBondContact O-CB 3.33Å; L392-L396 VanDerWaalsContact O-CG 3.27Å; L392-L396 WeakPolarHBondContact O-CG 3.48Å; L392-L396 PolarHBondContact O-N 3.1Å; D393-L396 WeakPolarHBondContact O-CB 3.15Å; D393-L396 PolarHBondContact O-N 2.98Å; L396-N398 VanDerWaalsContact C-N 3.27Å; L396-N398 PolarHBondContact O-N 3.4Å; L396-G399 PolarHBondContact O-N 3.38Å
397D93.6Very high95.4Very high85 Ų8523.8 Ų23.846%0.45514%0.136SC..Hα-helixtrans-63.9-32-179.6-67.6-39.2000112.3R335 D393 S394 G399R335-D397 IonicContact CZ-OD1 3.59Å; R335-D397 IonicContact CZ-OD2 2.78Å; R335-D397 IonicContact NH1-OD1 3.49Å; R335-D397 PolarHBondContact NH1-OD1 2.89Å; R335-D397 IonicContact NH1-OD2 2.71Å; R335-D397 PolarHBondContact NH1-OD2 2.81Å; R335-D397 IonicContact NH2-OD1 3.75Å; R335-D397 PolarHBondContact NH2-OD1 2.74Å; R335-D397 IonicContact NH2-OD2 3.97Å; R335-D397 PolarHBondContact NH2-OD2 2.68Å; R335-D397 VanDerWaalsContact NH2-OD2 3.11Å; D393-D397 VanDerWaalsContact O-CG 3.3Å; D393-D397 PolarHBondContact O-N 2.82Å; S394-D397 PolarHBondContact O-N 3Å; D397-G399 VanDerWaalsContact C-N 3.25Å; D397-G399 PolarHBondContact O-N 2.81Å
398N93.6Very high95.4Very high111 Ų11123.8 Ų23.859%0.59414%0.136SC*.THydrogen-bonded Turntrans-82.18.9173.2-75.5-74.4000114.2S394 L396 K400S394-N398 WeakPolarHBondContact O-CB 3.08Å; S394-N398 PolarHBondContact O-N 2.99Å; S394-N398 PolarHBondContact O-ND2 2.67Å; L396-N398 VanDerWaalsContact C-N 3.27Å; L396-N398 PolarHBondContact O-N 3.4Å; N398-K400 PolarHBondContact O-N 3.37Å
399G91.8Very high95.2Very high44 Ų4423.8 Ų23.845%0.45414%0.136SC..THydrogen-bonded Turntrans6917.1178.700000114.9S328 M395 L396 D397S328-G399 WeakPolarHBondContact CB-O 3.42Å; S328-G399 PolarHBondContact OG-O 2.76Å; M395-G399 PolarHBondContact O-N 3.1Å; L396-G399 PolarHBondContact O-N 3.38Å; D397-G399 VanDerWaalsContact C-N 3.25Å; D397-G399 PolarHBondContact O-N 2.81Å
400K93.7Very high94.8Very high119 Ų11923.9 Ų23.952%0.51714%0.136SC..  trans-114.420.4-176.8-67.5179.8-179.7179.40113.1M395 N398 A402 C403M395-K400 CarbonylContact O-C 3.48Å; M395-K400 VanDerWaalsContact O-C 3.26Å; M395-K400 WeakPolarHBondContact O-CA 3.3Å; M395-K400 PolarHBondContact O-N 2.74Å; M395-K400 HydrophobicContact SD-CB 4.02Å; M395-K400 HydrophobicContact SD-CD 4.5Å; N398-K400 PolarHBondContact O-N 3.37Å; K400-A402 PolarHBondContact O-N 3.39Å; K400-A402 VanDerWaalsContact O-N 3.13Å; K400-C403 HydrophobicContact CB-CB 4.43Å; K400-C403 WeakPolarHBondContact O-CA 3.24Å; K400-C403 WeakPolarHBondContact O-CB 3.4Å; K400-C403 PolarHBondContact O-N 3.03Å
401G92.5Very high94.1Very high0 Ų025 Ų250%014%0.144CC..G310 helixtrans-52.4-36.4-175.200000114.7S328 M395 C403 C404 G450S328-G401 PolarHBondContact OG-N 2.91Å; M395-G401 PolarHBondContact O-N 2.97Å; M395-G401 VanDerWaalsContact O-N 3.11Å; G401-C403 PolarHBondContact O-N 3.37Å; G401-C404 PolarHBondContact O-N 3.12Å; G401-C404 VanDerWaalsContact O-N 3.15Å; G401-G450 VanDerWaalsContact O-CA 3.24Å; G401-G450 WeakPolarHBondContact O-CA 3.31Å
402A93.6Very high93.3Very high0 Ų027 Ų270%015%0.151CC..G310 helixtrans-65.8-27.1176.200000113.5L324 I327 S328 K400 C404L324-A402 HydrophobicContact CB-CB 4.06Å; L324-A402 HydrophobicContact CD2-CB 3.92Å; L324-A402 WeakPolarHBondContact O-CB 3.25Å; I327-A402 HydrophobicContact CB-CB 3.82Å; I327-A402 HydrophobicContact CG2-CB 3.41Å; I327-A402 VanDerWaalsContact CG2-CB 3.41Å; S328-A402 WeakPolarHBondContact OG-CB 3.45Å; S328-A402 PolarHBondContact OG-N 2.95Å; K400-A402 PolarHBondContact O-N 3.39Å; K400-A402 VanDerWaalsContact O-N 3.13Å; A402-C404 PolarHBondContact O-N 3.13Å
403C94Very high92.5Very high48 Ų4830.9 Ų30.932%0.32417%0.166SC..G310 helixtrans-82.56.8177.1-54.90000112.7K400 G401 S474K400-C403 HydrophobicContact CB-CB 4.43Å; K400-C403 WeakPolarHBondContact O-CA 3.24Å; K400-C403 WeakPolarHBondContact O-CB 3.4Å; K400-C403 PolarHBondContact O-N 3.03Å; G401-C403 PolarHBondContact O-N 3.37Å; C403-S474 WeakPolarHBondContact O-CB 3.49Å
404C95.9Very high91.7Very high0 Ų031 Ų310%017%0.166CC..  trans-118.4103.5-179.5-170.30000112.2L392 M395 G401 A402 G450 S451L392-C404 HydrophobicContact CD1-CB 3.93Å; M395-C404 HydrophobicContact CB-CB 3.57Å; M395-C404 HydrophobicContact CG-CB 3.76Å; G401-C404 PolarHBondContact O-N 3.12Å; G401-C404 VanDerWaalsContact O-N 3.15Å; A402-C404 PolarHBondContact O-N 3.13Å; C404-G450 CarbonylContact O-C 3.5Å; C404-G450 WeakPolarHBondContact O-CA 3.21Å; C404-G450 PolarHBondContact O-N 2.72Å; C404-S451 PolarHBondContact O-N 2.79Å; C404-S451 VanDerWaalsContact O-N 3.16Å
405N96.3Very high91.2Very high1 Ų129.9 Ų29.91%0.00516%0.159CC..EExtended strand (participates in β ladder)trans-127.3124.2170.4-73.9-31.8000109.1P308 W309 P448 Y449 G450 S451 G472 S474 H475P308-N405 HydrophobicContact CG-CB 4.49Å; W309-N405 HydrophobicContact CH2-CB 3.82Å; W309-N405 HydrophobicContact CZ2-CB 3.81Å; N405-P448 PolarHBondContact ND2-O 2.83Å; N405-P448 PolarHBondContact OD1-O 2.98Å; N405-Y449 VanDerWaalsContact OD1-CA 3.27Å; N405-Y449 WeakPolarHBondContact OD1-CA 3.45Å; N405-G450 PolarHBondContact OD1-N 2.85Å; N405-G450 VanDerWaalsContact OD1-N 3.12Å; N405-S451 WeakPolarHBondContact CA-O 3.33Å; N405-G472 VanDerWaalsContact CB-O 3.29Å; N405-G472 WeakPolarHBondContact CB-O 3.37Å; N405-G472 PolarHBondContact ND2-O 3.38Å; N405-S474 PolarHBondContact N-OG 2.9Å; N405-S474 PolarHBondContact O-N 2.79Å; N405-S474 PolarHBondContact O-OG 2.82Å; N405-H475 PolarHBondContact O-N 3.09Å; N405-H475 VanDerWaalsContact O-N 3.17Å
406I97.1Very high90.9Very high0 Ų028 Ų280%015%0.15CC..EExtended strand (participates in β ladder)trans-120.6126-169.3-49-175.7000110.2C388 I391 L392 V408 S451 I452 M453 H475 I477C388-I406 HydrophobicContact CB-CD1 4.44Å; C388-I406 HydrophobicContact CB-CG2 4.34Å; C388-I406 VanDerWaalsContact O-CD1 3.23Å; C388-I406 WeakPolarHBondContact O-CD1 3.46Å; I391-I406 HydrophobicContact CB-CD1 3.89Å; I391-I406 HydrophobicContact CG2-CD1 3.73Å; L392-I406 HydrophobicContact CB-CD1 4.14Å; I406-V408 HydrophobicContact CG2-CG2 3.96Å; I406-S451 PolarHBondContact N-O 3.25Å; I406-I452 HydrophobicContact CB-CG1 4.4Å; I406-I452 HydrophobicContact CB-CG2 4.48Å; I406-I452 HydrophobicContact CD1-CG1 4.37Å; I406-I452 CarbonylContact O-C 3.5Å; I406-I452 WeakPolarHBondContact O-CA 3.27Å; I406-M453 PolarHBondContact O-N 3.16Å; I406-H475 WeakPolarHBondContact CA-O 3.49Å; I406-H475 HydrophobicContact CB-CB 4.48Å; I406-H475 HydrophobicContact CG1-CB 4.19Å; I406-H475 HydrophobicContact CG2-CB 4.17Å; I406-I477 HydrophobicContact CG2-CD1 3.89Å; I406-I477 HydrophobicContact CG2-CG1 3.88Å
407I95.4Very high90.6Very high0 Ų028 Ų280%015%0.15CC..EExtended strand (participates in β ladder)trans-94.2136.1163.9-66.1-177.7000108.5W309 T409 M453 L462 L470 V473 H475 I476 I477W309-I407 HydrophobicContact CH2-CG1 4.41Å; W309-I407 HydrophobicContact CZ3-CD1 4.31Å; W309-I407 HydrophobicContact CZ3-CG1 3.74Å; I407-T409 HydrophobicContact CG2-CG2 4.33Å; I407-M453 HydrophobicContact CD1-CE 4.25Å; I407-M453 HydrophobicContact CG1-CE 4.22Å; I407-L462 HydrophobicContact CD1-CD1 4Å; I407-L470 HydrophobicContact CD1-CD2 4.45Å; I407-V473 HydrophobicContact CD1-CG1 3.95Å; I407-V473 HydrophobicContact CD1-CG2 3.86Å; I407-V473 HydrophobicContact CG1-CG1 3.91Å; I407-V473 HydrophobicContact CG1-CG2 4.36Å; I407-H475 PolarHBondContact N-O 3.5Å; I407-I476 HydrophobicContact CB-CG1 4.47Å; I407-I477 PolarHBondContact O-N 3.23Å
408V95.9Very high90.2Very high1 Ų124.7 Ų24.71%0.00613%0.132CC..EExtended strand (participates in β ladder)trans-124.6110.6172.4-172.20000109.3C388 I406 I452 M453 F454 C455 I477C388-V408 HydrophobicContact CB-CG2 3.9Å; I406-V408 HydrophobicContact CG2-CG2 3.96Å; V408-I452 HydrophobicContact CG2-CG2 3.78Å; V408-M453 PolarHBondContact N-O 2.86Å; V408-F454 HydrophobicContact CB-CD1 3.65Å; V408-F454 HydrophobicContact CB-CE1 3.7Å; V408-F454 HydrophobicContact CB-CG 4.31Å; V408-F454 HydrophobicContact CB-CZ 4.41Å; V408-F454 HydrophobicContact CG1-CD1 3.76Å; V408-F454 HydrophobicContact CG1-CE1 3.58Å; V408-F454 HydrophobicContact CG2-CD1 4.37Å; V408-F454 HydrophobicContact CG2-CE1 4.03Å; V408-F454 HydrophobicContact CG2-CZ 4.28Å; V408-F454 CarbonylContact O-C 3.59Å; V408-F454 VanDerWaalsContact O-CA 3.29Å; V408-F454 WeakPolarHBondContact O-CA 3.33Å; V408-C455 PolarHBondContact O-N 2.76Å; V408-I477 CarbonylContact C-O 3.59Å; V408-I477 WeakPolarHBondContact CA-O 3.22Å; V408-I477 HydrophobicContact CB-CB 4.43Å; V408-I477 HydrophobicContact CG1-CB 4.19Å; V408-I477 HydrophobicContact CG1-CG2 4.34Å; V408-I477 HydrophobicContact CG2-CB 4.16Å; V408-I477 HydrophobicContact CG2-CD1 4.18Å; V408-I477 HydrophobicContact CG2-CG1 4.31Å
409T93.9Very high90.1Very high2 Ų219.6 Ų19.61%0.01211%0.105CC..EExtended strand (participates in β ladder)trans-82.7141.4176.568.70000111.1I407 C455 P457 L462 I477 V478 D479 L491I407-T409 HydrophobicContact CG2-CG2 4.33Å; T409-C455 CarbonylContact C-O 3.59Å; T409-C455 VanDerWaalsContact CA-O 3.31Å; T409-C455 WeakPolarHBondContact CA-O 3.49Å; T409-P457 HydrophobicContact CG2-CB 4.36Å; T409-L462 HydrophobicContact CG2-CD2 3.66Å; T409-I477 PolarHBondContact N-O 3.02Å; T409-V478 WeakPolarHBondContact OG1-CA 3.48Å; T409-V478 WeakPolarHBondContact OG1-CG1 3.44Å; T409-D479 WeakPolarHBondContact O-CB 3.47Å; T409-D479 PolarHBondContact O-N 3.31Å; T409-L491 HydrophobicContact CG2-CD2 3.81Å
410Q90Very high90.2Very high1 Ų117.5 Ų17.51%0.0058%0.084CC..  trans-130.2138.8176.3-66.9-73.7-51.400108.7R412 A416 F454 C455 P457 D479 S716Q410-R412 PolarHBondContact O-N 2.86Å; Q410-A416 HydrophobicContact CB-CB 4.12Å; Q410-A416 HydrophobicContact CG-CB 4.35Å; Q410-F454 HydrophobicContact CG-CD1 4.23Å; Q410-C455 PolarHBondContact N-O 3.46Å; Q410-P457 WeakPolarHBondContact O-CD 3.46Å; Q410-D479 VanDerWaalsContact NE2-CB 3.26Å; Q410-D479 PolarHBondContact NE2-OD2 3.42Å; Q410-S716 PolarHBondContact OE1-OG 2.8Å
411P82.7Confident90Very high29 Ų2915 Ų1519%0.1887%0.074CC..SBendtrans-68.4-20.4-176.624.1-32.3000113.6E480 E483P411-E480 HydrophobicContact CG-CB 4.1Å; P411-E483 WeakPolarHBondContact CG-OE1 3.21Å
412R80.6Confident89.8Confident46 Ų4620 Ų2017%0.1749%0.092CC..SBendtrans-123.4140.9-177.6-69.9168.4-171.7669.7112.4Q410 I414 S415 A416 E483 S715Q410-R412 PolarHBondContact O-N 2.86Å; R412-I414 VanDerWaalsContact C-N 3.3Å; R412-I414 HydrophobicContact CB-CG2 4.2Å; R412-I414 PolarHBondContact O-N 2.67Å; R412-S415 WeakPolarHBondContact O-CB 3.35Å; R412-S415 PolarHBondContact O-N 2.87Å; R412-S415 VanDerWaalsContact O-N 3.15Å; R412-A416 PolarHBondContact O-N 3.32Å; R412-A416 VanDerWaalsContact O-N 3.13Å; R412-E483 IonicContact CZ-OE1 2.7Å; R412-E483 IonicContact CZ-OE2 2.97Å; R412-E483 IonicContact NH1-OE1 3.51Å; R412-E483 PolarHBondContact NH1-OE1 2.85Å; R412-E483 IonicContact NH1-OE2 3.78Å; R412-E483 PolarHBondContact NH1-OE2 3.21Å; R412-E483 IonicContact NH2-OE1 3.58Å; R412-E483 IonicContact NH2-OE2 2.68Å; R412-E483 PolarHBondContact NH2-OE2 2.71Å; R412-S715 PolarHBondContact NH1-OG 2.88Å
413R80.2Confident89.9Confident83 Ų8320 Ų2031%0.3139%0.092SC..Hα-helixtrans-53-45.1173.5-65.5-174.260.8-147.3-4112.6A416 I417 V439 R440 T456R413-A416 PolarHBondContact O-N 2.87Å; R413-I417 WeakPolarHBondContact O-CD1 3.41Å; R413-I417 VanDerWaalsContact O-CG1 3.29Å; R413-I417 WeakPolarHBondContact O-CG1 3.15Å; R413-I417 PolarHBondContact O-N 3.46Å; R413-V439 HydrophobicContact CB-CB 4.33Å; R413-V439 HydrophobicContact CB-CG1 4.47Å; R413-V439 HydrophobicContact CB-CG2 4.25Å; R413-V439 HydrophobicContact CG-CB 4.06Å; R413-V439 HydrophobicContact CG-CG2 4.25Å; R413-R440 PolarHBondContact NE-O 2.74Å; R413-R440 PolarHBondContact NH2-O 3.38Å; R413-T456 HydrophobicContact CG-CG2 4.16Å
414I79.6Confident89.9Confident13 Ų1317.8 Ų17.87%0.0678%0.078CC..Hα-helixtrans-63.2-43.5179.8-174.4160.6000111.4R412 A416 I417 T418 Q673 F674 F677 I712R412-I414 VanDerWaalsContact C-N 3.3Å; R412-I414 HydrophobicContact CB-CG2 4.2Å; R412-I414 PolarHBondContact O-N 2.67Å; I414-A416 PolarHBondContact O-N 3.45Å; I414-I417 PolarHBondContact O-N 3.02Å; I414-T418 HydrophobicContact CG1-CG2 3.89Å; I414-T418 WeakPolarHBondContact O-CG2 3.29Å; I414-T418 PolarHBondContact O-N 2.83Å; I414-T418 PolarHBondContact O-OG1 2.92Å; I414-Q673 HydrophobicContact CD1-CB 3.77Å; I414-F674 HydrophobicContact CD1-CD2 4.15Å; I414-F674 HydrophobicContact CD1-CE2 3.91Å; I414-F674 HydrophobicContact CG1-CE2 3.97Å; I414-F677 HydrophobicContact CD1-CE2 4.24Å; I414-I712 HydrophobicContact CG2-CD1 4.22Å; I414-I712 HydrophobicContact CG2-CG1 4.27Å
415S85.4Confident89.6Confident0 Ų021.4 Ų21.40%010%0.1CC..Hα-helixtrans-58.9-47.8177.4-56.40000112.3R412 I417 T418 V419 S716R412-S415 WeakPolarHBondContact O-CB 3.35Å; R412-S415 PolarHBondContact O-N 2.87Å; R412-S415 VanDerWaalsContact O-N 3.15Å; S415-I417 VanDerWaalsContact C-N 3.28Å; S415-I417 PolarHBondContact O-N 3.07Å; S415-T418 PolarHBondContact O-N 2.86Å; S415-V419 WeakPolarHBondContact O-CB 3.5Å; S415-V419 WeakPolarHBondContact O-CG2 3.27Å; S415-V419 PolarHBondContact O-N 2.8Å; S415-S716 WeakPolarHBondContact CB-OG 3.47Å; S415-S716 WeakPolarHBondContact OG-CB 3.01Å; S415-S716 PolarHBondContact OG-OG 2.86Å
416A89.1Confident89.4Confident0 Ų021.5 Ų21.50%010%0.101CC..Hα-helixtrans-57.8-40.717700000112.7Q410 R412 R413 I414 A420 V439 F454Q410-A416 HydrophobicContact CB-CB 4.12Å; Q410-A416 HydrophobicContact CG-CB 4.35Å; R412-A416 PolarHBondContact O-N 3.32Å; R412-A416 VanDerWaalsContact O-N 3.13Å; R413-A416 PolarHBondContact O-N 2.87Å; I414-A416 PolarHBondContact O-N 3.45Å; A416-A420 VanDerWaalsContact O-CB 3.23Å; A416-A420 WeakPolarHBondContact O-CB 3.41Å; A416-A420 PolarHBondContact O-N 2.87Å; A416-V439 HydrophobicContact CB-CG1 3.6Å; A416-F454 HydrophobicContact CB-CB 4.25Å; A416-F454 WeakPolarHBondContact O-CB 3.48Å
417I87.4Confident89.2Confident6 Ų621.7 Ų21.73%0.03110%0.101CC..Hα-helixtrans-70.6-55.6179.4-62.8164.7000110.7R413 I414 S415 V419 A420 E421 Y437 V439 F674R413-I417 WeakPolarHBondContact O-CD1 3.41Å; R413-I417 VanDerWaalsContact O-CG1 3.29Å; R413-I417 WeakPolarHBondContact O-CG1 3.15Å; R413-I417 PolarHBondContact O-N 3.46Å; I414-I417 PolarHBondContact O-N 3.02Å; S415-I417 VanDerWaalsContact C-N 3.28Å; S415-I417 PolarHBondContact O-N 3.07Å; I417-V419 PolarHBondContact O-N 2.57Å; I417-A420 PolarHBondContact O-N 3.37Å; I417-E421 HydrophobicContact CG2-CG 4.49Å; I417-E421 WeakPolarHBondContact CG2-OE1 3.36Å; I417-E421 WeakPolarHBondContact O-CG 3.18Å; I417-E421 PolarHBondContact O-N 2.79Å; I417-Y437 HydrophobicContact CB-CE1 4.36Å; I417-Y437 HydrophobicContact CD1-CE2 4.34Å; I417-Y437 HydrophobicContact CG1-CD1 4.4Å; I417-Y437 HydrophobicContact CG1-CD2 3.87Å; I417-Y437 HydrophobicContact CG1-CE1 4.22Å; I417-Y437 HydrophobicContact CG1-CE2 3.71Å; I417-Y437 HydrophobicContact CG1-CG 4.22Å; I417-Y437 HydrophobicContact CG2-CD1 4.46Å; I417-Y437 HydrophobicContact CG2-CE1 3.88Å; I417-V439 HydrophobicContact CD1-CG2 4.19Å; I417-V439 HydrophobicContact CG1-CG2 4.47Å; I417-F674 HydrophobicContact CG2-CZ 3.89Å
418T85.6Confident89Confident14 Ų1423.7 Ų23.79%0.08612%0.122CC..Hα-helixtrans-69.5-32-17357.40000112.7I414 S415 R422 F674 F677I414-T418 HydrophobicContact CG1-CG2 3.89Å; I414-T418 WeakPolarHBondContact O-CG2 3.29Å; I414-T418 PolarHBondContact O-N 2.83Å; I414-T418 PolarHBondContact O-OG1 2.92Å; S415-T418 PolarHBondContact O-N 2.86Å; T418-R422 WeakPolarHBondContact O-CB 3.22Å; T418-R422 PolarHBondContact O-N 2.81Å; T418-F674 HydrophobicContact CG2-CE1 3.89Å; T418-F674 HydrophobicContact CG2-CE2 4.03Å; T418-F674 HydrophobicContact CG2-CZ 3.52Å; T418-F677 HydrophobicContact CG2-CD2 4.46Å; T418-F677 HydrophobicContact CG2-CE2 3.76Å; T418-F677 HydrophobicContact CG2-CZ 4.03Å
419V90.7Very high88.8Confident5 Ų524.4 Ų24.43%0.0313%0.125CC..Hα-helixtrans-70.1-42.3172.8177.90000110.5T384 T385 S415 I417 E421 R422 V423 F454T384-V419 HydrophobicContact CG2-CB 4.37Å; T384-V419 HydrophobicContact CG2-CG1 3.7Å; T384-V419 HydrophobicContact CG2-CG2 3.72Å; T385-V419 HydrophobicContact CG2-CG1 4.29Å; S415-V419 WeakPolarHBondContact O-CB 3.5Å; S415-V419 WeakPolarHBondContact O-CG2 3.27Å; S415-V419 PolarHBondContact O-N 2.8Å; I417-V419 PolarHBondContact O-N 2.57Å; V419-E421 PolarHBondContact O-N 2.82Å; V419-R422 PolarHBondContact O-N 2.93Å; V419-V423 HydrophobicContact CG1-CG2 4.12Å; V419-V423 WeakPolarHBondContact O-CB 3.48Å; V419-V423 VanDerWaalsContact O-CG2 3.3Å; V419-V423 WeakPolarHBondContact O-CG2 3.48Å; V419-V423 PolarHBondContact O-N 3.28Å; V419-F454 HydrophobicContact CB-CD1 4.3Å; V419-F454 HydrophobicContact CB-CE1 4.19Å; V419-F454 HydrophobicContact CG1-CD1 3.88Å; V419-F454 HydrophobicContact CG1-CE1 3.29Å; V419-F454 HydrophobicContact CG1-CE2 4.39Å; V419-F454 HydrophobicContact CG1-CZ 3.6Å
420A93.9Very high88.7Confident0 Ų032.1 Ų32.10%016%0.159CC..Hα-helixtrans-61.9-44.2175.400000112.2A416 I417 R422 V423 A424 L431 V435 Y437 F454A416-A420 VanDerWaalsContact O-CB 3.23Å; A416-A420 WeakPolarHBondContact O-CB 3.41Å; A416-A420 PolarHBondContact O-N 2.87Å; I417-A420 PolarHBondContact O-N 3.37Å; A420-R422 PolarHBondContact O-N 2.98Å; A420-V423 PolarHBondContact O-N 2.9Å; A420-A424 WeakPolarHBondContact O-CB 3.14Å; A420-A424 PolarHBondContact O-N 3.12Å; A420-L431 HydrophobicContact CB-CD2 3.82Å; A420-V435 HydrophobicContact CB-CG1 4.17Å; A420-V435 WeakPolarHBondContact O-CG1 3.31Å; A420-Y437 HydrophobicContact CB-CD1 3.97Å; A420-Y437 HydrophobicContact CB-CG 4.49Å; A420-F454 HydrophobicContact CB-CB 4.19Å; A420-F454 HydrophobicContact CB-CD2 3.65Å; A420-F454 HydrophobicContact CB-CE2 4.42Å; A420-F454 HydrophobicContact CB-CG 4.15Å
421E90.8Very high88.8Confident65 Ų6533.9 Ų33.930%0.30417%0.168SC..Hα-helixtrans-60.5-43.5174.4-71.8171.5-18000111.8I417 V419 T425 L431 F674I417-E421 HydrophobicContact CG2-CG 4.49Å; I417-E421 WeakPolarHBondContact CG2-OE1 3.36Å; I417-E421 WeakPolarHBondContact O-CG 3.18Å; I417-E421 PolarHBondContact O-N 2.79Å; V419-E421 PolarHBondContact O-N 2.82Å; E421-T425 WeakPolarHBondContact O-CB 3.46Å; E421-T425 PolarHBondContact O-N 2.88Å; E421-T425 PolarHBondContact O-OG1 3.23Å; E421-L431 HydrophobicContact CG-CD1 3.63Å; E421-L431 HydrophobicContact CG-CG 4.3Å; E421-F674 WeakPolarHBondContact OE2-CE1 3.23Å
422R88.5Confident89.3Confident105 Ų10533.8 Ų33.840%0.39617%0.173SC..Hα-helixtrans-64.5-45.4177175.160.9-168-1666.7112.2T385 T418 V419 A420 T425 E426T385-R422 HydrophobicContact CG2-CG 4.08Å; T418-R422 WeakPolarHBondContact O-CB 3.22Å; T418-R422 PolarHBondContact O-N 2.81Å; V419-R422 PolarHBondContact O-N 2.93Å; A420-R422 PolarHBondContact O-N 2.98Å; R422-T425 WeakPolarHBondContact O-CB 3.45Å; R422-T425 PolarHBondContact O-N 2.75Å; R422-E426 IonicContact CZ-OE1 3.54Å; R422-E426 IonicContact NE-OE1 2.68Å; R422-E426 PolarHBondContact NE-OE1 3.37Å; R422-E426 IonicContact NH2-OE1 2.84Å; R422-E426 PolarHBondContact NH2-OE1 3.39Å; R422-E426 PolarHBondContact O-N 3.25Å
423V94.4Very high89.8Confident0 Ų035.5 Ų35.50%018%0.183CC..Hα-helixtrans-70.9-37.4-179174.70000110.9T385 Q389 V419 A420 T425 E426 R427 V435 F454T385-V423 HydrophobicContact CG2-CG2 3.95Å; Q389-V423 HydrophobicContact CG-CG1 3.68Å; V419-V423 HydrophobicContact CG1-CG2 4.12Å; V419-V423 WeakPolarHBondContact O-CB 3.48Å; V419-V423 VanDerWaalsContact O-CG2 3.3Å; V419-V423 WeakPolarHBondContact O-CG2 3.48Å; V419-V423 PolarHBondContact O-N 3.28Å; A420-V423 PolarHBondContact O-N 2.9Å; V423-T425 VanDerWaalsContact C-N 3.33Å; V423-T425 PolarHBondContact O-N 3.07Å; V423-E426 PolarHBondContact O-N 3.4Å; V423-R427 VanDerWaalsContact O-CG 3.29Å; V423-R427 WeakPolarHBondContact O-CG 3.22Å; V423-R427 PolarHBondContact O-N 3.27Å; V423-R427 VanDerWaalsContact O-N 3.17Å; V423-V435 HydrophobicContact CB-CG1 4.21Å; V423-V435 HydrophobicContact CG1-CG1 4.21Å; V423-V435 HydrophobicContact CG1-CG2 3.92Å; V423-F454 HydrophobicContact CB-CE2 4.34Å; V423-F454 HydrophobicContact CG2-CE2 4.41Å; V423-F454 HydrophobicContact CG2-CZ 4.1Å
424A94.1Very high90.6Very high2 Ų231.9 Ų31.92%0.01717%0.17CC..Hα-helixtrans-58.1-46.4169.100000111.4A420 E426 R427 G428 E429 L431 V435A420-A424 WeakPolarHBondContact O-CB 3.14Å; A420-A424 PolarHBondContact O-N 3.12Å; A424-E426 PolarHBondContact O-N 2.92Å; A424-R427 PolarHBondContact O-N 3.5Å; A424-R427 VanDerWaalsContact O-N 3.16Å; A424-G428 PolarHBondContact O-N 3.34Å; A424-E429 CarbonylContact C-O 3.55Å; A424-E429 PolarHBondContact O-N 2.76Å; A424-L431 HydrophobicContact CB-CD2 4.29Å; A424-L431 HydrophobicContact CB-CG 4.47Å; A424-V435 HydrophobicContact CB-CB 4.07Å; A424-V435 HydrophobicContact CB-CG1 4.43Å; A424-V435 HydrophobicContact CB-CG2 4.46Å
425T90.9Very high91.4Very high77 Ų7731.2 Ų31.247%0.47217%0.167SC..Hα-helixtrans-62-43.2178.3-55.70000112.3E421 R422 V423 R427 G428E421-T425 WeakPolarHBondContact O-CB 3.46Å; E421-T425 PolarHBondContact O-N 2.88Å; E421-T425 PolarHBondContact O-OG1 3.23Å; R422-T425 WeakPolarHBondContact O-CB 3.45Å; R422-T425 PolarHBondContact O-N 2.75Å; V423-T425 VanDerWaalsContact C-N 3.33Å; V423-T425 PolarHBondContact O-N 3.07Å; T425-R427 PolarHBondContact O-N 3.19Å; T425-G428 PolarHBondContact O-N 2.88Å; T425-G428 VanDerWaalsContact O-N 3.08Å
426E91.8Very high91.9Very high3 Ų331.2 Ų31.21%0.01417%0.167CC..Hα-helixtrans-63.3-25.3176.4-80.6-177.1-167.500113.6M347 Q386 Q389 R422 V423 A424M347-E426 HydrophobicContact SD-CG 4.48Å; Q386-E426 PolarHBondContact NE2-OE2 3.41Å; Q389-E426 PolarHBondContact NE2-OE2 2.97Å; R422-E426 IonicContact CZ-OE1 3.54Å; R422-E426 IonicContact NE-OE1 2.68Å; R422-E426 PolarHBondContact NE-OE1 3.37Å; R422-E426 IonicContact NH2-OE1 2.84Å; R422-E426 PolarHBondContact NH2-OE1 3.39Å; R422-E426 PolarHBondContact O-N 3.25Å; V423-E426 PolarHBondContact O-N 3.4Å; A424-E426 PolarHBondContact O-N 2.92Å
427R93.1Very high92.1Very high3 Ų331.9 Ų31.91%0.01117%0.169CC..THydrogen-bonded Turntrans-88.5-2.8175.8-63.11798167.9-3.3113.6R338 Y344 D393 V423 A424 T425 E429 S434R338-R427 WeakPolarHBondContact CD-O 3.17Å; Y344-R427 VanDerWaalsContact CD2-O 3.29Å; Y344-R427 WeakPolarHBondContact CD2-O 3.46Å; Y344-R427 WeakPolarHBondContact CE2-O 3.35Å; D393-R427 IonicContact OD1-CZ 2.67Å; D393-R427 VanDerWaalsContact OD1-CZ 3.22Å; D393-R427 IonicContact OD1-NH1 2.6Å; D393-R427 PolarHBondContact OD1-NH1 2.71Å; D393-R427 IonicContact OD1-NH2 2.81Å; D393-R427 PolarHBondContact OD1-NH2 2.73Å; D393-R427 IonicContact OD2-NH1 3.34Å; D393-R427 PolarHBondContact OD2-NH1 2.75Å; V423-R427 VanDerWaalsContact O-CG 3.29Å; V423-R427 WeakPolarHBondContact O-CG 3.22Å; V423-R427 PolarHBondContact O-N 3.27Å; V423-R427 VanDerWaalsContact O-N 3.17Å; A424-R427 PolarHBondContact O-N 3.5Å; A424-R427 VanDerWaalsContact O-N 3.16Å; T425-R427 PolarHBondContact O-N 3.19Å; R427-E429 VanDerWaalsContact C-N 3.27Å; R427-E429 HydrophobicContact CB-CB 4.34Å; R427-E429 HydrophobicContact CB-CG 3.87Å; R427-E429 IonicContact NE-OE1 3.54Å; R427-E429 PolarHBondContact NE-OE1 3.42Å; R427-S434 PolarHBondContact NE-OG 2.9Å; R427-S434 VanDerWaalsContact NE-OG 3.09Å
428G90.7Very high92.1Very high43 Ų4331.7 Ų31.744%0.44317%0.168SC..THydrogen-bonded Turntrans69.725.2-172.500000113.2A424 T425A424-G428 PolarHBondContact O-N 3.34Å; T425-G428 PolarHBondContact O-N 2.88Å; T425-G428 VanDerWaalsContact O-N 3.08Å
429E92.1Very high91.9Very high15 Ų1531.1 Ų31.17%0.0717%0.165CC..  trans-111.3167.5-173.3-65.4-178.9-15000112R338 A424 R427 Q433 S434R338-E429 IonicContact CZ-OE1 3.52Å; R338-E429 IonicContact NE-OE1 2.75Å; R338-E429 PolarHBondContact NE-OE1 2.85Å; R338-E429 IonicContact NH1-OE1 2.67Å; R338-E429 PolarHBondContact NH1-OE1 3.35Å; R338-E429 IonicContact NH2-OE1 3.54Å; R338-E429 PolarHBondContact NH2-OE1 3.13Å; A424-E429 CarbonylContact C-O 3.55Å; A424-E429 PolarHBondContact O-N 2.76Å; R427-E429 VanDerWaalsContact C-N 3.27Å; R427-E429 HydrophobicContact CB-CB 4.34Å; R427-E429 HydrophobicContact CB-CG 3.87Å; R427-E429 IonicContact NE-OE1 3.54Å; R427-E429 PolarHBondContact NE-OE1 3.42Å; E429-Q433 HydrophobicContact CB-CB 4.25Å; E429-Q433 HydrophobicContact CG-CB 4.44Å; E429-Q433 VanDerWaalsContact OE2-CB 3.24Å; E429-Q433 WeakPolarHBondContact OE2-CB 3.49Å; E429-S434 PolarHBondContact OE1-OG 3.26Å; E429-S434 WeakPolarHBondContact OE2-CA 3.32Å; E429-S434 VanDerWaalsContact OE2-CB 3.29Å; E429-S434 WeakPolarHBondContact OE2-CB 3.36Å; E429-S434 PolarHBondContact OE2-N 2.68Å; E429-S434 PolarHBondContact OE2-OG 2.9Å
430K92Very high91Very high164 Ų16433.3 Ų33.371%0.71317%0.173SC*.  trans-97.5154160.9-67.3-176.7-179.8179.50109.3Q433K430-Q433 WeakPolarHBondContact O-CB 3.39Å; K430-Q433 PolarHBondContact O-N 2.81Å
431L92Very high89.9Confident38 Ų3834.2 Ų34.220%0.19918%0.177CC..THydrogen-bonded Turntrans-50.5142.9166.3-78.4176.4000110.9A420 E421 A424 Y437 H444A420-L431 HydrophobicContact CB-CD2 3.82Å; E421-L431 HydrophobicContact CG-CD1 3.63Å; E421-L431 HydrophobicContact CG-CG 4.3Å; A424-L431 HydrophobicContact CB-CD2 4.29Å; A424-L431 HydrophobicContact CB-CG 4.47Å; L431-Y437 HydrophobicContact CD1-CD1 4.09Å; L431-Y437 HydrophobicContact CD1-CE1 3.63Å; L431-Y437 HydrophobicContact CD2-CD1 4.26Å; L431-H444 VanDerWaalsContact C-CE1 3.5Å; L431-H444 PolarHBondContact O-CE1 2.93Å; L431-H444 VanDerWaalsContact O-CE1 3.23Å
432G91.4Very high89.2Confident28 Ų2833 Ų3329%0.28917%0.173SC..THydrogen-bonded Turntrans89-1.9-175.200000115.1V435 F445G432-V435 PolarHBondContact N-O 2.77Å; G432-F445 VanDerWaalsContact CA-O 3.31Å; G432-F445 WeakPolarHBondContact CA-O 3.34Å
433Q93.1Very high88.9Confident82 Ų8230.7 Ų30.738%0.38317%0.172SC..SBendtrans-86.3-122.5165.7-63.5-176.1-2.300109.3E429 K430 V435 P446 S447E429-Q433 HydrophobicContact CB-CB 4.25Å; E429-Q433 HydrophobicContact CG-CB 4.44Å; E429-Q433 VanDerWaalsContact OE2-CB 3.24Å; E429-Q433 WeakPolarHBondContact OE2-CB 3.49Å; K430-Q433 WeakPolarHBondContact O-CB 3.39Å; K430-Q433 PolarHBondContact O-N 2.81Å; Q433-V435 PolarHBondContact O-N 3.46Å; Q433-P446 CarbonylContact O-C 3.59Å; Q433-P446 WeakPolarHBondContact O-CA 3.14Å; Q433-P446 WeakPolarHBondContact O-CB 3.21Å; Q433-S447 PolarHBondContact O-N 3.37Å; Q433-S447 PolarHBondContact O-OG 3.17Å
434S95.2Very high88.6Confident6 Ų634.9 Ų34.94%0.04219%0.192CC..SBendtrans-73.1-7176.571.70000113.6R427 E429 G450 S451 I452R427-S434 PolarHBondContact NE-OG 2.9Å; R427-S434 VanDerWaalsContact NE-OG 3.09Å; E429-S434 PolarHBondContact OE1-OG 3.26Å; E429-S434 WeakPolarHBondContact OE2-CA 3.32Å; E429-S434 VanDerWaalsContact OE2-CB 3.29Å; E429-S434 WeakPolarHBondContact OE2-CB 3.36Å; E429-S434 PolarHBondContact OE2-N 2.68Å; E429-S434 PolarHBondContact OE2-OG 2.9Å; S434-G450 WeakPolarHBondContact CB-O 3.33Å; S434-S451 CarbonylContact O-C 3.5Å; S434-S451 WeakPolarHBondContact O-CA 3.45Å; S434-S451 VanDerWaalsContact O-CB 3.23Å; S434-S451 WeakPolarHBondContact O-CB 3.26Å; S434-I452 PolarHBondContact O-N 2.89Å
435V97.6Very high88.5Confident0 Ų038.4 Ų38.40%021%0.207CC..EExtended strand (participates in β ladder)trans-130.1132.8-176.1-168.90000111.1A420 V423 A424 G432 Q433 I452 F454A420-V435 HydrophobicContact CB-CG1 4.17Å; A420-V435 WeakPolarHBondContact O-CG1 3.31Å; V423-V435 HydrophobicContact CB-CG1 4.21Å; V423-V435 HydrophobicContact CG1-CG1 4.21Å; V423-V435 HydrophobicContact CG1-CG2 3.92Å; A424-V435 HydrophobicContact CB-CB 4.07Å; A424-V435 HydrophobicContact CB-CG1 4.43Å; A424-V435 HydrophobicContact CB-CG2 4.46Å; G432-V435 PolarHBondContact N-O 2.77Å; Q433-V435 PolarHBondContact O-N 3.46Å; V435-I452 WeakPolarHBondContact CA-O 3.37Å; V435-F454 HydrophobicContact CG1-CD2 4.23Å; V435-F454 HydrophobicContact CG1-CE2 4Å
436G95.4Very high88.7Confident0 Ų035.1 Ų35.10%019%0.187CC..EExtended strand (participates in β ladder)trans-152.2178.3178.200000112.5H444 I452 F454G436-H444 CarbonylContact C-O 3.6Å; G436-H444 WeakPolarHBondContact CA-O 3.41Å; G436-I452 PolarHBondContact N-O 2.86Å; G436-F454 PolarHBondContact O-N 3.17Å
437Y92.8Very high88.7Confident13 Ų1335.9 Ų35.95%0.05119%0.193CC..EExtended strand (participates in β ladder)trans-140.7158.617566.2-101.4000113.6I417 A420 L431 D442 H444 F454I417-Y437 HydrophobicContact CB-CE1 4.36Å; I417-Y437 HydrophobicContact CD1-CE2 4.34Å; I417-Y437 HydrophobicContact CG1-CD1 4.4Å; I417-Y437 HydrophobicContact CG1-CD2 3.87Å; I417-Y437 HydrophobicContact CG1-CE1 4.22Å; I417-Y437 HydrophobicContact CG1-CE2 3.71Å; I417-Y437 HydrophobicContact CG1-CG 4.22Å; I417-Y437 HydrophobicContact CG2-CD1 4.46Å; I417-Y437 HydrophobicContact CG2-CE1 3.88Å; A420-Y437 HydrophobicContact CB-CD1 3.97Å; A420-Y437 HydrophobicContact CB-CG 4.49Å; L431-Y437 HydrophobicContact CD1-CD1 4.09Å; L431-Y437 HydrophobicContact CD1-CE1 3.63Å; L431-Y437 HydrophobicContact CD2-CD1 4.26Å; Y437-D442 PolarHBondContact OH-OD1 3.28Å; Y437-H444 HydrophobicContact CD1-CB 4.43Å; Y437-H444 HydrophobicContact CE1-CB 4.16Å; Y437-H444 PolarHBondContact N-O 3.19Å; Y437-H444 CarbonylContact O-C 3.59Å; Y437-H444 PolarHBondContact O-N 2.91Å; Y437-F454 CarbonylContact C-O 3.53Å; Y437-F454 WeakPolarHBondContact CA-O 3.39Å; Y437-F454 WeakPolarHBondContact CB-O 3.43Å
438S87.6Confident88.6Confident2 Ų236.4 Ų36.41%0.01420%0.196CC..EExtended strand (participates in β ladder)trans-144.4120.5165.9-179.60000111.8S443 F454 C455 V461S438-S443 WeakPolarHBondContact CA-OG 3.34Å; S438-S443 WeakPolarHBondContact CB-OG 3.42Å; S438-S443 PolarHBondContact OG-OG 2.87Å; S438-F454 PolarHBondContact N-O 3.15Å; S438-C455 WeakPolarHBondContact O-CA 3.14Å; S438-C455 WeakPolarHBondContact O-CB 3.24Å; S438-V461 WeakPolarHBondContact OG-CG2 3.02Å
439V81.5Confident88.8Confident3 Ų334.4 Ų34.42%0.01818%0.175CC..EExtended strand (participates in β ladder)trans-132.7168.7177.2-56.30000110.3R413 A416 I417 F441 D442 T456R413-V439 HydrophobicContact CB-CB 4.33Å; R413-V439 HydrophobicContact CB-CG1 4.47Å; R413-V439 HydrophobicContact CB-CG2 4.25Å; R413-V439 HydrophobicContact CG-CB 4.06Å; R413-V439 HydrophobicContact CG-CG2 4.25Å; A416-V439 HydrophobicContact CB-CG1 3.6Å; I417-V439 HydrophobicContact CD1-CG2 4.19Å; I417-V439 HydrophobicContact CG1-CG2 4.47Å; V439-F441 PolarHBondContact O-N 3.33Å; V439-F441 VanDerWaalsContact O-N 3.11Å; V439-D442 CarbonylContact C-O 3.56Å; V439-D442 HydrophobicContact CG2-CB 3.82Å; V439-D442 VanDerWaalsContact CG2-O 3.28Å; V439-D442 WeakPolarHBondContact CG2-O 3.32Å; V439-D442 PolarHBondContact N-O 3.36Å; V439-D442 PolarHBondContact O-N 3.44Å; V439-D442 VanDerWaalsContact O-N 3.12Å; V439-T456 HydrophobicContact CB-CG2 4.46Å; V439-T456 HydrophobicContact CG1-CG2 4.16Å
440R73Confident88.9Confident50 Ų5033.8 Ų33.819%0.18917%0.173CC..THydrogen-bonded Turntrans-48.1123173.3-172.4178.9163166.8-1.1110.9R413 D442 K459 P856 S885R413-R440 PolarHBondContact NE-O 2.74Å; R413-R440 PolarHBondContact NH2-O 3.38Å; R440-D442 VanDerWaalsContact C-N 3.26Å; R440-D442 PolarHBondContact O-N 3.16Å; R440-K459 WeakPolarHBondContact CA-O 3.06Å; R440-K459 WeakPolarHBondContact CB-O 3.03Å; R440-P856 HydrophobicContact CG-CB 4.34Å; R440-P856 PolarHBondContact NH1-O 3.04Å; R440-P856 PolarHBondContact NH2-O 2.82Å; R440-S885 PolarHBondContact NH2-OG 2.98Å
441F69.7Low89.2Confident19 Ų1926 Ų268%0.08314%0.139CC..THydrogen-bonded Turntrans64.13.8179-50.4-43.5000118.4V439 P856 F886 A964 Q967V439-F441 PolarHBondContact O-N 3.33Å; V439-F441 VanDerWaalsContact O-N 3.11Å; F441-P856 HydrophobicContact CE1-CG 3.79Å; F441-P856 HydrophobicContact CZ-CG 3.95Å; F441-F886 HydrophobicContact CD2-CZ 4.25Å; F441-F886 HydrophobicContact CE2-CZ 4.2Å; F441-A964 HydrophobicContact CD1-CB 4.45Å; F441-A964 HydrophobicContact CD2-CB 3.66Å; F441-A964 HydrophobicContact CE1-CB 4.23Å; F441-A964 HydrophobicContact CE2-CB 3.39Å; F441-A964 HydrophobicContact CG-CB 4.19Å; F441-A964 HydrophobicContact CZ-CB 3.7Å; F441-Q967 VanDerWaalsContact CA-OE1 3.31Å; F441-Q967 HydrophobicContact CD1-CB 4.12Å; F441-Q967 HydrophobicContact CE1-CB 4.39Å; F441-Q967 PolarHBondContact O-NE2 3.46Å
442D75.6Confident89.4Confident41 Ų4124.2 Ų24.222%0.21913%0.13CC..EExtended strand (participates in β ladder)trans-149.9124.3-177.1-170.62.4000109.9Y437 V439 R440 K670Y437-D442 PolarHBondContact OH-OD1 3.28Å; V439-D442 CarbonylContact C-O 3.56Å; V439-D442 HydrophobicContact CG2-CB 3.82Å; V439-D442 VanDerWaalsContact CG2-O 3.28Å; V439-D442 WeakPolarHBondContact CG2-O 3.32Å; V439-D442 PolarHBondContact N-O 3.36Å; V439-D442 PolarHBondContact O-N 3.44Å; V439-D442 VanDerWaalsContact O-N 3.12Å; R440-D442 VanDerWaalsContact C-N 3.26Å; R440-D442 PolarHBondContact O-N 3.16Å; D442-K670 IonicContact OD2-NZ 2.72Å; D442-K670 PolarHBondContact OD2-NZ 3.43Å
443S82.2Confident89.6Confident56 Ų5622.9 Ų22.939%0.39212%0.116SC..EExtended strand (participates in β ladder)trans-155.3140.5-172.7-68.70000112.9S438S438-S443 WeakPolarHBondContact CA-OG 3.34Å; S438-S443 WeakPolarHBondContact CB-OG 3.42Å; S438-S443 PolarHBondContact OG-OG 2.87Å
444H89.7Confident89.7Confident87 Ų8719 Ų1940%0.40310%0.098SC..EExtended strand (participates in β ladder)trans-145.788.8-179.8-161.5-60.1000109.1L431 G436 Y437L431-H444 VanDerWaalsContact C-CE1 3.5Å; L431-H444 PolarHBondContact O-CE1 2.93Å; L431-H444 VanDerWaalsContact O-CE1 3.23Å; G436-H444 CarbonylContact C-O 3.6Å; G436-H444 WeakPolarHBondContact CA-O 3.41Å; Y437-H444 HydrophobicContact CD1-CB 4.43Å; Y437-H444 HydrophobicContact CE1-CB 4.16Å; Y437-H444 PolarHBondContact N-O 3.19Å; Y437-H444 CarbonylContact O-C 3.59Å; Y437-H444 PolarHBondContact O-N 2.91Å
445F90.9Very high89.5Confident76 Ų7618.7 Ų18.733%0.33310%0.096SC..  trans-67.9146.4-172.7-63.5-66.4000113.5W309 G432 M453 V461W309-F445 HydrophobicContact CB-CD1 3.85Å; W309-F445 HydrophobicContact CB-CE1 4.43Å; W309-F445 HydrophobicContact CB-CG 4.43Å; G432-F445 VanDerWaalsContact CA-O 3.31Å; G432-F445 WeakPolarHBondContact CA-O 3.34Å; F445-M453 HydrophobicContact CD1-SD 3.95Å; F445-M453 HydrophobicContact CE1-SD 4.11Å; F445-V461 HydrophobicContact CE1-CG2 4Å; F445-V461 HydrophobicContact CZ-CG2 4.02Å
446P94.6Very high89Confident9 Ų919.2 Ų19.26%0.05810%0.099CC..  trans-86.7-177.6172.435.9-32.4000113.1W309 Q433 M453W309-P446 HydrophobicContact CD2-CG 4.45Å; W309-P446 HydrophobicContact CG-CG 4.4Å; Q433-P446 CarbonylContact O-C 3.59Å; Q433-P446 WeakPolarHBondContact O-CA 3.14Å; Q433-P446 WeakPolarHBondContact O-CB 3.21Å; P446-M453 HydrophobicContact CG-CB 4.31Å
447S92.2Very high88.1Confident19 Ų1919.6 Ų19.613%0.13310%0.101CC..  trans-56.2147.417455.60000112.8W309 Q433 Y449 S451W309-S447 PolarHBondContact NE1-O 3.16Å; Q433-S447 PolarHBondContact O-N 3.37Å; Q433-S447 PolarHBondContact O-OG 3.17Å; S447-Y449 PolarHBondContact O-N 3.15Å; S447-Y449 VanDerWaalsContact O-N 3.08Å; S447-Y449 PolarHBondContact OG-O 2.68Å; S447-S451 WeakPolarHBondContact O-CB 3.27Å; S447-S451 PolarHBondContact O-OG 2.97Å
448P92Very high86.7Confident13 Ų1319.6 Ų19.68%0.08410%0.101CC..SBendtrans-58.5-24.1-178.1-26.936000115.6N307 P308 I314 N405N307-P448 HydrophobicContact CB-CB 4.15Å; N307-P448 HydrophobicContact CB-CG 4.33Å; P308-P448 WeakPolarHBondContact CD-O 3.43Å; P308-P448 WeakPolarHBondContact CG-O 3.44Å; I314-P448 HydrophobicContact CD1-CB 3.73Å; I314-P448 HydrophobicContact CD1-CG 3.88Å; I314-P448 HydrophobicContact CG1-CG 4.47Å; N405-P448 PolarHBondContact ND2-O 2.83Å; N405-P448 PolarHBondContact OD1-O 2.98Å
449Y94.2Very high85.2Confident2 Ų222.6 Ų22.61%0.00811%0.114CC..SBendtrans-131.9155.7-178.9-52.5-80.7000110.8I303 N305 F306 I314 W319 L324 I327 N405 S447I303-Y449 WeakPolarHBondContact O-CE1 3.42Å; I303-Y449 PolarHBondContact O-OH 3.43Å; N305-Y449 PolarHBondContact N-OH 3.1Å; F306-Y449 PolarHBondContact N-OH 2.7Å; F306-Y449 VanDerWaalsContact N-OH 3.15Å; F306-Y449 PolarHBondContact O-OH 2.83Å; I314-Y449 HydrophobicContact CD1-CE2 3.68Å; W319-Y449 HydrophobicContact CB-CD2 4.48Å; W319-Y449 HydrophobicContact CB-CE2 4.08Å; W319-Y449 HydrophobicContact CD2-CD2 4.49Å; W319-Y449 HydrophobicContact CE3-CD2 4.17Å; L324-Y449 HydrophobicContact CD2-CD1 4.19Å; L324-Y449 HydrophobicContact CD2-CE1 3.85Å; I327-Y449 HydrophobicContact CD1-CD2 3.84Å; I327-Y449 HydrophobicContact CD1-CE2 3.61Å; I327-Y449 HydrophobicContact CD1-CG 4.46Å; I327-Y449 HydrophobicContact CG2-CD2 3.9Å; I327-Y449 HydrophobicContact CG2-CG 3.88Å; N405-Y449 VanDerWaalsContact OD1-CA 3.27Å; N405-Y449 WeakPolarHBondContact OD1-CA 3.45Å; S447-Y449 PolarHBondContact O-N 3.15Å; S447-Y449 VanDerWaalsContact O-N 3.08Å; S447-Y449 PolarHBondContact OG-O 2.68Å
450G95.2Very high83.9Confident2 Ų223.1 Ų23.12%0.02112%0.12CC..SBendtrans67.539.4170.800000113.6L392 G401 C404 N405 S434L392-G450 VanDerWaalsContact CD1-C 3.48Å; L392-G450 WeakPolarHBondContact CD1-O 3.41Å; L392-G450 WeakPolarHBondContact CD2-O 3.11Å; G401-G450 VanDerWaalsContact O-CA 3.24Å; G401-G450 WeakPolarHBondContact O-CA 3.31Å; C404-G450 CarbonylContact O-C 3.5Å; C404-G450 WeakPolarHBondContact O-CA 3.21Å; C404-G450 PolarHBondContact O-N 2.72Å; N405-G450 PolarHBondContact OD1-N 2.85Å; N405-G450 VanDerWaalsContact OD1-N 3.12Å; S434-G450 WeakPolarHBondContact CB-O 3.33Å
451S96.4Very high83.3Confident0 Ų021.7 Ų21.70%012%0.117CC..EExtended strand (participates in β ladder)trans-146.3166.1-162.661.10000116.3W309 C404 N405 I406 S434 S447W309-S451 VanDerWaalsContact CZ2-OG 3.31Å; W309-S451 WeakPolarHBondContact CZ2-OG 3.48Å; W309-S451 PolarHBondContact NE1-OG 3Å; C404-S451 PolarHBondContact O-N 2.79Å; C404-S451 VanDerWaalsContact O-N 3.16Å; N405-S451 WeakPolarHBondContact CA-O 3.33Å; I406-S451 PolarHBondContact N-O 3.25Å; S434-S451 CarbonylContact O-C 3.5Å; S434-S451 WeakPolarHBondContact O-CA 3.45Å; S434-S451 VanDerWaalsContact O-CB 3.23Å; S434-S451 WeakPolarHBondContact O-CB 3.26Å; S447-S451 WeakPolarHBondContact O-CB 3.27Å; S447-S451 PolarHBondContact O-OG 2.97Å
452I97.7Very high83.4Confident0 Ų020.9 Ų20.90%011%0.114CC..EExtended strand (participates in β ladder)trans-127.2119.8-170.4-50.1173.1000108.6C388 Q389 L392 I406 V408 S434 V435 G436 F454C388-I452 HydrophobicContact CB-CD1 3.98Å; C388-I452 HydrophobicContact CB-CG2 3.97Å; Q389-I452 HydrophobicContact CG-CD1 4.39Å; L392-I452 HydrophobicContact CB-CD1 4.49Å; L392-I452 HydrophobicContact CD2-CD1 3.95Å; L392-I452 HydrophobicContact CD2-CG1 3.89Å; I406-I452 HydrophobicContact CB-CG1 4.4Å; I406-I452 HydrophobicContact CB-CG2 4.48Å; I406-I452 HydrophobicContact CD1-CG1 4.37Å; I406-I452 CarbonylContact O-C 3.5Å; I406-I452 WeakPolarHBondContact O-CA 3.27Å; V408-I452 HydrophobicContact CG2-CG2 3.78Å; S434-I452 PolarHBondContact O-N 2.89Å; V435-I452 WeakPolarHBondContact CA-O 3.37Å; G436-I452 PolarHBondContact N-O 2.86Å; I452-F454 HydrophobicContact CG2-CD2 4.14Å; I452-F454 HydrophobicContact CG2-CE2 3.59Å; I452-F454 HydrophobicContact CG2-CZ 4.01Å
453M95.1Very high83.1Confident0 Ų019.7 Ų19.70%011%0.107CC..EExtended strand (participates in β ladder)trans-112.6112.3176.1-174.2175.667.100111.1W309 I406 I407 V408 F445 P446 V461W309-M453 HydrophobicContact CB-SD 4.35Å; W309-M453 HydrophobicContact CD2-CB 4.41Å; W309-M453 HydrophobicContact CD2-CE 4.49Å; W309-M453 HydrophobicContact CD2-SD 4.26Å; W309-M453 HydrophobicContact CE3-CB 4.04Å; W309-M453 HydrophobicContact CE3-CE 3.52Å; W309-M453 HydrophobicContact CE3-SD 3.83Å; W309-M453 HydrophobicContact CH2-CB 4.23Å; W309-M453 HydrophobicContact CZ3-CB 3.95Å; W309-M453 HydrophobicContact CZ3-CE 3.9Å; I406-M453 PolarHBondContact O-N 3.16Å; I407-M453 HydrophobicContact CD1-CE 4.25Å; I407-M453 HydrophobicContact CG1-CE 4.22Å; V408-M453 PolarHBondContact N-O 2.86Å; F445-M453 HydrophobicContact CD1-SD 3.95Å; F445-M453 HydrophobicContact CE1-SD 4.11Å; P446-M453 HydrophobicContact CG-CB 4.31Å; M453-V461 HydrophobicContact CE-CG1 3.88Å; M453-V461 HydrophobicContact SD-CG1 4.45Å
454F94.6Very high82.4Confident0 Ų020.9 Ų20.90%010%0.103CC..EExtended strand (participates in β ladder)trans-81.8133.1173.1-69.6-91000111V408 Q410 A416 V419 A420 V423 V435 G436 Y437 S438 I452V408-F454 HydrophobicContact CB-CD1 3.65Å; V408-F454 HydrophobicContact CB-CE1 3.7Å; V408-F454 HydrophobicContact CB-CG 4.31Å; V408-F454 HydrophobicContact CB-CZ 4.41Å; V408-F454 HydrophobicContact CG1-CD1 3.76Å; V408-F454 HydrophobicContact CG1-CE1 3.58Å; V408-F454 HydrophobicContact CG2-CD1 4.37Å; V408-F454 HydrophobicContact CG2-CE1 4.03Å; V408-F454 HydrophobicContact CG2-CZ 4.28Å; V408-F454 CarbonylContact O-C 3.59Å; V408-F454 VanDerWaalsContact O-CA 3.29Å; V408-F454 WeakPolarHBondContact O-CA 3.33Å; Q410-F454 HydrophobicContact CG-CD1 4.23Å; A416-F454 HydrophobicContact CB-CB 4.25Å; A416-F454 WeakPolarHBondContact O-CB 3.48Å; V419-F454 HydrophobicContact CB-CD1 4.3Å; V419-F454 HydrophobicContact CB-CE1 4.19Å; V419-F454 HydrophobicContact CG1-CD1 3.88Å; V419-F454 HydrophobicContact CG1-CE1 3.29Å; V419-F454 HydrophobicContact CG1-CE2 4.39Å; V419-F454 HydrophobicContact CG1-CZ 3.6Å; A420-F454 HydrophobicContact CB-CB 4.19Å; A420-F454 HydrophobicContact CB-CD2 3.65Å; A420-F454 HydrophobicContact CB-CE2 4.42Å; A420-F454 HydrophobicContact CB-CG 4.15Å; V423-F454 HydrophobicContact CB-CE2 4.34Å; V423-F454 HydrophobicContact CG2-CE2 4.41Å; V423-F454 HydrophobicContact CG2-CZ 4.1Å; V435-F454 HydrophobicContact CG1-CD2 4.23Å; V435-F454 HydrophobicContact CG1-CE2 4Å; G436-F454 PolarHBondContact O-N 3.17Å; Y437-F454 CarbonylContact C-O 3.53Å; Y437-F454 WeakPolarHBondContact CA-O 3.39Å; Y437-F454 WeakPolarHBondContact CB-O 3.43Å; S438-F454 PolarHBondContact N-O 3.15Å; I452-F454 HydrophobicContact CG2-CD2 4.14Å; I452-F454 HydrophobicContact CG2-CE2 3.59Å; I452-F454 HydrophobicContact CG2-CZ 4.01Å
455C91.8Very high81.6Confident0 Ų017.8 Ų17.80%09%0.088CC..EExtended strand (participates in β ladder)trans-148.7167.6-178.2640000114.2V408 T409 Q410 S438V408-C455 PolarHBondContact O-N 2.76Å; T409-C455 CarbonylContact C-O 3.59Å; T409-C455 VanDerWaalsContact CA-O 3.31Å; T409-C455 WeakPolarHBondContact CA-O 3.49Å; Q410-C455 PolarHBondContact N-O 3.46Å; S438-C455 WeakPolarHBondContact O-CA 3.14Å; S438-C455 WeakPolarHBondContact O-CB 3.24Å
456T86.5Confident81Confident12 Ų1214.5 Ų14.57%0.0747%0.074CC..  trans-85.3140.9163.152.60000109.8R413 V439 F458R413-T456 HydrophobicContact CG-CG2 4.16Å; V439-T456 HydrophobicContact CB-CG2 4.46Å; V439-T456 HydrophobicContact CG1-CG2 4.16Å; T456-F458 VanDerWaalsContact C-N 3.3Å; T456-F458 PolarHBondContact O-N 3.49Å; T456-F458 PolarHBondContact OG1-O 2.91Å
457P76.2Confident80.1Confident7 Ų715.8 Ų15.85%0.0458%0.079CC..SBendtrans-59.9-37.9-173.720.5-31.5000113.1T409 Q410 D487 L491T409-P457 HydrophobicContact CG2-CB 4.36Å; Q410-P457 WeakPolarHBondContact O-CD 3.46Å; P457-D487 HydrophobicContact CB-CB 4.29Å; P457-D487 HydrophobicContact CG-CB 3.82Å; P457-L491 HydrophobicContact CB-CD2 4.02Å
458F64Low79.1Confident13 Ų1316.5 Ų16.56%0.0578%0.081CC..SBendtrans-120.4170.5174.3-115.5-136000111.7T456 G460 L463 D487 F490 A801T456-F458 VanDerWaalsContact C-N 3.3Å; T456-F458 PolarHBondContact O-N 3.49Å; T456-F458 PolarHBondContact OG1-O 2.91Å; F458-G460 PolarHBondContact O-N 3.48Å; F458-G460 VanDerWaalsContact O-N 3.16Å; F458-L463 HydrophobicContact CD1-CD2 4.22Å; F458-L463 HydrophobicContact CD2-CB 4.31Å; F458-L463 HydrophobicContact CD2-CD2 4.28Å; F458-L463 HydrophobicContact CE1-CD2 3.98Å; F458-L463 HydrophobicContact CE2-CB 4.43Å; F458-L463 HydrophobicContact CE2-CD1 3.81Å; F458-L463 HydrophobicContact CE2-CD2 4.04Å; F458-L463 HydrophobicContact CE2-CG 4.31Å; F458-L463 HydrophobicContact CG-CD2 4.37Å; F458-L463 HydrophobicContact CZ-CD1 4.06Å; F458-L463 HydrophobicContact CZ-CD2 3.91Å; F458-D487 HydrophobicContact CB-CB 3.81Å; F458-D487 WeakPolarHBondContact CB-OD2 3.39Å; F458-D487 HydrophobicContact CG-CB 4.37Å; F458-F490 HydrophobicContact CD2-CD1 4.42Å; F458-F490 AromaticContact CE2-CD1 3.41Å; F458-F490 HydrophobicContact CE2-CD1 3.41Å; F458-F490 VanDerWaalsContact CE2-CD1 3.41Å; F458-F490 AromaticContact CE2-CE1 3.41Å; F458-F490 HydrophobicContact CE2-CE1 3.41Å; F458-F490 VanDerWaalsContact CE2-CE1 3.41Å; F458-F490 HydrophobicContact CE2-CG 4.3Å; F458-F490 HydrophobicContact CE2-CZ 4.3Å; F458-F490 AromaticContact CZ-CD1 3.74Å; F458-F490 HydrophobicContact CZ-CD1 3.74Å; F458-F490 AromaticContact CZ-CE1 3.57Å; F458-F490 HydrophobicContact CZ-CE1 3.57Å; F458-F490 HydrophobicContact CZ-CG 4.31Å; F458-F490 HydrophobicContact CZ-CZ 4Å; F458-A801 HydrophobicContact CE1-CB 3.75Å; F458-A801 HydrophobicContact CE2-CB 4.5Å; F458-A801 HydrophobicContact CZ-CB 3.38Å
459K57.1Low78.5Confident65 Ų6516.2 Ų16.228%0.2838%0.08SC..SBendtrans54.932.6178-47-174.5-165.4-169.70113.5R440 E797R440-K459 WeakPolarHBondContact CA-O 3.06Å; R440-K459 WeakPolarHBondContact CB-O 3.03Å; K459-E797 WeakPolarHBondContact CE-OE1 3.31Å; K459-E797 WeakPolarHBondContact CE-OE2 3.4Å; K459-E797 IonicContact NZ-OE1 2.89Å; K459-E797 PolarHBondContact NZ-OE1 3.23Å; K459-E797 IonicContact NZ-OE2 3.88Å; K459-E797 PolarHBondContact NZ-OE2 2.9Å
460G54.3Low78.2Confident14 Ų1416.1 Ų16.114%0.1448%0.08CC..SBendtrans-150.9-156.617800000110.6F458 L462F458-G460 PolarHBondContact O-N 3.48Å; F458-G460 VanDerWaalsContact O-N 3.16Å; G460-L462 PolarHBondContact O-N 3.37Å
461V58.9Low77.9Confident21 Ų2117 Ų1713%0.1278%0.083CC..Hα-helixtrans-66.9-31.9-175.6159.20000113.7S438 F445 M453 L463 R464 R465S438-V461 WeakPolarHBondContact OG-CG2 3.02Å; F445-V461 HydrophobicContact CE1-CG2 4Å; F445-V461 HydrophobicContact CZ-CG2 4.02Å; M453-V461 HydrophobicContact CE-CG1 3.88Å; M453-V461 HydrophobicContact SD-CG1 4.45Å; V461-L463 PolarHBondContact O-N 2.75Å; V461-R464 CarbonylContact O-C 3.48Å; V461-R464 PolarHBondContact O-N 2.92Å; V461-R465 HydrophobicContact CG1-CG 3.48Å; V461-R465 VanDerWaalsContact CG1-CG 3.48Å; V461-R465 WeakPolarHBondContact O-CG 3.48Å; V461-R465 PolarHBondContact O-N 3.35Å
462L72.1Confident77.6Confident2 Ų217 Ų171%0.018%0.084CC..Hα-helixtrans-61.8-45-172.5-176.259.8000114.2I407 T409 G460 R464 R465 M466 L470 L491I407-L462 HydrophobicContact CD1-CD1 4Å; T409-L462 HydrophobicContact CG2-CD2 3.66Å; G460-L462 PolarHBondContact O-N 3.37Å; L462-R464 VanDerWaalsContact C-N 3.32Å; L462-R464 PolarHBondContact O-N 3.23Å; L462-R465 WeakPolarHBondContact O-CB 3.45Å; L462-R465 PolarHBondContact O-N 3.05Å; L462-R465 VanDerWaalsContact O-N 3.12Å; L462-M466 WeakPolarHBondContact O-CG 3.41Å; L462-M466 PolarHBondContact O-N 2.93Å; L462-L470 HydrophobicContact CD1-CD2 3.9Å; L462-L491 HydrophobicContact CD2-CD1 3.94Å; L462-L491 HydrophobicContact CD2-CD2 3.83Å
463L69Low77.4Confident15 Ų1517 Ų178%0.0798%0.084CC..Hα-helixtrans-61.4-40.9176.8179.558.5000111.9F458 V461 R465 M466 E467 A801 L805F458-L463 HydrophobicContact CD1-CD2 4.22Å; F458-L463 HydrophobicContact CD2-CB 4.31Å; F458-L463 HydrophobicContact CD2-CD2 4.28Å; F458-L463 HydrophobicContact CE1-CD2 3.98Å; F458-L463 HydrophobicContact CE2-CB 4.43Å; F458-L463 HydrophobicContact CE2-CD1 3.81Å; F458-L463 HydrophobicContact CE2-CD2 4.04Å; F458-L463 HydrophobicContact CE2-CG 4.31Å; F458-L463 HydrophobicContact CG-CD2 4.37Å; F458-L463 HydrophobicContact CZ-CD1 4.06Å; F458-L463 HydrophobicContact CZ-CD2 3.91Å; V461-L463 PolarHBondContact O-N 2.75Å; L463-R465 VanDerWaalsContact C-N 3.33Å; L463-R465 PolarHBondContact O-N 2.69Å; L463-M466 PolarHBondContact O-N 2.86Å; L463-E467 PolarHBondContact O-N 3.38Å; L463-A801 HydrophobicContact CD1-CB 4.28Å; L463-A801 HydrophobicContact CD2-CB 4.28Å; L463-L805 HydrophobicContact CD1-CD1 3.76Å; L463-L805 HydrophobicContact CD1-CD2 4.19Å; L463-L805 HydrophobicContact CD1-CG 4.05Å
464R68Low77.4Confident82 Ų8217.5 Ų17.531%0.3099%0.088SC..Hα-helixtrans-71.5-26175.8-62.8-178.8-177.4177.9-1.2112.7V461 L462 N468 H854V461-R464 CarbonylContact O-C 3.48Å; V461-R464 PolarHBondContact O-N 2.92Å; L462-R464 VanDerWaalsContact C-N 3.32Å; L462-R464 PolarHBondContact O-N 3.23Å; R464-N468 PolarHBondContact O-N 3.44Å; R464-N468 PolarHBondContact O-ND2 2.85Å; R464-H854 PolarHBondContact NH2-O 3.33Å
465R72.3Confident77.6Confident21 Ų2117.8 Ų17.88%0.0799%0.089CC..Hα-helixtrans-68.7-41.2168-64.1-95.2131.9-95.9-15.6110.3P308 W309 T310 G311 V461 L462 L463 E467 N468 G469 L470P308-R465 WeakPolarHBondContact O-CD 3.44Å; P308-R465 PolarHBondContact O-NE 3.41Å; W309-R465 VanDerWaalsContact O-CZ 3.25Å; W309-R465 PolarHBondContact O-NE 3.09Å; W309-R465 VanDerWaalsContact O-NE 3.08Å; W309-R465 PolarHBondContact O-NH2 3.38Å; T310-R465 PolarHBondContact O-NH2 2.85Å; G311-R465 VanDerWaalsContact CA-NH1 3.34Å; V461-R465 HydrophobicContact CG1-CG 3.48Å; V461-R465 VanDerWaalsContact CG1-CG 3.48Å; V461-R465 WeakPolarHBondContact O-CG 3.48Å; V461-R465 PolarHBondContact O-N 3.35Å; L462-R465 WeakPolarHBondContact O-CB 3.45Å; L462-R465 PolarHBondContact O-N 3.05Å; L462-R465 VanDerWaalsContact O-N 3.12Å; L463-R465 VanDerWaalsContact C-N 3.33Å; L463-R465 PolarHBondContact O-N 2.69Å; R465-E467 VanDerWaalsContact C-N 3.32Å; R465-E467 PolarHBondContact O-N 3.18Å; R465-N468 PolarHBondContact O-N 3.5Å; R465-G469 CarbonylContact O-C 3.55Å; R465-G469 WeakPolarHBondContact O-CA 3.44Å; R465-G469 PolarHBondContact O-N 3.25Å; R465-G469 VanDerWaalsContact O-O 3.04Å; R465-L470 HydrophobicContact CB-CD2 3.86Å
466M78.4Confident77.8Confident7 Ų717.8 Ų17.83%0.0349%0.089CC..Hα-helixtrans-62.7-38.4179.5-73.1-172148.200112.4V297 L462 L463 L470 L491 I494 L805V297-M466 HydrophobicContact CG1-CB 4.07Å; V297-M466 HydrophobicContact CG1-CG 4.1Å; V297-M466 WeakPolarHBondContact CG1-O 3.25Å; V297-M466 HydrophobicContact CG2-CB 3.86Å; V297-M466 HydrophobicContact CG2-CG 4.32Å; V297-M466 WeakPolarHBondContact CG2-O 3.16Å; L462-M466 WeakPolarHBondContact O-CG 3.41Å; L462-M466 PolarHBondContact O-N 2.93Å; L463-M466 PolarHBondContact O-N 2.86Å; M466-L470 HydrophobicContact CE-CD1 4.07Å; M466-L470 HydrophobicContact CG-CD1 4.27Å; M466-L470 HydrophobicContact CG-CD2 4.41Å; M466-L470 HydrophobicContact CG-CG 4.41Å; M466-L491 HydrophobicContact CE-CD1 3.45Å; M466-L491 VanDerWaalsContact CE-CD1 3.45Å; M466-L491 HydrophobicContact SD-CD1 4.31Å; M466-I494 HydrophobicContact CE-CB 3.99Å; M466-I494 HydrophobicContact CE-CD1 4.34Å; M466-I494 HydrophobicContact CE-CG2 3.54Å; M466-I494 HydrophobicContact SD-CB 4.5Å; M466-I494 HydrophobicContact SD-CD1 3.71Å; M466-I494 HydrophobicContact SD-CG2 4.09Å; M466-L805 HydrophobicContact CB-CD1 4.09Å; M466-L805 HydrophobicContact CB-CD2 3.78Å; M466-L805 HydrophobicContact SD-CD1 4.42Å
467E75.7Confident78.3Confident37 Ų3717.2 Ų17.217%0.1739%0.085CC..Hα-helixtrans-64.9-44.6173.2-175-179.5168.600112.9L463 R465 L805 R850 H854L463-E467 PolarHBondContact O-N 3.38Å; R465-E467 VanDerWaalsContact C-N 3.32Å; R465-E467 PolarHBondContact O-N 3.18Å; E467-L805 HydrophobicContact CB-CD2 3.98Å; E467-R850 IonicContact OE1-CZ 2.92Å; E467-R850 IonicContact OE1-NH1 2.95Å; E467-R850 PolarHBondContact OE1-NH1 2.68Å; E467-R850 IonicContact OE1-NH2 3.82Å; E467-H854 IonicContact OE1-CE1 3.89Å; E467-H854 IonicContact OE2-CE1 3.59Å; E467-H854 PolarHBondContact OE2-CE1 3.38Å; E467-H854 IonicContact OE2-NE2 2.7Å; E467-H854 PolarHBondContact OE2-NE2 3.02Å
468N72.7Confident79.2Confident34 Ų3416.9 Ų16.918%0.1828%0.083CC..Hα-helixtrans-81.6-19.2-176.5-72.7-66000114.1R24 V26 R464 R465R24-N468 PolarHBondContact NH1-O 3.18Å; V26-N468 WeakPolarHBondContact CG1-OD1 3.47Å; V26-N468 WeakPolarHBondContact CG2-OD1 3.39Å; R464-N468 PolarHBondContact O-N 3.44Å; R464-N468 PolarHBondContact O-ND2 2.85Å; R465-N468 PolarHBondContact O-N 3.5Å
469G79.5Confident80.6Confident6 Ų616.4 Ų16.46%0.0628%0.081CC..  trans110.1139.4-170.700000112.8R298 R465 Q471R298-G469 CarbonylContact O-C 3.49Å; R298-G469 WeakPolarHBondContact O-CA 3.28Å; R465-G469 CarbonylContact O-C 3.55Å; R465-G469 WeakPolarHBondContact O-CA 3.44Å; R465-G469 PolarHBondContact O-N 3.25Å; R465-G469 VanDerWaalsContact O-O 3.04Å; G469-Q471 PolarHBondContact O-N 3.38Å
470L87.7Confident82.1Confident0 Ų013.8 Ų13.80%07%0.07CC..EExtended strand (participates in β ladder)trans-83.131.2170.8-66.3168.3000111.5V297 R298 I407 L462 R465 M466 G472 V473 I476 L498V297-L470 HydrophobicContact CG1-CB 4.44Å; V297-L470 HydrophobicContact CG1-CD1 3.65Å; V297-L470 HydrophobicContact CG1-CG 3.76Å; R298-L470 PolarHBondContact O-N 3.42Å; I407-L470 HydrophobicContact CD1-CD2 4.45Å; L462-L470 HydrophobicContact CD1-CD2 3.9Å; R465-L470 HydrophobicContact CB-CD2 3.86Å; M466-L470 HydrophobicContact CE-CD1 4.07Å; M466-L470 HydrophobicContact CG-CD1 4.27Å; M466-L470 HydrophobicContact CG-CD2 4.41Å; M466-L470 HydrophobicContact CG-CG 4.41Å; L470-G472 PolarHBondContact O-N 2.86Å; L470-V473 PolarHBondContact O-N 3Å; L470-I476 HydrophobicContact CD1-CD1 4Å; L470-L498 HydrophobicContact CD1-CD1 3.94Å
471Q88.6Confident83.9Confident20 Ų2013.1 Ų13.19%0.0936%0.063CC..EExtended strand (participates in β ladder)trans-58.3128.9-178.9-65.6175.1-92.200110F306 P308 G469 V473F306-Q471 HydrophobicContact CE1-CB 3.88Å; F306-Q471 WeakPolarHBondContact CE1-O 3.38Å; F306-Q471 HydrophobicContact CZ-CB 4.07Å; P308-Q471 WeakPolarHBondContact CB-O 3.31Å; G469-Q471 PolarHBondContact O-N 3.38Å; Q471-V473 VanDerWaalsContact C-N 3.32Å; Q471-V473 PolarHBondContact O-N 3.18Å
472G90.6Very high85.2Confident1 Ų113.2 Ų13.21%0.016%0.062CC..THydrogen-bonded Turntrans75.610.5179.100000116.4S300 N405 L470S300-G472 PolarHBondContact O-N 3.2Å; S300-G472 PolarHBondContact OG-N 2.99Å; N405-G472 VanDerWaalsContact CB-O 3.29Å; N405-G472 WeakPolarHBondContact CB-O 3.37Å; N405-G472 PolarHBondContact ND2-O 3.38Å; L470-G472 PolarHBondContact O-N 2.86Å
473V93.3Very high85.7Confident0 Ų015.1 Ų15.10%07%0.071CC..  trans-92.8118168.8-179.70000108.9W299 P308 W309 I407 L470 Q471 I476W299-V473 PolarHBondContact NE1-O 3.25Å; P308-V473 HydrophobicContact CB-CG2 4.35Å; W309-V473 HydrophobicContact CZ3-CG2 4.46Å; I407-V473 HydrophobicContact CD1-CG1 3.95Å; I407-V473 HydrophobicContact CD1-CG2 3.86Å; I407-V473 HydrophobicContact CG1-CG1 3.91Å; I407-V473 HydrophobicContact CG1-CG2 4.36Å; L470-V473 PolarHBondContact O-N 3Å; Q471-V473 VanDerWaalsContact C-N 3.32Å; Q471-V473 PolarHBondContact O-N 3.18Å; V473-I476 HydrophobicContact CG1-CD1 4.34Å; V473-I476 HydrophobicContact CG1-CG1 3.8Å
474S95.1Very high86.7Confident11 Ų1115.4 Ų15.48%0.0777%0.071CC..  trans-87.4-36.4-177.663.80000113.8C403 N405 R506C403-S474 WeakPolarHBondContact O-CB 3.49Å; N405-S474 PolarHBondContact N-OG 2.9Å; N405-S474 PolarHBondContact O-N 2.79Å; N405-S474 PolarHBondContact O-OG 2.82Å; S474-R506 PolarHBondContact O-N 2.85Å
475H97.3Very high87.6Confident5 Ų513.1 Ų13.12%0.0237%0.065CC..EExtended strand (participates in β ladder)trans-136.5140.2-174.4-61.776.4000110I391 N405 I406 I407 R506 I508I391-H475 WeakPolarHBondContact CG2-NE2 3.49Å; N405-H475 PolarHBondContact O-N 3.09Å; N405-H475 VanDerWaalsContact O-N 3.17Å; I406-H475 WeakPolarHBondContact CA-O 3.49Å; I406-H475 HydrophobicContact CB-CB 4.48Å; I406-H475 HydrophobicContact CG1-CB 4.19Å; I406-H475 HydrophobicContact CG2-CB 4.17Å; I407-H475 PolarHBondContact N-O 3.5Å; H475-R506 CarbonylContact C-O 3.53Å; H475-R506 VanDerWaalsContact CA-O 3.32Å; H475-R506 WeakPolarHBondContact CA-O 3.03Å; H475-R506 VanDerWaalsContact CD2-CB 3.46Å; H475-R506 WeakPolarHBondContact CD2-CB 3.3Å; H475-I508 HydrophobicContact CB-CD1 4.24Å
476I95.8Very high88.3Confident0 Ų012.6 Ų12.60%06%0.064CC..EExtended strand (participates in β ladder)trans-124.6114.1173.6-61175.5000108.2I407 L470 V473 L495 L505 R506 V507 I508I407-I476 HydrophobicContact CB-CG1 4.47Å; L470-I476 HydrophobicContact CD1-CD1 4Å; V473-I476 HydrophobicContact CG1-CD1 4.34Å; V473-I476 HydrophobicContact CG1-CG1 3.8Å; I476-L495 HydrophobicContact CB-CD2 4.47Å; I476-L495 HydrophobicContact CD1-CD2 3.73Å; I476-L495 HydrophobicContact CG2-CD1 4Å; I476-L495 HydrophobicContact CG2-CD2 4.18Å; I476-L505 HydrophobicContact CD1-CD1 4.17Å; I476-L505 HydrophobicContact CD1-CD2 4.47Å; I476-L505 HydrophobicContact CG1-CD1 4.24Å; I476-R506 PolarHBondContact N-O 2.92Å; I476-V507 WeakPolarHBondContact O-CA 3.49Å; I476-I508 PolarHBondContact O-N 3.42Å
477I97.2Very high88.8Confident1 Ų114.2 Ų14.21%0.0057%0.073CC..EExtended strand (participates in β ladder)trans-100.2120.7176.7-48-168.6000108.6V387 C388 I391 I406 I407 V408 T409 I508 M510V387-I477 HydrophobicContact CG1-CD1 4.26Å; C388-I477 HydrophobicContact CB-CD1 3.84Å; I391-I477 HydrophobicContact CD1-CD1 4.2Å; I406-I477 HydrophobicContact CG2-CD1 3.89Å; I406-I477 HydrophobicContact CG2-CG1 3.88Å; I407-I477 PolarHBondContact O-N 3.23Å; V408-I477 CarbonylContact C-O 3.59Å; V408-I477 WeakPolarHBondContact CA-O 3.22Å; V408-I477 HydrophobicContact CB-CB 4.43Å; V408-I477 HydrophobicContact CG1-CB 4.19Å; V408-I477 HydrophobicContact CG1-CG2 4.34Å; V408-I477 HydrophobicContact CG2-CB 4.16Å; V408-I477 HydrophobicContact CG2-CD1 4.18Å; V408-I477 HydrophobicContact CG2-CG1 4.31Å; T409-I477 PolarHBondContact N-O 3.02Å; I477-I508 CarbonylContact C-O 3.54Å; I477-I508 VanDerWaalsContact CA-O 3.26Å; I477-I508 WeakPolarHBondContact CA-O 3.42Å; I477-I508 HydrophobicContact CB-CB 4.46Å; I477-I508 HydrophobicContact CG1-CB 4.14Å; I477-I508 HydrophobicContact CG1-CD1 4.1Å; I477-I508 HydrophobicContact CG2-CB 4.23Å; I477-I508 HydrophobicContact CG2-CG2 4.39Å; I477-M510 HydrophobicContact CG2-CE 3.59Å; I477-M510 HydrophobicContact CG2-CG 3.84Å; I477-M510 HydrophobicContact CG2-SD 3.81Å
478V95.1Very high89.5Confident0 Ų012.8 Ų12.80%07%0.067CC..EExtended strand (participates in β ladder)trans-100107.6170.8-163.30000107.5T409 V481 T488 L491 L492 L495 I508 L509 M510T409-V478 WeakPolarHBondContact OG1-CA 3.48Å; T409-V478 WeakPolarHBondContact OG1-CG1 3.44Å; V478-V481 HydrophobicContact CB-CG1 3.91Å; V478-V481 HydrophobicContact CG1-CG1 3.73Å; V478-V481 VanDerWaalsContact O-CG1 3.22Å; V478-V481 WeakPolarHBondContact O-CG1 3.43Å; V478-T488 HydrophobicContact CG1-CG2 3.99Å; V478-L491 HydrophobicContact CG1-CD2 4.48Å; V478-L491 HydrophobicContact CG2-CD2 4.24Å; V478-L492 HydrophobicContact CG2-CD2 4.38Å; V478-L495 HydrophobicContact CG2-CD1 3.59Å; V478-I508 PolarHBondContact N-O 2.82Å; V478-L509 HydrophobicContact CB-CD2 4.03Å; V478-L509 HydrophobicContact CG2-CD2 4.03Å; V478-M510 PolarHBondContact O-N 2.92Å
479D93.2Very high90.4Very high3 Ų311.2 Ų11.22%0.0166%0.058CC..  trans-95.2159.2-178.9-160.612.6000112.8T384 T409 Q410 V481 M510T384-D479 WeakPolarHBondContact CB-OD2 3.42Å; T384-D479 WeakPolarHBondContact CG2-OD2 3.29Å; T384-D479 PolarHBondContact OG1-OD2 3.4Å; T409-D479 WeakPolarHBondContact O-CB 3.47Å; T409-D479 PolarHBondContact O-N 3.31Å; Q410-D479 VanDerWaalsContact NE2-CB 3.26Å; Q410-D479 PolarHBondContact NE2-OD2 3.42Å; D479-V481 PolarHBondContact O-N 3.08Å; D479-M510 HydrophobicContact CB-CE 3.85Å; D479-M510 WeakPolarHBondContact OD1-CB 3.49Å; D479-M510 WeakPolarHBondContact OD1-CE 3.5Å
480E89.6Confident91Very high9 Ų911 Ų114%0.0426%0.056CC..SBendtrans5137.4-179-50.3-74.6-132.600113.5P411 H482 E483 M510 S715 S716P411-E480 HydrophobicContact CG-CB 4.1Å; E480-H482 WeakPolarHBondContact CA-NE2 3.29Å; E480-H482 PolarHBondContact O-N 3.19Å; E480-H482 IonicContact OE2-NE2 3.87Å; E480-H482 PolarHBondContact OE2-NE2 3.41Å; E480-E483 PolarHBondContact O-N 2.94Å; E480-M510 PolarHBondContact N-O 3.17Å; E480-M510 VanDerWaalsContact N-O 3.13Å; E480-S715 WeakPolarHBondContact OE1-CB 3.1Å; E480-S716 WeakPolarHBondContact OE1-CA 3.48Å; E480-S716 PolarHBondContact OE1-N 2.99Å
481V91.5Very high91.2Very high0 Ų011.2 Ų11.20%06%0.057CC..G310 helixtrans-59.2-12-171.4-55.70000115.5V478 D479 E483 R484 L509 M510 F519V478-V481 HydrophobicContact CB-CG1 3.91Å; V478-V481 HydrophobicContact CG1-CG1 3.73Å; V478-V481 VanDerWaalsContact O-CG1 3.22Å; V478-V481 WeakPolarHBondContact O-CG1 3.43Å; D479-V481 PolarHBondContact O-N 3.08Å; V481-E483 VanDerWaalsContact C-N 3.27Å; V481-E483 PolarHBondContact O-N 2.6Å; V481-R484 WeakPolarHBondContact O-CD 3.44Å; V481-L509 HydrophobicContact CG1-CB 4.37Å; V481-M510 PolarHBondContact N-O 3.18Å; V481-M510 VanDerWaalsContact N-O 3.13Å; V481-F519 HydrophobicContact CB-CE1 3.87Å; V481-F519 HydrophobicContact CB-CZ 4.09Å; V481-F519 HydrophobicContact CG2-CD1 4.31Å; V481-F519 HydrophobicContact CG2-CE1 3.59Å; V481-F519 HydrophobicContact CG2-CE2 4.5Å; V481-F519 HydrophobicContact CG2-CZ 3.68Å
482H87.2Confident91.4Very high24 Ų2410.3 Ų10.311%0.1115%0.052CC..G310 helixtrans-71.4-13.1173.849-107000114.4E480 R484 S511 A512 T513 V514 Q757E480-H482 WeakPolarHBondContact CA-NE2 3.29Å; E480-H482 PolarHBondContact O-N 3.19Å; E480-H482 IonicContact OE2-NE2 3.87Å; E480-H482 PolarHBondContact OE2-NE2 3.41Å; H482-R484 VanDerWaalsContact C-N 3.34Å; H482-S511 WeakPolarHBondContact CE1-CA 3.46Å; H482-S511 WeakPolarHBondContact CE1-CB 3.43Å; H482-S511 PolarHBondContact CE1-OG 3.31Å; H482-S511 PolarHBondContact ND1-OG 3.39Å; H482-A512 PolarHBondContact CE1-N 3.12Å; H482-A512 PolarHBondContact ND1-N 2.88Å; H482-A512 VanDerWaalsContact NE2-CB 3.31Å; H482-A512 WeakPolarHBondContact NE2-CB 3.44Å; H482-A512 PolarHBondContact NE2-N 2.57Å; H482-T513 WeakPolarHBondContact CB-O 3.41Å; H482-V514 HydrophobicContact CB-CG2 3.79Å; H482-Q757 PolarHBondContact CD2-NE2 3.34Å
483E83Confident91.5Very high41 Ų4110.2 Ų10.219%0.1925%0.052CC..G310 helixtrans-74.1-25.7-179.7-67.3-157.2-123.200113.2P411 R412 E480 V481 D485 S715P411-E483 WeakPolarHBondContact CG-OE1 3.21Å; R412-E483 IonicContact CZ-OE1 2.7Å; R412-E483 IonicContact CZ-OE2 2.97Å; R412-E483 IonicContact NH1-OE1 3.51Å; R412-E483 PolarHBondContact NH1-OE1 2.85Å; R412-E483 IonicContact NH1-OE2 3.78Å; R412-E483 PolarHBondContact NH1-OE2 3.21Å; R412-E483 IonicContact NH2-OE1 3.58Å; R412-E483 IonicContact NH2-OE2 2.68Å; R412-E483 PolarHBondContact NH2-OE2 2.71Å; E480-E483 PolarHBondContact O-N 2.94Å; V481-E483 VanDerWaalsContact C-N 3.27Å; V481-E483 PolarHBondContact O-N 2.6Å; E483-D485 VanDerWaalsContact C-N 3.25Å; E483-D485 WeakPolarHBondContact CB-OD2 3.43Å; E483-D485 PolarHBondContact O-N 3.28Å; E483-S715 WeakPolarHBondContact OE1-CB 3.33Å; E483-S715 PolarHBondContact OE1-OG 2.96Å
484R88.1Confident91.4Very high21 Ų2110.5 Ų10.58%0.0795%0.053CC..  trans5638.5170.7-57.6-64.3-55.7-64.4-9.8113.5V481 H482 D489 P788 E789 Q819V481-R484 WeakPolarHBondContact O-CD 3.44Å; H482-R484 VanDerWaalsContact C-N 3.34Å; R484-D489 WeakPolarHBondContact CD-OD1 3.3Å; R484-D489 IonicContact CZ-OD1 3.51Å; R484-D489 IonicContact CZ-OD2 3.52Å; R484-D489 IonicContact NE-OD1 3.09Å; R484-D489 PolarHBondContact NE-OD1 2.71Å; R484-D489 IonicContact NE-OD2 2.73Å; R484-D489 PolarHBondContact NE-OD2 3.45Å; R484-D489 IonicContact NH2-OD1 3.31Å; R484-D489 IonicContact NH2-OD2 3.72Å; R484-D489 PolarHBondContact NH2-OD2 3.5Å; R484-P788 HydrophobicContact CB-CB 3.98Å; R484-P788 HydrophobicContact CB-CG 4.29Å; R484-E789 PolarHBondContact O-N 2.86Å; R484-Q819 VanDerWaalsContact NH2-OE1 3.07Å
485D87Confident91.3Very high35 Ų3510 Ų1019%0.1875%0.049CC..  trans-64.3152.2168.8-50-69.7000110.9E483 D487 T488 D489E483-D485 VanDerWaalsContact C-N 3.25Å; E483-D485 WeakPolarHBondContact CB-OD2 3.43Å; E483-D485 PolarHBondContact O-N 3.28Å; D485-D487 PolarHBondContact O-N 3.28Å; D485-T488 PolarHBondContact O-N 2.83Å; D485-T488 VanDerWaalsContact O-N 3.09Å; D485-D489 PolarHBondContact O-N 2.9Å
486V88.4Confident91Very high10 Ų1012 Ų126%0.0616%0.057CC..Hα-helixtrans-55.4-44-177.9-162.40000111.4T488 D489 F490 E789 M790 L795 T798V486-T488 VanDerWaalsContact C-N 3.3Å; V486-T488 PolarHBondContact O-N 3.43Å; V486-D489 PolarHBondContact O-N 3.17Å; V486-F490 VanDerWaalsContact O-CB 3.26Å; V486-F490 WeakPolarHBondContact O-CB 3.41Å; V486-F490 PolarHBondContact O-N 3.16Å; V486-E789 HydrophobicContact CG2-CB 3.8Å; V486-E789 HydrophobicContact CG2-CG 3.61Å; V486-M790 HydrophobicContact CG1-CB 4.26Å; V486-M790 HydrophobicContact CG1-CE 3.72Å; V486-M790 HydrophobicContact CG1-CG 4.2Å; V486-M790 WeakPolarHBondContact O-CE 3.46Å; V486-L795 HydrophobicContact CG1-CD2 4.12Å; V486-T798 HydrophobicContact CG1-CG2 4.22Å; V486-T798 WeakPolarHBondContact CG1-OG1 3.15Å
487D88.1Confident90.8Very high41 Ų4114.3 Ų14.322%0.2197%0.069CC..Hα-helixtrans-62-36.3-178.3-64.8-4.2000112.4P457 F458 D485 L491P457-D487 HydrophobicContact CB-CB 4.29Å; P457-D487 HydrophobicContact CG-CB 3.82Å; F458-D487 HydrophobicContact CB-CB 3.81Å; F458-D487 WeakPolarHBondContact CB-OD2 3.39Å; F458-D487 HydrophobicContact CG-CB 4.37Å; D485-D487 PolarHBondContact O-N 3.28Å; D487-L491 WeakPolarHBondContact O-CB 3.2Å; D487-L491 PolarHBondContact O-N 3.38Å; D487-L491 VanDerWaalsContact O-N 3.15Å
488T90.1Very high90.4Very high6 Ų614.5 Ų14.54%0.0377%0.07CC..Hα-helixtrans-76-49.1179.8-59.50000110.4V478 D485 V486 F490 L491 L492V478-T488 HydrophobicContact CG1-CG2 3.99Å; D485-T488 PolarHBondContact O-N 2.83Å; D485-T488 VanDerWaalsContact O-N 3.09Å; V486-T488 VanDerWaalsContact C-N 3.3Å; V486-T488 PolarHBondContact O-N 3.43Å; T488-F490 VanDerWaalsContact C-N 3.29Å; T488-F490 PolarHBondContact O-N 3.3Å; T488-L491 WeakPolarHBondContact O-CB 3.45Å; T488-L491 PolarHBondContact O-N 3.48Å; T488-L491 VanDerWaalsContact O-N 3.16Å; T488-L492 HydrophobicContact CG2-CD1 4.47Å; T488-L492 WeakPolarHBondContact O-CG 3.29Å; T488-L492 PolarHBondContact O-N 3.46Å
489D91.8Very high90.3Very high1 Ų115.6 Ų15.61%0.0058%0.076CC..Hα-helixtrans-61.7-37.2177.2-87.931000111.8R484 D485 V486 L492 I493 M790R484-D489 WeakPolarHBondContact CD-OD1 3.3Å; R484-D489 IonicContact CZ-OD1 3.51Å; R484-D489 IonicContact CZ-OD2 3.52Å; R484-D489 IonicContact NE-OD1 3.09Å; R484-D489 PolarHBondContact NE-OD1 2.71Å; R484-D489 IonicContact NE-OD2 2.73Å; R484-D489 PolarHBondContact NE-OD2 3.45Å; R484-D489 IonicContact NH2-OD1 3.31Å; R484-D489 IonicContact NH2-OD2 3.72Å; R484-D489 PolarHBondContact NH2-OD2 3.5Å; D485-D489 PolarHBondContact O-N 2.9Å; V486-D489 PolarHBondContact O-N 3.17Å; D489-L492 PolarHBondContact O-N 2.67Å; D489-I493 WeakPolarHBondContact O-CG1 3.22Å; D489-I493 PolarHBondContact O-N 3.39Å; D489-M790 HydrophobicContact CB-CE 3.7Å; D489-M790 HydrophobicContact CB-SD 4.47Å
490F91.7Very high90Very high2 Ų219.8 Ų19.81%0.00911%0.111CC..Hα-helixtrans-61.9-46.6172.5179.8-88.6000112.3F458 V486 T488 L492 I493 I494 M790 T798 A801 V802 L805 L807 F813F458-F490 HydrophobicContact CD2-CD1 4.42Å; F458-F490 AromaticContact CE2-CD1 3.41Å; F458-F490 HydrophobicContact CE2-CD1 3.41Å; F458-F490 VanDerWaalsContact CE2-CD1 3.41Å; F458-F490 AromaticContact CE2-CE1 3.41Å; F458-F490 HydrophobicContact CE2-CE1 3.41Å; F458-F490 VanDerWaalsContact CE2-CE1 3.41Å; F458-F490 HydrophobicContact CE2-CG 4.3Å; F458-F490 HydrophobicContact CE2-CZ 4.3Å; F458-F490 AromaticContact CZ-CD1 3.74Å; F458-F490 HydrophobicContact CZ-CD1 3.74Å; F458-F490 AromaticContact CZ-CE1 3.57Å; F458-F490 HydrophobicContact CZ-CE1 3.57Å; F458-F490 HydrophobicContact CZ-CG 4.31Å; F458-F490 HydrophobicContact CZ-CZ 4Å; V486-F490 VanDerWaalsContact O-CB 3.26Å; V486-F490 WeakPolarHBondContact O-CB 3.41Å; V486-F490 PolarHBondContact O-N 3.16Å; T488-F490 VanDerWaalsContact C-N 3.29Å; T488-F490 PolarHBondContact O-N 3.3Å; F490-L492 VanDerWaalsContact C-N 3.31Å; F490-L492 PolarHBondContact O-N 3.48Å; F490-I493 PolarHBondContact O-N 2.94Å; F490-I494 HydrophobicContact CD1-CD1 4.01Å; F490-I494 HydrophobicContact CE1-CD1 3.37Å; F490-I494 HydrophobicContact CE1-CG1 4.33Å; F490-I494 HydrophobicContact CZ-CD1 3.93Å; F490-I494 PolarHBondContact O-N 3.06Å; F490-M790 HydrophobicContact CB-CE 4.37Å; F490-T798 HydrophobicContact CB-CG2 4.38Å; F490-T798 HydrophobicContact CD2-CG2 3.37Å; F490-T798 HydrophobicContact CE2-CG2 3.91Å; F490-T798 HydrophobicContact CG-CG2 4.16Å; F490-A801 HydrophobicContact CZ-CB 4.06Å; F490-V802 HydrophobicContact CE2-CG2 3.78Å; F490-L805 HydrophobicContact CE1-CD1 4.27Å; F490-L805 HydrophobicContact CZ-CD1 4.34Å; F490-L807 HydrophobicContact CZ-CD1 4.37Å; F490-F813 AromaticContact CD2-CE1 3.67Å; F490-F813 HydrophobicContact CD2-CE1 3.67Å; F490-F813 HydrophobicContact CD2-CZ 4.46Å; F490-F813 HydrophobicContact CE2-CD1 4.25Å; F490-F813 AromaticContact CE2-CE1 3.54Å; F490-F813 HydrophobicContact CE2-CE1 3.54Å; F490-F813 HydrophobicContact CE2-CZ 4.22Å; F490-F813 HydrophobicContact CG-CE1 4.49Å; F490-F813 HydrophobicContact CZ-CE1 4.25Å
491L91.8Very high90Very high4 Ų423.7 Ų23.72%0.02113%0.131CC..Hα-helixtrans-60.5-40177.2175.660.5000111.7T409 P457 L462 M466 V478 D487 T488 I493 I494 L495T409-L491 HydrophobicContact CG2-CD2 3.81Å; P457-L491 HydrophobicContact CB-CD2 4.02Å; L462-L491 HydrophobicContact CD2-CD1 3.94Å; L462-L491 HydrophobicContact CD2-CD2 3.83Å; M466-L491 HydrophobicContact CE-CD1 3.45Å; M466-L491 VanDerWaalsContact CE-CD1 3.45Å; M466-L491 HydrophobicContact SD-CD1 4.31Å; V478-L491 HydrophobicContact CG1-CD2 4.48Å; V478-L491 HydrophobicContact CG2-CD2 4.24Å; D487-L491 WeakPolarHBondContact O-CB 3.2Å; D487-L491 PolarHBondContact O-N 3.38Å; D487-L491 VanDerWaalsContact O-N 3.15Å; T488-L491 WeakPolarHBondContact O-CB 3.45Å; T488-L491 PolarHBondContact O-N 3.48Å; T488-L491 VanDerWaalsContact O-N 3.16Å; L491-I493 VanDerWaalsContact C-N 3.3Å; L491-I493 PolarHBondContact O-N 3.2Å; L491-I494 PolarHBondContact O-N 2.93Å; L491-L495 HydrophobicContact CD1-CD1 3.98Å; L491-L495 HydrophobicContact CD1-CD2 4.3Å; L491-L495 HydrophobicContact CD1-CG 3.85Å; L491-L495 HydrophobicContact CD2-CD1 4.37Å; L491-L495 HydrophobicContact CG-CD1 3.82Å; L491-L495 HydrophobicContact CG-CG 4.14Å; L491-L495 WeakPolarHBondContact O-CG 3.4Å; L491-L495 PolarHBondContact O-N 3.41Å
492L92.9Very high90.1Very high1 Ų126.1 Ų26.11%0.00514%0.141CC..Hα-helixtrans-63-33.2178.7-66.7173.9000112.9V478 T488 D489 F490 R496 L509 F519 Y522 F523V478-L492 HydrophobicContact CG2-CD2 4.38Å; T488-L492 HydrophobicContact CG2-CD1 4.47Å; T488-L492 WeakPolarHBondContact O-CG 3.29Å; T488-L492 PolarHBondContact O-N 3.46Å; D489-L492 PolarHBondContact O-N 2.67Å; F490-L492 VanDerWaalsContact C-N 3.31Å; F490-L492 PolarHBondContact O-N 3.48Å; L492-R496 WeakPolarHBondContact O-CB 3.37Å; L492-R496 PolarHBondContact O-N 3.32Å; L492-L509 HydrophobicContact CD2-CD2 3.58Å; L492-F519 HydrophobicContact CD1-CE1 4.05Å; L492-Y522 HydrophobicContact CB-CE1 4.17Å; L492-F523 HydrophobicContact CB-CZ 4.42Å; L492-F523 HydrophobicContact CD2-CE2 4.04Å; L492-F523 HydrophobicContact CD2-CZ 3.9Å
493I93.1Very high90.2Very high0 Ų028.6 Ų28.60%016%0.159CC..Hα-helixtrans-62.4-49.6172.9-57.3161.6000110.2D489 F490 L491 R496 D497 Y522 F813 K816 A817D489-I493 WeakPolarHBondContact O-CG1 3.22Å; D489-I493 PolarHBondContact O-N 3.39Å; F490-I493 PolarHBondContact O-N 2.94Å; L491-I493 VanDerWaalsContact C-N 3.3Å; L491-I493 PolarHBondContact O-N 3.2Å; I493-R496 PolarHBondContact O-N 2.86Å; I493-D497 WeakPolarHBondContact O-CB 3.14Å; I493-D497 PolarHBondContact O-N 3.23Å; I493-D497 VanDerWaalsContact O-N 3.08Å; I493-Y522 WeakPolarHBondContact CA-OH 3.29Å; I493-Y522 VanDerWaalsContact CG1-OH 3.29Å; I493-Y522 WeakPolarHBondContact CG1-OH 3.21Å; I493-F813 HydrophobicContact CB-CE1 4.11Å; I493-F813 HydrophobicContact CB-CE2 4.28Å; I493-F813 HydrophobicContact CB-CZ 3.67Å; I493-F813 HydrophobicContact CD1-CD1 4.19Å; I493-F813 HydrophobicContact CD1-CE1 3.65Å; I493-F813 HydrophobicContact CD1-CZ 4.14Å; I493-F813 HydrophobicContact CG2-CD2 4.12Å; I493-F813 HydrophobicContact CG2-CE1 3.93Å; I493-F813 HydrophobicContact CG2-CE2 3.46Å; I493-F813 VanDerWaalsContact CG2-CE2 3.46Å; I493-F813 HydrophobicContact CG2-CZ 3.35Å; I493-K816 HydrophobicContact CG2-CB 3.95Å; I493-K816 HydrophobicContact CG2-CD 4.07Å; I493-A817 HydrophobicContact CD1-CB 3.87Å; I493-A817 HydrophobicContact CG1-CB 4.37Å
494I91.3Very high90.6Very high5 Ų531.9 Ų31.93%0.02618%0.178CC..Hα-helixtrans-65.5-43.2-178.3-56.9-178.6000110.6V297 M466 F490 L491 D497 L498 L805 L807 F813V297-I494 HydrophobicContact CG2-CG2 4.17Å; M466-I494 HydrophobicContact CE-CB 3.99Å; M466-I494 HydrophobicContact CE-CD1 4.34Å; M466-I494 HydrophobicContact CE-CG2 3.54Å; M466-I494 HydrophobicContact SD-CB 4.5Å; M466-I494 HydrophobicContact SD-CD1 3.71Å; M466-I494 HydrophobicContact SD-CG2 4.09Å; F490-I494 HydrophobicContact CD1-CD1 4.01Å; F490-I494 HydrophobicContact CE1-CD1 3.37Å; F490-I494 HydrophobicContact CE1-CG1 4.33Å; F490-I494 HydrophobicContact CZ-CD1 3.93Å; F490-I494 PolarHBondContact O-N 3.06Å; L491-I494 PolarHBondContact O-N 2.93Å; I494-D497 PolarHBondContact O-N 3.45Å; I494-L498 HydrophobicContact CG2-CD1 3.8Å; I494-L498 HydrophobicContact CG2-CG 4.16Å; I494-L498 WeakPolarHBondContact O-CB 3.43Å; I494-L498 VanDerWaalsContact O-CG 3.31Å; I494-L498 WeakPolarHBondContact O-CG 3.39Å; I494-L498 PolarHBondContact O-N 2.88Å; I494-L805 HydrophobicContact CD1-CD1 3.59Å; I494-L807 HydrophobicContact CD1-CD1 3.69Å; I494-L807 HydrophobicContact CG1-CD1 3.99Å; I494-F813 HydrophobicContact CD1-CZ 4.44Å; I494-F813 HydrophobicContact CG1-CE2 4.24Å; I494-F813 HydrophobicContact CG1-CZ 3.72Å
495L92.2Very high90.9Very high0 Ų030.9 Ų30.90%017%0.174CC..Hα-helixtrans-63.9-43.7179.6-69.4179.2000111.9I476 V478 L491 D497 L498 L499 V507I476-L495 HydrophobicContact CB-CD2 4.47Å; I476-L495 HydrophobicContact CD1-CD2 3.73Å; I476-L495 HydrophobicContact CG2-CD1 4Å; I476-L495 HydrophobicContact CG2-CD2 4.18Å; V478-L495 HydrophobicContact CG2-CD1 3.59Å; L491-L495 HydrophobicContact CD1-CD1 3.98Å; L491-L495 HydrophobicContact CD1-CD2 4.3Å; L491-L495 HydrophobicContact CD1-CG 3.85Å; L491-L495 HydrophobicContact CD2-CD1 4.37Å; L491-L495 HydrophobicContact CG-CD1 3.82Å; L491-L495 HydrophobicContact CG-CG 4.14Å; L491-L495 WeakPolarHBondContact O-CG 3.4Å; L491-L495 PolarHBondContact O-N 3.41Å; L495-D497 PolarHBondContact O-N 3.23Å; L495-L498 PolarHBondContact O-N 3.12Å; L495-L499 WeakPolarHBondContact O-CG 3.32Å; L495-L499 PolarHBondContact O-N 2.93Å; L495-V507 HydrophobicContact CB-CG2 4.21Å; L495-V507 HydrophobicContact CD1-CG1 4.05Å; L495-V507 HydrophobicContact CD1-CG2 4.34Å; L495-V507 HydrophobicContact CD2-CG2 4.16Å; L495-V507 HydrophobicContact CG-CG2 4.47Å
496R92.4Very high91.3Very high48 Ų4831.5 Ų31.518%0.18117%0.174CC..Hα-helixtrans-61-45.3175.6-173.2-157.761.7-137.1-21111.6L492 I493 L498 L499 A500 Y522 F523 K816L492-R496 WeakPolarHBondContact O-CB 3.37Å; L492-R496 PolarHBondContact O-N 3.32Å; I493-R496 PolarHBondContact O-N 2.86Å; R496-L498 VanDerWaalsContact C-N 3.32Å; R496-L498 PolarHBondContact O-N 3.23Å; R496-L499 PolarHBondContact O-N 3.15Å; R496-A500 PolarHBondContact O-N 3.08Å; R496-Y522 HydrophobicContact CB-CE1 4.25Å; R496-Y522 WeakPolarHBondContact CD-O 3.46Å; R496-Y522 PolarHBondContact NH1-OH 3.42Å; R496-Y522 VanDerWaalsContact NH1-OH 3.12Å; R496-F523 HydrophobicContact CB-CD1 4.13Å; R496-F523 HydrophobicContact CB-CE1 3.7Å; R496-F523 HydrophobicContact CB-CZ 4.26Å; R496-F523 HydrophobicContact CG-CD1 4.18Å; R496-F523 HydrophobicContact CG-CE1 4.27Å; R496-K816 PolarHBondContact NH1-O 3.49Å
497D90.6Very high91.7Very high48 Ų4831.1 Ų31.126%0.25717%0.171SC..Hα-helixtrans-69.2-29.8180-73.217.3000112I493 I494 L495 K816I493-D497 WeakPolarHBondContact O-CB 3.14Å; I493-D497 PolarHBondContact O-N 3.23Å; I493-D497 VanDerWaalsContact O-N 3.08Å; I494-D497 PolarHBondContact O-N 3.45Å; L495-D497 PolarHBondContact O-N 3.23Å; D497-K816 IonicContact OD2-NZ 2.69Å; D497-K816 PolarHBondContact OD2-NZ 2.99Å
498L90.1Very high92.2Very high6 Ų629.2 Ų29.23%0.03116%0.161CC..Hα-helixtrans-72.2-40.3173.2-79.7173.4000113.4V297 L470 I494 L495 R496 A500 I501 Y502 L505V297-L498 HydrophobicContact CB-CD1 4.14Å; V297-L498 HydrophobicContact CB-CD2 4.08Å; V297-L498 HydrophobicContact CG1-CD1 4.14Å; V297-L498 WeakPolarHBondContact O-CD2 3.38Å; L470-L498 HydrophobicContact CD1-CD1 3.94Å; I494-L498 HydrophobicContact CG2-CD1 3.8Å; I494-L498 HydrophobicContact CG2-CG 4.16Å; I494-L498 WeakPolarHBondContact O-CB 3.43Å; I494-L498 VanDerWaalsContact O-CG 3.31Å; I494-L498 WeakPolarHBondContact O-CG 3.39Å; I494-L498 PolarHBondContact O-N 2.88Å; L495-L498 PolarHBondContact O-N 3.12Å; R496-L498 VanDerWaalsContact C-N 3.32Å; R496-L498 PolarHBondContact O-N 3.23Å; L498-A500 PolarHBondContact O-N 2.86Å; L498-I501 PolarHBondContact O-N 3.41Å; L498-Y502 HydrophobicContact CD2-CD2 3.78Å; L498-Y502 HydrophobicContact CD2-CE2 3.8Å; L498-Y502 PolarHBondContact O-N 3.1Å; L498-L505 HydrophobicContact CB-CD2 4.49Å
499L91.5Very high92.5Very high22 Ų2228.9 Ų28.912%0.11516%0.159CC..Hα-helixtrans-61.6-28.8178.6-73.2-176.6000112.7A372 L495 R496 I501 L505 V507 F523A372-L499 HydrophobicContact CB-CD1 3.83Å; L495-L499 WeakPolarHBondContact O-CG 3.32Å; L495-L499 PolarHBondContact O-N 2.93Å; R496-L499 PolarHBondContact O-N 3.15Å; L499-I501 PolarHBondContact O-N 2.86Å; L499-L505 HydrophobicContact CD2-CB 4.19Å; L499-L505 HydrophobicContact CD2-CD2 4.42Å; L499-L505 HydrophobicContact CD2-CG 4.18Å; L499-L505 WeakPolarHBondContact CD2-O 3.31Å; L499-V507 HydrophobicContact CD1-CB 4.09Å; L499-V507 HydrophobicContact CD1-CG2 3.98Å; L499-V507 HydrophobicContact CD2-CG2 3.89Å; L499-V507 HydrophobicContact CG-CG2 4.03Å; L499-F523 HydrophobicContact CD1-CD1 4.27Å; L499-F523 HydrophobicContact CD1-CE1 4.37Å
500A88.4Confident92.6Very high91 Ų9129 Ų2975%0.75216%0.16SC*.THydrogen-bonded Turntrans-70.2-17.6173.800000113.8R496 L498R496-A500 PolarHBondContact O-N 3.08Å; L498-A500 PolarHBondContact O-N 2.86Å
501I89.8Confident92.5Very high92 Ų9228.9 Ų28.947%0.47216%0.159SC..THydrogen-bonded Turntrans-103.3-37.1178.8-57.5170.9000110.7L498 L499L498-I501 PolarHBondContact O-N 3.41Å; L499-I501 PolarHBondContact O-N 2.86Å
502Y91.8Very high92Very high51 Ų5129 Ų2920%0.216%0.161CC..  trans-127.377.6-171-58.8-65.4000110.7W299 L498 D504 L505W299-Y502 HydrophobicContact CB-CD1 4.2Å; W299-Y502 HydrophobicContact CB-CD2 3.63Å; W299-Y502 HydrophobicContact CB-CE1 4.22Å; W299-Y502 HydrophobicContact CB-CE2 3.64Å; W299-Y502 HydrophobicContact CB-CG 3.89Å; W299-Y502 HydrophobicContact CD2-CD1 4.49Å; W299-Y502 HydrophobicContact CD2-CG 4.3Å; W299-Y502 AromaticContact CE3-CD1 3.68Å; W299-Y502 HydrophobicContact CE3-CD1 3.68Å; W299-Y502 HydrophobicContact CE3-CE1 4.42Å; W299-Y502 AromaticContact CE3-CG 3.82Å; W299-Y502 HydrophobicContact CE3-CG 3.82Å; W299-Y502 HydrophobicContact CG-CD2 4.45Å; W299-Y502 HydrophobicContact CG-CG 4.37Å; W299-Y502 PolarHBondContact N-OH 2.88Å; L498-Y502 HydrophobicContact CD2-CD2 3.78Å; L498-Y502 HydrophobicContact CD2-CE2 3.8Å; L498-Y502 PolarHBondContact O-N 3.1Å; Y502-D504 PolarHBondContact O-N 3.29Å; Y502-L505 WeakPolarHBondContact O-CB 3.19Å; Y502-L505 PolarHBondContact O-N 3.44Å
503P89.7Confident90.9Very high75 Ų7529.6 Ų29.649%0.48717%0.165SC..THydrogen-bonded Turntrans-67-17.3-174.327.4-36000114.1S371S371-P503 WeakPolarHBondContact CB-O 3.43Å; S371-P503 PolarHBondContact OG-O 3.08Å
504D92.3Very high89.8Confident110 Ų11030.7 Ų30.759%0.58817%0.171SC*.THydrogen-bonded Turntrans-73.5-26.6176.1-70.5-44.2000113.5W299 Y502 R506W299-D504 HydrophobicContact CH2-CB 3.63Å; W299-D504 HydrophobicContact CZ3-CB 3.97Å; Y502-D504 PolarHBondContact O-N 3.29Å; D504-R506 PolarHBondContact O-NE 2.84Å
505L93.8Very high89.1Confident0 Ų033.8 Ų33.80%019%0.188CC..SBendtrans-63.8134.5175.2171.661.8000109.8W299 I476 L498 L499 Y502W299-L505 HydrophobicContact CD2-CB 4.32Å; W299-L505 HydrophobicContact CZ2-CB 4.12Å; I476-L505 HydrophobicContact CD1-CD1 4.17Å; I476-L505 HydrophobicContact CD1-CD2 4.47Å; I476-L505 HydrophobicContact CG1-CD1 4.24Å; L498-L505 HydrophobicContact CB-CD2 4.49Å; L499-L505 HydrophobicContact CD2-CB 4.19Å; L499-L505 HydrophobicContact CD2-CD2 4.42Å; L499-L505 HydrophobicContact CD2-CG 4.18Å; L499-L505 WeakPolarHBondContact CD2-O 3.31Å; Y502-L505 WeakPolarHBondContact O-CB 3.19Å; Y502-L505 PolarHBondContact O-N 3.44Å
506R96.2Very high88.7Confident49 Ų4935.1 Ų35.119%0.18520%0.196CC..EExtended strand (participates in β ladder)trans-108.4117.5-178.7-53.6-53.9165.2131.8-5.6111.8V367 N368 N370 S474 H475 I476 D504 I508V367-R506 HydrophobicContact CG1-CB 4.31Å; V367-R506 PolarHBondContact O-NH1 3.02Å; V367-R506 VanDerWaalsContact O-NH1 3.09Å; N368-R506 VanDerWaalsContact C-NH1 3.31Å; N368-R506 PolarHBondContact O-NH1 3.28Å; N370-R506 WeakPolarHBondContact O-CD 2.94Å; N370-R506 PolarHBondContact O-NH1 2.91Å; N370-R506 VanDerWaalsContact O-NH1 3.14Å; S474-R506 PolarHBondContact O-N 2.85Å; H475-R506 CarbonylContact C-O 3.53Å; H475-R506 VanDerWaalsContact CA-O 3.32Å; H475-R506 WeakPolarHBondContact CA-O 3.03Å; H475-R506 VanDerWaalsContact CD2-CB 3.46Å; H475-R506 WeakPolarHBondContact CD2-CB 3.3Å; I476-R506 PolarHBondContact N-O 2.92Å; D504-R506 PolarHBondContact O-NE 2.84Å; R506-I508 HydrophobicContact CB-CD1 4.34Å
507V96.4Very high88.4Confident1 Ų135.7 Ų35.71%0.00621%0.207CC..EExtended strand (participates in β ladder)trans-104.8126.3175.21760000109.6S371 A372 T373 I476 L495 L499 L509S371-V507 PolarHBondContact O-N 3.21Å; A372-V507 WeakPolarHBondContact CA-O 3.42Å; T373-V507 PolarHBondContact N-O 3.15Å; I476-V507 WeakPolarHBondContact O-CA 3.49Å; L495-V507 HydrophobicContact CB-CG2 4.21Å; L495-V507 HydrophobicContact CD1-CG1 4.05Å; L495-V507 HydrophobicContact CD1-CG2 4.34Å; L495-V507 HydrophobicContact CD2-CG2 4.16Å; L495-V507 HydrophobicContact CG-CG2 4.47Å; L499-V507 HydrophobicContact CD1-CB 4.09Å; L499-V507 HydrophobicContact CD1-CG2 3.98Å; L499-V507 HydrophobicContact CD2-CG2 3.89Å; L499-V507 HydrophobicContact CG-CG2 4.03Å; V507-L509 HydrophobicContact CG1-CD2 3.81Å; V507-L509 HydrophobicContact CG1-CG 4.39Å
508I97.6Very high88.3Confident1 Ų136 Ų361%0.00521%0.209CC..EExtended strand (participates in β ladder)trans-119.1117.7178.6-55.990000108.3V367 T373 V375 V387 I391 H475 I476 I477 V478 R506 M510V367-I508 HydrophobicContact CG1-CD1 4.05Å; V367-I508 HydrophobicContact CG1-CG1 4.17Å; V367-I508 HydrophobicContact CG2-CD1 4.41Å; V367-I508 HydrophobicContact CG2-CG1 3.63Å; T373-I508 CarbonylContact O-C 3.55Å; T373-I508 WeakPolarHBondContact O-CA 3.32Å; V375-I508 HydrophobicContact CG2-CG2 3.86Å; V387-I508 HydrophobicContact CG1-CG2 4.35Å; I391-I508 HydrophobicContact CD1-CD1 4.08Å; I391-I508 HydrophobicContact CD1-CG1 4.4Å; H475-I508 HydrophobicContact CB-CD1 4.24Å; I476-I508 PolarHBondContact O-N 3.42Å; I477-I508 CarbonylContact C-O 3.54Å; I477-I508 VanDerWaalsContact CA-O 3.26Å; I477-I508 WeakPolarHBondContact CA-O 3.42Å; I477-I508 HydrophobicContact CB-CB 4.46Å; I477-I508 HydrophobicContact CG1-CB 4.14Å; I477-I508 HydrophobicContact CG1-CD1 4.1Å; I477-I508 HydrophobicContact CG2-CB 4.23Å; I477-I508 HydrophobicContact CG2-CG2 4.39Å; V478-I508 PolarHBondContact N-O 2.82Å; R506-I508 HydrophobicContact CB-CD1 4.34Å; I508-M510 HydrophobicContact CG2-CG 4.06Å
509L96.1Very high88.3Confident0 Ų035.9 Ų35.90%021%0.208CC..EExtended strand (participates in β ladder)trans-97.2129.3177-51.4178.1000107.7T373 L374 V375 V478 V481 L492 V507 F519 F523T373-L509 PolarHBondContact O-N 3.28Å; L374-L509 CarbonylContact C-O 3.42Å; L374-L509 WeakPolarHBondContact CA-O 3.38Å; L374-L509 HydrophobicContact CD1-CB 3.74Å; V375-L509 PolarHBondContact N-O 2.89Å; V478-L509 HydrophobicContact CB-CD2 4.03Å; V478-L509 HydrophobicContact CG2-CD2 4.03Å; V481-L509 HydrophobicContact CG1-CB 4.37Å; L492-L509 HydrophobicContact CD2-CD2 3.58Å; V507-L509 HydrophobicContact CG1-CD2 3.81Å; V507-L509 HydrophobicContact CG1-CG 4.39Å; L509-F519 HydrophobicContact CD1-CD1 4.05Å; L509-F523 HydrophobicContact CD1-CD2 3.66Å; L509-F523 HydrophobicContact CD1-CE2 3.5Å; L509-F523 HydrophobicContact CD1-CG 4.49Å; L509-F523 HydrophobicContact CD1-CZ 4.23Å; L509-F523 HydrophobicContact CD2-CE2 4.43Å; L509-F523 HydrophobicContact CD2-CZ 4.49Å
510M94.5Very high88.3Confident2 Ų237.4 Ų37.41%0.0121%0.214CC..EExtended strand (participates in β ladder)trans-121.4134.3-179.8-55.4-161.4-54.500111.5V375 K383 V387 I477 V478 D479 E480 V481 I508V375-M510 HydrophobicContact CB-CG 4.27Å; V375-M510 WeakPolarHBondContact O-CA 3.35Å; K383-M510 HydrophobicContact CB-CE 4.26Å; K383-M510 HydrophobicContact CB-SD 3.95Å; K383-M510 HydrophobicContact CD-CB 4.2Å; V387-M510 HydrophobicContact CB-SD 3.76Å; V387-M510 HydrophobicContact CG1-SD 3.99Å; V387-M510 HydrophobicContact CG2-SD 3.85Å; I477-M510 HydrophobicContact CG2-CE 3.59Å; I477-M510 HydrophobicContact CG2-CG 3.84Å; I477-M510 HydrophobicContact CG2-SD 3.81Å; V478-M510 PolarHBondContact O-N 2.92Å; D479-M510 HydrophobicContact CB-CE 3.85Å; D479-M510 WeakPolarHBondContact OD1-CB 3.49Å; D479-M510 WeakPolarHBondContact OD1-CE 3.5Å; E480-M510 PolarHBondContact N-O 3.17Å; E480-M510 VanDerWaalsContact N-O 3.13Å; V481-M510 PolarHBondContact N-O 3.18Å; V481-M510 VanDerWaalsContact N-O 3.13Å; I508-M510 HydrophobicContact CG2-CG 4.06Å
511S89.6Confident88.4Confident0 Ų040.3 Ų40.30%021%0.212CC..EExtended strand (participates in β ladder)trans-143.6150.1179.9-165.90000114.1V375 G377 K383 H482 T513 V514V375-S511 PolarHBondContact O-N 3.47Å; G377-S511 PolarHBondContact N-O 3.27Å; G377-S511 VanDerWaalsContact N-O 3.12Å; K383-S511 WeakPolarHBondContact CE-O 3.32Å; K383-S511 PolarHBondContact NZ-O 2.85Å; K383-S511 VanDerWaalsContact NZ-O 3.09Å; H482-S511 WeakPolarHBondContact CE1-CA 3.46Å; H482-S511 WeakPolarHBondContact CE1-CB 3.43Å; H482-S511 PolarHBondContact CE1-OG 3.31Å; H482-S511 PolarHBondContact ND1-OG 3.39Å; S511-T513 PolarHBondContact OG-N 2.95Å; S511-V514 WeakPolarHBondContact OG-CB 3.33Å; S511-V514 WeakPolarHBondContact OG-CG2 3.47Å
512A81.3Confident88.5Confident8 Ų837.1 Ų37.17%0.06620%0.195CC..SBendtrans-87.2-42.2166.600000113.1G377 T379 H482 Q757G377-A512 WeakPolarHBondContact O-CA 3.23Å; T379-A512 HydrophobicContact CG2-CB 3.61Å; H482-A512 PolarHBondContact CE1-N 3.12Å; H482-A512 PolarHBondContact ND1-N 2.88Å; H482-A512 VanDerWaalsContact NE2-CB 3.31Å; H482-A512 WeakPolarHBondContact NE2-CB 3.44Å; H482-A512 PolarHBondContact NE2-N 2.57Å; A512-Q757 HydrophobicContact CB-CG 4.42Å
513T69.4Low88.5Confident13 Ų1335.4 Ų35.48%0.0819%0.188CC..SBendtrans-149.989.3-167.943.40000110.5H482 S511 S753 Q756 Q757H482-T513 WeakPolarHBondContact CB-O 3.41Å; S511-T513 PolarHBondContact OG-N 2.95Å; T513-S753 VanDerWaalsContact CB-OG 3.29Å; T513-S753 WeakPolarHBondContact CB-OG 3.31Å; T513-S753 PolarHBondContact O-OG 2.84Å; T513-S753 PolarHBondContact OG1-OG 2.96Å; T513-Q756 HydrophobicContact CG2-CB 4.21Å; T513-Q756 HydrophobicContact CG2-CG 3.93Å; T513-Q757 PolarHBondContact OG1-NE2 3.35Å
514V70.2Confident88.4Confident22 Ų2239.1 Ų39.113%0.13320%0.204CC..  trans-137.1150.1-176.7125.50000111H482 S511 T516 F519H482-V514 HydrophobicContact CB-CG2 3.79Å; S511-V514 WeakPolarHBondContact OG-CB 3.33Å; S511-V514 WeakPolarHBondContact OG-CG2 3.47Å; V514-T516 HydrophobicContact CG1-CG2 4.4Å; V514-T516 PolarHBondContact O-N 2.8Å; V514-F519 HydrophobicContact CB-CE2 4.37Å; V514-F519 HydrophobicContact CG1-CD2 3.69Å; V514-F519 HydrophobicContact CG1-CE2 3.9Å; V514-F519 HydrophobicContact CG2-CD2 4.14Å; V514-F519 HydrophobicContact CG2-CE2 3.45Å; V514-F519 VanDerWaalsContact CG2-CE2 3.45Å; V514-F519 HydrophobicContact CG2-CZ 4.05Å
515D76.7Confident87.8Confident70 Ų7036.7 Ų36.737%0.37421%0.205SC..  trans-76.1105.5160.8177.9-4.9000107.8S517 L518 Y785D515-S517 PolarHBondContact O-N 3.12Å; D515-S517 WeakPolarHBondContact OD1-CB 3.43Å; D515-S517 PolarHBondContact OD1-N 3.41Å; D515-S517 VanDerWaalsContact OD1-N 3.17Å; D515-S517 PolarHBondContact OD1-OG 3.11Å; D515-S517 PolarHBondContact OD2-OG 2.63Å; D515-L518 PolarHBondContact O-N 3.33Å; D515-Y785 HydrophobicContact CB-CE2 4.04Å; D515-Y785 PolarHBondContact N-OH 3.28Å
516T84.4Confident87.6Confident29 Ų2937.3 Ų37.318%0.17821%0.209CC..Hα-helixtrans-65.5-31.5-172.468.80000111.7L374 V376 V514 L518 F519 E520 T528L374-T516 HydrophobicContact CD2-CG2 4.07Å; V376-T516 HydrophobicContact CG2-CG2 3.78Å; V514-T516 HydrophobicContact CG1-CG2 4.4Å; V514-T516 PolarHBondContact O-N 2.8Å; T516-L518 PolarHBondContact O-N 3.36Å; T516-F519 PolarHBondContact O-N 2.97Å; T516-E520 WeakPolarHBondContact CB-OE1 3.28Å; T516-E520 WeakPolarHBondContact O-CB 3.36Å; T516-E520 VanDerWaalsContact O-CG 3.27Å; T516-E520 WeakPolarHBondContact O-CG 3.26Å; T516-E520 PolarHBondContact O-N 3.18Å; T516-E520 PolarHBondContact OG1-OE1 3.25Å; T516-T528 HydrophobicContact CG2-CG2 4.28Å
517S86.5Confident87.4Confident59 Ų5936.1 Ų36.141%0.41321%0.21SC..Hα-helixtrans-58.7-35.6-177.8730000112.5D515 Q521D515-S517 PolarHBondContact O-N 3.12Å; D515-S517 WeakPolarHBondContact OD1-CB 3.43Å; D515-S517 PolarHBondContact OD1-N 3.41Å; D515-S517 VanDerWaalsContact OD1-N 3.17Å; D515-S517 PolarHBondContact OD1-OG 3.11Å; D515-S517 PolarHBondContact OD2-OG 2.63Å; S517-Q521 WeakPolarHBondContact O-CB 3.45Å; S517-Q521 PolarHBondContact O-N 2.93Å
518L88.4Confident87.3Confident55 Ų5538 Ų3829%0.28822%0.222SC..Hα-helixtrans-63.6-42.3177.8-170.273.9000112D515 T516 Y522 M818D515-L518 PolarHBondContact O-N 3.33Å; T516-L518 PolarHBondContact O-N 3.36Å; L518-Y522 VanDerWaalsContact O-CB 3.26Å; L518-Y522 WeakPolarHBondContact O-CB 3.39Å; L518-Y522 PolarHBondContact O-N 2.85Å; L518-Y522 VanDerWaalsContact O-N 3.1Å; L518-M818 HydrophobicContact CD1-CG 4.28Å; L518-M818 HydrophobicContact CD2-CE 3.77Å; L518-M818 HydrophobicContact CD2-CG 4.13Å; L518-M818 HydrophobicContact CD2-SD 3.88Å; L518-M818 HydrophobicContact CG-CE 4.33Å; L518-M818 HydrophobicContact CG-CG 3.9Å; L518-M818 HydrophobicContact CG-SD 3.75Å
519F90.4Very high87.1Confident3 Ų338.7 Ų38.71%0.01323%0.226CC..Hα-helixtrans-81.2-38-179.3-73.8-97.9000112L374 V481 L492 L509 V514 T516 Y522 F523 M818L374-F519 HydrophobicContact CD2-CB 4.07Å; V481-F519 HydrophobicContact CB-CE1 3.87Å; V481-F519 HydrophobicContact CB-CZ 4.09Å; V481-F519 HydrophobicContact CG2-CD1 4.31Å; V481-F519 HydrophobicContact CG2-CE1 3.59Å; V481-F519 HydrophobicContact CG2-CE2 4.5Å; V481-F519 HydrophobicContact CG2-CZ 3.68Å; L492-F519 HydrophobicContact CD1-CE1 4.05Å; L509-F519 HydrophobicContact CD1-CD1 4.05Å; V514-F519 HydrophobicContact CB-CE2 4.37Å; V514-F519 HydrophobicContact CG1-CD2 3.69Å; V514-F519 HydrophobicContact CG1-CE2 3.9Å; V514-F519 HydrophobicContact CG2-CD2 4.14Å; V514-F519 HydrophobicContact CG2-CE2 3.45Å; V514-F519 VanDerWaalsContact CG2-CE2 3.45Å; V514-F519 HydrophobicContact CG2-CZ 4.05Å; T516-F519 PolarHBondContact O-N 2.97Å; F519-Y522 PolarHBondContact O-N 3.41Å; F519-F523 PolarHBondContact O-N 3Å; F519-M818 HydrophobicContact CD1-CE 4.4Å; F519-M818 HydrophobicContact CD1-SD 4.17Å; F519-M818 HydrophobicContact CD2-CE 4.43Å; F519-M818 HydrophobicContact CD2-SD 4.34Å; F519-M818 HydrophobicContact CE1-CE 3.85Å; F519-M818 HydrophobicContact CE1-SD 4.21Å; F519-M818 HydrophobicContact CE2-CE 3.84Å; F519-M818 HydrophobicContact CE2-SD 4.33Å; F519-M818 HydrophobicContact CG-SD 4.27Å; F519-M818 HydrophobicContact CZ-CE 3.56Å; F519-M818 HydrophobicContact CZ-SD 4.31Å
520E90.7Very high86.9Confident54 Ų5443.6 Ų43.625%0.25225%0.249SC..Hα-helixtrans-57.6-50.2171.8-73161.8-165.900110.1T516 F523 N524 G525 T528T516-E520 WeakPolarHBondContact CB-OE1 3.28Å; T516-E520 WeakPolarHBondContact O-CB 3.36Å; T516-E520 VanDerWaalsContact O-CG 3.27Å; T516-E520 WeakPolarHBondContact O-CG 3.26Å; T516-E520 PolarHBondContact O-N 3.18Å; T516-E520 PolarHBondContact OG1-OE1 3.25Å; E520-F523 CarbonylContact O-C 3.6Å; E520-F523 PolarHBondContact O-N 2.82Å; E520-N524 PolarHBondContact O-N 2.95Å; E520-G525 PolarHBondContact O-N 3.2Å; E520-T528 WeakPolarHBondContact CG-OG1 3.45Å; E520-T528 WeakPolarHBondContact OE1-CB 3.45Å; E520-T528 PolarHBondContact OE1-OG1 2.81Å
521Q90.8Very high86.7Confident152 Ų15244 Ų4471%0.7125%0.251SS*.Hα-helixtrans-62.7-43.9176.4-172.7177.611.200112.1S517 F523 N524S517-Q521 WeakPolarHBondContact O-CB 3.45Å; S517-Q521 PolarHBondContact O-N 2.93Å; Q521-F523 VanDerWaalsContact C-N 3.29Å; Q521-F523 PolarHBondContact O-N 3.12Å; Q521-N524 PolarHBondContact O-N 3.2Å
522Y92.6Very high86.2Confident25 Ų2551.5 Ų51.510%0.09829%0.286CS..Hα-helixtrans-65.3-29.2-178.2-171.4-95.7000113.8L492 I493 R496 L518 F519 K816 M818L492-Y522 HydrophobicContact CB-CE1 4.17Å; I493-Y522 WeakPolarHBondContact CA-OH 3.29Å; I493-Y522 VanDerWaalsContact CG1-OH 3.29Å; I493-Y522 WeakPolarHBondContact CG1-OH 3.21Å; R496-Y522 HydrophobicContact CB-CE1 4.25Å; R496-Y522 WeakPolarHBondContact CD-O 3.46Å; R496-Y522 PolarHBondContact NH1-OH 3.42Å; R496-Y522 VanDerWaalsContact NH1-OH 3.12Å; L518-Y522 VanDerWaalsContact O-CB 3.26Å; L518-Y522 WeakPolarHBondContact O-CB 3.39Å; L518-Y522 PolarHBondContact O-N 2.85Å; L518-Y522 VanDerWaalsContact O-N 3.1Å; F519-Y522 PolarHBondContact O-N 3.41Å; Y522-K816 VanDerWaalsContact CE2-O 3.28Å; Y522-K816 WeakPolarHBondContact CE2-O 3.46Å; Y522-K816 PolarHBondContact OH-O 2.81Å; Y522-M818 HydrophobicContact CD2-CB 3.68Å; Y522-M818 HydrophobicContact CD2-CG 3.72Å; Y522-M818 HydrophobicContact CD2-SD 4.42Å; Y522-M818 VanDerWaalsContact CE2-CA 3.45Å; Y522-M818 HydrophobicContact CE2-CB 3.7Å; Y522-M818 HydrophobicContact CE2-CG 4.28Å; Y522-M818 HydrophobicContact CG-CB 4.24Å; Y522-M818 HydrophobicContact CG-CG 4.02Å; Y522-M818 HydrophobicContact CG-SD 4.12Å
523F92.1Very high85.4Confident16 Ų1653.3 Ų53.37%0.0731%0.305CS..THydrogen-bonded Turntrans-103.824.7175.2-75.1-86.3000113.6A372 L492 R496 L499 L509 F519 E520 Q521 G525 C526A372-F523 HydrophobicContact CB-CB 4.34Å; A372-F523 HydrophobicContact CB-CD1 4.19Å; A372-F523 HydrophobicContact CB-CG 4.47Å; L492-F523 HydrophobicContact CB-CZ 4.42Å; L492-F523 HydrophobicContact CD2-CE2 4.04Å; L492-F523 HydrophobicContact CD2-CZ 3.9Å; R496-F523 HydrophobicContact CB-CD1 4.13Å; R496-F523 HydrophobicContact CB-CE1 3.7Å; R496-F523 HydrophobicContact CB-CZ 4.26Å; R496-F523 HydrophobicContact CG-CD1 4.18Å; R496-F523 HydrophobicContact CG-CE1 4.27Å; L499-F523 HydrophobicContact CD1-CD1 4.27Å; L499-F523 HydrophobicContact CD1-CE1 4.37Å; L509-F523 HydrophobicContact CD1-CD2 3.66Å; L509-F523 HydrophobicContact CD1-CE2 3.5Å; L509-F523 HydrophobicContact CD1-CG 4.49Å; L509-F523 HydrophobicContact CD1-CZ 4.23Å; L509-F523 HydrophobicContact CD2-CE2 4.43Å; L509-F523 HydrophobicContact CD2-CZ 4.49Å; F519-F523 PolarHBondContact O-N 3Å; E520-F523 CarbonylContact O-C 3.6Å; E520-F523 PolarHBondContact O-N 2.82Å; Q521-F523 VanDerWaalsContact C-N 3.29Å; Q521-F523 PolarHBondContact O-N 3.12Å; F523-G525 VanDerWaalsContact C-N 3.34Å; F523-G525 PolarHBondContact O-N 2.86Å; F523-C526 HydrophobicContact CB-CB 3.84Å
524N86.6Confident85Confident152 Ų15255.6 Ų55.681%0.81331%0.312SS*.THydrogen-bonded Turntrans56.936.8174.1-60.7-35000115.2E520 Q521E520-N524 PolarHBondContact O-N 2.95Å; Q521-N524 PolarHBondContact O-N 3.2Å
525G80.1Confident84.6Confident59 Ų5957.1 Ų57.161%0.60832%0.319SS*.SBendtrans90.748179.200000113.7E520 F523E520-G525 PolarHBondContact O-N 3.2Å; F523-G525 VanDerWaalsContact C-N 3.34Å; F523-G525 PolarHBondContact O-N 2.86Å
526C89.1Confident84.6Confident13 Ų1357.4 Ų57.49%0.08832%0.317CS..PPolyproline II helixtrans-64.4153.2175.767.20000112.4A372 F523 T528A372-C526 HydrophobicContact CB-CB 3.62Å; F523-C526 HydrophobicContact CB-CB 3.84Å; C526-T528 PolarHBondContact O-N 3.43Å
527A92.6Very high84.6Confident25 Ų2559.8 Ų59.821%0.20734%0.335CS..EExtended strand (participates in β ladder)trans-76.2118.3-175.200000111.7A366 N370 A372 T373 L374A366-A527 HydrophobicContact CB-CB 4.48Å; N370-A527 HydrophobicContact CB-CB 4.21Å; N370-A527 WeakPolarHBondContact ND2-CB 3.26Å; A372-A527 PolarHBondContact O-N 3.39Å; T373-A527 CarbonylContact C-O 3.55Å; T373-A527 WeakPolarHBondContact CA-O 3.33Å; T373-A527 WeakPolarHBondContact CG2-O 3.35Å; L374-A527 PolarHBondContact N-O 2.79Å
528T93.6Very high84.7Confident40 Ų4057.9 Ų57.925%0.24532%0.321CS..EExtended strand (participates in β ladder)trans-93.9127.5178.5-59.60000112L374 V376 T516 E520 C526 H530L374-T528 HydrophobicContact CD2-CG2 4.2Å; L374-T528 HydrophobicContact CG-CG2 4.37Å; L374-T528 CarbonylContact O-C 3.58Å; L374-T528 WeakPolarHBondContact O-CA 3.37Å; V376-T528 HydrophobicContact CG2-CG2 3.95Å; T516-T528 HydrophobicContact CG2-CG2 4.28Å; E520-T528 WeakPolarHBondContact CG-OG1 3.45Å; E520-T528 WeakPolarHBondContact OE1-CB 3.45Å; E520-T528 PolarHBondContact OE1-OG1 2.81Å; C526-T528 PolarHBondContact O-N 3.43Å; T528-H530 WeakPolarHBondContact CG2-NE2 3.07Å
529V94.2Very high84.9Confident15 Ų1558.6 Ų58.69%0.09133%0.327CS..EExtended strand (participates in β ladder)trans-116.6114.7174.2-175.50000109.5K362 I363 A366 T373 L374 V376K362-V529 HydrophobicContact CB-CG1 4.18Å; I363-V529 HydrophobicContact CG1-CB 4.45Å; I363-V529 HydrophobicContact CG1-CG1 3.83Å; A366-V529 HydrophobicContact CB-CG2 3.54Å; T373-V529 HydrophobicContact CG2-CG2 4.39Å; L374-V529 PolarHBondContact O-N 2.93Å; V376-V529 PolarHBondContact N-O 3.28Å
530H92.1Very high85.1Confident104 Ų10463.3 Ų63.348%0.48135%0.345SS..EExtended strand (participates in β ladder)trans-88.8126.9173-64.5-86000111V376 T528V376-H530 CarbonylContact O-C 3.58Å; V376-H530 WeakPolarHBondContact O-CA 3.42Å; T528-H530 WeakPolarHBondContact CG2-NE2 3.07Å
531I89Confident85.3Confident11 Ų1164 Ų646%0.05635%0.346CS..EExtended strand (participates in β ladder)trans-93.5113.7170.4-59.1156.6000107.7P355 V356 I363 V375 V376 C381 K383P355-I531 HydrophobicContact CB-CG2 4.38Å; V356-I531 HydrophobicContact CB-CD1 4.12Å; V356-I531 HydrophobicContact CB-CG2 4.31Å; V356-I531 HydrophobicContact CG2-CD1 3.6Å; V356-I531 HydrophobicContact CG2-CG1 4.22Å; I363-I531 HydrophobicContact CD1-CD1 4.24Å; I363-I531 HydrophobicContact CD1-CG1 4.26Å; V375-I531 HydrophobicContact CG1-CD1 3.56Å; V375-I531 HydrophobicContact CG1-CG1 4.29Å; V376-I531 PolarHBondContact O-N 2.58Å; C381-I531 HydrophobicContact CB-CG2 4.07Å; K383-I531 HydrophobicContact CD-CD1 4.12Å; K383-I531 HydrophobicContact CG-CD1 3.59Å
532E79.7Confident85.6Confident157 Ų15758 Ų5873%0.73432%0.317SS*.  trans-80.8147.4176.2-67178.5-166.700111.7
533G64.3Low85.7Confident45 Ų4557.2 Ų57.246%0.46432%0.315SS..  trans94.3144.7169.900000116.5
534R61.5Low85.8Confident61 Ų6156.7 Ų56.723%0.2331%0.313CS..  trans-98.4158.4158.8-62.6-172.9179.7-148.9-7.3109E378 F536E378-R534 IonicContact OE1-CZ 3.07Å; E378-R534 IonicContact OE1-NE 3.66Å; E378-R534 IonicContact OE1-NH2 2.78Å; E378-R534 PolarHBondContact OE1-NH2 3.2Å; E378-R534 VanDerWaalsContact OE2-CG 3.24Å; E378-R534 WeakPolarHBondContact OE2-CG 3.27Å; E378-R534 IonicContact OE2-CZ 3.27Å; E378-R534 IonicContact OE2-NE 2.99Å; E378-R534 PolarHBondContact OE2-NE 3.29Å; E378-R534 IonicContact OE2-NH2 2.94Å; E378-R534 PolarHBondContact OE2-NH2 3.22Å; R534-F536 WeakPolarHBondContact CB-O 3.24Å
535L61.8Low86.2Confident55 Ų5550.6 Ų50.629%0.28828%0.28SS..SBendtrans-60.6-46.9166.5-76.6157.5000110.9E353 L354 P355 R764E353-L535 WeakPolarHBondContact O-CD2 3.46Å; L354-L535 HydrophobicContact CD2-CD1 3.94Å; L354-L535 HydrophobicContact CD2-CD2 4.48Å; P355-L535 HydrophobicContact CG-CD2 4.37Å; P355-L535 HydrophobicContact CG-CG 4.02Å; L535-R764 WeakPolarHBondContact CB-O 3.33Å; L535-R764 VanDerWaalsContact CD1-O 3.25Å; L535-R764 WeakPolarHBondContact CD1-O 3.34Å
536F76Confident86.9Confident75 Ų7547.8 Ų47.833%0.32925%0.251SS..SBendtrans-142.5161.2176.8-53.5-88.6000112.5R534 G763 R764 C765 Q766 P767R534-F536 WeakPolarHBondContact CB-O 3.24Å; F536-G763 PolarHBondContact N-O 3.3Å; F536-G763 VanDerWaalsContact N-O 3.14Å; F536-R764 WeakPolarHBondContact CD2-O 3.34Å; F536-R764 WeakPolarHBondContact CE2-O 3.26Å; F536-C765 WeakPolarHBondContact CE2-O 3.46Å; F536-C765 WeakPolarHBondContact CZ-O 3.46Å; F536-Q766 VanDerWaalsContact CD2-N 3.34Å; F536-Q766 VanDerWaalsContact CG-C 3.42Å; F536-P767 HydrophobicContact CB-CB 4.44Å; F536-P767 HydrophobicContact CB-CG 4.18Å; F536-P767 HydrophobicContact CD1-CG 3.96Å; F536-P767 HydrophobicContact CG-CG 4.41Å
537S84.8Confident87.1Confident80 Ų8047.3 Ų47.356%0.55925%0.248SC*.  trans-72.2154.2175.251.50000112.3P767 G768S537-P767 WeakPolarHBondContact O-CA 3.42Å; S537-G768 PolarHBondContact O-N 3.34Å
538V88.3Confident87.2Confident18 Ų1850 Ų5011%0.10926%0.256CS..EExtended strand (participates in β ladder)trans-128.9112.9170.8-175.60000108.9C759 A762 G768 C770V538-C759 VanDerWaalsContact CG1-SG 3.58Å; V538-A762 HydrophobicContact CG1-CB 4.12Å; V538-A762 HydrophobicContact CG2-CB 4.11Å; V538-A762 WeakPolarHBondContact CG2-O 3.37Å; V538-G768 WeakPolarHBondContact CA-O 3.44Å; V538-C770 HydrophobicContact CG1-CB 3.81Å
539T92.9Very high87.1Confident70 Ų7050.5 Ų50.543%0.42926%0.256SS..EExtended strand (participates in β ladder)trans-71.1133.3173.8-55.50000109.3Y541 G768 V769 C770T539-Y541 HydrophobicContact CG2-CE1 3.95Å; T539-Y541 HydrophobicContact CG2-CE2 3.97Å; T539-G768 PolarHBondContact N-O 2.55Å; T539-V769 CarbonylContact O-C 3.57Å; T539-V769 WeakPolarHBondContact O-CA 3.45Å; T539-C770 PolarHBondContact O-N 2.97Å
540R94.3Very high86.8Confident103 Ų10351 Ų5139%0.38926%0.26SS..EExtended strand (participates in β ladder)trans-109132.3-179-54.9-175.5-162.7171.85.5110.2C770R540-C770 WeakPolarHBondContact CA-O 3.44Å
541Y95.9Very high86.7Confident68 Ų6852.6 Ų52.627%0.26727%0.272SS..EExtended strand (participates in β ladder)trans-124.2143.6174.4-63-58.1000109.3T539 D545 M549 V769 C770 F771 H772T539-Y541 HydrophobicContact CG2-CE1 3.95Å; T539-Y541 HydrophobicContact CG2-CE2 3.97Å; Y541-D545 HydrophobicContact CD1-CB 3.99Å; Y541-D545 HydrophobicContact CG-CB 4.34Å; Y541-M549 HydrophobicContact CD1-SD 3.93Å; Y541-M549 HydrophobicContact CD2-CE 4.46Å; Y541-M549 HydrophobicContact CD2-SD 3.97Å; Y541-M549 HydrophobicContact CE1-SD 3.85Å; Y541-M549 HydrophobicContact CE2-CE 3.96Å; Y541-M549 HydrophobicContact CE2-SD 3.87Å; Y541-M549 HydrophobicContact CG-SD 3.99Å; Y541-V769 HydrophobicContact CD2-CG1 3.53Å; Y541-V769 HydrophobicContact CE2-CG1 3.52Å; Y541-C770 PolarHBondContact N-O 3.18Å; Y541-F771 HydrophobicContact CD2-CD1 4.02Å; Y541-F771 AromaticContact CD2-CE1 3.51Å; Y541-F771 HydrophobicContact CD2-CE1 3.51Å; Y541-F771 HydrophobicContact CD2-CE2 4.13Å; Y541-F771 AromaticContact CD2-CZ 3.58Å; Y541-F771 HydrophobicContact CD2-CZ 3.58Å; Y541-F771 HydrophobicContact CE2-CE1 4.37Å; Y541-F771 HydrophobicContact CE2-CZ 4.1Å; Y541-F771 HydrophobicContact CG-CD1 4.24Å; Y541-F771 AromaticContact CG-CE1 3.95Å; Y541-F771 HydrophobicContact CG-CE1 3.95Å; Y541-F771 HydrophobicContact CG-CZ 4.46Å; Y541-F771 CarbonylContact O-C 3.2Å; Y541-F771 WeakPolarHBondContact O-CA 3.48Å; Y541-H772 PolarHBondContact O-N 3.11Å
542F96.1Very high86.6Confident25 Ų2553.3 Ų53.311%0.1127%0.274CS..  trans-105.5-177178.2-66-92.7000111.1E544 D545 A546 H772 K776 F779F542-E544 PolarHBondContact O-N 3.22Å; F542-D545 PolarHBondContact N-OD2 3.38Å; F542-D545 WeakPolarHBondContact O-CB 3.14Å; F542-D545 PolarHBondContact O-N 3.38Å; F542-D545 VanDerWaalsContact O-N 3.14Å; F542-A546 WeakPolarHBondContact O-CB 3.11Å; F542-A546 PolarHBondContact O-N 3.17Å; F542-H772 CarbonylContact C-O 3.58Å; F542-H772 WeakPolarHBondContact CA-O 3.34Å; F542-H772 HydrophobicContact CD1-CB 4.21Å; F542-H772 HydrophobicContact CE1-CB 4.42Å; F542-K776 HydrophobicContact CB-CG 3.98Å; F542-K776 HydrophobicContact CD1-CG 3.98Å; F542-K776 HydrophobicContact CD2-CD 4.08Å; F542-K776 HydrophobicContact CD2-CG 3.7Å; F542-K776 HydrophobicContact CE1-CG 4.41Å; F542-K776 HydrophobicContact CE2-CG 4.12Å; F542-K776 HydrophobicContact CG-CD 4.34Å; F542-K776 HydrophobicContact CG-CG 3.59Å; F542-K776 HydrophobicContact CZ-CG 4.45Å; F542-F779 HydrophobicContact CD1-CB 4.14Å; F542-F779 HydrophobicContact CD1-CG 4.46Å; F542-F779 HydrophobicContact CE1-CB 3.62Å; F542-F779 AromaticContact CE1-CD1 3.89Å; F542-F779 HydrophobicContact CE1-CD1 3.89Å; F542-F779 AromaticContact CE1-CD2 3.83Å; F542-F779 HydrophobicContact CE1-CD2 3.83Å; F542-F779 HydrophobicContact CE1-CE2 4.49Å; F542-F779 AromaticContact CE1-CG 3.5Å; F542-F779 HydrophobicContact CE1-CG 3.5Å; F542-F779 VanDerWaalsContact CE1-CG 3.5Å; F542-F779 HydrophobicContact CZ-CD1 4.09Å; F542-F779 HydrophobicContact CZ-CE1 4.42Å; F542-F779 HydrophobicContact CZ-CG 4.14Å
543L94.8Very high86.8Confident9 Ų950.9 Ų50.95%0.04727%0.27CS..Hα-helixtrans-57.2-46.4-175.1-177.259000112.8D545 A546 V547 V593 M596 L605 H772 C774L543-D545 PolarHBondContact O-N 3.07Å; L543-A546 PolarHBondContact O-N 3.42Å; L543-V547 WeakPolarHBondContact O-CG2 3.45Å; L543-V547 PolarHBondContact O-N 2.83Å; L543-V593 HydrophobicContact CD2-CG1 4.07Å; L543-V593 HydrophobicContact CG-CG1 4.36Å; L543-V593 HydrophobicContact CG-CG2 4.45Å; L543-M596 HydrophobicContact CD1-SD 3.95Å; L543-L605 HydrophobicContact CD1-CD2 3.57Å; L543-H772 PolarHBondContact N-O 2.89Å; L543-C774 VanDerWaalsContact CB-C 3.47Å; L543-C774 WeakPolarHBondContact CB-O 3.29Å; L543-C774 PolarHBondContact N-O 3.4Å
544E94.7Very high87.4Confident5 Ų549.8 Ų49.82%0.02325%0.254CS..Hα-helixtrans-65.4-35.1176.861.6-81.2-171.400113.2F542 Q548 V581 Y585 V589 V593 S775 K776F542-E544 PolarHBondContact O-N 3.22Å; E544-Q548 WeakPolarHBondContact O-CB 3.5Å; E544-Q548 PolarHBondContact O-N 2.86Å; E544-V581 HydrophobicContact CB-CG1 3.96Å; E544-V581 HydrophobicContact CG-CG1 4.19Å; E544-Y585 HydrophobicContact CB-CD1 4.02Å; E544-Y585 HydrophobicContact CB-CE1 4.01Å; E544-Y585 HydrophobicContact CB-CG 4.4Å; E544-Y585 HydrophobicContact CG-CD1 4.07Å; E544-Y585 HydrophobicContact CG-CD2 4.24Å; E544-Y585 HydrophobicContact CG-CE1 3.64Å; E544-Y585 HydrophobicContact CG-CE2 3.85Å; E544-Y585 HydrophobicContact CG-CG 4.36Å; E544-V589 HydrophobicContact CB-CG1 4.27Å; E544-V589 WeakPolarHBondContact O-CG1 3.22Å; E544-V593 HydrophobicContact CB-CG2 4.12Å; E544-S775 VanDerWaalsContact OE2-CA 3.28Å; E544-S775 WeakPolarHBondContact OE2-CA 3.42Å; E544-K776 WeakPolarHBondContact OE1-CB 3.37Å; E544-K776 WeakPolarHBondContact OE1-CD 3.18Å; E544-K776 WeakPolarHBondContact OE1-CE 3.34Å; E544-K776 WeakPolarHBondContact OE1-CG 3.42Å; E544-K776 PolarHBondContact OE1-N 2.94Å; E544-K776 IonicContact OE1-NZ 2.97Å
545D95.2Very high87.7Confident25 Ų2553.2 Ų53.213%0.13428%0.276CS..Hα-helixtrans-67.6-42.5173.9-56.7-50.3000110.4Y541 F542 L543 Q548 M549 Y585 K776Y541-D545 HydrophobicContact CD1-CB 3.99Å; Y541-D545 HydrophobicContact CG-CB 4.34Å; F542-D545 PolarHBondContact N-OD2 3.38Å; F542-D545 WeakPolarHBondContact O-CB 3.14Å; F542-D545 PolarHBondContact O-N 3.38Å; F542-D545 VanDerWaalsContact O-N 3.14Å; L543-D545 PolarHBondContact O-N 3.07Å; D545-Q548 PolarHBondContact O-N 3.39Å; D545-M549 WeakPolarHBondContact O-CB 3.49Å; D545-M549 VanDerWaalsContact O-CG 3.23Å; D545-M549 WeakPolarHBondContact O-CG 3.43Å; D545-M549 PolarHBondContact O-N 3.25Å; D545-Y585 PolarHBondContact OD1-OH 3.39Å; D545-K776 VanDerWaalsContact CG-NZ 3.3Å; D545-K776 IonicContact OD1-NZ 3.25Å; D545-K776 PolarHBondContact OD1-NZ 3.34Å; D545-K776 WeakPolarHBondContact OD2-CE 3.11Å; D545-K776 IonicContact OD2-NZ 2.83Å; D545-K776 PolarHBondContact OD2-NZ 2.97Å
546A93.6Very high87.5Confident0 Ų058.3 Ų58.30%030%0.299CS..Hα-helixtrans-63.9-44.9179.100000112.2F542 L543 M549 T550 I609 F771F542-A546 WeakPolarHBondContact O-CB 3.11Å; F542-A546 PolarHBondContact O-N 3.17Å; L543-A546 PolarHBondContact O-N 3.42Å; A546-M549 PolarHBondContact O-N 3.24Å; A546-T550 WeakPolarHBondContact O-CB 3.27Å; A546-T550 WeakPolarHBondContact O-CG2 3.13Å; A546-T550 PolarHBondContact O-N 2.92Å; A546-T550 PolarHBondContact O-OG1 3.27Å; A546-I609 HydrophobicContact CB-CD1 4.03Å; A546-I609 HydrophobicContact CB-CG1 4.43Å; A546-F771 HydrophobicContact CB-CD1 3.94Å; A546-F771 HydrophobicContact CB-CE1 4.42Å
547V93.8Very high86.4Confident2 Ų259.3 Ų59.31%0.01232%0.321CS..Hα-helixtrans-63.1-45176170.30000110.9L543 T550 N551 F552 V589 T592 V593 M596 L605L543-V547 WeakPolarHBondContact O-CG2 3.45Å; L543-V547 PolarHBondContact O-N 2.83Å; V547-T550 PolarHBondContact O-OG1 3.05Å; V547-N551 WeakPolarHBondContact O-CA 3.45Å; V547-N551 PolarHBondContact O-N 2.95Å; V547-F552 HydrophobicContact CG1-CB 4.49Å; V547-F552 PolarHBondContact O-N 3.45Å; V547-V589 HydrophobicContact CB-CG1 4.29Å; V547-V589 HydrophobicContact CG1-CG1 4.05Å; V547-T592 HydrophobicContact CG1-CG2 4.08Å; V547-V593 HydrophobicContact CB-CG2 4.21Å; V547-V593 HydrophobicContact CG1-CG2 4.44Å; V547-V593 HydrophobicContact CG2-CG2 4.01Å; V547-M596 HydrophobicContact CG2-CE 3.54Å; V547-L605 HydrophobicContact CG2-CD1 4.29Å; V547-L605 HydrophobicContact CG2-CD2 4.48Å
548Q94.1Very high84.9Confident83 Ų8360 Ų6039%0.38832%0.317SS..Hα-helixtrans-63.9-44.8176.8-175.9172.5-38.100112.4E544 D545 N551 Y585 V589E544-Q548 WeakPolarHBondContact O-CB 3.5Å; E544-Q548 PolarHBondContact O-N 2.86Å; D545-Q548 PolarHBondContact O-N 3.39Å; Q548-N551 PolarHBondContact O-N 2.93Å; Q548-Y585 VanDerWaalsContact OE1-CD1 3.26Å; Q548-V589 HydrophobicContact CB-CG1 4.24Å; Q548-V589 HydrophobicContact CB-CG2 3.81Å; Q548-V589 HydrophobicContact CG-CG2 4.15Å
549M91.1Very high83Confident49 Ų4963.1 Ų63.124%0.24133%0.33CS..Hα-helixtrans-63.7-44.4-179.6-75.2177.668.800111.6Y541 D545 A546 N551 Q612 F771Y541-M549 HydrophobicContact CD1-SD 3.93Å; Y541-M549 HydrophobicContact CD2-CE 4.46Å; Y541-M549 HydrophobicContact CD2-SD 3.97Å; Y541-M549 HydrophobicContact CE1-SD 3.85Å; Y541-M549 HydrophobicContact CE2-CE 3.96Å; Y541-M549 HydrophobicContact CE2-SD 3.87Å; Y541-M549 HydrophobicContact CG-SD 3.99Å; D545-M549 WeakPolarHBondContact O-CB 3.49Å; D545-M549 VanDerWaalsContact O-CG 3.23Å; D545-M549 WeakPolarHBondContact O-CG 3.43Å; D545-M549 PolarHBondContact O-N 3.25Å; A546-M549 PolarHBondContact O-N 3.24Å; M549-N551 VanDerWaalsContact C-N 3.33Å; M549-Q612 PolarHBondContact O-NE2 2.81Å; M549-Q612 PolarHBondContact O-OE1 3.15Å; M549-F771 HydrophobicContact CE-CE1 4.36Å; M549-F771 HydrophobicContact CE-CZ 4.11Å; M549-F771 HydrophobicContact SD-CE1 4Å; M549-F771 HydrophobicContact SD-CZ 4.32Å
550T89.3Confident80.8Confident26 Ų2666.6 Ų66.616%0.1635%0.346CS..Hα-helixtrans-79.8-12.7-177.652.40000114A546 V547 F552 A608 I609 Q612A546-T550 WeakPolarHBondContact O-CB 3.27Å; A546-T550 WeakPolarHBondContact O-CG2 3.13Å; A546-T550 PolarHBondContact O-N 2.92Å; A546-T550 PolarHBondContact O-OG1 3.27Å; V547-T550 PolarHBondContact O-OG1 3.05Å; T550-F552 PolarHBondContact O-N 3.38Å; T550-F552 WeakPolarHBondContact OG1-CB 3.48Å; T550-F552 PolarHBondContact OG1-N 3.5Å; T550-A608 HydrophobicContact CG2-CB 4.03Å; T550-I609 HydrophobicContact CG2-CB 4.29Å; T550-I609 HydrophobicContact CG2-CG1 3.77Å; T550-Q612 HydrophobicContact CG2-CB 4.46Å
551N88.7Confident78.7Confident138 Ų13864.7 Ų64.774%0.73835%0.348SS*.THydrogen-bonded Turntrans51.539.4-164-59.7-78.1000112.1V547 Q548 M549V547-N551 WeakPolarHBondContact O-CA 3.45Å; V547-N551 PolarHBondContact O-N 2.95Å; Q548-N551 PolarHBondContact O-N 2.93Å; M549-N551 VanDerWaalsContact C-N 3.33Å
552F87.9Confident76.6Confident25 Ų2564 Ų6411%0.1135%0.346CS..  trans-67.5136.5-178.7-172.1-96.8000111V547 T550 I554 T592 M596 N602 E604 L605 A608V547-F552 HydrophobicContact CG1-CB 4.49Å; V547-F552 PolarHBondContact O-N 3.45Å; T550-F552 PolarHBondContact O-N 3.38Å; T550-F552 WeakPolarHBondContact OG1-CB 3.48Å; T550-F552 PolarHBondContact OG1-N 3.5Å; F552-I554 HydrophobicContact CD1-CG1 4.43Å; F552-I554 HydrophobicContact CE1-CG1 3.71Å; F552-T592 HydrophobicContact CD1-CG2 4.12Å; F552-M596 HydrophobicContact CD1-CE 3.53Å; F552-M596 HydrophobicContact CE1-CE 3.68Å; F552-N602 WeakPolarHBondContact CE1-ND2 3.29Å; F552-E604 HydrophobicContact CE2-CB 3.8Å; F552-E604 HydrophobicContact CZ-CB 3.93Å; F552-L605 HydrophobicContact CB-CD1 4Å; F552-L605 HydrophobicContact CD1-CD1 4.38Å; F552-L605 HydrophobicContact CD2-CB 4.5Å; F552-L605 HydrophobicContact CD2-CD1 4.31Å; F552-L605 HydrophobicContact CE2-CB 4.41Å; F552-L605 HydrophobicContact CG-CD1 3.97Å; F552-L605 HydrophobicContact CZ-CB 4.46Å; F552-A608 HydrophobicContact CD2-CB 4.07Å
553V83.8Confident74.3Confident107 Ų10765.9 Ų65.965%0.64836%0.36SS*.  trans-132.4144.2176.6-178.20000107.4
554I77.3Confident72Confident22 Ų2272.3 Ų72.311%0.11339%0.39CS..  trans-97.3130.7173.4-62.4162.7000107F552 E556 M558 F562 T592 M595 M596F552-I554 HydrophobicContact CD1-CG1 4.43Å; F552-I554 HydrophobicContact CE1-CG1 3.71Å; I554-E556 PolarHBondContact O-N 3.01Å; I554-M558 HydrophobicContact CG2-CB 4.14Å; I554-F562 HydrophobicContact CG2-CE2 4.16Å; I554-T592 HydrophobicContact CD1-CG2 3.97Å; I554-T592 HydrophobicContact CG1-CG2 3.99Å; I554-M595 HydrophobicContact CD1-CB 3.83Å; I554-M596 HydrophobicContact CD1-CE 4.31Å; I554-M596 HydrophobicContact CD1-CG 3.81Å
555D68.1Low69.7Low133 Ų13373.7 Ų73.771%0.71140%0.398SS*.  trans-61.3129172.8-93.7-36.4000110.2A557 M558D555-A557 PolarHBondContact O-N 3.38Å; D555-M558 WeakPolarHBondContact O-CB 3.47Å; D555-M558 PolarHBondContact O-N 2.82Å
556E56.5Low67.3Low162 Ų16276.7 Ų76.776%0.75741%0.409SS*.G310 helixtrans-58-24.1-179-63.1179160.100112.1I554 M558 E559I554-E556 PolarHBondContact O-N 3.01Å; E556-M558 PolarHBondContact O-N 3.31Å; E556-M558 VanDerWaalsContact O-N 3.14Å; E556-E559 VanDerWaalsContact O-CB 3.25Å; E556-E559 WeakPolarHBondContact O-CB 3.44Å; E556-E559 PolarHBondContact O-N 3.09Å
557A53.6Low65.1Low96 Ų9681.6 Ų81.679%0.79344%0.435SS*.G310 helixtrans-64.2-11.4172.700000114.9D555D555-A557 PolarHBondContact O-N 3.38Å
558M52.3Low62.8Low95 Ų9585 Ų8547%0.46845%0.452SS..G310 helixtrans-87.7-14170.6-66.4-101.692.500112.9I554 D555 E556 D560 S561 F562I554-M558 HydrophobicContact CG2-CB 4.14Å; D555-M558 WeakPolarHBondContact O-CB 3.47Å; D555-M558 PolarHBondContact O-N 2.82Å; E556-M558 PolarHBondContact O-N 3.31Å; E556-M558 VanDerWaalsContact O-N 3.14Å; M558-D560 VanDerWaalsContact C-N 3.35Å; M558-D560 PolarHBondContact O-N 3.2Å; M558-S561 WeakPolarHBondContact O-CB 3.45Å; M558-S561 PolarHBondContact O-N 3.12Å; M558-S561 PolarHBondContact O-OG 3.33Å; M558-F562 HydrophobicContact CB-CD2 4.36Å; M558-F562 HydrophobicContact CB-CE2 3.75Å; M558-F562 WeakPolarHBondContact O-CD2 3.43Å
559E49.9Very low60.5Low82 Ų8282.5 Ų82.538%0.38344%0.443SS..Hα-helixtrans-61.2-39.7-167.4-165.8168.3-141.200112.7E556 S561 F562 V563E556-E559 VanDerWaalsContact O-CB 3.25Å; E556-E559 WeakPolarHBondContact O-CB 3.44Å; E556-E559 PolarHBondContact O-N 3.09Å; E559-S561 PolarHBondContact O-N 3.4Å; E559-S561 VanDerWaalsContact O-N 3.1Å; E559-F562 PolarHBondContact O-N 3.48Å; E559-V563 PolarHBondContact O-N 3.12Å
560D46.9Very low58.3Low144 Ų14487.2 Ų87.277%0.7747%0.465SS*.Hα-helixtrans-50.8-34.6173.6-82.6-22.5000113.2M558M558-D560 VanDerWaalsContact C-N 3.35Å; M558-D560 PolarHBondContact O-N 3.2Å
561S50.2Low56.2Low63 Ų6390.2 Ų90.244%0.44149%0.487SS..Hα-helixtrans-77.2-23.8179.973.50000113.7M558 E559M558-S561 WeakPolarHBondContact O-CB 3.45Å; M558-S561 PolarHBondContact O-N 3.12Å; M558-S561 PolarHBondContact O-OG 3.33Å; E559-S561 PolarHBondContact O-N 3.4Å; E559-S561 VanDerWaalsContact O-N 3.1Å
562F50.4Low54.1Low52 Ų5283.8 Ų83.823%0.22845%0.453CS..Hα-helixtrans-91.3-13.3178-58.9-55.9000113I554 M558 E559 D565 K566 P597I554-F562 HydrophobicContact CG2-CE2 4.16Å; M558-F562 HydrophobicContact CB-CD2 4.36Å; M558-F562 HydrophobicContact CB-CE2 3.75Å; M558-F562 WeakPolarHBondContact O-CD2 3.43Å; E559-F562 PolarHBondContact O-N 3.48Å; F562-D565 PolarHBondContact O-N 3.21Å; F562-K566 PolarHBondContact O-N 2.97Å; F562-K566 VanDerWaalsContact O-N 3.15Å; F562-P597 HydrophobicContact CD1-CG 3.9Å; F562-P597 HydrophobicContact CE1-CG 3.73Å
563V48.3Very low52.4Low65 Ų6589.7 Ų89.739%0.39449%0.486SS..Hα-helixtrans-65-39174.3172.40000111.8E559 D565 K566 I567E559-V563 PolarHBondContact O-N 3.12Å; V563-D565 VanDerWaalsContact C-N 3.33Å; V563-D565 PolarHBondContact O-N 2.87Å; V563-K566 PolarHBondContact O-N 2.77Å; V563-I567 HydrophobicContact CG1-CD1 4.12Å; V563-I567 WeakPolarHBondContact O-CG1 3.15Å; V563-I567 PolarHBondContact O-N 2.87Å
564E47.1Very low51.2Low145 Ų14586.7 Ų86.768%0.67847%0.468SS*.Hα-helixtrans-60.1-42.4175.3-68.4-160139.700111.7I567 I568E564-I567 PolarHBondContact O-N 2.99Å; E564-I568 WeakPolarHBondContact O-CG1 3.43Å; E564-I568 PolarHBondContact O-N 2.79Å
565D45.1Very low50.8Low34 Ų3490.5 Ų90.518%0.18249%0.485CS..Hα-helixtrans-67.5-35.9179.2-83.5-16000112.9S174 F562 V563 I568 S569S174-D565 VanDerWaalsContact CB-OD1 3.22Å; S174-D565 WeakPolarHBondContact CB-OD1 3.42Å; S174-D565 WeakPolarHBondContact CB-OD2 3.29Å; S174-D565 VanDerWaalsContact OG-CG 3.3Å; S174-D565 PolarHBondContact OG-OD1 2.94Å; S174-D565 PolarHBondContact OG-OD2 3.38Å; F562-D565 PolarHBondContact O-N 3.21Å; V563-D565 VanDerWaalsContact C-N 3.33Å; V563-D565 PolarHBondContact O-N 2.87Å; D565-I568 PolarHBondContact O-N 2.94Å; D565-S569 PolarHBondContact O-N 3.38Å
566K44.8Very low51.5Low88 Ų8885.7 Ų85.738%0.38346%0.459SS..Hα-helixtrans-56.8-49.6171.3-84.8177176.9166.70111F562 V563 I568 S569 E570F562-K566 PolarHBondContact O-N 2.97Å; F562-K566 VanDerWaalsContact O-N 3.15Å; V563-K566 PolarHBondContact O-N 2.77Å; K566-I568 VanDerWaalsContact C-N 3.27Å; K566-I568 PolarHBondContact O-N 3.29Å; K566-S569 PolarHBondContact O-N 2.9Å; K566-S569 PolarHBondContact O-OG 3.37Å; K566-E570 PolarHBondContact O-N 2.97Å
567I47.6Very low52.9Low103 Ų10378 Ų7853%0.52842%0.423SS..Hα-helixtrans-61.3-36.1-178.1-64.1164.3000111.7V563 E564 S571V563-I567 HydrophobicContact CG1-CD1 4.12Å; V563-I567 WeakPolarHBondContact O-CG1 3.15Å; V563-I567 PolarHBondContact O-N 2.87Å; E564-I567 PolarHBondContact O-N 2.99Å; I567-S571 PolarHBondContact O-N 2.8Å; I567-S571 PolarHBondContact O-OG 3.13Å
568I46.8Very low54.6Low72 Ų7273.6 Ų73.637%0.36939%0.386SS..Hα-helixtrans-71.2-34.2175.4-58.8162.7000111.4L177 E564 D565 K566 S571 A572L177-I568 HydrophobicContact CD1-CG2 3.6Å; E564-I568 WeakPolarHBondContact O-CG1 3.43Å; E564-I568 PolarHBondContact O-N 2.79Å; D565-I568 PolarHBondContact O-N 2.94Å; K566-I568 VanDerWaalsContact C-N 3.27Å; K566-I568 PolarHBondContact O-N 3.29Å; I568-S571 PolarHBondContact O-OG 2.93Å; I568-A572 WeakPolarHBondContact O-CB 3.26Å; I568-A572 PolarHBondContact O-N 3.03Å
569S45.2Very low56.3Low31 Ų3174.2 Ų74.222%0.21739%0.391CS..Hα-helixtrans-69.2-43.3176.676.10000113.3D565 K566 A572D565-S569 PolarHBondContact O-N 3.38Å; K566-S569 PolarHBondContact O-N 2.9Å; K566-S569 PolarHBondContact O-OG 3.37Å; S569-A572 WeakPolarHBondContact O-CB 3.49Å; S569-A572 PolarHBondContact O-N 3.15Å; S569-A572 VanDerWaalsContact O-N 3.12Å
570E44.1Very low58.1Low148 Ų14873.8 Ų73.869%0.69239%0.391SS*.Hα-helixtrans-63.9-46-179.8-70.1-180167.100111.7K566 A572 N573K566-E570 PolarHBondContact O-N 2.97Å; E570-A572 PolarHBondContact O-N 3.35Å; E570-A572 VanDerWaalsContact O-N 3.1Å; E570-N573 PolarHBondContact O-N 3.25Å
571S44.7Very low60.1Low90 Ų9067.9 Ų67.963%0.62936%0.36SS*.THydrogen-bonded Turntrans-67.3-7.5176.257.10000114.2I567 I568I567-S571 PolarHBondContact O-N 2.8Å; I567-S571 PolarHBondContact O-OG 3.13Å; I568-S571 PolarHBondContact O-OG 2.93Å
572A46.5Very low62Low2 Ų268.2 Ų68.22%0.01736%0.362CS..THydrogen-bonded Turntrans-96.2-12.8177.700000114.8F179 K203 I568 S569 E570 V574F179-A572 HydrophobicContact CE1-CB 3.98Å; F179-A572 HydrophobicContact CZ-CB 4.2Å; K203-A572 WeakPolarHBondContact CE-O 3.41Å; K203-A572 PolarHBondContact NZ-O 3.14Å; I568-A572 WeakPolarHBondContact O-CB 3.26Å; I568-A572 PolarHBondContact O-N 3.03Å; S569-A572 WeakPolarHBondContact O-CB 3.49Å; S569-A572 PolarHBondContact O-N 3.15Å; S569-A572 VanDerWaalsContact O-N 3.12Å; E570-A572 PolarHBondContact O-N 3.35Å; E570-A572 VanDerWaalsContact O-N 3.1Å; A572-V574 HydrophobicContact CB-CB 4.09Å; A572-V574 HydrophobicContact CB-CG2 3.62Å; A572-V574 PolarHBondContact O-N 3Å
573N51.2Low63.8Low150 Ų15071.8 Ų71.880%0.80238%0.383SS*.THydrogen-bonded Turntrans51.439.5-162.8-65.735.7000112.4E570E570-N573 PolarHBondContact O-N 3.25Å
574V58.6Low65.8Low44 Ų4472.9 Ų72.927%0.26739%0.394SS..  trans-109.3112.6-178.7174.60000108.3L170 A572 N576L170-V574 HydrophobicContact CB-CG1 4.04Å; L170-V574 HydrophobicContact CB-CG2 3.81Å; L170-V574 HydrophobicContact CD1-CG2 4.41Å; L170-V574 HydrophobicContact CD2-CB 4.31Å; L170-V574 HydrophobicContact CD2-CG1 4.15Å; L170-V574 HydrophobicContact CD2-CG2 4.09Å; L170-V574 HydrophobicContact CG-CG2 4.33Å; A572-V574 HydrophobicContact CB-CB 4.09Å; A572-V574 HydrophobicContact CB-CG2 3.62Å; A572-V574 PolarHBondContact O-N 3Å; V574-N576 PolarHBondContact O-N 2.64Å; V574-N576 VanDerWaalsContact O-N 3.15Å
575E69.5Low67.9Low102 Ų10267.5 Ų67.548%0.47737%0.368SS..  trans-61.7113.5-178.4-161.1-175.8-162.900110.2L577 I580 R778 R781E575-L577 HydrophobicContact CB-CD2 4.17Å; E575-L577 HydrophobicContact CG-CD2 3.69Å; E575-L577 PolarHBondContact O-N 2.83Å; E575-L577 WeakPolarHBondContact OE2-CD2 3.41Å; E575-I580 WeakPolarHBondContact OE1-CD1 3.43Å; E575-R778 PolarHBondContact O-NH2 3.47Å; E575-R781 IonicContact OE1-CZ 3.21Å; E575-R781 IonicContact OE1-NH2 2.71Å; E575-R781 PolarHBondContact OE1-NH2 2.95Å; E575-R781 IonicContact OE2-CZ 2.62Å; E575-R781 VanDerWaalsContact OE2-CZ 3.25Å; E575-R781 IonicContact OE2-NE 2.79Å; E575-R781 PolarHBondContact OE2-NE 2.91Å; E575-R781 IonicContact OE2-NH2 3.83Å; E575-R781 PolarHBondContact OE2-NH2 3.29Å
576N81.3Confident70.2Confident32 Ų3268.8 Ų68.817%0.17138%0.378CS..  trans-78.6112171.8176.7-6.1000108.8V574 N578 L579 E598V574-N576 PolarHBondContact O-N 2.64Å; V574-N576 VanDerWaalsContact O-N 3.15Å; N576-N578 WeakPolarHBondContact OD1-CB 3.37Å; N576-N578 PolarHBondContact OD1-N 3.48Å; N576-L579 HydrophobicContact CB-CD1 4.09Å; N576-L579 HydrophobicContact CB-CG 4.12Å; N576-L579 WeakPolarHBondContact O-CB 3.4Å; N576-L579 WeakPolarHBondContact O-CG 3.35Å; N576-L579 PolarHBondContact O-N 2.89Å; N576-E598 WeakPolarHBondContact CA-OE2 3.5Å; N576-E598 PolarHBondContact OD1-OE2 2.95Å
577L87.8Confident72.3Confident1 Ų170.3 Ų70.31%0.00539%0.386CS..G310 helixtrans-90.7-0.5-171.4-57.7179.3000113.7E575 I580 E598 S775 A777 R778 R781E575-L577 HydrophobicContact CB-CD2 4.17Å; E575-L577 HydrophobicContact CG-CD2 3.69Å; E575-L577 PolarHBondContact O-N 2.83Å; E575-L577 WeakPolarHBondContact OE2-CD2 3.41Å; L577-I580 HydrophobicContact CD2-CD1 3.83Å; L577-I580 PolarHBondContact O-N 3.06Å; L577-E598 PolarHBondContact N-OE2 2.8Å; L577-S775 PolarHBondContact O-OG 3.31Å; L577-A777 HydrophobicContact CB-CB 4.33Å; L577-R778 HydrophobicContact CB-CB 4.05Å; L577-R778 HydrophobicContact CD1-CB 4.01Å; L577-R781 HydrophobicContact CD1-CB 4.09Å; L577-R781 HydrophobicContact CD1-CG 4.33Å
578N89Confident74.3Confident3 Ų369.2 Ų69.22%0.01639%0.388CS..G310 helixtrans-76.2-14164.6-72.8-6000111.9N576 I580 V593 A594 M596 E598N576-N578 WeakPolarHBondContact OD1-CB 3.37Å; N576-N578 PolarHBondContact OD1-N 3.48Å; N578-I580 VanDerWaalsContact C-N 3.28Å; N578-V593 HydrophobicContact CB-CG1 4.02Å; N578-V593 WeakPolarHBondContact CB-O 3.48Å; N578-A594 WeakPolarHBondContact O-CA 3.4Å; N578-M596 PolarHBondContact ND2-O 3.43Å; N578-E598 HydrophobicContact CB-CG 4.28Å; N578-E598 WeakPolarHBondContact ND2-CG 3.38Å
579L86.7Confident76.5Confident108 Ų10866.2 Ų66.257%0.56537%0.373SS*.G310 helixtrans-76.5-15.8171.6-54.5-178.8000112.7N576 A594N576-L579 HydrophobicContact CB-CD1 4.09Å; N576-L579 HydrophobicContact CB-CG 4.12Å; N576-L579 WeakPolarHBondContact O-CB 3.4Å; N576-L579 WeakPolarHBondContact O-CG 3.35Å; N576-L579 PolarHBondContact O-N 2.89Å; L579-A594 HydrophobicContact CD2-CB 3.86Å
580I88.3Confident78.6Confident73 Ų7368.2 Ų68.237%0.37438%0.376SS..  trans-105.585-175-53.1-179000109E575 L577 N578 A777E575-I580 WeakPolarHBondContact OE1-CD1 3.43Å; L577-I580 HydrophobicContact CD2-CD1 3.83Å; L577-I580 PolarHBondContact O-N 3.06Å; N578-I580 VanDerWaalsContact C-N 3.28Å; I580-A777 HydrophobicContact CB-CB 3.82Å; I580-A777 HydrophobicContact CG2-CB 3.87Å; I580-A777 WeakPolarHBondContact O-CB 3.28Å
581V88.9Confident80.8Confident20 Ų2066.6 Ų66.612%0.12137%0.366CS..  trans-124.1128.8176-173.20000109.7E544 Y585 R590 V593E544-V581 HydrophobicContact CB-CG1 3.96Å; E544-V581 HydrophobicContact CG-CG1 4.19Å; V581-Y585 HydrophobicContact CG1-CD2 3.86Å; V581-Y585 HydrophobicContact CG1-CG 4.01Å; V581-R590 HydrophobicContact CB-CG 4.01Å; V581-R590 HydrophobicContact CG1-CG 3.84Å; V581-R590 WeakPolarHBondContact O-CD 3.49Å; V581-V593 HydrophobicContact CG2-CB 4.26Å; V581-V593 HydrophobicContact CG2-CG1 3.77Å
582S89.2Confident82.9Confident69 Ų6962.9 Ų62.948%0.48334%0.34SS..  trans-51.9140.3-179.3171.10000113.1S584 Y585S582-S584 WeakPolarHBondContact CB-OG 3.36Å; S582-S584 PolarHBondContact O-N 3.4Å; S582-S584 WeakPolarHBondContact OG-CB 3.27Å; S582-S584 PolarHBondContact OG-N 3.45Å; S582-S584 PolarHBondContact OG-OG 3.21Å; S582-Y585 PolarHBondContact O-N 2.85Å
583D88.1Confident85Confident127 Ų12762.8 Ų62.868%0.67934%0.339SS*.THydrogen-bonded Turntrans-59.1-10.3172.6-69.3-70000114.2Y585 R590D583-Y585 PolarHBondContact O-N 2.72Å; D583-R590 IonicContact OD1-CZ 3.13Å; D583-R590 IonicContact OD1-NH1 2.67Å; D583-R590 PolarHBondContact OD1-NH1 3.22Å; D583-R590 IonicContact OD1-NH2 2.88Å; D583-R590 PolarHBondContact OD1-NH2 3.47Å
584S91.6Very high86.7Confident89 Ų8957 Ų5762%0.62231%0.312SS*.THydrogen-bonded Turntrans-64.3-15168.362.50000114.1S582S582-S584 WeakPolarHBondContact CB-OG 3.36Å; S582-S584 PolarHBondContact O-N 3.4Å; S582-S584 WeakPolarHBondContact OG-CB 3.27Å; S582-S584 PolarHBondContact OG-N 3.45Å; S582-S584 PolarHBondContact OG-OG 3.21Å
585Y91.5Very high88Confident32 Ų3257.6 Ų57.613%0.12531%0.313CS..SBendtrans-97.8141.4178.6-70.7-90.6000111.9E544 D545 Q548 V581 S582 D583 V589 R590 K776E544-Y585 HydrophobicContact CB-CD1 4.02Å; E544-Y585 HydrophobicContact CB-CE1 4.01Å; E544-Y585 HydrophobicContact CB-CG 4.4Å; E544-Y585 HydrophobicContact CG-CD1 4.07Å; E544-Y585 HydrophobicContact CG-CD2 4.24Å; E544-Y585 HydrophobicContact CG-CE1 3.64Å; E544-Y585 HydrophobicContact CG-CE2 3.85Å; E544-Y585 HydrophobicContact CG-CG 4.36Å; D545-Y585 PolarHBondContact OD1-OH 3.39Å; Q548-Y585 VanDerWaalsContact OE1-CD1 3.26Å; V581-Y585 HydrophobicContact CG1-CD2 3.86Å; V581-Y585 HydrophobicContact CG1-CG 4.01Å; S582-Y585 PolarHBondContact O-N 2.85Å; D583-Y585 PolarHBondContact O-N 2.72Å; Y585-V589 HydrophobicContact CD1-CG1 4.2Å; Y585-R590 PolarHBondContact O-NE 3.24Å; Y585-K776 PolarHBondContact OH-NZ 3.36Å
586P92.7Very high88.7Confident61 Ų6153.3 Ų53.340%0.39629%0.292SS..  trans-52.9144.3175.6-25.433.8000112.6S588 V589 R590P586-S588 PolarHBondContact O-N 3.08Å; P586-V589 HydrophobicContact CB-CG2 4.14Å; P586-V589 HydrophobicContact CG-CG2 4.18Å; P586-V589 WeakPolarHBondContact O-CB 3.47Å; P586-V589 PolarHBondContact O-N 3.13Å; P586-R590 PolarHBondContact O-N 3.13Å
587E89.5Confident88.7Confident119 Ų11953.4 Ų53.456%0.55630%0.295SS*.Hα-helixtrans-57.9-33.8-178-165.6-170138.800112.7R590 K591E587-R590 PolarHBondContact O-N 3.15Å; E587-K591 HydrophobicContact CG-CD 4.46Å; E587-K591 WeakPolarHBondContact O-CB 3.47Å; E587-K591 WeakPolarHBondContact O-CG 3.42Å; E587-K591 PolarHBondContact O-N 3.49Å; E587-K591 WeakPolarHBondContact OE1-CE 3.31Å; E587-K591 IonicContact OE1-NZ 2.74Å; E587-K591 PolarHBondContact OE1-NZ 2.98Å
588S89.5Confident88.5Confident80 Ų8054.3 Ų54.356%0.55930%0.299SS*.Hα-helixtrans-58.9-51.117248.80000112.1P586 R590 K591 T592P586-S588 PolarHBondContact O-N 3.08Å; S588-R590 VanDerWaalsContact C-N 3.32Å; S588-R590 PolarHBondContact O-N 3.32Å; S588-K591 PolarHBondContact O-N 3.49Å; S588-T592 PolarHBondContact O-N 3.23Å; S588-T592 PolarHBondContact O-OG1 3.42Å; S588-T592 VanDerWaalsContact O-OG1 3.08Å
589V91.5Very high87.7Confident9 Ų955.9 Ų55.96%0.05531%0.307CS..Hα-helixtrans-59-45176.9177.60000110.4E544 V547 Q548 Y585 P586 K591 T592 V593E544-V589 HydrophobicContact CB-CG1 4.27Å; E544-V589 WeakPolarHBondContact O-CG1 3.22Å; V547-V589 HydrophobicContact CB-CG1 4.29Å; V547-V589 HydrophobicContact CG1-CG1 4.05Å; Q548-V589 HydrophobicContact CB-CG1 4.24Å; Q548-V589 HydrophobicContact CB-CG2 3.81Å; Q548-V589 HydrophobicContact CG-CG2 4.15Å; Y585-V589 HydrophobicContact CD1-CG1 4.2Å; P586-V589 HydrophobicContact CB-CG2 4.14Å; P586-V589 HydrophobicContact CG-CG2 4.18Å; P586-V589 WeakPolarHBondContact O-CB 3.47Å; P586-V589 PolarHBondContact O-N 3.13Å; V589-K591 PolarHBondContact O-N 2.94Å; V589-T592 PolarHBondContact O-N 3.32Å; V589-V593 HydrophobicContact CG1-CG2 4.31Å; V589-V593 WeakPolarHBondContact O-CB 3.27Å; V589-V593 VanDerWaalsContact O-CG2 3.27Å; V589-V593 WeakPolarHBondContact O-CG2 3.06Å; V589-V593 PolarHBondContact O-N 2.9Å
590R90.6Very high87.1Confident73 Ų7353.7 Ų53.728%0.27530%0.297SS..Hα-helixtrans-62.5-41.9178.6-64-162.5-75.6161.6-11.8112.4V581 D583 Y585 P586 E587 S588 A594V581-R590 HydrophobicContact CB-CG 4.01Å; V581-R590 HydrophobicContact CG1-CG 3.84Å; V581-R590 WeakPolarHBondContact O-CD 3.49Å; D583-R590 IonicContact OD1-CZ 3.13Å; D583-R590 IonicContact OD1-NH1 2.67Å; D583-R590 PolarHBondContact OD1-NH1 3.22Å; D583-R590 IonicContact OD1-NH2 2.88Å; D583-R590 PolarHBondContact OD1-NH2 3.47Å; Y585-R590 PolarHBondContact O-NE 3.24Å; P586-R590 PolarHBondContact O-N 3.13Å; E587-R590 PolarHBondContact O-N 3.15Å; S588-R590 VanDerWaalsContact C-N 3.32Å; S588-R590 PolarHBondContact O-N 3.32Å; R590-A594 VanDerWaalsContact O-CB 3.22Å; R590-A594 WeakPolarHBondContact O-CB 3.19Å; R590-A594 PolarHBondContact O-N 3.5Å
591K89.4Confident86.6Confident115 Ų11551.6 Ų51.650%0.529%0.288SS..Hα-helixtrans-63-50.7174.1-77.4174.9177.4170.70111.9E587 S588 V589 V593 A594 M595E587-K591 HydrophobicContact CG-CD 4.46Å; E587-K591 WeakPolarHBondContact O-CB 3.47Å; E587-K591 WeakPolarHBondContact O-CG 3.42Å; E587-K591 PolarHBondContact O-N 3.49Å; E587-K591 WeakPolarHBondContact OE1-CE 3.31Å; E587-K591 IonicContact OE1-NZ 2.74Å; E587-K591 PolarHBondContact OE1-NZ 2.98Å; S588-K591 PolarHBondContact O-N 3.49Å; V589-K591 PolarHBondContact O-N 2.94Å; K591-V593 VanDerWaalsContact C-N 3.34Å; K591-V593 PolarHBondContact O-N 2.94Å; K591-A594 PolarHBondContact O-N 2.9Å; K591-M595 VanDerWaalsContact O-CG 3.3Å; K591-M595 WeakPolarHBondContact O-CG 3.45Å; K591-M595 PolarHBondContact O-N 3.22Å
592T89.7Confident86.5Confident12 Ų1252.7 Ų52.77%0.07429%0.293CS..Hα-helixtrans-62-40.1-179.8-52.70000112.1V547 F552 I554 S588 V589 M595 M596V547-T592 HydrophobicContact CG1-CG2 4.08Å; F552-T592 HydrophobicContact CD1-CG2 4.12Å; I554-T592 HydrophobicContact CD1-CG2 3.97Å; I554-T592 HydrophobicContact CG1-CG2 3.99Å; S588-T592 PolarHBondContact O-N 3.23Å; S588-T592 PolarHBondContact O-OG1 3.42Å; S588-T592 VanDerWaalsContact O-OG1 3.08Å; V589-T592 PolarHBondContact O-N 3.32Å; T592-M595 PolarHBondContact O-N 3.02Å; T592-M596 HydrophobicContact CG2-CE 3.99Å; T592-M596 WeakPolarHBondContact O-CG 3.21Å; T592-M596 PolarHBondContact O-N 3.08Å
593V90Very high86.5Confident0 Ų051.6 Ų51.60%028%0.28CS..Hα-helixtrans-64.9-46.7174.6174.20000110.8L543 E544 V547 N578 V581 V589 K591 M595 M596L543-V593 HydrophobicContact CD2-CG1 4.07Å; L543-V593 HydrophobicContact CG-CG1 4.36Å; L543-V593 HydrophobicContact CG-CG2 4.45Å; E544-V593 HydrophobicContact CB-CG2 4.12Å; V547-V593 HydrophobicContact CB-CG2 4.21Å; V547-V593 HydrophobicContact CG1-CG2 4.44Å; V547-V593 HydrophobicContact CG2-CG2 4.01Å; N578-V593 HydrophobicContact CB-CG1 4.02Å; N578-V593 WeakPolarHBondContact CB-O 3.48Å; V581-V593 HydrophobicContact CG2-CB 4.26Å; V581-V593 HydrophobicContact CG2-CG1 3.77Å; V589-V593 HydrophobicContact CG1-CG2 4.31Å; V589-V593 WeakPolarHBondContact O-CB 3.27Å; V589-V593 VanDerWaalsContact O-CG2 3.27Å; V589-V593 WeakPolarHBondContact O-CG2 3.06Å; V589-V593 PolarHBondContact O-N 2.9Å; K591-V593 VanDerWaalsContact C-N 3.34Å; K591-V593 PolarHBondContact O-N 2.94Å; V593-M595 PolarHBondContact O-N 3.3Å; V593-M596 PolarHBondContact O-N 3.2Å
594A86.8Confident86.4Confident27 Ų2750 Ų5022%0.22327%0.268CS..Hα-helixtrans-62.5-21.917800000114.3N578 L579 R590 K591N578-A594 WeakPolarHBondContact O-CA 3.4Å; L579-A594 HydrophobicContact CD2-CB 3.86Å; R590-A594 VanDerWaalsContact O-CB 3.22Å; R590-A594 WeakPolarHBondContact O-CB 3.19Å; R590-A594 PolarHBondContact O-N 3.5Å; K591-A594 PolarHBondContact O-N 2.9Å
595M85.6Confident86.4Confident58 Ų5845.8 Ų45.829%0.28624%0.239SC..Hα-helixtrans-79.5-21.3172-71.7162.6166.700113.4I554 K591 T592 V593I554-M595 HydrophobicContact CD1-CB 3.83Å; K591-M595 VanDerWaalsContact O-CG 3.3Å; K591-M595 WeakPolarHBondContact O-CG 3.45Å; K591-M595 PolarHBondContact O-N 3.22Å; T592-M595 PolarHBondContact O-N 3.02Å; V593-M595 PolarHBondContact O-N 3.3Å
596M84.8Confident86.4Confident11 Ų1144.3 Ų44.35%0.05423%0.233CC..SBendtrans-76.6128.3-177.9-66.8-164.3-16400112.2L543 V547 F552 I554 N578 T592 V593 E598 L605L543-M596 HydrophobicContact CD1-SD 3.95Å; V547-M596 HydrophobicContact CG2-CE 3.54Å; F552-M596 HydrophobicContact CD1-CE 3.53Å; F552-M596 HydrophobicContact CE1-CE 3.68Å; I554-M596 HydrophobicContact CD1-CE 4.31Å; I554-M596 HydrophobicContact CD1-CG 3.81Å; N578-M596 PolarHBondContact ND2-O 3.43Å; T592-M596 HydrophobicContact CG2-CE 3.99Å; T592-M596 WeakPolarHBondContact O-CG 3.21Å; T592-M596 PolarHBondContact O-N 3.08Å; V593-M596 PolarHBondContact O-N 3.2Å; M596-E598 PolarHBondContact O-N 3.03Å; M596-L605 HydrophobicContact CE-CD2 4.23Å; M596-L605 HydrophobicContact SD-CD2 4.19Å
597P80.7Confident86.2Confident35 Ų3542.7 Ų42.723%0.22722%0.221CC..  trans-70.8127.6173.229.5-34.5000110.6F562 N599F562-P597 HydrophobicContact CD1-CG 3.9Å; F562-P597 HydrophobicContact CE1-CG 3.73Å; P597-N599 PolarHBondContact O-N 2.74Å
598E83.7Confident86.1Confident19 Ų1938.3 Ų38.39%0.08920%0.204CC..THydrogen-bonded Turntrans-62.9-14.2-178.9-83.9-158.290.800115.1N576 L577 N578 M596 K730 W749 R778N576-E598 WeakPolarHBondContact CA-OE2 3.5Å; N576-E598 PolarHBondContact OD1-OE2 2.95Å; L577-E598 PolarHBondContact N-OE2 2.8Å; N578-E598 HydrophobicContact CB-CG 4.28Å; N578-E598 WeakPolarHBondContact ND2-CG 3.38Å; M596-E598 PolarHBondContact O-N 3.03Å; E598-K730 WeakPolarHBondContact O-CE 3.12Å; E598-K730 PolarHBondContact O-NZ 2.87Å; E598-W749 HydrophobicContact CB-CZ2 4.07Å; E598-W749 HydrophobicContact CG-CZ2 4.44Å; E598-W749 WeakPolarHBondContact O-CH2 3.46Å; E598-W749 WeakPolarHBondContact O-CZ2 3.41Å; E598-W749 WeakPolarHBondContact OE1-CZ2 3.49Å; E598-R778 VanDerWaalsContact CD-NH2 3.29Å; E598-R778 IonicContact OE1-CZ 2.71Å; E598-R778 VanDerWaalsContact OE1-CZ 3.31Å; E598-R778 IonicContact OE1-NE 2.7Å; E598-R778 PolarHBondContact OE1-NE 3.3Å; E598-R778 IonicContact OE1-NH2 2.67Å; E598-R778 PolarHBondContact OE1-NH2 2.88Å; E598-R778 VanDerWaalsContact OE1-NH2 3.09Å; E598-R778 IonicContact OE2-CZ 3.47Å; E598-R778 IonicContact OE2-NE 3.67Å; E598-R778 IonicContact OE2-NH2 3.52Å; E598-R778 PolarHBondContact OE2-NH2 3.01Å
599N73.4Confident86.2Confident36 Ų3634.5 Ų34.519%0.19318%0.178CC..THydrogen-bonded Turntrans-100.4-26.9-166.6-68.7-43.3000114.3G172 P597G172-N599 WeakPolarHBondContact O-CB 3.23Å; G172-N599 PolarHBondContact O-OD1 3.48Å; P597-N599 PolarHBondContact O-N 2.74Å
600D73.4Confident85.9Confident63 Ų6334.1 Ų34.134%0.33718%0.175SC..SBendtrans-106.8156.1-177.8-80.339000111.2P173 S174 H175P173-D600 WeakPolarHBondContact CA-OD1 3.41Å; P173-D600 WeakPolarHBondContact CB-OD1 3.29Å; S174-D600 PolarHBondContact N-OD1 2.81Å; H175-D600 IonicContact CE1-OD2 2.92Å; H175-D600 PolarHBondContact CE1-OD2 2.91Å; H175-D600 IonicContact ND1-OD1 3.22Å; H175-D600 IonicContact ND1-OD2 2.69Å; H175-D600 PolarHBondContact ND1-OD2 3.25Å
601S78.2Confident85.5Confident28 Ų2831.9 Ų31.920%0.19617%0.17CC..  trans-96.1109.9-174.8-56.80000110.9F603S601-F603 VanDerWaalsContact O-CD1 3.27Å; S601-F603 WeakPolarHBondContact O-CD1 3.15Å; S601-F603 WeakPolarHBondContact O-CE1 3.45Å; S601-F603 PolarHBondContact O-N 3.3Å
602N85.8Confident85.1Confident43 Ų4328.4 Ų28.423%0.2316%0.156CC..  trans-68103.9177.8-174.3-24.1000111.1F552 E604 L605 I606F552-N602 WeakPolarHBondContact CE1-ND2 3.29Å; N602-E604 VanDerWaalsContact C-N 3.34Å; N602-E604 WeakPolarHBondContact OD1-CB 3.49Å; N602-E604 PolarHBondContact OD1-N 3.26Å; N602-L605 HydrophobicContact CB-CB 4.11Å; N602-L605 PolarHBondContact OD1-N 3.37Å; N602-I606 WeakPolarHBondContact O-CG1 3.38Å; N602-I606 PolarHBondContact O-N 3.28Å
603F89Confident84.5Confident47 Ų4728.5 Ų28.521%0.20616%0.155CC..Hα-helixtrans-72.4-26.3179.9-59.4-27.2000113.4S601 I606 Q607 I631 T634 L635 F638S601-F603 VanDerWaalsContact O-CD1 3.27Å; S601-F603 WeakPolarHBondContact O-CD1 3.15Å; S601-F603 WeakPolarHBondContact O-CE1 3.45Å; S601-F603 PolarHBondContact O-N 3.3Å; F603-I606 HydrophobicContact CD1-CD1 4.44Å; F603-I606 PolarHBondContact O-N 3.34Å; F603-Q607 PolarHBondContact O-N 3.39Å; F603-I631 HydrophobicContact CE1-CG2 3.91Å; F603-I631 HydrophobicContact CZ-CG2 4.12Å; F603-T634 HydrophobicContact CE2-CG2 3.68Å; F603-T634 HydrophobicContact CZ-CG2 4.33Å; F603-L635 HydrophobicContact CB-CD1 3.78Å; F603-L635 HydrophobicContact CD1-CB 4.29Å; F603-L635 HydrophobicContact CD1-CD1 3.79Å; F603-L635 HydrophobicContact CE1-CB 4.28Å; F603-L635 HydrophobicContact CG-CD1 3.85Å; F603-F638 HydrophobicContact CB-CD1 3.94Å; F603-F638 HydrophobicContact CB-CE1 4.02Å; F603-F638 HydrophobicContact CB-CG 4.39Å
604E87.9Confident83.7Confident92 Ų9229.6 Ų29.643%0.4316%0.161SC..Hα-helixtrans-74.3-39.3-179.4-49.6-165.4129.400110.6F552 N602 Q607 A608 F638F552-E604 HydrophobicContact CE2-CB 3.8Å; F552-E604 HydrophobicContact CZ-CB 3.93Å; N602-E604 VanDerWaalsContact C-N 3.34Å; N602-E604 WeakPolarHBondContact OD1-CB 3.49Å; N602-E604 PolarHBondContact OD1-N 3.26Å; E604-Q607 WeakPolarHBondContact O-CB 3.41Å; E604-Q607 PolarHBondContact O-N 3.45Å; E604-A608 WeakPolarHBondContact O-CB 3.31Å; E604-A608 PolarHBondContact O-N 3.03Å; E604-F638 HydrophobicContact CG-CZ 3.93Å
605L91.3Very high83Confident2 Ų231.7 Ų31.71%0.0118%0.178CC..Hα-helixtrans-61.5-43.2168.7-179.563.7000111.1L543 V547 F552 M596 N602 Q607 A608 I609 L773L543-L605 HydrophobicContact CD1-CD2 3.57Å; V547-L605 HydrophobicContact CG2-CD1 4.29Å; V547-L605 HydrophobicContact CG2-CD2 4.48Å; F552-L605 HydrophobicContact CB-CD1 4Å; F552-L605 HydrophobicContact CD1-CD1 4.38Å; F552-L605 HydrophobicContact CD2-CB 4.5Å; F552-L605 HydrophobicContact CD2-CD1 4.31Å; F552-L605 HydrophobicContact CE2-CB 4.41Å; F552-L605 HydrophobicContact CG-CD1 3.97Å; F552-L605 HydrophobicContact CZ-CB 4.46Å; M596-L605 HydrophobicContact CE-CD2 4.23Å; M596-L605 HydrophobicContact SD-CD2 4.19Å; N602-L605 HydrophobicContact CB-CB 4.11Å; N602-L605 PolarHBondContact OD1-N 3.37Å; L605-Q607 VanDerWaalsContact C-N 3.32Å; L605-Q607 PolarHBondContact O-N 2.88Å; L605-A608 PolarHBondContact O-N 2.91Å; L605-A608 VanDerWaalsContact O-N 3.17Å; L605-I609 HydrophobicContact CD1-CD1 4.31Å; L605-I609 HydrophobicContact CD1-CG1 4.26Å; L605-I609 HydrophobicContact CG-CD1 4.06Å; L605-I609 HydrophobicContact CG-CG1 4.47Å; L605-I609 VanDerWaalsContact O-CG1 3.26Å; L605-I609 WeakPolarHBondContact O-CG1 3.38Å; L605-I609 PolarHBondContact O-N 2.7Å; L605-L773 HydrophobicContact CD2-CD2 4.11Å
606I91.2Very high82.5Confident1 Ų134 Ų341%0.00519%0.188CC..Hα-helixtrans-59.9-43.3175.4-66.6169.6000110.9N602 F603 I610 L626 L635 I726 L773N602-I606 WeakPolarHBondContact O-CG1 3.38Å; N602-I606 PolarHBondContact O-N 3.28Å; F603-I606 HydrophobicContact CD1-CD1 4.44Å; F603-I606 PolarHBondContact O-N 3.34Å; I606-I610 HydrophobicContact CG2-CD1 3.86Å; I606-I610 WeakPolarHBondContact O-CD1 3.37Å; I606-I610 VanDerWaalsContact O-CG1 3.25Å; I606-I610 WeakPolarHBondContact O-CG1 3.18Å; I606-I610 PolarHBondContact O-N 3.07Å; I606-I610 VanDerWaalsContact O-N 3.12Å; I606-L626 HydrophobicContact CD1-CD2 4.5Å; I606-L635 HydrophobicContact CD1-CD2 4.32Å; I606-L635 HydrophobicContact CG2-CD1 4.3Å; I606-L635 HydrophobicContact CG2-CD2 4.07Å; I606-I726 HydrophobicContact CG1-CG2 4.23Å; I606-I726 HydrophobicContact CG2-CD1 4.17Å; I606-L773 HydrophobicContact CD1-CD1 4.04Å; I606-L773 HydrophobicContact CG1-CD1 3.71Å
607Q88.8Confident81.9Confident27 Ų2735.8 Ų35.813%0.12621%0.21CC..Hα-helixtrans-60.7-46.5172.9177-172.2-20.300111.6F603 E604 L605 I609 I610 V611 F638 L639 L648F603-Q607 PolarHBondContact O-N 3.39Å; E604-Q607 WeakPolarHBondContact O-CB 3.41Å; E604-Q607 PolarHBondContact O-N 3.45Å; L605-Q607 VanDerWaalsContact C-N 3.32Å; L605-Q607 PolarHBondContact O-N 2.88Å; Q607-I609 PolarHBondContact O-N 3.14Å; Q607-I610 PolarHBondContact O-N 2.85Å; Q607-V611 HydrophobicContact CG-CG2 4.22Å; Q607-V611 WeakPolarHBondContact O-CG2 3.15Å; Q607-V611 PolarHBondContact O-N 3.39Å; Q607-F638 HydrophobicContact CB-CE1 4.03Å; Q607-F638 VanDerWaalsContact OE1-CZ 3.31Å; Q607-L639 HydrophobicContact CB-CD2 4.25Å; Q607-L648 HydrophobicContact CG-CD2 4.09Å; Q607-L648 HydrophobicContact CG-CG 4.14Å
608A87.6Confident81.3Confident26 Ų2636.9 Ų36.922%0.21522%0.215CC..Hα-helixtrans-60.8-43.1-178.100000112.2T550 F552 E604 L605 V611 Q612T550-A608 HydrophobicContact CG2-CB 4.03Å; F552-A608 HydrophobicContact CD2-CB 4.07Å; E604-A608 WeakPolarHBondContact O-CB 3.31Å; E604-A608 PolarHBondContact O-N 3.03Å; L605-A608 PolarHBondContact O-N 2.91Å; L605-A608 VanDerWaalsContact O-N 3.17Å; A608-V611 PolarHBondContact O-N 3.35Å; A608-Q612 WeakPolarHBondContact O-CB 3.24Å; A608-Q612 PolarHBondContact O-N 3.03Å
609I89.9Confident80.8Confident0 Ų043.7 Ų43.70%024%0.244CC..Hα-helixtrans-65.5-42.4176.2-53.2160.6000110.2A546 T550 L605 Q607 Q612 Q613 M724 F771 L773A546-I609 HydrophobicContact CB-CD1 4.03Å; A546-I609 HydrophobicContact CB-CG1 4.43Å; T550-I609 HydrophobicContact CG2-CB 4.29Å; T550-I609 HydrophobicContact CG2-CG1 3.77Å; L605-I609 HydrophobicContact CD1-CD1 4.31Å; L605-I609 HydrophobicContact CD1-CG1 4.26Å; L605-I609 HydrophobicContact CG-CD1 4.06Å; L605-I609 HydrophobicContact CG-CG1 4.47Å; L605-I609 VanDerWaalsContact O-CG1 3.26Å; L605-I609 WeakPolarHBondContact O-CG1 3.38Å; L605-I609 PolarHBondContact O-N 2.7Å; Q607-I609 PolarHBondContact O-N 3.14Å; I609-Q612 PolarHBondContact O-N 3.49Å; I609-Q613 WeakPolarHBondContact O-CG 3.11Å; I609-Q613 PolarHBondContact O-N 3.49Å; I609-M724 HydrophobicContact CB-CE 4.38Å; I609-M724 HydrophobicContact CG2-CE 3.33Å; I609-F771 HydrophobicContact CD1-CD1 4.39Å; I609-F771 HydrophobicContact CD1-CG 4.49Å; I609-F771 HydrophobicContact CG2-CD1 4.09Å; I609-F771 HydrophobicContact CG2-CD2 3.8Å; I609-F771 HydrophobicContact CG2-CE1 3.95Å; I609-F771 HydrophobicContact CG2-CE2 3.64Å; I609-F771 HydrophobicContact CG2-CG 4.02Å; I609-F771 HydrophobicContact CG2-CZ 3.72Å; I609-L773 HydrophobicContact CD1-CD2 3.89Å
610I85.8Confident81Confident1 Ų143.2 Ų43.21%0.00525%0.249CC..Hα-helixtrans-60.4-48.2175.9-70167.4000111I606 Q607 Q612 Q613 I614 I622 L639 L648 I706 I726I606-I610 HydrophobicContact CG2-CD1 3.86Å; I606-I610 WeakPolarHBondContact O-CD1 3.37Å; I606-I610 VanDerWaalsContact O-CG1 3.25Å; I606-I610 WeakPolarHBondContact O-CG1 3.18Å; I606-I610 PolarHBondContact O-N 3.07Å; I606-I610 VanDerWaalsContact O-N 3.12Å; Q607-I610 PolarHBondContact O-N 2.85Å; I610-Q612 VanDerWaalsContact C-N 3.32Å; I610-Q612 PolarHBondContact O-N 3.37Å; I610-Q613 PolarHBondContact O-N 3.35Å; I610-I614 HydrophobicContact CG2-CD1 3.71Å; I610-I614 HydrophobicContact CG2-CG1 4.49Å; I610-I614 WeakPolarHBondContact O-CB 3.09Å; I610-I614 VanDerWaalsContact O-CG1 3.26Å; I610-I614 WeakPolarHBondContact O-CG1 3.43Å; I610-I614 PolarHBondContact O-N 3.18Å; I610-I622 HydrophobicContact CG1-CD1 4.2Å; I610-I622 HydrophobicContact CG2-CD1 4.22Å; I610-L639 HydrophobicContact CD1-CD1 4.23Å; I610-L639 HydrophobicContact CD1-CD2 4.43Å; I610-L648 HydrophobicContact CG2-CD2 4.37Å; I610-I706 HydrophobicContact CG2-CD1 4.07Å; I610-I726 HydrophobicContact CD1-CD1 4.19Å; I610-I726 HydrophobicContact CG1-CD1 3.74Å
611V82.1Confident81.6Confident27 Ų2740.3 Ų40.316%0.16423%0.233CC..Hα-helixtrans-58-44.4176.5169.80000111Q607 A608 I614 A615 L648 Y650Q607-V611 HydrophobicContact CG-CG2 4.22Å; Q607-V611 WeakPolarHBondContact O-CG2 3.15Å; Q607-V611 PolarHBondContact O-N 3.39Å; A608-V611 PolarHBondContact O-N 3.35Å; V611-I614 PolarHBondContact O-N 3.04Å; V611-A615 WeakPolarHBondContact O-CB 3.35Å; V611-A615 PolarHBondContact O-N 3.4Å; V611-L648 HydrophobicContact CG2-CD2 3.57Å; V611-L648 HydrophobicContact CG2-CG 4.49Å; V611-Y650 HydrophobicContact CG1-CD2 4.18Å; V611-Y650 HydrophobicContact CG1-CE2 3.94Å
612Q82.1Confident82.2Confident42 Ų4239.3 Ų39.320%0.19623%0.225CC..Hα-helixtrans-64-43.9179.3-177172.935.900112.4M549 T550 A608 I609 I610 I614 A615 Q616M549-Q612 PolarHBondContact O-NE2 2.81Å; M549-Q612 PolarHBondContact O-OE1 3.15Å; T550-Q612 HydrophobicContact CG2-CB 4.46Å; A608-Q612 WeakPolarHBondContact O-CB 3.24Å; A608-Q612 PolarHBondContact O-N 3.03Å; I609-Q612 PolarHBondContact O-N 3.49Å; I610-Q612 VanDerWaalsContact C-N 3.32Å; I610-Q612 PolarHBondContact O-N 3.37Å; Q612-I614 VanDerWaalsContact C-N 3.33Å; Q612-I614 PolarHBondContact O-N 3.22Å; Q612-A615 PolarHBondContact O-N 2.78Å; Q612-Q616 WeakPolarHBondContact O-CG 3.46Å; Q612-Q616 PolarHBondContact O-N 2.8Å
613Q76.4Confident82.5Confident13 Ų1337.3 Ų37.36%0.06122%0.215CC..Hα-helixtrans-68.2-33.7178.9-67.6-57.5-6900112.4I609 I610 Q616 G617 V618 M724I609-Q613 WeakPolarHBondContact O-CG 3.11Å; I609-Q613 PolarHBondContact O-N 3.49Å; I610-Q613 PolarHBondContact O-N 3.35Å; Q613-Q616 PolarHBondContact O-N 2.68Å; Q613-G617 PolarHBondContact O-N 3.2Å; Q613-V618 PolarHBondContact O-N 3.06Å; Q613-M724 HydrophobicContact CB-SD 4.17Å; Q613-M724 HydrophobicContact CG-CE 3.68Å; Q613-M724 HydrophobicContact CG-SD 3.75Å
614I72.8Confident82.8Confident23 Ų2335.1 Ų35.112%0.11821%0.205CC..Hα-helixtrans-62.5-46.4169.8-71.4167.8000110.8I610 V611 Q612 Q616 G617 L654 L704I610-I614 HydrophobicContact CG2-CD1 3.71Å; I610-I614 HydrophobicContact CG2-CG1 4.49Å; I610-I614 WeakPolarHBondContact O-CB 3.09Å; I610-I614 VanDerWaalsContact O-CG1 3.26Å; I610-I614 WeakPolarHBondContact O-CG1 3.43Å; I610-I614 PolarHBondContact O-N 3.18Å; V611-I614 PolarHBondContact O-N 3.04Å; Q612-I614 VanDerWaalsContact C-N 3.33Å; Q612-I614 PolarHBondContact O-N 3.22Å; I614-Q616 VanDerWaalsContact C-N 3.27Å; I614-Q616 PolarHBondContact O-N 2.86Å; I614-G617 PolarHBondContact O-N 2.95Å; I614-L654 HydrophobicContact CG2-CD1 3.41Å; I614-L654 VanDerWaalsContact CG2-CD1 3.41Å; I614-L704 HydrophobicContact CD1-CD2 3.58Å; I614-L704 HydrophobicContact CG1-CD2 3.57Å
615A73.4Confident83.2Confident71 Ų7130.8 Ų30.859%0.58719%0.185SC*.Hα-helixtrans-65.5-28.8177.900000113.1V611 Q612 G617V611-A615 WeakPolarHBondContact O-CB 3.35Å; V611-A615 PolarHBondContact O-N 3.4Å; Q612-A615 PolarHBondContact O-N 2.78Å; A615-G617 PolarHBondContact O-N 3.46Å
616Q75.3Confident83.3Confident107 Ų10730.8 Ų30.850%0.519%0.185SC..THydrogen-bonded Turntrans-77.4-3.3171.9-71.4174.9-0.300113.5Q612 Q613 I614 V618Q612-Q616 WeakPolarHBondContact O-CG 3.46Å; Q612-Q616 PolarHBondContact O-N 2.8Å; Q613-Q616 PolarHBondContact O-N 2.68Å; I614-Q616 VanDerWaalsContact C-N 3.27Å; I614-Q616 PolarHBondContact O-N 2.86Å; Q616-V618 VanDerWaalsContact C-N 3.34Å; Q616-V618 HydrophobicContact CB-CG2 4.24Å; Q616-V618 PolarHBondContact O-N 3.43Å
617G70.2Confident83.2Confident49 Ų4931.3 Ų31.351%0.50519%0.188SC..THydrogen-bonded Turntrans72.820.8173.400000115.1Q613 I614 A615Q613-G617 PolarHBondContact O-N 3.2Å; I614-G617 PolarHBondContact O-N 2.95Å; A615-G617 PolarHBondContact O-N 3.46Å
618V68.7Low82.9Confident57 Ų5730.3 Ų30.335%0.34519%0.185SC..  trans-64.7132.8-177.7-179.40000110.9Q613 Q616 V723Q613-V618 PolarHBondContact O-N 3.06Å; Q616-V618 VanDerWaalsContact C-N 3.34Å; Q616-V618 HydrophobicContact CB-CG2 4.24Å; Q616-V618 PolarHBondContact O-N 3.43Å; V618-V723 HydrophobicContact CG1-CB 4.49Å; V618-V723 HydrophobicContact CG1-CG1 3.76Å
619K73.1Confident82.5Confident162 Ų16232.6 Ų32.670%0.70419%0.188SC*.  trans-109.7102.7-175.7-65.6179.9-176.8174.50111.9Q766K619-Q766 PolarHBondContact O-NE2 3.4Å
620G78.8Confident81.7Confident27 Ų2737.6 Ų37.628%0.27822%0.215SC..SBendtrans163.2178173.200000112L704 D721G620-L704 VanDerWaalsContact O-CD1 3.22Å; G620-L704 WeakPolarHBondContact O-CD1 2.99Å; G620-D721 CarbonylContact C-O 3.57Å; G620-D721 WeakPolarHBondContact CA-O 3.49Å
621S86.2Confident81.7Confident1 Ų140 Ų401%0.00723%0.227CC..EExtended strand (participates in β ladder)trans-71.8148.4175.3-840000112.8Q705 D721 V722 V723 M724S621-Q705 WeakPolarHBondContact CA-O 3.45Å; S621-Q705 WeakPolarHBondContact OG-CB 3.37Å; S621-Q705 VanDerWaalsContact OG-CG 3.31Å; S621-Q705 WeakPolarHBondContact OG-CG 3.06Å; S621-D721 VanDerWaalsContact CB-OD2 3.23Å; S621-D721 WeakPolarHBondContact CB-OD2 3.19Å; S621-D721 PolarHBondContact N-O 3.03Å; S621-D721 VanDerWaalsContact OG-CG 3.28Å; S621-D721 PolarHBondContact OG-OD1 2.75Å; S621-D721 PolarHBondContact OG-OD2 3.16Å; S621-V722 WeakPolarHBondContact O-CA 3.1Å; S621-V723 PolarHBondContact O-N 2.81Å; S621-M724 PolarHBondContact O-N 2.69Å
622I89.9Confident81.8Confident7 Ų738.7 Ų38.74%0.03622%0.219CC..EExtended strand (participates in β ladder)trans-103.6129.3168.3-55179.2000108.4I610 V624 L704 Q705 I706 I707 M724 I726I610-I622 HydrophobicContact CG1-CD1 4.2Å; I610-I622 HydrophobicContact CG2-CD1 4.22Å; I622-V624 HydrophobicContact CG2-CG2 4.12Å; I622-L704 HydrophobicContact CD1-CD1 4.3Å; I622-L704 HydrophobicContact CD1-CD2 4Å; I622-L704 HydrophobicContact CG1-CD1 4.24Å; I622-Q705 PolarHBondContact N-O 2.64Å; I622-I706 HydrophobicContact CB-CG1 4.42Å; I622-I706 HydrophobicContact CD1-CG1 4.4Å; I622-I706 WeakPolarHBondContact O-CA 3.32Å; I622-I707 PolarHBondContact O-N 2.84Å; I622-M724 WeakPolarHBondContact CA-O 3.39Å; I622-M724 HydrophobicContact CB-SD 4.29Å; I622-M724 HydrophobicContact CD1-SD 3.75Å; I622-M724 HydrophobicContact CG1-CB 4.17Å; I622-M724 HydrophobicContact CG1-SD 3.77Å; I622-M724 HydrophobicContact CG2-CB 4.4Å; I622-M724 HydrophobicContact CG2-CG 4.34Å; I622-M724 HydrophobicContact CG2-SD 3.66Å; I622-I726 HydrophobicContact CG2-CD1 4.09Å; I622-I726 HydrophobicContact CG2-CG1 4.31Å
623L93.2Very high81.7Confident2 Ų238 Ų381%0.0122%0.217CC..EExtended strand (participates in β ladder)trans-112.6117.7175.5178.461.8000110.3F625 I707 A709 A713 V722 M724 V725 I726 R761L623-F625 HydrophobicContact CD2-CD2 4.49Å; L623-F625 HydrophobicContact CD2-CE2 3.58Å; L623-F625 HydrophobicContact CD2-CZ 3.76Å; L623-F625 HydrophobicContact CG-CD2 4.33Å; L623-F625 HydrophobicContact CG-CE2 3.89Å; L623-F625 HydrophobicContact CG-CZ 4.29Å; L623-I707 HydrophobicContact CD1-CB 3.83Å; L623-I707 HydrophobicContact CD1-CG2 3.67Å; L623-A709 HydrophobicContact CD1-CB 3.69Å; L623-A713 HydrophobicContact CD1-CB 4.24Å; L623-A713 HydrophobicContact CD2-CB 4.32Å; L623-V722 HydrophobicContact CB-CG1 3.82Å; L623-V722 HydrophobicContact CB-CG2 4.17Å; L623-V722 HydrophobicContact CD2-CG1 4.46Å; L623-M724 PolarHBondContact N-O 2.94Å; L623-V725 HydrophobicContact CB-CG2 4.38Å; L623-V725 CarbonylContact O-C 3.59Å; L623-V725 VanDerWaalsContact O-CA 3.31Å; L623-V725 WeakPolarHBondContact O-CA 3.2Å; L623-I726 PolarHBondContact O-N 3.07Å; L623-R761 HydrophobicContact CD2-CB 3.75Å; L623-R761 HydrophobicContact CD2-CG 4.08Å
624V94.9Very high81.9Confident0 Ų040.5 Ų40.50%023%0.233CC..EExtended strand (participates in β ladder)trans-107.1113.3-178.6-168.70000109.7I622 L626 L635 I706 I707 L708 A709 I726I622-V624 HydrophobicContact CG2-CG2 4.12Å; V624-L626 HydrophobicContact CG1-CD1 4.26Å; V624-L626 HydrophobicContact CG1-CD2 3.94Å; V624-L626 HydrophobicContact CG1-CG 3.97Å; V624-L635 HydrophobicContact CG1-CD2 4.18Å; V624-I706 HydrophobicContact CG2-CG2 4.26Å; V624-I707 PolarHBondContact N-O 3.29Å; V624-L708 HydrophobicContact CB-CD2 3.7Å; V624-L708 HydrophobicContact CG1-CD2 4.35Å; V624-L708 HydrophobicContact CG2-CD2 3.68Å; V624-A709 PolarHBondContact O-N 3.02Å; V624-I726 CarbonylContact C-O 3.51Å; V624-I726 VanDerWaalsContact CA-O 3.3Å; V624-I726 WeakPolarHBondContact CA-O 3.35Å; V624-I726 HydrophobicContact CG1-CB 4.17Å; V624-I726 HydrophobicContact CG1-CG2 4.28Å; V624-I726 HydrophobicContact CG2-CB 4.3Å; V624-I726 HydrophobicContact CG2-CD1 4.25Å
625F95.8Very high82.5Confident1 Ų139.4 Ų39.40%0.00423%0.227CC..EExtended strand (participates in β ladder)trans-85.9119.3176-78.5-80.3000111.5L623 T710 A713 E714 V725 I726 S728 R758 R761L623-F625 HydrophobicContact CD2-CD2 4.49Å; L623-F625 HydrophobicContact CD2-CE2 3.58Å; L623-F625 HydrophobicContact CD2-CZ 3.76Å; L623-F625 HydrophobicContact CG-CD2 4.33Å; L623-F625 HydrophobicContact CG-CE2 3.89Å; L623-F625 HydrophobicContact CG-CZ 4.29Å; F625-T710 WeakPolarHBondContact CE1-O 3.21Å; F625-A713 HydrophobicContact CE1-CB 3.82Å; F625-A713 HydrophobicContact CZ-CB 3.95Å; F625-E714 HydrophobicContact CE1-CB 4.04Å; F625-V725 HydrophobicContact CD2-CG1 3.82Å; F625-V725 HydrophobicContact CE2-CG1 4.02Å; F625-I726 PolarHBondContact N-O 3.36Å; F625-S728 VanDerWaalsContact O-CB 3.29Å; F625-S728 WeakPolarHBondContact O-CB 3.42Å; F625-S728 PolarHBondContact O-N 2.94Å; F625-S728 VanDerWaalsContact O-N 3.13Å; F625-S728 PolarHBondContact O-OG 2.97Å; F625-R758 HydrophobicContact CD1-CG 3.99Å; F625-R758 HydrophobicContact CD2-CB 3.75Å; F625-R758 HydrophobicContact CD2-CG 3.72Å; F625-R758 HydrophobicContact CE1-CG 3.97Å; F625-R758 HydrophobicContact CE2-CB 3.62Å; F625-R758 HydrophobicContact CE2-CG 3.69Å; F625-R758 HydrophobicContact CG-CB 4.39Å; F625-R758 HydrophobicContact CG-CG 3.87Å; F625-R758 HydrophobicContact CZ-CB 4.17Å; F625-R758 HydrophobicContact CZ-CG 3.82Å; F625-R761 HydrophobicContact CE2-CG 4.3Å; F625-R761 HydrophobicContact CZ-CG 4.06Å
626L93.5Very high83Confident3 Ų337.4 Ų37.42%0.01621%0.206CC..  trans-129.9145.2-176.2-60.3171.4000110.2I606 V624 G628 I631 I632 L635 L708 A709 T710I606-L626 HydrophobicContact CD1-CD2 4.5Å; V624-L626 HydrophobicContact CG1-CD1 4.26Å; V624-L626 HydrophobicContact CG1-CD2 3.94Å; V624-L626 HydrophobicContact CG1-CG 3.97Å; L626-G628 PolarHBondContact O-N 3.26Å; L626-G628 VanDerWaalsContact O-N 3.08Å; L626-I631 HydrophobicContact CB-CG2 4.17Å; L626-I631 HydrophobicContact CD1-CG2 4.31Å; L626-I631 HydrophobicContact CD2-CG2 4.02Å; L626-I631 HydrophobicContact CG-CG2 4.39Å; L626-I632 HydrophobicContact CB-CG1 3.96Å; L626-I632 HydrophobicContact CD1-CB 4.45Å; L626-I632 HydrophobicContact CD1-CG1 3.82Å; L626-I632 HydrophobicContact CG-CG1 4.49Å; L626-L635 HydrophobicContact CD1-CB 4.41Å; L626-L635 HydrophobicContact CD1-CD2 3.8Å; L626-L635 HydrophobicContact CD2-CD2 4.42Å; L626-L708 HydrophobicContact CD1-CB 4.41Å; L626-A709 PolarHBondContact N-O 3.03Å; L626-T710 WeakPolarHBondContact O-CA 3.22Å
627P88.2Confident83.1Confident12 Ų1236.5 Ų36.58%0.07820%0.198CC..SBendtrans-71.9-5.6-171.726.7-33.9000114.7I631 K730 K732 T747P627-I631 HydrophobicContact CG-CD1 3.77Å; P627-K730 HydrophobicContact CB-CB 3.96Å; P627-K730 HydrophobicContact CG-CB 3.94Å; P627-K732 HydrophobicContact CB-CB 4.15Å; P627-K732 WeakPolarHBondContact O-CB 3.32Å; P627-T747 HydrophobicContact CB-CG2 4.02Å; P627-T747 HydrophobicContact CG-CG2 4.1Å
628G83.3Confident83.8Confident5 Ų536.3 Ų36.35%0.05218%0.183CC..SBendtrans167.8171.6171.400000116.9L626 N630 I631 I632L626-G628 PolarHBondContact O-N 3.26Å; L626-G628 VanDerWaalsContact O-N 3.08Å; G628-N630 VanDerWaalsContact C-N 3.35Å; G628-N630 PolarHBondContact O-N 3.14Å; G628-N630 VanDerWaalsContact O-N 3.1Å; G628-I631 PolarHBondContact O-N 2.91Å; G628-I632 PolarHBondContact O-N 3.48Å; G628-I632 VanDerWaalsContact O-N 3.15Å
629W78.7Confident84.4Confident74 Ų7433.6 Ų33.628%0.2817%0.167SC..Hα-helixtrans-41.3-48.1-173.4-172.4-114.5000116.4I631 I632 I633 P663 H665 L668W629-I631 VanDerWaalsContact C-N 3.26Å; W629-I631 PolarHBondContact O-N 2.94Å; W629-I632 PolarHBondContact O-N 3.06Å; W629-I633 HydrophobicContact CD2-CG1 3.95Å; W629-I633 HydrophobicContact CE3-CG1 4.34Å; W629-I633 HydrophobicContact CG-CG1 4.5Å; W629-I633 HydrophobicContact CH2-CD1 3.75Å; W629-I633 HydrophobicContact CH2-CG1 4.05Å; W629-I633 HydrophobicContact CZ2-CD1 3.68Å; W629-I633 HydrophobicContact CZ2-CG1 3.64Å; W629-I633 HydrophobicContact CZ3-CD1 4.3Å; W629-I633 HydrophobicContact CZ3-CG1 4.39Å; W629-I633 WeakPolarHBondContact O-CG1 3.25Å; W629-I633 PolarHBondContact O-N 2.94Å; W629-P663 HydrophobicContact CZ3-CB 4.12Å; W629-H665 HydrophobicContact CE3-CB 3.81Å; W629-H665 AromaticContact CE3-CD2 3.98Å; W629-H665 HydrophobicContact CZ3-CB 4.14Å; W629-H665 PolarHBondContact N-CD2 3.19Å; W629-H665 PolarHBondContact N-NE2 2.92Å; W629-L668 HydrophobicContact CH2-CD2 3.7Å; W629-L668 HydrophobicContact CH2-CG 4.19Å; W629-L668 HydrophobicContact CZ3-CD1 4.17Å; W629-L668 HydrophobicContact CZ3-CD2 3.99Å; W629-L668 HydrophobicContact CZ3-CG 3.94Å
630N74.3Confident84.7Confident105 Ų10529.6 Ų29.656%0.56115%0.151SC*.Hα-helixtrans-62-33-178.1-69.2-16.4000113G628 T634G628-N630 VanDerWaalsContact C-N 3.35Å; G628-N630 PolarHBondContact O-N 3.14Å; G628-N630 VanDerWaalsContact O-N 3.1Å; N630-T634 WeakPolarHBondContact O-CB 3.44Å; N630-T634 PolarHBondContact O-N 2.98Å; N630-T634 VanDerWaalsContact O-N 3.14Å; N630-T634 PolarHBondContact O-OG1 3Å
631I83.9Confident84.5Confident51 Ų5132.3 Ų32.326%0.26216%0.162SC..Hα-helixtrans-84-39.6-179.2-70.8162.2000109.6F603 L626 P627 G628 W629 I633 T634 L635F603-I631 HydrophobicContact CE1-CG2 3.91Å; F603-I631 HydrophobicContact CZ-CG2 4.12Å; L626-I631 HydrophobicContact CB-CG2 4.17Å; L626-I631 HydrophobicContact CD1-CG2 4.31Å; L626-I631 HydrophobicContact CD2-CG2 4.02Å; L626-I631 HydrophobicContact CG-CG2 4.39Å; P627-I631 HydrophobicContact CG-CD1 3.77Å; G628-I631 PolarHBondContact O-N 2.91Å; W629-I631 VanDerWaalsContact C-N 3.26Å; W629-I631 PolarHBondContact O-N 2.94Å; I631-I633 PolarHBondContact O-N 2.84Å; I631-T634 PolarHBondContact O-N 3.45Å; I631-L635 WeakPolarHBondContact O-CB 3.23Å; I631-L635 PolarHBondContact O-N 3.25Å
632I86Confident83.9Confident0 Ų036.1 Ų36.10%018%0.176CC..Hα-helixtrans-51.9-53.2168.8-72.7163.3000110.7L626 G628 W629 T634 L635 Q636 P663 L708 T710L626-I632 HydrophobicContact CB-CG1 3.96Å; L626-I632 HydrophobicContact CD1-CB 4.45Å; L626-I632 HydrophobicContact CD1-CG1 3.82Å; L626-I632 HydrophobicContact CG-CG1 4.49Å; G628-I632 PolarHBondContact O-N 3.48Å; G628-I632 VanDerWaalsContact O-N 3.15Å; W629-I632 PolarHBondContact O-N 3.06Å; I632-T634 PolarHBondContact O-N 2.99Å; I632-L635 PolarHBondContact O-N 2.74Å; I632-Q636 VanDerWaalsContact O-CB 3.26Å; I632-Q636 WeakPolarHBondContact O-CB 3.29Å; I632-Q636 PolarHBondContact O-N 2.71Å; I632-P663 HydrophobicContact CG2-CB 3.59Å; I632-L708 WeakPolarHBondContact CD1-O 3.33Å; I632-L708 HydrophobicContact CG1-CB 4.42Å; I632-L708 HydrophobicContact CG2-CB 3.89Å; I632-T710 HydrophobicContact CD1-CG2 3.58Å
633I79.2Confident82.9Confident28 Ų2838.6 Ų38.614%0.14419%0.189CC..Hα-helixtrans-71.8-29.2-177.5-68.2-61.9000113W629 I631 R637 L894W629-I633 HydrophobicContact CD2-CG1 3.95Å; W629-I633 HydrophobicContact CE3-CG1 4.34Å; W629-I633 HydrophobicContact CG-CG1 4.5Å; W629-I633 HydrophobicContact CH2-CD1 3.75Å; W629-I633 HydrophobicContact CH2-CG1 4.05Å; W629-I633 HydrophobicContact CZ2-CD1 3.68Å; W629-I633 HydrophobicContact CZ2-CG1 3.64Å; W629-I633 HydrophobicContact CZ3-CD1 4.3Å; W629-I633 HydrophobicContact CZ3-CG1 4.39Å; W629-I633 WeakPolarHBondContact O-CG1 3.25Å; W629-I633 PolarHBondContact O-N 2.94Å; I631-I633 PolarHBondContact O-N 2.84Å; I633-R637 VanDerWaalsContact O-CG 3.28Å; I633-R637 WeakPolarHBondContact O-CG 3.34Å; I633-R637 PolarHBondContact O-N 2.89Å; I633-L894 HydrophobicContact CG2-CD2 4.3Å
634T80.3Confident81.5Confident66 Ų6642.7 Ų42.741%0.40522%0.223SC..Hα-helixtrans-73.6-44.5174.6-54.30000111.3F603 N630 I631 I632 R637 F638F603-T634 HydrophobicContact CE2-CG2 3.68Å; F603-T634 HydrophobicContact CZ-CG2 4.33Å; N630-T634 WeakPolarHBondContact O-CB 3.44Å; N630-T634 PolarHBondContact O-N 2.98Å; N630-T634 VanDerWaalsContact O-N 3.14Å; N630-T634 PolarHBondContact O-OG1 3Å; I631-T634 PolarHBondContact O-N 3.45Å; I632-T634 PolarHBondContact O-N 2.99Å; T634-R637 PolarHBondContact O-N 3.25Å; T634-F638 PolarHBondContact O-N 2.92Å
635L85.7Confident80Confident0 Ų046.5 Ų46.50%024%0.244CC..Hα-helixtrans-64.8-40.1174.6-178.767.9000111.4F603 I606 V624 L626 I631 I632 R637 F638 L639 L708F603-L635 HydrophobicContact CB-CD1 3.78Å; F603-L635 HydrophobicContact CD1-CB 4.29Å; F603-L635 HydrophobicContact CD1-CD1 3.79Å; F603-L635 HydrophobicContact CE1-CB 4.28Å; F603-L635 HydrophobicContact CG-CD1 3.85Å; I606-L635 HydrophobicContact CD1-CD2 4.32Å; I606-L635 HydrophobicContact CG2-CD1 4.3Å; I606-L635 HydrophobicContact CG2-CD2 4.07Å; V624-L635 HydrophobicContact CG1-CD2 4.18Å; L626-L635 HydrophobicContact CD1-CB 4.41Å; L626-L635 HydrophobicContact CD1-CD2 3.8Å; L626-L635 HydrophobicContact CD2-CD2 4.42Å; I631-L635 WeakPolarHBondContact O-CB 3.23Å; I631-L635 PolarHBondContact O-N 3.25Å; I632-L635 PolarHBondContact O-N 2.74Å; L635-R637 VanDerWaalsContact C-N 3.35Å; L635-R637 PolarHBondContact O-N 2.93Å; L635-F638 HydrophobicContact CD1-CD1 4.22Å; L635-F638 WeakPolarHBondContact O-CB 3.48Å; L635-F638 PolarHBondContact O-N 3.35Å; L635-F638 VanDerWaalsContact O-N 3.15Å; L635-L639 HydrophobicContact CD1-CD1 4.18Å; L635-L639 HydrophobicContact CD1-CD2 4.5Å; L635-L639 HydrophobicContact CD1-CG 4.09Å; L635-L639 HydrophobicContact CD2-CD1 4.33Å; L635-L639 HydrophobicContact CG-CD1 3.92Å; L635-L639 HydrophobicContact CG-CG 4.21Å; L635-L639 WeakPolarHBondContact O-CG 3.37Å; L635-L639 PolarHBondContact O-N 3.36Å; L635-L708 HydrophobicContact CD2-CD2 3.96Å
636Q83.5Confident78.1Confident28 Ų2847.8 Ų47.813%0.13126%0.257CS..Hα-helixtrans-55-50.6175.2-175.4174.5-18.800110.9I632 F638 L639 E640 L661 L708I632-Q636 VanDerWaalsContact O-CB 3.26Å; I632-Q636 WeakPolarHBondContact O-CB 3.29Å; I632-Q636 PolarHBondContact O-N 2.71Å; Q636-F638 VanDerWaalsContact C-N 3.32Å; Q636-F638 PolarHBondContact O-N 3.33Å; Q636-L639 PolarHBondContact O-N 3.05Å; Q636-E640 HydrophobicContact CG-CG 4.28Å; Q636-E640 WeakPolarHBondContact CG-OE1 3.01Å; Q636-E640 PolarHBondContact NE2-OE1 2.77Å; Q636-E640 WeakPolarHBondContact O-CB 3.37Å; Q636-E640 VanDerWaalsContact O-CG 3.25Å; Q636-E640 WeakPolarHBondContact O-CG 3.49Å; Q636-E640 PolarHBondContact O-N 3.44Å; Q636-L661 HydrophobicContact CG-CB 4.2Å; Q636-L661 HydrophobicContact CG-CD1 4.5Å; Q636-L708 HydrophobicContact CB-CD1 3.75Å; Q636-L708 HydrophobicContact CG-CD1 4.41Å
637R78Confident76.2Confident89 Ų8950.5 Ų50.534%0.33628%0.276SS..Hα-helixtrans-59.1-41.6175.7-73174.8-147.2-158-1.5113.2I633 T634 L635 E640 T641 L894I633-R637 VanDerWaalsContact O-CG 3.28Å; I633-R637 WeakPolarHBondContact O-CG 3.34Å; I633-R637 PolarHBondContact O-N 2.89Å; T634-R637 PolarHBondContact O-N 3.25Å; L635-R637 VanDerWaalsContact C-N 3.35Å; L635-R637 PolarHBondContact O-N 2.93Å; R637-E640 PolarHBondContact O-N 2.89Å; R637-T641 VanDerWaalsContact O-CB 3.31Å; R637-T641 WeakPolarHBondContact O-CB 3.4Å; R637-T641 PolarHBondContact O-N 3.36Å; R637-T641 PolarHBondContact O-OG1 3.07Å; R637-L894 HydrophobicContact CG-CD1 3.81Å; R637-L894 PolarHBondContact NH1-O 2.8Å
638F83.7Confident74.6Confident44 Ų4450.7 Ų50.719%0.19328%0.276CS..Hα-helixtrans-61.4-50.7-179.7179.9-102.4000109.7F603 E604 Q607 T634 L635 Q636 T641 R642F603-F638 HydrophobicContact CB-CD1 3.94Å; F603-F638 HydrophobicContact CB-CE1 4.02Å; F603-F638 HydrophobicContact CB-CG 4.39Å; E604-F638 HydrophobicContact CG-CZ 3.93Å; Q607-F638 HydrophobicContact CB-CE1 4.03Å; Q607-F638 VanDerWaalsContact OE1-CZ 3.31Å; T634-F638 PolarHBondContact O-N 2.92Å; L635-F638 HydrophobicContact CD1-CD1 4.22Å; L635-F638 WeakPolarHBondContact O-CB 3.48Å; L635-F638 PolarHBondContact O-N 3.35Å; L635-F638 VanDerWaalsContact O-N 3.15Å; Q636-F638 VanDerWaalsContact C-N 3.32Å; Q636-F638 PolarHBondContact O-N 3.33Å; F638-T641 PolarHBondContact O-N 3.42Å; F638-R642 HydrophobicContact CZ-CG 4.4Å; F638-R642 WeakPolarHBondContact O-CB 3.26Å; F638-R642 VanDerWaalsContact O-CG 3.28Å; F638-R642 WeakPolarHBondContact O-CG 3.35Å; F638-R642 PolarHBondContact O-N 2.98Å
639L82.7Confident72.7Confident1 Ų153.3 Ų53.31%0.00529%0.291CS..Hα-helixtrans-65.4-40.2176.1-61.2175.1000112.6Q607 I610 L635 Q636 T641 R642 L643 L648 L661Q607-L639 HydrophobicContact CB-CD2 4.25Å; I610-L639 HydrophobicContact CD1-CD1 4.23Å; I610-L639 HydrophobicContact CD1-CD2 4.43Å; L635-L639 HydrophobicContact CD1-CD1 4.18Å; L635-L639 HydrophobicContact CD1-CD2 4.5Å; L635-L639 HydrophobicContact CD1-CG 4.09Å; L635-L639 HydrophobicContact CD2-CD1 4.33Å; L635-L639 HydrophobicContact CG-CD1 3.92Å; L635-L639 HydrophobicContact CG-CG 4.21Å; L635-L639 WeakPolarHBondContact O-CG 3.37Å; L635-L639 PolarHBondContact O-N 3.36Å; Q636-L639 PolarHBondContact O-N 3.05Å; L639-T641 VanDerWaalsContact C-N 3.35Å; L639-T641 PolarHBondContact O-N 2.92Å; L639-R642 PolarHBondContact O-N 2.85Å; L639-L643 WeakPolarHBondContact O-CB 3.41Å; L639-L643 WeakPolarHBondContact O-CD1 3.03Å; L639-L643 WeakPolarHBondContact O-CG 3.42Å; L639-L643 PolarHBondContact O-N 2.8Å; L639-L648 HydrophobicContact CB-CD1 4.21Å; L639-L648 HydrophobicContact CD2-CD1 3.82Å; L639-L648 WeakPolarHBondContact O-CD1 3.31Å; L639-L661 HydrophobicContact CB-CD1 3.82Å; L639-L661 HydrophobicContact CB-CD2 4.15Å; L639-L661 HydrophobicContact CD1-CD2 3.72Å
640E78.4Confident71.2Confident78 Ų7856.8 Ų56.836%0.36431%0.306SS..Hα-helixtrans-60.5-42.3173.9-77.1170.4172.500112Q636 R637 L643 A644 L661Q636-E640 HydrophobicContact CG-CG 4.28Å; Q636-E640 WeakPolarHBondContact CG-OE1 3.01Å; Q636-E640 PolarHBondContact NE2-OE1 2.77Å; Q636-E640 WeakPolarHBondContact O-CB 3.37Å; Q636-E640 VanDerWaalsContact O-CG 3.25Å; Q636-E640 WeakPolarHBondContact O-CG 3.49Å; Q636-E640 PolarHBondContact O-N 3.44Å; R637-E640 PolarHBondContact O-N 2.89Å; E640-L643 PolarHBondContact O-N 2.94Å; E640-A644 WeakPolarHBondContact O-CB 3.32Å; E640-A644 PolarHBondContact O-N 2.99Å; E640-L661 HydrophobicContact CG-CD1 3.69Å
641T75.4Confident69.6Low84 Ų8455.9 Ų55.952%0.51531%0.312SS..Hα-helixtrans-67.3-45.1178.2-540000110.4R637 F638 L639 L643 A644 D645R637-T641 VanDerWaalsContact O-CB 3.31Å; R637-T641 WeakPolarHBondContact O-CB 3.4Å; R637-T641 PolarHBondContact O-N 3.36Å; R637-T641 PolarHBondContact O-OG1 3.07Å; F638-T641 PolarHBondContact O-N 3.42Å; L639-T641 VanDerWaalsContact C-N 3.35Å; L639-T641 PolarHBondContact O-N 2.92Å; T641-L643 VanDerWaalsContact C-N 3.3Å; T641-L643 PolarHBondContact O-N 3.14Å; T641-A644 PolarHBondContact O-N 3.21Å; T641-A644 VanDerWaalsContact O-N 3.07Å; T641-D645 PolarHBondContact O-N 3.13Å
642R74Confident67.6Low80 Ų8058.2 Ų58.230%0.30233%0.333SS..Hα-helixtrans-68.9-24.5177.6-66.2-58-163.1-1697.9113.5F638 L639 D645 S647 L648F638-R642 HydrophobicContact CZ-CG 4.4Å; F638-R642 WeakPolarHBondContact O-CB 3.26Å; F638-R642 VanDerWaalsContact O-CG 3.28Å; F638-R642 WeakPolarHBondContact O-CG 3.35Å; F638-R642 PolarHBondContact O-N 2.98Å; L639-R642 PolarHBondContact O-N 2.85Å; R642-D645 WeakPolarHBondContact CA-OD1 3.25Å; R642-D645 WeakPolarHBondContact CD-OD2 3.35Å; R642-D645 IonicContact CZ-OD2 3.73Å; R642-D645 IonicContact NH1-OD2 2.88Å; R642-D645 PolarHBondContact NH1-OD2 2.6Å; R642-D645 VanDerWaalsContact O-OD1 3.06Å; R642-S647 PolarHBondContact O-N 2.98Å; R642-S647 VanDerWaalsContact O-N 3.12Å; R642-L648 HydrophobicContact CB-CB 4.41Å; R642-L648 HydrophobicContact CB-CD1 3.65Å; R642-L648 HydrophobicContact CB-CG 4.01Å; R642-L648 WeakPolarHBondContact O-CB 3.28Å; R642-L648 PolarHBondContact O-N 3.32Å
643L68.7Low65.6Low59 Ų5967 Ų6731%0.30937%0.368SS..Hα-helixtrans-75.2-30.1169.1-77164.3000112.3L639 E640 T641 L648 C659 L661L639-L643 WeakPolarHBondContact O-CB 3.41Å; L639-L643 WeakPolarHBondContact O-CD1 3.03Å; L639-L643 WeakPolarHBondContact O-CG 3.42Å; L639-L643 PolarHBondContact O-N 2.8Å; E640-L643 PolarHBondContact O-N 2.94Å; T641-L643 VanDerWaalsContact C-N 3.3Å; T641-L643 PolarHBondContact O-N 3.14Å; L643-L648 HydrophobicContact CD2-CB 3.81Å; L643-L648 HydrophobicContact CD2-CD1 4.27Å; L643-L648 HydrophobicContact CG-CB 4.08Å; L643-L648 HydrophobicContact CG-CD1 3.8Å; L643-C659 HydrophobicContact CD1-CB 3.84Å; L643-C659 HydrophobicContact CD2-CB 3.99Å; L643-L661 HydrophobicContact CD1-CD1 3.94Å
644A64Low63.8Low88 Ų8868.6 Ų68.673%0.72738%0.376SS*.Hα-helixtrans-86.3-34.1-179.600000113.5E640 T641 G646E640-A644 WeakPolarHBondContact O-CB 3.32Å; E640-A644 PolarHBondContact O-N 2.99Å; T641-A644 PolarHBondContact O-N 3.21Å; T641-A644 VanDerWaalsContact O-N 3.07Å; A644-G646 VanDerWaalsContact C-N 3.27Å
645D63.6Low62Low81 Ų8169.7 Ų69.743%0.43340%0.4SS..SBendtrans-78.8-10.4174.975.812.5000113.2T641 R642 S647T641-D645 PolarHBondContact O-N 3.13Å; R642-D645 WeakPolarHBondContact CA-OD1 3.25Å; R642-D645 WeakPolarHBondContact CD-OD2 3.35Å; R642-D645 IonicContact CZ-OD2 3.73Å; R642-D645 IonicContact NH1-OD2 2.88Å; R642-D645 PolarHBondContact NH1-OD2 2.6Å; R642-D645 VanDerWaalsContact O-OD1 3.06Å; D645-S647 VanDerWaalsContact CG-OG 3.22Å; D645-S647 WeakPolarHBondContact OD1-CB 3.14Å; D645-S647 PolarHBondContact OD1-N 3.41Å; D645-S647 PolarHBondContact OD1-OG 3.29Å; D645-S647 PolarHBondContact OD2-OG 3.16Å
646G55.3Low60.4Low27 Ų2771 Ų7128%0.27841%0.414SS..SBendtrans87-1179.600000115A644 L648 T649A644-G646 VanDerWaalsContact C-N 3.27Å; G646-L648 VanDerWaalsContact C-N 3.3Å; G646-L648 PolarHBondContact O-N 3.3Å; G646-T649 WeakPolarHBondContact CA-OG1 3.42Å; G646-T649 CarbonylContact O-C 3.51Å; G646-T649 PolarHBondContact O-N 3.36Å; G646-T649 PolarHBondContact O-OG1 2.85Å
647S54.1Low59.1Low60 Ų6072.4 Ų72.442%0.4242%0.422SS..THydrogen-bonded Turntrans-70.3-24.2-178.9-48.50000113.6R642 D645 T649R642-S647 PolarHBondContact O-N 2.98Å; R642-S647 VanDerWaalsContact O-N 3.12Å; D645-S647 VanDerWaalsContact CG-OG 3.22Å; D645-S647 WeakPolarHBondContact OD1-CB 3.14Å; D645-S647 PolarHBondContact OD1-N 3.41Å; D645-S647 PolarHBondContact OD1-OG 3.29Å; D645-S647 PolarHBondContact OD2-OG 3.16Å; S647-T649 VanDerWaalsContact C-N 3.27Å
648L52.9Low58.5Low16 Ų1674.8 Ų74.88%0.08444%0.435CS..THydrogen-bonded Turntrans-81.7-3.4169.8-98.1160.2000112.9Q607 I610 V611 L639 R642 L643 G646Q607-L648 HydrophobicContact CG-CD2 4.09Å; Q607-L648 HydrophobicContact CG-CG 4.14Å; I610-L648 HydrophobicContact CG2-CD2 4.37Å; V611-L648 HydrophobicContact CG2-CD2 3.57Å; V611-L648 HydrophobicContact CG2-CG 4.49Å; L639-L648 HydrophobicContact CB-CD1 4.21Å; L639-L648 HydrophobicContact CD2-CD1 3.82Å; L639-L648 WeakPolarHBondContact O-CD1 3.31Å; R642-L648 HydrophobicContact CB-CB 4.41Å; R642-L648 HydrophobicContact CB-CD1 3.65Å; R642-L648 HydrophobicContact CB-CG 4.01Å; R642-L648 WeakPolarHBondContact O-CB 3.28Å; R642-L648 PolarHBondContact O-N 3.32Å; L643-L648 HydrophobicContact CD2-CB 3.81Å; L643-L648 HydrophobicContact CD2-CD1 4.27Å; L643-L648 HydrophobicContact CG-CB 4.08Å; L643-L648 HydrophobicContact CG-CD1 3.8Å; G646-L648 VanDerWaalsContact C-N 3.3Å; G646-L648 PolarHBondContact O-N 3.3Å
649T44.9Very low57.9Low60 Ų6074 Ų7437%0.36843%0.434SS..  trans-112115.9170.845.10000111.2G646 S647 A651G646-T649 WeakPolarHBondContact CA-OG1 3.42Å; G646-T649 CarbonylContact O-C 3.51Å; G646-T649 PolarHBondContact O-N 3.36Å; G646-T649 PolarHBondContact O-OG1 2.85Å; S647-T649 VanDerWaalsContact C-N 3.27Å; T649-A651 PolarHBondContact O-N 3.07Å
650Y46Very low57.6Low148 Ų14875.6 Ų75.658%0.5844%0.444SS*.  trans-64.576.8146.3-85.9-94.1000107.8V611 S652 Y653 L654V611-Y650 HydrophobicContact CG1-CD2 4.18Å; V611-Y650 HydrophobicContact CG1-CE2 3.94Å; Y650-S652 PolarHBondContact O-N 3.34Å; Y650-S652 VanDerWaalsContact O-N 3.07Å; Y650-Y653 HydrophobicContact CD1-CD2 4.15Å; Y650-Y653 PolarHBondContact O-N 2.95Å; Y650-L654 PolarHBondContact O-N 3.22Å
651A40.5Very low57.8Low85 Ų8572.9 Ų72.970%0.70243%0.432SS*.THydrogen-bonded Turntrans-64.9-15.2-168.600000113.4T649T649-A651 PolarHBondContact O-N 3.07Å
652S42.6Very low58.2Low100 Ų10069.9 Ų69.970%0.69941%0.413SS*.THydrogen-bonded Turntrans-80.9-16.6171.146.40000114.8Y650Y650-S652 PolarHBondContact O-N 3.34Å; Y650-S652 VanDerWaalsContact O-N 3.07Å
653Y43.7Very low58.8Low186 Ų18667.3 Ų67.373%0.72941%0.406SS*.THydrogen-bonded Turntrans-119.6-24.6-171.2-73.3-77.4000115.5Y650Y650-Y653 HydrophobicContact CD1-CD2 4.15Å; Y650-Y653 PolarHBondContact O-N 2.95Å
654L42.5Very low59.6Low60 Ų6064.6 Ų64.631%0.31439%0.392SS..  trans-118.785.6-172.3-68.4172.6000112.6I614 Y650 G656 I657I614-L654 HydrophobicContact CG2-CD1 3.41Å; I614-L654 VanDerWaalsContact CG2-CD1 3.41Å; Y650-L654 PolarHBondContact O-N 3.22Å; L654-G656 VanDerWaalsContact C-N 3.32Å; L654-G656 PolarHBondContact O-N 2.95Å; L654-I657 HydrophobicContact CD1-CD1 4.48Å; L654-I657 HydrophobicContact CD2-CD1 4.01Å
655G41.9Very low60.5Low89 Ų8961.4 Ų61.492%0.91836%0.362SS*.THydrogen-bonded Turntrans-63.678.1-179.700000114.9
656G51.8Low61Low28 Ų2861.3 Ų61.329%0.28937%0.368SS..THydrogen-bonded Turntrans94.226.3163.900000116.9L654 R701L654-G656 VanDerWaalsContact C-N 3.32Å; L654-G656 PolarHBondContact O-N 2.95Å; G656-R701 VanDerWaalsContact O-CB 3.24Å; G656-R701 WeakPolarHBondContact O-CB 3.46Å; G656-R701 WeakPolarHBondContact O-CD 3.35Å; G656-R701 VanDerWaalsContact O-CG 3.26Å; G656-R701 WeakPolarHBondContact O-CG 3.46Å
657I57.1Low61.5Low57 Ų5764 Ų6429%0.29237%0.373SS..EExtended strand (participates in β ladder)trans-67.3132.4165.1-53.6-169.5000108.9L654 I702 L704L654-I657 HydrophobicContact CD1-CD1 4.48Å; L654-I657 HydrophobicContact CD2-CD1 4.01Å; I657-I702 CarbonylContact C-O 3.55Å; I657-I702 WeakPolarHBondContact CA-O 3.37Å; I657-I702 HydrophobicContact CG1-CB 4.28Å; I657-L704 HydrophobicContact CG2-CB 4.49Å
658K64.3Low62.1Low139 Ų13962.3 Ų62.360%0.60436%0.359SS*.EExtended strand (participates in β ladder)trans-112.4135.6175.1-177172.2177.9-177.80109.3I702 L703 L704K658-I702 PolarHBondContact N-O 2.78Å; K658-L703 HydrophobicContact CB-CD2 3.7Å; K658-L703 HydrophobicContact CB-CG 4.49Å; K658-L703 HydrophobicContact CD-CD2 4.03Å; K658-L703 HydrophobicContact CG-CD2 3.74Å; K658-L703 CarbonylContact O-C 3.48Å; K658-L703 VanDerWaalsContact O-CA 3.26Å; K658-L703 WeakPolarHBondContact O-CA 3.35Å; K658-L704 PolarHBondContact O-N 2.92Å
659C71.2Confident62.4Low27 Ų2762 Ų6218%0.18236%0.358CS..EExtended strand (participates in β ladder)trans-95.9148.8174.8-65.10000111.3L643 L704L643-C659 HydrophobicContact CD1-CB 3.84Å; L643-C659 HydrophobicContact CD2-CB 3.99Å; C659-L704 CarbonylContact C-O 3.56Å; C659-L704 WeakPolarHBondContact CA-O 3.2Å
660V76.9Confident63.4Low35 Ų3562.9 Ų62.921%0.21236%0.357CS..EExtended strand (participates in β ladder)trans-123.4122.7169.3-169.90000108.1L662 L703 L704 I706V660-L662 HydrophobicContact CG1-CD2 3.78Å; V660-L662 HydrophobicContact CG1-CG 4.01Å; V660-L703 HydrophobicContact CG2-CD2 3.5Å; V660-L704 PolarHBondContact N-O 2.83Å; V660-I706 PolarHBondContact O-N 3.08Å
661L82Confident64.5Low21 Ų2160 Ų6011%0.1135%0.349CS..EExtended strand (participates in β ladder)trans-100.4115.7176.5-72.3157.7000108.7Q636 L639 E640 L643 I706 L708Q636-L661 HydrophobicContact CG-CB 4.2Å; Q636-L661 HydrophobicContact CG-CD1 4.5Å; L639-L661 HydrophobicContact CB-CD1 3.82Å; L639-L661 HydrophobicContact CB-CD2 4.15Å; L639-L661 HydrophobicContact CD1-CD2 3.72Å; E640-L661 HydrophobicContact CG-CD1 3.69Å; L643-L661 HydrophobicContact CD1-CD1 3.94Å; L661-I706 WeakPolarHBondContact CA-O 3.31Å; L661-I706 HydrophobicContact CD2-CB 3.83Å; L661-I706 HydrophobicContact CD2-CD1 4.39Å; L661-I706 HydrophobicContact CD2-CG2 3.79Å; L661-L708 HydrophobicContact CD2-CD1 4.17Å; L661-L708 HydrophobicContact CD2-CG 4.47Å
662L85Confident65.8Low21 Ų2159.1 Ų59.111%0.1133%0.332CS..EExtended strand (participates in β ladder)trans-114.8105-179-63.5-176.5000110.1V660 V676 Q705 I706 I707 L708V660-L662 HydrophobicContact CG1-CD2 3.78Å; V660-L662 HydrophobicContact CG1-CG 4.01Å; L662-V676 HydrophobicContact CB-CG1 4.32Å; L662-V676 HydrophobicContact CD1-CG1 4.31Å; L662-Q705 HydrophobicContact CD1-CG 3.99Å; L662-I706 PolarHBondContact N-O 3.19Å; L662-I707 CarbonylContact O-C 3.47Å; L662-I707 WeakPolarHBondContact O-CA 3.38Å; L662-L708 PolarHBondContact O-N 3.22Å
663P85.8Confident67.3Low26 Ų2655.4 Ų55.417%0.16930%0.304CS..EExtended strand (participates in β ladder)trans-69.6141.7171.430.2-34.2000110.2W629 I632 L668 L708W629-P663 HydrophobicContact CZ3-CB 4.12Å; I632-P663 HydrophobicContact CG2-CB 3.59Å; P663-L668 HydrophobicContact CB-CD1 4.34Å; P663-L668 HydrophobicContact CG-CD1 4.29Å; P663-L668 WeakPolarHBondContact O-CD1 3.43Å; P663-L708 WeakPolarHBondContact CA-O 3.32Å
664L86Confident68.8Low3 Ų348.8 Ų48.82%0.01628%0.279CS..EExtended strand (participates in β ladder)trans-133.7112.2178.9-17762.7000110.9Q673 V676 I707 L708 A709 T710 I712 A713 I719L664-Q673 HydrophobicContact CD1-CB 4.06Å; L664-Q673 HydrophobicContact CD1-CG 4.22Å; L664-V676 HydrophobicContact CB-CG1 4.3Å; L664-V676 HydrophobicContact CD1-CG1 4.05Å; L664-V676 HydrophobicContact CD1-CG2 4.31Å; L664-V676 HydrophobicContact CD2-CG1 4.22Å; L664-V676 HydrophobicContact CD2-CG2 4.12Å; L664-V676 HydrophobicContact CG-CG1 4.41Å; L664-I707 HydrophobicContact CB-CG2 4.05Å; L664-I707 HydrophobicContact CD2-CG2 4.16Å; L664-L708 PolarHBondContact N-O 3.44Å; L664-A709 HydrophobicContact CB-CB 4.04Å; L664-A709 HydrophobicContact CD2-CB 4.17Å; L664-A709 HydrophobicContact CG-CB 4.46Å; L664-A709 WeakPolarHBondContact O-CA 3.44Å; L664-T710 PolarHBondContact O-N 3.16Å; L664-I712 HydrophobicContact CD2-CG2 4.4Å; L664-I712 HydrophobicContact CG-CG2 3.9Å; L664-A713 HydrophobicContact CD2-CB 4.02Å; L664-I719 HydrophobicContact CD2-CD1 4.37Å
665H83Confident70.2Confident21 Ų2149.6 Ų49.610%0.09728%0.281CS..  trans-152148.8-175.7-161.5-65.7000109.9W629 Q667 L668 T710W629-H665 HydrophobicContact CE3-CB 3.81Å; W629-H665 AromaticContact CE3-CD2 3.98Å; W629-H665 HydrophobicContact CZ3-CB 4.14Å; W629-H665 PolarHBondContact N-CD2 3.19Å; W629-H665 PolarHBondContact N-NE2 2.92Å; H665-Q667 PolarHBondContact ND1-N 3.38Å; H665-Q667 PolarHBondContact O-N 3.35Å; H665-L668 PolarHBondContact O-N 3.31Å; H665-T710 WeakPolarHBondContact CD2-CG2 3.5Å
666S73.3Confident71.8Confident79 Ų7945.4 Ų45.455%0.55224%0.238SC*.THydrogen-bonded Turntrans-58.5-5175.355.60000116
667Q65.4Low72.8Confident83 Ų8346.5 Ų46.539%0.38824%0.235SC..THydrogen-bonded Turntrans-107-3.4-178.5-67.8179.7-23.600112.6H665 I887H665-Q667 PolarHBondContact ND1-N 3.38Å; H665-Q667 PolarHBondContact O-N 3.35Å; Q667-I887 HydrophobicContact CB-CG2 3.88Å; Q667-I887 VanDerWaalsContact CD-CG2 3.4Å; Q667-I887 HydrophobicContact CG-CG2 3.62Å
668L66.8Low73.3Confident25 Ų2548.7 Ų48.713%0.13124%0.244CC..SBendtrans-78.9152.2171.3-76.4172.1000110.9W629 P663 H665 N672 Q673W629-L668 HydrophobicContact CH2-CD2 3.7Å; W629-L668 HydrophobicContact CH2-CG 4.19Å; W629-L668 HydrophobicContact CZ3-CD1 4.17Å; W629-L668 HydrophobicContact CZ3-CD2 3.99Å; W629-L668 HydrophobicContact CZ3-CG 3.94Å; P663-L668 HydrophobicContact CB-CD1 4.34Å; P663-L668 HydrophobicContact CG-CD1 4.29Å; P663-L668 WeakPolarHBondContact O-CD1 3.43Å; H665-L668 PolarHBondContact O-N 3.31Å; L668-N672 HydrophobicContact CB-CB 4.21Å; L668-N672 HydrophobicContact CD2-CB 4.34Å; L668-Q673 HydrophobicContact CB-CG 3.78Å; L668-Q673 PolarHBondContact O-NE2 3.41Å
669P60.9Low72.8Confident9 Ų944.7 Ų44.76%0.05824%0.237CC..  trans-55.8156.8168.8-2736.3000113.8E671 N672 Q673 P956P669-E671 VanDerWaalsContact C-N 3.27Å; P669-E671 VanDerWaalsContact CB-OE2 3.3Å; P669-E671 WeakPolarHBondContact CB-OE2 3.36Å; P669-E671 PolarHBondContact O-N 3.32Å; P669-N672 PolarHBondContact O-N 3.4Å; P669-Q673 PolarHBondContact O-N 3.25Å; P669-P956 HydrophobicContact CB-CB 3.5Å; P669-P956 HydrophobicContact CB-CG 4.28Å; P669-P956 HydrophobicContact CG-CB 3.69Å; P669-P956 HydrophobicContact CG-CG 4.26Å
670K65.7Low71.6Confident79 Ų7946.2 Ų46.234%0.34325%0.245SC..Hα-helixtrans-54.3-46.1178.5-168.5174.6-178.21760110.2D442 N672 Q673 F674D442-K670 IonicContact OD2-NZ 2.72Å; D442-K670 PolarHBondContact OD2-NZ 3.43Å; K670-N672 VanDerWaalsContact C-N 3.28Å; K670-N672 PolarHBondContact O-N 3.02Å; K670-Q673 PolarHBondContact O-N 3.32Å; K670-F674 HydrophobicContact CG-CD2 4Å; K670-F674 HydrophobicContact CG-CE2 3.72Å; K670-F674 HydrophobicContact CG-CZ 4.28Å; K670-F674 WeakPolarHBondContact O-CB 3.49Å; K670-F674 WeakPolarHBondContact O-CD2 3.25Å; K670-F674 PolarHBondContact O-N 3.21Å
671E67.5Low70.1Confident87 Ų8747.4 Ų47.441%0.40725%0.253SS..Hα-helixtrans-62.1-32179.6-48.895.9132.300113.3P669 Q675 R959P669-E671 VanDerWaalsContact C-N 3.27Å; P669-E671 VanDerWaalsContact CB-OE2 3.3Å; P669-E671 WeakPolarHBondContact CB-OE2 3.36Å; P669-E671 PolarHBondContact O-N 3.32Å; E671-Q675 WeakPolarHBondContact O-CG 3.4Å; E671-Q675 PolarHBondContact O-NE2 3.19Å; E671-R959 IonicContact OE1-NH1 3.27Å
672N69.3Low68.1Low66 Ų6652.6 Ų52.635%0.35329%0.288SS..Hα-helixtrans-84.2-35178.5-73.910000112.2L668 P669 K670 F674 Q675L668-N672 HydrophobicContact CB-CB 4.21Å; L668-N672 HydrophobicContact CD2-CB 4.34Å; P669-N672 PolarHBondContact O-N 3.4Å; K670-N672 VanDerWaalsContact C-N 3.28Å; K670-N672 PolarHBondContact O-N 3.02Å; N672-F674 VanDerWaalsContact C-N 3.28Å; N672-Q675 PolarHBondContact OD1-NE2 2.9Å
673Q73.5Confident66Low22 Ų2255 Ų5510%0.10332%0.318CS..Hα-helixtrans-66-34.6172.2-66.1-174.349.900111.1I414 L664 L668 P669 K670 V676 I712I414-Q673 HydrophobicContact CD1-CB 3.77Å; L664-Q673 HydrophobicContact CD1-CB 4.06Å; L664-Q673 HydrophobicContact CD1-CG 4.22Å; L668-Q673 HydrophobicContact CB-CG 3.78Å; L668-Q673 PolarHBondContact O-NE2 3.41Å; P669-Q673 PolarHBondContact O-N 3.25Å; K670-Q673 PolarHBondContact O-N 3.32Å; Q673-V676 WeakPolarHBondContact O-CG2 3.34Å; Q673-I712 VanDerWaalsContact OE1-CD1 3.27Å
674F74.4Confident63.8Low48 Ų4861 Ų6121%0.21134%0.341CS..Hα-helixtrans-76.3-21-175.6-84.8-127000114.2I414 I417 T418 E421 K670 N672 V676 F677I414-F674 HydrophobicContact CD1-CD2 4.15Å; I414-F674 HydrophobicContact CD1-CE2 3.91Å; I414-F674 HydrophobicContact CG1-CE2 3.97Å; I417-F674 HydrophobicContact CG2-CZ 3.89Å; T418-F674 HydrophobicContact CG2-CE1 3.89Å; T418-F674 HydrophobicContact CG2-CE2 4.03Å; T418-F674 HydrophobicContact CG2-CZ 3.52Å; E421-F674 WeakPolarHBondContact OE2-CE1 3.23Å; K670-F674 HydrophobicContact CG-CD2 4Å; K670-F674 HydrophobicContact CG-CE2 3.72Å; K670-F674 HydrophobicContact CG-CZ 4.28Å; K670-F674 WeakPolarHBondContact O-CB 3.49Å; K670-F674 WeakPolarHBondContact O-CD2 3.25Å; K670-F674 PolarHBondContact O-N 3.21Å; N672-F674 VanDerWaalsContact C-N 3.28Å; F674-V676 PolarHBondContact O-N 2.76Å; F674-V676 VanDerWaalsContact O-N 3.07Å; F674-F677 HydrophobicContact CG-CD2 4.46Å; F674-F677 PolarHBondContact O-N 3.46Å
675Q73Confident61.3Low77 Ų7762.4 Ų62.436%0.3635%0.351SS..G310 helixtrans-56-25.3176-78.8160.842.200113.4E671 N672 F677 E678E671-Q675 WeakPolarHBondContact O-CG 3.4Å; E671-Q675 PolarHBondContact O-NE2 3.19Å; N672-Q675 PolarHBondContact OD1-NE2 2.9Å; Q675-F677 VanDerWaalsContact C-N 3.25Å; Q675-F677 PolarHBondContact O-N 2.76Å; Q675-E678 PolarHBondContact O-N 3.46Å
676V75Confident59.4Low1 Ų164.7 Ų64.71%0.00636%0.36CS..G310 helixtrans-71-18.4178.8-48.90000113.6L662 L664 Q673 F674 Q705 I707 I719L662-V676 HydrophobicContact CB-CG1 4.32Å; L662-V676 HydrophobicContact CD1-CG1 4.31Å; L664-V676 HydrophobicContact CB-CG1 4.3Å; L664-V676 HydrophobicContact CD1-CG1 4.05Å; L664-V676 HydrophobicContact CD1-CG2 4.31Å; L664-V676 HydrophobicContact CD2-CG1 4.22Å; L664-V676 HydrophobicContact CD2-CG2 4.12Å; L664-V676 HydrophobicContact CG-CG1 4.41Å; Q673-V676 WeakPolarHBondContact O-CG2 3.34Å; F674-V676 PolarHBondContact O-N 2.76Å; F674-V676 VanDerWaalsContact O-N 3.07Å; V676-Q705 PolarHBondContact O-NE2 2.81Å; V676-I707 HydrophobicContact CG1-CG2 4.11Å; V676-I719 HydrophobicContact CB-CD1 4.05Å; V676-I719 HydrophobicContact CG2-CD1 3.73Å; V676-I719 HydrophobicContact CG2-CG1 4.15Å; V676-I719 WeakPolarHBondContact O-CG2 3.14Å
677F73.3Confident57.4Low51 Ų5165.2 Ų65.222%0.22436%0.36CS..G310 helixtrans-91.4-3.9179.1-56.8-69.6000113.4I414 T418 F674 Q675 A679 V717 I719I414-F677 HydrophobicContact CD1-CE2 4.24Å; T418-F677 HydrophobicContact CG2-CD2 4.46Å; T418-F677 HydrophobicContact CG2-CE2 3.76Å; T418-F677 HydrophobicContact CG2-CZ 4.03Å; F674-F677 HydrophobicContact CG-CD2 4.46Å; F674-F677 PolarHBondContact O-N 3.46Å; Q675-F677 VanDerWaalsContact C-N 3.25Å; Q675-F677 PolarHBondContact O-N 2.76Å; F677-A679 VanDerWaalsContact C-N 3.35Å; F677-A679 PolarHBondContact O-N 3.15Å; F677-V717 HydrophobicContact CE1-CG1 3.81Å; F677-V717 HydrophobicContact CZ-CG1 3.91Å; F677-V717 HydrophobicContact CZ-CG2 4.48Å; F677-I719 HydrophobicContact CD1-CG1 4.26Å; F677-I719 HydrophobicContact CE1-CG1 4.16Å
678E67Low56Low103 Ų10364.7 Ų64.748%0.48136%0.364SS..  trans-73.581.3-174.9-86.7-149.9-127.600112.8Q675 V680 K686Q675-E678 PolarHBondContact O-N 3.46Å; E678-V680 PolarHBondContact O-N 3.25Å; E678-K686 IonicContact OE2-NZ 2.89Å; E678-K686 PolarHBondContact OE2-NZ 3.49Å
679A53Low54.5Low55 Ų5567.6 Ų67.646%0.45539%0.392SS..PPolyproline II helixtrans-46.2137.1-179.900000113.8F677 K686F677-A679 VanDerWaalsContact C-N 3.35Å; F677-A679 PolarHBondContact O-N 3.15Å; A679-K686 PolarHBondContact O-NZ 3.26Å
680V47.9Very low53.5Low59 Ų5976 Ų7636%0.35843%0.43SS..PPolyproline II helixtrans-83.8122175.5-179.30000109.1E678 F684 K686E678-V680 PolarHBondContact O-N 3.25Å; V680-F684 WeakPolarHBondContact CG1-O 3.41Å; V680-K686 HydrophobicContact CG1-CB 4.35Å; V680-K686 HydrophobicContact CG2-CB 4.38Å
681P43.6Very low52Low60 Ų6081.2 Ų81.239%0.3945%0.453SS..PPolyproline II helixtrans-66146.1-178.3-2232.7000113.4G683 F684P681-G683 PolarHBondContact O-N 2.91Å; P681-F684 HydrophobicContact CB-CB 4.24Å; P681-F684 WeakPolarHBondContact CD-O 3.29Å; P681-F684 CarbonylContact O-C 3.51Å; P681-F684 PolarHBondContact O-N 2.83Å
682P40.8Very low50.6Low130 Ų13079.9 Ų79.984%0.84445%0.453SS*.THydrogen-bonded Turntrans-55.7127.8175.5-25.434.8000112.1F684P682-F684 PolarHBondContact O-N 3.03Å
683G41.4Very low48.9Very low71 Ų7184.5 Ų84.573%0.73248%0.477SS*.THydrogen-bonded Turntrans75.3-11.8-177.500000115.6P681P681-G683 PolarHBondContact O-N 2.91Å
684F38.4Very low47Very low151 Ų15190.5 Ų90.566%0.66251%0.505SS*.  trans-12099.1-179.3-83.4-83.9000112.9V680 P681 P682 K686V680-F684 WeakPolarHBondContact CG1-O 3.41Å; P681-F684 HydrophobicContact CB-CB 4.24Å; P681-F684 WeakPolarHBondContact CD-O 3.29Å; P681-F684 CarbonylContact O-C 3.51Å; P681-F684 PolarHBondContact O-N 2.83Å; P682-F684 PolarHBondContact O-N 3.03Å; F684-K686 PolarHBondContact O-N 3.27Å; F684-K686 VanDerWaalsContact O-N 3.17Å
685T33.5Very low44.8Very low34 Ų3494.8 Ų94.821%0.20953%0.529CS..  trans-58.2110.7167.3-75.20000111.4V687 R701 I702 L703T685-V687 PolarHBondContact O-N 3.01Å; T685-R701 WeakPolarHBondContact CB-O 3.32Å; T685-R701 WeakPolarHBondContact CG2-O 3.44Å; T685-R701 PolarHBondContact OG1-O 2.98Å; T685-I702 WeakPolarHBondContact OG1-CA 3.41Å; T685-L703 HydrophobicContact CG2-CB 3.73Å; T685-L703 HydrophobicContact CG2-CD1 3.43Å; T685-L703 VanDerWaalsContact CG2-CD1 3.43Å; T685-L703 HydrophobicContact CG2-CG 3.35Å; T685-L703 VanDerWaalsContact CG2-N 3.31Å
686K42.8Very low43.1Very low68 Ų6899.7 Ų99.730%0.29655%0.549SS..  trans-70.790.8-164.5-144.7-175.1-167.2-174.50114.7E678 A679 V680 F684 C688 L703E678-K686 IonicContact OE2-NZ 2.89Å; E678-K686 PolarHBondContact OE2-NZ 3.49Å; A679-K686 PolarHBondContact O-NZ 3.26Å; V680-K686 HydrophobicContact CG1-CB 4.35Å; V680-K686 HydrophobicContact CG2-CB 4.38Å; F684-K686 PolarHBondContact O-N 3.27Å; F684-K686 VanDerWaalsContact O-N 3.17Å; K686-C688 PolarHBondContact O-N 3.2Å; K686-L703 VanDerWaalsContact C-CD1 3.5Å; K686-L703 WeakPolarHBondContact O-CD1 3.46Å
687V32.3Very low41Very low91 Ų91109 Ų10955%0.55259%0.593SS**  trans-25.4112.7145.6168.10000111.3T685 A689 C692T685-V687 PolarHBondContact O-N 3.01Å; V687-A689 PolarHBondContact O-N 2.81Å; V687-A689 VanDerWaalsContact O-N 3.11Å; V687-C692 HydrophobicContact CB-CB 4.45Å; V687-C692 HydrophobicContact CG1-CB 3.56Å
688C36.2Very low39.1Very low71 Ų71110.3 Ų110.348%0.4861%0.608SS.*  trans-65.1113.3176.2-64.50000110.1K686 H690 F691 C692K686-C688 PolarHBondContact O-N 3.2Å; C688-H690 PolarHBondContact O-N 3.2Å; C688-F691 PolarHBondContact O-N 3.06Å; C688-C692 WeakPolarHBondContact O-CB 3.41Å; C688-C692 PolarHBondContact O-N 3.5Å; C688-C692 VanDerWaalsContact O-N 3.09Å
689A35.6Very low37.6Very low86 Ų86113.5 Ų113.571%0.71162%0.622SS**THydrogen-bonded Turntrans-61.7-14.6-171.500000114.9V687V687-A689 PolarHBondContact O-N 2.81Å; V687-A689 VanDerWaalsContact O-N 3.11Å
690H38.3Very low37Very low185 Ų185115.9 Ų115.986%0.85663%0.633SS**THydrogen-bonded Turntrans-101.4-0.8176.7-156.765000115.2C688C688-H690 PolarHBondContact O-N 3.2Å
691F36.3Very low36.9Very low190 Ų190119.6 Ų119.683%0.83364%0.641SS**THydrogen-bonded Turntrans-138.9-11.9-175.5-145.4-92.8000115.3C688C688-F691 PolarHBondContact O-N 3.06Å
692C36.2Very low37.3Very low59 Ų59120.9 Ų120.940%0.39964%0.643SS.*SBendtrans-113.117.7-167.4-1610000113.9V687 C688V687-C692 HydrophobicContact CB-CB 4.45Å; V687-C692 HydrophobicContact CG1-CB 3.56Å; C688-C692 WeakPolarHBondContact O-CB 3.41Å; C688-C692 PolarHBondContact O-N 3.5Å; C688-C692 VanDerWaalsContact O-N 3.09Å
693L33.8Very low38.2Very low162 Ų162116.5 Ų116.585%0.84861%0.613SS**SBendtrans-94.410.3178.8-106.2173.3000114.4
694Q34.1Very low39.7Very low148 Ų148113.9 Ų113.969%0.69258%0.582SS**SBendtrans-132.7-8.3-173.5-148.41707.100116
695L29Very low41.7Very low139 Ų139107.9 Ų107.973%0.72856%0.556SS**SBendtrans-143125.1179.1-79.2179000114.3
696F35.8Very low44.2Very low179 Ų179106.5 Ų106.579%0.78555%0.547SS*.  trans65.2125.6167.1-72.1-79.5000120.7C698F696-C698 PolarHBondContact O-N 3.42Å
697Q32.7Very low46.5Very low197 Ų197103.2 Ų103.292%0.92153%0.533SS*.  trans-56.9120.8148.8-66.9171.4-20.900108.9
698C33Very low49.4Very low79 Ų7998.9 Ų98.953%0.53451%0.506SS..  trans-141.2142.2174.6-89.80000109.7F696F696-C698 PolarHBondContact O-N 3.42Å
699H35.8Very low52Low170 Ų17095.5 Ų95.579%0.78748%0.484SS*.  trans-62.7157.8178.5-79.339.1000112.2R701H699-R701 PolarHBondContact O-N 3.08Å
700P38.7Very low54.7Low104 Ų10491.8 Ų91.868%0.67545%0.452SS*.  trans-6396.4177.126.7-35.1000110.8
701R46.6Very low57Low138 Ų13885.8 Ų85.852%0.52143%0.426SS..  trans-72.7-170.4169.7-80.9175.5177147.72.3110.3G656 T685 H699G656-R701 VanDerWaalsContact O-CB 3.24Å; G656-R701 WeakPolarHBondContact O-CB 3.46Å; G656-R701 WeakPolarHBondContact O-CD 3.35Å; G656-R701 VanDerWaalsContact O-CG 3.26Å; G656-R701 WeakPolarHBondContact O-CG 3.46Å; T685-R701 WeakPolarHBondContact CB-O 3.32Å; T685-R701 WeakPolarHBondContact CG2-O 3.44Å; T685-R701 PolarHBondContact OG1-O 2.98Å; H699-R701 PolarHBondContact O-N 3.08Å
702I52.2Low59.2Low86 Ų8677.1 Ų77.144%0.44139%0.388SS..EExtended strand (participates in β ladder)trans-115.7134.6169.7-62175.5000108.3I657 K658 T685I657-I702 CarbonylContact C-O 3.55Å; I657-I702 WeakPolarHBondContact CA-O 3.37Å; I657-I702 HydrophobicContact CG1-CB 4.28Å; K658-I702 PolarHBondContact N-O 2.78Å; T685-I702 WeakPolarHBondContact OG1-CA 3.41Å
703L60.1Low61.6Low39 Ų3974.3 Ų74.320%0.20437%0.37CS..EExtended strand (participates in β ladder)trans-103.3133.8170.3-81.7157.7000109.3K658 V660 T685 K686K658-L703 HydrophobicContact CB-CD2 3.7Å; K658-L703 HydrophobicContact CB-CG 4.49Å; K658-L703 HydrophobicContact CD-CD2 4.03Å; K658-L703 HydrophobicContact CG-CD2 3.74Å; K658-L703 CarbonylContact O-C 3.48Å; K658-L703 VanDerWaalsContact O-CA 3.26Å; K658-L703 WeakPolarHBondContact O-CA 3.35Å; V660-L703 HydrophobicContact CG2-CD2 3.5Å; T685-L703 HydrophobicContact CG2-CB 3.73Å; T685-L703 HydrophobicContact CG2-CD1 3.43Å; T685-L703 VanDerWaalsContact CG2-CD1 3.43Å; T685-L703 HydrophobicContact CG2-CG 3.35Å; T685-L703 VanDerWaalsContact CG2-N 3.31Å; K686-L703 VanDerWaalsContact C-CD1 3.5Å; K686-L703 WeakPolarHBondContact O-CD1 3.46Å
704L72.6Confident64Low16 Ų1667 Ų678%0.08433%0.331CS..EExtended strand (participates in β ladder)trans-105.9125.4166.4-179.168.5000108.8I614 G620 I622 I657 K658 C659 V660 I706I614-L704 HydrophobicContact CD1-CD2 3.58Å; I614-L704 HydrophobicContact CG1-CD2 3.57Å; G620-L704 VanDerWaalsContact O-CD1 3.22Å; G620-L704 WeakPolarHBondContact O-CD1 2.99Å; I622-L704 HydrophobicContact CD1-CD1 4.3Å; I622-L704 HydrophobicContact CD1-CD2 4Å; I622-L704 HydrophobicContact CG1-CD1 4.24Å; I657-L704 HydrophobicContact CG2-CB 4.49Å; K658-L704 PolarHBondContact O-N 2.92Å; C659-L704 CarbonylContact C-O 3.56Å; C659-L704 WeakPolarHBondContact CA-O 3.2Å; V660-L704 PolarHBondContact N-O 2.83Å; L704-I706 HydrophobicContact CD2-CD1 4.03Å; L704-I706 HydrophobicContact CD2-CG1 4.11Å; L704-I706 HydrophobicContact CG-CD1 4.49Å; L704-I706 HydrophobicContact CG-CG1 4.08Å
705Q79.7Confident65.9Low24 Ų2460 Ų6011%0.11230%0.298CS..EExtended strand (participates in β ladder)trans-99.4125.6176167.9169-48.800109.6S621 I622 L662 V676 I707S621-Q705 WeakPolarHBondContact CA-O 3.45Å; S621-Q705 WeakPolarHBondContact OG-CB 3.37Å; S621-Q705 VanDerWaalsContact OG-CG 3.31Å; S621-Q705 WeakPolarHBondContact OG-CG 3.06Å; I622-Q705 PolarHBondContact N-O 2.64Å; L662-Q705 HydrophobicContact CD1-CG 3.99Å; V676-Q705 PolarHBondContact O-NE2 2.81Å; Q705-I707 HydrophobicContact CG-CD1 4.3Å; Q705-I707 HydrophobicContact CG-CG1 3.91Å
706I87.2Confident67.7Low5 Ų553.6 Ų53.63%0.02627%0.265CS..EExtended strand (participates in β ladder)trans-121.2107.7-177.7-56.7176.6000107.3I610 I622 V624 V660 L661 L662 L704 L708I610-I706 HydrophobicContact CG2-CD1 4.07Å; I622-I706 HydrophobicContact CB-CG1 4.42Å; I622-I706 HydrophobicContact CD1-CG1 4.4Å; I622-I706 WeakPolarHBondContact O-CA 3.32Å; V624-I706 HydrophobicContact CG2-CG2 4.26Å; V660-I706 PolarHBondContact O-N 3.08Å; L661-I706 WeakPolarHBondContact CA-O 3.31Å; L661-I706 HydrophobicContact CD2-CB 3.83Å; L661-I706 HydrophobicContact CD2-CD1 4.39Å; L661-I706 HydrophobicContact CD2-CG2 3.79Å; L662-I706 PolarHBondContact N-O 3.19Å; L704-I706 HydrophobicContact CD2-CD1 4.03Å; L704-I706 HydrophobicContact CD2-CG1 4.11Å; L704-I706 HydrophobicContact CG-CD1 4.49Å; L704-I706 HydrophobicContact CG-CG1 4.08Å; I706-L708 HydrophobicContact CG2-CD2 3.95Å
707I90.6Very high69.4Low0 Ų045.2 Ų45.20%023%0.229CC..EExtended strand (participates in β ladder)trans-98.2120.9-173.3-55.6150.7000108.5I622 L623 V624 L662 L664 V676 Q705 A709 I719 V722I622-I707 PolarHBondContact O-N 2.84Å; L623-I707 HydrophobicContact CD1-CB 3.83Å; L623-I707 HydrophobicContact CD1-CG2 3.67Å; V624-I707 PolarHBondContact N-O 3.29Å; L662-I707 CarbonylContact O-C 3.47Å; L662-I707 WeakPolarHBondContact O-CA 3.38Å; L664-I707 HydrophobicContact CB-CG2 4.05Å; L664-I707 HydrophobicContact CD2-CG2 4.16Å; V676-I707 HydrophobicContact CG1-CG2 4.11Å; Q705-I707 HydrophobicContact CG-CD1 4.3Å; Q705-I707 HydrophobicContact CG-CG1 3.91Å; I707-A709 HydrophobicContact CG2-CB 4.43Å; I707-I719 HydrophobicContact CD1-CD1 3.92Å; I707-I719 HydrophobicContact CD1-CG2 3.98Å; I707-V722 HydrophobicContact CD1-CG2 4.26Å
708L92.1Very high71.1Confident0 Ų039.2 Ų39.20%021%0.206CC..EExtended strand (participates in β ladder)trans-105.493.6-176.9-56.4-175.5000109.3V624 L626 I632 L635 Q636 L661 L662 P663 L664 I706V624-L708 HydrophobicContact CB-CD2 3.7Å; V624-L708 HydrophobicContact CG1-CD2 4.35Å; V624-L708 HydrophobicContact CG2-CD2 3.68Å; L626-L708 HydrophobicContact CD1-CB 4.41Å; I632-L708 WeakPolarHBondContact CD1-O 3.33Å; I632-L708 HydrophobicContact CG1-CB 4.42Å; I632-L708 HydrophobicContact CG2-CB 3.89Å; L635-L708 HydrophobicContact CD2-CD2 3.96Å; Q636-L708 HydrophobicContact CB-CD1 3.75Å; Q636-L708 HydrophobicContact CG-CD1 4.41Å; L661-L708 HydrophobicContact CD2-CD1 4.17Å; L661-L708 HydrophobicContact CD2-CG 4.47Å; L662-L708 PolarHBondContact O-N 3.22Å; P663-L708 WeakPolarHBondContact CA-O 3.32Å; L664-L708 PolarHBondContact N-O 3.44Å; I706-L708 HydrophobicContact CG2-CD2 3.95Å
709A92.3Very high73.2Confident0 Ų036 Ų360%018%0.183CC..EExtended strand (participates in β ladder)trans-112156.5-164.300000114.1L623 V624 L626 L664 I707 A713L623-A709 HydrophobicContact CD1-CB 3.69Å; V624-A709 PolarHBondContact O-N 3.02Å; L626-A709 PolarHBondContact N-O 3.03Å; L664-A709 HydrophobicContact CB-CB 4.04Å; L664-A709 HydrophobicContact CD2-CB 4.17Å; L664-A709 HydrophobicContact CG-CB 4.46Å; L664-A709 WeakPolarHBondContact O-CA 3.44Å; I707-A709 HydrophobicContact CG2-CB 4.43Å; A709-A713 HydrophobicContact CB-CB 3.8Å
710T90.7Very high74.9Confident7 Ų730.6 Ų30.64%0.04317%0.165CC..  trans-91.5-171.4157.876.50000111F625 L626 I632 L664 H665 I712 A713F625-T710 WeakPolarHBondContact CE1-O 3.21Å; L626-T710 WeakPolarHBondContact O-CA 3.22Å; I632-T710 HydrophobicContact CD1-CG2 3.58Å; L664-T710 PolarHBondContact O-N 3.16Å; H665-T710 WeakPolarHBondContact CD2-CG2 3.5Å; T710-I712 PolarHBondContact O-N 3.37Å; T710-I712 WeakPolarHBondContact OG1-CG2 3.25Å; T710-I712 PolarHBondContact OG1-N 3.25Å; T710-A713 PolarHBondContact O-N 2.76Å; T710-A713 VanDerWaalsContact O-N 3.12Å
711N87.5Confident76.8Confident59 Ų5927.4 Ų27.432%0.31614%0.142SC..G310 helixtrans-55.1-2.9167.170.2-36.8000115.2A713 E714N711-A713 PolarHBondContact O-N 2.89Å; N711-E714 HydrophobicContact CB-CB 4.12Å; N711-E714 WeakPolarHBondContact CB-OE2 3.19Å; N711-E714 WeakPolarHBondContact O-CB 3.47Å; N711-E714 PolarHBondContact O-N 3.16Å; N711-E714 VanDerWaalsContact O-N 3.1Å
712I83Confident78.8Confident8 Ų821.1 Ų21.14%0.04112%0.119CC..G310 helixtrans-59.6-27.2166.7-171.2163.6000113I414 L664 Q673 T710 V717I414-I712 HydrophobicContact CG2-CD1 4.22Å; I414-I712 HydrophobicContact CG2-CG1 4.27Å; L664-I712 HydrophobicContact CD2-CG2 4.4Å; L664-I712 HydrophobicContact CG-CG2 3.9Å; Q673-I712 VanDerWaalsContact OE1-CD1 3.27Å; T710-I712 PolarHBondContact O-N 3.37Å; T710-I712 WeakPolarHBondContact OG1-CG2 3.25Å; T710-I712 PolarHBondContact OG1-N 3.25Å; I712-V717 WeakPolarHBondContact O-CG2 3.42Å
713A86Confident80.5Confident1 Ų117.6 Ų17.61%0.00810%0.101CC..G310 helixtrans-91.62.117500000113.6L623 F625 L664 A709 T710 N711 R761L623-A713 HydrophobicContact CD1-CB 4.24Å; L623-A713 HydrophobicContact CD2-CB 4.32Å; F625-A713 HydrophobicContact CE1-CB 3.82Å; F625-A713 HydrophobicContact CZ-CB 3.95Å; L664-A713 HydrophobicContact CD2-CB 4.02Å; A709-A713 HydrophobicContact CB-CB 3.8Å; T710-A713 PolarHBondContact O-N 2.76Å; T710-A713 VanDerWaalsContact O-N 3.12Å; N711-A713 PolarHBondContact O-N 2.89Å; A713-R761 WeakPolarHBondContact O-CD 3.17Å; A713-R761 WeakPolarHBondContact O-CG 3.29Å; A713-R761 PolarHBondContact O-NE 2.87Å
714E84.5Confident82Confident8 Ų816 Ų164%0.0379%0.093CC..THydrogen-bonded Turntrans-82.4-33.1-168.9-170.6173128.900113.6F625 N711 N754 Q757 R758 R761F625-E714 HydrophobicContact CE1-CB 4.04Å; N711-E714 HydrophobicContact CB-CB 4.12Å; N711-E714 WeakPolarHBondContact CB-OE2 3.19Å; N711-E714 WeakPolarHBondContact O-CB 3.47Å; N711-E714 PolarHBondContact O-N 3.16Å; N711-E714 VanDerWaalsContact O-N 3.1Å; E714-N754 WeakPolarHBondContact OE1-CA 3.48Å; E714-N754 WeakPolarHBondContact OE1-CB 3.47Å; E714-N754 VanDerWaalsContact OE1-CG 3.25Å; E714-N754 PolarHBondContact OE1-ND2 2.68Å; E714-Q757 HydrophobicContact CG-CB 4.08Å; E714-R758 HydrophobicContact CG-CG 3.84Å; E714-R758 IonicContact OE2-CZ 2.71Å; E714-R758 IonicContact OE2-NE 3.52Å; E714-R758 PolarHBondContact OE2-NE 3.23Å; E714-R758 IonicContact OE2-NH2 3.47Å; E714-R758 PolarHBondContact OE2-NH2 2.6Å; E714-R761 PolarHBondContact O-NE 3.23Å; E714-R761 PolarHBondContact O-NH2 3.4Å
715S73.6Confident83.1Confident0 Ų015.2 Ų15.20%09%0.089CC..SBendtrans-127.2153.9178.266.20000110.8R412 E480 E483 V717R412-S715 PolarHBondContact NH1-OG 2.88Å; E480-S715 WeakPolarHBondContact OE1-CB 3.1Å; E483-S715 WeakPolarHBondContact OE1-CB 3.33Å; E483-S715 PolarHBondContact OE1-OG 2.96Å; S715-V717 PolarHBondContact O-N 2.67Å
716S67.7Low83.8Confident5 Ų514 Ų144%0.0358%0.083CC..SBendtrans50.4-27.9176.432.80000120.1Q410 S415 E480 T718Q410-S716 PolarHBondContact OE1-OG 2.8Å; S415-S716 WeakPolarHBondContact CB-OG 3.47Å; S415-S716 WeakPolarHBondContact OG-CB 3.01Å; S415-S716 PolarHBondContact OG-OG 2.86Å; E480-S716 WeakPolarHBondContact OE1-CA 3.48Å; E480-S716 PolarHBondContact OE1-N 2.99Å; S716-T718 PolarHBondContact O-N 3.25Å
717V70.3Confident84.2Confident4 Ų413.8 Ų13.82%0.0248%0.082CC..  trans-66.2121.5175.5165.60000111.5F677 I712 S715 I719 R761 R764F677-V717 HydrophobicContact CE1-CG1 3.81Å; F677-V717 HydrophobicContact CZ-CG1 3.91Å; F677-V717 HydrophobicContact CZ-CG2 4.48Å; I712-V717 WeakPolarHBondContact O-CG2 3.42Å; S715-V717 PolarHBondContact O-N 2.67Å; V717-I719 HydrophobicContact CG1-CD1 4.23Å; V717-I719 HydrophobicContact CG1-CG1 3.91Å; V717-R761 PolarHBondContact O-NH1 2.96Å; V717-R764 PolarHBondContact O-NH1 2.99Å
718T68.5Low84.4Confident71 Ų7114.1 Ų14.144%0.4368%0.084SC..  trans-109.290.2-179.953.30000111.9S716S716-T718 PolarHBondContact O-N 3.25Å
719I78.1Confident84.5Confident10 Ų1014.1 Ų14.15%0.0518%0.084CC..  trans-90.3118.6168.5-50.1179.1000106.9L664 V676 F677 I707 V717 D721 V722L664-I719 HydrophobicContact CD2-CD1 4.37Å; V676-I719 HydrophobicContact CB-CD1 4.05Å; V676-I719 HydrophobicContact CG2-CD1 3.73Å; V676-I719 HydrophobicContact CG2-CG1 4.15Å; V676-I719 WeakPolarHBondContact O-CG2 3.14Å; F677-I719 HydrophobicContact CD1-CG1 4.26Å; F677-I719 HydrophobicContact CE1-CG1 4.16Å; I707-I719 HydrophobicContact CD1-CD1 3.92Å; I707-I719 HydrophobicContact CD1-CG2 3.98Å; V717-I719 HydrophobicContact CG1-CD1 4.23Å; V717-I719 HydrophobicContact CG1-CG1 3.91Å; I719-D721 WeakPolarHBondContact CG2-OD1 3.46Å; I719-V722 HydrophobicContact CB-CG2 3.84Å; I719-V722 HydrophobicContact CG2-CG2 3.67Å
720S70.8Confident84.5Confident58 Ų5814.5 Ų14.541%0.4069%0.086SC..THydrogen-bonded Turntrans-83.3-21.4-161.949.30000114.9C765S720-C765 WeakPolarHBondContact O-CB 3.45Å; S720-C765 PolarHBondContact O-SG 2.98Å
721D79.4Confident84.4Confident37 Ų3714.7 Ų14.720%0.1989%0.087CC..THydrogen-bonded Turntrans-106.46.3-172.869.9-45.5000113.7G620 S621 I719 V723G620-D721 CarbonylContact C-O 3.57Å; G620-D721 WeakPolarHBondContact CA-O 3.49Å; S621-D721 VanDerWaalsContact CB-OD2 3.23Å; S621-D721 WeakPolarHBondContact CB-OD2 3.19Å; S621-D721 PolarHBondContact N-O 3.03Å; S621-D721 VanDerWaalsContact OG-CG 3.28Å; S621-D721 PolarHBondContact OG-OD1 2.75Å; S621-D721 PolarHBondContact OG-OD2 3.16Å; I719-D721 WeakPolarHBondContact CG2-OD1 3.46Å; D721-V723 PolarHBondContact O-N 2.6Å
722V87.4Confident84.2Confident6 Ų615.8 Ų15.84%0.0369%0.089CC..EExtended strand (participates in β ladder)trans-67.9113.5177.21760000110.5S621 L623 I707 I719 V725S621-V722 WeakPolarHBondContact O-CA 3.1Å; L623-V722 HydrophobicContact CB-CG1 3.82Å; L623-V722 HydrophobicContact CB-CG2 4.17Å; L623-V722 HydrophobicContact CD2-CG1 4.46Å; I707-V722 HydrophobicContact CD1-CG2 4.26Å; I719-V722 HydrophobicContact CB-CG2 3.84Å; I719-V722 HydrophobicContact CG2-CG2 3.67Å; V722-V725 HydrophobicContact CG1-CG2 4.03Å
723V89.1Confident84Confident12 Ų1217 Ų177%0.07310%0.095CC..EExtended strand (participates in β ladder)trans-101.3-34.2174.71760000110.8V618 S621 D721 A762 Q766 G768 V769V618-V723 HydrophobicContact CG1-CB 4.49Å; V618-V723 HydrophobicContact CG1-CG1 3.76Å; S621-V723 PolarHBondContact O-N 2.81Å; D721-V723 PolarHBondContact O-N 2.6Å; V723-A762 WeakPolarHBondContact O-CB 3.46Å; V723-Q766 HydrophobicContact CG2-CG 3.94Å; V723-G768 CarbonylContact O-C 3.56Å; V723-G768 WeakPolarHBondContact O-CA 3.46Å; V723-V769 PolarHBondContact O-N 2.97Å
724M91.6Very high83.3Confident4 Ų421.4 Ų21.42%0.0211%0.114CC..EExtended strand (participates in β ladder)trans-121.3132.4-172.5-172-159.7179.700110.7I609 Q613 S621 I622 L623 I726 V769 F771I609-M724 HydrophobicContact CB-CE 4.38Å; I609-M724 HydrophobicContact CG2-CE 3.33Å; Q613-M724 HydrophobicContact CB-SD 4.17Å; Q613-M724 HydrophobicContact CG-CE 3.68Å; Q613-M724 HydrophobicContact CG-SD 3.75Å; S621-M724 PolarHBondContact O-N 2.69Å; I622-M724 WeakPolarHBondContact CA-O 3.39Å; I622-M724 HydrophobicContact CB-SD 4.29Å; I622-M724 HydrophobicContact CD1-SD 3.75Å; I622-M724 HydrophobicContact CG1-CB 4.17Å; I622-M724 HydrophobicContact CG1-SD 3.77Å; I622-M724 HydrophobicContact CG2-CB 4.4Å; I622-M724 HydrophobicContact CG2-CG 4.34Å; I622-M724 HydrophobicContact CG2-SD 3.66Å; L623-M724 PolarHBondContact N-O 2.94Å; M724-I726 HydrophobicContact CE-CD1 3.6Å; M724-I726 HydrophobicContact CE-CG1 3.45Å; M724-I726 VanDerWaalsContact CE-CG1 3.45Å; M724-I726 HydrophobicContact SD-CD1 4.36Å; M724-I726 HydrophobicContact SD-CG1 4.27Å; M724-V769 CarbonylContact C-O 3.55Å; M724-V769 WeakPolarHBondContact CA-O 3.32Å; M724-F771 HydrophobicContact CE-CD2 3.56Å; M724-F771 HydrophobicContact CE-CE2 3.61Å
725V94.2Very high82.7Confident0 Ų021.7 Ų21.70%012%0.115CC..EExtended strand (participates in β ladder)trans-115.5129.7169.9173.30000109.5L623 F625 V722 D727 R761 A762 V769 C770 F771L623-V725 HydrophobicContact CB-CG2 4.38Å; L623-V725 CarbonylContact O-C 3.59Å; L623-V725 VanDerWaalsContact O-CA 3.31Å; L623-V725 WeakPolarHBondContact O-CA 3.2Å; F625-V725 HydrophobicContact CD2-CG1 3.82Å; F625-V725 HydrophobicContact CE2-CG1 4.02Å; V722-V725 HydrophobicContact CG1-CG2 4.03Å; V725-D727 HydrophobicContact CG1-CB 4.47Å; V725-R761 HydrophobicContact CG2-CB 4.23Å; V725-A762 HydrophobicContact CG2-CB 3.97Å; V725-V769 PolarHBondContact N-O 2.95Å; V725-C770 HydrophobicContact CB-CB 4.3Å; V725-C770 CarbonylContact O-C 3.05Å; V725-C770 WeakPolarHBondContact O-CA 3.32Å; V725-F771 PolarHBondContact O-N 3.26Å
726I95.6Very high82.4Confident0 Ų024.2 Ų24.20%013%0.125CC..EExtended strand (participates in β ladder)trans-110.3118.5166.7-57.3175.8000106.9I606 I610 I622 L623 V624 F625 M724 L773I606-I726 HydrophobicContact CG1-CG2 4.23Å; I606-I726 HydrophobicContact CG2-CD1 4.17Å; I610-I726 HydrophobicContact CD1-CD1 4.19Å; I610-I726 HydrophobicContact CG1-CD1 3.74Å; I622-I726 HydrophobicContact CG2-CD1 4.09Å; I622-I726 HydrophobicContact CG2-CG1 4.31Å; L623-I726 PolarHBondContact O-N 3.07Å; V624-I726 CarbonylContact C-O 3.51Å; V624-I726 VanDerWaalsContact CA-O 3.3Å; V624-I726 WeakPolarHBondContact CA-O 3.35Å; V624-I726 HydrophobicContact CG1-CB 4.17Å; V624-I726 HydrophobicContact CG1-CG2 4.28Å; V624-I726 HydrophobicContact CG2-CB 4.3Å; V624-I726 HydrophobicContact CG2-CD1 4.25Å; F625-I726 PolarHBondContact N-O 3.36Å; M724-I726 HydrophobicContact CE-CD1 3.6Å; M724-I726 HydrophobicContact CE-CG1 3.45Å; M724-I726 VanDerWaalsContact CE-CG1 3.45Å; M724-I726 HydrophobicContact SD-CD1 4.36Å; M724-I726 HydrophobicContact SD-CG1 4.27Å; I726-L773 HydrophobicContact CG2-CD1 3.83Å; I726-L773 HydrophobicContact CG2-CG 4.26Å
727D96Very high82.3Confident0 Ų025.1 Ų25.10%013%0.13CC..EExtended strand (participates in β ladder)trans-115.3114.8-176.8-175.714.3000111.2V725 C729 L755 R758 F771 H772 L773V725-D727 HydrophobicContact CG1-CB 4.47Å; D727-C729 PolarHBondContact O-N 3.46Å; D727-C729 PolarHBondContact O-SG 2.89Å; D727-C729 WeakPolarHBondContact OD1-CA 3.21Å; D727-C729 PolarHBondContact OD1-N 3.42Å; D727-L755 WeakPolarHBondContact OD2-CG 3.47Å; D727-R758 VanDerWaalsContact OD1-CD 3.28Å; D727-R758 WeakPolarHBondContact OD1-CD 3.45Å; D727-R758 IonicContact OD1-CZ 2.78Å; D727-R758 IonicContact OD1-NE 2.25Å; D727-R758 IonicContact OD1-NH1 3.24Å; D727-R758 PolarHBondContact OD1-NH1 2.81Å; D727-R758 WeakPolarHBondContact OD2-CD 3.41Å; D727-R758 IonicContact OD2-NH1 3.74Å; D727-F771 PolarHBondContact N-O 2.87Å; D727-H772 IonicContact OD2-ND1 3.96Å; D727-L773 WeakPolarHBondContact O-CB 3.45Å; D727-L773 PolarHBondContact O-N 3.05Å
728S94.4Very high81.9Confident6 Ų626.7 Ų26.74%0.04214%0.142CC..  trans-62-9.7170.560.40000113.7F625 K730F625-S728 VanDerWaalsContact O-CB 3.29Å; F625-S728 WeakPolarHBondContact O-CB 3.42Å; F625-S728 PolarHBondContact O-N 2.94Å; F625-S728 VanDerWaalsContact O-N 3.13Å; F625-S728 PolarHBondContact O-OG 2.97Å; S728-K730 PolarHBondContact O-N 2.78Å
729C94.6Very high81.6Confident0 Ų024.2 Ų24.20%013%0.125CC..  trans59.78.7-179-57.10000114D727 W749 A750 L755 C774D727-C729 PolarHBondContact O-N 3.46Å; D727-C729 PolarHBondContact O-SG 2.89Å; D727-C729 WeakPolarHBondContact OD1-CA 3.21Å; D727-C729 PolarHBondContact OD1-N 3.42Å; C729-W749 HydrophobicContact CB-CE3 4.11Å; C729-W749 HydrophobicContact CB-CZ3 4.02Å; C729-A750 PolarHBondContact O-N 3.46Å; C729-L755 HydrophobicContact CB-CD1 4.22Å; C729-L755 HydrophobicContact CB-CD2 4.33Å; C729-C774 HydrophobicContact CB-CB 4.32Å; C729-C774 VanDerWaalsContact SG-SG 3.68Å
730K91.2Very high80.7Confident9 Ų924.1 Ų24.14%0.03912%0.124CC..EExtended strand (participates in β ladder)trans-97.2160.7174.6-58.1-56.9-175.9-177.20111.4E598 P627 S728 T747 T748 W749 R758E598-K730 WeakPolarHBondContact O-CE 3.12Å; E598-K730 PolarHBondContact O-NZ 2.87Å; P627-K730 HydrophobicContact CB-CB 3.96Å; P627-K730 HydrophobicContact CG-CB 3.94Å; S728-K730 PolarHBondContact O-N 2.78Å; K730-T747 HydrophobicContact CB-CG2 3.79Å; K730-T747 HydrophobicContact CD-CG2 4.29Å; K730-T747 HydrophobicContact CG-CG2 4.05Å; K730-T748 VanDerWaalsContact CA-O 3.27Å; K730-T748 WeakPolarHBondContact CA-O 3.1Å; K730-W749 HydrophobicContact CD-CD2 4.13Å; K730-W749 HydrophobicContact CD-CE3 3.73Å; K730-W749 HydrophobicContact CD-CZ3 3.98Å; K730-W749 VanDerWaalsContact NZ-CZ3 3.34Å; K730-R758 PolarHBondContact O-NH1 3.01Å; K730-R758 PolarHBondContact O-NH2 2.78Å
731V89.1Confident80.4Confident11 Ų1124.2 Ų24.27%0.06712%0.12CC..EExtended strand (participates in β ladder)trans-141.4153.6164.765.20000109L733 T747 T748 A750V731-L733 HydrophobicContact CG1-CD2 4.14Å; V731-L733 HydrophobicContact CG1-CG 4.3Å; V731-L733 HydrophobicContact CG2-CD2 4.26Å; V731-T747 CarbonylContact O-C 3.49Å; V731-T747 WeakPolarHBondContact O-CA 3.42Å; V731-T748 VanDerWaalsContact CG1-OG1 3.24Å; V731-T748 WeakPolarHBondContact CG1-OG1 3.39Å; V731-T748 PolarHBondContact N-O 2.85Å; V731-T748 PolarHBondContact O-N 3.4Å; V731-A750 HydrophobicContact CB-CB 4.16Å; V731-A750 HydrophobicContact CG1-CB 4.07Å
732K83.3Confident79.7Confident82 Ų8222.7 Ų22.736%0.35711%0.112SC..EExtended strand (participates in β ladder)trans-112.4103.1178.6-175.9-178.7172.4-170.60109.7P627 Y745 V746P627-K732 HydrophobicContact CB-CB 4.15Å; P627-K732 WeakPolarHBondContact O-CB 3.32Å; K732-Y745 HydrophobicContact CG-CD1 4.42Å; K732-V746 CarbonylContact C-O 3.48Å; K732-V746 WeakPolarHBondContact CA-O 3.45Å
733L77.9Confident78.7Confident32 Ų3223.9 Ų23.917%0.16812%0.118CC..EExtended strand (participates in β ladder)trans-84.4138.8-179.3-57.9179.2000110.2V731 K735 Y745 V746 T748V731-L733 HydrophobicContact CG1-CD2 4.14Å; V731-L733 HydrophobicContact CG1-CG 4.3Å; V731-L733 HydrophobicContact CG2-CD2 4.26Å; L733-K735 HydrophobicContact CB-CG 4.44Å; L733-Y745 WeakPolarHBondContact O-CA 3.27Å; L733-V746 PolarHBondContact N-O 3.18Å; L733-V746 PolarHBondContact O-N 3.33Å; L733-T748 HydrophobicContact CD1-CG2 4.04Å
734K73.1Confident77.6Confident95 Ų9523.9 Ų23.941%0.41312%0.117SC..EExtended strand (participates in β ladder)trans-76.1123.6160-171.6-172.1180-170.40106.5I743 Y745 R792K734-I743 HydrophobicContact CD-CG2 4.38Å; K734-I743 HydrophobicContact CG-CG2 3.92Å; K734-Y745 HydrophobicContact CB-CD1 4.28Å; K734-Y745 HydrophobicContact CB-CE1 3.95Å; K734-Y745 HydrophobicContact CG-CE1 4.07Å; K734-R792 PolarHBondContact O-NH1 2.99Å
735K70.4Confident76.6Confident13 Ų1327.4 Ų27.46%0.05713%0.13CC..EExtended strand (participates in β ladder)trans-120132.6173.9-74.8178.3172.6166.60108.8K199 L733 H744 V746K199-K735 HydrophobicContact CD-CD 3.95Å; L733-K735 HydrophobicContact CB-CG 4.44Å; K735-H744 VanDerWaalsContact CB-CE1 3.41Å; K735-H744 WeakPolarHBondContact CB-CE1 3.32Å; K735-H744 PolarHBondContact N-O 2.95Å; K735-H744 PolarHBondContact O-N 2.87Å; K735-H744 VanDerWaalsContact O-N 3.08Å; K735-H744 PolarHBondContact O-ND1 2.87Å; K735-H744 VanDerWaalsContact O-ND1 3.13Å; K735-V746 HydrophobicContact CD-CB 4.31Å; K735-V746 HydrophobicContact CD-CG2 3.89Å
736Y67.4Low75.5Confident54 Ų5427.6 Ų27.621%0.21213%0.132CC..  trans-89.5164.1173.1-173.9-117.3000110.4N741 I743 R792 P794Y736-N741 WeakPolarHBondContact CE2-OD1 3.35Å; Y736-N741 PolarHBondContact OH-OD1 2.71Å; Y736-I743 HydrophobicContact CD2-CG1 4.47Å; Y736-R792 PolarHBondContact N-O 2.83Å; Y736-P794 HydrophobicContact CD1-CB 3.89Å; Y736-P794 HydrophobicContact CD1-CG 4.25Å; Y736-P794 HydrophobicContact CD2-CG 4.37Å; Y736-P794 HydrophobicContact CE1-CB 3.85Å; Y736-P794 HydrophobicContact CG-CB 4.33Å; Y736-P794 HydrophobicContact CG-CG 4.18Å
737T66.5Low74.8Confident23 Ų2328.7 Ų28.714%0.14114%0.138CC..  trans-148.9108.7173.3-60.30000106.9Y739 N740 N741 M742 H744T737-Y739 HydrophobicContact CG2-CD1 3.53Å; T737-Y739 HydrophobicContact CG2-CE1 3.1Å; T737-Y739 HydrophobicContact CG2-CE2 4.26Å; T737-Y739 HydrophobicContact CG2-CG 4.27Å; T737-N740 WeakPolarHBondContact CB-OD1 3.07Å; T737-N740 WeakPolarHBondContact CG2-OD1 3.38Å; T737-N740 PolarHBondContact O-OD1 2.79Å; T737-N741 WeakPolarHBondContact O-CA 3.15Å; T737-N741 PolarHBondContact O-N 2.94Å; T737-M742 PolarHBondContact N-O 2.83Å; T737-M742 PolarHBondContact O-N 3.27Å; T737-M742 VanDerWaalsContact O-N 3.15Å; T737-H744 PolarHBondContact OG1-CE1 3.01Å; T737-H744 PolarHBondContact OG1-ND1 3.32Å
738S61.2Low74.2Confident37 Ų3729.8 Ų29.826%0.25915%0.145SC..G310 helixtrans-56.2-65.6-172.1390000112.6N740 N741 E828S738-N740 PolarHBondContact O-N 3.07Å; S738-N741 PolarHBondContact O-N 3.05Å; S738-E828 VanDerWaalsContact CB-CD 3.49Å; S738-E828 WeakPolarHBondContact CB-OE1 3.31Å; S738-E828 WeakPolarHBondContact CB-OE2 3.34Å
739Y62.5Low74Confident20 Ų2031.9 Ų31.98%0.07815%0.152CC..G310 helixtrans-56.5-6.8-173.570.8-100.1000117.2D135 I136 L145 C209 M212 T737D135-Y739 HydrophobicContact CB-CD2 3.83Å; D135-Y739 VanDerWaalsContact CG-CD2 3.48Å; D135-Y739 WeakPolarHBondContact OD1-CD2 3.31Å; D135-Y739 WeakPolarHBondContact OD1-CE2 3.24Å; I136-Y739 PolarHBondContact N-O 2.96Å; I136-Y739 VanDerWaalsContact N-O 3.13Å; L145-Y739 HydrophobicContact CD1-CD2 4.46Å; L145-Y739 HydrophobicContact CD1-CE1 4.36Å; L145-Y739 HydrophobicContact CD1-CE2 3.92Å; C209-Y739 PolarHBondContact SG-OH 3.28Å; M212-Y739 VanDerWaalsContact CE-CB 3.47Å; M212-Y739 HydrophobicContact CE-CD1 3.28Å; M212-Y739 HydrophobicContact CE-CD2 3.79Å; M212-Y739 HydrophobicContact CE-CE1 3.85Å; M212-Y739 HydrophobicContact CE-CE2 4.3Å; M212-Y739 HydrophobicContact CE-CG 3.24Å; T737-Y739 HydrophobicContact CG2-CD1 3.53Å; T737-Y739 HydrophobicContact CG2-CE1 3.1Å; T737-Y739 HydrophobicContact CG2-CE2 4.26Å; T737-Y739 HydrophobicContact CG2-CG 4.27Å
740N59.7Low73.8Confident8 Ų832 Ų324%0.04315%0.153CC..G310 helixtrans-143.414.3176.465.123.3000113.2T737 S738 M742 E1036 K1066T737-N740 WeakPolarHBondContact CB-OD1 3.07Å; T737-N740 WeakPolarHBondContact CG2-OD1 3.38Å; T737-N740 PolarHBondContact O-OD1 2.79Å; S738-N740 PolarHBondContact O-N 3.07Å; N740-M742 PolarHBondContact O-N 3.11Å; N740-M742 WeakPolarHBondContact OD1-CB 3.35Å; N740-M742 PolarHBondContact OD1-N 3.24Å; N740-E1036 VanDerWaalsContact CA-OE1 3.25Å; N740-E1036 WeakPolarHBondContact CA-OE1 3.47Å; N740-E1036 WeakPolarHBondContact CB-OE1 3.41Å; N740-K1066 WeakPolarHBondContact O-CE 3.41Å; N740-K1066 PolarHBondContact O-NZ 3.47Å
741N64.1Low73.8Confident60 Ų6031.9 Ų31.932%0.32115%0.153SC..THydrogen-bonded Turntrans43.338.3-179.3-162.54.6000114Y736 T737 S738Y736-N741 WeakPolarHBondContact CE2-OD1 3.35Å; Y736-N741 PolarHBondContact OH-OD1 2.71Å; T737-N741 WeakPolarHBondContact O-CA 3.15Å; T737-N741 PolarHBondContact O-N 2.94Å; S738-N741 PolarHBondContact O-N 3.05Å
742M64.9Low73.9Confident5 Ų533.5 Ų33.53%0.02516%0.159CC..  trans-102.7112.2-169.5-165.7-179.1-58.500112.3T133 T737 N740 H744 K1066 R1068 V1072T133-M742 HydrophobicContact CG2-CE 3.99Å; T737-M742 PolarHBondContact N-O 2.83Å; T737-M742 PolarHBondContact O-N 3.27Å; T737-M742 VanDerWaalsContact O-N 3.15Å; N740-M742 PolarHBondContact O-N 3.11Å; N740-M742 WeakPolarHBondContact OD1-CB 3.35Å; N740-M742 PolarHBondContact OD1-N 3.24Å; M742-H744 PolarHBondContact O-N 3.09Å; M742-K1066 HydrophobicContact CE-CD 4.03Å; M742-K1066 HydrophobicContact CE-CG 4.36Å; M742-K1066 HydrophobicContact CG-CG 4.29Å; M742-R1068 HydrophobicContact SD-CB 3.84Å; M742-R1068 HydrophobicContact SD-CG 4.39Å; M742-V1072 HydrophobicContact CE-CG2 4.47Å
743I66.2Low74.1Confident31 Ų3130 Ų3016%0.15915%0.145CC..EExtended strand (participates in β ladder)trans-77.4114.3167.1-61.3170.9000108.3K734 Y736 Y745 R1068K734-I743 HydrophobicContact CD-CG2 4.38Å; K734-I743 HydrophobicContact CG-CG2 3.92Å; Y736-I743 HydrophobicContact CD2-CG1 4.47Å; I743-Y745 HydrophobicContact CG2-CD2 4.47Å; I743-Y745 HydrophobicContact CG2-CE2 3.94Å; I743-R1068 PolarHBondContact O-N 3.39Å
744H65.4Low74.7Confident12 Ų1229.7 Ų29.76%0.05614%0.143CC..EExtended strand (participates in β ladder)trans-118.1151.1171.664.2-66.4000110.2E178 K735 T737 M742 V746 R1068E178-H744 IonicContact OE1-CD2 3.98Å; E178-H744 IonicContact OE2-CD2 2.76Å; K735-H744 VanDerWaalsContact CB-CE1 3.41Å; K735-H744 WeakPolarHBondContact CB-CE1 3.32Å; K735-H744 PolarHBondContact N-O 2.95Å; K735-H744 PolarHBondContact O-N 2.87Å; K735-H744 VanDerWaalsContact O-N 3.08Å; K735-H744 PolarHBondContact O-ND1 2.87Å; K735-H744 VanDerWaalsContact O-ND1 3.13Å; T737-H744 PolarHBondContact OG1-CE1 3.01Å; T737-H744 PolarHBondContact OG1-ND1 3.32Å; M742-H744 PolarHBondContact O-N 3.09Å; H744-V746 WeakPolarHBondContact CD2-CG2 3.28Å; H744-R1068 HydrophobicContact CB-CB 3.99Å
745Y71.8Confident75.6Confident78 Ų7825.2 Ų25.231%0.30612%0.124SC..EExtended strand (participates in β ladder)trans-119.1112.5-178.6-73.5-85.5000110.1K732 L733 K734 I743K732-Y745 HydrophobicContact CG-CD1 4.42Å; L733-Y745 WeakPolarHBondContact O-CA 3.27Å; K734-Y745 HydrophobicContact CB-CD1 4.28Å; K734-Y745 HydrophobicContact CB-CE1 3.95Å; K734-Y745 HydrophobicContact CG-CE1 4.07Å; I743-Y745 HydrophobicContact CG2-CD2 4.47Å; I743-Y745 HydrophobicContact CG2-CE2 3.94Å
746V71Confident76.5Confident4 Ų427.2 Ų27.22%0.02413%0.134CC..EExtended strand (participates in β ladder)trans-108.6125.6-172.7-167.90000109.3S171 E178 K732 L733 K735 H744 T748S171-V746 VanDerWaalsContact OG-CG1 3.25Å; S171-V746 WeakPolarHBondContact OG-CG1 3.49Å; E178-V746 WeakPolarHBondContact OE2-CG2 3.38Å; K732-V746 CarbonylContact C-O 3.48Å; K732-V746 WeakPolarHBondContact CA-O 3.45Å; L733-V746 PolarHBondContact N-O 3.18Å; L733-V746 PolarHBondContact O-N 3.33Å; K735-V746 HydrophobicContact CD-CB 4.31Å; K735-V746 HydrophobicContact CD-CG2 3.89Å; H744-V746 WeakPolarHBondContact CD2-CG2 3.28Å; V746-T748 HydrophobicContact CG1-CG2 4.39Å; V746-T748 PolarHBondContact O-N 3.32Å
747T79.8Confident77.5Confident23 Ų2324.8 Ų24.814%0.14112%0.124CC..EExtended strand (participates in β ladder)trans-78.5111.7167.4-52.90000108.2S171 G172 P627 K730 V731S171-T747 PolarHBondContact OG-O 2.93Å; G172-T747 WeakPolarHBondContact CA-O 3.12Å; G172-T747 PolarHBondContact N-O 2.93Å; P627-T747 HydrophobicContact CB-CG2 4.02Å; P627-T747 HydrophobicContact CG-CG2 4.1Å; K730-T747 HydrophobicContact CB-CG2 3.79Å; K730-T747 HydrophobicContact CD-CG2 4.29Å; K730-T747 HydrophobicContact CG-CG2 4.05Å; V731-T747 CarbonylContact O-C 3.49Å; V731-T747 WeakPolarHBondContact O-CA 3.42Å
748T83.5Confident78.6Confident22 Ų2223.9 Ų23.914%0.13512%0.118CC..EExtended strand (participates in β ladder)trans-101.3170.8171.158.90000109.6S171 K730 V731 L733 V746S171-T748 WeakPolarHBondContact OG-CA 3.28Å; S171-T748 VanDerWaalsContact OG-CG2 3.31Å; S171-T748 WeakPolarHBondContact OG-CG2 3.43Å; K730-T748 VanDerWaalsContact CA-O 3.27Å; K730-T748 WeakPolarHBondContact CA-O 3.1Å; V731-T748 VanDerWaalsContact CG1-OG1 3.24Å; V731-T748 WeakPolarHBondContact CG1-OG1 3.39Å; V731-T748 PolarHBondContact N-O 2.85Å; V731-T748 PolarHBondContact O-N 3.4Å; L733-T748 HydrophobicContact CD1-CG2 4.04Å; V746-T748 HydrophobicContact CG1-CG2 4.39Å; V746-T748 PolarHBondContact O-N 3.32Å
749W90Very high80Confident51 Ų5122.1 Ų22.119%0.19311%0.106CC..EExtended strand (participates in β ladder)trans-61.9155.6150.9-65.9110000110E598 C729 K730 C774 R778 L782E598-W749 HydrophobicContact CB-CZ2 4.07Å; E598-W749 HydrophobicContact CG-CZ2 4.44Å; E598-W749 WeakPolarHBondContact O-CH2 3.46Å; E598-W749 WeakPolarHBondContact O-CZ2 3.41Å; E598-W749 WeakPolarHBondContact OE1-CZ2 3.49Å; C729-W749 HydrophobicContact CB-CE3 4.11Å; C729-W749 HydrophobicContact CB-CZ3 4.02Å; K730-W749 HydrophobicContact CD-CD2 4.13Å; K730-W749 HydrophobicContact CD-CE3 3.73Å; K730-W749 HydrophobicContact CD-CZ3 3.98Å; K730-W749 VanDerWaalsContact NZ-CZ3 3.34Å; W749-C774 HydrophobicContact CH2-CB 3.96Å; W749-C774 HydrophobicContact CZ3-CB 3.76Å; W749-R778 HydrophobicContact CD2-CG 4.31Å; W749-R778 HydrophobicContact CE3-CG 4.46Å; W749-R778 HydrophobicContact CH2-CG 3.93Å; W749-R778 HydrophobicContact CZ2-CG 3.72Å; W749-R778 HydrophobicContact CZ3-CG 4.31Å; W749-L782 HydrophobicContact CB-CD2 3.6Å; W749-L782 HydrophobicContact CD2-CD2 4.2Å; W749-L782 HydrophobicContact CG-CD2 3.83Å
750A91.7Very high81Confident3 Ų321.3 Ų21.33%0.02510%0.103CC..PPolyproline II helixtrans-93.4156.416900000110.2C729 V731 N754 L755C729-A750 PolarHBondContact O-N 3.46Å; V731-A750 HydrophobicContact CB-CB 4.16Å; V731-A750 HydrophobicContact CG1-CB 4.07Å; A750-N754 HydrophobicContact CB-CB 3.87Å; A750-L755 HydrophobicContact CB-CD1 3.82Å
751S91Very high82.3Confident5 Ų521.4 Ų21.44%0.03510%0.103CC..PPolyproline II helixtrans-73.3162.4-179.769.90000112.6S753 N754 L755 D783 S786S751-S753 PolarHBondContact O-N 2.58Å; S751-N754 WeakPolarHBondContact CB-OD1 3.46Å; S751-N754 PolarHBondContact N-OD1 3.49Å; S751-N754 WeakPolarHBondContact O-CB 3.25Å; S751-N754 PolarHBondContact O-N 3.25Å; S751-N754 VanDerWaalsContact OG-CG 3.25Å; S751-N754 PolarHBondContact OG-N 3.05Å; S751-N754 PolarHBondContact OG-OD1 3.49Å; S751-L755 WeakPolarHBondContact O-CD1 3.44Å; S751-L755 PolarHBondContact O-N 2.85Å; S751-D783 CarbonylContact C-O 3.5Å; S751-D783 VanDerWaalsContact CA-O 3.29Å; S751-D783 WeakPolarHBondContact CA-O 3.48Å; S751-D783 VanDerWaalsContact CB-O 3.32Å; S751-D783 WeakPolarHBondContact CB-O 3.42Å; S751-S786 PolarHBondContact OG-OG 2.79Å
752K91.7Very high83.4Confident46 Ų4618.7 Ų18.720%0.29%0.089CC..Hα-helixtrans-54.9-38.6172.7-69.4166.6174.6146.90111.9L755 Q756 F779 E780 L782 D783K752-L755 PolarHBondContact O-N 3.16Å; K752-Q756 PolarHBondContact O-N 3.37Å; K752-F779 WeakPolarHBondContact CE-O 3.31Å; K752-F779 HydrophobicContact CG-CE2 4.32Å; K752-F779 HydrophobicContact CG-CZ 4.36Å; K752-E780 WeakPolarHBondContact CE-O 3.4Å; K752-E780 PolarHBondContact NZ-O 3.43Å; K752-L782 WeakPolarHBondContact CE-O 3.15Å; K752-L782 HydrophobicContact CG-CB 3.91Å; K752-L782 PolarHBondContact NZ-O 3.46Å; K752-D783 PolarHBondContact N-O 2.84Å
753S87.1Confident84.1Confident7 Ų718.7 Ų18.75%0.0499%0.09CC..Hα-helixtrans-56.7-49.3172.2-175.90000111.8T513 S751 L755 Q756 Q757 Q784T513-S753 VanDerWaalsContact CB-OG 3.29Å; T513-S753 WeakPolarHBondContact CB-OG 3.31Å; T513-S753 PolarHBondContact O-OG 2.84Å; T513-S753 PolarHBondContact OG1-OG 2.96Å; S751-S753 PolarHBondContact O-N 2.58Å; S753-L755 PolarHBondContact O-N 3.04Å; S753-Q756 PolarHBondContact O-N 2.92Å; S753-Q757 WeakPolarHBondContact O-CG 3.33Å; S753-Q757 PolarHBondContact O-N 2.86Å; S753-Q757 VanDerWaalsContact O-N 3.12Å; S753-Q784 VanDerWaalsContact CB-O 3.27Å; S753-Q784 WeakPolarHBondContact CB-O 3.47Å; S753-Q784 PolarHBondContact N-O 2.67Å
754N90.1Very high84.5Confident26 Ų2618.3 Ų18.314%0.1399%0.087CC..Hα-helixtrans-59.7-47.2176.8-58.6125.2000111.6E714 A750 S751 Q756 Q757 R758 S786E714-N754 WeakPolarHBondContact OE1-CA 3.48Å; E714-N754 WeakPolarHBondContact OE1-CB 3.47Å; E714-N754 VanDerWaalsContact OE1-CG 3.25Å; E714-N754 PolarHBondContact OE1-ND2 2.68Å; A750-N754 HydrophobicContact CB-CB 3.87Å; S751-N754 WeakPolarHBondContact CB-OD1 3.46Å; S751-N754 PolarHBondContact N-OD1 3.49Å; S751-N754 WeakPolarHBondContact O-CB 3.25Å; S751-N754 PolarHBondContact O-N 3.25Å; S751-N754 VanDerWaalsContact OG-CG 3.25Å; S751-N754 PolarHBondContact OG-N 3.05Å; S751-N754 PolarHBondContact OG-OD1 3.49Å; N754-Q756 VanDerWaalsContact C-N 3.32Å; N754-Q756 PolarHBondContact O-N 3.15Å; N754-Q757 PolarHBondContact O-N 2.9Å; N754-Q757 VanDerWaalsContact O-N 3.15Å; N754-R758 WeakPolarHBondContact O-CG 3.24Å; N754-R758 PolarHBondContact O-N 2.85Å; N754-S786 PolarHBondContact OD1-OG 2.84Å
755L92.6Very high84.8Confident1 Ų121.6 Ų21.61%0.00511%0.11CC..Hα-helixtrans-59.6-40.1178.2-91.862000112.1D727 C729 A750 S751 K752 S753 Q757 R758 C759 F779 L782D727-L755 WeakPolarHBondContact OD2-CG 3.47Å; C729-L755 HydrophobicContact CB-CD1 4.22Å; C729-L755 HydrophobicContact CB-CD2 4.33Å; A750-L755 HydrophobicContact CB-CD1 3.82Å; S751-L755 WeakPolarHBondContact O-CD1 3.44Å; S751-L755 PolarHBondContact O-N 2.85Å; K752-L755 PolarHBondContact O-N 3.16Å; S753-L755 PolarHBondContact O-N 3.04Å; L755-Q757 PolarHBondContact O-N 2.9Å; L755-R758 PolarHBondContact O-N 3.23Å; L755-C759 WeakPolarHBondContact O-CB 3.35Å; L755-C759 PolarHBondContact O-N 3.05Å; L755-F779 HydrophobicContact CB-CE2 4.41Å; L755-F779 HydrophobicContact CD2-CD2 3.57Å; L755-F779 HydrophobicContact CD2-CE2 3.7Å; L755-L782 HydrophobicContact CD1-CD1 4.48Å; L755-L782 HydrophobicContact CD2-CD1 3.65Å
756Q88.4Confident85.2Confident56 Ų5622.1 Ų22.126%0.26212%0.115SC..Hα-helixtrans-64.7-38176-176.9169.7-5.200112.2E378 T513 K752 S753 N754 G760E378-Q756 PolarHBondContact OE1-NE2 3.04Å; T513-Q756 HydrophobicContact CG2-CB 4.21Å; T513-Q756 HydrophobicContact CG2-CG 3.93Å; K752-Q756 PolarHBondContact O-N 3.37Å; S753-Q756 PolarHBondContact O-N 2.92Å; N754-Q756 VanDerWaalsContact C-N 3.32Å; N754-Q756 PolarHBondContact O-N 3.15Å; Q756-G760 PolarHBondContact O-N 2.83Å
757Q87.6Confident85.9Confident3 Ų325.5 Ų25.51%0.01414%0.137CC..Hα-helixtrans-72-35.8177.2-65.8-172.121.100113.7T379 H482 A512 T513 E714 S753 N754 L755 G760 R761T379-Q757 HydrophobicContact CG2-CB 4.06Å; T379-Q757 HydrophobicContact CG2-CG 3.86Å; H482-Q757 PolarHBondContact CD2-NE2 3.34Å; A512-Q757 HydrophobicContact CB-CG 4.42Å; T513-Q757 PolarHBondContact OG1-NE2 3.35Å; E714-Q757 HydrophobicContact CG-CB 4.08Å; S753-Q757 WeakPolarHBondContact O-CG 3.33Å; S753-Q757 PolarHBondContact O-N 2.86Å; S753-Q757 VanDerWaalsContact O-N 3.12Å; N754-Q757 PolarHBondContact O-N 2.9Å; N754-Q757 VanDerWaalsContact O-N 3.15Å; L755-Q757 PolarHBondContact O-N 2.9Å; Q757-G760 CarbonylContact O-C 3.56Å; Q757-G760 PolarHBondContact O-N 2.85Å; Q757-R761 PolarHBondContact O-N 2.8Å; Q757-R761 PolarHBondContact O-NE 3.18Å
758R91.3Very high86.4Confident4 Ų424.6 Ų24.62%0.01513%0.133CC..Hα-helixtrans-63.5-49.8170.8-67.5176.3-174.2-174.46.4110.8F625 E714 D727 K730 N754 L755 G760 R761F625-R758 HydrophobicContact CD1-CG 3.99Å; F625-R758 HydrophobicContact CD2-CB 3.75Å; F625-R758 HydrophobicContact CD2-CG 3.72Å; F625-R758 HydrophobicContact CE1-CG 3.97Å; F625-R758 HydrophobicContact CE2-CB 3.62Å; F625-R758 HydrophobicContact CE2-CG 3.69Å; F625-R758 HydrophobicContact CG-CB 4.39Å; F625-R758 HydrophobicContact CG-CG 3.87Å; F625-R758 HydrophobicContact CZ-CB 4.17Å; F625-R758 HydrophobicContact CZ-CG 3.82Å; E714-R758 HydrophobicContact CG-CG 3.84Å; E714-R758 IonicContact OE2-CZ 2.71Å; E714-R758 IonicContact OE2-NE 3.52Å; E714-R758 PolarHBondContact OE2-NE 3.23Å; E714-R758 IonicContact OE2-NH2 3.47Å; E714-R758 PolarHBondContact OE2-NH2 2.6Å; D727-R758 VanDerWaalsContact OD1-CD 3.28Å; D727-R758 WeakPolarHBondContact OD1-CD 3.45Å; D727-R758 IonicContact OD1-CZ 2.78Å; D727-R758 IonicContact OD1-NE 2.25Å; D727-R758 IonicContact OD1-NH1 3.24Å; D727-R758 PolarHBondContact OD1-NH1 2.81Å; D727-R758 WeakPolarHBondContact OD2-CD 3.41Å; D727-R758 IonicContact OD2-NH1 3.74Å; K730-R758 PolarHBondContact O-NH1 3.01Å; K730-R758 PolarHBondContact O-NH2 2.78Å; N754-R758 WeakPolarHBondContact O-CG 3.24Å; N754-R758 PolarHBondContact O-N 2.85Å; L755-R758 PolarHBondContact O-N 3.23Å; R758-G760 VanDerWaalsContact C-N 3.29Å; R758-G760 PolarHBondContact O-N 3.23Å; R758-R761 WeakPolarHBondContact O-CB 3.45Å; R758-R761 PolarHBondContact O-N 2.88Å
759C89.8Confident86.8Confident0 Ų024.8 Ų24.80%013%0.134CC..Hα-helixtrans-52.7-46.1174.6174.90000111.6V538 L755 R761 A762 C770V538-C759 VanDerWaalsContact CG1-SG 3.58Å; L755-C759 WeakPolarHBondContact O-CB 3.35Å; L755-C759 PolarHBondContact O-N 3.05Å; C759-R761 PolarHBondContact O-N 2.94Å; C759-R761 VanDerWaalsContact O-N 3.16Å; C759-A762 PolarHBondContact O-N 2.64Å; C759-C770 HydrophobicContact CB-CB 4.18Å
760G84.5Confident87.1Confident2 Ų222.4 Ų22.42%0.02113%0.125CC..THydrogen-bonded Turntrans-78.319.8176.700000116.3T379 Q756 Q757 R758 A762 R764T379-G760 VanDerWaalsContact OG1-CA 3.3Å; T379-G760 WeakPolarHBondContact OG1-CA 3.49Å; T379-G760 PolarHBondContact OG1-O 2.95Å; Q756-G760 PolarHBondContact O-N 2.83Å; Q757-G760 CarbonylContact O-C 3.56Å; Q757-G760 PolarHBondContact O-N 2.85Å; R758-G760 VanDerWaalsContact C-N 3.29Å; R758-G760 PolarHBondContact O-N 3.23Å; G760-A762 CarbonylContact C-O 3.57Å; G760-R764 VanDerWaalsContact O-CZ 3.32Å; G760-R764 PolarHBondContact O-NE 2.99Å; G760-R764 PolarHBondContact O-NH2 3.23Å
761R86.6Confident87.3Confident11 Ų1122.3 Ų22.34%0.04212%0.124CC..THydrogen-bonded Turntrans-85.4-27.6157.5-58.8-62.7138.9175.9-8111.9L623 F625 A713 E714 V717 V725 Q757 R758 C759 R764L623-R761 HydrophobicContact CD2-CB 3.75Å; L623-R761 HydrophobicContact CD2-CG 4.08Å; F625-R761 HydrophobicContact CE2-CG 4.3Å; F625-R761 HydrophobicContact CZ-CG 4.06Å; A713-R761 WeakPolarHBondContact O-CD 3.17Å; A713-R761 WeakPolarHBondContact O-CG 3.29Å; A713-R761 PolarHBondContact O-NE 2.87Å; E714-R761 PolarHBondContact O-NE 3.23Å; E714-R761 PolarHBondContact O-NH2 3.4Å; V717-R761 PolarHBondContact O-NH1 2.96Å; V725-R761 HydrophobicContact CG2-CB 4.23Å; Q757-R761 PolarHBondContact O-N 2.8Å; Q757-R761 PolarHBondContact O-NE 3.18Å; R758-R761 WeakPolarHBondContact O-CB 3.45Å; R758-R761 PolarHBondContact O-N 2.88Å; C759-R761 PolarHBondContact O-N 2.94Å; C759-R761 VanDerWaalsContact O-N 3.16Å; R761-R764 VanDerWaalsContact NH1-NH2 3.17Å
762A86.8Confident87.5Confident2 Ų222.1 Ų22.12%0.01712%0.123CC..SBendtrans-79.4170.6159.900000111V538 V723 V725 C759 G760V538-A762 HydrophobicContact CG1-CB 4.12Å; V538-A762 HydrophobicContact CG2-CB 4.11Å; V538-A762 WeakPolarHBondContact CG2-O 3.37Å; V723-A762 WeakPolarHBondContact O-CB 3.46Å; V725-A762 HydrophobicContact CG2-CB 3.97Å; C759-A762 PolarHBondContact O-N 2.64Å; G760-A762 CarbonylContact C-O 3.57Å
763G79.8Confident87.7Confident6 Ų621.1 Ų21.16%0.06212%0.119CC..SBendtrans76.620.8174.900000115.1F536 Q766F536-G763 PolarHBondContact N-O 3.3Å; F536-G763 VanDerWaalsContact N-O 3.14Å; G763-Q766 CarbonylContact C-O 3.52Å; G763-Q766 VanDerWaalsContact CA-O 3.31Å; G763-Q766 WeakPolarHBondContact CA-O 3.42Å
764R74.1Confident88Confident23 Ų2320.9 Ų20.99%0.08712%0.117CC..SBendtrans-94.6-51.7-173.9-66.7-173.9171.7-153.9-5.2113.9L535 F536 V717 G760 R761L535-R764 WeakPolarHBondContact CB-O 3.33Å; L535-R764 VanDerWaalsContact CD1-O 3.25Å; L535-R764 WeakPolarHBondContact CD1-O 3.34Å; F536-R764 WeakPolarHBondContact CD2-O 3.34Å; F536-R764 WeakPolarHBondContact CE2-O 3.26Å; V717-R764 PolarHBondContact O-NH1 2.99Å; G760-R764 VanDerWaalsContact O-CZ 3.32Å; G760-R764 PolarHBondContact O-NE 2.99Å; G760-R764 PolarHBondContact O-NH2 3.23Å; R761-R764 VanDerWaalsContact NH1-NH2 3.17Å
765C72Confident88.2Confident81 Ų8119.6 Ų19.655%0.54711%0.111SC..SBendtrans-111.4-11-179.1-61.30000113.2F536 S720F536-C765 WeakPolarHBondContact CE2-O 3.46Å; F536-C765 WeakPolarHBondContact CZ-O 3.46Å; S720-C765 WeakPolarHBondContact O-CB 3.45Å; S720-C765 PolarHBondContact O-SG 2.98Å
766Q79.6Confident88.3Confident88 Ų8822.5 Ų22.541%0.41112%0.123SC..SBendtrans-162166.6171.756-174.6-15.900108.8F536 K619 V723 G763F536-Q766 VanDerWaalsContact CD2-N 3.34Å; F536-Q766 VanDerWaalsContact CG-C 3.42Å; K619-Q766 PolarHBondContact O-NE2 3.4Å; V723-Q766 HydrophobicContact CG2-CG 3.94Å; G763-Q766 CarbonylContact C-O 3.52Å; G763-Q766 VanDerWaalsContact CA-O 3.31Å; G763-Q766 WeakPolarHBondContact CA-O 3.42Å
767P86.9Confident88.6Confident75 Ų7520.2 Ų20.249%0.48711%0.114SC..  trans-57149.5175.4-23.634.9000112.2F536 S537F536-P767 HydrophobicContact CB-CB 4.44Å; F536-P767 HydrophobicContact CB-CG 4.18Å; F536-P767 HydrophobicContact CD1-CG 3.96Å; F536-P767 HydrophobicContact CG-CG 4.41Å; S537-P767 WeakPolarHBondContact O-CA 3.42Å
768G89.8Confident88.8Confident4 Ų421.9 Ų21.94%0.04112%0.12CC..EExtended strand (participates in β ladder)trans-142.1-179.6-173.200000115.2S537 V538 T539 V723S537-G768 PolarHBondContact O-N 3.34Å; V538-G768 WeakPolarHBondContact CA-O 3.44Å; T539-G768 PolarHBondContact N-O 2.55Å; V723-G768 CarbonylContact O-C 3.56Å; V723-G768 WeakPolarHBondContact O-CA 3.46Å
769V92.5Very high88.9Confident27 Ų2723.8 Ų23.816%0.16413%0.128CC..EExtended strand (participates in β ladder)trans-133139.4-176.7-177.30000110.1T539 Y541 V723 M724 V725 F771T539-V769 CarbonylContact O-C 3.57Å; T539-V769 WeakPolarHBondContact O-CA 3.45Å; Y541-V769 HydrophobicContact CD2-CG1 3.53Å; Y541-V769 HydrophobicContact CE2-CG1 3.52Å; V723-V769 PolarHBondContact O-N 2.97Å; M724-V769 CarbonylContact C-O 3.55Å; M724-V769 WeakPolarHBondContact CA-O 3.32Å; V725-V769 PolarHBondContact N-O 2.95Å; V769-F771 HydrophobicContact CB-CE2 4.49Å; V769-F771 HydrophobicContact CG1-CD2 3.88Å; V769-F771 HydrophobicContact CG1-CE2 3.41Å; V769-F771 VanDerWaalsContact CG1-CE2 3.41Å; V769-F771 HydrophobicContact CG1-CZ 4.02Å
770C94.9Very high89.1Confident0 Ų030 Ų300%016%0.158CC..EExtended strand (participates in β ladder)trans-128.1122.9173.8-172.60000110.9V538 T539 R540 Y541 V725 C759 H772V538-C770 HydrophobicContact CG1-CB 3.81Å; T539-C770 PolarHBondContact O-N 2.97Å; R540-C770 WeakPolarHBondContact CA-O 3.44Å; Y541-C770 PolarHBondContact N-O 3.18Å; V725-C770 HydrophobicContact CB-CB 4.3Å; V725-C770 CarbonylContact O-C 3.05Å; V725-C770 WeakPolarHBondContact O-CA 3.32Å; C759-C770 HydrophobicContact CB-CB 4.18Å; C770-H772 VanDerWaalsContact SG-CE1 3.59Å
771F95.8Very high89.3Confident1 Ų135.4 Ų35.40%0.00418%0.177CC..EExtended strand (participates in β ladder)trans-101.2110.4173.3-69.3-91.6000109.4Y541 A546 M549 I609 M724 V725 D727 V769Y541-F771 HydrophobicContact CD2-CD1 4.02Å; Y541-F771 AromaticContact CD2-CE1 3.51Å; Y541-F771 HydrophobicContact CD2-CE1 3.51Å; Y541-F771 HydrophobicContact CD2-CE2 4.13Å; Y541-F771 AromaticContact CD2-CZ 3.58Å; Y541-F771 HydrophobicContact CD2-CZ 3.58Å; Y541-F771 HydrophobicContact CE2-CE1 4.37Å; Y541-F771 HydrophobicContact CE2-CZ 4.1Å; Y541-F771 HydrophobicContact CG-CD1 4.24Å; Y541-F771 AromaticContact CG-CE1 3.95Å; Y541-F771 HydrophobicContact CG-CE1 3.95Å; Y541-F771 HydrophobicContact CG-CZ 4.46Å; Y541-F771 CarbonylContact O-C 3.2Å; Y541-F771 WeakPolarHBondContact O-CA 3.48Å; A546-F771 HydrophobicContact CB-CD1 3.94Å; A546-F771 HydrophobicContact CB-CE1 4.42Å; M549-F771 HydrophobicContact CE-CE1 4.36Å; M549-F771 HydrophobicContact CE-CZ 4.11Å; M549-F771 HydrophobicContact SD-CE1 4Å; M549-F771 HydrophobicContact SD-CZ 4.32Å; I609-F771 HydrophobicContact CD1-CD1 4.39Å; I609-F771 HydrophobicContact CD1-CG 4.49Å; I609-F771 HydrophobicContact CG2-CD1 4.09Å; I609-F771 HydrophobicContact CG2-CD2 3.8Å; I609-F771 HydrophobicContact CG2-CE1 3.95Å; I609-F771 HydrophobicContact CG2-CE2 3.64Å; I609-F771 HydrophobicContact CG2-CG 4.02Å; I609-F771 HydrophobicContact CG2-CZ 3.72Å; M724-F771 HydrophobicContact CE-CD2 3.56Å; M724-F771 HydrophobicContact CE-CE2 3.61Å; V725-F771 PolarHBondContact O-N 3.26Å; D727-F771 PolarHBondContact N-O 2.87Å; V769-F771 HydrophobicContact CB-CE2 4.49Å; V769-F771 HydrophobicContact CG1-CD2 3.88Å; V769-F771 HydrophobicContact CG1-CE2 3.41Å; V769-F771 VanDerWaalsContact CG1-CE2 3.41Å; V769-F771 HydrophobicContact CG1-CZ 4.02Å
772H96.4Very high89.5Confident2 Ų235.4 Ų35.41%0.00918%0.178CC..EExtended strand (participates in β ladder)trans-89114.4171.4-65.3-65.8000109.1Y541 F542 L543 D727 C770 C774Y541-H772 PolarHBondContact O-N 3.11Å; F542-H772 CarbonylContact C-O 3.58Å; F542-H772 WeakPolarHBondContact CA-O 3.34Å; F542-H772 HydrophobicContact CD1-CB 4.21Å; F542-H772 HydrophobicContact CE1-CB 4.42Å; L543-H772 PolarHBondContact N-O 2.89Å; D727-H772 IonicContact OD2-ND1 3.96Å; C770-H772 VanDerWaalsContact SG-CE1 3.59Å; H772-C774 PolarHBondContact O-N 3.15Å
773L95.3Very high89.5Confident25 Ų2540.5 Ų40.513%0.13121%0.205CC..SBendtrans-8252.7-178.5-55.5-179.3000112.1L605 I606 I609 I726 D727L605-L773 HydrophobicContact CD2-CD2 4.11Å; I606-L773 HydrophobicContact CD1-CD1 4.04Å; I606-L773 HydrophobicContact CG1-CD1 3.71Å; I609-L773 HydrophobicContact CD1-CD2 3.89Å; I726-L773 HydrophobicContact CG2-CD1 3.83Å; I726-L773 HydrophobicContact CG2-CG 4.26Å; D727-L773 WeakPolarHBondContact O-CB 3.45Å; D727-L773 PolarHBondContact O-N 3.05Å
774C94Very high89.9Confident1 Ų144.7 Ų44.71%0.00722%0.223CC..SBendtrans-143.7155.8167.862.80000109.3L543 C729 W749 H772 R778L543-C774 VanDerWaalsContact CB-C 3.47Å; L543-C774 WeakPolarHBondContact CB-O 3.29Å; L543-C774 PolarHBondContact N-O 3.4Å; C729-C774 HydrophobicContact CB-CB 4.32Å; C729-C774 VanDerWaalsContact SG-SG 3.68Å; W749-C774 HydrophobicContact CH2-CB 3.96Å; W749-C774 HydrophobicContact CZ3-CB 3.76Å; H772-C774 PolarHBondContact O-N 3.15Å; C774-R778 HydrophobicContact CB-CB 4.16Å; C774-R778 HydrophobicContact CB-CG 3.9Å
775S94.3Very high90.5Very high0 Ų048.2 Ų48.20%024%0.237CC..  trans-69157.8177.570.80000111.8E544 L577 A777 R778 F779E544-S775 VanDerWaalsContact OE2-CA 3.28Å; E544-S775 WeakPolarHBondContact OE2-CA 3.42Å; L577-S775 PolarHBondContact O-OG 3.31Å; S775-A777 PolarHBondContact O-N 2.88Å; S775-R778 PolarHBondContact O-N 3.33Å; S775-R778 PolarHBondContact OG-N 3.09Å; S775-R778 VanDerWaalsContact OG-N 3.11Å; S775-F779 PolarHBondContact O-N 3.18Å
776K94.4Very high91Very high62 Ų6247.1 Ų47.127%0.2723%0.23SC..Hα-helixtrans-54.5-41.6170.9-79.1162.8-162.9151.50112.2F542 E544 D545 Y585 R778 F779 E780F542-K776 HydrophobicContact CB-CG 3.98Å; F542-K776 HydrophobicContact CD1-CG 3.98Å; F542-K776 HydrophobicContact CD2-CD 4.08Å; F542-K776 HydrophobicContact CD2-CG 3.7Å; F542-K776 HydrophobicContact CE1-CG 4.41Å; F542-K776 HydrophobicContact CE2-CG 4.12Å; F542-K776 HydrophobicContact CG-CD 4.34Å; F542-K776 HydrophobicContact CG-CG 3.59Å; F542-K776 HydrophobicContact CZ-CG 4.45Å; E544-K776 WeakPolarHBondContact OE1-CB 3.37Å; E544-K776 WeakPolarHBondContact OE1-CD 3.18Å; E544-K776 WeakPolarHBondContact OE1-CE 3.34Å; E544-K776 WeakPolarHBondContact OE1-CG 3.42Å; E544-K776 PolarHBondContact OE1-N 2.94Å; E544-K776 IonicContact OE1-NZ 2.97Å; D545-K776 VanDerWaalsContact CG-NZ 3.3Å; D545-K776 IonicContact OD1-NZ 3.25Å; D545-K776 PolarHBondContact OD1-NZ 3.34Å; D545-K776 WeakPolarHBondContact OD2-CE 3.11Å; D545-K776 IonicContact OD2-NZ 2.83Å; D545-K776 PolarHBondContact OD2-NZ 2.97Å; Y585-K776 PolarHBondContact OH-NZ 3.36Å; K776-R778 VanDerWaalsContact C-N 3.3Å; K776-R778 PolarHBondContact O-N 3.23Å; K776-F779 PolarHBondContact O-N 2.68Å; K776-F779 VanDerWaalsContact O-N 3.14Å; K776-E780 WeakPolarHBondContact O-CG 3.4Å; K776-E780 PolarHBondContact O-N 2.66Å
777A93.2Very high91.2Very high7 Ų746.2 Ų46.26%0.05823%0.226CC..Hα-helixtrans-61-34.9176.300000113.2L577 I580 S775L577-A777 HydrophobicContact CB-CB 4.33Å; I580-A777 HydrophobicContact CB-CB 3.82Å; I580-A777 HydrophobicContact CG2-CB 3.87Å; I580-A777 WeakPolarHBondContact O-CB 3.28Å; S775-A777 PolarHBondContact O-N 2.88Å
778R92.7Very high91.3Very high38 Ų3843 Ų4314%0.14321%0.205CC..Hα-helixtrans-70.4-48.1170.3175.557.870.6-158.6-8.4111.6E575 L577 E598 W749 C774 S775 K776 E780 R781 L782E575-R778 PolarHBondContact O-NH2 3.47Å; L577-R778 HydrophobicContact CB-CB 4.05Å; L577-R778 HydrophobicContact CD1-CB 4.01Å; E598-R778 VanDerWaalsContact CD-NH2 3.29Å; E598-R778 IonicContact OE1-CZ 2.71Å; E598-R778 VanDerWaalsContact OE1-CZ 3.31Å; E598-R778 IonicContact OE1-NE 2.7Å; E598-R778 PolarHBondContact OE1-NE 3.3Å; E598-R778 IonicContact OE1-NH2 2.67Å; E598-R778 PolarHBondContact OE1-NH2 2.88Å; E598-R778 VanDerWaalsContact OE1-NH2 3.09Å; E598-R778 IonicContact OE2-CZ 3.47Å; E598-R778 IonicContact OE2-NE 3.67Å; E598-R778 IonicContact OE2-NH2 3.52Å; E598-R778 PolarHBondContact OE2-NH2 3.01Å; W749-R778 HydrophobicContact CD2-CG 4.31Å; W749-R778 HydrophobicContact CE3-CG 4.46Å; W749-R778 HydrophobicContact CH2-CG 3.93Å; W749-R778 HydrophobicContact CZ2-CG 3.72Å; W749-R778 HydrophobicContact CZ3-CG 4.31Å; C774-R778 HydrophobicContact CB-CB 4.16Å; C774-R778 HydrophobicContact CB-CG 3.9Å; S775-R778 PolarHBondContact O-N 3.33Å; S775-R778 PolarHBondContact OG-N 3.09Å; S775-R778 VanDerWaalsContact OG-N 3.11Å; K776-R778 VanDerWaalsContact C-N 3.3Å; K776-R778 PolarHBondContact O-N 3.23Å; R778-E780 VanDerWaalsContact C-N 3.3Å; R778-E780 PolarHBondContact O-N 3.22Å; R778-R781 CarbonylContact O-C 3.37Å; R778-R781 PolarHBondContact O-N 2.99Å; R778-R781 VanDerWaalsContact O-N 3.11Å; R778-L782 HydrophobicContact CG-CD2 4.35Å; R778-L782 WeakPolarHBondContact O-CG 3.26Å; R778-L782 PolarHBondContact O-N 2.99Å; R778-L782 VanDerWaalsContact O-N 3.12Å
779F94.2Very high91.1Very high44 Ų4445.3 Ų45.319%0.19322%0.215CC..Hα-helixtrans-55.1-44.6179.3178.8-99.4000112.4F542 K752 L755 S775 K776 R781 L782F542-F779 HydrophobicContact CD1-CB 4.14Å; F542-F779 HydrophobicContact CD1-CG 4.46Å; F542-F779 HydrophobicContact CE1-CB 3.62Å; F542-F779 AromaticContact CE1-CD1 3.89Å; F542-F779 HydrophobicContact CE1-CD1 3.89Å; F542-F779 AromaticContact CE1-CD2 3.83Å; F542-F779 HydrophobicContact CE1-CD2 3.83Å; F542-F779 HydrophobicContact CE1-CE2 4.49Å; F542-F779 AromaticContact CE1-CG 3.5Å; F542-F779 HydrophobicContact CE1-CG 3.5Å; F542-F779 VanDerWaalsContact CE1-CG 3.5Å; F542-F779 HydrophobicContact CZ-CD1 4.09Å; F542-F779 HydrophobicContact CZ-CE1 4.42Å; F542-F779 HydrophobicContact CZ-CG 4.14Å; K752-F779 WeakPolarHBondContact CE-O 3.31Å; K752-F779 HydrophobicContact CG-CE2 4.32Å; K752-F779 HydrophobicContact CG-CZ 4.36Å; L755-F779 HydrophobicContact CB-CE2 4.41Å; L755-F779 HydrophobicContact CD2-CD2 3.57Å; L755-F779 HydrophobicContact CD2-CE2 3.7Å; S775-F779 PolarHBondContact O-N 3.18Å; K776-F779 PolarHBondContact O-N 2.68Å; K776-F779 VanDerWaalsContact O-N 3.14Å; F779-R781 VanDerWaalsContact C-N 3.31Å; F779-R781 PolarHBondContact O-N 3.3Å; F779-L782 HydrophobicContact CD2-CD1 4.12Å; F779-L782 WeakPolarHBondContact O-CB 3.18Å; F779-L782 PolarHBondContact O-N 3.25Å; F779-L782 VanDerWaalsContact O-N 3.17Å
780E92.8Very high90.9Very high132 Ų13244.1 Ų44.162%0.61721%0.207SC*.Hα-helixtrans-61.4-37.3177.9-73.3170.3179.800112.8K752 K776 R778K752-E780 WeakPolarHBondContact CE-O 3.4Å; K752-E780 PolarHBondContact NZ-O 3.43Å; K776-E780 WeakPolarHBondContact O-CG 3.4Å; K776-E780 PolarHBondContact O-N 2.66Å; R778-E780 VanDerWaalsContact C-N 3.3Å; R778-E780 PolarHBondContact O-N 3.22Å
781R90Very high90.4Very high115 Ų11546.8 Ų46.843%0.43422%0.222SC..THydrogen-bonded Turntrans-86.14.3176.8-74.5171.917586.9-19.6114.4E575 L577 R778 F779E575-R781 IonicContact OE1-CZ 3.21Å; E575-R781 IonicContact OE1-NH2 2.71Å; E575-R781 PolarHBondContact OE1-NH2 2.95Å; E575-R781 IonicContact OE2-CZ 2.62Å; E575-R781 VanDerWaalsContact OE2-CZ 3.25Å; E575-R781 IonicContact OE2-NE 2.79Å; E575-R781 PolarHBondContact OE2-NE 2.91Å; E575-R781 IonicContact OE2-NH2 3.83Å; E575-R781 PolarHBondContact OE2-NH2 3.29Å; L577-R781 HydrophobicContact CD1-CB 4.09Å; L577-R781 HydrophobicContact CD1-CG 4.33Å; R778-R781 CarbonylContact O-C 3.37Å; R778-R781 PolarHBondContact O-N 2.99Å; R778-R781 VanDerWaalsContact O-N 3.11Å; F779-R781 VanDerWaalsContact C-N 3.31Å; F779-R781 PolarHBondContact O-N 3.3Å
782L89.9Confident89.7Confident10 Ų1048.5 Ų48.55%0.05223%0.228CC..SBendtrans-71.6146.1173.2-69.2179.2000111.9W749 K752 L755 R778 F779W749-L782 HydrophobicContact CB-CD2 3.6Å; W749-L782 HydrophobicContact CD2-CD2 4.2Å; W749-L782 HydrophobicContact CG-CD2 3.83Å; K752-L782 WeakPolarHBondContact CE-O 3.15Å; K752-L782 HydrophobicContact CG-CB 3.91Å; K752-L782 PolarHBondContact NZ-O 3.46Å; L755-L782 HydrophobicContact CD1-CD1 4.48Å; L755-L782 HydrophobicContact CD2-CD1 3.65Å; R778-L782 HydrophobicContact CG-CD2 4.35Å; R778-L782 WeakPolarHBondContact O-CG 3.26Å; R778-L782 PolarHBondContact O-N 2.99Å; R778-L782 VanDerWaalsContact O-N 3.12Å; F779-L782 HydrophobicContact CD2-CD1 4.12Å; F779-L782 WeakPolarHBondContact O-CB 3.18Å; F779-L782 PolarHBondContact O-N 3.25Å; F779-L782 VanDerWaalsContact O-N 3.17Å
783D87.1Confident88.9Confident110 Ų11049.4 Ų49.459%0.58824%0.235SC*.  trans-58.2143.1169.9-59.2-61.5000110.9S751 K752S751-D783 CarbonylContact C-O 3.5Å; S751-D783 VanDerWaalsContact CA-O 3.29Å; S751-D783 WeakPolarHBondContact CA-O 3.48Å; S751-D783 VanDerWaalsContact CB-O 3.32Å; S751-D783 WeakPolarHBondContact CB-O 3.42Å; K752-D783 PolarHBondContact N-O 2.84Å
784Q88Confident88.2Confident93 Ų9350.2 Ų50.244%0.43524%0.241SC..SBendtrans-71-41.7-177.5-1776410.800112.2S753S753-Q784 VanDerWaalsContact CB-O 3.27Å; S753-Q784 WeakPolarHBondContact CB-O 3.47Å; S753-Q784 PolarHBondContact N-O 2.67Å
785Y85.8Confident87.9Confident98 Ų9850.2 Ų50.238%0.38424%0.241SC..SBendtrans-131.1163.8179.9-53.2-73.4000110D515D515-Y785 HydrophobicContact CB-CE2 4.04Å; D515-Y785 PolarHBondContact N-OH 3.28Å
786S83.7Confident87.5Confident58 Ų5851.8 Ų51.841%0.40625%0.249SC..PPolyproline II helixtrans-89.2152.8179.5-67.70000112.9S751 N754 P788S751-S786 PolarHBondContact OG-OG 2.79Å; N754-S786 PolarHBondContact OD1-OG 2.84Å; S786-P788 WeakPolarHBondContact O-CD 3.49Å
787E83.5Confident87.1Confident68 Ų6851.4 Ų51.432%0.31825%0.248SC..PPolyproline II helixtrans-56.5116.8171.9-177.3-177.8-138.700110.7K199 R792K199-E787 IonicContact NZ-OE1 2.87Å; E787-R792 PolarHBondContact O-NE 3.31Å
788P88.3Confident86.9Confident8 Ų851.4 Ų51.45%0.05225%0.247CC..PPolyproline II helixtrans-53.5144.2178.2-26.733.7000112.4R484 S786 M790 L791 Q819R484-P788 HydrophobicContact CB-CB 3.98Å; R484-P788 HydrophobicContact CB-CG 4.29Å; S786-P788 WeakPolarHBondContact O-CD 3.49Å; P788-M790 VanDerWaalsContact C-N 3.26Å; P788-M790 PolarHBondContact O-N 3.18Å; P788-L791 HydrophobicContact CB-CG 4.34Å; P788-L791 HydrophobicContact CG-CD1 4.36Å; P788-L791 PolarHBondContact O-N 3.45Å; P788-Q819 VanDerWaalsContact CG-OE1 3.31Å
789E87Confident86.9Confident52 Ų5249.6 Ų49.624%0.24324%0.24CC..G310 helixtrans-66.5-30.2-175.1-168.2153.5-101.600113.1R484 V486 L791 R792 S793R484-E789 PolarHBondContact O-N 2.86Å; V486-E789 HydrophobicContact CG2-CB 3.8Å; V486-E789 HydrophobicContact CG2-CG 3.61Å; E789-L791 PolarHBondContact O-N 2.85Å; E789-L791 VanDerWaalsContact O-N 3.08Å; E789-R792 VanDerWaalsContact CB-NH2 3.34Å; E789-R792 WeakPolarHBondContact O-CG 3.44Å; E789-R792 PolarHBondContact O-N 2.92Å; E789-R792 IonicContact OE1-CZ 2.65Å; E789-R792 IonicContact OE1-NH1 2.75Å; E789-R792 PolarHBondContact OE1-NH1 2.77Å; E789-R792 IonicContact OE1-NH2 3.22Å; E789-R792 PolarHBondContact OE1-NH2 3.41Å; E789-S793 WeakPolarHBondContact CG-OG 3.11Å; E789-S793 WeakPolarHBondContact O-CB 3.47Å; E789-S793 PolarHBondContact O-N 3.11Å
790M88.4Confident86.6Confident2 Ų247.6 Ų47.61%0.0123%0.231CC..G310 helixtrans-60.2-19.9178.5-167.9171.6-72.500113.2V486 D489 F490 P788 L795 L814 A817 P821V486-M790 HydrophobicContact CG1-CB 4.26Å; V486-M790 HydrophobicContact CG1-CE 3.72Å; V486-M790 HydrophobicContact CG1-CG 4.2Å; V486-M790 WeakPolarHBondContact O-CE 3.46Å; D489-M790 HydrophobicContact CB-CE 3.7Å; D489-M790 HydrophobicContact CB-SD 4.47Å; F490-M790 HydrophobicContact CB-CE 4.37Å; P788-M790 VanDerWaalsContact C-N 3.26Å; P788-M790 PolarHBondContact O-N 3.18Å; M790-L795 HydrophobicContact CG-CD2 4.16Å; M790-L814 HydrophobicContact CE-CD2 4.43Å; M790-L814 HydrophobicContact SD-CD2 4.35Å; M790-A817 HydrophobicContact SD-CB 3.89Å; M790-P821 HydrophobicContact CG-CB 4.1Å; M790-P821 HydrophobicContact CG-CG 4.21Å; M790-P821 HydrophobicContact SD-CG 4.37Å
791L84.7Confident86.4Confident57 Ų5741.4 Ų41.430%0.29820%0.203SC..G310 helixtrans-88.6-8.1177.3-51.5-175.1000114P788 E789 P820P788-L791 HydrophobicContact CB-CG 4.34Å; P788-L791 HydrophobicContact CG-CD1 4.36Å; P788-L791 PolarHBondContact O-N 3.45Å; E789-L791 PolarHBondContact O-N 2.85Å; E789-L791 VanDerWaalsContact O-N 3.08Å; L791-P820 VanDerWaalsContact CD2-O 3.26Å; L791-P820 WeakPolarHBondContact CD2-O 3.14Å
792R80.2Confident86.4Confident36 Ų3636 Ų3614%0.13618%0.182CC..THydrogen-bonded Turntrans-138.86.1-167.261.6172.3178.172.18.7115.9K734 Y736 E787 E789K734-R792 PolarHBondContact O-NH1 2.99Å; Y736-R792 PolarHBondContact N-O 2.83Å; E787-R792 PolarHBondContact O-NE 3.31Å; E789-R792 VanDerWaalsContact CB-NH2 3.34Å; E789-R792 WeakPolarHBondContact O-CG 3.44Å; E789-R792 PolarHBondContact O-N 2.92Å; E789-R792 IonicContact OE1-CZ 2.65Å; E789-R792 IonicContact OE1-NH1 2.75Å; E789-R792 PolarHBondContact OE1-NH1 2.77Å; E789-R792 IonicContact OE1-NH2 3.22Å; E789-R792 PolarHBondContact OE1-NH2 3.41Å
793S79.1Confident86.3Confident22 Ų2236.6 Ų36.615%0.15419%0.185CC..SBendtrans-126.6152.1-178-79.80000111.7E789E789-S793 WeakPolarHBondContact CG-OG 3.11Å; E789-S793 WeakPolarHBondContact O-CB 3.47Å; E789-S793 PolarHBondContact O-N 3.11Å
794P81Confident86.3Confident41 Ų4132.2 Ų32.227%0.26616%0.161SC..  trans-69.3139.3178.530.1-34.3000110.8Y736Y736-P794 HydrophobicContact CD1-CB 3.89Å; Y736-P794 HydrophobicContact CD1-CG 4.25Å; Y736-P794 HydrophobicContact CD2-CG 4.37Å; Y736-P794 HydrophobicContact CE1-CB 3.85Å; Y736-P794 HydrophobicContact CG-CB 4.33Å; Y736-P794 HydrophobicContact CG-CG 4.18Å
795L87.5Confident86.2Confident2 Ų227.9 Ų27.91%0.0114%0.141CC..  trans-101.77.6-167.5-58.1175.5000114.4V486 M790 E797 T798 V799 P821 V826 A829V486-L795 HydrophobicContact CG1-CD2 4.12Å; M790-L795 HydrophobicContact CG-CD2 4.16Å; L795-E797 PolarHBondContact O-N 3.12Å; L795-T798 WeakPolarHBondContact O-CB 3.49Å; L795-T798 PolarHBondContact O-N 3.23Å; L795-T798 VanDerWaalsContact O-N 3.09Å; L795-V799 HydrophobicContact CB-CG2 4.38Å; L795-V799 WeakPolarHBondContact O-CB 3.39Å; L795-V799 WeakPolarHBondContact O-CG2 3.44Å; L795-V799 PolarHBondContact O-N 3.18Å; L795-P821 HydrophobicContact CD1-CB 3.54Å; L795-P821 HydrophobicContact CD1-CG 3.86Å; L795-V826 HydrophobicContact CD1-CG2 3.81Å; L795-A829 HydrophobicContact CB-CB 4.04Å
796H86.1Confident86.2Confident33 Ų3325 Ų2515%0.15314%0.142CC..Hα-helixtrans-62.4-35.5-174.254-113.6000113.5L800 A829 L833 D858H796-L800 WeakPolarHBondContact O-CB 3.38Å; H796-L800 PolarHBondContact O-N 3.05Å; H796-A829 HydrophobicContact CB-CB 4.34Å; H796-L833 HydrophobicContact CB-CD2 4.41Å; H796-L833 HydrophobicContact CB-CG 4.33Å; H796-D858 IonicContact CE1-OD2 2.81Å; H796-D858 IonicContact NE2-OD2 3.22Å
797E86.1Confident86.3Confident54 Ų5424.5 Ų24.525%0.25213%0.134SC..Hα-helixtrans-67.3-40.4173.8-66.6178.6128.400111K459 L795 A801K459-E797 WeakPolarHBondContact CE-OE1 3.31Å; K459-E797 WeakPolarHBondContact CE-OE2 3.4Å; K459-E797 IonicContact NZ-OE1 2.89Å; K459-E797 PolarHBondContact NZ-OE1 3.23Å; K459-E797 IonicContact NZ-OE2 3.88Å; K459-E797 PolarHBondContact NZ-OE2 2.9Å; L795-E797 PolarHBondContact O-N 3.12Å; E797-A801 WeakPolarHBondContact O-CB 3.49Å; E797-A801 PolarHBondContact O-N 2.73Å
798T89Confident86.5Confident6 Ų623.2 Ų23.24%0.03714%0.139CC..Hα-helixtrans-66.7-47.4179.5-41.90000111.5V486 F490 L795 A801 V802 L814V486-T798 HydrophobicContact CG1-CG2 4.22Å; V486-T798 WeakPolarHBondContact CG1-OG1 3.15Å; F490-T798 HydrophobicContact CB-CG2 4.38Å; F490-T798 HydrophobicContact CD2-CG2 3.37Å; F490-T798 HydrophobicContact CE2-CG2 3.91Å; F490-T798 HydrophobicContact CG-CG2 4.16Å; L795-T798 WeakPolarHBondContact O-CB 3.49Å; L795-T798 PolarHBondContact O-N 3.23Å; L795-T798 VanDerWaalsContact O-N 3.09Å; T798-A801 WeakPolarHBondContact O-CB 3.37Å; T798-A801 PolarHBondContact O-N 2.86Å; T798-V802 WeakPolarHBondContact O-CG2 3.4Å; T798-V802 PolarHBondContact O-N 3.05Å; T798-L814 HydrophobicContact CG2-CD2 3.99Å
799V91.7Very high86.6Confident0 Ų025.2 Ų25.20%015%0.153CC..Hα-helixtrans-61.5-44.6176168.80000110.8L795 A801 V802 K803 L814 V826 A829 E830 L833L795-V799 HydrophobicContact CB-CG2 4.38Å; L795-V799 WeakPolarHBondContact O-CB 3.39Å; L795-V799 WeakPolarHBondContact O-CG2 3.44Å; L795-V799 PolarHBondContact O-N 3.18Å; V799-A801 PolarHBondContact O-N 3.31Å; V799-V802 WeakPolarHBondContact O-CB 3.3Å; V799-V802 PolarHBondContact O-N 2.89Å; V799-K803 WeakPolarHBondContact O-CG 3.23Å; V799-K803 PolarHBondContact O-N 2.77Å; V799-L814 HydrophobicContact CG2-CD1 4.18Å; V799-V826 HydrophobicContact CG2-CG1 4.38Å; V799-A829 HydrophobicContact CB-CB 4.37Å; V799-A829 HydrophobicContact CG2-CB 3.8Å; V799-E830 HydrophobicContact CG1-CG 3.65Å; V799-L833 HydrophobicContact CB-CD1 3.99Å; V799-L833 HydrophobicContact CG1-CD1 3.57Å
800L89.1Confident86.8Confident3 Ų322.7 Ų22.72%0.01614%0.141CC..Hα-helixtrans-61.9-33.7177-172.859.8000111.9H796 K803 L804 L833 A838 L845 L852 A853 P859H796-L800 WeakPolarHBondContact O-CB 3.38Å; H796-L800 PolarHBondContact O-N 3.05Å; L800-K803 PolarHBondContact O-N 2.7Å; L800-L804 PolarHBondContact O-N 2.83Å; L800-L833 HydrophobicContact CB-CD1 3.94Å; L800-L833 HydrophobicContact CB-CD2 4.22Å; L800-L833 HydrophobicContact CD1-CD2 4.28Å; L800-L833 HydrophobicContact CD2-CD2 4.2Å; L800-L833 HydrophobicContact CG-CD2 4.47Å; L800-A838 HydrophobicContact CD1-CB 4.3Å; L800-L845 HydrophobicContact CD1-CD1 3.62Å; L800-L852 HydrophobicContact CD2-CB 3.87Å; L800-A853 HydrophobicContact CD1-CB 4.49Å; L800-A853 HydrophobicContact CD2-CB 4.13Å; L800-A853 HydrophobicContact CG-CB 3.84Å; L800-P859 HydrophobicContact CD2-CB 4.3Å; L800-P859 HydrophobicContact CD2-CG 3.95Å
801A87.7Confident86.9Confident2 Ų224.9 Ų24.92%0.01716%0.155CC..Hα-helixtrans-74.3-33.9173.700000114.3F458 L463 F490 E797 T798 V799 K803 L804 L805F458-A801 HydrophobicContact CE1-CB 3.75Å; F458-A801 HydrophobicContact CE2-CB 4.5Å; F458-A801 HydrophobicContact CZ-CB 3.38Å; L463-A801 HydrophobicContact CD1-CB 4.28Å; L463-A801 HydrophobicContact CD2-CB 4.28Å; F490-A801 HydrophobicContact CZ-CB 4.06Å; E797-A801 WeakPolarHBondContact O-CB 3.49Å; E797-A801 PolarHBondContact O-N 2.73Å; T798-A801 WeakPolarHBondContact O-CB 3.37Å; T798-A801 PolarHBondContact O-N 2.86Å; V799-A801 PolarHBondContact O-N 3.31Å; A801-K803 PolarHBondContact O-N 3.38Å; A801-L804 PolarHBondContact O-N 2.97Å; A801-L805 WeakPolarHBondContact O-CB 3.14Å; A801-L805 WeakPolarHBondContact O-CG 3.5Å; A801-L805 PolarHBondContact O-N 3.01Å
802V90.2Very high87.2Confident0 Ų027.1 Ų27.10%017%0.167CC..Hα-helixtrans-53.8-43.8167.91780000109.6F490 T798 V799 G806 L807 F813F490-V802 HydrophobicContact CE2-CG2 3.78Å; T798-V802 WeakPolarHBondContact O-CG2 3.4Å; T798-V802 PolarHBondContact O-N 3.05Å; V799-V802 WeakPolarHBondContact O-CB 3.3Å; V799-V802 PolarHBondContact O-N 2.89Å; V802-G806 PolarHBondContact O-N 3.33Å; V802-L807 HydrophobicContact CG1-CB 3.86Å; V802-L807 PolarHBondContact O-N 3.37Å; V802-F813 HydrophobicContact CG1-CB 4.02Å; V802-F813 HydrophobicContact CG1-CD1 4.49Å; V802-F813 HydrophobicContact CG1-CG 4.17Å; V802-F813 HydrophobicContact CG2-CB 4.37Å; V802-F813 HydrophobicContact CG2-CD1 3.6Å; V802-F813 HydrophobicContact CG2-CE1 4.19Å; V802-F813 HydrophobicContact CG2-CG 4.1Å
803K89.2Confident87.8Confident24 Ų2425.6 Ų25.610%0.10416%0.161CC..Hα-helixtrans-75.4-37.9-177-60-69.7179.7176.60112.6V799 L800 A801 G806 G808 S810 E830 L839 S843 L845V799-K803 WeakPolarHBondContact O-CG 3.23Å; V799-K803 PolarHBondContact O-N 2.77Å; L800-K803 PolarHBondContact O-N 2.7Å; A801-K803 PolarHBondContact O-N 3.38Å; K803-G806 PolarHBondContact O-N 2.64Å; K803-G808 PolarHBondContact NZ-O 2.9Å; K803-S810 WeakPolarHBondContact CE-OG 3.46Å; K803-E830 WeakPolarHBondContact CE-OE1 3.36Å; K803-E830 IonicContact NZ-OE1 3.42Å; K803-L839 HydrophobicContact CB-CD2 4.13Å; K803-L839 HydrophobicContact CD-CD2 4.4Å; K803-L839 HydrophobicContact CG-CD2 3.87Å; K803-S843 WeakPolarHBondContact CD-O 3.5Å; K803-S843 WeakPolarHBondContact CE-O 3.32Å; K803-S843 PolarHBondContact NZ-O 3.25Å; K803-L845 HydrophobicContact CB-CB 4.39Å; K803-L845 HydrophobicContact CB-CD1 4.03Å
804L86.3Confident88.4Confident17 Ų1724.6 Ų24.69%0.08915%0.154CC..Hα-helixtrans-60-44.5171.9-177.368.6000112.1L800 A801 G806 L845 R850 A853L800-L804 PolarHBondContact O-N 2.83Å; A801-L804 PolarHBondContact O-N 2.97Å; L804-G806 VanDerWaalsContact C-N 3.25Å; L804-G806 PolarHBondContact O-N 3.48Å; L804-L845 HydrophobicContact CB-CD2 4.49Å; L804-L845 HydrophobicContact CD1-CD2 4.18Å; L804-R850 HydrophobicContact CD1-CG 4.1Å; L804-A853 HydrophobicContact CB-CB 3.99Å; L804-A853 HydrophobicContact CD1-CB 4.11Å; L804-A853 HydrophobicContact CD2-CB 3.77Å; L804-A853 HydrophobicContact CG-CB 4.17Å
805L85.2Confident89Confident2 Ų226.1 Ų26.11%0.0117%0.166CC..THydrogen-bonded Turntrans-82.56-178.9-63-178000113.8N295 L463 M466 E467 F490 I494 A801 L807N295-L805 VanDerWaalsContact O-O 3.1Å; L463-L805 HydrophobicContact CD1-CD1 3.76Å; L463-L805 HydrophobicContact CD1-CD2 4.19Å; L463-L805 HydrophobicContact CD1-CG 4.05Å; M466-L805 HydrophobicContact CB-CD1 4.09Å; M466-L805 HydrophobicContact CB-CD2 3.78Å; M466-L805 HydrophobicContact SD-CD1 4.42Å; E467-L805 HydrophobicContact CB-CD2 3.98Å; F490-L805 HydrophobicContact CE1-CD1 4.27Å; F490-L805 HydrophobicContact CZ-CD1 4.34Å; I494-L805 HydrophobicContact CD1-CD1 3.59Å; A801-L805 WeakPolarHBondContact O-CB 3.14Å; A801-L805 WeakPolarHBondContact O-CG 3.5Å; A801-L805 PolarHBondContact O-N 3.01Å; L805-L807 HydrophobicContact CB-CD1 3.63Å; L805-L807 HydrophobicContact CB-CG 3.7Å; L805-L807 HydrophobicContact CD1-CD1 3.85Å; L805-L807 HydrophobicContact CG-CD1 4.4Å; L805-L807 PolarHBondContact O-N 2.81Å
806G85.8Confident89.3Confident39 Ų3930 Ų3040%0.40218%0.183SC..THydrogen-bonded Turntrans64.320.8178.700000115V802 K803 L804 G808V802-G806 PolarHBondContact O-N 3.33Å; K803-G806 PolarHBondContact O-N 2.64Å; L804-G806 VanDerWaalsContact C-N 3.25Å; L804-G806 PolarHBondContact O-N 3.48Å; G806-G808 PolarHBondContact O-N 2.99Å; G806-G808 VanDerWaalsContact O-N 3.12Å
807L86.5Confident89.6Confident46 Ų4628.7 Ų28.724%0.24118%0.178CC..  trans-78.58.5-170.7-62.2169000114.1F490 I494 V802 L805 F813F490-L807 HydrophobicContact CZ-CD1 4.37Å; I494-L807 HydrophobicContact CD1-CD1 3.69Å; I494-L807 HydrophobicContact CG1-CD1 3.99Å; V802-L807 HydrophobicContact CG1-CB 3.86Å; V802-L807 PolarHBondContact O-N 3.37Å; L805-L807 HydrophobicContact CB-CD1 3.63Å; L805-L807 HydrophobicContact CB-CG 3.7Å; L805-L807 HydrophobicContact CD1-CD1 3.85Å; L805-L807 HydrophobicContact CG-CD1 4.4Å; L805-L807 PolarHBondContact O-N 2.81Å; L807-F813 HydrophobicContact CB-CD2 3.82Å; L807-F813 HydrophobicContact CB-CE2 4.05Å; L807-F813 HydrophobicContact CB-CG 4.48Å; L807-F813 HydrophobicContact CD1-CD2 4.28Å; L807-F813 HydrophobicContact CD1-CE2 3.68Å; L807-F813 HydrophobicContact CD1-CZ 3.86Å; L807-F813 HydrophobicContact CD2-CE2 4.38Å; L807-F813 HydrophobicContact CG-CE2 4.24Å
808G87.3Confident89.7Confident42 Ų4227.2 Ų27.243%0.43317%0.171SC..  trans95.6-127.916700000115.8K803 G806K803-G808 PolarHBondContact NZ-O 2.9Å; G806-G808 PolarHBondContact O-N 2.99Å; G806-G808 VanDerWaalsContact O-N 3.12Å
809S90.4Very high89.7Confident49 Ų4930.5 Ų30.534%0.34319%0.186SC..  trans-80.4127.8176.3165.40000110V811 N812 F813S809-V811 VanDerWaalsContact C-N 3.29Å; S809-V811 PolarHBondContact O-N 2.92Å; S809-N812 PolarHBondContact O-N 3.27Å; S809-N812 PolarHBondContact OG-N 3.47Å; S809-N812 PolarHBondContact OG-OD1 2.89Å; S809-N812 VanDerWaalsContact OG-OD1 3.12Å; S809-F813 WeakPolarHBondContact O-CB 3.28Å; S809-F813 PolarHBondContact O-N 2.71Å
810S91.6Very high89.7Confident0 Ų033.7 Ų33.70%021%0.207CC..Hα-helixtrans-61.6-39.3-179.7-40.60000112K803 F813 L814 E830K803-S810 WeakPolarHBondContact CE-OG 3.46Å; S810-F813 PolarHBondContact O-N 2.84Å; S810-L814 WeakPolarHBondContact O-CB 3.13Å; S810-L814 WeakPolarHBondContact O-CG 3.37Å; S810-L814 PolarHBondContact O-N 2.98Å; S810-E830 VanDerWaalsContact CB-OE1 3.27Å; S810-E830 WeakPolarHBondContact CB-OE1 3.43Å; S810-E830 PolarHBondContact OG-OE1 3.12Å
811V90.8Very high89.7Confident48 Ų4834.3 Ų34.329%0.29121%0.211SC..Hα-helixtrans-62.8-52.1174.6177.90000110.1S809 F813 L814 S815 L823 V826S809-V811 VanDerWaalsContact C-N 3.29Å; S809-V811 PolarHBondContact O-N 2.92Å; V811-F813 PolarHBondContact O-N 2.93Å; V811-L814 PolarHBondContact O-N 3.03Å; V811-S815 VanDerWaalsContact O-CB 3.25Å; V811-S815 WeakPolarHBondContact O-CB 3.13Å; V811-S815 PolarHBondContact O-N 3.17Å; V811-S815 PolarHBondContact O-OG 3.45Å; V811-L823 HydrophobicContact CB-CD1 4.45Å; V811-L823 HydrophobicContact CG1-CD1 3.63Å; V811-L823 HydrophobicContact CG2-CD1 3.93Å; V811-V826 HydrophobicContact CG2-CG1 3.9Å
812N90.6Very high89.4Confident104 Ų10435.9 Ų35.956%0.55622%0.221SC*.Hα-helixtrans-71.8-17.1-176.5-55.920.2000113.2S809 S815 K816S809-N812 PolarHBondContact O-N 3.27Å; S809-N812 PolarHBondContact OG-N 3.47Å; S809-N812 PolarHBondContact OG-OD1 2.89Å; S809-N812 VanDerWaalsContact OG-OD1 3.12Å; N812-S815 WeakPolarHBondContact CA-OG 3.28Å; N812-S815 PolarHBondContact O-OG 2.84Å; N812-K816 WeakPolarHBondContact O-CG 3.36Å
813F92.4Very high89.1Confident3 Ų338.2 Ų38.21%0.01323%0.234CC..Hα-helixtrans-83.9-51.9172.9-177.1-91.5000110.8F490 I493 I494 V802 L807 S809 S810 V811 S815 K816F490-F813 AromaticContact CD2-CE1 3.67Å; F490-F813 HydrophobicContact CD2-CE1 3.67Å; F490-F813 HydrophobicContact CD2-CZ 4.46Å; F490-F813 HydrophobicContact CE2-CD1 4.25Å; F490-F813 AromaticContact CE2-CE1 3.54Å; F490-F813 HydrophobicContact CE2-CE1 3.54Å; F490-F813 HydrophobicContact CE2-CZ 4.22Å; F490-F813 HydrophobicContact CG-CE1 4.49Å; F490-F813 HydrophobicContact CZ-CE1 4.25Å; I493-F813 HydrophobicContact CB-CE1 4.11Å; I493-F813 HydrophobicContact CB-CE2 4.28Å; I493-F813 HydrophobicContact CB-CZ 3.67Å; I493-F813 HydrophobicContact CD1-CD1 4.19Å; I493-F813 HydrophobicContact CD1-CE1 3.65Å; I493-F813 HydrophobicContact CD1-CZ 4.14Å; I493-F813 HydrophobicContact CG2-CD2 4.12Å; I493-F813 HydrophobicContact CG2-CE1 3.93Å; I493-F813 HydrophobicContact CG2-CE2 3.46Å; I493-F813 VanDerWaalsContact CG2-CE2 3.46Å; I493-F813 HydrophobicContact CG2-CZ 3.35Å; I494-F813 HydrophobicContact CD1-CZ 4.44Å; I494-F813 HydrophobicContact CG1-CE2 4.24Å; I494-F813 HydrophobicContact CG1-CZ 3.72Å; V802-F813 HydrophobicContact CG1-CB 4.02Å; V802-F813 HydrophobicContact CG1-CD1 4.49Å; V802-F813 HydrophobicContact CG1-CG 4.17Å; V802-F813 HydrophobicContact CG2-CB 4.37Å; V802-F813 HydrophobicContact CG2-CD1 3.6Å; V802-F813 HydrophobicContact CG2-CE1 4.19Å; V802-F813 HydrophobicContact CG2-CG 4.1Å; L807-F813 HydrophobicContact CB-CD2 3.82Å; L807-F813 HydrophobicContact CB-CE2 4.05Å; L807-F813 HydrophobicContact CB-CG 4.48Å; L807-F813 HydrophobicContact CD1-CD2 4.28Å; L807-F813 HydrophobicContact CD1-CE2 3.68Å; L807-F813 HydrophobicContact CD1-CZ 3.86Å; L807-F813 HydrophobicContact CD2-CE2 4.38Å; L807-F813 HydrophobicContact CG-CE2 4.24Å; S809-F813 WeakPolarHBondContact O-CB 3.28Å; S809-F813 PolarHBondContact O-N 2.71Å; S810-F813 PolarHBondContact O-N 2.84Å; V811-F813 PolarHBondContact O-N 2.93Å; F813-S815 VanDerWaalsContact C-N 3.29Å; F813-S815 PolarHBondContact O-N 3.21Å; F813-K816 VanDerWaalsContact O-CB 3.26Å; F813-K816 WeakPolarHBondContact O-CB 3.49Å; F813-K816 PolarHBondContact O-N 3.4Å
814L93.2Very high88.5Confident2 Ų238 Ų381%0.0123%0.233CC..Hα-helixtrans-70.9-24-178.6-64.8173000112.7M790 T798 V799 S810 V811 K816 A817 P821 V826M790-L814 HydrophobicContact CE-CD2 4.43Å; M790-L814 HydrophobicContact SD-CD2 4.35Å; T798-L814 HydrophobicContact CG2-CD2 3.99Å; V799-L814 HydrophobicContact CG2-CD1 4.18Å; S810-L814 WeakPolarHBondContact O-CB 3.13Å; S810-L814 WeakPolarHBondContact O-CG 3.37Å; S810-L814 PolarHBondContact O-N 2.98Å; V811-L814 PolarHBondContact O-N 3.03Å; L814-K816 PolarHBondContact O-N 3.3Å; L814-A817 VanDerWaalsContact O-CB 3.22Å; L814-A817 WeakPolarHBondContact O-CB 3.26Å; L814-A817 PolarHBondContact O-N 2.75Å; L814-P821 HydrophobicContact CB-CG 3.88Å; L814-P821 HydrophobicContact CD1-CG 4.35Å; L814-V826 HydrophobicContact CD1-CG1 4.04Å; L814-V826 HydrophobicContact CD1-CG2 3.83Å
815S92.7Very high88.4Confident73 Ų7338.7 Ų38.751%0.5124%0.24SC..THydrogen-bonded Turntrans-64.2-13.1168.470.90000113.7V811 N812 F813V811-S815 VanDerWaalsContact O-CB 3.25Å; V811-S815 WeakPolarHBondContact O-CB 3.13Å; V811-S815 PolarHBondContact O-N 3.17Å; V811-S815 PolarHBondContact O-OG 3.45Å; N812-S815 WeakPolarHBondContact CA-OG 3.28Å; N812-S815 PolarHBondContact O-OG 2.84Å; F813-S815 VanDerWaalsContact C-N 3.29Å; F813-S815 PolarHBondContact O-N 3.21Å
816K93.3Very high88.5Confident82 Ų8238.8 Ų38.836%0.35724%0.24SC..THydrogen-bonded Turntrans-90.1-1.3173-52171.9174.2-178.80113.7I493 R496 D497 Y522 N812 F813 L814I493-K816 HydrophobicContact CG2-CB 3.95Å; I493-K816 HydrophobicContact CG2-CD 4.07Å; R496-K816 PolarHBondContact NH1-O 3.49Å; D497-K816 IonicContact OD2-NZ 2.69Å; D497-K816 PolarHBondContact OD2-NZ 2.99Å; Y522-K816 VanDerWaalsContact CE2-O 3.28Å; Y522-K816 WeakPolarHBondContact CE2-O 3.46Å; Y522-K816 PolarHBondContact OH-O 2.81Å; N812-K816 WeakPolarHBondContact O-CG 3.36Å; F813-K816 VanDerWaalsContact O-CB 3.26Å; F813-K816 WeakPolarHBondContact O-CB 3.49Å; F813-K816 PolarHBondContact O-N 3.4Å; L814-K816 PolarHBondContact O-N 3.3Å
817A92.8Very high88.5Confident7 Ų739 Ų396%0.05824%0.236CC..SBendtrans-63.5155.3176.400000110.7I493 M790 L814 Q819 P820I493-A817 HydrophobicContact CD1-CB 3.87Å; I493-A817 HydrophobicContact CG1-CB 4.37Å; M790-A817 HydrophobicContact SD-CB 3.89Å; L814-A817 VanDerWaalsContact O-CB 3.22Å; L814-A817 WeakPolarHBondContact O-CB 3.26Å; L814-A817 PolarHBondContact O-N 2.75Å; A817-Q819 PolarHBondContact O-N 2.84Å; A817-P820 WeakPolarHBondContact O-CD 3.22Å
818M89.1Confident88.3Confident22 Ų2238.3 Ų38.311%0.10823%0.231CC..SBendtrans-63.5-29.2-178.3-166.7167.461.500112.3L518 F519 Y522L518-M818 HydrophobicContact CD1-CG 4.28Å; L518-M818 HydrophobicContact CD2-CE 3.77Å; L518-M818 HydrophobicContact CD2-CG 4.13Å; L518-M818 HydrophobicContact CD2-SD 3.88Å; L518-M818 HydrophobicContact CG-CE 4.33Å; L518-M818 HydrophobicContact CG-CG 3.9Å; L518-M818 HydrophobicContact CG-SD 3.75Å; F519-M818 HydrophobicContact CD1-CE 4.4Å; F519-M818 HydrophobicContact CD1-SD 4.17Å; F519-M818 HydrophobicContact CD2-CE 4.43Å; F519-M818 HydrophobicContact CD2-SD 4.34Å; F519-M818 HydrophobicContact CE1-CE 3.85Å; F519-M818 HydrophobicContact CE1-SD 4.21Å; F519-M818 HydrophobicContact CE2-CE 3.84Å; F519-M818 HydrophobicContact CE2-SD 4.33Å; F519-M818 HydrophobicContact CG-SD 4.27Å; F519-M818 HydrophobicContact CZ-CE 3.56Å; F519-M818 HydrophobicContact CZ-SD 4.31Å; Y522-M818 HydrophobicContact CD2-CB 3.68Å; Y522-M818 HydrophobicContact CD2-CG 3.72Å; Y522-M818 HydrophobicContact CD2-SD 4.42Å; Y522-M818 VanDerWaalsContact CE2-CA 3.45Å; Y522-M818 HydrophobicContact CE2-CB 3.7Å; Y522-M818 HydrophobicContact CE2-CG 4.28Å; Y522-M818 HydrophobicContact CG-CB 4.24Å; Y522-M818 HydrophobicContact CG-CG 4.02Å; Y522-M818 HydrophobicContact CG-SD 4.12Å
819Q89.1Confident88.3Confident76 Ų7636.5 Ų36.536%0.35521%0.212SC..SBendtrans-137.3102162.8-69.6173.1-78.300107.8R484 P788 A817R484-Q819 VanDerWaalsContact NH2-OE1 3.07Å; P788-Q819 VanDerWaalsContact CG-OE1 3.31Å; A817-Q819 PolarHBondContact O-N 2.84Å
820P90.7Very high88.3Confident67 Ų6735.2 Ų35.244%0.43520%0.2SC..PPolyproline II helixtrans-60.3145.4-174.5-29.538.1000114.8L791 A817L791-P820 VanDerWaalsContact CD2-O 3.26Å; L791-P820 WeakPolarHBondContact CD2-O 3.14Å; A817-P820 WeakPolarHBondContact O-CD 3.22Å
821P88.9Confident88Confident15 Ų1537 Ų3710%0.09721%0.209CC..PPolyproline II helixtrans-68.2156.6172.827.6-32.8000112.4M790 L795 L814 L823 V826M790-P821 HydrophobicContact CG-CB 4.1Å; M790-P821 HydrophobicContact CG-CG 4.21Å; M790-P821 HydrophobicContact SD-CG 4.37Å; L795-P821 HydrophobicContact CD1-CB 3.54Å; L795-P821 HydrophobicContact CD1-CG 3.86Å; L814-P821 HydrophobicContact CB-CG 3.88Å; L814-P821 HydrophobicContact CD1-CG 4.35Å; P821-L823 PolarHBondContact O-N 3.16Å; P821-V826 HydrophobicContact CB-CG2 4.27Å; P821-V826 HydrophobicContact CG-CG2 3.72Å
822P81.4Confident87.7Confident36 Ų3636.8 Ų36.823%0.23421%0.208CC..PPolyproline II helixtrans-53.4136.1167.3-27.437.4000112.7D824 S825 V826P822-D824 VanDerWaalsContact C-N 3.32Å; P822-D824 WeakPolarHBondContact CB-OD1 3.26Å; P822-D824 PolarHBondContact O-N 2.94Å; P822-S825 WeakPolarHBondContact O-CB 3.3Å; P822-S825 PolarHBondContact O-N 3.05Å; P822-V826 PolarHBondContact O-N 3.17Å
823L83.8Confident87.7Confident49 Ų4931.9 Ų31.926%0.25718%0.182SC..Hα-helixtrans-63.2-37.4-175.4-178.263.7000112.5L221 V811 P821 S825 V826 C827L221-L823 HydrophobicContact CD2-CD2 3.91Å; L221-L823 HydrophobicContact CG-CD2 4.36Å; V811-L823 HydrophobicContact CB-CD1 4.45Å; V811-L823 HydrophobicContact CG1-CD1 3.63Å; V811-L823 HydrophobicContact CG2-CD1 3.93Å; P821-L823 PolarHBondContact O-N 3.16Å; L823-S825 VanDerWaalsContact C-N 3.26Å; L823-S825 PolarHBondContact O-N 3.44Å; L823-V826 PolarHBondContact O-N 3.31Å; L823-V826 VanDerWaalsContact O-N 3.16Å; L823-C827 PolarHBondContact O-N 3.21Å; L823-C827 PolarHBondContact O-SG 2.84Å; L823-C827 VanDerWaalsContact O-SG 3.39Å
824D77.5Confident87.6Confident18 Ų1835.9 Ų35.910%0.09620%0.197CC..Hα-helixtrans-54.5-42.7175.4575.2000112S213 H216 Q217 P822 V826 C827 E828S213-D824 PolarHBondContact OG-OD2 3.08Å; H216-D824 HydrophobicContact CB-CB 4.43Å; Q217-D824 HydrophobicContact CG-CB 4.38Å; P822-D824 VanDerWaalsContact C-N 3.32Å; P822-D824 WeakPolarHBondContact CB-OD1 3.26Å; P822-D824 PolarHBondContact O-N 2.94Å; D824-V826 VanDerWaalsContact C-N 3.34Å; D824-V826 PolarHBondContact O-N 3.49Å; D824-C827 PolarHBondContact O-N 3.13Å; D824-E828 WeakPolarHBondContact O-CB 3.12Å; D824-E828 PolarHBondContact O-N 3.35Å
825S82.8Confident87.1Confident32 Ų3239.9 Ų39.922%0.22422%0.218CC..Hα-helixtrans-71.4-25.6-178.6-55.30000113.1P822 L823 A829P822-S825 WeakPolarHBondContact O-CB 3.3Å; P822-S825 PolarHBondContact O-N 3.05Å; L823-S825 VanDerWaalsContact C-N 3.26Å; L823-S825 PolarHBondContact O-N 3.44Å; S825-A829 WeakPolarHBondContact O-CB 3.25Å; S825-A829 PolarHBondContact O-N 3.33Å
826V88.5Confident86.7Confident4 Ų437.1 Ų37.12%0.02420%0.197CC..Hα-helixtrans-81.1-41.8172.8-177.40000110.9L795 V799 V811 L814 P821 P822 L823 D824 A829 E830L795-V826 HydrophobicContact CD1-CG2 3.81Å; V799-V826 HydrophobicContact CG2-CG1 4.38Å; V811-V826 HydrophobicContact CG2-CG1 3.9Å; L814-V826 HydrophobicContact CD1-CG1 4.04Å; L814-V826 HydrophobicContact CD1-CG2 3.83Å; P821-V826 HydrophobicContact CB-CG2 4.27Å; P821-V826 HydrophobicContact CG-CG2 3.72Å; P822-V826 PolarHBondContact O-N 3.17Å; L823-V826 PolarHBondContact O-N 3.31Å; L823-V826 VanDerWaalsContact O-N 3.16Å; D824-V826 VanDerWaalsContact C-N 3.34Å; D824-V826 PolarHBondContact O-N 3.49Å; V826-A829 PolarHBondContact O-N 3.28Å; V826-E830 PolarHBondContact O-N 2.94Å
827C86.1Confident86.3Confident45 Ų4534.5 Ų34.530%0.30419%0.194SC..Hα-helixtrans-65.9-41.7177.2-68.50000112.1L823 D824 A829 E830 M831L823-C827 PolarHBondContact O-N 3.21Å; L823-C827 PolarHBondContact O-SG 2.84Å; L823-C827 VanDerWaalsContact O-SG 3.39Å; D824-C827 PolarHBondContact O-N 3.13Å; C827-A829 VanDerWaalsContact C-N 3.33Å; C827-A829 PolarHBondContact O-N 2.77Å; C827-E830 PolarHBondContact O-N 3.09Å; C827-M831 WeakPolarHBondContact O-CB 3.3Å; C827-M831 PolarHBondContact O-N 3.49Å
828E81.9Confident86.1Confident30 Ų3034.2 Ų34.214%0.1419%0.191CC..Hα-helixtrans-59.3-43.8171.9-177.9-176.4-138.500111.2Q137 S738 D824 M831 V832Q137-E828 PolarHBondContact NE2-OE1 3.35Å; S738-E828 VanDerWaalsContact CB-CD 3.49Å; S738-E828 WeakPolarHBondContact CB-OE1 3.31Å; S738-E828 WeakPolarHBondContact CB-OE2 3.34Å; D824-E828 WeakPolarHBondContact O-CB 3.12Å; D824-E828 PolarHBondContact O-N 3.35Å; E828-M831 WeakPolarHBondContact O-CB 3.46Å; E828-M831 PolarHBondContact O-N 3.16Å; E828-V832 WeakPolarHBondContact O-CG2 3.44Å; E828-V832 PolarHBondContact O-N 3.34Å
829A87.8Confident86.1Confident4 Ų433.4 Ų33.43%0.03319%0.188CC..Hα-helixtrans-63.3-42.1177.900000112.9L795 H796 V799 S825 V826 C827 L833L795-A829 HydrophobicContact CB-CB 4.04Å; H796-A829 HydrophobicContact CB-CB 4.34Å; V799-A829 HydrophobicContact CB-CB 4.37Å; V799-A829 HydrophobicContact CG2-CB 3.8Å; S825-A829 WeakPolarHBondContact O-CB 3.25Å; S825-A829 PolarHBondContact O-N 3.33Å; V826-A829 PolarHBondContact O-N 3.28Å; C827-A829 VanDerWaalsContact C-N 3.33Å; C827-A829 PolarHBondContact O-N 2.77Å; A829-L833 VanDerWaalsContact O-CG 3.25Å; A829-L833 WeakPolarHBondContact O-CG 3.19Å; A829-L833 PolarHBondContact O-N 3.34Å
830E89.9Confident86Confident22 Ų2230.1 Ų30.110%0.10317%0.173CC..Hα-helixtrans-66.2-37.2171.4-80.5-156174.100112.6V799 K803 S810 V826 C827 L833 R834 L839 S843V799-E830 HydrophobicContact CG1-CG 3.65Å; K803-E830 WeakPolarHBondContact CE-OE1 3.36Å; K803-E830 IonicContact NZ-OE1 3.42Å; S810-E830 VanDerWaalsContact CB-OE1 3.27Å; S810-E830 WeakPolarHBondContact CB-OE1 3.43Å; S810-E830 PolarHBondContact OG-OE1 3.12Å; V826-E830 PolarHBondContact O-N 2.94Å; C827-E830 PolarHBondContact O-N 3.09Å; E830-L833 PolarHBondContact O-N 3.19Å; E830-R834 PolarHBondContact O-N 2.88Å; E830-R834 IonicContact OE2-NH2 3.65Å; E830-L839 HydrophobicContact CG-CD1 4.39Å; E830-S843 WeakPolarHBondContact OE2-CB 3.44Å; E830-S843 PolarHBondContact OE2-OG 3.13Å
831M85.8Confident85.7Confident37 Ų3733 Ų3318%0.18218%0.178CC..Hα-helixtrans-63.1-49.8178.5-172.4175.976.400111.5D139 C827 E828 L833 R834 D835D139-M831 HydrophobicContact CB-SD 4.08Å; C827-M831 WeakPolarHBondContact O-CB 3.3Å; C827-M831 PolarHBondContact O-N 3.49Å; E828-M831 WeakPolarHBondContact O-CB 3.46Å; E828-M831 PolarHBondContact O-N 3.16Å; M831-L833 PolarHBondContact O-N 3.08Å; M831-R834 CarbonylContact O-C 3.48Å; M831-R834 WeakPolarHBondContact O-CA 3.3Å; M831-R834 PolarHBondContact O-N 3.33Å; M831-D835 PolarHBondContact O-N 3.32Å
832V84.5Confident85.5Confident45 Ų4538.5 Ų38.527%0.27321%0.207SC..Hα-helixtrans-58.9-36.8176.6171.50000111.8E828 I836 V860E828-V832 WeakPolarHBondContact O-CG2 3.44Å; E828-V832 PolarHBondContact O-N 3.34Å; V832-I836 WeakPolarHBondContact O-CG1 3.42Å; V832-I836 PolarHBondContact O-N 3.04Å; V832-V860 HydrophobicContact CG1-CG2 4.4Å
833L90Very high85.8Confident0 Ų037.4 Ų37.40%020%0.2CC..Hα-helixtrans-72.3-29.8176.2-68.5172.9000113.2H796 V799 L800 A829 E830 M831 I836 G837 A838 L839 P859H796-L833 HydrophobicContact CB-CD2 4.41Å; H796-L833 HydrophobicContact CB-CG 4.33Å; V799-L833 HydrophobicContact CB-CD1 3.99Å; V799-L833 HydrophobicContact CG1-CD1 3.57Å; L800-L833 HydrophobicContact CB-CD1 3.94Å; L800-L833 HydrophobicContact CB-CD2 4.22Å; L800-L833 HydrophobicContact CD1-CD2 4.28Å; L800-L833 HydrophobicContact CD2-CD2 4.2Å; L800-L833 HydrophobicContact CG-CD2 4.47Å; A829-L833 VanDerWaalsContact O-CG 3.25Å; A829-L833 WeakPolarHBondContact O-CG 3.19Å; A829-L833 PolarHBondContact O-N 3.34Å; E830-L833 PolarHBondContact O-N 3.19Å; M831-L833 PolarHBondContact O-N 3.08Å; L833-I836 HydrophobicContact CD2-CD1 4.11Å; L833-G837 PolarHBondContact O-N 2.89Å; L833-A838 HydrophobicContact CB-CB 4.34Å; L833-A838 HydrophobicContact CD2-CB 4.1Å; L833-A838 WeakPolarHBondContact O-CA 3.34Å; L833-A838 WeakPolarHBondContact O-CB 3.38Å; L833-A838 PolarHBondContact O-N 2.92Å; L833-L839 HydrophobicContact CB-CD1 3.71Å; L833-L839 HydrophobicContact CB-CG 3.86Å; L833-L839 HydrophobicContact CD1-CD1 4.11Å; L833-L839 PolarHBondContact O-N 2.83Å; L833-L839 VanDerWaalsContact O-N 3.11Å; L833-P859 HydrophobicContact CD2-CB 4.11Å; L833-P859 HydrophobicContact CD2-CG 4.21Å
834R89.3Confident85.9Confident88 Ų8839.8 Ų39.833%0.33221%0.21SC..Hα-helixtrans-71.5-46.1169.4-78.5-173.9-102.7103.6-1.5111.5E830 M831 I836 G837 L839 T840 S843E830-R834 PolarHBondContact O-N 2.88Å; E830-R834 IonicContact OE2-NH2 3.65Å; M831-R834 CarbonylContact O-C 3.48Å; M831-R834 WeakPolarHBondContact O-CA 3.3Å; M831-R834 PolarHBondContact O-N 3.33Å; R834-I836 VanDerWaalsContact C-N 3.29Å; R834-I836 PolarHBondContact O-N 2.79Å; R834-G837 WeakPolarHBondContact O-CA 3.44Å; R834-G837 PolarHBondContact O-N 3.34Å; R834-L839 HydrophobicContact CG-CB 3.82Å; R834-T840 WeakPolarHBondContact CD-O 3.45Å; R834-T840 WeakPolarHBondContact CG-O 3.41Å; R834-S843 PolarHBondContact NE-OG 2.82Å; R834-S843 VanDerWaalsContact NE-OG 3.16Å
835D83.2Confident86.4Confident86 Ų8639.9 Ų39.946%0.4621%0.21SC..Hα-helixtrans-53.6-41.7176.6-79.918.8000112.6M831 G837 K1091M831-D835 PolarHBondContact O-N 3.32Å; D835-G837 VanDerWaalsContact C-N 3.32Å; D835-K1091 IonicContact OD2-NZ 3.67Å; D835-K1091 PolarHBondContact OD2-NZ 3.23Å
836I84.6Confident86.5Confident14 Ų1438.4 Ų38.47%0.07220%0.2CC..THydrogen-bonded Turntrans-79.7-11.4176.769.2179.9000113.5V832 L833 R834 A838 L852 P859 V860 K863V832-I836 WeakPolarHBondContact O-CG1 3.42Å; V832-I836 PolarHBondContact O-N 3.04Å; L833-I836 HydrophobicContact CD2-CD1 4.11Å; R834-I836 VanDerWaalsContact C-N 3.29Å; R834-I836 PolarHBondContact O-N 2.79Å; I836-A838 HydrophobicContact CD1-CB 3.96Å; I836-A838 HydrophobicContact CG1-CB 3.81Å; I836-L852 HydrophobicContact CD1-CD1 3.89Å; I836-P859 HydrophobicContact CD1-CB 3.6Å; I836-V860 HydrophobicContact CG2-CB 4.49Å; I836-V860 HydrophobicContact CG2-CG1 4.27Å; I836-V860 HydrophobicContact CG2-CG2 4.09Å; I836-K863 HydrophobicContact CB-CD 3.96Å; I836-K863 VanDerWaalsContact O-CD 3.27Å; I836-K863 WeakPolarHBondContact O-CD 3.38Å; I836-K863 WeakPolarHBondContact O-CE 3.27Å; I836-K863 PolarHBondContact O-NZ 2.9Å
837G84.8Confident86.2Confident28 Ų2838.8 Ų38.829%0.28920%0.204SC..THydrogen-bonded Turntrans79.121-17600000114.3L833 R834 D835 L839 T846L833-G837 PolarHBondContact O-N 2.89Å; R834-G837 WeakPolarHBondContact O-CA 3.44Å; R834-G837 PolarHBondContact O-N 3.34Å; D835-G837 VanDerWaalsContact C-N 3.32Å; G837-L839 VanDerWaalsContact C-N 3.34Å; G837-T846 WeakPolarHBondContact O-CG2 3.16Å; G837-T846 PolarHBondContact O-OG1 2.68Å
838A88.3Confident86.1Confident0 Ų037 Ų370%019%0.191CC..SBendtrans-75.1-27.9170.800000111.8L800 L833 I836 T846 G849 L852L800-A838 HydrophobicContact CD1-CB 4.3Å; L833-A838 HydrophobicContact CB-CB 4.34Å; L833-A838 HydrophobicContact CD2-CB 4.1Å; L833-A838 WeakPolarHBondContact O-CA 3.34Å; L833-A838 WeakPolarHBondContact O-CB 3.38Å; L833-A838 PolarHBondContact O-N 2.92Å; I836-A838 HydrophobicContact CD1-CB 3.96Å; I836-A838 HydrophobicContact CG1-CB 3.81Å; A838-T846 PolarHBondContact O-N 3.26Å; A838-T846 PolarHBondContact O-OG1 2.83Å; A838-G849 WeakPolarHBondContact O-CA 3.47Å; A838-L852 HydrophobicContact CB-CD1 3.95Å
839L89.5Confident86.4Confident6 Ų635.5 Ų35.53%0.03118%0.184CC..BIsolated β-bridgetrans-118.4151.2173-60.5178.4000111.7K803 E830 L833 R834 G837 Q844 L845K803-L839 HydrophobicContact CB-CD2 4.13Å; K803-L839 HydrophobicContact CD-CD2 4.4Å; K803-L839 HydrophobicContact CG-CD2 3.87Å; E830-L839 HydrophobicContact CG-CD1 4.39Å; L833-L839 HydrophobicContact CB-CD1 3.71Å; L833-L839 HydrophobicContact CB-CG 3.86Å; L833-L839 HydrophobicContact CD1-CD1 4.11Å; L833-L839 PolarHBondContact O-N 2.83Å; L833-L839 VanDerWaalsContact O-N 3.11Å; R834-L839 HydrophobicContact CG-CB 3.82Å; G837-L839 VanDerWaalsContact C-N 3.34Å; L839-Q844 CarbonylContact C-O 3.52Å; L839-Q844 WeakPolarHBondContact CA-O 3.46Å; L839-L845 HydrophobicContact CD2-CD1 4.16Å
840T86.6Confident86.3Confident7 Ų738.6 Ų38.64%0.04320%0.195CC..  trans-73.4171.8166.568.40000111.1P288 R834 D842 S843 Q844 T846P288-T840 HydrophobicContact CB-CG2 4.35Å; R834-T840 WeakPolarHBondContact CD-O 3.45Å; R834-T840 WeakPolarHBondContact CG-O 3.41Å; T840-D842 PolarHBondContact O-N 2.83Å; T840-D842 PolarHBondContact OG1-N 3.44Å; T840-S843 WeakPolarHBondContact O-CA 3.39Å; T840-S843 PolarHBondContact O-N 3.02Å; T840-Q844 HydrophobicContact CG2-CB 4.32Å; T840-Q844 PolarHBondContact N-O 2.96Å; T840-Q844 WeakPolarHBondContact OG1-CB 3.47Å; T840-Q844 PolarHBondContact OG1-N 2.82Å; T840-Q844 VanDerWaalsContact OG1-N 3.13Å; T840-T846 HydrophobicContact CG2-CG2 3.94Å
841K84.6Confident86Confident127 Ų12737.9 Ų37.955%0.55219%0.192SC*.THydrogen-bonded Turntrans-54.1-39172.6-67.3169.5-177165.80111.9D284 S843D284-K841 VanDerWaalsContact OD1-CE 3.29Å; D284-K841 WeakPolarHBondContact OD1-CE 3.3Å; D284-K841 IonicContact OD1-NZ 2.71Å; D284-K841 PolarHBondContact OD1-NZ 3.09Å; D284-K841 IonicContact OD2-NZ 2.95Å; D284-K841 PolarHBondContact OD2-NZ 3.38Å; K841-S843 PolarHBondContact O-N 3.26Å; K841-S843 VanDerWaalsContact O-N 3.14Å
842D85Confident86.1Confident130 Ų13036.3 Ų36.370%0.69518%0.184SC*.THydrogen-bonded Turntrans-78.917.9175.9-40.5-80.8000114.4T840 Q844T840-D842 PolarHBondContact O-N 2.83Å; T840-D842 PolarHBondContact OG1-N 3.44Å; D842-Q844 VanDerWaalsContact C-N 3.26Å; D842-Q844 HydrophobicContact CB-CG 4.25Å; D842-Q844 PolarHBondContact O-N 3.45Å; D842-Q844 PolarHBondContact O-NE2 3.36Å
843S86.6Confident86.1Confident13 Ų1335.1 Ų35.19%0.09118%0.179CC..SBendtrans49.539.6-175.8-72.20000114.1K803 E830 R834 T840 K841K803-S843 WeakPolarHBondContact CD-O 3.5Å; K803-S843 WeakPolarHBondContact CE-O 3.32Å; K803-S843 PolarHBondContact NZ-O 3.25Å; E830-S843 WeakPolarHBondContact OE2-CB 3.44Å; E830-S843 PolarHBondContact OE2-OG 3.13Å; R834-S843 PolarHBondContact NE-OG 2.82Å; R834-S843 VanDerWaalsContact NE-OG 3.16Å; T840-S843 WeakPolarHBondContact O-CA 3.39Å; T840-S843 PolarHBondContact O-N 3.02Å; K841-S843 PolarHBondContact O-N 3.26Å; K841-S843 VanDerWaalsContact O-N 3.14Å
844Q86.8Confident85.7Confident99 Ų9936.6 Ų36.646%0.46319%0.186SC..PPolyproline II helixtrans-97.2153.3171.6-54.7-53-5000111.5P288 L839 T840 D842P288-Q844 HydrophobicContact CB-CB 4.05Å; L839-Q844 CarbonylContact C-O 3.52Å; L839-Q844 WeakPolarHBondContact CA-O 3.46Å; T840-Q844 HydrophobicContact CG2-CB 4.32Å; T840-Q844 PolarHBondContact N-O 2.96Å; T840-Q844 WeakPolarHBondContact OG1-CB 3.47Å; T840-Q844 PolarHBondContact OG1-N 2.82Å; T840-Q844 VanDerWaalsContact OG1-N 3.13Å; D842-Q844 VanDerWaalsContact C-N 3.26Å; D842-Q844 HydrophobicContact CB-CG 4.25Å; D842-Q844 PolarHBondContact O-N 3.45Å; D842-Q844 PolarHBondContact O-NE2 3.36Å
845L87.5Confident85.3Confident20 Ų2032.7 Ų32.711%0.10517%0.172CC..BIsolated β-bridgetrans-72.9130.4-177.3-164.370.3000112.1V289 L800 K803 L804 L839 R850V289-L845 PolarHBondContact N-O 2.92Å; L800-L845 HydrophobicContact CD1-CD1 3.62Å; K803-L845 HydrophobicContact CB-CB 4.39Å; K803-L845 HydrophobicContact CB-CD1 4.03Å; L804-L845 HydrophobicContact CB-CD2 4.49Å; L804-L845 HydrophobicContact CD1-CD2 4.18Å; L839-L845 HydrophobicContact CD2-CD1 4.16Å; L845-R850 HydrophobicContact CD2-CB 4.17Å; L845-R850 HydrophobicContact CD2-CG 4.21Å
846T86.1Confident85Confident1 Ų129.3 Ų29.31%0.00616%0.155CC..PPolyproline II helixtrans-89.7164.6171.574.50000111.2G837 A838 T840 L848 G849 R850G837-T846 WeakPolarHBondContact O-CG2 3.16Å; G837-T846 PolarHBondContact O-OG1 2.68Å; A838-T846 PolarHBondContact O-N 3.26Å; A838-T846 PolarHBondContact O-OG1 2.83Å; T840-T846 HydrophobicContact CG2-CG2 3.94Å; T846-L848 PolarHBondContact O-N 2.75Å; T846-L848 PolarHBondContact OG1-N 3.05Å; T846-G849 WeakPolarHBondContact O-CA 3.45Å; T846-G849 PolarHBondContact O-N 3.01Å; T846-G849 PolarHBondContact OG1-N 3.36Å; T846-G849 VanDerWaalsContact OG1-N 3.07Å; T846-R850 PolarHBondContact O-N 3.03Å
847A80.7Confident84.9Confident13 Ų1329.3 Ų29.311%0.10715%0.154CC..Hα-helixtrans-56.2-36.1171.800000112.4V289 R850 I851 K1133V289-A847 HydrophobicContact CG2-CB 4.47Å; A847-R850 WeakPolarHBondContact O-CB 3.47Å; A847-R850 PolarHBondContact O-N 3.33Å; A847-I851 WeakPolarHBondContact O-CG1 3.47Å; A847-I851 PolarHBondContact O-N 2.86Å; A847-K1133 HydrophobicContact CB-CB 4.04Å; A847-K1133 HydrophobicContact CB-CG 4.18Å
848L85.3Confident84.7Confident6 Ų631.1 Ų31.13%0.03116%0.158CC..Hα-helixtrans-62.3-50.2171176.263.9000110.5T846 R850 I851 L852 K863 V866 V1129T846-L848 PolarHBondContact O-N 2.75Å; T846-L848 PolarHBondContact OG1-N 3.05Å; L848-R850 PolarHBondContact O-N 3.45Å; L848-I851 WeakPolarHBondContact O-CB 3.48Å; L848-I851 PolarHBondContact O-N 2.75Å; L848-L852 HydrophobicContact CD1-CD1 4.17Å; L848-L852 HydrophobicContact CD1-CD2 4.25Å; L848-L852 HydrophobicContact CD1-CG 4.08Å; L848-L852 HydrophobicContact CD2-CD1 4.38Å; L848-L852 HydrophobicContact CG-CD1 3.86Å; L848-L852 HydrophobicContact CG-CG 4.17Å; L848-L852 WeakPolarHBondContact O-CG 3.49Å; L848-L852 PolarHBondContact O-N 3.07Å; L848-K863 HydrophobicContact CD2-CD 4.31Å; L848-K863 HydrophobicContact CD2-CG 4.25Å; L848-V866 HydrophobicContact CD1-CB 4.4Å; L848-V866 HydrophobicContact CD1-CG1 4.31Å; L848-V866 HydrophobicContact CD1-CG2 4.23Å; L848-V1129 HydrophobicContact CD1-CG1 4.33Å; L848-V1129 HydrophobicContact CD2-CG1 3.9Å
849G88.1Confident84.6Confident0 Ų031.3 Ų31.30%016%0.159CC..Hα-helixtrans-54.1-38.8176.800000113.4A838 T846 I851 L852 A853A838-G849 WeakPolarHBondContact O-CA 3.47Å; T846-G849 WeakPolarHBondContact O-CA 3.45Å; T846-G849 PolarHBondContact O-N 3.01Å; T846-G849 PolarHBondContact OG1-N 3.36Å; T846-G849 VanDerWaalsContact OG1-N 3.07Å; G849-I851 PolarHBondContact O-N 3.27Å; G849-L852 PolarHBondContact O-N 3.34Å; G849-A853 WeakPolarHBondContact O-CB 3.31Å; G849-A853 PolarHBondContact O-N 3.11Å
850R85.1Confident84.4Confident68 Ų6832.7 Ų32.726%0.25717%0.167SC..Hα-helixtrans-60.7-40.6176.5-148.9-176.6-150.3-61.6-3.9112.7D291 E467 L804 L845 T846 A847 L848 H854D291-R850 IonicContact OD2-CZ 3.25Å; D291-R850 IonicContact OD2-NE 3.81Å; D291-R850 IonicContact OD2-NH2 2.74Å; D291-R850 PolarHBondContact OD2-NH2 2.82Å; E467-R850 IonicContact OE1-CZ 2.92Å; E467-R850 IonicContact OE1-NH1 2.95Å; E467-R850 PolarHBondContact OE1-NH1 2.68Å; E467-R850 IonicContact OE1-NH2 3.82Å; L804-R850 HydrophobicContact CD1-CG 4.1Å; L845-R850 HydrophobicContact CD2-CB 4.17Å; L845-R850 HydrophobicContact CD2-CG 4.21Å; T846-R850 PolarHBondContact O-N 3.03Å; A847-R850 WeakPolarHBondContact O-CB 3.47Å; A847-R850 PolarHBondContact O-N 3.33Å; L848-R850 PolarHBondContact O-N 3.45Å; R850-H854 PolarHBondContact O-ND1 3.35Å
851I83.9Confident84.5Confident7 Ų733 Ų334%0.03617%0.168CC..Hα-helixtrans-66.9-50.5172.8-57.4162.9000110A847 L848 G849 A853 H854 L855 V866 F975 F977 L1136A847-I851 WeakPolarHBondContact O-CG1 3.47Å; A847-I851 PolarHBondContact O-N 2.86Å; L848-I851 WeakPolarHBondContact O-CB 3.48Å; L848-I851 PolarHBondContact O-N 2.75Å; G849-I851 PolarHBondContact O-N 3.27Å; I851-A853 VanDerWaalsContact C-N 3.27Å; I851-A853 PolarHBondContact O-N 2.7Å; I851-H854 WeakPolarHBondContact O-CB 3.4Å; I851-H854 PolarHBondContact O-N 2.73Å; I851-L855 HydrophobicContact CG2-CD1 3.89Å; I851-L855 HydrophobicContact CG2-CG 4.14Å; I851-L855 PolarHBondContact O-N 2.97Å; I851-L855 VanDerWaalsContact O-N 3.11Å; I851-V866 HydrophobicContact CD1-CG2 4.39Å; I851-V866 HydrophobicContact CG2-CG2 4.1Å; I851-F975 HydrophobicContact CB-CD2 4.47Å; I851-F975 HydrophobicContact CB-CE2 4.41Å; I851-F975 HydrophobicContact CG1-CD1 4.14Å; I851-F975 HydrophobicContact CG1-CD2 4.4Å; I851-F975 HydrophobicContact CG1-CE1 4.38Å; I851-F975 HydrophobicContact CG1-CG 4.16Å; I851-F975 HydrophobicContact CG2-CD2 3.91Å; I851-F975 HydrophobicContact CG2-CE2 4.08Å; I851-F975 HydrophobicContact CG2-CG 4.44Å; I851-F977 HydrophobicContact CD1-CE2 4.28Å; I851-L1136 HydrophobicContact CD1-CD1 3.72Å; I851-L1136 HydrophobicContact CG1-CD1 4.24Å
852L88Confident84.8Confident4 Ų427 Ų272%0.02114%0.142CC..Hα-helixtrans-60.8-36.4-175.4-62.5-179.4000112.2L800 I836 A838 L848 G849 H854 L855 P859L800-L852 HydrophobicContact CD2-CB 3.87Å; I836-L852 HydrophobicContact CD1-CD1 3.89Å; A838-L852 HydrophobicContact CB-CD1 3.95Å; L848-L852 HydrophobicContact CD1-CD1 4.17Å; L848-L852 HydrophobicContact CD1-CD2 4.25Å; L848-L852 HydrophobicContact CD1-CG 4.08Å; L848-L852 HydrophobicContact CD2-CD1 4.38Å; L848-L852 HydrophobicContact CG-CD1 3.86Å; L848-L852 HydrophobicContact CG-CG 4.17Å; L848-L852 WeakPolarHBondContact O-CG 3.49Å; L848-L852 PolarHBondContact O-N 3.07Å; G849-L852 PolarHBondContact O-N 3.34Å; L852-H854 PolarHBondContact O-N 2.88Å; L852-L855 PolarHBondContact O-N 3.06Å; L852-P859 HydrophobicContact CB-CB 4.46Å; L852-P859 HydrophobicContact CD1-CB 4.25Å
853A84.4Confident85Confident21 Ų2123 Ų2317%0.17412%0.119CC..Hα-helixtrans-64.8-24.4176.100000113.6L800 L804 G849 I851L800-A853 HydrophobicContact CD1-CB 4.49Å; L800-A853 HydrophobicContact CD2-CB 4.13Å; L800-A853 HydrophobicContact CG-CB 3.84Å; L804-A853 HydrophobicContact CB-CB 3.99Å; L804-A853 HydrophobicContact CD1-CB 4.11Å; L804-A853 HydrophobicContact CD2-CB 3.77Å; L804-A853 HydrophobicContact CG-CB 4.17Å; G849-A853 WeakPolarHBondContact O-CB 3.31Å; G849-A853 PolarHBondContact O-N 3.11Å; I851-A853 VanDerWaalsContact C-N 3.27Å; I851-A853 PolarHBondContact O-N 2.7Å
854H81Confident85.1Confident30 Ų3022.5 Ų22.514%0.13912%0.115CC..Hα-helixtrans-92.9-27.2-179.8-85.482.4000114R464 E467 R850 I851 L852 F975R464-H854 PolarHBondContact NH2-O 3.33Å; E467-H854 IonicContact OE1-CE1 3.89Å; E467-H854 IonicContact OE2-CE1 3.59Å; E467-H854 PolarHBondContact OE2-CE1 3.38Å; E467-H854 IonicContact OE2-NE2 2.7Å; E467-H854 PolarHBondContact OE2-NE2 3.02Å; R850-H854 PolarHBondContact O-ND1 3.35Å; I851-H854 WeakPolarHBondContact O-CB 3.4Å; I851-H854 PolarHBondContact O-N 2.73Å; L852-H854 PolarHBondContact O-N 2.88Å; H854-F975 HydrophobicContact CB-CE2 3.59Å; H854-F975 HydrophobicContact CB-CZ 3.54Å; H854-F975 AromaticContact CD2-CZ 3.99Å; H854-F975 AromaticContact CG-CZ 3.54Å; H854-F975 AromaticContact ND1-CZ 3.78Å
855L80.8Confident85.3Confident7 Ų717.8 Ų17.84%0.0379%0.093CC..SBendtrans-74.3127.5176.1-66.1177.3000109I851 L852 I857 L968 L971 L972I851-L855 HydrophobicContact CG2-CD1 3.89Å; I851-L855 HydrophobicContact CG2-CG 4.14Å; I851-L855 PolarHBondContact O-N 2.97Å; I851-L855 VanDerWaalsContact O-N 3.11Å; L852-L855 PolarHBondContact O-N 3.06Å; L855-I857 HydrophobicContact CB-CD1 4.31Å; L855-I857 HydrophobicContact CB-CG1 3.89Å; L855-I857 HydrophobicContact CD1-CD1 4.48Å; L855-I857 PolarHBondContact O-N 3.25Å; L855-L968 HydrophobicContact CD2-CD2 4.4Å; L855-L971 HydrophobicContact CD2-CB 4.04Å; L855-L971 HydrophobicContact CD2-CD1 4.36Å; L855-L972 HydrophobicContact CD2-CD2 4.44Å
856P78.2Confident85.2Confident15 Ų1517 Ų1710%0.0979%0.089CC..SBendtrans-8143.9-17334.6-38.2000112.8R440 F441 L968R440-P856 HydrophobicContact CG-CB 4.34Å; R440-P856 PolarHBondContact NH1-O 3.04Å; R440-P856 PolarHBondContact NH2-O 2.82Å; F441-P856 HydrophobicContact CE1-CG 3.79Å; F441-P856 HydrophobicContact CZ-CG 3.95Å; P856-L968 HydrophobicContact CG-CD2 4.33Å
857I81.1Confident85.1Confident13 Ų1317.3 Ų17.37%0.0679%0.091CC..SBendtrans-140.9167-172.255.6175.4000110.4L855 I865 L968L855-I857 HydrophobicContact CB-CD1 4.31Å; L855-I857 HydrophobicContact CB-CG1 3.89Å; L855-I857 HydrophobicContact CD1-CD1 4.48Å; L855-I857 PolarHBondContact O-N 3.25Å; I857-I865 HydrophobicContact CD1-CD1 3.28Å; I857-I865 HydrophobicContact CD1-CG1 4.19Å; I857-L968 HydrophobicContact CG2-CD2 4.4Å
858D80.8Confident85.3Confident67 Ų6716.7 Ų16.736%0.3589%0.086SC..  trans-50.4130.4172.6-178.2-72.6000111.5H796 V860 F861 G862H796-D858 IonicContact CE1-OD2 2.81Å; H796-D858 IonicContact NE2-OD2 3.22Å; D858-V860 VanDerWaalsContact C-N 3.3Å; D858-V860 PolarHBondContact O-N 2.97Å; D858-V860 WeakPolarHBondContact OD1-CA 3.38Å; D858-V860 VanDerWaalsContact OD1-CB 3.23Å; D858-V860 WeakPolarHBondContact OD1-CB 3.15Å; D858-V860 WeakPolarHBondContact OD1-CG2 3.38Å; D858-V860 PolarHBondContact OD1-N 3.43Å; D858-F861 HydrophobicContact CB-CB 4.31Å; D858-F861 PolarHBondContact O-N 3Å; D858-F861 PolarHBondContact OD1-N 3.47Å; D858-G862 PolarHBondContact O-N 3.34Å
859P86.8Confident85.2Confident4 Ų416.4 Ų16.43%0.0268%0.084CC..Hα-helixtrans-59.2-32.2-177.6-27.736.3000115L800 L833 I836 L852 G862 K863L800-P859 HydrophobicContact CD2-CB 4.3Å; L800-P859 HydrophobicContact CD2-CG 3.95Å; L833-P859 HydrophobicContact CD2-CB 4.11Å; L833-P859 HydrophobicContact CD2-CG 4.21Å; I836-P859 HydrophobicContact CD1-CB 3.6Å; L852-P859 HydrophobicContact CB-CB 4.46Å; L852-P859 HydrophobicContact CD1-CB 4.25Å; P859-G862 PolarHBondContact O-N 3.37Å; P859-K863 PolarHBondContact O-N 2.99Å
860V85.7Confident84.7Confident35 Ų3517.4 Ų17.421%0.2129%0.089CC..Hα-helixtrans-69.2-44177.7-166.60000109.8V832 I836 D858 G862 K863 T864V832-V860 HydrophobicContact CG1-CG2 4.4Å; I836-V860 HydrophobicContact CG2-CB 4.49Å; I836-V860 HydrophobicContact CG2-CG1 4.27Å; I836-V860 HydrophobicContact CG2-CG2 4.09Å; D858-V860 VanDerWaalsContact C-N 3.3Å; D858-V860 PolarHBondContact O-N 2.97Å; D858-V860 WeakPolarHBondContact OD1-CA 3.38Å; D858-V860 VanDerWaalsContact OD1-CB 3.23Å; D858-V860 WeakPolarHBondContact OD1-CB 3.15Å; D858-V860 WeakPolarHBondContact OD1-CG2 3.38Å; D858-V860 PolarHBondContact OD1-N 3.43Å; V860-G862 VanDerWaalsContact C-N 3.35Å; V860-K863 PolarHBondContact O-N 3.04Å; V860-T864 PolarHBondContact O-N 3.11Å; V860-T864 PolarHBondContact O-OG1 3.28Å
861F89.2Confident84.3Confident13 Ų1314.3 Ų14.36%0.0578%0.078CC..Hα-helixtrans-65.2-40.4172.8-154.8-72.3000111.1D858 K863 T864 I865 M877 I880 A881 L1015 A1018 Y1019D858-F861 HydrophobicContact CB-CB 4.31Å; D858-F861 PolarHBondContact O-N 3Å; D858-F861 PolarHBondContact OD1-N 3.47Å; F861-K863 PolarHBondContact O-N 3.18Å; F861-T864 CarbonylContact O-C 3.3Å; F861-T864 WeakPolarHBondContact O-CA 3.33Å; F861-T864 VanDerWaalsContact O-CB 3.29Å; F861-T864 WeakPolarHBondContact O-CB 3.15Å; F861-T864 PolarHBondContact O-N 3.23Å; F861-I865 HydrophobicContact CD1-CD1 4.07Å; F861-I865 HydrophobicContact CD1-CG1 3.79Å; F861-I865 HydrophobicContact CE1-CD1 4.22Å; F861-I865 HydrophobicContact CE1-CG1 3.84Å; F861-I865 PolarHBondContact O-N 2.89Å; F861-M877 HydrophobicContact CE1-CE 4.09Å; F861-M877 HydrophobicContact CZ-CE 3.85Å; F861-I880 HydrophobicContact CE2-CG2 4.45Å; F861-I880 HydrophobicContact CZ-CB 4.35Å; F861-I880 HydrophobicContact CZ-CG2 3.91Å; F861-A881 HydrophobicContact CD1-CB 3.89Å; F861-A881 HydrophobicContact CE1-CB 3.61Å; F861-A881 HydrophobicContact CZ-CB 4.45Å; F861-L1015 HydrophobicContact CE2-CD2 4.17Å; F861-L1015 HydrophobicContact CZ-CD2 4.27Å; F861-A1018 HydrophobicContact CD2-CB 3.62Å; F861-A1018 HydrophobicContact CE2-CB 3.79Å; F861-A1018 HydrophobicContact CG-CB 4.25Å; F861-Y1019 HydrophobicContact CD2-CD1 4.42Å; F861-Y1019 AromaticContact CD2-CE1 3.75Å; F861-Y1019 HydrophobicContact CD2-CE1 3.75Å; F861-Y1019 AromaticContact CE2-CE1 3.9Å; F861-Y1019 HydrophobicContact CE2-CE1 3.9Å; F861-Y1019 HydrophobicContact CE2-CE2 4.24Å; F861-Y1019 AromaticContact CE2-CZ 3.64Å
862G90.2Very high84Confident1 Ų115.3 Ų15.31%0.019%0.085CC..Hα-helixtrans-58.7-42.517700000113.6D858 P859 V860 T864 I865 V866D858-G862 PolarHBondContact O-N 3.34Å; P859-G862 PolarHBondContact O-N 3.37Å; V860-G862 VanDerWaalsContact C-N 3.35Å; G862-T864 PolarHBondContact O-N 3.09Å; G862-I865 PolarHBondContact O-N 3.02Å; G862-I865 VanDerWaalsContact O-N 3.11Å; G862-V866 PolarHBondContact O-N 3.17Å
863K88.7Confident83.8Confident45 Ų4515.2 Ų15.220%0.1969%0.085CC..Hα-helixtrans-57.3-38.5172.8173.5175.8-178.8171.20110.7I836 L848 P859 V860 F861 V866 L867I836-K863 HydrophobicContact CB-CD 3.96Å; I836-K863 VanDerWaalsContact O-CD 3.27Å; I836-K863 WeakPolarHBondContact O-CD 3.38Å; I836-K863 WeakPolarHBondContact O-CE 3.27Å; I836-K863 PolarHBondContact O-NZ 2.9Å; L848-K863 HydrophobicContact CD2-CD 4.31Å; L848-K863 HydrophobicContact CD2-CG 4.25Å; P859-K863 PolarHBondContact O-N 2.99Å; V860-K863 PolarHBondContact O-N 3.04Å; F861-K863 PolarHBondContact O-N 3.18Å; K863-V866 PolarHBondContact O-N 3.47Å; K863-L867 PolarHBondContact O-N 2.95Å
864T89.3Confident83.9Confident4 Ų414.2 Ų14.23%0.0258%0.076CC..Hα-helixtrans-72.6-31.7179.5-47.60000112.4V860 F861 G862 G868 M877 L1014 A1018V860-T864 PolarHBondContact O-N 3.11Å; V860-T864 PolarHBondContact O-OG1 3.28Å; F861-T864 CarbonylContact O-C 3.3Å; F861-T864 WeakPolarHBondContact O-CA 3.33Å; F861-T864 VanDerWaalsContact O-CB 3.29Å; F861-T864 WeakPolarHBondContact O-CB 3.15Å; F861-T864 PolarHBondContact O-N 3.23Å; G862-T864 PolarHBondContact O-N 3.09Å; T864-G868 PolarHBondContact O-N 3.28Å; T864-M877 HydrophobicContact CG2-CE 3.81Å; T864-L1014 HydrophobicContact CG2-CB 3.6Å; T864-L1014 HydrophobicContact CG2-CD1 4.35Å; T864-L1014 HydrophobicContact CG2-CD2 4.13Å; T864-L1014 HydrophobicContact CG2-CG 4.23Å; T864-L1014 WeakPolarHBondContact CG2-O 3.38Å; T864-A1018 HydrophobicContact CG2-CB 3.92Å; T864-A1018 VanDerWaalsContact OG1-CA 3.27Å; T864-A1018 WeakPolarHBondContact OG1-CA 3.44Å; T864-A1018 WeakPolarHBondContact OG1-CB 3.12Å; T864-A1018 PolarHBondContact OG1-N 3.25Å
865I90.2Very high84.2Confident0 Ų012.8 Ų12.80%07%0.07CC..Hα-helixtrans-67.3-42.3170-54.6-174.6000110.9I857 F861 G862 G868 T869 M877 C878 A881 L972I857-I865 HydrophobicContact CD1-CD1 3.28Å; I857-I865 HydrophobicContact CD1-CG1 4.19Å; F861-I865 HydrophobicContact CD1-CD1 4.07Å; F861-I865 HydrophobicContact CD1-CG1 3.79Å; F861-I865 HydrophobicContact CE1-CD1 4.22Å; F861-I865 HydrophobicContact CE1-CG1 3.84Å; F861-I865 PolarHBondContact O-N 2.89Å; G862-I865 PolarHBondContact O-N 3.02Å; G862-I865 VanDerWaalsContact O-N 3.11Å; I865-G868 PolarHBondContact O-N 3.01Å; I865-T869 PolarHBondContact O-N 3.5Å; I865-T869 PolarHBondContact O-OG1 3.4Å; I865-M877 HydrophobicContact CB-CB 4.37Å; I865-M877 HydrophobicContact CG1-CB 4.16Å; I865-M877 HydrophobicContact CG2-CB 4.29Å; I865-C878 VanDerWaalsContact CG2-SG 3.56Å; I865-A881 HydrophobicContact CD1-CB 3.51Å; I865-A881 HydrophobicContact CG1-CB 4.43Å; I865-L972 HydrophobicContact CG2-CD1 3.69Å
866V87Confident84.7Confident2 Ų212.4 Ų12.41%0.0127%0.068CC..Hα-helixtrans-57.3-51.5174.6168.50000110.3L848 I851 G862 K863 G868 T869 I870 F977L848-V866 HydrophobicContact CD1-CB 4.4Å; L848-V866 HydrophobicContact CD1-CG1 4.31Å; L848-V866 HydrophobicContact CD1-CG2 4.23Å; I851-V866 HydrophobicContact CD1-CG2 4.39Å; I851-V866 HydrophobicContact CG2-CG2 4.1Å; G862-V866 PolarHBondContact O-N 3.17Å; K863-V866 PolarHBondContact O-N 3.47Å; V866-G868 VanDerWaalsContact C-N 3.31Å; V866-G868 PolarHBondContact O-N 2.69Å; V866-T869 PolarHBondContact O-N 2.83Å; V866-T869 VanDerWaalsContact O-N 3.14Å; V866-I870 HydrophobicContact CG1-CD1 4.23Å; V866-I870 WeakPolarHBondContact O-CG1 3.41Å; V866-I870 PolarHBondContact O-N 3.28Å; V866-F977 HydrophobicContact CG1-CZ 3.97Å; V866-F977 HydrophobicContact CG2-CZ 4.48Å
867L83.9Confident85.3Confident9 Ų911.7 Ų11.75%0.0476%0.063CC..Hα-helixtrans-62.4-35.5176.5-177.360.8000113K863 I870 F871 L1014 V1125 V1129K863-L867 PolarHBondContact O-N 2.95Å; L867-I870 PolarHBondContact O-N 3.47Å; L867-F871 HydrophobicContact CD1-CD2 4.15Å; L867-F871 HydrophobicContact CD1-CE1 4.17Å; L867-F871 HydrophobicContact CD1-CE2 3.66Å; L867-F871 HydrophobicContact CD1-CZ 3.67Å; L867-F871 HydrophobicContact CD2-CE2 4.05Å; L867-F871 HydrophobicContact CG-CD2 4Å; L867-F871 HydrophobicContact CG-CE2 3.68Å; L867-F871 HydrophobicContact CG-CZ 4.22Å; L867-F871 WeakPolarHBondContact O-CG 3.27Å; L867-F871 PolarHBondContact O-N 3.45Å; L867-L1014 HydrophobicContact CB-CD2 4.48Å; L867-L1014 HydrophobicContact CD2-CD2 3.55Å; L867-L1014 HydrophobicContact CG-CD2 3.85Å; L867-V1125 HydrophobicContact CD1-CG1 3.95Å; L867-V1125 HydrophobicContact CD2-CG1 3.56Å; L867-V1125 HydrophobicContact CG-CG1 4.42Å; L867-V1129 HydrophobicContact CB-CG2 4.26Å; L867-V1129 HydrophobicContact CD1-CG2 3.87Å
868G83.8Confident85.9Confident0 Ų011.1 Ų11.10%06%0.06CC..Hα-helixtrans-64.5-39.6172.900000113.2T864 I865 V866 F871 S872 I873 G874 L1014T864-G868 PolarHBondContact O-N 3.28Å; I865-G868 PolarHBondContact O-N 3.01Å; V866-G868 VanDerWaalsContact C-N 3.31Å; V866-G868 PolarHBondContact O-N 2.69Å; G868-F871 CarbonylContact O-C 3.6Å; G868-F871 PolarHBondContact O-N 2.97Å; G868-S872 PolarHBondContact O-N 3.26Å; G868-I873 CarbonylContact O-C 3.54Å; G868-I873 VanDerWaalsContact O-C 3.3Å; G868-I873 WeakPolarHBondContact O-CA 3.4Å; G868-I873 WeakPolarHBondContact O-CG1 3.42Å; G868-I873 PolarHBondContact O-N 3.29Å; G868-G874 PolarHBondContact O-N 2.78Å; G868-L1014 VanDerWaalsContact CA-CD1 3.42Å
869T83.3Confident86.5Confident0 Ų08 Ų80%04%0.044CC..Hα-helixtrans-66.6-38.2175-50.60000111.3I865 V866 S872 G874 F977 L981 L982I865-T869 PolarHBondContact O-N 3.5Å; I865-T869 PolarHBondContact O-OG1 3.4Å; V866-T869 PolarHBondContact O-N 2.83Å; V866-T869 VanDerWaalsContact O-N 3.14Å; T869-S872 PolarHBondContact O-N 2.7Å; T869-G874 WeakPolarHBondContact OG1-CA 3.25Å; T869-F977 HydrophobicContact CG2-CB 3.96Å; T869-F977 HydrophobicContact CG2-CD1 3.51Å; T869-F977 HydrophobicContact CG2-CE1 4.28Å; T869-F977 HydrophobicContact CG2-CG 3.93Å; T869-L981 HydrophobicContact CG2-CB 3.89Å; T869-L981 HydrophobicContact CG2-CD1 4.27Å; T869-L982 HydrophobicContact CG2-CD2 3.82Å; T869-L982 HydrophobicContact CG2-CG 4.1Å
870I77.7Confident86.8Confident21 Ų217.9 Ų7.911%0.1084%0.043CC..Hα-helixtrans-61.1-46.8171.6-62.9165.4000110.3V866 L867 S872 L1128 V1129 A1132 E1160V866-I870 HydrophobicContact CG1-CD1 4.23Å; V866-I870 WeakPolarHBondContact O-CG1 3.41Å; V866-I870 PolarHBondContact O-N 3.28Å; L867-I870 PolarHBondContact O-N 3.47Å; I870-S872 PolarHBondContact O-N 2.88Å; I870-L1128 HydrophobicContact CG2-CB 4.37Å; I870-V1129 HydrophobicContact CD1-CG2 4.49Å; I870-A1132 HydrophobicContact CD1-CB 3.7Å; I870-A1132 HydrophobicContact CG1-CB 4.28Å; I870-E1160 VanDerWaalsContact O-CG 3.22Å; I870-E1160 WeakPolarHBondContact O-CG 3.28Å
871F76.5Confident87Confident2 Ų26.3 Ų6.31%0.0093%0.034CC..THydrogen-bonded Turntrans-75.419.6176.8-66.9-27.2000115.2L867 G868 I873 R1002 Q1010 L1014 F1088 V1125 L1128 E1160 I1163 V1164 L1167L867-F871 HydrophobicContact CD1-CD2 4.15Å; L867-F871 HydrophobicContact CD1-CE1 4.17Å; L867-F871 HydrophobicContact CD1-CE2 3.66Å; L867-F871 HydrophobicContact CD1-CZ 3.67Å; L867-F871 HydrophobicContact CD2-CE2 4.05Å; L867-F871 HydrophobicContact CG-CD2 4Å; L867-F871 HydrophobicContact CG-CE2 3.68Å; L867-F871 HydrophobicContact CG-CZ 4.22Å; L867-F871 WeakPolarHBondContact O-CG 3.27Å; L867-F871 PolarHBondContact O-N 3.45Å; G868-F871 CarbonylContact O-C 3.6Å; G868-F871 PolarHBondContact O-N 2.97Å; F871-I873 HydrophobicContact CB-CG1 4.3Å; F871-I873 PolarHBondContact O-N 3.45Å; F871-R1002 PolarHBondContact O-NH1 3Å; F871-Q1010 PolarHBondContact O-NE2 3.42Å; F871-Q1010 VanDerWaalsContact O-NE2 3.1Å; F871-L1014 HydrophobicContact CD2-CD1 4.33Å; F871-L1014 HydrophobicContact CD2-CD2 4.11Å; F871-L1014 HydrophobicContact CD2-CG 4.5Å; F871-L1014 HydrophobicContact CE2-CD2 4.09Å; F871-F1088 HydrophobicContact CE2-CZ 4.42Å; F871-V1125 HydrophobicContact CZ-CG1 4.46Å; F871-V1125 HydrophobicContact CZ-CG2 4.29Å; F871-L1128 HydrophobicContact CE1-CD1 3.99Å; F871-E1160 WeakPolarHBondContact CA-OE1 3.3Å; F871-E1160 HydrophobicContact CD1-CG 4.18Å; F871-I1163 HydrophobicContact CD1-CG2 4.45Å; F871-I1163 HydrophobicContact CE1-CG2 3.73Å; F871-I1163 HydrophobicContact CZ-CG2 4.49Å; F871-V1164 HydrophobicContact CB-CG2 4.4Å; F871-V1164 HydrophobicContact CD1-CG2 3.9Å; F871-V1164 HydrophobicContact CG-CG2 4.33Å; F871-L1167 HydrophobicContact CE1-CD1 4.36Å; F871-L1167 HydrophobicContact CE2-CD1 4.17Å; F871-L1167 HydrophobicContact CZ-CD1 3.96Å
872S77Confident87Confident28 Ų285.7 Ų5.720%0.1963%0.031CC..THydrogen-bonded Turntrans54.431-179.5-61.10000114.8G868 T869 I870 L981 H985 E1160G868-S872 PolarHBondContact O-N 3.26Å; T869-S872 PolarHBondContact O-N 2.7Å; I870-S872 PolarHBondContact O-N 2.88Å; S872-L981 WeakPolarHBondContact OG-CD2 3.31Å; S872-H985 PolarHBondContact O-CE1 3.14Å; S872-E1160 WeakPolarHBondContact CB-OE1 3.49Å; S872-E1160 PolarHBondContact N-OE1 3.46Å; S872-E1160 PolarHBondContact OG-OE1 3.48Å; S872-E1160 PolarHBondContact OG-OE2 2.98Å
873I84.5Confident86.9Confident2 Ų25.8 Ų5.81%0.013%0.031CC..  trans-130.424.8175.661.7156.2000112.8G868 F871 D875 I876 M877 A1007 Q1010 M1011 L1014G868-I873 CarbonylContact O-C 3.54Å; G868-I873 VanDerWaalsContact O-C 3.3Å; G868-I873 WeakPolarHBondContact O-CA 3.4Å; G868-I873 WeakPolarHBondContact O-CG1 3.42Å; G868-I873 PolarHBondContact O-N 3.29Å; F871-I873 HydrophobicContact CB-CG1 4.3Å; F871-I873 PolarHBondContact O-N 3.45Å; I873-D875 PolarHBondContact O-N 3.36Å; I873-I876 HydrophobicContact CB-CD1 4.04Å; I873-I876 HydrophobicContact CG2-CD1 4.1Å; I873-I876 WeakPolarHBondContact O-CB 3.44Å; I873-I876 PolarHBondContact O-N 3.5Å; I873-I876 VanDerWaalsContact O-N 3.13Å; I873-M877 HydrophobicContact CD1-CG 4.34Å; I873-M877 HydrophobicContact CD1-SD 4.43Å; I873-M877 PolarHBondContact O-N 2.87Å; I873-M877 VanDerWaalsContact O-N 3.15Å; I873-A1007 HydrophobicContact CG2-CB 3.71Å; I873-Q1010 HydrophobicContact CD1-CB 3.57Å; I873-Q1010 HydrophobicContact CG1-CB 4.47Å; I873-M1011 HydrophobicContact CD1-CB 4.45Å; I873-L1014 HydrophobicContact CD1-CD1 3.71Å; I873-L1014 HydrophobicContact CG1-CD1 4.26Å
874G85.5Confident86.7Confident0 Ų05.3 Ų5.30%03%0.034CC..Hα-helixtrans-61-30.4-177.900000112.9G868 T869 I876 M877 C878G868-G874 PolarHBondContact O-N 2.78Å; T869-G874 WeakPolarHBondContact OG1-CA 3.25Å; G874-I876 PolarHBondContact O-N 2.94Å; G874-M877 PolarHBondContact O-N 2.85Å; G874-C878 WeakPolarHBondContact O-CB 3.29Å; G874-C878 PolarHBondContact O-N 3.23Å; G874-C878 PolarHBondContact O-SG 3.38Å; G874-C878 VanDerWaalsContact O-SG 3.34Å
875D87.8Confident86.2Confident0 Ų07.5 Ų7.50%05%0.049CC..Hα-helixtrans-63.5-40.3175.378.9-58.3000113.3I873 S879 Q983 M984 H985I873-D875 PolarHBondContact O-N 3.36Å; D875-S879 WeakPolarHBondContact O-CB 3.39Å; D875-S879 PolarHBondContact O-N 3.43Å; D875-S879 PolarHBondContact O-OG 3.07Å; D875-Q983 WeakPolarHBondContact CB-O 2.95Å; D875-M984 VanDerWaalsContact OD2-CA 3.3Å; D875-M984 WeakPolarHBondContact OD2-CA 3.4Å; D875-H985 IonicContact OD1-CE1 2.71Å; D875-H985 IonicContact OD1-CG 3.64Å; D875-H985 IonicContact OD1-ND1 3.77Å; D875-H985 PolarHBondContact OD1-ND1 3.15Å; D875-H985 PolarHBondContact OD2-N 3.11Å; D875-H985 IonicContact OD2-ND1 3.87Å
876I90.8Very high85.5Confident0 Ų010 Ų100%06%0.06CC..Hα-helixtrans-67.7-47.1176.9-69159000109.1I873 G874 C878 S879 I880 L918 H985 I987 A1007 M1011I873-I876 HydrophobicContact CB-CD1 4.04Å; I873-I876 HydrophobicContact CG2-CD1 4.1Å; I873-I876 WeakPolarHBondContact O-CB 3.44Å; I873-I876 PolarHBondContact O-N 3.5Å; I873-I876 VanDerWaalsContact O-N 3.13Å; G874-I876 PolarHBondContact O-N 2.94Å; I876-C878 PolarHBondContact O-N 2.91Å; I876-S879 WeakPolarHBondContact O-CA 3.3Å; I876-S879 WeakPolarHBondContact O-CB 3.45Å; I876-S879 PolarHBondContact O-N 3.24Å; I876-S879 VanDerWaalsContact O-N 3.07Å; I876-I880 HydrophobicContact CG2-CG1 4.43Å; I876-I880 WeakPolarHBondContact O-CG1 3.26Å; I876-I880 PolarHBondContact O-N 3.21Å; I876-L918 HydrophobicContact CG1-CD2 4.42Å; I876-L918 HydrophobicContact CG2-CD2 3.72Å; I876-H985 HydrophobicContact CD1-CB 3.97Å; I876-H985 HydrophobicContact CG1-CB 4.32Å; I876-I987 HydrophobicContact CD1-CD1 3.7Å; I876-I987 HydrophobicContact CG1-CD1 3.85Å; I876-A1007 HydrophobicContact CD1-CB 3.61Å; I876-M1011 HydrophobicContact CG2-CB 4Å; I876-M1011 HydrophobicContact CG2-CG 3.66Å; I876-M1011 HydrophobicContact CG2-SD 3.66Å
877M92.5Very high84.9Confident0 Ų012 Ų120%07%0.071CC..Hα-helixtrans-66.2-38.1-179.2-61.6-50.1-59.600112.3F861 T864 I865 I873 G874 S879 I880 A881 M1011 L1014 L1015F861-M877 HydrophobicContact CE1-CE 4.09Å; F861-M877 HydrophobicContact CZ-CE 3.85Å; T864-M877 HydrophobicContact CG2-CE 3.81Å; I865-M877 HydrophobicContact CB-CB 4.37Å; I865-M877 HydrophobicContact CG1-CB 4.16Å; I865-M877 HydrophobicContact CG2-CB 4.29Å; I873-M877 HydrophobicContact CD1-CG 4.34Å; I873-M877 HydrophobicContact CD1-SD 4.43Å; I873-M877 PolarHBondContact O-N 2.87Å; I873-M877 VanDerWaalsContact O-N 3.15Å; G874-M877 PolarHBondContact O-N 2.85Å; M877-S879 VanDerWaalsContact C-N 3.35Å; M877-I880 PolarHBondContact O-N 2.98Å; M877-A881 VanDerWaalsContact O-CB 3.3Å; M877-A881 WeakPolarHBondContact O-CB 3.46Å; M877-A881 PolarHBondContact O-N 2.96Å; M877-M1011 HydrophobicContact SD-CB 4.47Å; M877-M1011 HydrophobicContact SD-CG 3.99Å; M877-L1014 HydrophobicContact CE-CB 4.04Å; M877-L1014 HydrophobicContact CG-CD1 3.97Å; M877-L1014 HydrophobicContact SD-CB 4.1Å; M877-L1014 HydrophobicContact SD-CD1 4.06Å; M877-L1015 HydrophobicContact CE-CD2 4.34Å
878C93.1Very high84.9Confident0 Ų012.4 Ų12.40%07%0.072CC..Hα-helixtrans-60.7-41.1168.3-75.20000112.6I865 G874 I876 A881 A882 T965 L968 K969 L972I865-C878 VanDerWaalsContact CG2-SG 3.56Å; G874-C878 WeakPolarHBondContact O-CB 3.29Å; G874-C878 PolarHBondContact O-N 3.23Å; G874-C878 PolarHBondContact O-SG 3.38Å; G874-C878 VanDerWaalsContact O-SG 3.34Å; I876-C878 PolarHBondContact O-N 2.91Å; C878-A881 PolarHBondContact O-N 2.58Å; C878-A882 PolarHBondContact O-N 3.2Å; C878-T965 HydrophobicContact CB-CG2 4.34Å; C878-L968 HydrophobicContact CB-CB 4.07Å; C878-K969 HydrophobicContact CB-CG 4.28Å; C878-L972 VanDerWaalsContact SG-CD1 3.6Å
879S92.5Very high85Confident2 Ų212.5 Ų12.51%0.0147%0.072CC..Hα-helixtrans-65.5-43.6178.1-56.20000111.5D875 I876 M877 A882 L883 Y921 T965D875-S879 WeakPolarHBondContact O-CB 3.39Å; D875-S879 PolarHBondContact O-N 3.43Å; D875-S879 PolarHBondContact O-OG 3.07Å; I876-S879 WeakPolarHBondContact O-CA 3.3Å; I876-S879 WeakPolarHBondContact O-CB 3.45Å; I876-S879 PolarHBondContact O-N 3.24Å; I876-S879 VanDerWaalsContact O-N 3.07Å; M877-S879 VanDerWaalsContact C-N 3.35Å; S879-A882 PolarHBondContact O-N 3.11Å; S879-L883 WeakPolarHBondContact O-CB 3.41Å; S879-L883 WeakPolarHBondContact O-CD1 3.42Å; S879-L883 VanDerWaalsContact O-CG 3.26Å; S879-L883 WeakPolarHBondContact O-CG 3.48Å; S879-L883 PolarHBondContact O-N 3.1Å; S879-Y921 WeakPolarHBondContact OG-CE1 3.44Å; S879-T965 WeakPolarHBondContact OG-CG2 3.49Å
880I93.1Very high85.3Confident1 Ų113.6 Ų13.61%0.0058%0.077CC..Hα-helixtrans-67.1-39.4175.6-61.1-58.8000111.5F861 I876 M877 A882 L883 S884 H914 L918 M1011 L1015F861-I880 HydrophobicContact CE2-CG2 4.45Å; F861-I880 HydrophobicContact CZ-CB 4.35Å; F861-I880 HydrophobicContact CZ-CG2 3.91Å; I876-I880 HydrophobicContact CG2-CG1 4.43Å; I876-I880 WeakPolarHBondContact O-CG1 3.26Å; I876-I880 PolarHBondContact O-N 3.21Å; M877-I880 PolarHBondContact O-N 2.98Å; I880-A882 VanDerWaalsContact C-N 3.34Å; I880-A882 PolarHBondContact O-N 3.46Å; I880-L883 HydrophobicContact CD1-CD1 4.25Å; I880-L883 PolarHBondContact O-N 2.79Å; I880-S884 WeakPolarHBondContact O-CB 3.25Å; I880-S884 PolarHBondContact O-N 2.76Å; I880-S884 PolarHBondContact O-OG 3.15Å; I880-H914 HydrophobicContact CD1-CB 4.04Å; I880-H914 WeakPolarHBondContact CD1-O 3.19Å; I880-L918 HydrophobicContact CD1-CB 3.96Å; I880-L918 HydrophobicContact CD1-CD1 4.32Å; I880-L918 HydrophobicContact CD1-CD2 4.39Å; I880-L918 HydrophobicContact CD1-CG 4.47Å; I880-M1011 HydrophobicContact CD1-SD 4.05Å; I880-M1011 HydrophobicContact CG1-CG 4.46Å; I880-M1011 HydrophobicContact CG1-SD 3.92Å; I880-L1015 HydrophobicContact CG2-CD2 3.89Å
881A91.1Very high85.5Confident3 Ų316.9 Ų16.93%0.0259%0.094CC..Hα-helixtrans-61.5-41.817600000112.2F861 I865 M877 C878 S885 L968F861-A881 HydrophobicContact CD1-CB 3.89Å; F861-A881 HydrophobicContact CE1-CB 3.61Å; F861-A881 HydrophobicContact CZ-CB 4.45Å; I865-A881 HydrophobicContact CD1-CB 3.51Å; I865-A881 HydrophobicContact CG1-CB 4.43Å; M877-A881 VanDerWaalsContact O-CB 3.3Å; M877-A881 WeakPolarHBondContact O-CB 3.46Å; M877-A881 PolarHBondContact O-N 2.96Å; C878-A881 PolarHBondContact O-N 2.58Å; A881-S885 WeakPolarHBondContact O-CB 3.46Å; A881-S885 PolarHBondContact O-N 3.31Å; A881-S885 PolarHBondContact O-OG 3.04Å; A881-L968 HydrophobicContact CB-CD1 3.86Å
882A88.4Confident85.7Confident0 Ų018.2 Ų18.20%010%0.101CC..Hα-helixtrans-64.4-49.9172.200000111.2C878 S879 I880 S884 S885 F886 I961 A964 T965C878-A882 PolarHBondContact O-N 3.2Å; S879-A882 PolarHBondContact O-N 3.11Å; I880-A882 VanDerWaalsContact C-N 3.34Å; I880-A882 PolarHBondContact O-N 3.46Å; A882-S884 PolarHBondContact O-N 2.99Å; A882-S885 WeakPolarHBondContact O-CB 3.45Å; A882-S885 PolarHBondContact O-N 3.11Å; A882-F886 WeakPolarHBondContact O-CD2 3.34Å; A882-I961 HydrophobicContact CB-CG2 4.1Å; A882-A964 HydrophobicContact CB-CB 4.04Å; A882-T965 WeakPolarHBondContact CB-OG1 3.46Å
883L89.2Confident85.5Confident2 Ų218.2 Ų18.21%0.0110%0.1CC..Hα-helixtrans-58.4-31.6177.8-76.4161.4000113.6S879 I880 L917 I961S879-L883 WeakPolarHBondContact O-CB 3.41Å; S879-L883 WeakPolarHBondContact O-CD1 3.42Å; S879-L883 VanDerWaalsContact O-CG 3.26Å; S879-L883 WeakPolarHBondContact O-CG 3.48Å; S879-L883 PolarHBondContact O-N 3.1Å; I880-L883 HydrophobicContact CD1-CD1 4.25Å; I880-L883 PolarHBondContact O-N 2.79Å; L883-L917 HydrophobicContact CD1-CB 4.07Å; L883-L917 HydrophobicContact CD2-CB 4.28Å; L883-I961 HydrophobicContact CD2-CD1 4Å; L883-I961 HydrophobicContact CD2-CG2 3.93Å; L883-I961 HydrophobicContact CG-CG2 3.95Å
884S84.5Confident84.5Confident36 Ų3622.4 Ų22.425%0.25212%0.122SC..Hα-helixtrans-87.5-16.5177.9-48.20000113.1I880 A882 F886 Y1019I880-S884 WeakPolarHBondContact O-CB 3.25Å; I880-S884 PolarHBondContact O-N 2.76Å; I880-S884 PolarHBondContact O-OG 3.15Å; A882-S884 PolarHBondContact O-N 2.99Å; S884-F886 VanDerWaalsContact C-N 3.28Å; S884-F886 PolarHBondContact O-N 3.43Å; S884-Y1019 PolarHBondContact OG-OH 3.34Å
885S77Confident83.8Confident49 Ų4929.6 Ų29.634%0.34316%0.155SC..SBendtrans-77.2-10.5174.9-66.30000113.6R440 A881 A882R440-S885 PolarHBondContact NH2-OG 2.98Å; A881-S885 WeakPolarHBondContact O-CB 3.46Å; A881-S885 PolarHBondContact O-N 3.31Å; A881-S885 PolarHBondContact O-OG 3.04Å; A882-S885 WeakPolarHBondContact O-CB 3.45Å; A882-S885 PolarHBondContact O-N 3.11Å
886F75.5Confident83.1Confident53 Ų5332.3 Ų32.323%0.23217%0.168CC..SBendtrans-129-176.7-179.4-54-75.1000111.5F441 A882 S884 L957 T960 I961 A964F441-F886 HydrophobicContact CD2-CZ 4.25Å; F441-F886 HydrophobicContact CE2-CZ 4.2Å; A882-F886 WeakPolarHBondContact O-CD2 3.34Å; S884-F886 VanDerWaalsContact C-N 3.28Å; S884-F886 PolarHBondContact O-N 3.43Å; F886-L957 HydrophobicContact CB-CD1 3.81Å; F886-L957 HydrophobicContact CG-CD1 4.14Å; F886-T960 HydrophobicContact CE1-CG2 3.98Å; F886-T960 HydrophobicContact CE2-CG2 4.39Å; F886-T960 HydrophobicContact CZ-CG2 3.73Å; F886-I961 HydrophobicContact CD2-CG1 3.61Å; F886-I961 HydrophobicContact CE2-CG1 4.16Å; F886-I961 HydrophobicContact CG-CG1 4.45Å; F886-A964 HydrophobicContact CE2-CB 3.86Å; F886-A964 HydrophobicContact CZ-CB 4.16Å
887I75.4Confident82.5Confident45 Ų4539.6 Ų39.623%0.23120%0.2CC..  trans-74.4154.5173.183.9169.9000110.3Q667 L957Q667-I887 HydrophobicContact CB-CG2 3.88Å; Q667-I887 VanDerWaalsContact CD-CG2 3.4Å; Q667-I887 HydrophobicContact CG-CG2 3.62Å; I887-L957 HydrophobicContact CG1-CD2 3.71Å
888E83.1Confident82.1Confident16 Ų1642.7 Ų42.78%0.07521%0.211CC..  trans-59.3131.3173.2-54.9116.6159.300109.4Y890 L917 R1075E888-Y890 HydrophobicContact CB-CD2 3.51Å; E888-Y890 HydrophobicContact CB-CE2 3.87Å; E888-Y890 HydrophobicContact CG-CD2 4.36Å; E888-Y890 HydrophobicContact CG-CE2 4.36Å; E888-Y890 PolarHBondContact O-N 3.38Å; E888-L917 HydrophobicContact CB-CD2 4.24Å; E888-L917 HydrophobicContact CG-CD2 4.48Å; E888-R1075 IonicContact OE1-CZ 3.21Å; E888-R1075 IonicContact OE1-NE 3.75Å; E888-R1075 PolarHBondContact OE1-NE 3.36Å; E888-R1075 IonicContact OE1-NH2 2.81Å; E888-R1075 IonicContact OE2-CZ 3.71Å; E888-R1075 IonicContact OE2-NE 2.67Å; E888-R1075 PolarHBondContact OE2-NE 2.92Å; E888-R1075 IonicContact OE2-NH2 3.19Å; E888-R1075 PolarHBondContact OE2-NH2 3.5Å
889P87.4Confident81.9Confident2 Ų243.3 Ų43.31%0.01322%0.215CC..  trans-718-171.129.3-35.9000114.6I891 L917 V953 N954 L957 L958P889-I891 PolarHBondContact O-N 3.16Å; P889-L917 HydrophobicContact CG-CD2 4.28Å; P889-V953 CarbonylContact O-C 3.59Å; P889-V953 WeakPolarHBondContact O-CA 3.25Å; P889-N954 PolarHBondContact O-N 3.26Å; P889-L957 HydrophobicContact CB-CD2 4.22Å; P889-L957 HydrophobicContact CB-CG 4.49Å; P889-L958 HydrophobicContact CB-CD1 4.49Å; P889-L958 HydrophobicContact CB-CD2 4.09Å; P889-L958 HydrophobicContact CB-CG 4.04Å; P889-L958 HydrophobicContact CG-CD2 4.01Å; P889-L958 HydrophobicContact CG-CG 4.49Å
890Y88.2Confident81.7Confident23 Ų2344.1 Ų44.19%0.0922%0.22CC..BIsolated β-bridgetrans-68.2119.2-178.9-57.1-65.2000112.5E888 I892 L899 Q903 L917 I920 V953E888-Y890 HydrophobicContact CB-CD2 3.51Å; E888-Y890 HydrophobicContact CB-CE2 3.87Å; E888-Y890 HydrophobicContact CG-CD2 4.36Å; E888-Y890 HydrophobicContact CG-CE2 4.36Å; E888-Y890 PolarHBondContact O-N 3.38Å; Y890-I892 PolarHBondContact O-N 2.88Å; Y890-L899 HydrophobicContact CD1-CD2 3.77Å; Y890-L899 HydrophobicContact CD2-CD1 4.39Å; Y890-L899 HydrophobicContact CD2-CD2 3.5Å; Y890-L899 HydrophobicContact CE1-CD1 4.17Å; Y890-L899 HydrophobicContact CE1-CD2 4.17Å; Y890-L899 HydrophobicContact CE2-CD1 3.96Å; Y890-L899 HydrophobicContact CE2-CD2 3.95Å; Y890-L899 HydrophobicContact CG-CD2 3.42Å; Y890-L899 VanDerWaalsContact CG-CD2 3.42Å; Y890-Q903 HydrophobicContact CD1-CB 4.16Å; Y890-Q903 HydrophobicContact CD1-CG 4Å; Y890-Q903 HydrophobicContact CE1-CB 4.03Å; Y890-Q903 HydrophobicContact CE1-CG 4.3Å; Y890-L917 HydrophobicContact CE2-CD2 3.8Å; Y890-I920 HydrophobicContact CD1-CD1 4.36Å; Y890-I920 HydrophobicContact CE1-CD1 3.45Å; Y890-I920 VanDerWaalsContact CE1-CD1 3.45Å; Y890-V953 HydrophobicContact CD1-CG1 4.34Å
891I82.7Confident81.4Confident90 Ų9049.8 Ų49.846%0.46225%0.246SC..  trans-82.9100.8164.9-56.3173.4000106.9P889 P893 R952 N954P889-I891 PolarHBondContact O-N 3.16Å; I891-P893 WeakPolarHBondContact O-CD 3.32Å; I891-R952 HydrophobicContact CB-CB 4.27Å; I891-R952 WeakPolarHBondContact CB-O 3.46Å; I891-R952 PolarHBondContact N-O 3.22Å; I891-R952 WeakPolarHBondContact O-CB 3.44Å; I891-N954 HydrophobicContact CD1-CB 4.5Å; I891-N954 HydrophobicContact CG1-CB 4.27Å
892I80.4Confident81.2Confident30 Ų3052 Ų5215%0.15426%0.262CS..  trans-96112.1177.3-58.6172.8000108.1Y890 Q896 L899 H1045Y890-I892 PolarHBondContact O-N 2.88Å; I892-Q896 HydrophobicContact CG2-CB 3.95Å; I892-Q896 VanDerWaalsContact CG2-O 3.3Å; I892-Q896 WeakPolarHBondContact CG2-O 3.2Å; I892-L899 HydrophobicContact CD1-CD2 3.82Å; I892-L899 HydrophobicContact CG1-CD2 4.14Å; I892-H1045 HydrophobicContact CD1-CB 4.27Å; I892-H1045 WeakPolarHBondContact CD1-CD2 3.47Å; I892-H1045 WeakPolarHBondContact CD1-NE2 3.45Å
893P72.7Confident81.3Confident29 Ų2952 Ų5219%0.18826%0.262CS..  trans-59.7155.7-179.6-24.935.2000113I891 H895 Q896I891-P893 WeakPolarHBondContact O-CD 3.32Å; P893-H895 PolarHBondContact O-N 3.42Å; P893-Q896 HydrophobicContact CB-CG 4.3Å; P893-Q896 HydrophobicContact CG-CG 4.45Å; P893-Q896 PolarHBondContact O-N 3.1Å
894L63.1Low81.3Confident90 Ų9053 Ų5347%0.47127%0.266SS..THydrogen-bonded Turntrans-61.5-26.1-166.6-50.6-174.7000114I633 R637I633-L894 HydrophobicContact CG2-CD2 4.3Å; R637-L894 HydrophobicContact CG-CD1 3.81Å; R637-L894 PolarHBondContact NH1-O 2.8Å
895H71.4Confident81.4Confident150 Ų15053.2 Ų53.269%0.69427%0.27SS*.THydrogen-bonded Turntrans-87.4-12.7175.760.5-96.5000114.2P893P893-H895 PolarHBondContact O-N 3.42Å
896Q74.1Confident81.9Confident58 Ų5851 Ų5127%0.27125%0.254SS..  trans-96.2127.3-179.1-56.1-164-35.300110.3I892 P893 R952I892-Q896 HydrophobicContact CG2-CB 3.95Å; I892-Q896 VanDerWaalsContact CG2-O 3.3Å; I892-Q896 WeakPolarHBondContact CG2-O 3.2Å; P893-Q896 HydrophobicContact CB-CG 4.3Å; P893-Q896 HydrophobicContact CG-CG 4.45Å; P893-Q896 PolarHBondContact O-N 3.1Å; Q896-R952 VanDerWaalsContact OE1-NH1 3.09Å
897K76.9Confident82.4Confident153 Ų15349.1 Ų49.167%0.66525%0.247SC*.SBendtrans-90.8-6.4178.2-67.7-179.6-179.61740113.4
898R85.1Confident82.7Confident65 Ų6549.4 Ų49.425%0.24526%0.261CS..SBendtrans-147.6175.5-176.5-55.1-169.3-169154.913.4110.9K1044 C1049 E1050 S1051R898-K1044 WeakPolarHBondContact CA-O 3.32Å; R898-K1044 WeakPolarHBondContact CB-O 3.39Å; R898-K1044 WeakPolarHBondContact CG-O 3.38Å; R898-C1049 WeakPolarHBondContact CD-O 3.4Å; R898-C1049 PolarHBondContact NH1-O 3.41Å; R898-E1050 IonicContact NH1-OE1 2.76Å; R898-S1051 VanDerWaalsContact CZ-OG 3.31Å; R898-S1051 VanDerWaalsContact NH1-N 3.12Å; R898-S1051 PolarHBondContact NH1-OG 3.07Å; R898-S1051 PolarHBondContact NH2-OG 3.25Å
899L88.3Confident82.6Confident13 Ų1352.7 Ų52.77%0.06829%0.286CS..  trans-59.7151.8171.2-58.5-174.1000112.7Y890 I892 Q903 K904 H1045 V1047Y890-L899 HydrophobicContact CD1-CD2 3.77Å; Y890-L899 HydrophobicContact CD2-CD1 4.39Å; Y890-L899 HydrophobicContact CD2-CD2 3.5Å; Y890-L899 HydrophobicContact CE1-CD1 4.17Å; Y890-L899 HydrophobicContact CE1-CD2 4.17Å; Y890-L899 HydrophobicContact CE2-CD1 3.96Å; Y890-L899 HydrophobicContact CE2-CD2 3.95Å; Y890-L899 HydrophobicContact CG-CD2 3.42Å; Y890-L899 VanDerWaalsContact CG-CD2 3.42Å; I892-L899 HydrophobicContact CD1-CD2 3.82Å; I892-L899 HydrophobicContact CG1-CD2 4.14Å; L899-Q903 HydrophobicContact CB-CB 4.11Å; L899-K904 HydrophobicContact CB-CG 4.25Å; L899-H1045 VanDerWaalsContact CD1-O 3.26Å; L899-H1045 WeakPolarHBondContact CD1-O 3.36Å; L899-H1045 WeakPolarHBondContact CG-O 3.42Å; L899-V1047 HydrophobicContact CD1-CG1 3.85Å
900S88.6Confident82.4Confident18 Ų1854.2 Ų54.213%0.12629%0.291CS..  trans-76.5159.6168.163.50000111.7S902 Q903 K904S900-S902 PolarHBondContact O-N 3.37Å; S900-S902 PolarHBondContact OG-OG 2.81Å; S900-Q903 WeakPolarHBondContact O-CA 3.38Å; S900-Q903 WeakPolarHBondContact O-CB 3.48Å; S900-Q903 PolarHBondContact O-N 2.83Å; S900-Q903 WeakPolarHBondContact OG-CG 3.32Å; S900-Q903 PolarHBondContact OG-OE1 3.39Å; S900-K904 PolarHBondContact O-N 3.02Å
901E87.2Confident82.5Confident120 Ų12055.8 Ų55.856%0.56130%0.299SS*.Hα-helixtrans-63.1-33.1179.9-152.855.1-136.200112.3Q903 K904 A905E901-Q903 VanDerWaalsContact C-N 3.26Å; E901-Q903 PolarHBondContact O-N 3.31Å; E901-K904 PolarHBondContact O-N 3.13Å; E901-K904 WeakPolarHBondContact OE2-CD 3.44Å; E901-K904 WeakPolarHBondContact OE2-CE 3.34Å; E901-K904 IonicContact OE2-NZ 3.86Å; E901-K904 PolarHBondContact OE2-NZ 3.32Å; E901-A905 VanDerWaalsContact O-CB 3.28Å; E901-A905 WeakPolarHBondContact O-CB 3.4Å; E901-A905 PolarHBondContact O-N 3Å
902S86.3Confident82.9Confident50 Ų5051.5 Ų51.535%0.3528%0.277SS..Hα-helixtrans-60.6-31.1171.2540000114S900 F906 R990S900-S902 PolarHBondContact O-N 3.37Å; S900-S902 PolarHBondContact OG-OG 2.81Å; S902-F906 WeakPolarHBondContact O-CD2 3.31Å; S902-F906 WeakPolarHBondContact O-CE2 3.35Å; S902-R990 PolarHBondContact O-NH1 3.28Å
903Q89.6Confident83.6Confident0 Ų050.3 Ų50.30%027%0.271CS..Hα-helixtrans-81.8-42.8174.9-71.5169.6-24.600111.6Y890 L899 S900 E901 A905 Y951 R952Y890-Q903 HydrophobicContact CD1-CB 4.16Å; Y890-Q903 HydrophobicContact CD1-CG 4Å; Y890-Q903 HydrophobicContact CE1-CB 4.03Å; Y890-Q903 HydrophobicContact CE1-CG 4.3Å; L899-Q903 HydrophobicContact CB-CB 4.11Å; S900-Q903 WeakPolarHBondContact O-CA 3.38Å; S900-Q903 WeakPolarHBondContact O-CB 3.48Å; S900-Q903 PolarHBondContact O-N 2.83Å; S900-Q903 WeakPolarHBondContact OG-CG 3.32Å; S900-Q903 PolarHBondContact OG-OE1 3.39Å; E901-Q903 VanDerWaalsContact C-N 3.26Å; E901-Q903 PolarHBondContact O-N 3.31Å; Q903-A905 VanDerWaalsContact C-N 3.35Å; Q903-A905 PolarHBondContact O-N 2.96Å; Q903-Y951 VanDerWaalsContact CG-O 3.28Å; Q903-Y951 WeakPolarHBondContact CG-O 3.42Å; Q903-Y951 PolarHBondContact NE2-O 2.98Å; Q903-Y951 VanDerWaalsContact NE2-O 3.13Å; Q903-R952 PolarHBondContact NE2-O 3.33Å
904K89.3Confident84.7Confident23 Ų2348.9 Ų48.910%0.126%0.262CS..Hα-helixtrans-59-45.4176.1-68.5-165.9-161.7153.10112.2L899 S900 E901 F906 T907 V1047 E1050L899-K904 HydrophobicContact CB-CG 4.25Å; S900-K904 PolarHBondContact O-N 3.02Å; E901-K904 PolarHBondContact O-N 3.13Å; E901-K904 WeakPolarHBondContact OE2-CD 3.44Å; E901-K904 WeakPolarHBondContact OE2-CE 3.34Å; E901-K904 IonicContact OE2-NZ 3.86Å; E901-K904 PolarHBondContact OE2-NZ 3.32Å; K904-F906 PolarHBondContact O-N 3.4Å; K904-T907 WeakPolarHBondContact O-CB 3.48Å; K904-T907 WeakPolarHBondContact O-CG2 3.18Å; K904-T907 PolarHBondContact O-N 2.99Å; K904-V1047 HydrophobicContact CB-CB 4.46Å; K904-E1050 IonicContact NZ-OE1 3.26Å; K904-E1050 IonicContact NZ-OE2 3.54Å; K904-E1050 PolarHBondContact NZ-OE2 2.9Å
905A87.2Confident86Confident41 Ų4145 Ų4534%0.33924%0.242SC..G310 helixtrans-70.3-0.4-169.500000114.7E901 Q903 T907 G908 R990E901-A905 VanDerWaalsContact O-CB 3.28Å; E901-A905 WeakPolarHBondContact O-CB 3.4Å; E901-A905 PolarHBondContact O-N 3Å; Q903-A905 VanDerWaalsContact C-N 3.35Å; Q903-A905 PolarHBondContact O-N 2.96Å; A905-T907 PolarHBondContact O-N 3.19Å; A905-G908 PolarHBondContact O-N 2.74Å; A905-R990 PolarHBondContact O-NH2 3.01Å
906F87.5Confident87Confident2 Ų237.9 Ų37.91%0.00921%0.209CC..G310 helixtrans-69.8-12.1162.1-75.6-79.7000112.8S902 K904 G908 A916 E919 I920 F947 Y951 R990S902-F906 WeakPolarHBondContact O-CD2 3.31Å; S902-F906 WeakPolarHBondContact O-CE2 3.35Å; K904-F906 PolarHBondContact O-N 3.4Å; F906-G908 VanDerWaalsContact C-N 3.25Å; F906-A916 HydrophobicContact CB-CB 3.95Å; F906-E919 WeakPolarHBondContact CA-OE2 3.45Å; F906-E919 HydrophobicContact CB-CB 4.47Å; F906-E919 HydrophobicContact CD1-CB 4.05Å; F906-E919 HydrophobicContact CD1-CG 3.9Å; F906-E919 WeakPolarHBondContact CD1-OE2 3.4Å; F906-I920 HydrophobicContact CB-CD1 4.43Å; F906-I920 HydrophobicContact CB-CG1 4.18Å; F906-I920 HydrophobicContact CD1-CG1 3.83Å; F906-I920 HydrophobicContact CD2-CD1 3.73Å; F906-I920 HydrophobicContact CD2-CG1 3.46Å; F906-I920 VanDerWaalsContact CD2-CG1 3.46Å; F906-I920 HydrophobicContact CE1-CG1 3.96Å; F906-I920 HydrophobicContact CE2-CD1 4.08Å; F906-I920 HydrophobicContact CE2-CG1 3.58Å; F906-I920 HydrophobicContact CG-CD1 4.13Å; F906-I920 HydrophobicContact CG-CG1 3.58Å; F906-I920 HydrophobicContact CZ-CG1 3.83Å; F906-F947 HydrophobicContact CE1-CE2 4.45Å; F906-F947 HydrophobicContact CZ-CE2 4.04Å; F906-F947 HydrophobicContact CZ-CZ 4.2Å; F906-Y951 HydrophobicContact CD2-CD1 4.47Å; F906-Y951 AromaticContact CE2-CD1 3.28Å; F906-Y951 HydrophobicContact CE2-CD1 3.28Å; F906-Y951 HydrophobicContact CE2-CD2 4.39Å; F906-Y951 AromaticContact CE2-CE1 3.79Å; F906-Y951 HydrophobicContact CE2-CE1 3.79Å; F906-Y951 AromaticContact CE2-CG 3.62Å; F906-Y951 HydrophobicContact CE2-CG 3.62Å; F906-Y951 AromaticContact CZ-CD1 3.46Å; F906-Y951 HydrophobicContact CZ-CD1 3.46Å; F906-Y951 VanDerWaalsContact CZ-CD1 3.46Å; F906-Y951 AromaticContact CZ-CD2 3.86Å; F906-Y951 HydrophobicContact CZ-CD2 3.86Å; F906-Y951 AromaticContact CZ-CE1 3.65Å; F906-Y951 HydrophobicContact CZ-CE1 3.65Å; F906-Y951 HydrophobicContact CZ-CE2 4.04Å; F906-Y951 AromaticContact CZ-CG 3.55Å; F906-Y951 HydrophobicContact CZ-CG 3.55Å; F906-Y951 AromaticContact CZ-CZ 3.93Å; F906-R990 VanDerWaalsContact CD2-NH1 3.3Å; F906-R990 VanDerWaalsContact CE1-NH1 3.27Å
907T86Confident87.9Confident13 Ų1335.2 Ų35.28%0.0820%0.197CC..G310 helixtrans-77.5-13.2171.8-151.20000112.9K904 A905 S909 R910 S912 V1047K904-T907 WeakPolarHBondContact O-CB 3.48Å; K904-T907 WeakPolarHBondContact O-CG2 3.18Å; K904-T907 PolarHBondContact O-N 2.99Å; A905-T907 PolarHBondContact O-N 3.19Å; T907-S909 PolarHBondContact O-N 3.43Å; T907-R910 WeakPolarHBondContact O-CB 3.46Å; T907-R910 PolarHBondContact O-N 2.94Å; T907-S912 PolarHBondContact OG1-N 3.12Å; T907-S912 PolarHBondContact OG1-O 3.31Å; T907-V1047 HydrophobicContact CG2-CB 4.41Å; T907-V1047 HydrophobicContact CG2-CG2 4.07Å
908G82.5Confident88.5Confident51 Ų5128 Ų2853%0.52617%0.165SC..THydrogen-bonded Turntrans51-127.2-17200000111.4A905 F906A905-G908 PolarHBondContact O-N 2.74Å; F906-G908 VanDerWaalsContact C-N 3.25Å
909S80.2Confident88.7Confident85 Ų8525.3 Ų25.359%0.59416%0.155SC*.THydrogen-bonded Turntrans-93.613.2175.554.90000114.5T907 F911T907-S909 PolarHBondContact O-N 3.43Å; S909-F911 WeakPolarHBondContact O-CD2 3.38Å
910R82.6Confident88.8Confident34 Ų3424.7 Ų24.713%0.12815%0.152CC..SBendtrans-97.1-14.1-167.3-53.8-56-173.196.618115.9T907 S912 T915T907-R910 WeakPolarHBondContact O-CB 3.46Å; T907-R910 PolarHBondContact O-N 2.94Å; R910-S912 VanDerWaalsContact C-N 3.33Å; R910-S912 PolarHBondContact O-N 2.83Å; R910-T915 HydrophobicContact CB-CG2 4.41Å; R910-T915 HydrophobicContact CG-CG2 4.31Å
911F90.4Very high88.8Confident57 Ų5724.3 Ų24.325%0.2515%0.148CC..  trans52.549.8179-56.5-75.2000112.6S909 N1048 F1056 P1057 F1061 M1079S909-F911 WeakPolarHBondContact O-CD2 3.38Å; F911-N1048 VanDerWaalsContact C-OD1 3.24Å; F911-N1048 WeakPolarHBondContact CA-OD1 3.4Å; F911-N1048 WeakPolarHBondContact CB-OD1 3.49Å; F911-N1048 PolarHBondContact O-ND2 3.34Å; F911-N1048 PolarHBondContact O-OD1 3.24Å; F911-F1056 HydrophobicContact CB-CD1 4.17Å; F911-F1056 HydrophobicContact CB-CE1 4.41Å; F911-F1056 AromaticContact CD1-CD1 3.58Å; F911-F1056 HydrophobicContact CD1-CD1 3.58Å; F911-F1056 AromaticContact CD1-CE1 3.6Å; F911-F1056 HydrophobicContact CD1-CE1 3.6Å; F911-F1056 HydrophobicContact CD2-CD1 4.46Å; F911-F1056 HydrophobicContact CE1-CD1 4.04Å; F911-F1056 HydrophobicContact CE1-CE1 4.16Å; F911-F1056 AromaticContact CG-CD1 3.8Å; F911-F1056 HydrophobicContact CG-CD1 3.8Å; F911-F1056 HydrophobicContact CG-CE1 4.18Å; F911-P1057 HydrophobicContact CD2-CG 4.17Å; F911-P1057 HydrophobicContact CE2-CG 3.78Å; F911-F1061 HydrophobicContact CB-CE1 4.41Å; F911-M1079 HydrophobicContact CB-CB 3.93Å; F911-M1079 HydrophobicContact CB-SD 4.23Å; F911-M1079 HydrophobicContact CD2-CE 3.97Å; F911-M1079 HydrophobicContact CD2-SD 4.05Å; F911-M1079 HydrophobicContact CG-SD 4.47Å; F911-M1079 PolarHBondContact O-N 2.96Å
912S92.8Very high88.8Confident0 Ų018.9 Ų18.90%012%0.123CC..BIsolated β-bridgetrans-142.8116-166.4174.20000112.3T907 R910 T915 A916 L1077 S1078T907-S912 PolarHBondContact OG1-N 3.12Å; T907-S912 PolarHBondContact OG1-O 3.31Å; R910-S912 VanDerWaalsContact C-N 3.33Å; R910-S912 PolarHBondContact O-N 2.83Å; S912-T915 VanDerWaalsContact CB-OG1 3.31Å; S912-T915 WeakPolarHBondContact CB-OG1 3.15Å; S912-T915 PolarHBondContact O-N 3.01Å; S912-T915 WeakPolarHBondContact OG-CB 3.49Å; S912-T915 PolarHBondContact OG-N 3.34Å; S912-T915 VanDerWaalsContact OG-N 3.16Å; S912-T915 PolarHBondContact OG-OG1 3.29Å; S912-A916 PolarHBondContact O-N 3.07Å; S912-A916 VanDerWaalsContact O-N 3.12Å; S912-L1077 WeakPolarHBondContact CA-O 3.34Å; S912-S1078 PolarHBondContact OG-OG 3Å
913D94.6Very high88.7Confident4 Ų417 Ų172%0.02111%0.109CC..Hα-helixtrans-63.3-46.4173.4-75.2-41.4000111T915 A916 L917 S1046 V1047 Q1076 L1077D913-T915 VanDerWaalsContact C-N 3.27Å; D913-T915 PolarHBondContact O-N 2.87Å; D913-A916 PolarHBondContact O-N 3.05Å; D913-A916 VanDerWaalsContact O-N 3.1Å; D913-L917 WeakPolarHBondContact O-CB 3.43Å; D913-L917 VanDerWaalsContact O-CG 3.28Å; D913-L917 WeakPolarHBondContact O-CG 3.48Å; D913-L917 PolarHBondContact O-N 2.67Å; D913-S1046 VanDerWaalsContact CG-OG 3.26Å; D913-S1046 VanDerWaalsContact OD1-CA 3.23Å; D913-S1046 WeakPolarHBondContact OD1-CA 3.19Å; D913-S1046 PolarHBondContact OD1-OG 3.25Å; D913-S1046 WeakPolarHBondContact OD2-CB 3.41Å; D913-S1046 PolarHBondContact OD2-OG 3.15Å; D913-V1047 WeakPolarHBondContact OD1-CG2 3.26Å; D913-V1047 PolarHBondContact OD1-N 2.95Å; D913-Q1076 HydrophobicContact CB-CB 4.23Å; D913-Q1076 WeakPolarHBondContact OD2-CA 3.5Å; D913-L1077 PolarHBondContact N-O 3.36Å; D913-L1077 PolarHBondContact OD2-N 3.45Å
914H94.5Very high88.6Confident0 Ų017 Ų170%011%0.109CC..Hα-helixtrans-57.8-39.5177.6-62.5105.4000112.1I880 L918 M1011 L1015 Y1019 Q1076 S1078I880-H914 HydrophobicContact CD1-CB 4.04Å; I880-H914 WeakPolarHBondContact CD1-O 3.19Å; H914-L918 VanDerWaalsContact O-CB 3.23Å; H914-L918 WeakPolarHBondContact O-CB 3.37Å; H914-L918 PolarHBondContact O-N 2.75Å; H914-M1011 HydrophobicContact CB-CE 4.32Å; H914-L1015 HydrophobicContact CB-CD1 3.73Å; H914-Y1019 AromaticContact CE1-CE2 3.59Å; H914-Y1019 AromaticContact NE2-CE2 3.46Å; H914-Y1019 WeakPolarHBondContact NE2-CE2 3.31Å; H914-Y1019 AromaticContact NE2-CZ 3.81Å; H914-Y1019 PolarHBondContact NE2-OH 2.63Å; H914-Q1076 PolarHBondContact CE1-O 2.94Å; H914-S1078 PolarHBondContact ND1-OG 3.48Å
915T91.3Very high88.4Confident9 Ų916.1 Ų16.16%0.05511%0.106CC..Hα-helixtrans-67-42.3175.4-56.90000111.9R910 S912 D913 L918 E919 L1008R910-T915 HydrophobicContact CB-CG2 4.41Å; R910-T915 HydrophobicContact CG-CG2 4.31Å; S912-T915 VanDerWaalsContact CB-OG1 3.31Å; S912-T915 WeakPolarHBondContact CB-OG1 3.15Å; S912-T915 PolarHBondContact O-N 3.01Å; S912-T915 WeakPolarHBondContact OG-CB 3.49Å; S912-T915 PolarHBondContact OG-N 3.34Å; S912-T915 VanDerWaalsContact OG-N 3.16Å; S912-T915 PolarHBondContact OG-OG1 3.29Å; D913-T915 VanDerWaalsContact C-N 3.27Å; D913-T915 PolarHBondContact O-N 2.87Å; T915-L918 PolarHBondContact O-N 3.2Å; T915-E919 PolarHBondContact O-N 3.04Å; T915-L1008 HydrophobicContact CG2-CD1 4.15Å; T915-L1008 HydrophobicContact CG2-CD2 3.83Å
916A91.4Very high88Confident0 Ų014.4 Ų14.40%09%0.092CC..Hα-helixtrans-66.1-42178.400000112.1F906 S912 D913 L918 E919 I920 V1047F906-A916 HydrophobicContact CB-CB 3.95Å; S912-A916 PolarHBondContact O-N 3.07Å; S912-A916 VanDerWaalsContact O-N 3.12Å; D913-A916 PolarHBondContact O-N 3.05Å; D913-A916 VanDerWaalsContact O-N 3.1Å; A916-L918 VanDerWaalsContact C-N 3.34Å; A916-E919 PolarHBondContact O-N 3.44Å; A916-I920 WeakPolarHBondContact O-CB 3.44Å; A916-I920 WeakPolarHBondContact O-CD1 3.38Å; A916-I920 WeakPolarHBondContact O-CG1 3.24Å; A916-I920 PolarHBondContact O-N 3.07Å; A916-V1047 HydrophobicContact CB-CG1 3.83Å
917L93Very high87.5Confident2 Ų214.5 Ų14.51%0.019%0.093CC..Hα-helixtrans-62.3-40.9174.3-70.5171.7000111.7L883 E888 P889 Y890 D913 Y921 Q1076L883-L917 HydrophobicContact CD1-CB 4.07Å; L883-L917 HydrophobicContact CD2-CB 4.28Å; E888-L917 HydrophobicContact CB-CD2 4.24Å; E888-L917 HydrophobicContact CG-CD2 4.48Å; P889-L917 HydrophobicContact CG-CD2 4.28Å; Y890-L917 HydrophobicContact CE2-CD2 3.8Å; D913-L917 WeakPolarHBondContact O-CB 3.43Å; D913-L917 VanDerWaalsContact O-CG 3.28Å; D913-L917 WeakPolarHBondContact O-CG 3.48Å; D913-L917 PolarHBondContact O-N 2.67Å; L917-Y921 WeakPolarHBondContact O-CB 3.46Å; L917-Y921 PolarHBondContact O-N 2.77Å; L917-Q1076 HydrophobicContact CD1-CG 4.36Å
918L91.4Very high87Confident1 Ų117.6 Ų17.61%0.00510%0.103CC..Hα-helixtrans-68-43.7177-173.764.2000112.7I876 I880 H914 T915 A916 Y921 Q922 I987 L1008 M1011I876-L918 HydrophobicContact CG1-CD2 4.42Å; I876-L918 HydrophobicContact CG2-CD2 3.72Å; I880-L918 HydrophobicContact CD1-CB 3.96Å; I880-L918 HydrophobicContact CD1-CD1 4.32Å; I880-L918 HydrophobicContact CD1-CD2 4.39Å; I880-L918 HydrophobicContact CD1-CG 4.47Å; H914-L918 VanDerWaalsContact O-CB 3.23Å; H914-L918 WeakPolarHBondContact O-CB 3.37Å; H914-L918 PolarHBondContact O-N 2.75Å; T915-L918 PolarHBondContact O-N 3.2Å; A916-L918 VanDerWaalsContact C-N 3.34Å; L918-Y921 HydrophobicContact CD1-CD1 4.47Å; L918-Y921 PolarHBondContact O-N 2.95Å; L918-Q922 WeakPolarHBondContact O-CG 3.46Å; L918-Q922 PolarHBondContact O-N 2.72Å; L918-I987 HydrophobicContact CD2-CD1 3.55Å; L918-I987 HydrophobicContact CG-CD1 4.32Å; L918-L1008 HydrophobicContact CD2-CD2 4.29Å; L918-M1011 HydrophobicContact CD2-SD 3.85Å
919E88.2Confident86.6Confident9 Ų919.4 Ų19.44%0.04210%0.098CC..Hα-helixtrans-65.8-39.8176.8-166.1175.2-122.200111F906 T915 A916 Y921 Q922 C923 C988 T989 R990F906-E919 WeakPolarHBondContact CA-OE2 3.45Å; F906-E919 HydrophobicContact CB-CB 4.47Å; F906-E919 HydrophobicContact CD1-CB 4.05Å; F906-E919 HydrophobicContact CD1-CG 3.9Å; F906-E919 WeakPolarHBondContact CD1-OE2 3.4Å; T915-E919 PolarHBondContact O-N 3.04Å; A916-E919 PolarHBondContact O-N 3.44Å; E919-Y921 PolarHBondContact O-N 3.32Å; E919-Q922 PolarHBondContact O-N 3.2Å; E919-C923 WeakPolarHBondContact O-CB 3.42Å; E919-C923 PolarHBondContact O-N 3.33Å; E919-C923 PolarHBondContact O-SG 3.44Å; E919-C923 VanDerWaalsContact O-SG 3.34Å; E919-C988 HydrophobicContact CG-CB 4.22Å; E919-T989 PolarHBondContact OE1-N 3.03Å; E919-T989 PolarHBondContact OE1-OG1 2.84Å; E919-R990 VanDerWaalsContact OE2-CD 3.29Å; E919-R990 WeakPolarHBondContact OE2-CD 3.42Å; E919-R990 IonicContact OE2-NE 2.62Å
920I89.7Confident85.6Confident0 Ų019.2 Ų19.20%09%0.09CC..Hα-helixtrans-57.8-47.4172-73.6166.2000111.4Y890 F906 A916 C923 F924 F947 V953 L958Y890-I920 HydrophobicContact CD1-CD1 4.36Å; Y890-I920 HydrophobicContact CE1-CD1 3.45Å; Y890-I920 VanDerWaalsContact CE1-CD1 3.45Å; F906-I920 HydrophobicContact CB-CD1 4.43Å; F906-I920 HydrophobicContact CB-CG1 4.18Å; F906-I920 HydrophobicContact CD1-CG1 3.83Å; F906-I920 HydrophobicContact CD2-CD1 3.73Å; F906-I920 HydrophobicContact CD2-CG1 3.46Å; F906-I920 VanDerWaalsContact CD2-CG1 3.46Å; F906-I920 HydrophobicContact CE1-CG1 3.96Å; F906-I920 HydrophobicContact CE2-CD1 4.08Å; F906-I920 HydrophobicContact CE2-CG1 3.58Å; F906-I920 HydrophobicContact CG-CD1 4.13Å; F906-I920 HydrophobicContact CG-CG1 3.58Å; F906-I920 HydrophobicContact CZ-CG1 3.83Å; A916-I920 WeakPolarHBondContact O-CB 3.44Å; A916-I920 WeakPolarHBondContact O-CD1 3.38Å; A916-I920 WeakPolarHBondContact O-CG1 3.24Å; A916-I920 PolarHBondContact O-N 3.07Å; I920-C923 PolarHBondContact O-N 3.46Å; I920-F924 WeakPolarHBondContact O-CB 3.3Å; I920-F924 PolarHBondContact O-N 3.15Å; I920-F947 HydrophobicContact CG2-CE1 4.46Å; I920-F947 HydrophobicContact CG2-CZ 4.34Å; I920-F947 WeakPolarHBondContact O-CZ 3.3Å; I920-V953 HydrophobicContact CD1-CG1 4.47Å; I920-V953 HydrophobicContact CG2-CB 4.5Å; I920-V953 HydrophobicContact CG2-CG1 4.07Å; I920-V953 HydrophobicContact CG2-CG2 4.36Å; I920-L958 HydrophobicContact CG2-CD1 4.49Å; I920-L958 HydrophobicContact CG2-CD2 4.44Å
921Y90.4Very high84.4Confident9 Ų919.9 Ų19.94%0.03510%0.096CC..Hα-helixtrans-63.4-43.5178.2171.9-111.6000112S879 L917 L918 E919 F924 V925 I961 F962 T965S879-Y921 WeakPolarHBondContact OG-CE1 3.44Å; L917-Y921 WeakPolarHBondContact O-CB 3.46Å; L917-Y921 PolarHBondContact O-N 2.77Å; L918-Y921 HydrophobicContact CD1-CD1 4.47Å; L918-Y921 PolarHBondContact O-N 2.95Å; E919-Y921 PolarHBondContact O-N 3.32Å; Y921-F924 WeakPolarHBondContact O-CB 3.19Å; Y921-F924 PolarHBondContact O-N 2.78Å; Y921-V925 HydrophobicContact CD2-CG2 4.21Å; Y921-V925 HydrophobicContact CE1-CG2 4.28Å; Y921-V925 HydrophobicContact CE2-CG2 3.71Å; Y921-V925 WeakPolarHBondContact O-CG2 3.44Å; Y921-V925 PolarHBondContact O-N 3.35Å; Y921-I961 HydrophobicContact CD2-CG2 3.8Å; Y921-I961 HydrophobicContact CE2-CG2 3.87Å; Y921-F962 HydrophobicContact CE2-CB 3.98Å; Y921-T965 HydrophobicContact CE1-CG2 4.34Å; Y921-T965 WeakPolarHBondContact OH-CB 3.39Å; Y921-T965 WeakPolarHBondContact OH-CG2 3.49Å; Y921-T965 PolarHBondContact OH-OG1 2.85Å
922Q86.9Confident82.5Confident6 Ų618.7 Ų18.73%0.0289%0.092CC..Hα-helixtrans-68.1-38.3177.6-70.8-167.43.300113L918 E919 F924 V925 A926 H985L918-Q922 WeakPolarHBondContact O-CG 3.46Å; L918-Q922 PolarHBondContact O-N 2.72Å; E919-Q922 PolarHBondContact O-N 3.2Å; Q922-F924 VanDerWaalsContact C-N 3.33Å; Q922-F924 PolarHBondContact O-N 2.96Å; Q922-V925 PolarHBondContact O-N 3.45Å; Q922-A926 VanDerWaalsContact O-CB 3.27Å; Q922-A926 WeakPolarHBondContact O-CB 3.32Å; Q922-A926 PolarHBondContact O-N 3.41Å; Q922-H985 VanDerWaalsContact CD-O 3.25Å; Q922-H985 PolarHBondContact NE2-O 3.48Å; Q922-H985 PolarHBondContact OE1-O 3.18Å
923C84.1Confident80.3Confident11 Ų1125.3 Ų25.37%0.07413%0.126CC..Hα-helixtrans-58.8-44.7170.2-75.50000111.7E919 I920 A926 A927 F947 C988E919-C923 WeakPolarHBondContact O-CB 3.42Å; E919-C923 PolarHBondContact O-N 3.33Å; E919-C923 PolarHBondContact O-SG 3.44Å; E919-C923 VanDerWaalsContact O-SG 3.34Å; I920-C923 PolarHBondContact O-N 3.46Å; C923-A926 PolarHBondContact O-N 2.86Å; C923-A927 VanDerWaalsContact O-CB 3.27Å; C923-A927 WeakPolarHBondContact O-CB 3.47Å; C923-A927 PolarHBondContact O-N 3.2Å; C923-F947 HydrophobicContact CB-CD2 4.01Å; C923-F947 HydrophobicContact CB-CE1 4.24Å; C923-F947 HydrophobicContact CB-CE2 3.26Å; C923-F947 HydrophobicContact CB-CZ 3.4Å; C923-F947 VanDerWaalsContact CB-CZ 3.4Å; C923-C988 PolarHBondContact SG-SG 3.33Å
924F86.1Confident77.9Confident0 Ų029 Ų290%015%0.152CC..Hα-helixtrans-60.5-46.2176.7168.1-91.2000112.2I920 Y921 Q922 A927 R928 E944 F947 A955 L958 R959 F962I920-F924 WeakPolarHBondContact O-CB 3.3Å; I920-F924 PolarHBondContact O-N 3.15Å; Y921-F924 WeakPolarHBondContact O-CB 3.19Å; Y921-F924 PolarHBondContact O-N 2.78Å; Q922-F924 VanDerWaalsContact C-N 3.33Å; Q922-F924 PolarHBondContact O-N 2.96Å; F924-A927 PolarHBondContact O-N 2.95Å; F924-R928 VanDerWaalsContact O-CB 3.29Å; F924-R928 WeakPolarHBondContact O-CB 3.48Å; F924-R928 PolarHBondContact O-N 3.35Å; F924-E944 HydrophobicContact CD2-CG 3.78Å; F924-E944 HydrophobicContact CE2-CG 3.29Å; F924-E944 HydrophobicContact CZ-CG 3.99Å; F924-F947 HydrophobicContact CB-CD1 4.16Å; F924-F947 HydrophobicContact CB-CE1 3.85Å; F924-A955 HydrophobicContact CE2-CB 4.48Å; F924-L958 HydrophobicContact CB-CD1 4.18Å; F924-L958 HydrophobicContact CD1-CB 3.84Å; F924-L958 HydrophobicContact CD2-CB 3.64Å; F924-L958 HydrophobicContact CD2-CD1 3.72Å; F924-L958 HydrophobicContact CD2-CG 4.28Å; F924-L958 HydrophobicContact CE1-CB 3.77Å; F924-L958 WeakPolarHBondContact CE1-O 3.36Å; F924-L958 HydrophobicContact CE2-CB 3.53Å; F924-L958 HydrophobicContact CE2-CD1 4.32Å; F924-L958 HydrophobicContact CG-CB 3.79Å; F924-L958 HydrophobicContact CG-CD1 4Å; F924-L958 HydrophobicContact CG-CG 4.34Å; F924-L958 HydrophobicContact CZ-CB 3.62Å; F924-R959 HydrophobicContact CZ-CG 3.74Å; F924-F962 HydrophobicContact CE1-CB 4.42Å
925V85Confident75.4Confident4 Ų431.3 Ų31.32%0.02417%0.171CC..Hα-helixtrans-65.9-41.2177.11750000111.5Y921 Q922 A927 R928 H929 F962 M984Y921-V925 HydrophobicContact CD2-CG2 4.21Å; Y921-V925 HydrophobicContact CE1-CG2 4.28Å; Y921-V925 HydrophobicContact CE2-CG2 3.71Å; Y921-V925 WeakPolarHBondContact O-CG2 3.44Å; Y921-V925 PolarHBondContact O-N 3.35Å; Q922-V925 PolarHBondContact O-N 3.45Å; V925-A927 PolarHBondContact O-N 3.24Å; V925-R928 PolarHBondContact O-N 3.18Å; V925-H929 WeakPolarHBondContact O-CB 3.14Å; V925-H929 PolarHBondContact O-N 3.17Å; V925-F962 HydrophobicContact CG1-CE2 4.3Å; V925-F962 HydrophobicContact CG2-CD2 3.72Å; V925-F962 HydrophobicContact CG2-CE2 4.29Å; V925-M984 HydrophobicContact CG1-CE 4.43Å; V925-M984 HydrophobicContact CG1-SD 3.98Å
926A78.8Confident72.9Confident5 Ų536.2 Ų36.24%0.04120%0.203CC..Hα-helixtrans-65.2-38.6178.100000112.5Q922 C923 N930 I931 I932 L991Q922-A926 VanDerWaalsContact O-CB 3.27Å; Q922-A926 WeakPolarHBondContact O-CB 3.32Å; Q922-A926 PolarHBondContact O-N 3.41Å; C923-A926 PolarHBondContact O-N 2.86Å; A926-N930 PolarHBondContact O-N 2.97Å; A926-I931 HydrophobicContact CB-CB 4.35Å; A926-I931 PolarHBondContact O-N 3.02Å; A926-I932 HydrophobicContact CB-CD1 4.22Å; A926-I932 HydrophobicContact CB-CG1 3.94Å; A926-L991 HydrophobicContact CB-CD1 4.13Å
927A77.2Confident70.4Confident5 Ų544.2 Ų44.24%0.04124%0.238CC..Hα-helixtrans-63-52171.800000111.2C923 F924 V925 H929 N930 S943 F947C923-A927 VanDerWaalsContact O-CB 3.27Å; C923-A927 WeakPolarHBondContact O-CB 3.47Å; C923-A927 PolarHBondContact O-N 3.2Å; F924-A927 PolarHBondContact O-N 2.95Å; V925-A927 PolarHBondContact O-N 3.24Å; A927-H929 VanDerWaalsContact C-N 3.35Å; A927-H929 PolarHBondContact O-N 2.81Å; A927-N930 PolarHBondContact O-N 3.24Å; A927-S943 WeakPolarHBondContact CA-OG 3.13Å; A927-S943 WeakPolarHBondContact CB-OG 3.29Å; A927-S943 PolarHBondContact O-OG 2.84Å; A927-F947 HydrophobicContact CB-CB 4.45Å
928R77.2Confident68.2Low77 Ų7749.2 Ų49.229%0.29127%0.265SS..Hα-helixtrans-60.3-38.1-179.1-178.5176172.779.91.1113.6F924 V925 E944F924-R928 VanDerWaalsContact O-CB 3.29Å; F924-R928 WeakPolarHBondContact O-CB 3.48Å; F924-R928 PolarHBondContact O-N 3.35Å; V925-R928 PolarHBondContact O-N 3.18Å; R928-E944 HydrophobicContact CB-CG 4.39Å; R928-E944 WeakPolarHBondContact CD-OE2 3.36Å; R928-E944 WeakPolarHBondContact CG-OE2 3.45Å; R928-E944 IonicContact CZ-OE2 2.76Å; R928-E944 IonicContact NE-OE2 3.7Å; R928-E944 IonicContact NH1-OE2 3.75Å; R928-E944 PolarHBondContact NH1-OE2 2.78Å
929H73.1Confident66.5Low90 Ų9057.1 Ų57.142%0.41730%0.296SS..THydrogen-bonded Turntrans-98.59.4-177.6-66.1164.6000114.8V925 A927 I931 F962V925-H929 WeakPolarHBondContact O-CB 3.14Å; V925-H929 PolarHBondContact O-N 3.17Å; A927-H929 VanDerWaalsContact C-N 3.35Å; A927-H929 PolarHBondContact O-N 2.81Å; H929-I931 HydrophobicContact CB-CD1 3.8Å; H929-I931 HydrophobicContact CB-CG1 3.94Å; H929-I931 PolarHBondContact O-N 3.19Å; H929-F962 AromaticContact CE1-CE2 3.61Å; H929-F962 AromaticContact CE1-CZ 3.5Å; H929-F962 AromaticContact NE2-CZ 3.75Å
930N59.5Low65.5Low80 Ų8057.5 Ų57.543%0.42830%0.302SS..THydrogen-bonded Turntrans57.132.3179.6-54.2-40.9000114.6A926 A927 I932 Y939 G940A926-N930 PolarHBondContact O-N 2.97Å; A927-N930 PolarHBondContact O-N 3.24Å; N930-I932 PolarHBondContact O-N 3.13Å; N930-Y939 HydrophobicContact CB-CD1 4.12Å; N930-Y939 WeakPolarHBondContact OD1-CA 3.18Å; N930-Y939 WeakPolarHBondContact OD1-CB 3.4Å; N930-G940 PolarHBondContact OD1-N 3.37Å
931I57.7Low64.7Low48 Ų4862.5 Ų62.525%0.24633%0.327CS..  trans-78.6-9.6-177.2-66.7172.4000111.7A926 H929 I933A926-I931 HydrophobicContact CB-CB 4.35Å; A926-I931 PolarHBondContact O-N 3.02Å; H929-I931 HydrophobicContact CB-CD1 3.8Å; H929-I931 HydrophobicContact CB-CG1 3.94Å; H929-I931 PolarHBondContact O-N 3.19Å; I931-I933 PolarHBondContact O-N 3.04Å
932I50.8Low63.9Low33 Ų3365 Ų6517%0.16934%0.339CS..  trans-86.9100.9-178.6-53.2169.4000109.9A926 N930 S934 A935 L991A926-I932 HydrophobicContact CB-CD1 4.22Å; A926-I932 HydrophobicContact CB-CG1 3.94Å; N930-I932 PolarHBondContact O-N 3.13Å; I932-S934 PolarHBondContact O-N 3.21Å; I932-A935 HydrophobicContact CG2-CB 3.87Å; I932-L991 HydrophobicContact CD1-CD1 4.4Å; I932-L991 HydrophobicContact CD1-CD2 3.65Å; I932-L991 HydrophobicContact CG1-CD1 4.08Å; I932-L991 HydrophobicContact CG1-CD2 3.82Å; I932-L991 HydrophobicContact CG2-CD2 4Å
933I46.7Very low63.3Low139 Ų13966 Ų6671%0.71335%0.347SS*.THydrogen-bonded Turntrans-67.9-16.5-177.3-58.9170.4000112.7I931I931-I933 PolarHBondContact O-N 3.04Å
934S42.5Very low63.2Low81 Ų8165.4 Ų65.457%0.56634%0.343SS*.THydrogen-bonded Turntrans-116.25.3-163.852.20000116.4I932I932-S934 PolarHBondContact O-N 3.21Å
935A42.8Very low62.9Low49 Ų4969.4 Ų69.441%0.40536%0.36SS..  trans-96.4115.9179.500000111.3I932 F937I932-A935 HydrophobicContact CG2-CB 3.87Å; A935-F937 VanDerWaalsContact C-N 3.27Å; A935-F937 PolarHBondContact O-N 3.13Å
936P38.1Very low62.7Low112 Ų11271.9 Ų71.973%0.72737%0.374SS*.  trans-73.71.7-168.2-20.433.5000117.5
937F39.9Very low63Low168 Ų16872.8 Ų72.874%0.73738%0.377SS*.SBendtrans-139.9130.5-168.5-71.6-78.8000114.9A935A935-F937 VanDerWaalsContact C-N 3.27Å; A935-F937 PolarHBondContact O-N 3.13Å
938N46.8Very low63.4Low106 Ų10672.9 Ų72.957%0.56738%0.377SS*.  trans50.993.3160.8-67-14.2000118.4Q942 S943N938-Q942 HydrophobicContact CB-CB 4.46Å; N938-Q942 HydrophobicContact CB-CG 4.4Å; N938-S943 WeakPolarHBondContact O-CB 3.38Å; N938-S943 PolarHBondContact O-N 3.06Å
939Y55.7Low63.8Low168 Ų16877.1 Ų77.166%0.65939%0.393SS*.THydrogen-bonded Turntrans-64.7157.2175.7-57-70.2000115.2N930N930-Y939 HydrophobicContact CB-CD1 4.12Å; N930-Y939 WeakPolarHBondContact OD1-CA 3.18Å; N930-Y939 WeakPolarHBondContact OD1-CB 3.4Å
940G67.1Low64.3Low16 Ų1676.7 Ų76.717%0.16540%0.4CS..THydrogen-bonded Turntrans75.5-138.5168.500000115N930 Q942 S943 E944N930-G940 PolarHBondContact OD1-N 3.37Å; G940-Q942 PolarHBondContact O-N 3.45Å; G940-S943 PolarHBondContact O-N 3.43Å; G940-S943 VanDerWaalsContact O-N 3.08Å; G940-S943 PolarHBondContact O-OG 2.89Å; G940-E944 PolarHBondContact O-N 2.93Å; G940-E944 VanDerWaalsContact O-N 3.14Å
941I72Confident65.6Low105 Ų10576.3 Ų76.354%0.53839%0.393SS..Hα-helixtrans-56.4-26.6-172.6-64.7171.6000112.7K945I941-K945 HydrophobicContact CG2-CD 4.37Å; I941-K945 VanDerWaalsContact O-CG 3.3Å; I941-K945 WeakPolarHBondContact O-CG 3.34Å; I941-K945 PolarHBondContact O-N 2.91Å; I941-K945 VanDerWaalsContact O-N 3.15Å
942Q73.8Confident67Low61 Ų6178.6 Ų78.629%0.28540%0.399SS..Hα-helixtrans-77.1-42.7178.4-16852.83600112.3N938 G940 E944 K945 D946N938-Q942 HydrophobicContact CB-CB 4.46Å; N938-Q942 HydrophobicContact CB-CG 4.4Å; G940-Q942 PolarHBondContact O-N 3.45Å; Q942-E944 VanDerWaalsContact C-N 3.27Å; Q942-E944 PolarHBondContact O-N 2.93Å; Q942-K945 WeakPolarHBondContact O-CB 3.49Å; Q942-K945 PolarHBondContact O-N 2.76Å; Q942-D946 PolarHBondContact NE2-OD1 3.36Å; Q942-D946 VanDerWaalsContact NE2-OD1 3.11Å; Q942-D946 PolarHBondContact NE2-OD2 2.96Å; Q942-D946 PolarHBondContact O-N 3.25Å
943S74.5Confident68.7Low27 Ų2777.1 Ų77.119%0.18939%0.391CS..Hα-helixtrans-57.9-41.7171.8108.70000111.1A927 N938 G940 K945 D946 F947A927-S943 WeakPolarHBondContact CA-OG 3.13Å; A927-S943 WeakPolarHBondContact CB-OG 3.29Å; A927-S943 PolarHBondContact O-OG 2.84Å; N938-S943 WeakPolarHBondContact O-CB 3.38Å; N938-S943 PolarHBondContact O-N 3.06Å; G940-S943 PolarHBondContact O-N 3.43Å; G940-S943 VanDerWaalsContact O-N 3.08Å; G940-S943 PolarHBondContact O-OG 2.89Å; S943-K945 PolarHBondContact O-N 2.68Å; S943-D946 PolarHBondContact O-N 3.46Å; S943-F947 WeakPolarHBondContact O-CB 3.4Å; S943-F947 PolarHBondContact O-N 3.12Å
944E81.7Confident70.5Confident0 Ų072.1 Ų72.10%037%0.366CS..Hα-helixtrans-58.3-48175.5-169.2-15999.600111.4F924 R928 G940 Q942 C948 R959F924-E944 HydrophobicContact CD2-CG 3.78Å; F924-E944 HydrophobicContact CE2-CG 3.29Å; F924-E944 HydrophobicContact CZ-CG 3.99Å; R928-E944 HydrophobicContact CB-CG 4.39Å; R928-E944 WeakPolarHBondContact CD-OE2 3.36Å; R928-E944 WeakPolarHBondContact CG-OE2 3.45Å; R928-E944 IonicContact CZ-OE2 2.76Å; R928-E944 IonicContact NE-OE2 3.7Å; R928-E944 IonicContact NH1-OE2 3.75Å; R928-E944 PolarHBondContact NH1-OE2 2.78Å; G940-E944 PolarHBondContact O-N 2.93Å; G940-E944 VanDerWaalsContact O-N 3.14Å; Q942-E944 VanDerWaalsContact C-N 3.27Å; Q942-E944 PolarHBondContact O-N 2.93Å; E944-C948 WeakPolarHBondContact O-CB 3.46Å; E944-C948 PolarHBondContact O-N 3.37Å; E944-C948 VanDerWaalsContact O-N 3.13Å; E944-C948 PolarHBondContact O-SG 3.22Å; E944-R959 IonicContact OE1-CZ 3.22Å; E944-R959 IonicContact OE1-NE 2.81Å; E944-R959 PolarHBondContact OE1-NE 2.97Å; E944-R959 IonicContact OE1-NH2 3.78Å; E944-R959 PolarHBondContact OE1-NH2 2.93Å; E944-R959 IonicContact OE2-NE 2.74Å
945K80.5Confident72.3Confident83 Ų8368.8 Ų68.836%0.36134%0.344SS..Hα-helixtrans-62.7-43.3176.8-75.2167.1-179.7173.90112.2I941 Q942 S943 C948 R949I941-K945 HydrophobicContact CG2-CD 4.37Å; I941-K945 VanDerWaalsContact O-CG 3.3Å; I941-K945 WeakPolarHBondContact O-CG 3.34Å; I941-K945 PolarHBondContact O-N 2.91Å; I941-K945 VanDerWaalsContact O-N 3.15Å; Q942-K945 WeakPolarHBondContact O-CB 3.49Å; Q942-K945 PolarHBondContact O-N 2.76Å; S943-K945 PolarHBondContact O-N 2.68Å; K945-C948 PolarHBondContact O-N 2.84Å; K945-R949 WeakPolarHBondContact O-CB 3.36Å; K945-R949 WeakPolarHBondContact O-CD 3.27Å; K945-R949 VanDerWaalsContact O-CG 3.26Å; K945-R949 WeakPolarHBondContact O-CG 3.47Å; K945-R949 PolarHBondContact O-N 2.91Å
946D81.3Confident73.9Confident56 Ų5667.8 Ų67.830%0.29933%0.333SS..Hα-helixtrans-78.7-31.6-172.9-67-28000112.6Q942 S943 R949 S950Q942-D946 PolarHBondContact NE2-OD1 3.36Å; Q942-D946 VanDerWaalsContact NE2-OD1 3.11Å; Q942-D946 PolarHBondContact NE2-OD2 2.96Å; Q942-D946 PolarHBondContact O-N 3.25Å; S943-D946 PolarHBondContact O-N 3.46Å; D946-R949 VanDerWaalsContact OD1-CD 3.28Å; D946-R949 WeakPolarHBondContact OD1-CD 3.38Å; D946-R949 IonicContact OD1-CZ 2.68Å; D946-R949 IonicContact OD1-NE 3.46Å; D946-R949 IonicContact OD1-NH1 3.02Å; D946-R949 PolarHBondContact OD1-NH1 3.38Å; D946-S950 VanDerWaalsContact O-CB 3.28Å; D946-S950 WeakPolarHBondContact O-CB 3.41Å; D946-S950 PolarHBondContact O-N 2.81Å; D946-S950 PolarHBondContact O-OG 2.88Å
947F85.2Confident75.8Confident25 Ų2563.1 Ų63.111%0.1130%0.302CS..Hα-helixtrans-56.2-51.6161.8170-100000110.8F906 I920 C923 F924 A927 S943 R949 S950 Y951 V953F906-F947 HydrophobicContact CE1-CE2 4.45Å; F906-F947 HydrophobicContact CZ-CE2 4.04Å; F906-F947 HydrophobicContact CZ-CZ 4.2Å; I920-F947 HydrophobicContact CG2-CE1 4.46Å; I920-F947 HydrophobicContact CG2-CZ 4.34Å; I920-F947 WeakPolarHBondContact O-CZ 3.3Å; C923-F947 HydrophobicContact CB-CD2 4.01Å; C923-F947 HydrophobicContact CB-CE1 4.24Å; C923-F947 HydrophobicContact CB-CE2 3.26Å; C923-F947 HydrophobicContact CB-CZ 3.4Å; C923-F947 VanDerWaalsContact CB-CZ 3.4Å; F924-F947 HydrophobicContact CB-CD1 4.16Å; F924-F947 HydrophobicContact CB-CE1 3.85Å; A927-F947 HydrophobicContact CB-CB 4.45Å; S943-F947 WeakPolarHBondContact O-CB 3.4Å; S943-F947 PolarHBondContact O-N 3.12Å; F947-R949 PolarHBondContact O-N 2.94Å; F947-S950 PolarHBondContact O-N 3Å; F947-Y951 AromaticContact CD2-CD2 3.47Å; F947-Y951 HydrophobicContact CD2-CD2 3.47Å; F947-Y951 VanDerWaalsContact CD2-CD2 3.47Å; F947-Y951 AromaticContact CD2-CE2 3.69Å; F947-Y951 HydrophobicContact CD2-CE2 3.69Å; F947-Y951 AromaticContact CE2-CD2 3.3Å; F947-Y951 HydrophobicContact CE2-CD2 3.3Å; F947-Y951 AromaticContact CE2-CE2 3.62Å; F947-Y951 HydrophobicContact CE2-CE2 3.62Å; F947-Y951 HydrophobicContact CE2-CG 4.22Å; F947-Y951 HydrophobicContact CG-CD2 4.35Å; F947-Y951 HydrophobicContact CZ-CD2 4.08Å; F947-Y951 WeakPolarHBondContact O-CD2 3.36Å; F947-Y951 PolarHBondContact O-N 3.26Å; F947-Y951 VanDerWaalsContact O-N 3.09Å; F947-V953 HydrophobicContact CD1-CG2 4.4Å; F947-V953 HydrophobicContact CE1-CG2 3.88Å
948C85.8Confident78Confident6 Ų655.1 Ų55.14%0.04127%0.267CS..Hα-helixtrans-65-36.5-176.5-70.20000113.2E944 K945 R952 V953 A955E944-C948 WeakPolarHBondContact O-CB 3.46Å; E944-C948 PolarHBondContact O-N 3.37Å; E944-C948 VanDerWaalsContact O-N 3.13Å; E944-C948 PolarHBondContact O-SG 3.22Å; K945-C948 PolarHBondContact O-N 2.84Å; C948-R952 CarbonylContact O-C 3.39Å; C948-R952 VanDerWaalsContact O-CA 3.31Å; C948-R952 WeakPolarHBondContact O-CA 3.38Å; C948-R952 PolarHBondContact O-N 3.3Å; C948-V953 HydrophobicContact CB-CG2 4.15Å; C948-V953 WeakPolarHBondContact CB-O 3.37Å; C948-V953 PolarHBondContact O-N 2.95Å; C948-A955 HydrophobicContact CB-CB 3.83Å; C948-A955 WeakPolarHBondContact SG-CB 3.15Å
949R84Confident79.7Confident166 Ų16652.8 Ų52.863%0.62625%0.25SC*.Hα-helixtrans-63.2-50.8170.8-74.1159.6167.1-178.8-9.5111.5K945 D946 F947 Y951 R952K945-R949 WeakPolarHBondContact O-CB 3.36Å; K945-R949 WeakPolarHBondContact O-CD 3.27Å; K945-R949 VanDerWaalsContact O-CG 3.26Å; K945-R949 WeakPolarHBondContact O-CG 3.47Å; K945-R949 PolarHBondContact O-N 2.91Å; D946-R949 VanDerWaalsContact OD1-CD 3.28Å; D946-R949 WeakPolarHBondContact OD1-CD 3.38Å; D946-R949 IonicContact OD1-CZ 2.68Å; D946-R949 IonicContact OD1-NE 3.46Å; D946-R949 IonicContact OD1-NH1 3.02Å; D946-R949 PolarHBondContact OD1-NH1 3.38Å; F947-R949 PolarHBondContact O-N 2.94Å; R949-Y951 PolarHBondContact O-N 3.09Å; R949-R952 PolarHBondContact O-N 3.45Å
950S84.9Confident80.8Confident82 Ų8246.3 Ų46.357%0.57323%0.228SC*.Hα-helixtrans-60.5-43.2-174.3-60.70000112.9D946 F947D946-S950 VanDerWaalsContact O-CB 3.28Å; D946-S950 WeakPolarHBondContact O-CB 3.41Å; D946-S950 PolarHBondContact O-N 2.81Å; D946-S950 PolarHBondContact O-OG 2.88Å; F947-S950 PolarHBondContact O-N 3Å
951Y86.6Confident81.6Confident71 Ų7145.6 Ų45.628%0.27822%0.22SC..THydrogen-bonded Turntrans-96.43.7-179.8-64.3-73.6000114.1Q903 F906 F947 R949Q903-Y951 VanDerWaalsContact CG-O 3.28Å; Q903-Y951 WeakPolarHBondContact CG-O 3.42Å; Q903-Y951 PolarHBondContact NE2-O 2.98Å; Q903-Y951 VanDerWaalsContact NE2-O 3.13Å; F906-Y951 HydrophobicContact CD2-CD1 4.47Å; F906-Y951 AromaticContact CE2-CD1 3.28Å; F906-Y951 HydrophobicContact CE2-CD1 3.28Å; F906-Y951 HydrophobicContact CE2-CD2 4.39Å; F906-Y951 AromaticContact CE2-CE1 3.79Å; F906-Y951 HydrophobicContact CE2-CE1 3.79Å; F906-Y951 AromaticContact CE2-CG 3.62Å; F906-Y951 HydrophobicContact CE2-CG 3.62Å; F906-Y951 AromaticContact CZ-CD1 3.46Å; F906-Y951 HydrophobicContact CZ-CD1 3.46Å; F906-Y951 VanDerWaalsContact CZ-CD1 3.46Å; F906-Y951 AromaticContact CZ-CD2 3.86Å; F906-Y951 HydrophobicContact CZ-CD2 3.86Å; F906-Y951 AromaticContact CZ-CE1 3.65Å; F906-Y951 HydrophobicContact CZ-CE1 3.65Å; F906-Y951 HydrophobicContact CZ-CE2 4.04Å; F906-Y951 AromaticContact CZ-CG 3.55Å; F906-Y951 HydrophobicContact CZ-CG 3.55Å; F906-Y951 AromaticContact CZ-CZ 3.93Å; F947-Y951 AromaticContact CD2-CD2 3.47Å; F947-Y951 HydrophobicContact CD2-CD2 3.47Å; F947-Y951 VanDerWaalsContact CD2-CD2 3.47Å; F947-Y951 AromaticContact CD2-CE2 3.69Å; F947-Y951 HydrophobicContact CD2-CE2 3.69Å; F947-Y951 AromaticContact CE2-CD2 3.3Å; F947-Y951 HydrophobicContact CE2-CD2 3.3Å; F947-Y951 AromaticContact CE2-CE2 3.62Å; F947-Y951 HydrophobicContact CE2-CE2 3.62Å; F947-Y951 HydrophobicContact CE2-CG 4.22Å; F947-Y951 HydrophobicContact CG-CD2 4.35Å; F947-Y951 HydrophobicContact CZ-CD2 4.08Å; F947-Y951 WeakPolarHBondContact O-CD2 3.36Å; F947-Y951 PolarHBondContact O-N 3.26Å; F947-Y951 VanDerWaalsContact O-N 3.09Å; R949-Y951 PolarHBondContact O-N 3.09Å
952R86.9Confident82.4Confident96 Ų9642.8 Ų42.836%0.36220%0.204SC..THydrogen-bonded Turntrans51.161.6-177.2-56.5175.3179.4174.5-2.8111.2I891 Q896 Q903 C948 R949I891-R952 HydrophobicContact CB-CB 4.27Å; I891-R952 WeakPolarHBondContact CB-O 3.46Å; I891-R952 PolarHBondContact N-O 3.22Å; I891-R952 WeakPolarHBondContact O-CB 3.44Å; Q896-R952 VanDerWaalsContact OE1-NH1 3.09Å; Q903-R952 PolarHBondContact NE2-O 3.33Å; C948-R952 CarbonylContact O-C 3.39Å; C948-R952 VanDerWaalsContact O-CA 3.31Å; C948-R952 WeakPolarHBondContact O-CA 3.38Å; C948-R952 PolarHBondContact O-N 3.3Å; R949-R952 PolarHBondContact O-N 3.45Å
953V86.9Confident82.8Confident3 Ų344 Ų442%0.01821%0.21CC..BIsolated β-bridgetrans-125.3152.8176.3-64.70000112P889 Y890 I920 F947 C948 A955 L958P889-V953 CarbonylContact O-C 3.59Å; P889-V953 WeakPolarHBondContact O-CA 3.25Å; Y890-V953 HydrophobicContact CD1-CG1 4.34Å; I920-V953 HydrophobicContact CD1-CG1 4.47Å; I920-V953 HydrophobicContact CG2-CB 4.5Å; I920-V953 HydrophobicContact CG2-CG1 4.07Å; I920-V953 HydrophobicContact CG2-CG2 4.36Å; F947-V953 HydrophobicContact CD1-CG2 4.4Å; F947-V953 HydrophobicContact CE1-CG2 3.88Å; C948-V953 HydrophobicContact CB-CG2 4.15Å; C948-V953 WeakPolarHBondContact CB-O 3.37Å; C948-V953 PolarHBondContact O-N 2.95Å; V953-A955 PolarHBondContact O-N 2.95Å; V953-L958 HydrophobicContact CB-CD1 4.1Å; V953-L958 HydrophobicContact CG2-CD1 3.76Å
954N83.1Confident83.2Confident33 Ų3342.7 Ų42.718%0.17620%0.201CC..  trans-84.299.1-170.2-177-18.4000111.3P889 I891 P956 L957 L958P889-N954 PolarHBondContact O-N 3.26Å; I891-N954 HydrophobicContact CD1-CB 4.5Å; I891-N954 HydrophobicContact CG1-CB 4.27Å; N954-P956 WeakPolarHBondContact OD1-CD 3.29Å; N954-L957 HydrophobicContact CB-CB 3.92Å; N954-L957 HydrophobicContact CB-CD2 4.26Å; N954-L957 VanDerWaalsContact CG-CB 3.43Å; N954-L957 PolarHBondContact O-N 3.3Å; N954-L957 PolarHBondContact OD1-N 3.11Å; N954-L958 WeakPolarHBondContact O-CG 3.36Å; N954-L958 PolarHBondContact O-N 2.91Å
955A81.5Confident83.6Confident12 Ų1242.8 Ų42.810%0.09920%0.201CC..Hα-helixtrans-59.4-49.1-175.300000114.2F924 C948 V953 L957 L958 R959F924-A955 HydrophobicContact CE2-CB 4.48Å; C948-A955 HydrophobicContact CB-CB 3.83Å; C948-A955 WeakPolarHBondContact SG-CB 3.15Å; V953-A955 PolarHBondContact O-N 2.95Å; A955-L957 VanDerWaalsContact C-N 3.34Å; A955-L957 PolarHBondContact O-N 2.86Å; A955-L958 PolarHBondContact O-N 3.03Å; A955-L958 VanDerWaalsContact O-N 3.15Å; A955-R959 PolarHBondContact O-N 3.29Å
956P75.2Confident83.9Confident28 Ų2844 Ų4418%0.18221%0.208CC..Hα-helixtrans-56.4-43.2174.7-29.837.6000114.1P669 N954 L958 R959 T960P669-P956 HydrophobicContact CB-CB 3.5Å; P669-P956 HydrophobicContact CB-CG 4.28Å; P669-P956 HydrophobicContact CG-CB 3.69Å; P669-P956 HydrophobicContact CG-CG 4.26Å; N954-P956 WeakPolarHBondContact OD1-CD 3.29Å; P956-L958 VanDerWaalsContact C-N 3.32Å; P956-L958 PolarHBondContact O-N 2.86Å; P956-R959 WeakPolarHBondContact O-CB 3.34Å; P956-R959 PolarHBondContact O-N 3.46Å; P956-R959 VanDerWaalsContact O-N 3.11Å; P956-T960 PolarHBondContact O-N 3.25Å; P956-T960 VanDerWaalsContact O-N 3.1Å; P956-T960 PolarHBondContact O-OG1 3.33Å
957L78.9Confident84.1Confident14 Ų1444.6 Ų44.67%0.07321%0.209CC..Hα-helixtrans-62.6-39.3176.4173.455.3000111.7F886 I887 P889 N954 A955 R959 T960 I961F886-L957 HydrophobicContact CB-CD1 3.81Å; F886-L957 HydrophobicContact CG-CD1 4.14Å; I887-L957 HydrophobicContact CG1-CD2 3.71Å; P889-L957 HydrophobicContact CB-CD2 4.22Å; P889-L957 HydrophobicContact CB-CG 4.49Å; N954-L957 HydrophobicContact CB-CB 3.92Å; N954-L957 HydrophobicContact CB-CD2 4.26Å; N954-L957 VanDerWaalsContact CG-CB 3.43Å; N954-L957 PolarHBondContact O-N 3.3Å; N954-L957 PolarHBondContact OD1-N 3.11Å; A955-L957 VanDerWaalsContact C-N 3.34Å; A955-L957 PolarHBondContact O-N 2.86Å; L957-R959 VanDerWaalsContact C-N 3.3Å; L957-R959 PolarHBondContact O-N 2.88Å; L957-T960 PolarHBondContact O-N 2.81Å; L957-I961 HydrophobicContact CD1-CD1 4.06Å; L957-I961 HydrophobicContact CD1-CG1 4.36Å; L957-I961 HydrophobicContact CG-CD1 3.94Å; L957-I961 WeakPolarHBondContact O-CD1 3.44Å; L957-I961 VanDerWaalsContact O-CG1 3.31Å; L957-I961 WeakPolarHBondContact O-CG1 3.26Å; L957-I961 PolarHBondContact O-N 2.9Å
958L86.2Confident84.2Confident0 Ų043.4 Ų43.40%020%0.204CC..Hα-helixtrans-65.2-29.4174.1-73.8165.6000113.1P889 I920 F924 V953 N954 A955 P956 I961 F962P889-L958 HydrophobicContact CB-CD1 4.49Å; P889-L958 HydrophobicContact CB-CD2 4.09Å; P889-L958 HydrophobicContact CB-CG 4.04Å; P889-L958 HydrophobicContact CG-CD2 4.01Å; P889-L958 HydrophobicContact CG-CG 4.49Å; I920-L958 HydrophobicContact CG2-CD1 4.49Å; I920-L958 HydrophobicContact CG2-CD2 4.44Å; F924-L958 HydrophobicContact CB-CD1 4.18Å; F924-L958 HydrophobicContact CD1-CB 3.84Å; F924-L958 HydrophobicContact CD2-CB 3.64Å; F924-L958 HydrophobicContact CD2-CD1 3.72Å; F924-L958 HydrophobicContact CD2-CG 4.28Å; F924-L958 HydrophobicContact CE1-CB 3.77Å; F924-L958 WeakPolarHBondContact CE1-O 3.36Å; F924-L958 HydrophobicContact CE2-CB 3.53Å; F924-L958 HydrophobicContact CE2-CD1 4.32Å; F924-L958 HydrophobicContact CG-CB 3.79Å; F924-L958 HydrophobicContact CG-CD1 4Å; F924-L958 HydrophobicContact CG-CG 4.34Å; F924-L958 HydrophobicContact CZ-CB 3.62Å; V953-L958 HydrophobicContact CB-CD1 4.1Å; V953-L958 HydrophobicContact CG2-CD1 3.76Å; N954-L958 WeakPolarHBondContact O-CG 3.36Å; N954-L958 PolarHBondContact O-N 2.91Å; A955-L958 PolarHBondContact O-N 3.03Å; A955-L958 VanDerWaalsContact O-N 3.15Å; P956-L958 VanDerWaalsContact C-N 3.32Å; P956-L958 PolarHBondContact O-N 2.86Å; L958-I961 HydrophobicContact CD2-CD1 4.19Å; L958-F962 WeakPolarHBondContact O-CB 3.4Å; L958-F962 PolarHBondContact O-N 3.44Å
959R82.8Confident84.4Confident56 Ų5644.5 Ų44.521%0.21121%0.208CC..Hα-helixtrans-67-46169.6-61.7175.2-164143.43.7111.5E671 F924 E944 A955 P956 L957 I961 F962 E963E671-R959 IonicContact OE1-NH1 3.27Å; F924-R959 HydrophobicContact CZ-CG 3.74Å; E944-R959 IonicContact OE1-CZ 3.22Å; E944-R959 IonicContact OE1-NE 2.81Å; E944-R959 PolarHBondContact OE1-NE 2.97Å; E944-R959 IonicContact OE1-NH2 3.78Å; E944-R959 PolarHBondContact OE1-NH2 2.93Å; E944-R959 IonicContact OE2-NE 2.74Å; A955-R959 PolarHBondContact O-N 3.29Å; P956-R959 WeakPolarHBondContact O-CB 3.34Å; P956-R959 PolarHBondContact O-N 3.46Å; P956-R959 VanDerWaalsContact O-N 3.11Å; L957-R959 VanDerWaalsContact C-N 3.3Å; L957-R959 PolarHBondContact O-N 2.88Å; R959-I961 VanDerWaalsContact C-N 3.29Å; R959-I961 PolarHBondContact O-N 3.34Å; R959-F962 WeakPolarHBondContact O-CA 3.47Å; R959-F962 WeakPolarHBondContact O-CB 3.48Å; R959-F962 PolarHBondContact O-N 3.09Å; R959-E963 WeakPolarHBondContact O-CG 3.26Å; R959-E963 PolarHBondContact O-N 2.89Å
960T77.3Confident84.5Confident33 Ų3338.7 Ų38.720%0.20219%0.191CC..Hα-helixtrans-63.4-35176.1-50.10000112.3F886 P956 L957 A964F886-T960 HydrophobicContact CE1-CG2 3.98Å; F886-T960 HydrophobicContact CE2-CG2 4.39Å; F886-T960 HydrophobicContact CZ-CG2 3.73Å; P956-T960 PolarHBondContact O-N 3.25Å; P956-T960 VanDerWaalsContact O-N 3.1Å; P956-T960 PolarHBondContact O-OG1 3.33Å; L957-T960 PolarHBondContact O-N 2.81Å; T960-A964 VanDerWaalsContact O-CB 3.25Å; T960-A964 WeakPolarHBondContact O-CB 3.38Å; T960-A964 PolarHBondContact O-N 3.11Å
961I84.7Confident84.5Confident0 Ų035.8 Ų35.80%017%0.169CC..Hα-helixtrans-64.7-42.1171.2-70156.1000111A882 L883 F886 Y921 L957 L958 R959 T965A882-I961 HydrophobicContact CB-CG2 4.1Å; L883-I961 HydrophobicContact CD2-CD1 4Å; L883-I961 HydrophobicContact CD2-CG2 3.93Å; L883-I961 HydrophobicContact CG-CG2 3.95Å; F886-I961 HydrophobicContact CD2-CG1 3.61Å; F886-I961 HydrophobicContact CE2-CG1 4.16Å; F886-I961 HydrophobicContact CG-CG1 4.45Å; Y921-I961 HydrophobicContact CD2-CG2 3.8Å; Y921-I961 HydrophobicContact CE2-CG2 3.87Å; L957-I961 HydrophobicContact CD1-CD1 4.06Å; L957-I961 HydrophobicContact CD1-CG1 4.36Å; L957-I961 HydrophobicContact CG-CD1 3.94Å; L957-I961 WeakPolarHBondContact O-CD1 3.44Å; L957-I961 VanDerWaalsContact O-CG1 3.31Å; L957-I961 WeakPolarHBondContact O-CG1 3.26Å; L957-I961 PolarHBondContact O-N 2.9Å; L958-I961 HydrophobicContact CD2-CD1 4.19Å; R959-I961 VanDerWaalsContact C-N 3.29Å; R959-I961 PolarHBondContact O-N 3.34Å; I961-T965 VanDerWaalsContact O-CB 3.32Å; I961-T965 WeakPolarHBondContact O-CB 3.38Å; I961-T965 PolarHBondContact O-N 2.88Å; I961-T965 PolarHBondContact O-OG1 3.47Å
962F88.1Confident84.3Confident47 Ų4732.4 Ų32.421%0.20616%0.156CC..Hα-helixtrans-62.3-47.5175.9171.2-97.9000112.3Y921 F924 V925 H929 L958 R959 T965 H966Y921-F962 HydrophobicContact CE2-CB 3.98Å; F924-F962 HydrophobicContact CE1-CB 4.42Å; V925-F962 HydrophobicContact CG1-CE2 4.3Å; V925-F962 HydrophobicContact CG2-CD2 3.72Å; V925-F962 HydrophobicContact CG2-CE2 4.29Å; H929-F962 AromaticContact CE1-CE2 3.61Å; H929-F962 AromaticContact CE1-CZ 3.5Å; H929-F962 AromaticContact NE2-CZ 3.75Å; L958-F962 WeakPolarHBondContact O-CB 3.4Å; L958-F962 PolarHBondContact O-N 3.44Å; R959-F962 WeakPolarHBondContact O-CA 3.47Å; R959-F962 WeakPolarHBondContact O-CB 3.48Å; R959-F962 PolarHBondContact O-N 3.09Å; F962-T965 PolarHBondContact O-N 3.1Å; F962-H966 PolarHBondContact O-N 2.92Å
963E82.3Confident84.2Confident85 Ų8531.3 Ų31.340%0.39716%0.155SC..Hα-helixtrans-60.2-46.7176.6-70.7153-16900111.6R959 T965 H966 Q967R959-E963 WeakPolarHBondContact O-CG 3.26Å; R959-E963 PolarHBondContact O-N 2.89Å; E963-T965 PolarHBondContact O-N 3.26Å; E963-H966 PolarHBondContact O-N 3.04Å; E963-Q967 WeakPolarHBondContact O-CG 3.46Å; E963-Q967 PolarHBondContact O-N 3.07Å
964A82.9Confident83.7Confident0 Ų032.6 Ų32.60%016%0.162CC..Hα-helixtrans-62.2-41.1175.200000112.6F441 A882 F886 T960 Q967 L968F441-A964 HydrophobicContact CD1-CB 4.45Å; F441-A964 HydrophobicContact CD2-CB 3.66Å; F441-A964 HydrophobicContact CE1-CB 4.23Å; F441-A964 HydrophobicContact CE2-CB 3.39Å; F441-A964 HydrophobicContact CG-CB 4.19Å; F441-A964 HydrophobicContact CZ-CB 3.7Å; A882-A964 HydrophobicContact CB-CB 4.04Å; F886-A964 HydrophobicContact CE2-CB 3.86Å; F886-A964 HydrophobicContact CZ-CB 4.16Å; T960-A964 VanDerWaalsContact O-CB 3.25Å; T960-A964 WeakPolarHBondContact O-CB 3.38Å; T960-A964 PolarHBondContact O-N 3.11Å; A964-Q967 PolarHBondContact O-N 3.03Å; A964-L968 WeakPolarHBondContact O-CG 3.38Å; A964-L968 PolarHBondContact O-N 3.26Å
965T89.9Confident83.4Confident2 Ų231.8 Ų31.81%0.01216%0.157CC..Hα-helixtrans-63.7-43.4177-59.10000111.1C878 S879 A882 Y921 I961 F962 E963 L968 K969C878-T965 HydrophobicContact CB-CG2 4.34Å; S879-T965 WeakPolarHBondContact OG-CG2 3.49Å; A882-T965 WeakPolarHBondContact CB-OG1 3.46Å; Y921-T965 HydrophobicContact CE1-CG2 4.34Å; Y921-T965 WeakPolarHBondContact OH-CB 3.39Å; Y921-T965 WeakPolarHBondContact OH-CG2 3.49Å; Y921-T965 PolarHBondContact OH-OG1 2.85Å; I961-T965 VanDerWaalsContact O-CB 3.32Å; I961-T965 WeakPolarHBondContact O-CB 3.38Å; I961-T965 PolarHBondContact O-N 2.88Å; I961-T965 PolarHBondContact O-OG1 3.47Å; F962-T965 PolarHBondContact O-N 3.1Å; E963-T965 PolarHBondContact O-N 3.26Å; T965-L968 PolarHBondContact O-N 2.91Å; T965-K969 WeakPolarHBondContact O-CG 3.4Å; T965-K969 PolarHBondContact O-N 2.98Å
966H88Confident83Confident109 Ų10933.9 Ų33.951%0.50518%0.179SC..Hα-helixtrans-63.4-47.4178.1-173.460.8000110.9F962 E963 L968 K969 T970F962-H966 PolarHBondContact O-N 2.92Å; E963-H966 PolarHBondContact O-N 3.04Å; H966-L968 PolarHBondContact O-N 2.88Å; H966-K969 WeakPolarHBondContact O-CA 3.4Å; H966-K969 WeakPolarHBondContact O-CB 3.26Å; H966-K969 PolarHBondContact O-N 3.39Å; H966-T970 PolarHBondContact O-N 2.89Å; H966-T970 PolarHBondContact O-OG1 2.98Å; H966-T970 VanDerWaalsContact O-OG1 3.11Å
967Q84.3Confident83Confident68 Ų6833.6 Ų33.632%0.31818%0.175SC..Hα-helixtrans-66-33.6179.9-70-17948.200113.4F441 E963 A964 K969 T970 L971F441-Q967 VanDerWaalsContact CA-OE1 3.31Å; F441-Q967 HydrophobicContact CD1-CB 4.12Å; F441-Q967 HydrophobicContact CE1-CB 4.39Å; F441-Q967 PolarHBondContact O-NE2 3.46Å; E963-Q967 WeakPolarHBondContact O-CG 3.46Å; E963-Q967 PolarHBondContact O-N 3.07Å; A964-Q967 PolarHBondContact O-N 3.03Å; Q967-K969 VanDerWaalsContact C-N 3.3Å; Q967-K969 PolarHBondContact O-N 2.98Å; Q967-T970 PolarHBondContact O-N 3.04Å; Q967-L971 VanDerWaalsContact O-CG 3.31Å; Q967-L971 WeakPolarHBondContact O-CG 3.23Å; Q967-L971 PolarHBondContact O-N 3.49Å
968L88.5Confident82.7Confident1 Ų137 Ų371%0.00519%0.193CC..Hα-helixtrans-61.4-38.2170.9-75172.6000111.9L855 P856 I857 C878 A881 A964 T965 H966 L972L855-L968 HydrophobicContact CD2-CD2 4.4Å; P856-L968 HydrophobicContact CG-CD2 4.33Å; I857-L968 HydrophobicContact CG2-CD2 4.4Å; C878-L968 HydrophobicContact CB-CB 4.07Å; A881-L968 HydrophobicContact CB-CD1 3.86Å; A964-L968 WeakPolarHBondContact O-CG 3.38Å; A964-L968 PolarHBondContact O-N 3.26Å; T965-L968 PolarHBondContact O-N 2.91Å; H966-L968 PolarHBondContact O-N 2.88Å; L968-L972 WeakPolarHBondContact O-CG 3.43Å; L968-L972 PolarHBondContact O-N 2.76Å
969K89.9Confident82.2Confident28 Ų2840 Ų4012%0.12221%0.213CC..Hα-helixtrans-65.7-46.9172.3-63.5177.5177.9-162.90111.7C878 T965 H966 Q967 L971 L972 Q973 L982C878-K969 HydrophobicContact CB-CG 4.28Å; T965-K969 WeakPolarHBondContact O-CG 3.4Å; T965-K969 PolarHBondContact O-N 2.98Å; H966-K969 WeakPolarHBondContact O-CA 3.4Å; H966-K969 WeakPolarHBondContact O-CB 3.26Å; H966-K969 PolarHBondContact O-N 3.39Å; Q967-K969 VanDerWaalsContact C-N 3.3Å; Q967-K969 PolarHBondContact O-N 2.98Å; K969-L971 VanDerWaalsContact C-N 3.28Å; K969-L971 PolarHBondContact O-N 3.48Å; K969-L972 PolarHBondContact O-N 2.96Å; K969-L972 VanDerWaalsContact O-N 3.09Å; K969-Q973 WeakPolarHBondContact O-CG 3.09Å; K969-Q973 PolarHBondContact O-N 3.45Å; K969-L982 HydrophobicContact CB-CB 4.45Å; K969-L982 HydrophobicContact CB-CD1 4.4Å; K969-L982 HydrophobicContact CD-CB 4.34Å; K969-L982 WeakPolarHBondContact CD-O 3.33Å; K969-L982 VanDerWaalsContact CE-O 3.31Å; K969-L982 WeakPolarHBondContact CE-O 3.33Å; K969-L982 HydrophobicContact CG-CB 4.29Å; K969-L982 HydrophobicContact CG-CD2 4.39Å; K969-L982 PolarHBondContact NZ-O 3.27Å
970T86Confident81.7Confident45 Ų4542.8 Ų42.828%0.27623%0.228SC..Hα-helixtrans-57.8-40.8178.5-47.40000111.8H966 Q967 L972 Q973 N974H966-T970 PolarHBondContact O-N 2.89Å; H966-T970 PolarHBondContact O-OG1 2.98Å; H966-T970 VanDerWaalsContact O-OG1 3.11Å; Q967-T970 PolarHBondContact O-N 3.04Å; T970-L972 PolarHBondContact O-N 3.35Å; T970-Q973 PolarHBondContact O-N 2.96Å; T970-N974 VanDerWaalsContact O-CG 3.22Å; T970-N974 PolarHBondContact O-N 3.36Å; T970-N974 PolarHBondContact O-OD1 2.97Å; T970-N974 VanDerWaalsContact O-OD1 3.12Å
971L83.5Confident81.4Confident21 Ų2142.9 Ų42.911%0.1123%0.227CC..Hα-helixtrans-63.4-39.4176.2-67.6175.7000112.6L855 Q967 K969 N974 F975L855-L971 HydrophobicContact CD2-CB 4.04Å; L855-L971 HydrophobicContact CD2-CD1 4.36Å; Q967-L971 VanDerWaalsContact O-CG 3.31Å; Q967-L971 WeakPolarHBondContact O-CG 3.23Å; Q967-L971 PolarHBondContact O-N 3.49Å; K969-L971 VanDerWaalsContact C-N 3.28Å; K969-L971 PolarHBondContact O-N 3.48Å; L971-N974 PolarHBondContact O-N 2.9Å; L971-F975 WeakPolarHBondContact O-CD2 3.37Å; L971-F975 PolarHBondContact O-N 3.28Å; L971-F975 VanDerWaalsContact O-N 3.13Å
972L83.4Confident81.1Confident0 Ų043.1 Ų43.10%023%0.228CC..Hα-helixtrans-67.9-40.3174-65.4165.6000111.7L855 I865 C878 L968 K969 T970 N974 F975 G976 F977 L982L855-L972 HydrophobicContact CD2-CD2 4.44Å; I865-L972 HydrophobicContact CG2-CD1 3.69Å; C878-L972 VanDerWaalsContact SG-CD1 3.6Å; L968-L972 WeakPolarHBondContact O-CG 3.43Å; L968-L972 PolarHBondContact O-N 2.76Å; K969-L972 PolarHBondContact O-N 2.96Å; K969-L972 VanDerWaalsContact O-N 3.09Å; T970-L972 PolarHBondContact O-N 3.35Å; L972-N974 VanDerWaalsContact C-N 3.3Å; L972-N974 PolarHBondContact O-N 3.3Å; L972-F975 CarbonylContact O-C 3.48Å; L972-F975 VanDerWaalsContact O-C 3.25Å; L972-F975 WeakPolarHBondContact O-CA 3.42Å; L972-F975 WeakPolarHBondContact O-CB 3.23Å; L972-F975 PolarHBondContact O-N 2.86Å; L972-G976 PolarHBondContact O-N 3.12Å; L972-F977 HydrophobicContact CB-CB 4.17Å; L972-F977 HydrophobicContact CB-CD2 4.04Å; L972-F977 HydrophobicContact CB-CG 4.38Å; L972-F977 HydrophobicContact CD2-CD2 4Å; L972-F977 HydrophobicContact CD2-CE2 4.13Å; L972-F977 WeakPolarHBondContact O-CB 3.3Å; L972-F977 WeakPolarHBondContact O-CD2 3.43Å; L972-F977 PolarHBondContact O-N 3.16Å; L972-L982 HydrophobicContact CB-CD1 3.84Å; L972-L982 HydrophobicContact CD1-CD1 4.46Å; L972-L982 HydrophobicContact CD1-CD2 3.88Å
973Q84.1Confident80.6Confident72 Ų7246.4 Ų46.434%0.33624%0.244SC..Hα-helixtrans-61.6-39.1175.3-68.8172-58.600111.7K969 T970 F975 G976 L982K969-Q973 WeakPolarHBondContact O-CG 3.09Å; K969-Q973 PolarHBondContact O-N 3.45Å; T970-Q973 PolarHBondContact O-N 2.96Å; Q973-F975 VanDerWaalsContact C-N 3.29Å; Q973-F975 PolarHBondContact O-N 2.74Å; Q973-G976 PolarHBondContact O-N 2.86Å; Q973-L982 HydrophobicContact CG-CD1 3.67Å
974N77.6Confident80.2Confident31 Ų3145.2 Ų45.217%0.16624%0.239CC..Hα-helixtrans-63.1-37.2172.9-66.55.1000111L27 T970 L971 L972 G976L27-N974 WeakPolarHBondContact CD1-O 3.37Å; L27-N974 VanDerWaalsContact CD2-O 3.31Å; L27-N974 WeakPolarHBondContact CD2-O 3.17Å; L27-N974 WeakPolarHBondContact CG-O 3.45Å; T970-N974 VanDerWaalsContact O-CG 3.22Å; T970-N974 PolarHBondContact O-N 3.36Å; T970-N974 PolarHBondContact O-OD1 2.97Å; T970-N974 VanDerWaalsContact O-OD1 3.12Å; L971-N974 PolarHBondContact O-N 2.9Å; L972-N974 VanDerWaalsContact C-N 3.3Å; L972-N974 PolarHBondContact O-N 3.3Å; N974-G976 PolarHBondContact O-N 3.03Å; N974-G976 VanDerWaalsContact O-N 3.13Å
975F76.5Confident79.7Confident16 Ų1646.7 Ų46.77%0.0725%0.246CC..THydrogen-bonded Turntrans-75.524.4168.8-72.9-61.3000114.6L27 I851 H854 L971 L972 Q973 F977 L1136L27-F975 HydrophobicContact CD2-CD1 3.45Å; L27-F975 VanDerWaalsContact CD2-CD1 3.45Å; L27-F975 HydrophobicContact CD2-CE1 3.6Å; L27-F975 HydrophobicContact CD2-CG 4.12Å; L27-F975 HydrophobicContact CD2-CZ 4.39Å; I851-F975 HydrophobicContact CB-CD2 4.47Å; I851-F975 HydrophobicContact CB-CE2 4.41Å; I851-F975 HydrophobicContact CG1-CD1 4.14Å; I851-F975 HydrophobicContact CG1-CD2 4.4Å; I851-F975 HydrophobicContact CG1-CE1 4.38Å; I851-F975 HydrophobicContact CG1-CG 4.16Å; I851-F975 HydrophobicContact CG2-CD2 3.91Å; I851-F975 HydrophobicContact CG2-CE2 4.08Å; I851-F975 HydrophobicContact CG2-CG 4.44Å; H854-F975 HydrophobicContact CB-CE2 3.59Å; H854-F975 HydrophobicContact CB-CZ 3.54Å; H854-F975 AromaticContact CD2-CZ 3.99Å; H854-F975 AromaticContact CG-CZ 3.54Å; H854-F975 AromaticContact ND1-CZ 3.78Å; L971-F975 WeakPolarHBondContact O-CD2 3.37Å; L971-F975 PolarHBondContact O-N 3.28Å; L971-F975 VanDerWaalsContact O-N 3.13Å; L972-F975 CarbonylContact O-C 3.48Å; L972-F975 VanDerWaalsContact O-C 3.25Å; L972-F975 WeakPolarHBondContact O-CA 3.42Å; L972-F975 WeakPolarHBondContact O-CB 3.23Å; L972-F975 PolarHBondContact O-N 2.86Å; Q973-F975 VanDerWaalsContact C-N 3.29Å; Q973-F975 PolarHBondContact O-N 2.74Å; F975-F977 VanDerWaalsContact C-N 3.26Å; F975-F977 HydrophobicContact CB-CD2 4.16Å; F975-F977 HydrophobicContact CB-CE2 4.32Å; F975-F977 PolarHBondContact O-N 2.75Å; F975-L1136 HydrophobicContact CB-CD2 4.44Å; F975-L1136 HydrophobicContact CD1-CD2 4.27Å
976G72.2Confident78.6Confident55 Ų5551.9 Ų51.957%0.56727%0.266SS*.THydrogen-bonded Turntrans73.74.8172.700000115.8L972 Q973 N974 L978L972-G976 PolarHBondContact O-N 3.12Å; Q973-G976 PolarHBondContact O-N 2.86Å; N974-G976 PolarHBondContact O-N 3.03Å; N974-G976 VanDerWaalsContact O-N 3.13Å; G976-L978 PolarHBondContact O-N 3.5Å
977F76.1Confident77.5Confident23 Ų2347.1 Ų47.110%0.10124%0.244CC..  trans-71.6121.8174.4-71.5-84000110.7I851 V866 T869 L972 F975 L982I851-F977 HydrophobicContact CD1-CE2 4.28Å; V866-F977 HydrophobicContact CG1-CZ 3.97Å; V866-F977 HydrophobicContact CG2-CZ 4.48Å; T869-F977 HydrophobicContact CG2-CB 3.96Å; T869-F977 HydrophobicContact CG2-CD1 3.51Å; T869-F977 HydrophobicContact CG2-CE1 4.28Å; T869-F977 HydrophobicContact CG2-CG 3.93Å; L972-F977 HydrophobicContact CB-CB 4.17Å; L972-F977 HydrophobicContact CB-CD2 4.04Å; L972-F977 HydrophobicContact CB-CG 4.38Å; L972-F977 HydrophobicContact CD2-CD2 4Å; L972-F977 HydrophobicContact CD2-CE2 4.13Å; L972-F977 WeakPolarHBondContact O-CB 3.3Å; L972-F977 WeakPolarHBondContact O-CD2 3.43Å; L972-F977 PolarHBondContact O-N 3.16Å; F975-F977 VanDerWaalsContact C-N 3.26Å; F975-F977 HydrophobicContact CB-CD2 4.16Å; F975-F977 HydrophobicContact CB-CE2 4.32Å; F975-F977 PolarHBondContact O-N 2.75Å; F977-L982 HydrophobicContact CB-CD1 4.35Å
978L73.2Confident76.3Confident84 Ų8444.5 Ų44.544%0.4423%0.233SC..  trans-54.6132.7-175.8-67.3175.6000112.4G976 E980 L981 T1153G976-L978 PolarHBondContact O-N 3.5Å; L978-E980 PolarHBondContact O-N 2.98Å; L978-L981 HydrophobicContact CB-CD1 4.17Å; L978-L981 HydrophobicContact CB-CG 4.24Å; L978-L981 WeakPolarHBondContact O-CB 3.42Å; L978-L981 PolarHBondContact O-N 2.7Å; L978-L981 VanDerWaalsContact O-N 3.08Å; L978-T1153 HydrophobicContact CD1-CG2 4.31Å
979P74.9Confident74.7Confident65 Ų6549.3 Ų49.342%0.42226%0.263SS..G310 helixtrans-51.4-31.1177.7-28.635.5000114.7L981 L982 Q983P979-L981 VanDerWaalsContact C-N 3.28Å; P979-L981 PolarHBondContact O-N 3.48Å; P979-L982 CarbonylContact O-C 3.56Å; P979-L982 PolarHBondContact O-N 3.46Å; P979-Q983 PolarHBondContact O-N 3.1Å; P979-Q983 VanDerWaalsContact O-N 3.14Å
980E72.5Confident73.1Confident113 Ų11352 Ų5253%0.52827%0.272SS..G310 helixtrans-63.6-30.8-178.4-68.262.9-139.300112.8L978 L982 K1001L978-E980 PolarHBondContact O-N 2.98Å; E980-L982 VanDerWaalsContact C-N 3.28Å; E980-K1001 PolarHBondContact O-NZ 2.73Å
981L71.6Confident71.3Confident35 Ų3551.9 Ų51.918%0.18327%0.269CS..G310 helixtrans-78.2-14.1176.6-57.4173.7000112.6T869 S872 L978 P979T869-L981 HydrophobicContact CG2-CB 3.89Å; T869-L981 HydrophobicContact CG2-CD1 4.27Å; S872-L981 WeakPolarHBondContact OG-CD2 3.31Å; L978-L981 HydrophobicContact CB-CD1 4.17Å; L978-L981 HydrophobicContact CB-CG 4.24Å; L978-L981 WeakPolarHBondContact O-CB 3.42Å; L978-L981 PolarHBondContact O-N 2.7Å; L978-L981 VanDerWaalsContact O-N 3.08Å; P979-L981 VanDerWaalsContact C-N 3.28Å; P979-L981 PolarHBondContact O-N 3.48Å
982L78.3Confident69.3Low6 Ų654.1 Ų54.13%0.03130%0.298CS..G310 helixtrans-115.17.4-176.8-62.3168.8000112.1T869 K969 L972 Q973 F977 P979 E980T869-L982 HydrophobicContact CG2-CD2 3.82Å; T869-L982 HydrophobicContact CG2-CG 4.1Å; K969-L982 HydrophobicContact CB-CB 4.45Å; K969-L982 HydrophobicContact CB-CD1 4.4Å; K969-L982 HydrophobicContact CD-CB 4.34Å; K969-L982 WeakPolarHBondContact CD-O 3.33Å; K969-L982 VanDerWaalsContact CE-O 3.31Å; K969-L982 WeakPolarHBondContact CE-O 3.33Å; K969-L982 HydrophobicContact CG-CB 4.29Å; K969-L982 HydrophobicContact CG-CD2 4.39Å; K969-L982 PolarHBondContact NZ-O 3.27Å; L972-L982 HydrophobicContact CB-CD1 3.84Å; L972-L982 HydrophobicContact CD1-CD1 4.46Å; L972-L982 HydrophobicContact CD1-CD2 3.88Å; Q973-L982 HydrophobicContact CG-CD1 3.67Å; F977-L982 HydrophobicContact CB-CD1 4.35Å; P979-L982 CarbonylContact O-C 3.56Å; P979-L982 PolarHBondContact O-N 3.46Å; E980-L982 VanDerWaalsContact C-N 3.28Å
983Q76.6Confident67.1Low116 Ų11656.3 Ų56.354%0.54231%0.309SS..SBendtrans-64.3146.4171.9-162.6177.331.500110.8D875 P979 H985D875-Q983 WeakPolarHBondContact CB-O 2.95Å; P979-Q983 PolarHBondContact O-N 3.1Å; P979-Q983 VanDerWaalsContact O-N 3.14Å; Q983-H985 PolarHBondContact O-N 3.13Å
984M73.8Confident64.9Low59 Ų5960.3 Ų60.329%0.29133%0.331SS..PPolyproline II helixtrans-75.9118.1-172.2-166.4-177.986.600113D875 V925 R986D875-M984 VanDerWaalsContact OD2-CA 3.3Å; D875-M984 WeakPolarHBondContact OD2-CA 3.4Å; V925-M984 HydrophobicContact CG1-CE 4.43Å; V925-M984 HydrophobicContact CG1-SD 3.98Å; M984-R986 PolarHBondContact O-N 2.68Å
985H72.1Confident62.9Low32 Ų3262.1 Ų62.115%0.14834%0.339CS..PPolyproline II helixtrans-70.2124.1171.5-77.787.2000111.2S872 D875 I876 Q922 Q983 I987S872-H985 PolarHBondContact O-CE1 3.14Å; D875-H985 IonicContact OD1-CE1 2.71Å; D875-H985 IonicContact OD1-CG 3.64Å; D875-H985 IonicContact OD1-ND1 3.77Å; D875-H985 PolarHBondContact OD1-ND1 3.15Å; D875-H985 PolarHBondContact OD2-N 3.11Å; D875-H985 IonicContact OD2-ND1 3.87Å; I876-H985 HydrophobicContact CD1-CB 3.97Å; I876-H985 HydrophobicContact CG1-CB 4.32Å; Q922-H985 VanDerWaalsContact CD-O 3.25Å; Q922-H985 PolarHBondContact NE2-O 3.48Å; Q922-H985 PolarHBondContact OE1-O 3.18Å; Q983-H985 PolarHBondContact O-N 3.13Å; H985-I987 HydrophobicContact CB-CG1 4.24Å; H985-I987 PolarHBondContact O-N 2.92Å
986R68.8Low60.7Low110 Ų11067.4 Ų67.442%0.41537%0.372SS..  trans-80.297.6171.6-64.4-176.1-174.5-167.4-0.5109.3M984 E995 P1004M984-R986 PolarHBondContact O-N 2.68Å; R986-E995 IonicContact CZ-OE2 3.06Å; R986-E995 IonicContact NH1-OE1 3.48Å; R986-E995 IonicContact NH1-OE2 3.31Å; R986-E995 PolarHBondContact NH1-OE2 2.89Å; R986-P1004 WeakPolarHBondContact O-CG 3.2Å
987I64.1Low58.9Low9 Ų969.6 Ų69.65%0.04638%0.375CS..  trans-95.2-25.5179.8-61.2170.9000111.9I876 L918 H985 T989 L1008I876-I987 HydrophobicContact CD1-CD1 3.7Å; I876-I987 HydrophobicContact CG1-CD1 3.85Å; L918-I987 HydrophobicContact CD2-CD1 3.55Å; L918-I987 HydrophobicContact CG-CD1 4.32Å; H985-I987 HydrophobicContact CB-CG1 4.24Å; H985-I987 PolarHBondContact O-N 2.92Å; I987-T989 PolarHBondContact O-N 3.33Å; I987-L1008 HydrophobicContact CD1-CD2 4.21Å; I987-L1008 HydrophobicContact CD1-CG 4.35Å; I987-L1008 HydrophobicContact CG2-CD1 3.52Å; I987-L1008 HydrophobicContact CG2-CD2 3.99Å; I987-L1008 HydrophobicContact CG2-CG 3.7Å
988C59.8Low56.8Low14 Ų1476.6 Ų76.610%0.09541%0.412CS..  trans-57.8103.3-168-175.20000114.1E919 C923 R990 L991E919-C988 HydrophobicContact CG-CB 4.22Å; C923-C988 PolarHBondContact SG-SG 3.33Å; C988-R990 VanDerWaalsContact C-N 3.27Å; C988-R990 PolarHBondContact O-N 2.96Å; C988-L991 HydrophobicContact CB-CD1 4.08Å; C988-L991 HydrophobicContact CB-CG 4.42Å
989T54.1Low54.8Low102 Ų10280.1 Ų80.163%0.62643%0.431SS*.G310 helixtrans-68.5-29.3179.861.20000112E919 I987 L991E919-T989 PolarHBondContact OE1-N 3.03Å; E919-T989 PolarHBondContact OE1-OG1 2.84Å; I987-T989 PolarHBondContact O-N 3.33Å; T989-L991 VanDerWaalsContact C-N 3.3Å; T989-L991 PolarHBondContact O-N 2.87Å
990R55.6Low53.1Low85 Ų8581 Ų8132%0.32145%0.452SS..G310 helixtrans-73.7-11.2-174.3-68.1177.2161-148.5-19.1115.1S902 A905 F906 E919 C988S902-R990 PolarHBondContact O-NH1 3.28Å; A905-R990 PolarHBondContact O-NH2 3.01Å; F906-R990 VanDerWaalsContact CD2-NH1 3.3Å; F906-R990 VanDerWaalsContact CE1-NH1 3.27Å; E919-R990 VanDerWaalsContact OE2-CD 3.29Å; E919-R990 WeakPolarHBondContact OE2-CD 3.42Å; E919-R990 IonicContact OE2-NE 2.62Å; C988-R990 VanDerWaalsContact C-N 3.27Å; C988-R990 PolarHBondContact O-N 2.96Å
991L49.6Very low51.7Low42 Ų4281 Ų8122%0.2245%0.45CS..G310 helixtrans-91.6-3.2-179.4-70.9172.8000114A926 I932 C988 T989 L993A926-L991 HydrophobicContact CB-CD1 4.13Å; I932-L991 HydrophobicContact CD1-CD1 4.4Å; I932-L991 HydrophobicContact CD1-CD2 3.65Å; I932-L991 HydrophobicContact CG1-CD1 4.08Å; I932-L991 HydrophobicContact CG1-CD2 3.82Å; I932-L991 HydrophobicContact CG2-CD2 4Å; C988-L991 HydrophobicContact CB-CD1 4.08Å; C988-L991 HydrophobicContact CB-CG 4.42Å; T989-L991 VanDerWaalsContact C-N 3.3Å; T989-L991 PolarHBondContact O-N 2.87Å; L991-L993 HydrophobicContact CB-CD1 4.26Å; L991-L993 HydrophobicContact CB-CG 4.35Å; L991-L993 PolarHBondContact O-N 3.22Å; L991-L993 VanDerWaalsContact O-N 3.09Å
992G40Very low50.7Low68 Ų6882.1 Ų82.170%0.70145%0.452SS*.  trans70.6-5.5-174.600000114.6I994G992-I994 VanDerWaalsContact C-N 3.33Å; G992-I994 PolarHBondContact O-N 3.07Å
993L37.4Very low49.9Very low45 Ų4585.1 Ų85.124%0.23647%0.472CS..  trans-8073.9-179.6-65.5171.2000111.5L991 E995L991-L993 HydrophobicContact CB-CD1 4.26Å; L991-L993 HydrophobicContact CB-CG 4.35Å; L991-L993 PolarHBondContact O-N 3.22Å; L991-L993 VanDerWaalsContact O-N 3.09Å; L993-E995 HydrophobicContact CB-CG 4.42Å; L993-E995 HydrophobicContact CD2-CG 4.06Å; L993-E995 PolarHBondContact O-N 3.4Å; L993-E995 VanDerWaalsContact O-N 3.08Å
994I37.5Very low49.3Very low157 Ų15782.3 Ų82.381%0.80546%0.464SS*.  trans-79.268.3153.4-51.4-179.6000107.2G992 T996G992-I994 VanDerWaalsContact C-N 3.33Å; G992-I994 PolarHBondContact O-N 3.07Å; I994-T996 PolarHBondContact O-N 3.09Å
995E36.3Very low49.1Very low69 Ų6983 Ų8332%0.32247%0.468SS..  trans-75.5104175.1-85178131.400110.1R986 L993 T997R986-E995 IonicContact CZ-OE2 3.06Å; R986-E995 IonicContact NH1-OE1 3.48Å; R986-E995 IonicContact NH1-OE2 3.31Å; R986-E995 PolarHBondContact NH1-OE2 2.89Å; L993-E995 HydrophobicContact CB-CG 4.42Å; L993-E995 HydrophobicContact CD2-CG 4.06Å; L993-E995 PolarHBondContact O-N 3.4Å; L993-E995 VanDerWaalsContact O-N 3.08Å; E995-T997 HydrophobicContact CB-CG2 4.3Å; E995-T997 PolarHBondContact O-N 3.22Å; E995-T997 PolarHBondContact O-OG1 2.97Å
996T31.2Very low49.2Very low127 Ų12782.5 Ų82.578%0.77947%0.465SS*.  trans-67.372.9159.251.80000109.3I994I994-T996 PolarHBondContact O-N 3.09Å
997T33.4Very low49.7Very low101 Ų10177.4 Ų77.462%0.6245%0.446SS*.  trans-74.5131.5-179.517.80000110.7E995 L999E995-T997 HydrophobicContact CB-CG2 4.3Å; E995-T997 PolarHBondContact O-N 3.22Å; E995-T997 PolarHBondContact O-OG1 2.97Å; T997-L999 PolarHBondContact O-N 3.41Å
998L31.4Very low50.5Low169 Ų16977.3 Ų77.389%0.88545%0.446SS*.SBendtrans-72.791.5-173.1-69.182.2000111.2
999L31.9Very low51.5Low159 Ų15977.2 Ų77.283%0.83244%0.444SS*.SBendtrans-177.957.1154.3-102.9162.5000111.2T997 K1001T997-L999 PolarHBondContact O-N 3.41Å; L999-K1001 PolarHBondContact O-N 2.85Å
1000G38.9Very low52.9Low83 Ų8372.9 Ų72.986%0.85642%0.417SS*.  trans63.6-7.1165.900000119.3
1001K43.6Very low54.5Low112 Ų11268.8 Ų68.849%0.48740%0.401SS..PPolyproline II helixtrans-72.5142.5-169.2-71.4-169.7177.9-169.70113.7E980 L999E980-K1001 PolarHBondContact O-NZ 2.73Å; L999-K1001 PolarHBondContact O-N 2.85Å
1002R50.6Low56.4Low60 Ų6067.3 Ų67.323%0.22639%0.394CS..PPolyproline II helixtrans-67.6151.9-162.2-57.4179.4-171.5135.51.4112.9F871 M1006 E1160 E1161F871-R1002 PolarHBondContact O-NH1 3Å; R1002-M1006 HydrophobicContact CB-CG 4.22Å; R1002-E1160 IonicContact CZ-OE1 2.75Å; R1002-E1160 VanDerWaalsContact CZ-OE1 3.27Å; R1002-E1160 IonicContact NH1-OE1 3.92Å; R1002-E1160 PolarHBondContact NH1-OE1 2.82Å; R1002-E1160 IonicContact NH2-OE1 3.57Å; R1002-E1160 PolarHBondContact NH2-OE1 3.11Å; R1002-E1160 IonicContact NH2-OE2 3.78Å; R1002-E1161 IonicContact NH2-OE1 3.02Å
1003C60.4Low58.7Low68 Ų6864.2 Ų64.246%0.45936%0.361SS..PPolyproline II helixtrans-54.8137.3180172.80000112M1005 M1006C1003-M1005 PolarHBondContact O-N 3.28Å; C1003-M1006 HydrophobicContact CB-CE 3.93Å; C1003-M1006 HydrophobicContact CB-CG 3.94Å; C1003-M1006 HydrophobicContact CB-SD 4.25Å; C1003-M1006 WeakPolarHBondContact O-CB 3.45Å; C1003-M1006 VanDerWaalsContact O-CG 3.26Å; C1003-M1006 WeakPolarHBondContact O-CG 3.42Å; C1003-M1006 PolarHBondContact O-N 2.74Å
1004P65.7Low61.3Low57 Ų5762.1 Ų62.137%0.3735%0.35SS..Hα-helixtrans-57.7-20.6-179.3-28.535.7000115.7R986 L1008R986-P1004 WeakPolarHBondContact O-CG 3.2Å; P1004-L1008 PolarHBondContact O-N 2.89Å
1005M69.3Low63.9Low75 Ų7554.6 Ų54.637%0.36931%0.312SS..Hα-helixtrans-68.1-32.9171.6-66.5-16370.800112.9C1003 F1009C1003-M1005 PolarHBondContact O-N 3.28Å; M1005-F1009 HydrophobicContact CB-CE2 4.46Å; M1005-F1009 HydrophobicContact CE-CE2 4.01Å; M1005-F1009 HydrophobicContact CE-CZ 4.29Å; M1005-F1009 WeakPolarHBondContact O-CD2 3.4Å; M1005-F1009 PolarHBondContact O-N 3.49Å
1006M72.7Confident66.6Low21 Ų2151.3 Ų51.310%0.10330%0.297CS..Hα-helixtrans-66.2-51.1-177.7-38.7-59.780.900109.1R1002 C1003 L1008 F1009 Q1010 Y1168R1002-M1006 HydrophobicContact CB-CG 4.22Å; C1003-M1006 HydrophobicContact CB-CE 3.93Å; C1003-M1006 HydrophobicContact CB-CG 3.94Å; C1003-M1006 HydrophobicContact CB-SD 4.25Å; C1003-M1006 WeakPolarHBondContact O-CB 3.45Å; C1003-M1006 VanDerWaalsContact O-CG 3.26Å; C1003-M1006 WeakPolarHBondContact O-CG 3.42Å; C1003-M1006 PolarHBondContact O-N 2.74Å; M1006-L1008 VanDerWaalsContact C-N 3.29Å; M1006-L1008 PolarHBondContact O-N 3.03Å; M1006-F1009 WeakPolarHBondContact O-CA 3.28Å; M1006-F1009 WeakPolarHBondContact O-CB 3.42Å; M1006-F1009 PolarHBondContact O-N 3.1Å; M1006-Q1010 WeakPolarHBondContact O-CG 3.22Å; M1006-Q1010 PolarHBondContact O-N 2.85Å; M1006-Q1010 PolarHBondContact O-OE1 3.39Å; M1006-Y1168 HydrophobicContact CE-CD2 3.8Å; M1006-Y1168 HydrophobicContact CE-CE1 4.11Å; M1006-Y1168 HydrophobicContact CE-CE2 3.25Å; M1006-Y1168 HydrophobicContact CE-CG 4.44Å; M1006-Y1168 VanDerWaalsContact CE-CZ 3.41Å; M1006-Y1168 HydrophobicContact SD-CD1 3.5Å; M1006-Y1168 VanDerWaalsContact SD-CD1 3.5Å; M1006-Y1168 HydrophobicContact SD-CD2 3.42Å; M1006-Y1168 WeakPolarHBondContact SD-CD2 3.44Å; M1006-Y1168 HydrophobicContact SD-CE1 3.44Å; M1006-Y1168 WeakPolarHBondContact SD-CE1 3.23Å; M1006-Y1168 HydrophobicContact SD-CE2 3.4Å; M1006-Y1168 WeakPolarHBondContact SD-CE2 3.26Å; M1006-Y1168 HydrophobicContact SD-CG 3.49Å
1007A79.4Confident69.3Low2 Ų246.8 Ų46.82%0.01727%0.272CS..Hα-helixtrans-60.2-37.8-177.400000112.4I873 I876 F1009 M1011I873-A1007 HydrophobicContact CG2-CB 3.71Å; I876-A1007 HydrophobicContact CD1-CB 3.61Å; A1007-F1009 PolarHBondContact O-N 2.85Å; A1007-M1011 VanDerWaalsContact O-CB 3.25Å; A1007-M1011 WeakPolarHBondContact O-CB 3.42Å; A1007-M1011 PolarHBondContact O-N 2.94Å
1008L82.1Confident72Confident7 Ų742.3 Ų42.34%0.03725%0.245CC..Hα-helixtrans-66.4-31.2172.1-83179.5000114.1T915 L918 I987 P1004 M1006 M1011 T1012T915-L1008 HydrophobicContact CG2-CD1 4.15Å; T915-L1008 HydrophobicContact CG2-CD2 3.83Å; L918-L1008 HydrophobicContact CD2-CD2 4.29Å; I987-L1008 HydrophobicContact CD1-CD2 4.21Å; I987-L1008 HydrophobicContact CD1-CG 4.35Å; I987-L1008 HydrophobicContact CG2-CD1 3.52Å; I987-L1008 HydrophobicContact CG2-CD2 3.99Å; I987-L1008 HydrophobicContact CG2-CG 3.7Å; P1004-L1008 PolarHBondContact O-N 2.89Å; M1006-L1008 VanDerWaalsContact C-N 3.29Å; M1006-L1008 PolarHBondContact O-N 3.03Å; L1008-M1011 HydrophobicContact CD2-CE 4.02Å; L1008-M1011 HydrophobicContact CD2-SD 4.33Å; L1008-T1012 PolarHBondContact O-N 3.38Å; L1008-T1012 VanDerWaalsContact O-N 3.15Å
1009F80.3Confident74.8Confident12 Ų1235.5 Ų35.55%0.05321%0.208CC..Hα-helixtrans-78.7-43.4176.6-78.4-51.4000112M1005 M1006 A1007 M1011 T1012 S1013 H1171 M1175M1005-F1009 HydrophobicContact CB-CE2 4.46Å; M1005-F1009 HydrophobicContact CE-CE2 4.01Å; M1005-F1009 HydrophobicContact CE-CZ 4.29Å; M1005-F1009 WeakPolarHBondContact O-CD2 3.4Å; M1005-F1009 PolarHBondContact O-N 3.49Å; M1006-F1009 WeakPolarHBondContact O-CA 3.28Å; M1006-F1009 WeakPolarHBondContact O-CB 3.42Å; M1006-F1009 PolarHBondContact O-N 3.1Å; A1007-F1009 PolarHBondContact O-N 2.85Å; F1009-M1011 VanDerWaalsContact C-N 3.28Å; F1009-M1011 PolarHBondContact O-N 2.79Å; F1009-T1012 PolarHBondContact O-N 3.13Å; F1009-T1012 PolarHBondContact O-OG1 3.26Å; F1009-S1013 PolarHBondContact O-N 3.42Å; F1009-H1171 HydrophobicContact CB-CB 3.98Å; F1009-H1171 HydrophobicContact CD1-CB 4.13Å; F1009-H1171 AromaticContact CD1-CD2 3.99Å; F1009-H1171 HydrophobicContact CD2-CB 4.3Å; F1009-H1171 HydrophobicContact CG-CB 3.9Å; F1009-H1171 PolarHBondContact O-NE2 2.88Å; F1009-M1175 HydrophobicContact CE1-CE 3.88Å; F1009-M1175 HydrophobicContact CE1-CG 3.77Å; F1009-M1175 HydrophobicContact CZ-CB 4.47Å; F1009-M1175 HydrophobicContact CZ-CE 4.41Å; F1009-M1175 HydrophobicContact CZ-CG 3.84Å
1010Q82.9Confident77.4Confident11 Ų1130.1 Ų30.15%0.05118%0.177CC..Hα-helixtrans-55-46.5169.6-67.1168.7-85.200110.1F871 I873 M1006 T1012 S1013 L1014F871-Q1010 PolarHBondContact O-NE2 3.42Å; F871-Q1010 VanDerWaalsContact O-NE2 3.1Å; I873-Q1010 HydrophobicContact CD1-CB 3.57Å; I873-Q1010 HydrophobicContact CG1-CB 4.47Å; M1006-Q1010 WeakPolarHBondContact O-CG 3.22Å; M1006-Q1010 PolarHBondContact O-N 2.85Å; M1006-Q1010 PolarHBondContact O-OE1 3.39Å; Q1010-T1012 PolarHBondContact O-N 3.27Å; Q1010-S1013 PolarHBondContact O-N 3.41Å; Q1010-L1014 WeakPolarHBondContact O-CB 3.48Å; Q1010-L1014 WeakPolarHBondContact O-CG 3.3Å; Q1010-L1014 PolarHBondContact O-N 3.27Å
1011M89.9Confident79.6Confident0 Ų028 Ų280%015%0.148CC..Hα-helixtrans-56.2-50173.6-176-157.173.800112.4I873 I876 M877 I880 H914 L918 A1007 L1008 F1009 S1013 L1014 L1015I873-M1011 HydrophobicContact CD1-CB 4.45Å; I876-M1011 HydrophobicContact CG2-CB 4Å; I876-M1011 HydrophobicContact CG2-CG 3.66Å; I876-M1011 HydrophobicContact CG2-SD 3.66Å; M877-M1011 HydrophobicContact SD-CB 4.47Å; M877-M1011 HydrophobicContact SD-CG 3.99Å; I880-M1011 HydrophobicContact CD1-SD 4.05Å; I880-M1011 HydrophobicContact CG1-CG 4.46Å; I880-M1011 HydrophobicContact CG1-SD 3.92Å; H914-M1011 HydrophobicContact CB-CE 4.32Å; L918-M1011 HydrophobicContact CD2-SD 3.85Å; A1007-M1011 VanDerWaalsContact O-CB 3.25Å; A1007-M1011 WeakPolarHBondContact O-CB 3.42Å; A1007-M1011 PolarHBondContact O-N 2.94Å; L1008-M1011 HydrophobicContact CD2-CE 4.02Å; L1008-M1011 HydrophobicContact CD2-SD 4.33Å; F1009-M1011 VanDerWaalsContact C-N 3.28Å; F1009-M1011 PolarHBondContact O-N 2.79Å; M1011-S1013 VanDerWaalsContact C-N 3.28Å; M1011-S1013 PolarHBondContact O-N 2.87Å; M1011-L1014 PolarHBondContact O-N 3.11Å; M1011-L1015 HydrophobicContact CE-CD1 3.95Å; M1011-L1015 HydrophobicContact CG-CD1 4.08Å; M1011-L1015 HydrophobicContact CG-CG 4.41Å; M1011-L1015 VanDerWaalsContact O-CG 3.26Å; M1011-L1015 WeakPolarHBondContact O-CG 3.49Å; M1011-L1015 PolarHBondContact O-N 3.08Å; M1011-L1015 HydrophobicContact SD-CD1 4.42Å
1012T89.3Confident81.8Confident11 Ų1123.2 Ų23.27%0.06713%0.128CC..Hα-helixtrans-67.5-26.8-178.857.90000113.8L1008 F1009 Q1010 Q1084L1008-T1012 PolarHBondContact O-N 3.38Å; L1008-T1012 VanDerWaalsContact O-N 3.15Å; F1009-T1012 PolarHBondContact O-N 3.13Å; F1009-T1012 PolarHBondContact O-OG1 3.26Å; Q1010-T1012 PolarHBondContact O-N 3.27Å; T1012-Q1084 PolarHBondContact OG1-NE2 2.91Å; T1012-Q1084 VanDerWaalsContact OG1-NE2 3.15Å
1013S89Confident83.8Confident2 Ų220.4 Ų20.41%0.01412%0.117CC..Hα-helixtrans-70.5-46.2168.6-91.50000112.7F1009 Q1010 M1011 L1015 I1016 A1017 Q1084 F1088 H1171F1009-S1013 PolarHBondContact O-N 3.42Å; Q1010-S1013 PolarHBondContact O-N 3.41Å; M1011-S1013 VanDerWaalsContact C-N 3.28Å; M1011-S1013 PolarHBondContact O-N 2.87Å; S1013-L1015 VanDerWaalsContact C-N 3.26Å; S1013-L1015 PolarHBondContact O-N 2.9Å; S1013-I1016 VanDerWaalsContact O-CB 3.29Å; S1013-I1016 WeakPolarHBondContact O-CB 3.37Å; S1013-I1016 PolarHBondContact O-N 3.31Å; S1013-A1017 PolarHBondContact O-N 2.88Å; S1013-Q1084 WeakPolarHBondContact OG-CG 3.38Å; S1013-Q1084 PolarHBondContact OG-NE2 3.29Å; S1013-F1088 VanDerWaalsContact CB-CD2 3.47Å; S1013-F1088 WeakPolarHBondContact OG-CD2 3.49Å; S1013-H1171 PolarHBondContact OG-CE1 3.35Å; S1013-H1171 PolarHBondContact OG-NE2 2.94Å
1014L90.6Very high85.4Confident1 Ų117.1 Ų17.11%0.00510%0.095CC..Hα-helixtrans-61.6-33.4176.8-75.2-167.9000112.5T864 L867 G868 F871 I873 M877 Q1010 M1011 I1016 A1017 A1018 F1088T864-L1014 HydrophobicContact CG2-CB 3.6Å; T864-L1014 HydrophobicContact CG2-CD1 4.35Å; T864-L1014 HydrophobicContact CG2-CD2 4.13Å; T864-L1014 HydrophobicContact CG2-CG 4.23Å; T864-L1014 WeakPolarHBondContact CG2-O 3.38Å; L867-L1014 HydrophobicContact CB-CD2 4.48Å; L867-L1014 HydrophobicContact CD2-CD2 3.55Å; L867-L1014 HydrophobicContact CG-CD2 3.85Å; G868-L1014 VanDerWaalsContact CA-CD1 3.42Å; F871-L1014 HydrophobicContact CD2-CD1 4.33Å; F871-L1014 HydrophobicContact CD2-CD2 4.11Å; F871-L1014 HydrophobicContact CD2-CG 4.5Å; F871-L1014 HydrophobicContact CE2-CD2 4.09Å; I873-L1014 HydrophobicContact CD1-CD1 3.71Å; I873-L1014 HydrophobicContact CG1-CD1 4.26Å; M877-L1014 HydrophobicContact CE-CB 4.04Å; M877-L1014 HydrophobicContact CG-CD1 3.97Å; M877-L1014 HydrophobicContact SD-CB 4.1Å; M877-L1014 HydrophobicContact SD-CD1 4.06Å; Q1010-L1014 WeakPolarHBondContact O-CB 3.48Å; Q1010-L1014 WeakPolarHBondContact O-CG 3.3Å; Q1010-L1014 PolarHBondContact O-N 3.27Å; M1011-L1014 PolarHBondContact O-N 3.11Å; L1014-I1016 PolarHBondContact O-N 3.37Å; L1014-A1017 PolarHBondContact O-N 3.3Å; L1014-A1017 VanDerWaalsContact O-N 3.09Å; L1014-A1018 PolarHBondContact O-N 3.09Å; L1014-F1088 HydrophobicContact CD2-CE1 4.32Å
1015L93.3Very high86.7Confident0 Ų015.9 Ų15.90%08%0.083CC..Hα-helixtrans-63-24.6173.4-67.8167.4000113F861 M877 I880 H914 M1011 S1013 Y1019 V1062F861-L1015 HydrophobicContact CE2-CD2 4.17Å; F861-L1015 HydrophobicContact CZ-CD2 4.27Å; M877-L1015 HydrophobicContact CE-CD2 4.34Å; I880-L1015 HydrophobicContact CG2-CD2 3.89Å; H914-L1015 HydrophobicContact CB-CD1 3.73Å; M1011-L1015 HydrophobicContact CE-CD1 3.95Å; M1011-L1015 HydrophobicContact CG-CD1 4.08Å; M1011-L1015 HydrophobicContact CG-CG 4.41Å; M1011-L1015 VanDerWaalsContact O-CG 3.26Å; M1011-L1015 WeakPolarHBondContact O-CG 3.49Å; M1011-L1015 PolarHBondContact O-N 3.08Å; M1011-L1015 HydrophobicContact SD-CD1 4.42Å; S1013-L1015 VanDerWaalsContact C-N 3.26Å; S1013-L1015 PolarHBondContact O-N 2.9Å; L1015-Y1019 HydrophobicContact CB-CD2 4.34Å; L1015-Y1019 HydrophobicContact CB-CE2 4.47Å; L1015-Y1019 HydrophobicContact CD2-CD2 4.33Å; L1015-Y1019 HydrophobicContact CD2-CE2 3.7Å; L1015-Y1019 WeakPolarHBondContact O-CB 3.28Å; L1015-Y1019 VanDerWaalsContact O-CD2 3.25Å; L1015-Y1019 WeakPolarHBondContact O-CD2 3.48Å; L1015-Y1019 PolarHBondContact O-N 3.18Å; L1015-V1062 HydrophobicContact CB-CG1 4.1Å; L1015-V1062 WeakPolarHBondContact O-CG2 3.49Å
1016I92.7Very high87.8Confident0 Ų013 Ų130%07%0.069CC..Hα-helixtrans-67.3-51.8169.6-51.3170.9000109.3S1013 L1014 A1018 Y1019 Y1020 V1062 V1080 Q1084 L1085 F1088S1013-I1016 VanDerWaalsContact O-CB 3.29Å; S1013-I1016 WeakPolarHBondContact O-CB 3.37Å; S1013-I1016 PolarHBondContact O-N 3.31Å; L1014-I1016 PolarHBondContact O-N 3.37Å; I1016-A1018 VanDerWaalsContact C-N 3.25Å; I1016-A1018 PolarHBondContact O-N 3.34Å; I1016-Y1019 PolarHBondContact O-N 3.49Å; I1016-Y1020 HydrophobicContact CG2-CD2 4.04Å; I1016-Y1020 WeakPolarHBondContact O-CB 3.28Å; I1016-Y1020 PolarHBondContact O-N 3.27Å; I1016-V1062 HydrophobicContact CG1-CB 4.33Å; I1016-V1062 HydrophobicContact CG1-CG1 4.44Å; I1016-V1080 HydrophobicContact CD1-CB 4.01Å; I1016-V1080 HydrophobicContact CD1-CG1 3.85Å; I1016-V1080 HydrophobicContact CD1-CG2 4.41Å; I1016-V1080 HydrophobicContact CG1-CB 4.47Å; I1016-V1080 HydrophobicContact CG1-CG1 3.87Å; I1016-Q1084 HydrophobicContact CD1-CB 3.46Å; I1016-Q1084 VanDerWaalsContact CD1-CB 3.46Å; I1016-L1085 HydrophobicContact CD1-CD2 4.19Å; I1016-L1085 HydrophobicContact CG2-CD2 4.12Å; I1016-F1088 HydrophobicContact CB-CB 4Å; I1016-F1088 HydrophobicContact CG2-CB 4.29Å; I1016-F1088 WeakPolarHBondContact CG2-O 3.28Å
1017A88.2Confident88.6Confident32 Ų3215 Ų1526%0.2648%0.076SC..Hα-helixtrans-60.2-32.7178.300000113.4S1013 L1014 F1088S1013-A1017 PolarHBondContact O-N 2.88Å; L1014-A1017 PolarHBondContact O-N 3.3Å; L1014-A1017 VanDerWaalsContact O-N 3.09Å; A1017-F1088 HydrophobicContact CB-CD1 4.23Å
1018A89.3Confident88.9Confident6 Ų615.5 Ų15.55%0.058%0.081CC..Hα-helixtrans-74.9-29.7178.200000114.8F861 T864 L1014 I1016F861-A1018 HydrophobicContact CD2-CB 3.62Å; F861-A1018 HydrophobicContact CE2-CB 3.79Å; F861-A1018 HydrophobicContact CG-CB 4.25Å; T864-A1018 HydrophobicContact CG2-CB 3.92Å; T864-A1018 VanDerWaalsContact OG1-CA 3.27Å; T864-A1018 WeakPolarHBondContact OG1-CA 3.44Å; T864-A1018 WeakPolarHBondContact OG1-CB 3.12Å; T864-A1018 PolarHBondContact OG1-N 3.25Å; L1014-A1018 PolarHBondContact O-N 3.09Å; I1016-A1018 VanDerWaalsContact C-N 3.25Å; I1016-A1018 PolarHBondContact O-N 3.34Å
1019Y90Very high89.1Confident26 Ų2620.5 Ų20.510%0.10210%0.102CC..Hα-helixtrans-120.6-2.8-169.5-62.5-49.5000114.3F861 S884 H914 L1015 I1016 N1022 V1062 S1064F861-Y1019 HydrophobicContact CD2-CD1 4.42Å; F861-Y1019 AromaticContact CD2-CE1 3.75Å; F861-Y1019 HydrophobicContact CD2-CE1 3.75Å; F861-Y1019 AromaticContact CE2-CE1 3.9Å; F861-Y1019 HydrophobicContact CE2-CE1 3.9Å; F861-Y1019 HydrophobicContact CE2-CE2 4.24Å; F861-Y1019 AromaticContact CE2-CZ 3.64Å; S884-Y1019 PolarHBondContact OG-OH 3.34Å; H914-Y1019 AromaticContact CE1-CE2 3.59Å; H914-Y1019 AromaticContact NE2-CE2 3.46Å; H914-Y1019 WeakPolarHBondContact NE2-CE2 3.31Å; H914-Y1019 AromaticContact NE2-CZ 3.81Å; H914-Y1019 PolarHBondContact NE2-OH 2.63Å; L1015-Y1019 HydrophobicContact CB-CD2 4.34Å; L1015-Y1019 HydrophobicContact CB-CE2 4.47Å; L1015-Y1019 HydrophobicContact CD2-CD2 4.33Å; L1015-Y1019 HydrophobicContact CD2-CE2 3.7Å; L1015-Y1019 WeakPolarHBondContact O-CB 3.28Å; L1015-Y1019 VanDerWaalsContact O-CD2 3.25Å; L1015-Y1019 WeakPolarHBondContact O-CD2 3.48Å; L1015-Y1019 PolarHBondContact O-N 3.18Å; I1016-Y1019 PolarHBondContact O-N 3.49Å; Y1019-N1022 WeakPolarHBondContact O-CA 3.37Å; Y1019-N1022 WeakPolarHBondContact O-CB 3.46Å; Y1019-N1022 PolarHBondContact O-N 3.33Å; Y1019-V1062 HydrophobicContact CD2-CG2 4.19Å; Y1019-S1064 WeakPolarHBondContact OH-CB 3.44Å
1020Y87.1Confident89.5Confident46 Ų4623.2 Ų23.218%0.1811%0.112CC..THydrogen-bonded Turntrans-54.4132.8178.5-152.2-99.1000111.3I1016 V1023 L1035 A1090 D1103I1016-Y1020 HydrophobicContact CG2-CD2 4.04Å; I1016-Y1020 WeakPolarHBondContact O-CB 3.28Å; I1016-Y1020 PolarHBondContact O-N 3.27Å; Y1020-V1023 HydrophobicContact CD2-CG2 3.81Å; Y1020-V1023 HydrophobicContact CE2-CB 4.46Å; Y1020-V1023 HydrophobicContact CE2-CG2 3.69Å; Y1020-L1035 HydrophobicContact CE2-CD1 4.42Å; Y1020-L1035 WeakPolarHBondContact OH-CD1 3.16Å; Y1020-A1090 VanDerWaalsContact CE1-N 3.35Å; Y1020-A1090 VanDerWaalsContact CE2-N 3.32Å; Y1020-A1090 VanDerWaalsContact CZ-CA 3.49Å; Y1020-A1090 VanDerWaalsContact OH-CA 3.25Å; Y1020-A1090 WeakPolarHBondContact OH-CA 3.48Å; Y1020-A1090 PolarHBondContact OH-N 3.26Å; Y1020-D1103 WeakPolarHBondContact CE1-OD2 3.33Å; Y1020-D1103 PolarHBondContact OH-OD2 3.49Å
1021P85.7Confident89.8Confident40 Ų4028.7 Ų28.726%0.2613%0.133SC..THydrogen-bonded Turncis-93.923.513.438.5-37.8000116.2V1023P1021-V1023 PolarHBondContact O-N 2.84Å
1022N90Very high89.9Confident11 Ų1128.7 Ų28.76%0.05913%0.133CC..  trans-73.865.6-179.8-68.5-26.4000113.4Y1019 V1062 F1063 S1064Y1019-N1022 WeakPolarHBondContact O-CA 3.37Å; Y1019-N1022 WeakPolarHBondContact O-CB 3.46Å; Y1019-N1022 PolarHBondContact O-N 3.33Å; N1022-V1062 WeakPolarHBondContact O-CA 3.36Å; N1022-V1062 WeakPolarHBondContact O-CG2 3.25Å; N1022-F1063 HydrophobicContact CB-CD1 4.33Å; N1022-F1063 HydrophobicContact CB-CD2 3.78Å; N1022-F1063 HydrophobicContact CB-CE1 4.05Å; N1022-F1063 HydrophobicContact CB-CE2 3.44Å; N1022-F1063 VanDerWaalsContact CB-CE2 3.44Å; N1022-F1063 HydrophobicContact CB-CG 4.19Å; N1022-F1063 HydrophobicContact CB-CZ 3.6Å; N1022-F1063 WeakPolarHBondContact CB-O 3.26Å; N1022-F1063 VanDerWaalsContact O-CD1 3.26Å; N1022-F1063 WeakPolarHBondContact O-CD1 3.48Å; N1022-F1063 WeakPolarHBondContact O-CE1 3.49Å; N1022-F1063 PolarHBondContact O-N 3.18Å; N1022-S1064 PolarHBondContact ND2-O 3.37Å
1023V92.3Very high89.9Confident0 Ų028.4 Ų28.40%013%0.13CC..EExtended strand (participates in β ladder)trans-116.3145.3174.2179.30000109.8Y1020 P1021 L1035 F1061 L1085 W1105Y1020-V1023 HydrophobicContact CD2-CG2 3.81Å; Y1020-V1023 HydrophobicContact CE2-CB 4.46Å; Y1020-V1023 HydrophobicContact CE2-CG2 3.69Å; P1021-V1023 PolarHBondContact O-N 2.84Å; V1023-L1035 PolarHBondContact O-N 3.04Å; V1023-F1061 CarbonylContact C-O 3.31Å; V1023-F1061 WeakPolarHBondContact CA-O 3.32Å; V1023-L1085 HydrophobicContact CB-CD2 4.42Å; V1023-L1085 HydrophobicContact CG1-CD1 4.19Å; V1023-L1085 HydrophobicContact CG1-CD2 3.72Å; V1023-L1085 HydrophobicContact CG2-CD2 3.82Å; V1023-W1105 HydrophobicContact CG1-CH2 4.03Å; V1023-W1105 HydrophobicContact CG1-CZ2 3.91Å
1024C93.1Very high89.8Confident0 Ų028.4 Ų28.40%013%0.131CC..EExtended strand (participates in β ladder)trans-142.915317567.30000113.6V1032 L1033 T1034 F1060 F1061 F1063C1024-V1032 HydrophobicContact CB-CB 3.95Å; C1024-V1032 HydrophobicContact CB-CG2 4.01Å; C1024-L1033 CarbonylContact C-O 3.56Å; C1024-L1033 WeakPolarHBondContact CA-O 3.33Å; C1024-L1033 VanDerWaalsContact CB-O 3.26Å; C1024-L1033 WeakPolarHBondContact CB-O 3.36Å; C1024-T1034 HydrophobicContact CB-CG2 4.28Å; C1024-F1060 WeakPolarHBondContact O-CA 3.43Å; C1024-F1061 PolarHBondContact N-O 3.47Å; C1024-F1061 PolarHBondContact O-N 3.02Å; C1024-F1063 HydrophobicContact CB-CD1 4.26Å; C1024-F1063 HydrophobicContact CB-CE1 3.98Å
1025W93.9Very high89.4Confident30 Ų3029.3 Ų29.311%0.11414%0.135CC..EExtended strand (participates in β ladder)trans-102.8126.6174.9171.472000110.7L236 V238 P239 Y241 Y1027 V1032 L1033 F1060 W1105L236-W1025 HydrophobicContact CD2-CZ3 4.45Å; V238-W1025 HydrophobicContact CG1-CD2 4.21Å; V238-W1025 HydrophobicContact CG1-CG 4.09Å; V238-W1025 HydrophobicContact CG2-CB 4.24Å; V238-W1025 HydrophobicContact CG2-CD2 4.03Å; V238-W1025 HydrophobicContact CG2-CE3 3.99Å; V238-W1025 HydrophobicContact CG2-CG 4.14Å; P239-W1025 HydrophobicContact CG-CZ2 3.95Å; Y241-W1025 AromaticContact CZ-NE1 3.96Å; Y241-W1025 PolarHBondContact OH-NE1 3.14Å; W1025-Y1027 HydrophobicContact CE3-CD1 4.16Å; W1025-Y1027 HydrophobicContact CE3-CG 4.42Å; W1025-Y1027 HydrophobicContact CH2-CG 4.48Å; W1025-Y1027 HydrophobicContact CZ3-CD1 4.14Å; W1025-Y1027 HydrophobicContact CZ3-CG 4.05Å; W1025-V1032 CarbonylContact O-C 3.56Å; W1025-V1032 WeakPolarHBondContact O-CA 3.29Å; W1025-L1033 HydrophobicContact CE3-CB 4Å; W1025-L1033 HydrophobicContact CE3-CD2 4.13Å; W1025-L1033 HydrophobicContact CZ3-CD2 4.49Å; W1025-L1033 PolarHBondContact N-O 3.15Å; W1025-L1033 PolarHBondContact O-N 3.42Å; W1025-F1060 HydrophobicContact CB-CD1 4.31Å; W1025-F1060 HydrophobicContact CB-CE1 3.98Å; W1025-F1060 AromaticContact CD1-CE1 3.9Å; W1025-F1060 AromaticContact CD1-CZ 3.64Å; W1025-F1060 HydrophobicContact CG-CE1 4.28Å; W1025-F1060 HydrophobicContact CG-CZ 4.4Å; W1025-W1105 HydrophobicContact CB-CH2 4.34Å; W1025-W1105 HydrophobicContact CB-CZ3 3.89Å
1026H92.9Very high88.4Confident16 Ų1630 Ų307%0.07414%0.138CC..EExtended strand (participates in β ladder)trans-83.9132.2177.6177.5-101000112K1029 R1031 V1032 V1054 F1056 P1059 F1061H1026-K1029 PolarHBondContact NE2-O 3.06Å; H1026-R1031 PolarHBondContact CD2-O 2.88Å; H1026-V1032 HydrophobicContact CB-CG1 4.29Å; H1026-V1054 PolarHBondContact CE1-O 2.67Å; H1026-F1056 HydrophobicContact CB-CD2 4.44Å; H1026-F1056 AromaticContact CD2-CE2 3.86Å; H1026-F1056 AromaticContact CE1-CD2 3.8Å; H1026-F1056 AromaticContact CE1-CE2 3.61Å; H1026-F1056 AromaticContact CG-CD2 3.91Å; H1026-F1056 AromaticContact CG-CE2 3.9Å; H1026-F1056 AromaticContact ND1-CD2 3.6Å; H1026-F1056 AromaticContact ND1-CE2 3.8Å; H1026-F1056 AromaticContact NE2-CE2 3.67Å; H1026-P1059 HydrophobicContact CB-CB 4.4Å; H1026-P1059 WeakPolarHBondContact CB-O 3.31Å; H1026-P1059 PolarHBondContact N-O 3.34Å; H1026-F1061 HydrophobicContact CB-CD2 4.37Å; H1026-F1061 HydrophobicContact CB-CE2 4.07Å
1027Y89Confident87.5Confident62 Ų6232 Ų3224%0.24315%0.149CC..EExtended strand (participates in β ladder)trans-134.916.2-17872.7-91.6000114.2W1025 R1031 L1033 T1039W1025-Y1027 HydrophobicContact CE3-CD1 4.16Å; W1025-Y1027 HydrophobicContact CE3-CG 4.42Å; W1025-Y1027 HydrophobicContact CH2-CG 4.48Å; W1025-Y1027 HydrophobicContact CZ3-CD1 4.14Å; W1025-Y1027 HydrophobicContact CZ3-CG 4.05Å; Y1027-R1031 HydrophobicContact CD1-CB 4.43Å; Y1027-R1031 HydrophobicContact CD2-CB 4.47Å; Y1027-R1031 HydrophobicContact CE1-CB 3.9Å; Y1027-R1031 HydrophobicContact CE2-CB 3.96Å; Y1027-R1031 PolarHBondContact N-O 3.48Å; Y1027-L1033 HydrophobicContact CD1-CB 4.3Å; Y1027-L1033 HydrophobicContact CE1-CB 4.23Å; Y1027-T1039 VanDerWaalsContact OH-CG2 3.27Å; Y1027-T1039 WeakPolarHBondContact OH-CG2 3.31Å
1028G84.5Confident86.9Confident12 Ų1230.6 Ų30.612%0.12414%0.137CC..EExtended strand (participates in β ladder)trans135.1142.8164.400000115.9R1030 R1031G1028-R1030 PolarHBondContact O-N 3.31Å; G1028-R1031 WeakPolarHBondContact O-CB 3.42Å; G1028-R1031 PolarHBondContact O-N 2.95Å
1029K87Confident86.6Confident113 Ų11332.1 Ų32.149%0.49115%0.146SC..THydrogen-bonded Turntrans47.8-116.4-168.4-55.7-170.8176.6-173.90111H1026 S1051 N1053H1026-K1029 PolarHBondContact NE2-O 3.06Å; K1029-S1051 WeakPolarHBondContact CD-O 3.23Å; K1029-N1053 WeakPolarHBondContact CG-OD1 3.48Å; K1029-N1053 PolarHBondContact N-OD1 2.79Å; K1029-N1053 VanDerWaalsContact N-OD1 3.16Å
1030R89.4Confident86.4Confident68 Ų6831 Ų3126%0.25714%0.142SC..THydrogen-bonded Turntrans-962176.3-62.7176.157.4-142.5-3.2114.1G1028 L1041 I1042 C1049 E1050G1028-R1030 PolarHBondContact O-N 3.31Å; R1030-L1041 HydrophobicContact CB-CD2 4.4Å; R1030-L1041 CarbonylContact O-C 3.54Å; R1030-L1041 VanDerWaalsContact O-CA 3.26Å; R1030-L1041 WeakPolarHBondContact O-CA 3.41Å; R1030-I1042 HydrophobicContact CB-CB 4.43Å; R1030-I1042 PolarHBondContact NE-O 3.24Å; R1030-I1042 VanDerWaalsContact NE-O 3.17Å; R1030-I1042 PolarHBondContact NH2-O 3.39Å; R1030-I1042 PolarHBondContact O-N 3.15Å; R1030-C1049 VanDerWaalsContact CD-SG 3.58Å; R1030-C1049 PolarHBondContact NE-SG 3.37Å; R1030-E1050 VanDerWaalsContact CG-O 3.24Å; R1030-E1050 WeakPolarHBondContact CG-O 3.46Å
1031R89.6Confident86.5Confident127 Ų12730.5 Ų30.548%0.47914%0.142SC..EExtended strand (participates in β ladder)trans-86.6132.4-171.1-63.6-177.7-67.3-159.42.5111.5H1026 Y1027 G1028 L1041H1026-R1031 PolarHBondContact CD2-O 2.88Å; Y1027-R1031 HydrophobicContact CD1-CB 4.43Å; Y1027-R1031 HydrophobicContact CD2-CB 4.47Å; Y1027-R1031 HydrophobicContact CE1-CB 3.9Å; Y1027-R1031 HydrophobicContact CE2-CB 3.96Å; Y1027-R1031 PolarHBondContact N-O 3.48Å; G1028-R1031 WeakPolarHBondContact O-CB 3.42Å; G1028-R1031 PolarHBondContact O-N 2.95Å; R1031-L1041 HydrophobicContact CG-CD2 3.87Å
1032V91.1Very high86.8Confident0 Ų028.6 Ų28.60%013%0.13CC..EExtended strand (participates in β ladder)trans-132153.8175.4-58.40000110.2C1024 W1025 H1026 A1040 I1042C1024-V1032 HydrophobicContact CB-CB 3.95Å; C1024-V1032 HydrophobicContact CB-CG2 4.01Å; W1025-V1032 CarbonylContact O-C 3.56Å; W1025-V1032 WeakPolarHBondContact O-CA 3.29Å; H1026-V1032 HydrophobicContact CB-CG1 4.29Å; V1032-A1040 HydrophobicContact CG2-CB 3.96Å; V1032-A1040 PolarHBondContact N-O 3.4Å; V1032-A1040 PolarHBondContact O-N 3.13Å; V1032-I1042 HydrophobicContact CG1-CD1 4.26Å; V1032-I1042 HydrophobicContact CG1-CG1 3.8Å
1033L89.4Confident86.7Confident4 Ų429 Ų292%0.02113%0.132CC..EExtended strand (participates in β ladder)trans-109.5119.2172.8-16971.5000107.7L236 V238 C1024 W1025 Y1027 N1037L236-L1033 HydrophobicContact CB-CD2 4.43Å; L236-L1033 HydrophobicContact CD2-CD1 4.35Å; L236-L1033 HydrophobicContact CD2-CD2 4.38Å; L236-L1033 VanDerWaalsContact O-CD2 3.28Å; L236-L1033 WeakPolarHBondContact O-CD2 3.42Å; V238-L1033 HydrophobicContact CG2-CD2 4.23Å; C1024-L1033 CarbonylContact C-O 3.56Å; C1024-L1033 WeakPolarHBondContact CA-O 3.33Å; C1024-L1033 VanDerWaalsContact CB-O 3.26Å; C1024-L1033 WeakPolarHBondContact CB-O 3.36Å; W1025-L1033 HydrophobicContact CE3-CB 4Å; W1025-L1033 HydrophobicContact CE3-CD2 4.13Å; W1025-L1033 HydrophobicContact CZ3-CD2 4.49Å; W1025-L1033 PolarHBondContact N-O 3.15Å; W1025-L1033 PolarHBondContact O-N 3.42Å; Y1027-L1033 HydrophobicContact CD1-CB 4.3Å; Y1027-L1033 HydrophobicContact CE1-CB 4.23Å; L1033-N1037 WeakPolarHBondContact CD1-O 3.45Å
1034T87.4Confident86.5Confident3 Ų332.6 Ų32.62%0.01815%0.147CC..EExtended strand (participates in β ladder)trans-76.7164.5173.156.40000110.7C1024 E1036 N1037 T1038 A1040 F1063 K1066C1024-T1034 HydrophobicContact CB-CG2 4.28Å; T1034-E1036 PolarHBondContact O-N 3.03Å; T1034-N1037 WeakPolarHBondContact O-CA 3.19Å; T1034-N1037 PolarHBondContact O-N 2.68Å; T1034-T1038 PolarHBondContact N-O 3.22Å; T1034-T1038 WeakPolarHBondContact OG1-CB 3.42Å; T1034-T1038 PolarHBondContact OG1-N 2.89Å; T1034-T1038 PolarHBondContact OG1-O 3.48Å; T1034-A1040 HydrophobicContact CG2-CB 4.21Å; T1034-F1063 HydrophobicContact CG2-CE1 4.15Å; T1034-F1063 HydrophobicContact CG2-CZ 4.09Å; T1034-K1066 HydrophobicContact CG2-CD 4.49Å
1035L81.9Confident86.2Confident20 Ų2035.1 Ų35.111%0.10516%0.159CC..THydrogen-bonded Turntrans-53.9-34.9179.3-163.7144.4000113.6I136 Y1020 V1023 N1037 D1103 W1105I136-L1035 HydrophobicContact CD1-CB 4.49Å; I136-L1035 HydrophobicContact CD1-CD2 3.52Å; I136-L1035 HydrophobicContact CG1-CD2 4.31Å; Y1020-L1035 HydrophobicContact CE2-CD1 4.42Å; Y1020-L1035 WeakPolarHBondContact OH-CD1 3.16Å; V1023-L1035 PolarHBondContact O-N 3.04Å; L1035-N1037 PolarHBondContact O-N 3.07Å; L1035-D1103 HydrophobicContact CD1-CB 4.13Å; L1035-D1103 HydrophobicContact CD2-CB 4.23Å; L1035-W1105 HydrophobicContact CD1-CD2 4.42Å; L1035-W1105 HydrophobicContact CD1-CG 4.39Å; L1035-W1105 HydrophobicContact CD1-CZ2 4.32Å; L1035-W1105 VanDerWaalsContact CD1-NE1 3.29Å; L1035-W1105 HydrophobicContact CG-CD2 4.11Å; L1035-W1105 HydrophobicContact CG-CG 3.97Å
1036E71.6Confident86.2Confident13 Ų1333.9 Ų33.96%0.06116%0.155CC..THydrogen-bonded Turntrans-59-1170.4-69.4170.8175.300115.2T134 I136 N740 T1034 T1038 K1066T134-E1036 WeakPolarHBondContact O-CB 3.33Å; T134-E1036 PolarHBondContact OG1-O 3.06Å; I136-E1036 HydrophobicContact CD1-CB 4.48Å; I136-E1036 HydrophobicContact CD1-CG 3.45Å; I136-E1036 VanDerWaalsContact CD1-CG 3.45Å; I136-E1036 HydrophobicContact CG1-CG 3.88Å; N740-E1036 VanDerWaalsContact CA-OE1 3.25Å; N740-E1036 WeakPolarHBondContact CA-OE1 3.47Å; N740-E1036 WeakPolarHBondContact CB-OE1 3.41Å; T1034-E1036 PolarHBondContact O-N 3.03Å; E1036-T1038 PolarHBondContact O-N 3.15Å; E1036-T1038 VanDerWaalsContact O-N 3.16Å; E1036-K1066 IonicContact OE1-NZ 2.96Å; E1036-K1066 PolarHBondContact OE1-NZ 3.34Å; E1036-K1066 IonicContact OE2-NZ 2.96Å; E1036-K1066 PolarHBondContact OE2-NZ 2.87Å
1037N74.4Confident86.1Confident43 Ų4333.6 Ų33.623%0.2315%0.154CC..SBendtrans57.220-165.1173.175.5000112.6K235 L236 L1033 T1034 L1035K235-N1037 HydrophobicContact CD-CB 4.39Å; L236-N1037 PolarHBondContact N-OD1 2.68Å; L1033-N1037 WeakPolarHBondContact CD1-O 3.45Å; T1034-N1037 WeakPolarHBondContact O-CA 3.19Å; T1034-N1037 PolarHBondContact O-N 2.68Å; L1035-N1037 PolarHBondContact O-N 3.07Å
1038T74.6Confident86.3Confident3 Ų330.9 Ų30.92%0.01814%0.144CC..  trans-81.1125.6174-62.50000110.1T133 T1034 E1036 A1040 V1072T133-T1038 HydrophobicContact CG2-CG2 4.31Å; T1034-T1038 PolarHBondContact N-O 3.22Å; T1034-T1038 WeakPolarHBondContact OG1-CB 3.42Å; T1034-T1038 PolarHBondContact OG1-N 2.89Å; T1034-T1038 PolarHBondContact OG1-O 3.48Å; E1036-T1038 PolarHBondContact O-N 3.15Å; E1036-T1038 VanDerWaalsContact O-N 3.16Å; T1038-A1040 PolarHBondContact O-N 3.28Å; T1038-V1072 HydrophobicContact CG2-CG2 4.39Å
1039T83Confident86.6Confident37 Ų3730.3 Ų30.323%0.22714%0.138CC..EExtended strand (participates in β ladder)trans-69.9122.8171.6-59.50000110.7K131 Y1027K131-T1039 HydrophobicContact CD-CG2 4.37Å; Y1027-T1039 VanDerWaalsContact OH-CG2 3.27Å; Y1027-T1039 WeakPolarHBondContact OH-CG2 3.31Å
1040A86.3Confident86.3Confident2 Ų227.5 Ų27.52%0.01713%0.127CC..EExtended strand (participates in β ladder)trans-129.5174.7176.800000112V1032 T1034 T1038 V1072V1032-A1040 HydrophobicContact CG2-CB 3.96Å; V1032-A1040 PolarHBondContact N-O 3.4Å; V1032-A1040 PolarHBondContact O-N 3.13Å; T1034-A1040 HydrophobicContact CG2-CB 4.21Å; T1038-A1040 PolarHBondContact O-N 3.28Å; A1040-V1072 WeakPolarHBondContact CA-O 3.39Å; A1040-V1072 HydrophobicContact CB-CB 4.07Å; A1040-V1072 HydrophobicContact CB-CG1 3.81Å
1041L89.6Confident85.6Confident37 Ų3727.4 Ų27.419%0.19414%0.136CC..EExtended strand (participates in β ladder)trans-118.4142.5176.8-61.6-179.2000112.4R1030 R1031 H1043 T1071 V1072 A1073 C1074R1030-L1041 HydrophobicContact CB-CD2 4.4Å; R1030-L1041 CarbonylContact O-C 3.54Å; R1030-L1041 VanDerWaalsContact O-CA 3.26Å; R1030-L1041 WeakPolarHBondContact O-CA 3.41Å; R1031-L1041 HydrophobicContact CG-CD2 3.87Å; L1041-H1043 PolarHBondContact O-N 3.49Å; L1041-T1071 HydrophobicContact CD1-CG2 4.25Å; L1041-V1072 PolarHBondContact N-O 2.99Å; L1041-A1073 CarbonylContact O-C 3.25Å; L1041-A1073 WeakPolarHBondContact O-CA 3.43Å; L1041-A1073 WeakPolarHBondContact O-CB 3.42Å; L1041-C1074 PolarHBondContact O-N 3.39Å
1042I91.3Very high85.1Confident0 Ų028.5 Ų28.50%015%0.147CC..EExtended strand (participates in β ladder)trans-58.5123.5165.3-59.4-178.8000108.6R1030 V1032 N1048 C1049 L1077R1030-I1042 HydrophobicContact CB-CB 4.43Å; R1030-I1042 PolarHBondContact NE-O 3.24Å; R1030-I1042 VanDerWaalsContact NE-O 3.17Å; R1030-I1042 PolarHBondContact NH2-O 3.39Å; R1030-I1042 PolarHBondContact O-N 3.15Å; V1032-I1042 HydrophobicContact CG1-CD1 4.26Å; V1032-I1042 HydrophobicContact CG1-CG1 3.8Å; I1042-N1048 HydrophobicContact CD1-CB 4.46Å; I1042-N1048 HydrophobicContact CG2-CB 4.28Å; I1042-C1049 HydrophobicContact CG2-CB 3.96Å; I1042-L1077 HydrophobicContact CB-CD2 4.46Å; I1042-L1077 HydrophobicContact CD1-CD2 4.49Å; I1042-L1077 HydrophobicContact CG1-CD2 3.91Å; I1042-L1077 HydrophobicContact CG2-CD1 3.92Å; I1042-L1077 HydrophobicContact CG2-CD2 4.25Å
1043H89.4Confident84.4Confident20 Ų2034.3 Ų34.39%0.09318%0.178CC..  trans-59.3143.7-177.6-179.2-118.2000112L1041 H1045 S1046 C1049 A1073 C1074 R1075L1041-H1043 PolarHBondContact O-N 3.49Å; H1043-H1045 AromaticContact CE1-CG 3.47Å; H1043-H1045 VanDerWaalsContact CE1-CG 3.47Å; H1043-H1045 AromaticContact CE1-ND1 3.4Å; H1043-H1045 PolarHBondContact CE1-ND1 2.91Å; H1043-H1045 AromaticContact ND1-CG 3.97Å; H1043-H1045 PolarHBondContact ND1-N 3.49Å; H1043-H1045 PolarHBondContact O-N 2.74Å; H1043-S1046 WeakPolarHBondContact O-CB 3.06Å; H1043-S1046 PolarHBondContact O-N 2.7Å; H1043-C1049 VanDerWaalsContact O-CB 3.31Å; H1043-C1049 WeakPolarHBondContact O-CB 3.48Å; H1043-A1073 HydrophobicContact CB-CB 4.48Å; H1043-C1074 WeakPolarHBondContact CB-O 3.27Å; H1043-C1074 PolarHBondContact N-O 3.47Å; H1043-R1075 HydrophobicContact CB-CB 4.36Å; H1043-R1075 HydrophobicContact CB-CG 4.31Å
1044K86.6Confident83.9Confident75 Ų7536.5 Ų36.533%0.32619%0.191SC..THydrogen-bonded Turntrans-60-17.6-174.253.1154.3-178.3162.30115.2R898R898-K1044 WeakPolarHBondContact CA-O 3.32Å; R898-K1044 WeakPolarHBondContact CB-O 3.39Å; R898-K1044 WeakPolarHBondContact CG-O 3.38Å
1045H88.1Confident83.6Confident53 Ų5344.3 Ų44.325%0.24523%0.228CC..THydrogen-bonded Turntrans-101.95.2178.4-55.3167.3000113.2I892 L899 H1043I892-H1045 HydrophobicContact CD1-CB 4.27Å; I892-H1045 WeakPolarHBondContact CD1-CD2 3.47Å; I892-H1045 WeakPolarHBondContact CD1-NE2 3.45Å; L899-H1045 VanDerWaalsContact CD1-O 3.26Å; L899-H1045 WeakPolarHBondContact CD1-O 3.36Å; L899-H1045 WeakPolarHBondContact CG-O 3.42Å; H1043-H1045 AromaticContact CE1-CG 3.47Å; H1043-H1045 VanDerWaalsContact CE1-CG 3.47Å; H1043-H1045 AromaticContact CE1-ND1 3.4Å; H1043-H1045 PolarHBondContact CE1-ND1 2.91Å; H1043-H1045 AromaticContact ND1-CG 3.97Å; H1043-H1045 PolarHBondContact ND1-N 3.49Å; H1043-H1045 PolarHBondContact O-N 2.74Å
1046S92.1Very high83.9Confident4 Ų443.9 Ų43.93%0.02823%0.225CC..SBendtrans-76143.9172.4179.60000111.5D913 H1043 N1048 C1049D913-S1046 VanDerWaalsContact CG-OG 3.26Å; D913-S1046 VanDerWaalsContact OD1-CA 3.23Å; D913-S1046 WeakPolarHBondContact OD1-CA 3.19Å; D913-S1046 PolarHBondContact OD1-OG 3.25Å; D913-S1046 WeakPolarHBondContact OD2-CB 3.41Å; D913-S1046 PolarHBondContact OD2-OG 3.15Å; H1043-S1046 WeakPolarHBondContact O-CB 3.06Å; H1043-S1046 PolarHBondContact O-N 2.7Å; S1046-N1048 PolarHBondContact O-N 3.19Å; S1046-N1048 PolarHBondContact OG-N 3.08Å; S1046-N1048 VanDerWaalsContact OG-N 3.11Å; S1046-C1049 WeakPolarHBondContact O-CB 3.45Å; S1046-C1049 PolarHBondContact O-N 3.19Å; S1046-C1049 VanDerWaalsContact O-N 3.1Å
1047V92.1Very high84.5Confident9 Ų945.4 Ų45.46%0.05524%0.236CC..THydrogen-bonded Turntrans-58.4-28.1168.1-54.50000111.8L899 K904 T907 D913 A916 C1049L899-V1047 HydrophobicContact CD1-CG1 3.85Å; K904-V1047 HydrophobicContact CB-CB 4.46Å; T907-V1047 HydrophobicContact CG2-CB 4.41Å; T907-V1047 HydrophobicContact CG2-CG2 4.07Å; D913-V1047 WeakPolarHBondContact OD1-CG2 3.26Å; D913-V1047 PolarHBondContact OD1-N 2.95Å; A916-V1047 HydrophobicContact CB-CG1 3.83Å; V1047-C1049 VanDerWaalsContact C-N 3.28Å; V1047-C1049 PolarHBondContact O-N 3.15Å
1048N93.2Very high85.2Confident5 Ų543.7 Ų43.73%0.02723%0.227CC..THydrogen-bonded Turntrans-82.91.8179.3-61-46.8000113.4F911 I1042 S1046 E1050 F1056 F1061 L1077F911-N1048 VanDerWaalsContact C-OD1 3.24Å; F911-N1048 WeakPolarHBondContact CA-OD1 3.4Å; F911-N1048 WeakPolarHBondContact CB-OD1 3.49Å; F911-N1048 PolarHBondContact O-ND2 3.34Å; F911-N1048 PolarHBondContact O-OD1 3.24Å; I1042-N1048 HydrophobicContact CD1-CB 4.46Å; I1042-N1048 HydrophobicContact CG2-CB 4.28Å; S1046-N1048 PolarHBondContact O-N 3.19Å; S1046-N1048 PolarHBondContact OG-N 3.08Å; S1046-N1048 VanDerWaalsContact OG-N 3.11Å; N1048-E1050 PolarHBondContact O-N 3.28Å; N1048-F1056 HydrophobicContact CB-CE1 4.46Å; N1048-F1056 HydrophobicContact CB-CZ 4.24Å; N1048-F1061 HydrophobicContact CB-CE1 4.39Å; N1048-L1077 PolarHBondContact ND2-O 3.05Å
1049C90.9Very high86Confident1 Ų144.4 Ų44.41%0.00723%0.232CC..  trans-83.578.1-173.2-178.10000113.7R898 R1030 I1042 H1043 S1046 V1047R898-C1049 WeakPolarHBondContact CD-O 3.4Å; R898-C1049 PolarHBondContact NH1-O 3.41Å; R1030-C1049 VanDerWaalsContact CD-SG 3.58Å; R1030-C1049 PolarHBondContact NE-SG 3.37Å; I1042-C1049 HydrophobicContact CG2-CB 3.96Å; H1043-C1049 VanDerWaalsContact O-CB 3.31Å; H1043-C1049 WeakPolarHBondContact O-CB 3.48Å; S1046-C1049 WeakPolarHBondContact O-CB 3.45Å; S1046-C1049 PolarHBondContact O-N 3.19Å; S1046-C1049 VanDerWaalsContact O-N 3.1Å; V1047-C1049 VanDerWaalsContact C-N 3.28Å; V1047-C1049 PolarHBondContact O-N 3.15Å
1050E80.8Confident86.5Confident54 Ų5442.7 Ų42.725%0.25222%0.221SC..  trans-97.7150.2-178-146.649.1-94.700116R898 K904 R1030 N1048 V1054R898-E1050 IonicContact NH1-OE1 2.76Å; K904-E1050 IonicContact NZ-OE1 3.26Å; K904-E1050 IonicContact NZ-OE2 3.54Å; K904-E1050 PolarHBondContact NZ-OE2 2.9Å; R1030-E1050 VanDerWaalsContact CG-O 3.24Å; R1030-E1050 WeakPolarHBondContact CG-O 3.46Å; N1048-E1050 PolarHBondContact O-N 3.28Å; E1050-V1054 HydrophobicContact CB-CG2 3.68Å; E1050-V1054 HydrophobicContact CG-CG2 3.73Å
1051S73.8Confident87Confident65 Ų6542.6 Ų42.646%0.45522%0.22SC..SBendtrans-79.9-31.3174.6-69.20000112.9R898 K1029R898-S1051 VanDerWaalsContact CZ-OG 3.31Å; R898-S1051 VanDerWaalsContact NH1-N 3.12Å; R898-S1051 PolarHBondContact NH1-OG 3.07Å; R898-S1051 PolarHBondContact NH2-OG 3.25Å; K1029-S1051 WeakPolarHBondContact CD-O 3.23Å
1052Q78.9Confident87.2Confident150 Ų15040.8 Ų40.870%0.70121%0.211SC*.SBendtrans-88.2170.4-176.2-60.2-176.91.700110.6V1054Q1052-V1054 PolarHBondContact O-N 3.24Å; Q1052-V1054 VanDerWaalsContact O-N 3.14Å
1053N75.9Confident87.3Confident122 Ų12240.9 Ų40.965%0.65221%0.211SC*.  trans-7992.8170.7-81.7-16.3000109.4K1029K1029-N1053 WeakPolarHBondContact CG-OD1 3.48Å; K1029-N1053 PolarHBondContact N-OD1 2.79Å; K1029-N1053 VanDerWaalsContact N-OD1 3.16Å
1054V79.2Confident87.3Confident50 Ų5040.5 Ų40.530%0.30321%0.211SC..  trans-79133.3166.1178.70000108.7H1026 E1050 Q1052 F1056H1026-V1054 PolarHBondContact CE1-O 2.67Å; E1050-V1054 HydrophobicContact CB-CG2 3.68Å; E1050-V1054 HydrophobicContact CG-CG2 3.73Å; Q1052-V1054 PolarHBondContact O-N 3.24Å; Q1052-V1054 VanDerWaalsContact O-N 3.14Å; V1054-F1056 HydrophobicContact CB-CE1 4.46Å; V1054-F1056 HydrophobicContact CB-CZ 4.27Å; V1054-F1056 HydrophobicContact CG1-CD1 3.91Å; V1054-F1056 HydrophobicContact CG1-CE1 3.74Å; V1054-F1056 HydrophobicContact CG1-CE2 4.46Å; V1054-F1056 HydrophobicContact CG1-CG 4.35Å; V1054-F1056 HydrophobicContact CG1-CZ 4.04Å
1055Q82.4Confident87.2Confident168 Ų16839 Ų3979%0.78521%0.205SC*.  trans-100.4100.8170.4-171.11772500108.8
1056F87Confident86.9Confident11 Ų1136.9 Ų36.95%0.04820%0.196CC..  trans-69.2150.2179.4-61-73.1000111.7F911 H1026 N1048 V1054 S1058 F1061 M1079F911-F1056 HydrophobicContact CB-CD1 4.17Å; F911-F1056 HydrophobicContact CB-CE1 4.41Å; F911-F1056 AromaticContact CD1-CD1 3.58Å; F911-F1056 HydrophobicContact CD1-CD1 3.58Å; F911-F1056 AromaticContact CD1-CE1 3.6Å; F911-F1056 HydrophobicContact CD1-CE1 3.6Å; F911-F1056 HydrophobicContact CD2-CD1 4.46Å; F911-F1056 HydrophobicContact CE1-CD1 4.04Å; F911-F1056 HydrophobicContact CE1-CE1 4.16Å; F911-F1056 AromaticContact CG-CD1 3.8Å; F911-F1056 HydrophobicContact CG-CD1 3.8Å; F911-F1056 HydrophobicContact CG-CE1 4.18Å; H1026-F1056 HydrophobicContact CB-CD2 4.44Å; H1026-F1056 AromaticContact CD2-CE2 3.86Å; H1026-F1056 AromaticContact CE1-CD2 3.8Å; H1026-F1056 AromaticContact CE1-CE2 3.61Å; H1026-F1056 AromaticContact CG-CD2 3.91Å; H1026-F1056 AromaticContact CG-CE2 3.9Å; H1026-F1056 AromaticContact ND1-CD2 3.6Å; H1026-F1056 AromaticContact ND1-CE2 3.8Å; H1026-F1056 AromaticContact NE2-CE2 3.67Å; N1048-F1056 HydrophobicContact CB-CE1 4.46Å; N1048-F1056 HydrophobicContact CB-CZ 4.24Å; V1054-F1056 HydrophobicContact CB-CE1 4.46Å; V1054-F1056 HydrophobicContact CB-CZ 4.27Å; V1054-F1056 HydrophobicContact CG1-CD1 3.91Å; V1054-F1056 HydrophobicContact CG1-CE1 3.74Å; V1054-F1056 HydrophobicContact CG1-CE2 4.46Å; V1054-F1056 HydrophobicContact CG1-CG 4.35Å; V1054-F1056 HydrophobicContact CG1-CZ 4.04Å; F1056-S1058 VanDerWaalsContact C-N 3.29Å; F1056-S1058 WeakPolarHBondContact CB-O 3.33Å; F1056-S1058 PolarHBondContact O-N 2.62Å; F1056-F1061 HydrophobicContact CB-CZ 4.33Å; F1056-F1061 AromaticContact CD1-CZ 3.85Å; F1056-F1061 HydrophobicContact CD1-CZ 3.85Å; F1056-F1061 AromaticContact CD2-CE2 3.75Å; F1056-F1061 HydrophobicContact CD2-CE2 3.75Å; F1056-F1061 AromaticContact CD2-CZ 3.68Å; F1056-F1061 HydrophobicContact CD2-CZ 3.68Å; F1056-F1061 AromaticContact CE1-CZ 3.98Å; F1056-F1061 HydrophobicContact CE1-CZ 3.98Å; F1056-F1061 HydrophobicContact CE2-CE2 4.03Å; F1056-F1061 AromaticContact CE2-CZ 3.82Å; F1056-F1061 HydrophobicContact CE2-CZ 3.82Å; F1056-F1061 HydrophobicContact CG-CE2 4.1Å; F1056-F1061 AromaticContact CG-CZ 3.69Å; F1056-F1061 HydrophobicContact CG-CZ 3.69Å; F1056-F1061 AromaticContact CZ-CZ 3.97Å; F1056-F1061 HydrophobicContact CZ-CZ 3.97Å; F1056-M1079 HydrophobicContact CB-SD 4.21Å
1057P85.7Confident86Confident44 Ų4438 Ų3829%0.28620%0.2SC..SBendtrans-52.1-46.2175.1-28.534.2000113F911 M1079 K1178F911-P1057 HydrophobicContact CD2-CG 4.17Å; F911-P1057 HydrophobicContact CE2-CG 3.78Å; P1057-M1079 HydrophobicContact CB-CE 4.08Å; P1057-M1079 HydrophobicContact CB-SD 4.05Å; P1057-M1079 HydrophobicContact CG-CE 4.12Å; P1057-M1079 HydrophobicContact CG-SD 4.13Å; P1057-K1178 PolarHBondContact O-NZ 2.8Å
1058S88.9Confident84.8Confident7 Ų738.9 Ų38.95%0.04920%0.203CC..SBendtrans-117.4138.2165.3178.90000109.2F1056 F1060 M1079 V1080F1056-S1058 VanDerWaalsContact C-N 3.29Å; F1056-S1058 WeakPolarHBondContact CB-O 3.33Å; F1056-S1058 PolarHBondContact O-N 2.62Å; S1058-F1060 VanDerWaalsContact C-N 3.27Å; S1058-F1060 PolarHBondContact O-N 2.88Å; S1058-F1060 PolarHBondContact OG-N 2.81Å; S1058-M1079 PolarHBondContact N-SD 2.96Å; S1058-V1080 VanDerWaalsContact CB-O 3.23Å; S1058-V1080 WeakPolarHBondContact CB-O 3.48Å; S1058-V1080 PolarHBondContact OG-O 3.3Å
1059P91.1Very high83.1Confident19 Ų1941.1 Ų41.112%0.12322%0.217CC..SBendtrans-82-1176.432.7-32.3000113.6Y241 H1026Y241-P1059 HydrophobicContact CE1-CG 4.22Å; Y241-P1059 WeakPolarHBondContact OH-CG 3.45Å; H1026-P1059 HydrophobicContact CB-CB 4.4Å; H1026-P1059 WeakPolarHBondContact CB-O 3.31Å; H1026-P1059 PolarHBondContact N-O 3.34Å
1060F93.6Very high81.5Confident0 Ų042.6 Ų42.60%023%0.232CC..EExtended strand (participates in β ladder)trans-94.3138.4-177.2-65.5-89000112.3V238 Y241 C1024 W1025 S1058 M1079 V1080 H1082 L1085 W1105 L1106V238-F1060 HydrophobicContact CG1-CE1 4.33Å; V238-F1060 HydrophobicContact CG1-CZ 3.92Å; Y241-F1060 AromaticContact CD2-CE2 3.93Å; Y241-F1060 HydrophobicContact CD2-CE2 3.93Å; Y241-F1060 AromaticContact CD2-CZ 3.97Å; Y241-F1060 HydrophobicContact CD2-CZ 3.97Å; Y241-F1060 AromaticContact CE2-CE2 3.6Å; Y241-F1060 HydrophobicContact CE2-CE2 3.6Å; Y241-F1060 AromaticContact CE2-CZ 3.6Å; Y241-F1060 HydrophobicContact CE2-CZ 3.6Å; Y241-F1060 AromaticContact CZ-CE2 3.99Å; C1024-F1060 WeakPolarHBondContact O-CA 3.43Å; W1025-F1060 HydrophobicContact CB-CD1 4.31Å; W1025-F1060 HydrophobicContact CB-CE1 3.98Å; W1025-F1060 AromaticContact CD1-CE1 3.9Å; W1025-F1060 AromaticContact CD1-CZ 3.64Å; W1025-F1060 HydrophobicContact CG-CE1 4.28Å; W1025-F1060 HydrophobicContact CG-CZ 4.4Å; S1058-F1060 VanDerWaalsContact C-N 3.27Å; S1058-F1060 PolarHBondContact O-N 2.88Å; S1058-F1060 PolarHBondContact OG-N 2.81Å; F1060-M1079 WeakPolarHBondContact O-CA 3.49Å; F1060-V1080 HydrophobicContact CB-CG2 4.06Å; F1060-V1080 PolarHBondContact O-N 3.34Å; F1060-H1082 AromaticContact CD2-CD2 3.62Å; F1060-H1082 AromaticContact CD2-NE2 3.56Å; F1060-H1082 AromaticContact CE2-CD2 3.36Å; F1060-H1082 WeakPolarHBondContact CE2-CD2 3.39Å; F1060-H1082 AromaticContact CE2-NE2 3.23Å; F1060-H1082 WeakPolarHBondContact CE2-NE2 3.36Å; F1060-L1085 HydrophobicContact CB-CD1 3.95Å; F1060-L1085 HydrophobicContact CD1-CD1 3.78Å; F1060-L1085 HydrophobicContact CG-CD1 3.9Å; F1060-W1105 AromaticContact CD1-CH2 3.85Å; F1060-W1105 HydrophobicContact CD1-CH2 3.85Å; F1060-W1105 HydrophobicContact CD1-CZ2 4.45Å; F1060-W1105 AromaticContact CE1-CH2 3.65Å; F1060-W1105 HydrophobicContact CE1-CH2 3.65Å; F1060-W1105 HydrophobicContact CE1-CZ2 4.29Å; F1060-W1105 HydrophobicContact CE1-CZ3 4.16Å; F1060-L1106 HydrophobicContact CE1-CD1 3.94Å; F1060-L1106 HydrophobicContact CE1-CD2 3.97Å; F1060-L1106 HydrophobicContact CE2-CD1 4.43Å; F1060-L1106 HydrophobicContact CZ-CD1 3.55Å; F1060-L1106 HydrophobicContact CZ-CD2 4.22Å
1061F95.6Very high80.8Confident0 Ų042.3 Ų42.30%023%0.234CC..EExtended strand (participates in β ladder)trans-134.3134.8177.8-67.2-97.5000110.8F911 V1023 C1024 H1026 N1048 F1056 L1077 S1078 M1079F911-F1061 HydrophobicContact CB-CE1 4.41Å; V1023-F1061 CarbonylContact C-O 3.31Å; V1023-F1061 WeakPolarHBondContact CA-O 3.32Å; C1024-F1061 PolarHBondContact N-O 3.47Å; C1024-F1061 PolarHBondContact O-N 3.02Å; H1026-F1061 HydrophobicContact CB-CD2 4.37Å; H1026-F1061 HydrophobicContact CB-CE2 4.07Å; N1048-F1061 HydrophobicContact CB-CE1 4.39Å; F1056-F1061 HydrophobicContact CB-CZ 4.33Å; F1056-F1061 AromaticContact CD1-CZ 3.85Å; F1056-F1061 HydrophobicContact CD1-CZ 3.85Å; F1056-F1061 AromaticContact CD2-CE2 3.75Å; F1056-F1061 HydrophobicContact CD2-CE2 3.75Å; F1056-F1061 AromaticContact CD2-CZ 3.68Å; F1056-F1061 HydrophobicContact CD2-CZ 3.68Å; F1056-F1061 AromaticContact CE1-CZ 3.98Å; F1056-F1061 HydrophobicContact CE1-CZ 3.98Å; F1056-F1061 HydrophobicContact CE2-CE2 4.03Å; F1056-F1061 AromaticContact CE2-CZ 3.82Å; F1056-F1061 HydrophobicContact CE2-CZ 3.82Å; F1056-F1061 HydrophobicContact CG-CE2 4.1Å; F1056-F1061 AromaticContact CG-CZ 3.69Å; F1056-F1061 HydrophobicContact CG-CZ 3.69Å; F1056-F1061 AromaticContact CZ-CZ 3.97Å; F1056-F1061 HydrophobicContact CZ-CZ 3.97Å; F1061-L1077 HydrophobicContact CB-CB 4.34Å; F1061-L1077 HydrophobicContact CB-CD2 4.17Å; F1061-L1077 HydrophobicContact CD1-CB 3.9Å; F1061-L1077 HydrophobicContact CD1-CD2 4.41Å; F1061-L1077 HydrophobicContact CG-CB 4.43Å; F1061-L1077 HydrophobicContact CG-CD2 4.29Å; F1061-S1078 VanDerWaalsContact CA-O 3.3Å; F1061-S1078 WeakPolarHBondContact CA-O 3.4Å; F1061-M1079 HydrophobicContact CD1-CB 4.03Å; F1061-M1079 HydrophobicContact CE1-CB 3.69Å; F1061-M1079 HydrophobicContact CE1-CG 4.35Å; F1061-M1079 HydrophobicContact CZ-CB 4.2Å; F1061-M1079 HydrophobicContact CZ-CG 4.38Å
1062V95.2Very high81.1Confident0 Ų039.7 Ų39.70%022%0.216CC..EExtended strand (participates in β ladder)trans-85.1149.1157.567.60000109.1L1015 I1016 Y1019 N1022 L1077 S1078 V1080L1015-V1062 HydrophobicContact CB-CG1 4.1Å; L1015-V1062 WeakPolarHBondContact O-CG2 3.49Å; I1016-V1062 HydrophobicContact CG1-CB 4.33Å; I1016-V1062 HydrophobicContact CG1-CG1 4.44Å; Y1019-V1062 HydrophobicContact CD2-CG2 4.19Å; N1022-V1062 WeakPolarHBondContact O-CA 3.36Å; N1022-V1062 WeakPolarHBondContact O-CG2 3.25Å; V1062-L1077 CarbonylContact O-C 3.26Å; V1062-L1077 WeakPolarHBondContact O-CA 3.29Å; V1062-S1078 PolarHBondContact N-O 3.36Å; V1062-S1078 PolarHBondContact O-N 3.37Å; V1062-V1080 HydrophobicContact CB-CG1 4.32Å; V1062-V1080 HydrophobicContact CG1-CG1 3.83Å
1063F93.6Very high81.4Confident1 Ų132.8 Ų32.80%0.00418%0.184CC..EExtended strand (participates in β ladder)trans-142.4153.8179.465.7-97000111.3N1022 C1024 T1034 E1065 K1066 C1074 R1075 Q1076 L1077N1022-F1063 HydrophobicContact CB-CD1 4.33Å; N1022-F1063 HydrophobicContact CB-CD2 3.78Å; N1022-F1063 HydrophobicContact CB-CE1 4.05Å; N1022-F1063 HydrophobicContact CB-CE2 3.44Å; N1022-F1063 VanDerWaalsContact CB-CE2 3.44Å; N1022-F1063 HydrophobicContact CB-CG 4.19Å; N1022-F1063 HydrophobicContact CB-CZ 3.6Å; N1022-F1063 WeakPolarHBondContact CB-O 3.26Å; N1022-F1063 VanDerWaalsContact O-CD1 3.26Å; N1022-F1063 WeakPolarHBondContact O-CD1 3.48Å; N1022-F1063 WeakPolarHBondContact O-CE1 3.49Å; N1022-F1063 PolarHBondContact O-N 3.18Å; C1024-F1063 HydrophobicContact CB-CD1 4.26Å; C1024-F1063 HydrophobicContact CB-CE1 3.98Å; T1034-F1063 HydrophobicContact CG2-CE1 4.15Å; T1034-F1063 HydrophobicContact CG2-CZ 4.09Å; F1063-E1065 WeakPolarHBondContact CD2-O 3.4Å; F1063-K1066 HydrophobicContact CE2-CB 3.81Å; F1063-K1066 HydrophobicContact CZ-CB 4.39Å; F1063-C1074 HydrophobicContact CB-CB 4.02Å; F1063-C1074 HydrophobicContact CD1-CB 3.89Å; F1063-C1074 HydrophobicContact CD2-CB 3.88Å; F1063-C1074 HydrophobicContact CE1-CB 4.33Å; F1063-C1074 VanDerWaalsContact CE1-SG 3.56Å; F1063-C1074 HydrophobicContact CE2-CB 4.34Å; F1063-C1074 HydrophobicContact CG-CB 3.65Å; F1063-R1075 WeakPolarHBondContact CB-O 3.23Å; F1063-Q1076 WeakPolarHBondContact CA-O 3.47Å; F1063-L1077 HydrophobicContact CB-CG 4Å
1064S89.4Confident82Confident13 Ų1327 Ų279%0.09115%0.153CC..EExtended strand (participates in β ladder)trans-80.2-55.9-175.166.10000112.8Y1019 N1022 R1075 Q1076Y1019-S1064 WeakPolarHBondContact OH-CB 3.44Å; N1022-S1064 PolarHBondContact ND2-O 3.37Å; S1064-R1075 PolarHBondContact N-O 2.88Å; S1064-R1075 PolarHBondContact OG-O 2.81Å; S1064-Q1076 WeakPolarHBondContact OG-CB 3.31Å; S1064-Q1076 PolarHBondContact OG-OE1 3.29Å
1065E83.2Confident82.5Confident42 Ų4226.7 Ų26.720%0.19615%0.147CC..EExtended strand (participates in β ladder)trans-115.2132.3-177-64.9-173.711700112F1063 R1075F1063-E1065 WeakPolarHBondContact CD2-O 3.4Å; E1065-R1075 HydrophobicContact CB-CB 4.2Å; E1065-R1075 PolarHBondContact O-N 2.95Å; E1065-R1075 VanDerWaalsContact OE2-CD 3.28Å; E1065-R1075 WeakPolarHBondContact OE2-CD 3.39Å; E1065-R1075 IonicContact OE2-CZ 3.87Å; E1065-R1075 IonicContact OE2-NE 2.74Å; E1065-R1075 IonicContact OE2-NH1 3.25Å; E1065-R1075 PolarHBondContact OE2-NH1 2.91Å
1066K82.6Confident83Confident10 Ų1019.1 Ų19.14%0.04311%0.111CC..EExtended strand (participates in β ladder)trans-90.790159.9-171.5165.456.7-162.80109.2N740 M742 T1034 E1036 F1063 V1072N740-K1066 WeakPolarHBondContact O-CE 3.41Å; N740-K1066 PolarHBondContact O-NZ 3.47Å; M742-K1066 HydrophobicContact CE-CD 4.03Å; M742-K1066 HydrophobicContact CE-CG 4.36Å; M742-K1066 HydrophobicContact CG-CG 4.29Å; T1034-K1066 HydrophobicContact CG2-CD 4.49Å; E1036-K1066 IonicContact OE1-NZ 2.96Å; E1036-K1066 PolarHBondContact OE1-NZ 3.34Å; E1036-K1066 IonicContact OE2-NZ 2.96Å; E1036-K1066 PolarHBondContact OE2-NZ 2.87Å; F1063-K1066 HydrophobicContact CE2-CB 3.81Å; F1063-K1066 HydrophobicContact CZ-CB 4.39Å; K1066-V1072 HydrophobicContact CD-CG1 4.21Å; K1066-V1072 HydrophobicContact CG-CG1 3.68Å
1067M73.3Confident83.3Confident26 Ų2618.6 Ų18.613%0.12811%0.109CC..EExtended strand (participates in β ladder)trans-91.6126-178.769.7-174.2-52.100111.5T1069 A1073 R1075M1067-T1069 HydrophobicContact CE-CG2 3.93Å; M1067-A1073 HydrophobicContact CG-CB 4.09Å; M1067-A1073 WeakPolarHBondContact CG-O 3.42Å; M1067-A1073 PolarHBondContact N-O 3.33Å; M1067-A1073 PolarHBondContact O-N 2.91Å; M1067-R1075 HydrophobicContact SD-CB 4.39Å; M1067-R1075 HydrophobicContact SD-CG 4.46Å
1068R66.8Low83.8Confident28 Ų2816.5 Ų16.511%0.10610%0.095CC..EExtended strand (participates in β ladder)trans-91.8125.3167.4-160.5163-174.7150.2-5.1109.9T133 F201 M742 I743 H744 V1072T133-R1068 PolarHBondContact OG1-NH1 3.03Å; F201-R1068 VanDerWaalsContact CD2-CZ 3.45Å; F201-R1068 HydrophobicContact CE2-CG 4.42Å; F201-R1068 HydrophobicContact CZ-CG 4.17Å; F201-R1068 VanDerWaalsContact CZ-NE 3.27Å; M742-R1068 HydrophobicContact SD-CB 3.84Å; M742-R1068 HydrophobicContact SD-CG 4.39Å; I743-R1068 PolarHBondContact O-N 3.39Å; H744-R1068 HydrophobicContact CB-CB 3.99Å; R1068-V1072 HydrophobicContact CG-CG2 4.26Å
1069T56Low84Confident52 Ų5216.5 Ų16.532%0.3199%0.094SC..SBendtrans-123.7-67.317449.90000111R176 M1067 T1071R176-T1069 WeakPolarHBondContact CD-O 3.48Å; R176-T1069 WeakPolarHBondContact CG-O 3.18Å; R176-T1069 VanDerWaalsContact CZ-O 3.27Å; R176-T1069 PolarHBondContact NE-O 2.93Å; R176-T1069 PolarHBondContact NH1-O 3.49Å; M1067-T1069 HydrophobicContact CE-CG2 3.93Å; T1069-T1071 PolarHBondContact N-O 3.26Å
1070G57.8Low84.1Confident32 Ų3215.6 Ų15.633%0.339%0.089SC..SBendtrans-122.4-61.8163.900000108.6
1071T67.7Low83.9Confident49 Ų4916 Ų1630%0.3019%0.091SC..SBendtrans-78.8158.515446.10000111.3N128 L1041 T1069N128-T1071 WeakPolarHBondContact OD1-CG2 3.33Å; L1041-T1071 HydrophobicContact CD1-CG2 4.25Å; T1069-T1071 PolarHBondContact N-O 3.26Å
1072V78.4Confident83.5Confident10 Ų1017.5 Ų17.56%0.06110%0.098CC..EExtended strand (participates in β ladder)trans-69.6135.7165-176.50000108.9M742 T1038 A1040 L1041 K1066 R1068M742-V1072 HydrophobicContact CE-CG2 4.47Å; T1038-V1072 HydrophobicContact CG2-CG2 4.39Å; A1040-V1072 WeakPolarHBondContact CA-O 3.39Å; A1040-V1072 HydrophobicContact CB-CB 4.07Å; A1040-V1072 HydrophobicContact CB-CG1 3.81Å; L1041-V1072 PolarHBondContact N-O 2.99Å; K1066-V1072 HydrophobicContact CD-CG1 4.21Å; K1066-V1072 HydrophobicContact CG-CG1 3.68Å; R1068-V1072 HydrophobicContact CG-CG2 4.26Å
1073A84.9Confident83.1Confident5 Ų517.5 Ų17.54%0.04110%0.098CC..EExtended strand (participates in β ladder)trans-132.8140.5175.800000112.1L1041 H1043 M1067L1041-A1073 CarbonylContact O-C 3.25Å; L1041-A1073 WeakPolarHBondContact O-CA 3.43Å; L1041-A1073 WeakPolarHBondContact O-CB 3.42Å; H1043-A1073 HydrophobicContact CB-CB 4.48Å; M1067-A1073 HydrophobicContact CG-CB 4.09Å; M1067-A1073 WeakPolarHBondContact CG-O 3.42Å; M1067-A1073 PolarHBondContact N-O 3.33Å; M1067-A1073 PolarHBondContact O-N 2.91Å
1074C90.2Very high82.9Confident0 Ų017.7 Ų17.70%010%0.099CC..EExtended strand (participates in β ladder)trans-91135.9171.4-61.20000108.9L1041 H1043 F1063 L1077L1041-C1074 PolarHBondContact O-N 3.39Å; H1043-C1074 WeakPolarHBondContact CB-O 3.27Å; H1043-C1074 PolarHBondContact N-O 3.47Å; F1063-C1074 HydrophobicContact CB-CB 4.02Å; F1063-C1074 HydrophobicContact CD1-CB 3.89Å; F1063-C1074 HydrophobicContact CD2-CB 3.88Å; F1063-C1074 HydrophobicContact CE1-CB 4.33Å; F1063-C1074 VanDerWaalsContact CE1-SG 3.56Å; F1063-C1074 HydrophobicContact CE2-CB 4.34Å; F1063-C1074 HydrophobicContact CG-CB 3.65Å; C1074-L1077 HydrophobicContact CB-CD1 4.4Å; C1074-L1077 HydrophobicContact CB-CD2 4.21Å; C1074-L1077 HydrophobicContact CB-CG 4.31Å; C1074-L1077 VanDerWaalsContact O-CD1 3.3Å; C1074-L1077 WeakPolarHBondContact O-CD1 3.27Å
1075R89.5Confident82.9Confident44 Ų4417.4 Ų17.417%0.16610%0.096CC..EExtended strand (participates in β ladder)trans-120.5151.9-177-160.5-168.6178.7-172.50.4111.5E888 H1043 F1063 S1064 E1065 M1067E888-R1075 IonicContact OE1-CZ 3.21Å; E888-R1075 IonicContact OE1-NE 3.75Å; E888-R1075 PolarHBondContact OE1-NE 3.36Å; E888-R1075 IonicContact OE1-NH2 2.81Å; E888-R1075 IonicContact OE2-CZ 3.71Å; E888-R1075 IonicContact OE2-NE 2.67Å; E888-R1075 PolarHBondContact OE2-NE 2.92Å; E888-R1075 IonicContact OE2-NH2 3.19Å; E888-R1075 PolarHBondContact OE2-NH2 3.5Å; H1043-R1075 HydrophobicContact CB-CB 4.36Å; H1043-R1075 HydrophobicContact CB-CG 4.31Å; F1063-R1075 WeakPolarHBondContact CB-O 3.23Å; S1064-R1075 PolarHBondContact N-O 2.88Å; S1064-R1075 PolarHBondContact OG-O 2.81Å; E1065-R1075 HydrophobicContact CB-CB 4.2Å; E1065-R1075 PolarHBondContact O-N 2.95Å; E1065-R1075 VanDerWaalsContact OE2-CD 3.28Å; E1065-R1075 WeakPolarHBondContact OE2-CD 3.39Å; E1065-R1075 IonicContact OE2-CZ 3.87Å; E1065-R1075 IonicContact OE2-NE 2.74Å; E1065-R1075 IonicContact OE2-NH1 3.25Å; E1065-R1075 PolarHBondContact OE2-NH1 2.91Å; M1067-R1075 HydrophobicContact SD-CB 4.39Å; M1067-R1075 HydrophobicContact SD-CG 4.46Å
1076Q91.5Very high83.2Confident8 Ų815.4 Ų15.44%0.0379%0.087CC..EExtended strand (participates in β ladder)trans46.270-174.6-58169.5-60.300111.9D913 H914 L917 F1063 S1064D913-Q1076 HydrophobicContact CB-CB 4.23Å; D913-Q1076 WeakPolarHBondContact OD2-CA 3.5Å; H914-Q1076 PolarHBondContact CE1-O 2.94Å; L917-Q1076 HydrophobicContact CD1-CG 4.36Å; F1063-Q1076 WeakPolarHBondContact CA-O 3.47Å; S1064-Q1076 WeakPolarHBondContact OG-CB 3.31Å; S1064-Q1076 PolarHBondContact OG-OE1 3.29Å
1077L95Very high83.5Confident0 Ų015.2 Ų15.20%09%0.086CC..EExtended strand (participates in β ladder)trans-86.5136.7-177.5-60.185000111.2S912 D913 I1042 N1048 F1061 V1062 F1063 C1074S912-L1077 WeakPolarHBondContact CA-O 3.34Å; D913-L1077 PolarHBondContact N-O 3.36Å; D913-L1077 PolarHBondContact OD2-N 3.45Å; I1042-L1077 HydrophobicContact CB-CD2 4.46Å; I1042-L1077 HydrophobicContact CD1-CD2 4.49Å; I1042-L1077 HydrophobicContact CG1-CD2 3.91Å; I1042-L1077 HydrophobicContact CG2-CD1 3.92Å; I1042-L1077 HydrophobicContact CG2-CD2 4.25Å; N1048-L1077 PolarHBondContact ND2-O 3.05Å; F1061-L1077 HydrophobicContact CB-CB 4.34Å; F1061-L1077 HydrophobicContact CB-CD2 4.17Å; F1061-L1077 HydrophobicContact CD1-CB 3.9Å; F1061-L1077 HydrophobicContact CD1-CD2 4.41Å; F1061-L1077 HydrophobicContact CG-CB 4.43Å; F1061-L1077 HydrophobicContact CG-CD2 4.29Å; V1062-L1077 CarbonylContact O-C 3.26Å; V1062-L1077 WeakPolarHBondContact O-CA 3.29Å; F1063-L1077 HydrophobicContact CB-CG 4Å; C1074-L1077 HydrophobicContact CB-CD1 4.4Å; C1074-L1077 HydrophobicContact CB-CD2 4.21Å; C1074-L1077 HydrophobicContact CB-CG 4.31Å; C1074-L1077 VanDerWaalsContact O-CD1 3.3Å; C1074-L1077 WeakPolarHBondContact O-CD1 3.27Å
1078S95.6Very high84.1Confident0 Ų015.1 Ų15.10%09%0.085CC..EExtended strand (participates in β ladder)trans-124.1125.9169.1-69.80000110.7S912 H914 F1061 V1062 V1080S912-S1078 PolarHBondContact OG-OG 3Å; H914-S1078 PolarHBondContact ND1-OG 3.48Å; F1061-S1078 VanDerWaalsContact CA-O 3.3Å; F1061-S1078 WeakPolarHBondContact CA-O 3.4Å; V1062-S1078 PolarHBondContact N-O 3.36Å; V1062-S1078 PolarHBondContact O-N 3.37Å; S1078-V1080 PolarHBondContact O-N 2.9Å
1079M93.8Very high84.7Confident7 Ų714 Ų143%0.0348%0.082CC..EExtended strand (participates in β ladder)trans-63.5132.9176.2-173.4-175.166.400110.6F911 F1056 P1057 S1058 F1060 F1061 M1175F911-M1079 HydrophobicContact CB-CB 3.93Å; F911-M1079 HydrophobicContact CB-SD 4.23Å; F911-M1079 HydrophobicContact CD2-CE 3.97Å; F911-M1079 HydrophobicContact CD2-SD 4.05Å; F911-M1079 HydrophobicContact CG-SD 4.47Å; F911-M1079 PolarHBondContact O-N 2.96Å; F1056-M1079 HydrophobicContact CB-SD 4.21Å; P1057-M1079 HydrophobicContact CB-CE 4.08Å; P1057-M1079 HydrophobicContact CB-SD 4.05Å; P1057-M1079 HydrophobicContact CG-CE 4.12Å; P1057-M1079 HydrophobicContact CG-SD 4.13Å; S1058-M1079 PolarHBondContact N-SD 2.96Å; F1060-M1079 WeakPolarHBondContact O-CA 3.49Å; F1061-M1079 HydrophobicContact CD1-CB 4.03Å; F1061-M1079 HydrophobicContact CE1-CB 3.69Å; F1061-M1079 HydrophobicContact CE1-CG 4.35Å; F1061-M1079 HydrophobicContact CZ-CB 4.2Å; F1061-M1079 HydrophobicContact CZ-CG 4.38Å; M1079-M1175 HydrophobicContact CE-CE 3.44Å; M1079-M1175 VanDerWaalsContact CE-CE 3.44Å; M1079-M1175 HydrophobicContact CE-SD 4Å
1080V92.1Very high86Confident1 Ų111.8 Ų11.81%0.0067%0.07CC..EExtended strand (participates in β ladder)trans-132.5161.8-179.4-65.80000110.9I1016 S1058 F1060 V1062 S1078 Q1084 L1085I1016-V1080 HydrophobicContact CD1-CB 4.01Å; I1016-V1080 HydrophobicContact CD1-CG1 3.85Å; I1016-V1080 HydrophobicContact CD1-CG2 4.41Å; I1016-V1080 HydrophobicContact CG1-CB 4.47Å; I1016-V1080 HydrophobicContact CG1-CG1 3.87Å; S1058-V1080 VanDerWaalsContact CB-O 3.23Å; S1058-V1080 WeakPolarHBondContact CB-O 3.48Å; S1058-V1080 PolarHBondContact OG-O 3.3Å; F1060-V1080 HydrophobicContact CB-CG2 4.06Å; F1060-V1080 PolarHBondContact O-N 3.34Å; V1062-V1080 HydrophobicContact CB-CG1 4.32Å; V1062-V1080 HydrophobicContact CG1-CG1 3.83Å; S1078-V1080 PolarHBondContact O-N 2.9Å; V1080-Q1084 VanDerWaalsContact CA-OE1 3.3Å; V1080-L1085 HydrophobicContact CG2-CD1 4.48Å; V1080-L1085 HydrophobicContact CG2-CD2 4.16Å; V1080-L1085 HydrophobicContact CG2-CG 4.23Å
1081T89.3Confident87.1Confident9 Ų916.4 Ų16.46%0.0558%0.081CC..  trans-109.5161.6-17881.90000112.5L1083 Q1084 L1085 T1174T1081-L1083 PolarHBondContact O-N 3.14Å; T1081-Q1084 WeakPolarHBondContact O-CB 3.41Å; T1081-Q1084 PolarHBondContact O-N 3.35Å; T1081-L1085 PolarHBondContact O-N 3.39Å; T1081-T1174 PolarHBondContact OG1-OG1 3.45Å
1082H87.4Confident87.9Confident30 Ų3015.3 Ų15.314%0.1398%0.075CC..Hα-helixtrans-55.3-35.5-179.4-40.2106.8000113.1Y241 V243 F1060 L1085 L1086 L1108Y241-H1082 AromaticContact CD1-CE1 3.83Å; Y241-H1082 AromaticContact CD1-NE2 3.53Å; Y241-H1082 AromaticContact CD2-NE2 3.89Å; Y241-H1082 AromaticContact CG-CE1 3.98Å; Y241-H1082 AromaticContact CG-NE2 3.44Å; V243-H1082 HydrophobicContact CG2-CB 3.93Å; F1060-H1082 AromaticContact CD2-CD2 3.62Å; F1060-H1082 AromaticContact CD2-NE2 3.56Å; F1060-H1082 AromaticContact CE2-CD2 3.36Å; F1060-H1082 WeakPolarHBondContact CE2-CD2 3.39Å; F1060-H1082 AromaticContact CE2-NE2 3.23Å; F1060-H1082 WeakPolarHBondContact CE2-NE2 3.36Å; H1082-L1085 PolarHBondContact O-N 3.38Å; H1082-L1086 WeakPolarHBondContact O-CB 3.33Å; H1082-L1086 PolarHBondContact O-N 2.69Å; H1082-L1108 HydrophobicContact CB-CD1 4.22Å; H1082-L1108 HydrophobicContact CB-CD2 3.96Å
1083L87.3Confident88.4Confident1 Ų114.8 Ų14.81%0.0057%0.072CC..Hα-helixtrans-74.7-31.9177.7-65.4-175.3000112.8V243 V245 T1081 L1085 L1086 L1087 I1118 I1170 T1174V243-L1083 HydrophobicContact CG1-CD2 3.53Å; V243-L1083 HydrophobicContact CG1-CG 4.05Å; V245-L1083 HydrophobicContact CG2-CD1 4.18Å; V245-L1083 HydrophobicContact CG2-CD2 4.49Å; T1081-L1083 PolarHBondContact O-N 3.14Å; L1083-L1085 VanDerWaalsContact C-N 3.32Å; L1083-L1086 HydrophobicContact CD2-CD2 4.2Å; L1083-L1086 PolarHBondContact O-N 2.72Å; L1083-L1087 WeakPolarHBondContact O-CB 3.16Å; L1083-L1087 PolarHBondContact O-N 3.11Å; L1083-L1087 VanDerWaalsContact O-N 3.15Å; L1083-I1118 HydrophobicContact CD2-CD1 3.99Å; L1083-I1170 HydrophobicContact CB-CG2 3.6Å; L1083-I1170 HydrophobicContact CD1-CG2 3.91Å; L1083-I1170 HydrophobicContact CG-CG2 4.4Å; L1083-T1174 HydrophobicContact CB-CG2 4.24Å; L1083-T1174 HydrophobicContact CD1-CG2 3.65Å; L1083-T1174 HydrophobicContact CG-CG2 3.94Å
1084Q88.3Confident88.7Confident5 Ų516.6 Ų16.62%0.0238%0.08CC..Hα-helixtrans-66.5-37.9171.1-58.3-179.3-87.300110.8T1012 S1013 I1016 V1080 T1081 L1087 F1088 H1171T1012-Q1084 PolarHBondContact OG1-NE2 2.91Å; T1012-Q1084 VanDerWaalsContact OG1-NE2 3.15Å; S1013-Q1084 WeakPolarHBondContact OG-CG 3.38Å; S1013-Q1084 PolarHBondContact OG-NE2 3.29Å; I1016-Q1084 HydrophobicContact CD1-CB 3.46Å; I1016-Q1084 VanDerWaalsContact CD1-CB 3.46Å; V1080-Q1084 VanDerWaalsContact CA-OE1 3.3Å; T1081-Q1084 WeakPolarHBondContact O-CB 3.41Å; T1081-Q1084 PolarHBondContact O-N 3.35Å; Q1084-L1087 PolarHBondContact O-N 2.93Å; Q1084-F1088 PolarHBondContact O-N 2.74Å; Q1084-H1171 PolarHBondContact NE2-CD2 3.3Å; Q1084-H1171 VanDerWaalsContact NE2-CD2 3.28Å; Q1084-H1171 PolarHBondContact NE2-NE2 3.08Å
1085L89.8Confident88.5Confident6 Ų616.8 Ų16.83%0.0318%0.081CC..Hα-helixtrans-68.4-41174.3-68.9174.1000112.6I1016 V1023 F1060 V1080 T1081 H1082 L1083 L1087 G1089 L1102 L1106I1016-L1085 HydrophobicContact CD1-CD2 4.19Å; I1016-L1085 HydrophobicContact CG2-CD2 4.12Å; V1023-L1085 HydrophobicContact CB-CD2 4.42Å; V1023-L1085 HydrophobicContact CG1-CD1 4.19Å; V1023-L1085 HydrophobicContact CG1-CD2 3.72Å; V1023-L1085 HydrophobicContact CG2-CD2 3.82Å; F1060-L1085 HydrophobicContact CB-CD1 3.95Å; F1060-L1085 HydrophobicContact CD1-CD1 3.78Å; F1060-L1085 HydrophobicContact CG-CD1 3.9Å; V1080-L1085 HydrophobicContact CG2-CD1 4.48Å; V1080-L1085 HydrophobicContact CG2-CD2 4.16Å; V1080-L1085 HydrophobicContact CG2-CG 4.23Å; T1081-L1085 PolarHBondContact O-N 3.39Å; H1082-L1085 PolarHBondContact O-N 3.38Å; L1083-L1085 VanDerWaalsContact C-N 3.32Å; L1085-L1087 PolarHBondContact O-N 3.04Å; L1085-G1089 CarbonylContact O-C 3.47Å; L1085-G1089 VanDerWaalsContact O-C 3.31Å; L1085-G1089 WeakPolarHBondContact O-CA 3.28Å; L1085-G1089 PolarHBondContact O-N 2.73Å; L1085-L1102 HydrophobicContact CB-CD2 4.36Å; L1085-L1106 HydrophobicContact CD1-CD2 3.91Å
1086L90.2Very high88.3Confident0 Ų016.4 Ų16.40%08%0.084CC..Hα-helixtrans-63.9-23.9175.6-177.261.8000113H1082 L1083 V1093 V1100 L1102 M1110 A1115 I1118 V1119 R1122H1082-L1086 WeakPolarHBondContact O-CB 3.33Å; H1082-L1086 PolarHBondContact O-N 2.69Å; L1083-L1086 HydrophobicContact CD2-CD2 4.2Å; L1083-L1086 PolarHBondContact O-N 2.72Å; L1086-V1093 HydrophobicContact CD1-CG1 3.82Å; L1086-V1093 HydrophobicContact CD1-CG2 4.35Å; L1086-V1100 HydrophobicContact CD1-CG1 4.17Å; L1086-L1102 HydrophobicContact CB-CD2 4.34Å; L1086-L1102 HydrophobicContact CD1-CD1 4.21Å; L1086-L1102 HydrophobicContact CD1-CD2 4.36Å; L1086-L1102 HydrophobicContact CD1-CG 4.4Å; L1086-M1110 HydrophobicContact CD2-CE 3.96Å; L1086-M1110 HydrophobicContact CD2-SD 3.79Å; L1086-A1115 HydrophobicContact CD2-CB 4.43Å; L1086-I1118 HydrophobicContact CD2-CB 4.23Å; L1086-I1118 HydrophobicContact CD2-CG2 3.93Å; L1086-I1118 HydrophobicContact CG-CG2 3.96Å; L1086-V1119 HydrophobicContact CD1-CG2 3.79Å; L1086-V1119 HydrophobicContact CG-CG2 4.33Å; L1086-R1122 PolarHBondContact O-NE 2.88Å; L1086-R1122 PolarHBondContact O-NH2 2.98Å
1087L87.7Confident87.9Confident6 Ų622.9 Ų22.93%0.03112%0.119CC..Hα-helixtrans-99.4-45.4-178.7-175.355.4000114.2L1083 Q1084 L1085 I1118 L1121 R1122 L1167 I1170L1083-L1087 WeakPolarHBondContact O-CB 3.16Å; L1083-L1087 PolarHBondContact O-N 3.11Å; L1083-L1087 VanDerWaalsContact O-N 3.15Å; Q1084-L1087 PolarHBondContact O-N 2.93Å; L1085-L1087 PolarHBondContact O-N 3.04Å; L1087-I1118 HydrophobicContact CB-CG2 4.34Å; L1087-I1118 WeakPolarHBondContact CD1-O 3.21Å; L1087-L1121 HydrophobicContact CD1-CB 3.71Å; L1087-R1122 HydrophobicContact CD1-CG 4.2Å; L1087-R1122 WeakPolarHBondContact O-CG 3.3Å; L1087-L1167 HydrophobicContact CD2-CD2 3.28Å; L1087-I1170 HydrophobicContact CD2-CD1 4.43Å
1088F86.5Confident87.4Confident24 Ų2426.4 Ų26.411%0.10514%0.138CC..Hα-helixtrans-113.21.9-172.6-68.7-79000114.7F871 S1013 L1014 I1016 A1017 Q1084 V1125 L1167F871-F1088 HydrophobicContact CE2-CZ 4.42Å; S1013-F1088 VanDerWaalsContact CB-CD2 3.47Å; S1013-F1088 WeakPolarHBondContact OG-CD2 3.49Å; L1014-F1088 HydrophobicContact CD2-CE1 4.32Å; I1016-F1088 HydrophobicContact CB-CB 4Å; I1016-F1088 HydrophobicContact CG2-CB 4.29Å; I1016-F1088 WeakPolarHBondContact CG2-O 3.28Å; A1017-F1088 HydrophobicContact CB-CD1 4.23Å; Q1084-F1088 PolarHBondContact O-N 2.74Å; F1088-V1125 HydrophobicContact CE1-CG1 4.16Å; F1088-V1125 HydrophobicContact CE1-CG2 4.31Å; F1088-V1125 HydrophobicContact CZ-CG2 4.48Å; F1088-L1167 HydrophobicContact CE2-CD2 3.79Å; F1088-L1167 HydrophobicContact CZ-CD1 4.45Å; F1088-L1167 HydrophobicContact CZ-CD2 3.93Å
1089G79.8Confident87.1Confident4 Ų427.8 Ų27.84%0.04115%0.145CC..  trans-129.9-178.6174.400000112.3L1085 R1122L1085-G1089 CarbonylContact O-C 3.47Å; L1085-G1089 VanDerWaalsContact O-C 3.31Å; L1085-G1089 WeakPolarHBondContact O-CA 3.28Å; L1085-G1089 PolarHBondContact O-N 2.73Å; G1089-R1122 VanDerWaalsContact O-CZ 3.29Å; G1089-R1122 PolarHBondContact O-NH1 3.19Å; G1089-R1122 PolarHBondContact O-NH2 3.34Å
1090A83.1Confident87Confident7 Ų727.4 Ų27.46%0.05814%0.143CC..  trans67.7126.7-174.500000114.6Y1020 S1092 V1093 L1102 D1103 R1122Y1020-A1090 VanDerWaalsContact CE1-N 3.35Å; Y1020-A1090 VanDerWaalsContact CE2-N 3.32Å; Y1020-A1090 VanDerWaalsContact CZ-CA 3.49Å; Y1020-A1090 VanDerWaalsContact OH-CA 3.25Å; Y1020-A1090 WeakPolarHBondContact OH-CA 3.48Å; Y1020-A1090 PolarHBondContact OH-N 3.26Å; A1090-S1092 WeakPolarHBondContact CB-O 3.46Å; A1090-V1093 HydrophobicContact CB-CG2 4.31Å; A1090-L1102 HydrophobicContact CB-CB 3.84Å; A1090-L1102 HydrophobicContact CB-CD2 4.22Å; A1090-L1102 HydrophobicContact CB-CG 4.19Å; A1090-D1103 WeakPolarHBondContact CA-OD2 3.48Å; A1090-D1103 HydrophobicContact CB-CB 4.48Å; A1090-R1122 PolarHBondContact O-NH1 2.9Å
1091K80.3Confident86.9Confident128 Ų12828 Ų2856%0.55715%0.147SC*.SBendtrans-75.3-27.5170.3-79.9-161.9162.1-149.50112.1I278 D835 D1103I278-K1091 WeakPolarHBondContact CD1-O 3.42Å; D835-K1091 IonicContact OD2-NZ 3.67Å; D835-K1091 PolarHBondContact OD2-NZ 3.23Å; K1091-D1103 VanDerWaalsContact N-CG 3.34Å; K1091-D1103 PolarHBondContact N-OD1 2.87Å; K1091-D1103 PolarHBondContact N-OD2 3.01Å
1092S85.2Confident86.9Confident26 Ų2627.6 Ų27.618%0.18214%0.144CC..  trans-127.2140.2-178.262.10000110.4A1090 D1103A1090-S1092 WeakPolarHBondContact CB-O 3.46Å; S1092-D1103 PolarHBondContact N-OD1 3.03Å; S1092-D1103 PolarHBondContact O-N 2.88Å; S1092-D1103 VanDerWaalsContact OG-CA 3.27Å; S1092-D1103 WeakPolarHBondContact OG-CA 3.31Å; S1092-D1103 PolarHBondContact OG-N 2.96Å; S1092-D1103 PolarHBondContact OG-OD1 3Å
1093V89.4Confident86.8Confident0 Ų027.5 Ų27.50%015%0.145CC..EExtended strand (participates in β ladder)trans-137.8108.4168.8-174.30000107.4L277 I278 L1086 A1090 V1100 V1101 L1102 V1119L277-V1093 HydrophobicContact CB-CG1 4.34Å; L277-V1093 HydrophobicContact CD1-CG1 4.22Å; L277-V1093 PolarHBondContact N-O 2.7Å; I278-V1093 HydrophobicContact CD1-CB 4.44Å; I278-V1093 HydrophobicContact CD1-CG2 4.21Å; I278-V1093 HydrophobicContact CG1-CB 4.18Å; I278-V1093 HydrophobicContact CG1-CG2 4.28Å; L1086-V1093 HydrophobicContact CD1-CG1 3.82Å; L1086-V1093 HydrophobicContact CD1-CG2 4.35Å; A1090-V1093 HydrophobicContact CB-CG2 4.31Å; V1093-V1100 HydrophobicContact CG1-CG1 3.56Å; V1093-V1101 CarbonylContact C-O 3.49Å; V1093-V1101 WeakPolarHBondContact CA-O 3.29Å; V1093-L1102 HydrophobicContact CG2-CG 4.32Å; V1093-V1119 HydrophobicContact CB-CG2 4.23Å; V1093-V1119 HydrophobicContact CG1-CG2 4.03Å; V1093-V1119 HydrophobicContact CG2-CG2 4.18Å
1094E89.9Confident86.6Confident43 Ų4332.4 Ų32.420%0.20117%0.171CC..EExtended strand (participates in β ladder)trans-111.9150.1-176.5-69.3177.7-126.100111.2S274 V275 V1100 V1101S274-E1094 WeakPolarHBondContact CB-OE2 3.49Å; S274-E1094 PolarHBondContact OG-OE2 3.13Å; V275-E1094 CarbonylContact O-C 3.49Å; V275-E1094 WeakPolarHBondContact O-CA 3.49Å; E1094-V1100 CarbonylContact O-C 3.56Å; E1094-V1100 WeakPolarHBondContact O-CA 3.44Å; E1094-V1101 PolarHBondContact N-O 3.39Å; E1094-V1101 PolarHBondContact O-N 3.25Å
1095L87.9Confident86.4Confident4 Ų433.6 Ų33.62%0.02118%0.175CC..EExtended strand (participates in β ladder)trans-96.7118.6165-17968.8000109.2A267 S274 V275 L277 V1100 P1112A267-L1095 HydrophobicContact CB-CD2 4.29Å; S274-L1095 WeakPolarHBondContact CA-O 3.47Å; V275-L1095 HydrophobicContact CB-CB 4.44Å; V275-L1095 PolarHBondContact N-O 2.82Å; V275-L1095 PolarHBondContact O-N 3.05Å; L277-L1095 HydrophobicContact CD2-CB 4.27Å; L1095-V1100 HydrophobicContact CD1-CG2 4.41Å; L1095-P1112 HydrophobicContact CD1-CB 3.92Å; L1095-P1112 HydrophobicContact CD1-CG 3.78Å; L1095-P1112 HydrophobicContact CD2-CB 3.96Å; L1095-P1112 HydrophobicContact CD2-CG 4.25Å
1096C84.8Confident86.4Confident36 Ų3633.3 Ų33.324%0.24317%0.174CC..EExtended strand (participates in β ladder)trans-137127.5177.3-49.60000109.2S274 D1098 L1099 V1101S274-C1096 WeakPolarHBondContact CB-SG 3.5Å; C1096-D1098 VanDerWaalsContact C-N 3.32Å; C1096-D1098 PolarHBondContact O-N 3.4Å; C1096-L1099 PolarHBondContact N-O 2.95Å; C1096-L1099 WeakPolarHBondContact O-CA 3.29Å; C1096-L1099 WeakPolarHBondContact O-CB 3.42Å; C1096-L1099 PolarHBondContact O-N 3.46Å; C1096-L1099 VanDerWaalsContact O-O 3.11Å; C1096-V1101 HydrophobicContact CB-CG2 4.17Å
1097D83Confident86.4Confident144 Ų14436.2 Ų36.277%0.7719%0.187SC*.THydrogen-bonded Turntrans50.244.4177.9-58.2-35.5000114.4L1099D1097-L1099 PolarHBondContact O-N 3.14Å; D1097-L1099 VanDerWaalsContact O-N 3.11Å
1098D83.3Confident86.6Confident74 Ų7436 Ų3640%0.39619%0.185SC..THydrogen-bonded Turntrans56.518.7-172.8-73-50.7000115.1S269 C1096S269-D1098 WeakPolarHBondContact CA-OD1 3.41Å; S269-D1098 WeakPolarHBondContact CB-OD1 3.5Å; S269-D1098 PolarHBondContact OG-OD1 3.04Å; C1096-D1098 VanDerWaalsContact C-N 3.32Å; C1096-D1098 PolarHBondContact O-N 3.4Å
1099L90Very high86.9Confident28 Ų2840.7 Ų40.715%0.14720%0.202CC..EExtended strand (participates in β ladder)trans-111.2139.5171.8-60175.2000110.8I240 C1096 D1097 R1109I240-L1099 HydrophobicContact CD1-CD1 3.75Å; I240-L1099 HydrophobicContact CG1-CD1 4.26Å; I240-L1099 HydrophobicContact CG2-CD2 3.94Å; C1096-L1099 PolarHBondContact N-O 2.95Å; C1096-L1099 WeakPolarHBondContact O-CA 3.29Å; C1096-L1099 WeakPolarHBondContact O-CB 3.42Å; C1096-L1099 PolarHBondContact O-N 3.46Å; C1096-L1099 VanDerWaalsContact O-O 3.11Å; D1097-L1099 PolarHBondContact O-N 3.14Å; D1097-L1099 VanDerWaalsContact O-N 3.11Å; L1099-R1109 HydrophobicContact CD2-CB 3.82Å; L1099-R1109 HydrophobicContact CD2-CG 4.16Å
1100V91Very high87.4Confident0 Ų041.3 Ų41.30%020%0.204CC..EExtended strand (participates in β ladder)trans-89.9114.3173.7-179.40000108L277 L1086 V1093 E1094 L1095 L1102 L1108 M1110 A1115L277-V1100 HydrophobicContact CD1-CG1 4.16Å; L277-V1100 HydrophobicContact CD1-CG2 4.34Å; L1086-V1100 HydrophobicContact CD1-CG1 4.17Å; V1093-V1100 HydrophobicContact CG1-CG1 3.56Å; E1094-V1100 CarbonylContact O-C 3.56Å; E1094-V1100 WeakPolarHBondContact O-CA 3.44Å; L1095-V1100 HydrophobicContact CD1-CG2 4.41Å; V1100-L1102 HydrophobicContact CG1-CD1 4.14Å; V1100-L1108 HydrophobicContact CB-CB 4.4Å; V1100-L1108 PolarHBondContact N-O 2.93Å; V1100-L1108 PolarHBondContact O-N 3.03Å; V1100-M1110 HydrophobicContact CB-CG 4.47Å; V1100-M1110 HydrophobicContact CG2-CG 3.94Å; V1100-A1115 HydrophobicContact CB-CB 4.44Å; V1100-A1115 HydrophobicContact CG1-CB 4.06Å; V1100-A1115 HydrophobicContact CG2-CB 3.62Å
1101V90.4Very high87.7Confident12 Ų1243.8 Ų43.87%0.07322%0.221CC..EExtended strand (participates in β ladder)trans-106.7123.9-173.7-172.10000109.6V1093 E1094 C1096 L1106 K1107V1093-V1101 CarbonylContact C-O 3.49Å; V1093-V1101 WeakPolarHBondContact CA-O 3.29Å; E1094-V1101 PolarHBondContact N-O 3.39Å; E1094-V1101 PolarHBondContact O-N 3.25Å; C1096-V1101 HydrophobicContact CB-CG2 4.17Å; V1101-L1106 WeakPolarHBondContact CA-O 3.4Å; V1101-K1107 HydrophobicContact CG2-CG 4.37Å
1102L89.9Confident88.1Confident2 Ų238.3 Ų38.31%0.0120%0.199CC..EExtended strand (participates in β ladder)trans-105.5127.4177.3-68.471.7000108.9L1085 L1086 A1090 V1093 V1100 N1104 W1105 L1106 L1108L1085-L1102 HydrophobicContact CB-CD2 4.36Å; L1086-L1102 HydrophobicContact CB-CD2 4.34Å; L1086-L1102 HydrophobicContact CD1-CD1 4.21Å; L1086-L1102 HydrophobicContact CD1-CD2 4.36Å; L1086-L1102 HydrophobicContact CD1-CG 4.4Å; A1090-L1102 HydrophobicContact CB-CB 3.84Å; A1090-L1102 HydrophobicContact CB-CD2 4.22Å; A1090-L1102 HydrophobicContact CB-CG 4.19Å; V1093-L1102 HydrophobicContact CG2-CG 4.32Å; V1100-L1102 HydrophobicContact CG1-CD1 4.14Å; L1102-N1104 PolarHBondContact O-N 3.44Å; L1102-W1105 PolarHBondContact O-N 2.88Å; L1102-W1105 VanDerWaalsContact O-N 3.09Å; L1102-L1106 HydrophobicContact CB-CB 4.31Å; L1102-L1106 HydrophobicContact CD2-CD2 4.39Å; L1102-L1106 PolarHBondContact N-O 3.37Å; L1102-L1106 PolarHBondContact O-N 3.01Å; L1102-L1108 HydrophobicContact CD1-CD1 3.73Å; L1102-L1108 HydrophobicContact CD1-CG 3.99Å
1103D85.4Confident88.3Confident27 Ų2739.5 Ų39.514%0.14421%0.205CC..THydrogen-bonded Turntrans39.843178.5-759.3000114.2Y1020 L1035 A1090 K1091 S1092 W1105Y1020-D1103 WeakPolarHBondContact CE1-OD2 3.33Å; Y1020-D1103 PolarHBondContact OH-OD2 3.49Å; L1035-D1103 HydrophobicContact CD1-CB 4.13Å; L1035-D1103 HydrophobicContact CD2-CB 4.23Å; A1090-D1103 WeakPolarHBondContact CA-OD2 3.48Å; A1090-D1103 HydrophobicContact CB-CB 4.48Å; K1091-D1103 VanDerWaalsContact N-CG 3.34Å; K1091-D1103 PolarHBondContact N-OD1 2.87Å; K1091-D1103 PolarHBondContact N-OD2 3.01Å; S1092-D1103 PolarHBondContact N-OD1 3.03Å; S1092-D1103 PolarHBondContact O-N 2.88Å; S1092-D1103 VanDerWaalsContact OG-CA 3.27Å; S1092-D1103 WeakPolarHBondContact OG-CA 3.31Å; S1092-D1103 PolarHBondContact OG-N 2.96Å; S1092-D1103 PolarHBondContact OG-OD1 3Å; D1103-W1105 PolarHBondContact O-N 3.48Å
1104N82.6Confident88.3Confident104 Ų10439.9 Ų39.956%0.55621%0.207SC*.THydrogen-bonded Turntrans50.423.1178.5-75.7-57000115.9L1102L1102-N1104 PolarHBondContact O-N 3.44Å
1105W84.7Confident88.3Confident30 Ų3037.8 Ų37.811%0.11420%0.197CC..THydrogen-bonded Turntrans-132.9-33.8-176.984.7-70.9000114.8V238 V1023 W1025 L1035 F1060 L1102 D1103V238-W1105 HydrophobicContact CG2-CE3 3.7Å; V238-W1105 HydrophobicContact CG2-CZ3 3.87Å; V1023-W1105 HydrophobicContact CG1-CH2 4.03Å; V1023-W1105 HydrophobicContact CG1-CZ2 3.91Å; W1025-W1105 HydrophobicContact CB-CH2 4.34Å; W1025-W1105 HydrophobicContact CB-CZ3 3.89Å; L1035-W1105 HydrophobicContact CD1-CD2 4.42Å; L1035-W1105 HydrophobicContact CD1-CG 4.39Å; L1035-W1105 HydrophobicContact CD1-CZ2 4.32Å; L1035-W1105 VanDerWaalsContact CD1-NE1 3.29Å; L1035-W1105 HydrophobicContact CG-CD2 4.11Å; L1035-W1105 HydrophobicContact CG-CG 3.97Å; F1060-W1105 AromaticContact CD1-CH2 3.85Å; F1060-W1105 HydrophobicContact CD1-CH2 3.85Å; F1060-W1105 HydrophobicContact CD1-CZ2 4.45Å; F1060-W1105 AromaticContact CE1-CH2 3.65Å; F1060-W1105 HydrophobicContact CE1-CH2 3.65Å; F1060-W1105 HydrophobicContact CE1-CZ2 4.29Å; F1060-W1105 HydrophobicContact CE1-CZ3 4.16Å; L1102-W1105 PolarHBondContact O-N 2.88Å; L1102-W1105 VanDerWaalsContact O-N 3.09Å; D1103-W1105 PolarHBondContact O-N 3.48Å
1106L88.6Confident88.4Confident0 Ų037.6 Ų37.60%020%0.196CC..EExtended strand (participates in β ladder)trans-112.2112.3-177.117356.3000110.6V238 Y241 F1060 L1085 V1101 L1102 L1108V238-L1106 HydrophobicContact CG1-CD1 4.19Å; Y241-L1106 HydrophobicContact CD2-CD1 4.1Å; F1060-L1106 HydrophobicContact CE1-CD1 3.94Å; F1060-L1106 HydrophobicContact CE1-CD2 3.97Å; F1060-L1106 HydrophobicContact CE2-CD1 4.43Å; F1060-L1106 HydrophobicContact CZ-CD1 3.55Å; F1060-L1106 HydrophobicContact CZ-CD2 4.22Å; L1085-L1106 HydrophobicContact CD1-CD2 3.91Å; V1101-L1106 WeakPolarHBondContact CA-O 3.4Å; L1102-L1106 HydrophobicContact CB-CB 4.31Å; L1102-L1106 HydrophobicContact CD2-CD2 4.39Å; L1102-L1106 PolarHBondContact N-O 3.37Å; L1102-L1106 PolarHBondContact O-N 3.01Å; L1106-L1108 HydrophobicContact CD1-CD2 3.8Å; L1106-L1108 HydrophobicContact CD2-CD2 4.34Å; L1106-L1108 HydrophobicContact CG-CD2 3.93Å; L1106-L1108 HydrophobicContact CG-CG 4.35Å
1107K91.9Very high88.6Confident62 Ų6236.8 Ų36.827%0.2719%0.189SC..EExtended strand (participates in β ladder)trans-99.4120.3-179.2-59.8171.7-179174.40110.1E237 I240 Y241 V1101E237-K1107 IonicContact OE2-NZ 3.95Å; E237-K1107 PolarHBondContact OE2-NZ 3.19Å; I240-K1107 WeakPolarHBondContact CA-O 3.39Å; I240-K1107 HydrophobicContact CG1-CB 3.94Å; I240-K1107 HydrophobicContact CG1-CD 4.33Å; Y241-K1107 PolarHBondContact N-O 3.45Å; Y241-K1107 VanDerWaalsContact N-O 3.1Å; V1101-K1107 HydrophobicContact CG2-CG 4.37Å
1108L90.9Very high88.9Confident0 Ų030 Ų300%015%0.152CC..EExtended strand (participates in β ladder)trans-113134.4178.7-54.5-177.8000110.5Y241 V243 H1082 V1100 L1102 L1106 M1110Y241-L1108 WeakPolarHBondContact O-CA 3.37Å; V243-L1108 HydrophobicContact CG2-CB 4.42Å; V243-L1108 HydrophobicContact CG2-CD1 4.42Å; V243-L1108 HydrophobicContact CG2-CD2 4.08Å; H1082-L1108 HydrophobicContact CB-CD1 4.22Å; H1082-L1108 HydrophobicContact CB-CD2 3.96Å; V1100-L1108 HydrophobicContact CB-CB 4.4Å; V1100-L1108 PolarHBondContact N-O 2.93Å; V1100-L1108 PolarHBondContact O-N 3.03Å; L1102-L1108 HydrophobicContact CD1-CD1 3.73Å; L1102-L1108 HydrophobicContact CD1-CG 3.99Å; L1106-L1108 HydrophobicContact CD1-CD2 3.8Å; L1106-L1108 HydrophobicContact CD2-CD2 4.34Å; L1106-L1108 HydrophobicContact CG-CD2 3.93Å; L1106-L1108 HydrophobicContact CG-CG 4.35Å; L1108-M1110 HydrophobicContact CD1-SD 4.47Å
1109R92.3Very high89.1Confident123 Ų12326.6 Ų26.646%0.46413%0.134SC..EExtended strand (participates in β ladder)trans-97.7109.6169.7-171.3-176.2-63.1118.7-4.5109.2I240 Y241 D242 V243 L1099I240-R1109 HydrophobicContact CG2-CB 4.09Å; Y241-R1109 PolarHBondContact O-N 3.46Å; D242-R1109 WeakPolarHBondContact OD1-CD 3.12Å; D242-R1109 IonicContact OD1-CZ 3.08Å; D242-R1109 IonicContact OD1-NE 2.85Å; D242-R1109 IonicContact OD1-NH1 2.6Å; D242-R1109 PolarHBondContact OD1-NH1 3Å; D242-R1109 IonicContact OD2-NH1 3.2Å; V243-R1109 PolarHBondContact N-O 3.16Å; L1099-R1109 HydrophobicContact CD2-CB 3.82Å; L1099-R1109 HydrophobicContact CD2-CG 4.16Å
1110M90.8Very high89Confident18 Ų1825.4 Ų25.49%0.08913%0.128CC..SBendtrans-158170.417961.2-174.9-69.100110.5V243 L1086 V1100 L1108 P1112 V1114 A1115 I1118V243-M1110 HydrophobicContact CB-CB 4.12Å; V243-M1110 HydrophobicContact CB-SD 4.27Å; V243-M1110 HydrophobicContact CG1-CE 4.44Å; V243-M1110 HydrophobicContact CG1-SD 4.09Å; V243-M1110 WeakPolarHBondContact O-CB 3.16Å; L1086-M1110 HydrophobicContact CD2-CE 3.96Å; L1086-M1110 HydrophobicContact CD2-SD 3.79Å; V1100-M1110 HydrophobicContact CB-CG 4.47Å; V1100-M1110 HydrophobicContact CG2-CG 3.94Å; L1108-M1110 HydrophobicContact CD1-SD 4.47Å; M1110-P1112 WeakPolarHBondContact O-CD 3.39Å; M1110-V1114 HydrophobicContact CE-CB 4.22Å; M1110-V1114 HydrophobicContact CE-CG1 3.82Å; M1110-A1115 HydrophobicContact CE-CB 3.89Å; M1110-A1115 HydrophobicContact CG-CB 4.29Å; M1110-A1115 HydrophobicContact SD-CB 4.04Å; M1110-I1118 HydrophobicContact CE-CD1 4.4Å
1111S89.6Confident88.8Confident58 Ų5825.4 Ų25.441%0.40613%0.128SC..  trans-58.6124.2172.3169.10000110.6V1113 V1114 A1115S1111-V1113 VanDerWaalsContact C-N 3.28Å; S1111-V1113 PolarHBondContact O-N 3.32Å; S1111-V1114 PolarHBondContact O-N 2.67Å; S1111-V1114 VanDerWaalsContact O-N 3.16Å; S1111-V1114 PolarHBondContact OG-N 2.96Å; S1111-A1115 PolarHBondContact O-N 3.03Å
1112P88.4Confident88.6Confident13 Ų1326.8 Ų26.88%0.08413%0.132CC..Hα-helixtrans-59.6-38.5177.9-26.135.9000112.7A267 L1095 M1110 V1114 A1115 A1116A267-P1112 HydrophobicContact CB-CB 3.64Å; L1095-P1112 HydrophobicContact CD1-CB 3.92Å; L1095-P1112 HydrophobicContact CD1-CG 3.78Å; L1095-P1112 HydrophobicContact CD2-CB 3.96Å; L1095-P1112 HydrophobicContact CD2-CG 4.25Å; M1110-P1112 WeakPolarHBondContact O-CD 3.39Å; P1112-V1114 PolarHBondContact O-N 3.26Å; P1112-A1115 WeakPolarHBondContact O-CB 3.45Å; P1112-A1115 PolarHBondContact O-N 3.25Å; P1112-A1116 PolarHBondContact O-N 3.18Å
1113V89Confident88.1Confident51 Ų5129 Ų2931%0.30914%0.14SC..Hα-helixtrans-61.1-42.7175.9177.20000111.3Y264 S1111 A1115 A1116 K1117Y264-V1113 HydrophobicContact CE2-CG1 4.3Å; S1111-V1113 VanDerWaalsContact C-N 3.28Å; S1111-V1113 PolarHBondContact O-N 3.32Å; V1113-A1115 VanDerWaalsContact C-N 3.34Å; V1113-A1116 PolarHBondContact O-N 3.1Å; V1113-K1117 HydrophobicContact CG1-CD 4.38Å; V1113-K1117 VanDerWaalsContact O-CG 3.31Å; V1113-K1117 WeakPolarHBondContact O-CG 3.38Å; V1113-K1117 PolarHBondContact O-N 2.95Å
1114V89.5Confident87.8Confident8 Ų827.8 Ų27.85%0.04813%0.134CC..Hα-helixtrans-66.6-37.7176.31760000111.3V245 E250 M1110 S1111 P1112 I1118V245-V1114 HydrophobicContact CB-CG1 3.85Å; V245-V1114 HydrophobicContact CG1-CG1 4.3Å; V245-V1114 HydrophobicContact CG2-CG1 3.6Å; E250-V1114 HydrophobicContact CG-CG2 4.07Å; E250-V1114 VanDerWaalsContact OE2-CG2 3.28Å; E250-V1114 WeakPolarHBondContact OE2-CG2 3.22Å; M1110-V1114 HydrophobicContact CE-CB 4.22Å; M1110-V1114 HydrophobicContact CE-CG1 3.82Å; S1111-V1114 PolarHBondContact O-N 2.67Å; S1111-V1114 VanDerWaalsContact O-N 3.16Å; S1111-V1114 PolarHBondContact OG-N 2.96Å; P1112-V1114 PolarHBondContact O-N 3.26Å; V1114-I1118 HydrophobicContact CG1-CD1 4Å; V1114-I1118 WeakPolarHBondContact O-CG1 3.39Å; V1114-I1118 PolarHBondContact O-N 3.14Å
1115A89.9Confident87.6Confident0 Ų023.4 Ų23.40%011%0.111CC..Hα-helixtrans-65.6-45.8175.900000111.6L277 L1086 V1100 M1110 S1111 P1112 V1113 K1117 I1118 V1119L277-A1115 HydrophobicContact CD1-CB 3.85Å; L1086-A1115 HydrophobicContact CD2-CB 4.43Å; V1100-A1115 HydrophobicContact CB-CB 4.44Å; V1100-A1115 HydrophobicContact CG1-CB 4.06Å; V1100-A1115 HydrophobicContact CG2-CB 3.62Å; M1110-A1115 HydrophobicContact CE-CB 3.89Å; M1110-A1115 HydrophobicContact CG-CB 4.29Å; M1110-A1115 HydrophobicContact SD-CB 4.04Å; S1111-A1115 PolarHBondContact O-N 3.03Å; P1112-A1115 WeakPolarHBondContact O-CB 3.45Å; P1112-A1115 PolarHBondContact O-N 3.25Å; V1113-A1115 VanDerWaalsContact C-N 3.34Å; A1115-K1117 PolarHBondContact O-N 3.36Å; A1115-I1118 PolarHBondContact O-N 3.43Å; A1115-V1119 WeakPolarHBondContact O-CG2 3.4Å; A1115-V1119 PolarHBondContact O-N 2.69Å
1116A90.1Very high87.1Confident0 Ų025.5 Ų25.50%012%0.124CC..Hα-helixtrans-59-44175.700000112.1Y264 V265 A267 L277 P1112 V1113 V1119 A1120Y264-A1116 HydrophobicContact CD2-CB 4.24Å; V265-A1116 HydrophobicContact CB-CB 4.41Å; V265-A1116 VanDerWaalsContact O-CB 3.23Å; V265-A1116 WeakPolarHBondContact O-CB 3.3Å; A267-A1116 HydrophobicContact CB-CB 4.47Å; L277-A1116 HydrophobicContact CD2-CB 4.45Å; P1112-A1116 PolarHBondContact O-N 3.18Å; V1113-A1116 PolarHBondContact O-N 3.1Å; A1116-V1119 PolarHBondContact O-N 3.06Å; A1116-A1120 WeakPolarHBondContact O-CB 3.48Å; A1116-A1120 PolarHBondContact O-N 3.43Å
1117K89.7Confident86.3Confident19 Ų1930.5 Ų30.58%0.08314%0.143CC..Hα-helixtrans-58.1-47.5172.6-72.6172.9-178-178.50112.2E250 I253 S254 L257 Y264 V1113 A1115 V1119 A1120 L1121E250-K1117 HydrophobicContact CG-CD 4.3Å; E250-K1117 IonicContact OE1-NZ 3.62Å; E250-K1117 PolarHBondContact OE1-NZ 2.92Å; I253-K1117 HydrophobicContact CG2-CB 3.88Å; S254-K1117 WeakPolarHBondContact OG-CE 3.46Å; S254-K1117 PolarHBondContact OG-NZ 3.06Å; L257-K1117 HydrophobicContact CD1-CB 3.88Å; L257-K1117 HydrophobicContact CD1-CG 4.08Å; Y264-K1117 HydrophobicContact CD1-CG 4.14Å; Y264-K1117 HydrophobicContact CD2-CG 4.07Å; Y264-K1117 HydrophobicContact CE1-CG 4.11Å; Y264-K1117 HydrophobicContact CE2-CG 4.03Å; Y264-K1117 HydrophobicContact CG-CG 4.12Å; V1113-K1117 HydrophobicContact CG1-CD 4.38Å; V1113-K1117 VanDerWaalsContact O-CG 3.31Å; V1113-K1117 WeakPolarHBondContact O-CG 3.38Å; V1113-K1117 PolarHBondContact O-N 2.95Å; A1115-K1117 PolarHBondContact O-N 3.36Å; K1117-V1119 PolarHBondContact O-N 3.08Å; K1117-A1120 PolarHBondContact O-N 3.26Å; K1117-L1121 PolarHBondContact O-N 3.22Å
1118I88.1Confident85.3Confident0 Ų027.9 Ų27.90%013%0.132CC..Hα-helixtrans-66.9-37179-69.2172.7000111.8V245 I253 L1083 L1086 L1087 M1110 V1114 A1115 L1121V245-I1118 HydrophobicContact CG2-CD1 4.08Å; I253-I1118 HydrophobicContact CD1-CD1 4.32Å; I253-I1118 HydrophobicContact CD1-CG1 3.9Å; L1083-I1118 HydrophobicContact CD2-CD1 3.99Å; L1086-I1118 HydrophobicContact CD2-CB 4.23Å; L1086-I1118 HydrophobicContact CD2-CG2 3.93Å; L1086-I1118 HydrophobicContact CG-CG2 3.96Å; L1087-I1118 HydrophobicContact CB-CG2 4.34Å; L1087-I1118 WeakPolarHBondContact CD1-O 3.21Å; M1110-I1118 HydrophobicContact CE-CD1 4.4Å; V1114-I1118 HydrophobicContact CG1-CD1 4Å; V1114-I1118 WeakPolarHBondContact O-CG1 3.39Å; V1114-I1118 PolarHBondContact O-N 3.14Å; A1115-I1118 PolarHBondContact O-N 3.43Å; I1118-L1121 WeakPolarHBondContact O-CB 3.04Å; I1118-L1121 PolarHBondContact O-N 3.44Å
1119V89Confident84.2Confident4 Ų428.3 Ų28.32%0.02414%0.135CC..Hα-helixtrans-67.3-36.6175.1173.20000111.1L277 I278 L1086 V1093 A1115 A1116 K1117 L1121 R1122L277-V1119 HydrophobicContact CB-CG2 4.48Å; L277-V1119 VanDerWaalsContact O-CG1 3.29Å; L277-V1119 WeakPolarHBondContact O-CG1 3.45Å; I278-V1119 HydrophobicContact CB-CG1 4.39Å; I278-V1119 HydrophobicContact CG1-CG1 3.79Å; L1086-V1119 HydrophobicContact CD1-CG2 3.79Å; L1086-V1119 HydrophobicContact CG-CG2 4.33Å; V1093-V1119 HydrophobicContact CB-CG2 4.23Å; V1093-V1119 HydrophobicContact CG1-CG2 4.03Å; V1093-V1119 HydrophobicContact CG2-CG2 4.18Å; A1115-V1119 WeakPolarHBondContact O-CG2 3.4Å; A1115-V1119 PolarHBondContact O-N 2.69Å; A1116-V1119 PolarHBondContact O-N 3.06Å; K1117-V1119 PolarHBondContact O-N 3.08Å; V1119-L1121 VanDerWaalsContact C-N 3.27Å; V1119-L1121 PolarHBondContact O-N 3.01Å; V1119-R1122 WeakPolarHBondContact O-CB 3.44Å; V1119-R1122 WeakPolarHBondContact O-CD 3.46Å; V1119-R1122 WeakPolarHBondContact O-CG 3.43Å; V1119-R1122 PolarHBondContact O-N 2.77Å; V1119-R1122 VanDerWaalsContact O-N 3.08Å
1120A88Confident82.7Confident2 Ų223 Ų232%0.01712%0.119CC..Hα-helixtrans-63.4-28.1176.100000113.7L257 I262 A1116 K1117 R1122 R1123L257-A1120 HydrophobicContact CD1-CB 4.34Å; L257-A1120 HydrophobicContact CD2-CB 3.84Å; I262-A1120 HydrophobicContact CG2-CB 4.28Å; A1116-A1120 WeakPolarHBondContact O-CB 3.48Å; A1116-A1120 PolarHBondContact O-N 3.43Å; K1117-A1120 PolarHBondContact O-N 3.26Å; A1120-R1122 PolarHBondContact O-N 3.35Å; A1120-R1122 VanDerWaalsContact O-N 3.11Å; A1120-R1123 VanDerWaalsContact O-CB 3.29Å; A1120-R1123 WeakPolarHBondContact O-CB 3.29Å; A1120-R1123 WeakPolarHBondContact O-CG 3.37Å; A1120-R1123 PolarHBondContact O-N 3.4Å
1121L85.6Confident81.1Confident1 Ų126.3 Ų26.31%0.00514%0.136CC..Hα-helixtrans-58.8-22.8172.8-65.5174.2000113.2I253 Y256 L257 L1087 K1117 I1118 V1119 R1123 C1124 V1125 V1166 I1170I253-L1121 HydrophobicContact CG1-CD1 4.29Å; I253-L1121 HydrophobicContact CG2-CD1 4.11Å; I253-L1121 HydrophobicContact CG2-CD2 4.37Å; I253-L1121 HydrophobicContact CG2-CG 4.28Å; Y256-L1121 HydrophobicContact CD1-CD2 3.77Å; Y256-L1121 HydrophobicContact CE1-CD2 4.25Å; L257-L1121 HydrophobicContact CD2-CD2 3.97Å; L257-L1121 HydrophobicContact CG-CD2 4.16Å; L1087-L1121 HydrophobicContact CD1-CB 3.71Å; K1117-L1121 PolarHBondContact O-N 3.22Å; I1118-L1121 WeakPolarHBondContact O-CB 3.04Å; I1118-L1121 PolarHBondContact O-N 3.44Å; V1119-L1121 VanDerWaalsContact C-N 3.27Å; V1119-L1121 PolarHBondContact O-N 3.01Å; L1121-R1123 PolarHBondContact O-N 3.37Å; L1121-C1124 VanDerWaalsContact O-CB 3.31Å; L1121-C1124 WeakPolarHBondContact O-CB 3.44Å; L1121-C1124 PolarHBondContact O-N 3.5Å; L1121-V1125 WeakPolarHBondContact O-CG2 3.37Å; L1121-V1125 PolarHBondContact O-N 3.28Å; L1121-V1125 VanDerWaalsContact O-N 3.09Å; L1121-V1166 HydrophobicContact CD1-CG1 4Å; L1121-I1170 HydrophobicContact CD1-CD1 4.21Å
1122R86Confident79.4Confident41 Ų4124.5 Ų24.516%0.15513%0.125CC..Hα-helixtrans-56.6-35171.6-64.5174.4-176-137.11.6112L1086 L1087 G1089 A1090 V1119 A1120 V1125 N1126L1086-R1122 PolarHBondContact O-NE 2.88Å; L1086-R1122 PolarHBondContact O-NH2 2.98Å; L1087-R1122 HydrophobicContact CD1-CG 4.2Å; L1087-R1122 WeakPolarHBondContact O-CG 3.3Å; G1089-R1122 VanDerWaalsContact O-CZ 3.29Å; G1089-R1122 PolarHBondContact O-NH1 3.19Å; G1089-R1122 PolarHBondContact O-NH2 3.34Å; A1090-R1122 PolarHBondContact O-NH1 2.9Å; V1119-R1122 WeakPolarHBondContact O-CB 3.44Å; V1119-R1122 WeakPolarHBondContact O-CD 3.46Å; V1119-R1122 WeakPolarHBondContact O-CG 3.43Å; V1119-R1122 PolarHBondContact O-N 2.77Å; V1119-R1122 VanDerWaalsContact O-N 3.08Å; A1120-R1122 PolarHBondContact O-N 3.35Å; A1120-R1122 VanDerWaalsContact O-N 3.11Å; R1122-V1125 PolarHBondContact O-N 3.46Å; R1122-N1126 PolarHBondContact O-N 3.48Å
1123R80.3Confident77.7Confident48 Ų4825.9 Ų25.918%0.18113%0.129CC..Hα-helixtrans-70.5-38.4-179.8-50.2-171.871.2163.86.5110.9I262 T279 E280 D281 A1120 L1121 N1126 R1127I262-R1123 HydrophobicContact CD1-CB 4.42Å; I262-R1123 HydrophobicContact CG2-CB 4.1Å; T279-R1123 PolarHBondContact OG1-NH1 2.86Å; E280-R1123 PolarHBondContact O-NH2 2.9Å; D281-R1123 IonicContact OD1-CZ 3.69Å; D281-R1123 IonicContact OD1-NE 2.77Å; D281-R1123 PolarHBondContact OD1-NE 3.32Å; D281-R1123 IonicContact OD1-NH2 2.72Å; D281-R1123 PolarHBondContact OD1-NH2 3.24Å; A1120-R1123 VanDerWaalsContact O-CB 3.29Å; A1120-R1123 WeakPolarHBondContact O-CB 3.29Å; A1120-R1123 WeakPolarHBondContact O-CG 3.37Å; A1120-R1123 PolarHBondContact O-N 3.4Å; L1121-R1123 PolarHBondContact O-N 3.37Å; R1123-N1126 PolarHBondContact O-N 3.01Å; R1123-R1127 WeakPolarHBondContact O-CB 3.34Å; R1123-R1127 PolarHBondContact O-N 3.17Å
1124C79.1Confident75.6Confident2 Ų226.3 Ų26.31%0.01413%0.134CC..Hα-helixtrans-58.1-48.7169.4-46.40000110.8Y256 I262 L1121 N1126 R1127 L1128 I1163Y256-C1124 HydrophobicContact CE1-CB 3.98Å; I262-C1124 HydrophobicContact CD1-CB 4.26Å; I262-C1124 WeakPolarHBondContact CD1-SG 3.25Å; L1121-C1124 VanDerWaalsContact O-CB 3.31Å; L1121-C1124 WeakPolarHBondContact O-CB 3.44Å; L1121-C1124 PolarHBondContact O-N 3.5Å; C1124-N1126 PolarHBondContact O-N 2.84Å; C1124-R1127 PolarHBondContact O-N 2.77Å; C1124-L1128 WeakPolarHBondContact O-CG 3.34Å; C1124-L1128 PolarHBondContact O-N 3.31Å; C1124-I1163 HydrophobicContact CB-CD1 3.62Å
1125V78.3Confident73.6Confident12 Ų1229.4 Ų29.47%0.07315%0.148CC..Hα-helixtrans-60.8-45.2178.2177.30000111.8L867 F871 F1088 L1121 R1122 L1128 V1129 I1163L867-V1125 HydrophobicContact CD1-CG1 3.95Å; L867-V1125 HydrophobicContact CD2-CG1 3.56Å; L867-V1125 HydrophobicContact CG-CG1 4.42Å; F871-V1125 HydrophobicContact CZ-CG1 4.46Å; F871-V1125 HydrophobicContact CZ-CG2 4.29Å; F1088-V1125 HydrophobicContact CE1-CG1 4.16Å; F1088-V1125 HydrophobicContact CE1-CG2 4.31Å; F1088-V1125 HydrophobicContact CZ-CG2 4.48Å; L1121-V1125 WeakPolarHBondContact O-CG2 3.37Å; L1121-V1125 PolarHBondContact O-N 3.28Å; L1121-V1125 VanDerWaalsContact O-N 3.09Å; R1122-V1125 PolarHBondContact O-N 3.46Å; V1125-L1128 PolarHBondContact O-N 2.98Å; V1125-V1129 PolarHBondContact O-N 2.8Å; V1125-I1163 HydrophobicContact CG2-CD1 3.77Å
1126N74.2Confident71.4Confident73 Ų7331.8 Ų31.839%0.3916%0.16SC..Hα-helixtrans-62.4-44.2175.1-79.7-14.1000111.9D281 R1122 R1123 C1124 L1128 V1129 G1130D281-N1126 PolarHBondContact OD2-ND2 3.15Å; D281-N1126 VanDerWaalsContact OD2-ND2 3.15Å; R1122-N1126 PolarHBondContact O-N 3.48Å; R1123-N1126 PolarHBondContact O-N 3.01Å; C1124-N1126 PolarHBondContact O-N 2.84Å; N1126-L1128 VanDerWaalsContact C-N 3.34Å; N1126-L1128 PolarHBondContact O-N 2.95Å; N1126-V1129 PolarHBondContact O-N 3.22Å; N1126-G1130 PolarHBondContact O-N 3.35Å
1127R71.8Confident68.9Low106 Ų10635.5 Ų35.540%0.418%0.183SC..Hα-helixtrans-62.6-35.3176.8-89.4-177.6152.8-161.1-4.4112.9D283 R1123 C1124 G1130 L1131D283-R1127 IonicContact OD2-CZ 3.02Å; D283-R1127 VanDerWaalsContact OD2-CZ 3.25Å; D283-R1127 IonicContact OD2-NE 3.5Å; D283-R1127 PolarHBondContact OD2-NE 2.74Å; D283-R1127 IonicContact OD2-NH2 3.81Å; D283-R1127 PolarHBondContact OD2-NH2 2.8Å; R1123-R1127 WeakPolarHBondContact O-CB 3.34Å; R1123-R1127 PolarHBondContact O-N 3.17Å; C1124-R1127 PolarHBondContact O-N 2.77Å; R1127-G1130 CarbonylContact O-C 3.53Å; R1127-G1130 WeakPolarHBondContact O-CA 3.28Å; R1127-G1130 PolarHBondContact O-N 3.19Å; R1127-L1131 PolarHBondContact O-N 3.25Å
1128L70.5Confident66.4Low6 Ų638.7 Ų38.73%0.03120%0.201CC..Hα-helixtrans-64.4-40.8174.3-74.4166.7000112.2I870 F871 C1124 V1125 N1126 G1130 L1131 A1132 A1159 I1163I870-L1128 HydrophobicContact CG2-CB 4.37Å; F871-L1128 HydrophobicContact CE1-CD1 3.99Å; C1124-L1128 WeakPolarHBondContact O-CG 3.34Å; C1124-L1128 PolarHBondContact O-N 3.31Å; V1125-L1128 PolarHBondContact O-N 2.98Å; N1126-L1128 VanDerWaalsContact C-N 3.34Å; N1126-L1128 PolarHBondContact O-N 2.95Å; L1128-G1130 PolarHBondContact O-N 2.75Å; L1128-L1131 HydrophobicContact CD2-CD1 4.41Å; L1128-L1131 PolarHBondContact O-N 2.68Å; L1128-A1132 PolarHBondContact O-N 3.45Å; L1128-A1132 VanDerWaalsContact O-N 3.13Å; L1128-A1159 HydrophobicContact CD2-CB 4.08Å; L1128-I1163 HydrophobicContact CD1-CD1 4.15Å; L1128-I1163 HydrophobicContact CD1-CG2 3.85Å
1129V67.3Low64.1Low10 Ų1043.9 Ų43.96%0.06123%0.225CC..Hα-helixtrans-65-26.2169-175.50000111.3L848 L867 I870 V1125 N1126L848-V1129 HydrophobicContact CD1-CG1 4.33Å; L848-V1129 HydrophobicContact CD2-CG1 3.9Å; L867-V1129 HydrophobicContact CB-CG2 4.26Å; L867-V1129 HydrophobicContact CD1-CG2 3.87Å; I870-V1129 HydrophobicContact CD1-CG2 4.49Å; V1125-V1129 PolarHBondContact O-N 2.8Å; N1126-V1129 PolarHBondContact O-N 3.22Å
1130G62.3Low61.6Low12 Ų1249.3 Ų49.312%0.12425%0.248CC..Hα-helixtrans-64.6-52.5167.500000113.8N1126 R1127 L1128 A1132 K1133N1126-G1130 PolarHBondContact O-N 3.35Å; R1127-G1130 CarbonylContact O-C 3.53Å; R1127-G1130 WeakPolarHBondContact O-CA 3.28Å; R1127-G1130 PolarHBondContact O-N 3.19Å; L1128-G1130 PolarHBondContact O-N 2.75Å; G1130-A1132 VanDerWaalsContact C-N 3.31Å; G1130-A1132 PolarHBondContact O-N 3.34Å; G1130-K1133 WeakPolarHBondContact O-CB 3.4Å; G1130-K1133 WeakPolarHBondContact O-CD 3.46Å; G1130-K1133 WeakPolarHBondContact O-CG 3.49Å; G1130-K1133 PolarHBondContact O-N 3.13Å
1131L56.1Low58.8Low87 Ų8757.3 Ų57.346%0.45529%0.286SS..Hα-helixtrans-65.3-33-176.9-70.5168.1000112.5R1127 L1128 K1133 C1134R1127-L1131 PolarHBondContact O-N 3.25Å; L1128-L1131 HydrophobicContact CD2-CD1 4.41Å; L1128-L1131 PolarHBondContact O-N 2.68Å; L1131-K1133 PolarHBondContact O-N 3.47Å; L1131-K1133 VanDerWaalsContact O-N 3.17Å; L1131-C1134 WeakPolarHBondContact O-CB 3.37Å; L1131-C1134 PolarHBondContact O-N 2.92Å
1132A54.5Low56Low20 Ų2062 Ų6217%0.16532%0.318CS..Hα-helixtrans-60.7-20.5171.100000113.7I870 L1128 G1130I870-A1132 HydrophobicContact CD1-CB 3.7Å; I870-A1132 HydrophobicContact CG1-CB 4.28Å; L1128-A1132 PolarHBondContact O-N 3.45Å; L1128-A1132 VanDerWaalsContact O-N 3.13Å; G1130-A1132 VanDerWaalsContact C-N 3.31Å; G1130-A1132 PolarHBondContact O-N 3.34Å
1133K53.2Low53.3Low41 Ų4164 Ų6418%0.17835%0.35CS..Hα-helixtrans-68.3-36.6172.4-53166.5-171.6161.90111.5A847 G1130 L1131 H1135 L1136 T1137A847-K1133 HydrophobicContact CB-CB 4.04Å; A847-K1133 HydrophobicContact CB-CG 4.18Å; G1130-K1133 WeakPolarHBondContact O-CB 3.4Å; G1130-K1133 WeakPolarHBondContact O-CD 3.46Å; G1130-K1133 WeakPolarHBondContact O-CG 3.49Å; G1130-K1133 PolarHBondContact O-N 3.13Å; L1131-K1133 PolarHBondContact O-N 3.47Å; L1131-K1133 VanDerWaalsContact O-N 3.17Å; K1133-H1135 VanDerWaalsContact C-N 3.33Å; K1133-H1135 PolarHBondContact O-N 3.02Å; K1133-L1136 WeakPolarHBondContact O-CB 3.4Å; K1133-L1136 PolarHBondContact O-N 3.45Å; K1133-T1137 PolarHBondContact O-N 2.89Å
1134C44.5Very low51Low60 Ų6068.8 Ų68.841%0.40538%0.38SS..Hα-helixtrans-67.5-31.5-173.8-60.50000112.9L1131 L1136 T1137 N1138L1131-C1134 WeakPolarHBondContact O-CB 3.37Å; L1131-C1134 PolarHBondContact O-N 2.92Å; C1134-L1136 PolarHBondContact O-N 3.39Å; C1134-T1137 PolarHBondContact O-N 3.31Å; C1134-T1137 PolarHBondContact O-OG1 3.18Å; C1134-N1138 PolarHBondContact O-N 3.46Å; C1134-N1138 PolarHBondContact O-OD1 3.12Å
1135H47.3Very low48.9Very low74 Ų7472.3 Ų72.334%0.34340%0.396SS..Hα-helixtrans-62-26.6171-96.523.8000113.3K1133 S1152 T1153K1133-H1135 VanDerWaalsContact C-N 3.33Å; K1133-H1135 PolarHBondContact O-N 3.02Å; H1135-S1152 PolarHBondContact CE1-OG 3.47Å; H1135-S1152 VanDerWaalsContact CE1-OG 3.25Å; H1135-S1152 PolarHBondContact ND1-OG 3.12Å; H1135-T1153 PolarHBondContact CE1-OG1 3.3Å; H1135-T1153 PolarHBondContact NE2-OG1 3.18Å
1136L43.2Very low46.7Very low50 Ų5078.2 Ų78.226%0.26243%0.426SS..Hα-helixtrans-92.8-16.5-177.7-74.9154.7000113.8I851 F975 K1133 C1134I851-L1136 HydrophobicContact CD1-CD1 3.72Å; I851-L1136 HydrophobicContact CG1-CD1 4.24Å; F975-L1136 HydrophobicContact CB-CD2 4.44Å; F975-L1136 HydrophobicContact CD1-CD2 4.27Å; K1133-L1136 WeakPolarHBondContact O-CB 3.4Å; K1133-L1136 PolarHBondContact O-N 3.45Å; C1134-L1136 PolarHBondContact O-N 3.39Å
1137T38.8Very low44.8Very low78 Ų7882.1 Ų82.148%0.47944%0.442SS..Hα-helixtrans-92.1-31.6-178.748.40000113.5K1133 C1134 E1139K1133-T1137 PolarHBondContact O-N 2.89Å; C1134-T1137 PolarHBondContact O-N 3.31Å; C1134-T1137 PolarHBondContact O-OG1 3.18Å; T1137-E1139 VanDerWaalsContact C-N 3.35Å; T1137-E1139 PolarHBondContact O-N 2.83Å
1138N37.4Very low43Very low86 Ų8681.5 Ų81.546%0.4645%0.447SS..G310 helixtrans-82.8-3.2-164.4-71.430.5000114.9C1134 K1140C1134-N1138 PolarHBondContact O-N 3.46Å; C1134-N1138 PolarHBondContact O-OD1 3.12Å; N1138-K1140 PolarHBondContact O-N 2.7Å
1139E38.2Very low41.3Very low109 Ų10983.9 Ų83.951%0.50946%0.461SS..G310 helixtrans-63.9-7.4177.4-64.5-167.8118.500115L32 T1137L32-E1139 HydrophobicContact CD2-CB 4.38Å; T1137-E1139 VanDerWaalsContact C-N 3.35Å; T1137-E1139 PolarHBondContact O-N 2.83Å
1140K38.1Very low39.7Very low117 Ų11789 Ų8951%0.50949%0.485SS..G310 helixtrans-95.3-16.7-172.5-75.5179.8179.7173.10115.3D291 N1138D291-K1140 IonicContact OD1-NZ 3.66Å; N1138-K1140 PolarHBondContact O-N 2.7Å
1141E27.7Very low38.5Very low171 Ų17191.9 Ų91.980%0.79950%0.497SS*.SBendtrans-134.3140.6-173.1-58.5-160.3150.400114.6
1142C27.1Very low37.6Very low100 Ų10090 Ų9068%0.67649%0.491SS*.  trans48.2122.9177.6-93.50000121.2D1144C1142-D1144 VanDerWaalsContact C-N 3.28Å; C1142-D1144 PolarHBondContact O-N 3.01Å
1143G30.4Very low36.7Very low82 Ų8290.5 Ų90.585%0.84549%0.493SS*.THydrogen-bonded Turntrans-79.76-179.500000116.5
1144D31.3Very low35.9Very low149 Ų14992.4 Ų92.480%0.79751%0.51SS*.THydrogen-bonded Turntrans-100.7-6.9179.4-60.4-62.4000112.7C1142 L1146C1142-D1144 VanDerWaalsContact C-N 3.28Å; C1142-D1144 PolarHBondContact O-N 3.01Å; D1144-L1146 PolarHBondContact O-N 3Å
1145E34.2Very low35.8Very low76 Ų7697.7 Ų97.736%0.35552%0.522SS..THydrogen-bonded Turntrans-88.77.8-170.4-72.3-124.7126.700115.5Q1147 N1148 V1149E1145-Q1147 PolarHBondContact O-N 3.14Å; E1145-N1148 HydrophobicContact CB-CB 4.35Å; E1145-N1148 WeakPolarHBondContact O-CA 3.47Å; E1145-N1148 PolarHBondContact O-N 2.92Å; E1145-N1148 PolarHBondContact OE1-ND2 3.42Å; E1145-V1149 PolarHBondContact O-N 3.35Å
1146L33.1Very low35.7Very low136 Ų13695.5 Ų95.571%0.71252%0.516SS*.Hα-helixtrans-55.2-31-179.8-153.185.1000112.4D1144 Q1150D1144-L1146 PolarHBondContact O-N 3Å; L1146-Q1150 WeakPolarHBondContact O-CG 3.43Å; L1146-Q1150 PolarHBondContact O-N 2.84Å; L1146-Q1150 VanDerWaalsContact O-N 3.12Å
1147Q33.6Very low35.7Very low154 Ų15496.1 Ų96.172%0.7252%0.522SS*.Hα-helixtrans-76-35.2176.6-159.2160.4-0.100112.6E1145 Q1150 D1151E1145-Q1147 PolarHBondContact O-N 3.14Å; Q1147-Q1150 PolarHBondContact O-N 2.98Å; Q1147-D1151 WeakPolarHBondContact O-CB 3.39Å; Q1147-D1151 PolarHBondContact O-N 2.63Å
1148N34.3Very low35.9Very low93 Ų9395.5 Ų95.550%0.49753%0.525SS..Hα-helixtrans-71.1-34.3171.9-83.1-10.3000112.1E1145 D1151 S1152E1145-N1148 HydrophobicContact CB-CB 4.35Å; E1145-N1148 WeakPolarHBondContact O-CA 3.47Å; E1145-N1148 PolarHBondContact O-N 2.92Å; E1145-N1148 PolarHBondContact OE1-ND2 3.42Å; N1148-D1151 PolarHBondContact O-N 2.84Å; N1148-S1152 WeakPolarHBondContact O-CB 3.36Å; N1148-S1152 PolarHBondContact O-N 3.21Å
1149V35.1Very low36.5Very low56 Ų5691.9 Ų91.934%0.33951%0.507SS..Hα-helixtrans-60.2-52.4170.4175.10000109.6E1145 D1151 S1152 T1153E1145-V1149 PolarHBondContact O-N 3.35Å; V1149-D1151 VanDerWaalsContact C-N 3.34Å; V1149-D1151 PolarHBondContact O-N 3.39Å; V1149-S1152 PolarHBondContact O-N 3.48Å; V1149-S1152 VanDerWaalsContact O-N 3.14Å; V1149-S1152 PolarHBondContact O-OG 3.34Å; V1149-T1153 PolarHBondContact O-N 2.95Å; V1149-T1153 PolarHBondContact O-OG1 3.44Å; V1149-T1153 VanDerWaalsContact O-OG1 3.04Å
1150Q33.6Very low37.4Very low119 Ų11986.9 Ų86.956%0.55648%0.484SS*.Hα-helixtrans-58-42.8175.6-76.1-177.6-2100112.6L1146 Q1147 S1152 T1153 C1154L1146-Q1150 WeakPolarHBondContact O-CG 3.43Å; L1146-Q1150 PolarHBondContact O-N 2.84Å; L1146-Q1150 VanDerWaalsContact O-N 3.12Å; Q1147-Q1150 PolarHBondContact O-N 2.98Å; Q1150-S1152 VanDerWaalsContact C-N 3.29Å; Q1150-S1152 PolarHBondContact O-N 3.14Å; Q1150-T1153 WeakPolarHBondContact O-CB 3.28Å; Q1150-T1153 PolarHBondContact O-N 2.86Å; Q1150-C1154 WeakPolarHBondContact O-CB 3.46Å; Q1150-C1154 PolarHBondContact O-N 2.75Å; Q1150-C1154 PolarHBondContact O-SG 2.88Å
1151D37.5Very low38.3Very low71 Ų7186.7 Ų86.738%0.3848%0.484SS..Hα-helixtrans-63.1-36.7178.1-145.867.7000111.6Q1147 N1148 V1149 C1154 R1155Q1147-D1151 WeakPolarHBondContact O-CB 3.39Å; Q1147-D1151 PolarHBondContact O-N 2.63Å; N1148-D1151 PolarHBondContact O-N 2.84Å; V1149-D1151 VanDerWaalsContact C-N 3.34Å; V1149-D1151 PolarHBondContact O-N 3.39Å; D1151-C1154 PolarHBondContact O-N 2.94Å; D1151-R1155 VanDerWaalsContact O-CG 3.28Å; D1151-R1155 WeakPolarHBondContact O-CG 3.33Å; D1151-R1155 PolarHBondContact O-N 2.97Å; D1151-R1155 IonicContact OD2-CZ 3.92Å; D1151-R1155 VanDerWaalsContact OD2-CZ 3.26Å; D1151-R1155 IonicContact OD2-NE 3.56Å; D1151-R1155 PolarHBondContact OD2-NE 3.3Å; D1151-R1155 IonicContact OD2-NH2 2.96Å; D1151-R1155 PolarHBondContact OD2-NH2 3.17Å
1152S36.5Very low39.8Very low47 Ų4779.8 Ų79.833%0.32946%0.46SS..Hα-helixtrans-69.1-37.8173.177.50000113H1135 N1148 V1149 Q1150 R1155 A1156H1135-S1152 PolarHBondContact CE1-OG 3.47Å; H1135-S1152 VanDerWaalsContact CE1-OG 3.25Å; H1135-S1152 PolarHBondContact ND1-OG 3.12Å; N1148-S1152 WeakPolarHBondContact O-CB 3.36Å; N1148-S1152 PolarHBondContact O-N 3.21Å; V1149-S1152 PolarHBondContact O-N 3.48Å; V1149-S1152 VanDerWaalsContact O-N 3.14Å; V1149-S1152 PolarHBondContact O-OG 3.34Å; Q1150-S1152 VanDerWaalsContact C-N 3.29Å; Q1150-S1152 PolarHBondContact O-N 3.14Å; S1152-R1155 PolarHBondContact O-N 3.49Å; S1152-A1156 WeakPolarHBondContact O-CB 3.38Å; S1152-A1156 PolarHBondContact O-N 2.97Å
1153T35.4Very low41.5Very low32 Ų3275.1 Ų75.120%0.19643%0.428CS..Hα-helixtrans-62.5-47171.7-38.30000110.2L978 H1135 V1149 Q1150 R1155 A1156 V1157L978-T1153 HydrophobicContact CD1-CG2 4.31Å; H1135-T1153 PolarHBondContact CE1-OG1 3.3Å; H1135-T1153 PolarHBondContact NE2-OG1 3.18Å; V1149-T1153 PolarHBondContact O-N 2.95Å; V1149-T1153 PolarHBondContact O-OG1 3.44Å; V1149-T1153 VanDerWaalsContact O-OG1 3.04Å; Q1150-T1153 WeakPolarHBondContact O-CB 3.28Å; Q1150-T1153 PolarHBondContact O-N 2.86Å; T1153-R1155 PolarHBondContact O-N 3.5Å; T1153-A1156 PolarHBondContact O-N 3.4Å; T1153-V1157 HydrophobicContact CG2-CG2 4.44Å; T1153-V1157 WeakPolarHBondContact O-CB 3.22Å; T1153-V1157 WeakPolarHBondContact O-CG2 3.47Å; T1153-V1157 PolarHBondContact O-N 2.89Å
1154C36Very low43Very low81 Ų8171.3 Ų71.355%0.54739%0.388SS..Hα-helixtrans-62.6-38.6179.7-73.40000112.3Q1150 D1151 A1158Q1150-C1154 WeakPolarHBondContact O-CB 3.46Å; Q1150-C1154 PolarHBondContact O-N 2.75Å; Q1150-C1154 PolarHBondContact O-SG 2.88Å; D1151-C1154 PolarHBondContact O-N 2.94Å; C1154-A1158 WeakPolarHBondContact O-CB 3.36Å; C1154-A1158 PolarHBondContact O-N 3.19Å
1155R43.6Very low44.5Very low171 Ų17169.7 Ų69.765%0.64538%0.377SS*.Hα-helixtrans-66.6-43.1172.7-70.5174.7-154.7-163.78.2112.1D1151 S1152 T1153 V1157 A1158 A1159D1151-R1155 VanDerWaalsContact O-CG 3.28Å; D1151-R1155 WeakPolarHBondContact O-CG 3.33Å; D1151-R1155 PolarHBondContact O-N 2.97Å; D1151-R1155 IonicContact OD2-CZ 3.92Å; D1151-R1155 VanDerWaalsContact OD2-CZ 3.26Å; D1151-R1155 IonicContact OD2-NE 3.56Å; D1151-R1155 PolarHBondContact OD2-NE 3.3Å; D1151-R1155 IonicContact OD2-NH2 2.96Å; D1151-R1155 PolarHBondContact OD2-NH2 3.17Å; S1152-R1155 PolarHBondContact O-N 3.49Å; T1153-R1155 PolarHBondContact O-N 3.5Å; R1155-V1157 VanDerWaalsContact C-N 3.35Å; R1155-V1157 PolarHBondContact O-N 3.49Å; R1155-A1158 PolarHBondContact O-N 3.06Å; R1155-A1159 WeakPolarHBondContact O-CB 3.49Å; R1155-A1159 PolarHBondContact O-N 2.79Å
1156A44.3Very low45.9Very low28 Ų2866.5 Ų66.523%0.23136%0.363CS..Hα-helixtrans-62.2-41.3176.200000112S1152 T1153 E1160S1152-A1156 WeakPolarHBondContact O-CB 3.38Å; S1152-A1156 PolarHBondContact O-N 2.97Å; T1153-A1156 PolarHBondContact O-N 3.4Å; A1156-E1160 VanDerWaalsContact O-CB 3.29Å; A1156-E1160 WeakPolarHBondContact O-CB 3.37Å; A1156-E1160 PolarHBondContact O-N 3.37Å
1157V43.6Very low47.5Very low62 Ų6260.2 Ų60.238%0.37633%0.33SS..Hα-helixtrans-72.4-35.6176.9172.80000112.2T1153 R1155 E1160 E1161T1153-V1157 HydrophobicContact CG2-CG2 4.44Å; T1153-V1157 WeakPolarHBondContact O-CB 3.22Å; T1153-V1157 WeakPolarHBondContact O-CG2 3.47Å; T1153-V1157 PolarHBondContact O-N 2.89Å; R1155-V1157 VanDerWaalsContact C-N 3.35Å; R1155-V1157 PolarHBondContact O-N 3.49Å; V1157-E1160 WeakPolarHBondContact O-CB 3.39Å; V1157-E1160 PolarHBondContact O-N 3.02Å; V1157-E1161 WeakPolarHBondContact O-CG 3.49Å; V1157-E1161 PolarHBondContact O-N 3.36Å
1158A43.6Very low49Very low65 Ų6555.3 Ų55.354%0.53731%0.305SS..Hα-helixtrans-67.7-43174.700000112C1154 R1155 E1160 E1161 G1162C1154-A1158 WeakPolarHBondContact O-CB 3.36Å; C1154-A1158 PolarHBondContact O-N 3.19Å; R1155-A1158 PolarHBondContact O-N 3.06Å; A1158-E1160 VanDerWaalsContact C-N 3.3Å; A1158-E1161 PolarHBondContact O-N 3.18Å; A1158-G1162 PolarHBondContact O-N 3.32Å; A1158-G1162 VanDerWaalsContact O-N 3.12Å
1159A49.9Very low50.4Low11 Ų1152.1 Ų52.19%0.09129%0.29CS..Hα-helixtrans-64.2-35.7171.300000111.7E260 L1128 R1155 I1163E260-A1159 WeakPolarHBondContact OE1-CB 3.48Å; L1128-A1159 HydrophobicContact CD2-CB 4.08Å; R1155-A1159 WeakPolarHBondContact O-CB 3.49Å; R1155-A1159 PolarHBondContact O-N 2.79Å; A1159-I1163 WeakPolarHBondContact O-CG2 3.15Å; A1159-I1163 PolarHBondContact O-N 3.46Å
1160E57.3Low51.9Low4 Ų449.5 Ų49.52%0.01927%0.274CS..Hα-helixtrans-60.3-48.8171.6-168.5-139.3154.700111.7I870 F871 S872 R1002 A1156 V1157 A1158 G1162 I1163 V1164I870-E1160 VanDerWaalsContact O-CG 3.22Å; I870-E1160 WeakPolarHBondContact O-CG 3.28Å; F871-E1160 WeakPolarHBondContact CA-OE1 3.3Å; F871-E1160 HydrophobicContact CD1-CG 4.18Å; S872-E1160 WeakPolarHBondContact CB-OE1 3.49Å; S872-E1160 PolarHBondContact N-OE1 3.46Å; S872-E1160 PolarHBondContact OG-OE1 3.48Å; S872-E1160 PolarHBondContact OG-OE2 2.98Å; R1002-E1160 IonicContact CZ-OE1 2.75Å; R1002-E1160 VanDerWaalsContact CZ-OE1 3.27Å; R1002-E1160 IonicContact NH1-OE1 3.92Å; R1002-E1160 PolarHBondContact NH1-OE1 2.82Å; R1002-E1160 IonicContact NH2-OE1 3.57Å; R1002-E1160 PolarHBondContact NH2-OE1 3.11Å; R1002-E1160 IonicContact NH2-OE2 3.78Å; A1156-E1160 VanDerWaalsContact O-CB 3.29Å; A1156-E1160 WeakPolarHBondContact O-CB 3.37Å; A1156-E1160 PolarHBondContact O-N 3.37Å; V1157-E1160 WeakPolarHBondContact O-CB 3.39Å; V1157-E1160 PolarHBondContact O-N 3.02Å; A1158-E1160 VanDerWaalsContact C-N 3.3Å; E1160-G1162 PolarHBondContact O-N 3.31Å; E1160-I1163 WeakPolarHBondContact O-CG2 3.31Å; E1160-I1163 PolarHBondContact O-N 2.97Å; E1160-V1164 HydrophobicContact CG-CG2 4.02Å; E1160-V1164 WeakPolarHBondContact O-CB 3.45Å; E1160-V1164 WeakPolarHBondContact O-CG2 3.45Å; E1160-V1164 PolarHBondContact O-N 3.26Å
1161E57.1Low53.2Low112 Ų11244 Ų4452%0.52325%0.249SC..Hα-helixtrans-62.1-44.1179.1-65-141.2120.800112R1002 V1157 A1158 V1164 M1165R1002-E1161 IonicContact NH2-OE1 3.02Å; V1157-E1161 WeakPolarHBondContact O-CG 3.49Å; V1157-E1161 PolarHBondContact O-N 3.36Å; A1158-E1161 PolarHBondContact O-N 3.18Å; E1161-V1164 PolarHBondContact O-N 2.85Å; E1161-M1165 WeakPolarHBondContact O-CB 3.17Å; E1161-M1165 VanDerWaalsContact O-CG 3.31Å; E1161-M1165 WeakPolarHBondContact O-CG 3.48Å; E1161-M1165 PolarHBondContact O-N 3.45Å
1162G57.8Low54.3Low27 Ų2747.4 Ų47.428%0.27826%0.256SS..Hα-helixtrans-57.2-56.5175.700000112.2A1158 E1160 V1164 M1165 V1166A1158-G1162 PolarHBondContact O-N 3.32Å; A1158-G1162 VanDerWaalsContact O-N 3.12Å; E1160-G1162 PolarHBondContact O-N 3.31Å; G1162-V1164 PolarHBondContact O-N 3.32Å; G1162-M1165 PolarHBondContact O-N 2.85Å; G1162-V1166 WeakPolarHBondContact O-CG2 3.36Å; G1162-V1166 PolarHBondContact O-N 3.45Å
1163I64.5Low55.4Low1 Ų147.1 Ų47.11%0.00525%0.251CS..Hα-helixtrans-66.3-38.6-179.1-154.8174.9000111.8Y256 F871 C1124 V1125 L1128 A1159 E1160 M1165 V1166 L1167Y256-I1163 HydrophobicContact CE1-CB 3.85Å; Y256-I1163 HydrophobicContact CE1-CD1 4.08Å; Y256-I1163 HydrophobicContact CE1-CG1 3.78Å; Y256-I1163 HydrophobicContact CE2-CB 4.5Å; F871-I1163 HydrophobicContact CD1-CG2 4.45Å; F871-I1163 HydrophobicContact CE1-CG2 3.73Å; F871-I1163 HydrophobicContact CZ-CG2 4.49Å; C1124-I1163 HydrophobicContact CB-CD1 3.62Å; V1125-I1163 HydrophobicContact CG2-CD1 3.77Å; L1128-I1163 HydrophobicContact CD1-CD1 4.15Å; L1128-I1163 HydrophobicContact CD1-CG2 3.85Å; A1159-I1163 WeakPolarHBondContact O-CG2 3.15Å; A1159-I1163 PolarHBondContact O-N 3.46Å; E1160-I1163 WeakPolarHBondContact O-CG2 3.31Å; E1160-I1163 PolarHBondContact O-N 2.97Å; I1163-M1165 VanDerWaalsContact C-N 3.32Å; I1163-M1165 PolarHBondContact O-N 2.84Å; I1163-V1166 PolarHBondContact O-N 3.49Å; I1163-L1167 HydrophobicContact CG1-CD1 4.33Å; I1163-L1167 HydrophobicContact CG1-CG 4.32Å; I1163-L1167 HydrophobicContact CG2-CD1 4.49Å; I1163-L1167 VanDerWaalsContact O-CB 3.27Å; I1163-L1167 WeakPolarHBondContact O-CB 3.27Å; I1163-L1167 WeakPolarHBondContact O-CG 3.4Å; I1163-L1167 PolarHBondContact O-N 3.12Å
1164V60.2Low56.1Low3 Ų347.8 Ų47.82%0.01825%0.254CS..Hα-helixtrans-65.6-34.4-179.8168.40000111.7F871 E1160 E1161 G1162 Y1168F871-V1164 HydrophobicContact CB-CG2 4.4Å; F871-V1164 HydrophobicContact CD1-CG2 3.9Å; F871-V1164 HydrophobicContact CG-CG2 4.33Å; E1160-V1164 HydrophobicContact CG-CG2 4.02Å; E1160-V1164 WeakPolarHBondContact O-CB 3.45Å; E1160-V1164 WeakPolarHBondContact O-CG2 3.45Å; E1160-V1164 PolarHBondContact O-N 3.26Å; E1161-V1164 PolarHBondContact O-N 2.85Å; G1162-V1164 PolarHBondContact O-N 3.32Å; V1164-Y1168 WeakPolarHBondContact O-CB 3.42Å; V1164-Y1168 PolarHBondContact O-N 3.11Å
1165M63.7Low56.7Low115 Ų11545.9 Ų45.957%0.56724%0.238SC*.Hα-helixtrans-69.7-44.2174.2-73-62.2-69.500112.1E1161 G1162 I1163 Y1168 S1169E1161-M1165 WeakPolarHBondContact O-CB 3.17Å; E1161-M1165 VanDerWaalsContact O-CG 3.31Å; E1161-M1165 WeakPolarHBondContact O-CG 3.48Å; E1161-M1165 PolarHBondContact O-N 3.45Å; G1162-M1165 PolarHBondContact O-N 2.85Å; I1163-M1165 VanDerWaalsContact C-N 3.32Å; I1163-M1165 PolarHBondContact O-N 2.84Å; M1165-Y1168 PolarHBondContact O-N 3.07Å; M1165-S1169 PolarHBondContact O-N 3.28Å; M1165-S1169 PolarHBondContact O-OG 2.97Å
1166V63.1Low56.7Low9 Ų943.6 Ų43.66%0.05523%0.233CC..Hα-helixtrans-58.6-48.6172.7171.50000110.9D252 I253 L1121 G1162 I1163 Y1168 S1169 I1170D252-V1166 HydrophobicContact CB-CG2 4.25Å; I253-V1166 HydrophobicContact CG1-CG1 3.54Å; L1121-V1166 HydrophobicContact CD1-CG1 4Å; G1162-V1166 WeakPolarHBondContact O-CG2 3.36Å; G1162-V1166 PolarHBondContact O-N 3.45Å; I1163-V1166 PolarHBondContact O-N 3.49Å; V1166-Y1168 PolarHBondContact O-N 2.62Å; V1166-S1169 PolarHBondContact O-N 3.49Å; V1166-I1170 HydrophobicContact CG1-CD1 4.14Å; V1166-I1170 WeakPolarHBondContact O-CG1 3.38Å; V1166-I1170 PolarHBondContact O-N 3.23Å; V1166-I1170 VanDerWaalsContact O-N 3.11Å
1167L66.4Low56.5Low4 Ų449.7 Ų49.72%0.02125%0.25CS..Hα-helixtrans-55.1-50.7174.2-73.4173.8000110.8F871 L1087 F1088 I1163 S1169 I1170 H1171F871-L1167 HydrophobicContact CE1-CD1 4.36Å; F871-L1167 HydrophobicContact CE2-CD1 4.17Å; F871-L1167 HydrophobicContact CZ-CD1 3.96Å; L1087-L1167 HydrophobicContact CD2-CD2 3.28Å; F1088-L1167 HydrophobicContact CE2-CD2 3.79Å; F1088-L1167 HydrophobicContact CZ-CD1 4.45Å; F1088-L1167 HydrophobicContact CZ-CD2 3.93Å; I1163-L1167 HydrophobicContact CG1-CD1 4.33Å; I1163-L1167 HydrophobicContact CG1-CG 4.32Å; I1163-L1167 HydrophobicContact CG2-CD1 4.49Å; I1163-L1167 VanDerWaalsContact O-CB 3.27Å; I1163-L1167 WeakPolarHBondContact O-CB 3.27Å; I1163-L1167 WeakPolarHBondContact O-CG 3.4Å; I1163-L1167 PolarHBondContact O-N 3.12Å; L1167-S1169 PolarHBondContact O-N 3.41Å; L1167-I1170 WeakPolarHBondContact O-CB 3.5Å; L1167-I1170 PolarHBondContact O-N 3.35Å; L1167-H1171 PolarHBondContact O-N 3.38Å; L1167-H1171 PolarHBondContact O-ND1 2.84Å
1168Y65.2Low56.2Low50 Ų5052 Ų5220%0.19626%0.255CS..Hα-helixtrans-60.8-44.4-179.6168.1-125.7000112.2M1006 V1164 M1165 V1166 I1170 H1171 R1172M1006-Y1168 HydrophobicContact CE-CD2 3.8Å; M1006-Y1168 HydrophobicContact CE-CE1 4.11Å; M1006-Y1168 HydrophobicContact CE-CE2 3.25Å; M1006-Y1168 HydrophobicContact CE-CG 4.44Å; M1006-Y1168 VanDerWaalsContact CE-CZ 3.41Å; M1006-Y1168 HydrophobicContact SD-CD1 3.5Å; M1006-Y1168 VanDerWaalsContact SD-CD1 3.5Å; M1006-Y1168 HydrophobicContact SD-CD2 3.42Å; M1006-Y1168 WeakPolarHBondContact SD-CD2 3.44Å; M1006-Y1168 HydrophobicContact SD-CE1 3.44Å; M1006-Y1168 WeakPolarHBondContact SD-CE1 3.23Å; M1006-Y1168 HydrophobicContact SD-CE2 3.4Å; M1006-Y1168 WeakPolarHBondContact SD-CE2 3.26Å; M1006-Y1168 HydrophobicContact SD-CG 3.49Å; V1164-Y1168 WeakPolarHBondContact O-CB 3.42Å; V1164-Y1168 PolarHBondContact O-N 3.11Å; M1165-Y1168 PolarHBondContact O-N 3.07Å; V1166-Y1168 PolarHBondContact O-N 2.62Å; Y1168-I1170 VanDerWaalsContact C-N 3.31Å; Y1168-I1170 PolarHBondContact O-N 3.08Å; Y1168-H1171 PolarHBondContact O-N 3.07Å; Y1168-R1172 HydrophobicContact CD2-CB 4.43Å; Y1168-R1172 HydrophobicContact CE2-CB 3.83Å; Y1168-R1172 HydrophobicContact CE2-CG 4.3Å; Y1168-R1172 PolarHBondContact O-N 3.23Å; Y1168-R1172 WeakPolarHBondContact OH-CD 3.42Å
1169S65.1Low55.7Low26 Ų2653.7 Ų53.718%0.18226%0.255CS..Hα-helixtrans-57.5-42.9177.1-74.40000112.1L249 M1165 V1166 L1167 H1171 R1172 I1173L249-S1169 VanDerWaalsContact CD1-CB 3.46Å; M1165-S1169 PolarHBondContact O-N 3.28Å; M1165-S1169 PolarHBondContact O-OG 2.97Å; V1166-S1169 PolarHBondContact O-N 3.49Å; L1167-S1169 PolarHBondContact O-N 3.41Å; S1169-H1171 VanDerWaalsContact C-N 3.28Å; S1169-H1171 PolarHBondContact O-N 3.2Å; S1169-R1172 PolarHBondContact O-N 3.33Å; S1169-I1173 WeakPolarHBondContact O-CD1 3.45Å; S1169-I1173 PolarHBondContact O-N 3.33Å
1170I64.7Low54.7Low1 Ų160.3 Ų60.31%0.00529%0.288CS..Hα-helixtrans-54.4-41.7172.7-69.9165.8000111.9L249 I253 L1083 L1087 L1121 V1166 L1167 Y1168 T1174L249-I1170 HydrophobicContact CD1-CG1 4.21Å; L249-I1170 HydrophobicContact CD2-CB 4.4Å; L249-I1170 HydrophobicContact CD2-CG1 3.81Å; L249-I1170 HydrophobicContact CG-CG1 4.39Å; I253-I1170 HydrophobicContact CD1-CD1 4.32Å; I253-I1170 HydrophobicContact CD1-CG1 4.49Å; L1083-I1170 HydrophobicContact CB-CG2 3.6Å; L1083-I1170 HydrophobicContact CD1-CG2 3.91Å; L1083-I1170 HydrophobicContact CG-CG2 4.4Å; L1087-I1170 HydrophobicContact CD2-CD1 4.43Å; L1121-I1170 HydrophobicContact CD1-CD1 4.21Å; V1166-I1170 HydrophobicContact CG1-CD1 4.14Å; V1166-I1170 WeakPolarHBondContact O-CG1 3.38Å; V1166-I1170 PolarHBondContact O-N 3.23Å; V1166-I1170 VanDerWaalsContact O-N 3.11Å; L1167-I1170 WeakPolarHBondContact O-CB 3.5Å; L1167-I1170 PolarHBondContact O-N 3.35Å; Y1168-I1170 VanDerWaalsContact C-N 3.31Å; Y1168-I1170 PolarHBondContact O-N 3.08Å; I1170-T1174 PolarHBondContact O-OG1 2.95Å
1171H60.8Low53.4Low5 Ų565.4 Ų65.42%0.02332%0.323CS..Hα-helixtrans-76.9-40.5-179.8-67.171.5000112.9F1009 S1013 Q1084 L1167 Y1168 S1169 I1173 T1174 M1175F1009-H1171 HydrophobicContact CB-CB 3.98Å; F1009-H1171 HydrophobicContact CD1-CB 4.13Å; F1009-H1171 AromaticContact CD1-CD2 3.99Å; F1009-H1171 HydrophobicContact CD2-CB 4.3Å; F1009-H1171 HydrophobicContact CG-CB 3.9Å; F1009-H1171 PolarHBondContact O-NE2 2.88Å; S1013-H1171 PolarHBondContact OG-CE1 3.35Å; S1013-H1171 PolarHBondContact OG-NE2 2.94Å; Q1084-H1171 PolarHBondContact NE2-CD2 3.3Å; Q1084-H1171 VanDerWaalsContact NE2-CD2 3.28Å; Q1084-H1171 PolarHBondContact NE2-NE2 3.08Å; L1167-H1171 PolarHBondContact O-N 3.38Å; L1167-H1171 PolarHBondContact O-ND1 2.84Å; Y1168-H1171 PolarHBondContact O-N 3.07Å; S1169-H1171 VanDerWaalsContact C-N 3.28Å; S1169-H1171 PolarHBondContact O-N 3.2Å; H1171-I1173 VanDerWaalsContact C-N 3.32Å; H1171-I1173 PolarHBondContact O-N 2.72Å; H1171-T1174 PolarHBondContact O-N 2.75Å; H1171-T1174 PolarHBondContact O-OG1 2.88Å; H1171-M1175 PolarHBondContact O-N 3.18Å
1172R61.7Low52Low141 Ų14169.9 Ų69.953%0.53234%0.336SS..Hα-helixtrans-58.6-45.4-179.7-171.5-174-178.7-176.20.1111.2Y1168 S1169 F1176Y1168-R1172 HydrophobicContact CD2-CB 4.43Å; Y1168-R1172 HydrophobicContact CE2-CB 3.83Å; Y1168-R1172 HydrophobicContact CE2-CG 4.3Å; Y1168-R1172 PolarHBondContact O-N 3.23Å; Y1168-R1172 WeakPolarHBondContact OH-CD 3.42Å; S1169-R1172 PolarHBondContact O-N 3.33Å; R1172-F1176 WeakPolarHBondContact O-CD2 3.46Å; R1172-F1176 PolarHBondContact O-N 3.35Å
1173I59.7Low50.6Low42 Ų4271.5 Ų71.522%0.21534%0.343CS..Hα-helixtrans-67.9-36.4-177.5-79153.8000112.3P246 L249 S1169 H1171P246-I1173 HydrophobicContact CB-CD1 4.47Å; P246-I1173 HydrophobicContact CG-CD1 3.69Å; P246-I1173 HydrophobicContact CG-CG1 4.02Å; P246-I1173 HydrophobicContact CG-CG2 3.96Å; L249-I1173 HydrophobicContact CB-CD1 4.11Å; L249-I1173 HydrophobicContact CD2-CD1 3.56Å; L249-I1173 HydrophobicContact CG-CD1 4.47Å; S1169-I1173 WeakPolarHBondContact O-CD1 3.45Å; S1169-I1173 PolarHBondContact O-N 3.33Å; H1171-I1173 VanDerWaalsContact C-N 3.32Å; H1171-I1173 PolarHBondContact O-N 2.72Å
1174T51Low48.8Very low45 Ų4583.5 Ų83.528%0.27639%0.389SS..Hα-helixtrans-77.8-23.6-176.145.10000114.4T1081 L1083 I1170 H1171T1081-T1174 PolarHBondContact OG1-OG1 3.45Å; L1083-T1174 HydrophobicContact CB-CG2 4.24Å; L1083-T1174 HydrophobicContact CD1-CG2 3.65Å; L1083-T1174 HydrophobicContact CG-CG2 3.94Å; I1170-T1174 PolarHBondContact O-OG1 2.95Å; H1171-T1174 PolarHBondContact O-N 2.75Å; H1171-T1174 PolarHBondContact O-OG1 2.88Å
1175M47.9Very low47.2Very low41 Ų4186.6 Ų86.620%0.20242%0.421CS..Hα-helixtrans-83.7-40.8175.4-88.2-76-157.300114.3F1009 M1079 H1171 R1177F1009-M1175 HydrophobicContact CE1-CE 3.88Å; F1009-M1175 HydrophobicContact CE1-CG 3.77Å; F1009-M1175 HydrophobicContact CZ-CB 4.47Å; F1009-M1175 HydrophobicContact CZ-CE 4.41Å; F1009-M1175 HydrophobicContact CZ-CG 3.84Å; M1079-M1175 HydrophobicContact CE-CE 3.44Å; M1079-M1175 VanDerWaalsContact CE-CE 3.44Å; M1079-M1175 HydrophobicContact CE-SD 4Å; H1171-M1175 PolarHBondContact O-N 3.18Å; M1175-R1177 PolarHBondContact O-N 2.96Å
1176F42.9Very low45.4Very low124 Ų12491.7 Ų91.754%0.54444%0.435SS..Hα-helixtrans-79.1-18.6-165.2-90.4-89.1000115.7R1172 K1178 N1179R1172-F1176 WeakPolarHBondContact O-CD2 3.46Å; R1172-F1176 PolarHBondContact O-N 3.35Å; F1176-K1178 VanDerWaalsContact C-N 3.29Å; F1176-K1178 PolarHBondContact O-N 2.81Å; F1176-K1178 VanDerWaalsContact O-N 3.12Å; F1176-N1179 PolarHBondContact O-N 2.84Å
1177R40.7Very low43.7Very low155 Ų15596.8 Ų96.859%0.58547%0.466SS*.THydrogen-bonded Turntrans-67.3-12.1-169.7-101.5-172.8171.7-164.7-0.7116.9F244 M1175F244-R1177 VanDerWaalsContact CD1-CZ 3.48Å; F244-R1177 VanDerWaalsContact CD1-NH1 3.31Å; M1175-R1177 PolarHBondContact O-N 2.96Å
1178K36.8Very low41.7Very low112 Ų112104.4 Ų104.449%0.48751%0.507SS..THydrogen-bonded Turntrans-101.3-27.7177.8-82.4-178.1178.7170.20115.4P1057 F1176 L1180 C1181P1057-K1178 PolarHBondContact O-NZ 2.8Å; F1176-K1178 VanDerWaalsContact C-N 3.29Å; F1176-K1178 PolarHBondContact O-N 2.81Å; F1176-K1178 VanDerWaalsContact O-N 3.12Å; K1178-L1180 VanDerWaalsContact C-N 3.28Å; K1178-L1180 PolarHBondContact O-N 3.08Å; K1178-C1181 PolarHBondContact O-N 3.3Å
1179N33Very low39.9Very low99 Ų99108.3 Ų108.353%0.52954%0.536SS..G310 helixtrans-68.7-27.6-171.3-74.2-13.5000113.3F1176 C1181 Y1182 S1183F1176-N1179 PolarHBondContact O-N 2.84Å; N1179-C1181 PolarHBondContact O-N 2.99Å; N1179-C1181 VanDerWaalsContact O-N 3.07Å; N1179-Y1182 PolarHBondContact O-N 3.09Å; N1179-Y1182 VanDerWaalsContact O-N 3.11Å; N1179-S1183 PolarHBondContact O-N 3.33Å; N1179-S1183 PolarHBondContact O-OG 3.19Å
1180L30Very low38.1Very low151 Ų151114.8 Ų114.879%0.79157%0.567SS**G310 helixtrans-58.1-18.8176.2-79.4162.1000114.5K1178K1178-L1180 VanDerWaalsContact C-N 3.28Å; K1178-L1180 PolarHBondContact O-N 3.08Å
1181C29.3Very low36.2Very low110 Ų110123.2 Ų123.274%0.74361%0.606SS**G310 helixtrans-92.6-14178.5-650000114.5K1178 N1179K1178-C1181 PolarHBondContact O-N 3.3Å; N1179-C1181 PolarHBondContact O-N 2.99Å; N1179-C1181 VanDerWaalsContact O-N 3.07Å
1182Y28.2Very low34.5Very low207 Ų207131.9 Ų131.981%0.81265%0.647SS**THydrogen-bonded Turntrans-115.9-20.2-176.5-88.4-85.7000114.4N1179 R1184N1179-Y1182 PolarHBondContact O-N 3.09Å; N1179-Y1182 VanDerWaalsContact O-N 3.11Å; Y1182-R1184 VanDerWaalsContact C-N 3.29Å; Y1182-R1184 PolarHBondContact O-N 2.94Å; Y1182-R1184 VanDerWaalsContact O-N 3.08Å
1183S27.2Very low32.8Very low60 Ų60131.1 Ų131.142%0.4266%0.661SS.*  trans-8646.4-177.968.60000114.5N1179 G1185N1179-S1183 PolarHBondContact O-N 3.33Å; N1179-S1183 PolarHBondContact O-OG 3.19Å; S1183-G1185 VanDerWaalsContact C-N 3.32Å
1184R26.6Very low31Very low254 Ų254133.9 Ų133.996%0.95869%0.685SS**SBendtrans-86.21.5171.9-121.1-177.8-173-173.82.1114.3Y1182Y1182-R1184 VanDerWaalsContact C-N 3.29Å; Y1182-R1184 PolarHBondContact O-N 2.94Å; Y1182-R1184 VanDerWaalsContact O-N 3.08Å
1185G27Very low29.8Very low67 Ų67146.4 Ų146.469%0.69173%0.729SS**SBendtrans-117.1-3.7-179.500000116.4S1183S1183-G1185 VanDerWaalsContact C-N 3.32Å
1186Y27.3Very low28.9Very low222 Ų222151.7 Ų151.787%0.87176%0.755SS**  trans-139.975.8179.9-89.7-86.7000110.8
1187V26Very low28.2Very low116 Ų116153.1 Ų153.170%0.70377%0.766SS**  trans-12890.1172.2-178.80000108.2
1188N24.7Very low27.5Very low164 Ų164153 Ų15388%0.87778%0.776SS**SBendtrans-165.717.7170.6-112.1-9.5000114.7
1189T27.7Very low26.9Very low132 Ų132155.4 Ų155.481%0.8179%0.793SS**SBendtrans-151.412.1-172.7-23.60000116
1190I27.7Very low26.5Very low163 Ų163158.9 Ų158.984%0.83681%0.81SS**  trans-137.485.1172.9-51.1179.2000109
1191Q23.6Very low26.3Very low177 Ų177159.5 Ų159.583%0.82781%0.811SS**  trans-139.410.5176.6-148.7171.30.300113.9
1192H26Very low26.1Very low188 Ų188163 Ų16387%0.8782%0.816SS**  trans-128.974.5175.5-71.2-56.6000111.1
1193C25Very low25.9Very low124 Ų124159.6 Ų159.684%0.83882%0.816SS**  trans-156.762.3167.4-93.30000108.3
1194S22.8Very low25.8Very low101 Ų101167.9 Ų167.971%0.70685%0.849SS**  trans-153.653.1-179.464.30000111.2
1195Y25.7Very low25.8Very low307 Ų307160.1 Ų160.1100%1.20484%0.839SS**  trans-154.40157.9-100.2-71.4000107.3

Retrieved 1,195 of 1,195 residues in 253 ms (Link to these results)

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