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U2 small nuclear ribonucleoprotein A'

Involved in pre-mRNA splicing as component of the spliceosome. Associated with sn-RNP U2, where it contributes to the binding of stem loop IV of U2 snRNA.

AlphaFold DB , UniProt , Accession Q4R8Y8, Species MACFA (Macaca fascicularis, Crab-eating macaque), Gene SNRPA1, Length 255 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
1M72.6Confident93.3Very high157 Ų15780.7 Ų80.777%0.77341%0.408SS*.  0118.90-175.4179-8200106.2P32M1-P32 HydrophobicContact CE-CB 3.67Å; M1-P32 HydrophobicContact CE-CG 4.36Å; M1-P32 HydrophobicContact CG-CB 3.75Å; M1-P32 HydrophobicContact CG-CG 3.48Å; M1-P32 VanDerWaalsContact CG-CG 3.48Å; M1-P32 HydrophobicContact SD-CB 3.59Å; M1-P32 VanDerWaalsContact SD-CB 3.59Å; M1-P32 HydrophobicContact SD-CG 3.61Å
2V85.9Confident93.7Very high67 Ų6774.4 Ų74.441%0.40638%0.377SS..  trans-109.6129.7-178.2-175.80000107.4L8 Y29 K30 P32V2-L8 HydrophobicContact CG1-CD2 4.34Å; V2-Y29 VanDerWaalsContact CB-O 3.28Å; V2-Y29 WeakPolarHBondContact CB-O 3.45Å; V2-Y29 VanDerWaalsContact CG2-O 3.28Å; V2-Y29 WeakPolarHBondContact CG2-O 3.34Å; V2-K30 PolarHBondContact N-O 2.68Å; V2-P32 WeakPolarHBondContact O-CD 3.46Å
3K93.5Very high94Very high145 Ų14572.8 Ų72.863%0.6338%0.382SS*.  trans-72.4146.3175.4-70.1-172.2177.5-175.60109.7T5K3-T5 HydrophobicContact CB-CG2 4.23Å; K3-T5 PolarHBondContact O-N 3.37Å
4L96.4Very high94.3Very high0 Ų073.4 Ų73.40%038%0.382CS..  trans-79.688.8173.9-178.455.9000108.9L8 I9 L26 I31 E35 N36 L37 F49L4-L8 HydrophobicContact CD1-CD2 3.97Å; L4-I9 HydrophobicContact CD1-CD1 4.03Å; L4-I9 HydrophobicContact CD1-CG1 3.66Å; L4-I9 HydrophobicContact CG-CD1 4.15Å; L4-I9 HydrophobicContact CG-CG1 4.34Å; L4-L26 HydrophobicContact CD1-CD1 4.11Å; L4-L26 HydrophobicContact CD1-CD2 4.16Å; L4-I31 HydrophobicContact CB-CG2 3.98Å; L4-I31 HydrophobicContact CD1-CD1 4.05Å; L4-E35 HydrophobicContact CB-CG 4.05Å; L4-E35 VanDerWaalsContact CD2-O 3.24Å; L4-E35 WeakPolarHBondContact CD2-O 3.36Å; L4-E35 WeakPolarHBondContact CG-O 3.4Å; L4-N36 WeakPolarHBondContact O-CB 3.39Å; L4-N36 PolarHBondContact O-ND2 3.44Å; L4-L37 HydrophobicContact CD2-CD2 4.12Å; L4-L37 HydrophobicContact CD2-CG 4.31Å; L4-F49 HydrophobicContact CD2-CE1 3.78Å; L4-F49 HydrophobicContact CD2-CZ 3.97Å
5T97.1Very high94.5Very high59 Ų5973.8 Ų73.836%0.36238%0.377SS..  trans-90.5160.1179.555.30000111.8K3 E7 L8 I9K3-T5 HydrophobicContact CB-CG2 4.23Å; K3-T5 PolarHBondContact O-N 3.37Å; T5-E7 VanDerWaalsContact C-N 3.3Å; T5-E7 PolarHBondContact O-N 3Å; T5-L8 WeakPolarHBondContact O-CB 3.38Å; T5-L8 PolarHBondContact O-N 3.43Å; T5-L8 WeakPolarHBondContact OG1-CB 3.38Å; T5-L8 PolarHBondContact OG1-N 2.88Å; T5-I9 PolarHBondContact O-N 2.94Å; T5-I9 VanDerWaalsContact O-N 3.16Å
6A96.7Very high94.8Very high42 Ų4275.6 Ų75.635%0.34739%0.393SS..Hα-helixtrans-56.5-43.3172.500000112.3L8 I9 E10 A39A6-L8 VanDerWaalsContact C-N 3.33Å; A6-L8 PolarHBondContact O-N 3.25Å; A6-I9 WeakPolarHBondContact O-CB 3.49Å; A6-I9 PolarHBondContact O-N 3.31Å; A6-E10 WeakPolarHBondContact O-CG 3.44Å; A6-E10 PolarHBondContact O-N 3.43Å; A6-A39 HydrophobicContact CB-CB 3.82Å
7E97Very high95Very high123 Ų12372.6 Ų72.658%0.57538%0.378SS*.Hα-helixtrans-59.3-41.5177.4-177.2172.8179.700112.6T5 I9 E10 Q11T5-E7 VanDerWaalsContact C-N 3.3Å; T5-E7 PolarHBondContact O-N 3Å; E7-I9 VanDerWaalsContact C-N 3.33Å; E7-I9 PolarHBondContact O-N 3.39Å; E7-E10 PolarHBondContact O-N 3.15Å; E7-Q11 WeakPolarHBondContact O-CB 3.46Å; E7-Q11 VanDerWaalsContact O-CG 3.29Å; E7-Q11 WeakPolarHBondContact O-CG 3.14Å; E7-Q11 PolarHBondContact O-N 3.05Å; E7-Q11 PolarHBondContact OE1-NE2 3.26Å
8L97.2Very high95.1Very high19 Ų1974.7 Ų74.710%0.09941%0.407CS..Hα-helixtrans-60.9-41.9174.3-178.567.2000111.7V2 L4 T5 A6 Q11 A12 Y29 I31V2-L8 HydrophobicContact CG1-CD2 4.34Å; L4-L8 HydrophobicContact CD1-CD2 3.97Å; T5-L8 WeakPolarHBondContact O-CB 3.38Å; T5-L8 PolarHBondContact O-N 3.43Å; T5-L8 WeakPolarHBondContact OG1-CB 3.38Å; T5-L8 PolarHBondContact OG1-N 2.88Å; A6-L8 VanDerWaalsContact C-N 3.33Å; A6-L8 PolarHBondContact O-N 3.25Å; L8-Q11 PolarHBondContact O-N 3.49Å; L8-A12 VanDerWaalsContact O-CB 3.29Å; L8-A12 WeakPolarHBondContact O-CB 3.48Å; L8-A12 PolarHBondContact O-N 3.43Å; L8-Y29 HydrophobicContact CD1-CD1 3.71Å; L8-Y29 HydrophobicContact CD1-CE1 3.62Å; L8-Y29 HydrophobicContact CD1-CG 4.25Å; L8-Y29 HydrophobicContact CD2-CD1 4.45Å; L8-Y29 HydrophobicContact CD2-CG 4.3Å; L8-I31 HydrophobicContact CD2-CD1 4.43Å
9I97.5Very high95.2Very high4 Ų476.4 Ų76.42%0.02142%0.42CS..Hα-helixtrans-65.4-41.4178.3-68.7166000110.7L4 T5 A6 E7 A12 L24 N36 L37 A39 T40L4-I9 HydrophobicContact CD1-CD1 4.03Å; L4-I9 HydrophobicContact CD1-CG1 3.66Å; L4-I9 HydrophobicContact CG-CD1 4.15Å; L4-I9 HydrophobicContact CG-CG1 4.34Å; T5-I9 PolarHBondContact O-N 2.94Å; T5-I9 VanDerWaalsContact O-N 3.16Å; A6-I9 WeakPolarHBondContact O-CB 3.49Å; A6-I9 PolarHBondContact O-N 3.31Å; E7-I9 VanDerWaalsContact C-N 3.33Å; E7-I9 PolarHBondContact O-N 3.39Å; I9-A12 PolarHBondContact O-N 3.04Å; I9-L24 HydrophobicContact CG2-CD2 4.12Å; I9-N36 VanDerWaalsContact CD1-O 3.3Å; I9-N36 WeakPolarHBondContact CD1-O 3.41Å; I9-L37 HydrophobicContact CD1-CD2 4.09Å; I9-A39 HydrophobicContact CB-CB 4.41Å; I9-A39 HydrophobicContact CD1-CB 4.11Å; I9-A39 HydrophobicContact CG2-CB 4.24Å; I9-T40 HydrophobicContact CG2-CG2 3.84Å
10E95.8Very high95.3Very high136 Ų13683.5 Ų83.564%0.63644%0.44SS*.Hα-helixtrans-66-37.4178.6-72.2173.6-171.300112.4A6 E7A6-E10 WeakPolarHBondContact O-CG 3.44Å; A6-E10 PolarHBondContact O-N 3.43Å; E7-E10 PolarHBondContact O-N 3.15Å
11Q96.7Very high95.5Very high136 Ų13681 Ų8164%0.63643%0.427SS*.Hα-helixtrans-84.4-17.6-179.6-67.5173.48.700113.9E7 L8E7-Q11 WeakPolarHBondContact O-CB 3.46Å; E7-Q11 VanDerWaalsContact O-CG 3.29Å; E7-Q11 WeakPolarHBondContact O-CG 3.14Å; E7-Q11 PolarHBondContact O-N 3.05Å; E7-Q11 PolarHBondContact OE1-NE2 3.26Å; L8-Q11 PolarHBondContact O-N 3.49Å
12A97.8Very high96.7Very high5 Ų577.3 Ų77.34%0.04140%0.404CS..SBendtrans-62.6152-179.900000112L8 I9 Q14 L24 L26L8-A12 VanDerWaalsContact O-CB 3.29Å; L8-A12 WeakPolarHBondContact O-CB 3.48Å; L8-A12 PolarHBondContact O-N 3.43Å; I9-A12 PolarHBondContact O-N 3.04Å; A12-Q14 PolarHBondContact O-N 3.28Å; A12-L24 HydrophobicContact CB-CD1 3.86Å; A12-L26 HydrophobicContact CB-CD2 3.76Å
13A97.8Very high97.3Very high53 Ų5374.8 Ų74.844%0.43839%0.388SS..EExtended strand (participates in β ladder)trans-66.6135.9179.100000110.6D25A13-D25 HydrophobicContact CB-CB 4.16Å; A13-D25 PolarHBondContact O-N 2.85Å
14Q97.5Very high97.6Very high81 Ų8167.9 Ų67.938%0.37936%0.358SS..EExtended strand (participates in β ladder)trans-132.2128.1-179.4-60.1172.95200108.3A12 E23 L24 F44A12-Q14 PolarHBondContact O-N 3.28Å; Q14-E23 WeakPolarHBondContact CA-O 3.4Å; Q14-L24 HydrophobicContact CG-CD1 3.68Å; Q14-F44 HydrophobicContact CB-CE1 4.14Å; Q14-F44 HydrophobicContact CG-CE1 3.75Å; Q14-F44 HydrophobicContact CG-CZ 3.91Å
15Y98.4Very high97.7Very high80 Ų8069.3 Ų69.331%0.31437%0.366SS..EExtended strand (participates in β ladder)trans-154.2170.4-176.452.2-98.6000111.7N17 E23 D25 R27Y15-N17 HydrophobicContact CD2-CB 4.34Å; Y15-N17 HydrophobicContact CE2-CB 4.04Å; Y15-E23 HydrophobicContact CD2-CB 4.32Å; Y15-E23 HydrophobicContact CE2-CB 3.93Å; Y15-E23 HydrophobicContact CE2-CG 4.2Å; Y15-E23 PolarHBondContact N-O 3.24Å; Y15-E23 VanDerWaalsContact N-O 3.12Å; Y15-E23 PolarHBondContact O-N 3.2Å; Y15-E23 PolarHBondContact OH-OE1 3.04Å; Y15-D25 HydrophobicContact CE1-CB 3.9Å; Y15-R27 PolarHBondContact OH-NH2 3.19Å
16T98.3Very high97.7Very high103 Ų10366.5 Ų66.563%0.63235%0.349SS*.EExtended strand (participates in β ladder)trans-88.2120.6165.8-58.90000108.6R20 D21T16-R20 HydrophobicContact CG2-CB 4.44Å; T16-D21 CarbonylContact C-O 3.58Å; T16-D21 WeakPolarHBondContact CA-O 3.3Å
17N98.1Very high97.8Very high25 Ų2569 Ų6913%0.13435%0.349CS..  trans-79.6-179.5-17772.415.3000112.4Y15 V19 R20 D21 E23Y15-N17 HydrophobicContact CD2-CB 4.34Å; Y15-N17 HydrophobicContact CE2-CB 4.04Å; N17-V19 PolarHBondContact O-N 3.31Å; N17-V19 VanDerWaalsContact O-N 3.17Å; N17-V19 WeakPolarHBondContact OD1-CG2 3.31Å; N17-V19 PolarHBondContact OD1-N 3.21Å; N17-R20 PolarHBondContact O-N 2.96Å; N17-R20 PolarHBondContact OD1-N 3.27Å; N17-D21 PolarHBondContact N-O 3.48Å; N17-D21 PolarHBondContact OD1-N 3.4Å; N17-D21 PolarHBondContact OD1-O 3.49Å; N17-E23 HydrophobicContact CB-CB 4.13Å; N17-E23 VanDerWaalsContact CB-OE2 3.26Å; N17-E23 WeakPolarHBondContact CB-OE2 3.49Å; N17-E23 PolarHBondContact ND2-OE2 3.48Å
18A97.9Very high97.8Very high110 Ų11065.3 Ų65.391%0.90934%0.344SS*.THydrogen-bonded Turntrans-63.5-21.2-176.300000114.5
19V97.1Very high97.8Very high106 Ų10668.4 Ų68.464%0.64236%0.355SS*.THydrogen-bonded Turntrans-97.610.6176.1-61.60000112.8N17 D21N17-V19 PolarHBondContact O-N 3.31Å; N17-V19 VanDerWaalsContact O-N 3.17Å; N17-V19 WeakPolarHBondContact OD1-CG2 3.31Å; N17-V19 PolarHBondContact OD1-N 3.21Å; V19-D21 VanDerWaalsContact C-N 3.32Å; V19-D21 HydrophobicContact CG2-CB 4.26Å
20R97.7Very high97.8Very high219 Ų21973.9 Ų73.983%0.82638%0.379SS*.SBendtrans69.622.2178.6-51.6178176.3173.7-2115.1T16 N17T16-R20 HydrophobicContact CG2-CB 4.44Å; N17-R20 PolarHBondContact O-N 2.96Å; N17-R20 PolarHBondContact OD1-N 3.27Å
21D98.2Very high97.9Very high31 Ų3167.4 Ų67.417%0.16635%0.349CS..  trans-90.3147.1172.2-83.8-21.4000110.5T16 N17 V19 E23 D45T16-D21 CarbonylContact C-O 3.58Å; T16-D21 WeakPolarHBondContact CA-O 3.3Å; N17-D21 PolarHBondContact N-O 3.48Å; N17-D21 PolarHBondContact OD1-N 3.4Å; N17-D21 PolarHBondContact OD1-O 3.49Å; V19-D21 VanDerWaalsContact C-N 3.32Å; V19-D21 HydrophobicContact CG2-CB 4.26Å; D21-E23 PolarHBondContact O-N 2.63Å; D21-D45 HydrophobicContact CB-CB 3.61Å
22R98.6Very high97.9Very high80 Ų8061.9 Ų61.930%0.30232%0.324SS..EExtended strand (participates in β ladder)trans-78.2116.7171.3-172.1177172.5-164.8-7.1108.9Q43 F44 D45 A46R22-Q43 WeakPolarHBondContact CD-O 3.3Å; R22-Q43 VanDerWaalsContact NH2-OE1 3.08Å; R22-F44 HydrophobicContact CG-CD1 3.88Å; R22-F44 HydrophobicContact CG-CE1 4.28Å; R22-D45 PolarHBondContact N-OD2 3.28Å; R22-D45 PolarHBondContact O-N 3.36Å; R22-A46 PolarHBondContact O-N 2.92Å; R22-A46 VanDerWaalsContact O-N 3.12Å
23E98.7Very high97.9Very high14 Ų1465.4 Ų65.47%0.06535%0.345CS..EExtended strand (participates in β ladder)trans-113.2137.3-173-171171.7119.900111.5Q14 Y15 N17 D21 A46Q14-E23 WeakPolarHBondContact CA-O 3.4Å; Y15-E23 HydrophobicContact CD2-CB 4.32Å; Y15-E23 HydrophobicContact CE2-CB 3.93Å; Y15-E23 HydrophobicContact CE2-CG 4.2Å; Y15-E23 PolarHBondContact N-O 3.24Å; Y15-E23 VanDerWaalsContact N-O 3.12Å; Y15-E23 PolarHBondContact O-N 3.2Å; Y15-E23 PolarHBondContact OH-OE1 3.04Å; N17-E23 HydrophobicContact CB-CB 4.13Å; N17-E23 VanDerWaalsContact CB-OE2 3.26Å; N17-E23 WeakPolarHBondContact CB-OE2 3.49Å; N17-E23 PolarHBondContact ND2-OE2 3.48Å; D21-E23 PolarHBondContact O-N 2.63Å; E23-A46 WeakPolarHBondContact CA-O 3.49Å; E23-A46 HydrophobicContact CB-CB 4.21Å; E23-A46 HydrophobicContact CG-CB 4.01Å
24L98.7Very high97.9Very high0 Ų063.1 Ų63.10%033%0.325CS..EExtended strand (participates in β ladder)trans-102.5123168.4179.866.8000109.4I9 A12 Q14 L26 T40 F44 A46 I47 D48I9-L24 HydrophobicContact CG2-CD2 4.12Å; A12-L24 HydrophobicContact CB-CD1 3.86Å; Q14-L24 HydrophobicContact CG-CD1 3.68Å; L24-L26 HydrophobicContact CD2-CD1 3.82Å; L24-L26 HydrophobicContact CD2-CD2 4.46Å; L24-L26 HydrophobicContact CD2-CG 4.07Å; L24-L26 HydrophobicContact CG-CD1 4.3Å; L24-L26 HydrophobicContact CG-CD2 4.44Å; L24-L26 HydrophobicContact CG-CG 4.03Å; L24-T40 HydrophobicContact CD2-CG2 3.88Å; L24-F44 HydrophobicContact CB-CD1 3.66Å; L24-F44 HydrophobicContact CB-CD2 4.23Å; L24-F44 HydrophobicContact CB-CE1 3.74Å; L24-F44 HydrophobicContact CB-CE2 4.3Å; L24-F44 HydrophobicContact CB-CG 3.92Å; L24-F44 HydrophobicContact CB-CZ 4.06Å; L24-F44 HydrophobicContact CD1-CE1 4.17Å; L24-F44 HydrophobicContact CD1-CE2 4.48Å; L24-F44 HydrophobicContact CD1-CZ 3.93Å; L24-F44 HydrophobicContact CD2-CD2 4.45Å; L24-F44 HydrophobicContact CD2-CE2 4.21Å; L24-F44 HydrophobicContact CD2-CZ 4.45Å; L24-F44 HydrophobicContact CG-CE1 4.47Å; L24-F44 HydrophobicContact CG-CZ 4.37Å; L24-A46 PolarHBondContact N-O 2.89Å; L24-I47 HydrophobicContact CB-CG1 4.24Å; L24-D48 PolarHBondContact O-N 3.49Å
25D98.5Very high97.8Very high30 Ų3062.2 Ų62.216%0.1632%0.321CS..EExtended strand (participates in β ladder)trans-95.1105.2-179.8-170.7-9.3000111.3A13 Y15 R27A13-D25 HydrophobicContact CB-CB 4.16Å; A13-D25 PolarHBondContact O-N 2.85Å; Y15-D25 HydrophobicContact CE1-CB 3.9Å; D25-R27 VanDerWaalsContact CG-NE 3.33Å; D25-R27 WeakPolarHBondContact OD1-CB 3.28Å; D25-R27 WeakPolarHBondContact OD1-CG 3.28Å; D25-R27 IonicContact OD1-CZ 3.17Å; D25-R27 PolarHBondContact OD1-N 2.73Å; D25-R27 IonicContact OD1-NE 3.6Å; D25-R27 PolarHBondContact OD1-NE 3.37Å; D25-R27 IonicContact OD1-NH2 2.62Å; D25-R27 IonicContact OD2-CZ 2.7Å; D25-R27 IonicContact OD2-NE 3.46Å; D25-R27 PolarHBondContact OD2-NE 2.91Å; D25-R27 VanDerWaalsContact OD2-NE 3.17Å; D25-R27 IonicContact OD2-NH2 2.75Å; D25-R27 PolarHBondContact OD2-NH2 2.91Å
26L98.4Very high97.8Very high0 Ų062.4 Ų62.40%033%0.328CS..  trans-111.327.8175-64.3172.8000111.3L4 A12 L24 I31 L37 I47 D48 F49 N52L4-L26 HydrophobicContact CD1-CD1 4.11Å; L4-L26 HydrophobicContact CD1-CD2 4.16Å; A12-L26 HydrophobicContact CB-CD2 3.76Å; L24-L26 HydrophobicContact CD2-CD1 3.82Å; L24-L26 HydrophobicContact CD2-CD2 4.46Å; L24-L26 HydrophobicContact CD2-CG 4.07Å; L24-L26 HydrophobicContact CG-CD1 4.3Å; L24-L26 HydrophobicContact CG-CD2 4.44Å; L24-L26 HydrophobicContact CG-CG 4.03Å; L26-I31 HydrophobicContact CB-CD1 4.23Å; L26-L37 HydrophobicContact CD1-CD2 4.47Å; L26-I47 HydrophobicContact CD1-CG2 3.96Å; L26-D48 CarbonylContact C-O 3.59Å; L26-D48 VanDerWaalsContact C-O 3.28Å; L26-D48 VanDerWaalsContact CA-O 3.27Å; L26-D48 WeakPolarHBondContact CA-O 3.33Å; L26-D48 WeakPolarHBondContact CB-O 3.42Å; L26-D48 PolarHBondContact N-O 3.22Å; L26-F49 HydrophobicContact CB-CD1 3.9Å; L26-F49 HydrophobicContact CB-CE1 4.02Å; L26-F49 HydrophobicContact CD1-CD1 4.05Å; L26-F49 HydrophobicContact CD1-CE1 3.33Å; L26-F49 HydrophobicContact CD1-CE2 4.43Å; L26-F49 HydrophobicContact CD1-CZ 3.58Å; L26-F49 HydrophobicContact CG-CE1 4.32Å; L26-N52 PolarHBondContact O-ND2 3.14Å
27R98.1Very high97.8Very high94 Ų9457.6 Ų57.636%0.35530%0.298SS..THydrogen-bonded Turntrans-70.1144.7-178.7-68.9179.2-83.9-142.24.7113.2Y15 D25 Y29 D48 S50Y15-R27 PolarHBondContact OH-NH2 3.19Å; D25-R27 VanDerWaalsContact CG-NE 3.33Å; D25-R27 WeakPolarHBondContact OD1-CB 3.28Å; D25-R27 WeakPolarHBondContact OD1-CG 3.28Å; D25-R27 IonicContact OD1-CZ 3.17Å; D25-R27 PolarHBondContact OD1-N 2.73Å; D25-R27 IonicContact OD1-NE 3.6Å; D25-R27 PolarHBondContact OD1-NE 3.37Å; D25-R27 IonicContact OD1-NH2 2.62Å; D25-R27 IonicContact OD2-CZ 2.7Å; D25-R27 IonicContact OD2-NE 3.46Å; D25-R27 PolarHBondContact OD2-NE 2.91Å; D25-R27 VanDerWaalsContact OD2-NE 3.17Å; D25-R27 IonicContact OD2-NH2 2.75Å; D25-R27 PolarHBondContact OD2-NH2 2.91Å; R27-Y29 VanDerWaalsContact C-N 3.26Å; R27-Y29 VanDerWaalsContact O-CD2 3.28Å; R27-Y29 WeakPolarHBondContact O-CD2 3.41Å; R27-Y29 PolarHBondContact O-N 2.95Å; R27-Y29 VanDerWaalsContact O-N 3.12Å; R27-D48 WeakPolarHBondContact CD-OD2 3.48Å; R27-D48 HydrophobicContact CG-CB 4.2Å; R27-D48 IonicContact CZ-OD2 3.69Å; R27-D48 VanDerWaalsContact CZ-OD2 3.29Å; R27-D48 PolarHBondContact N-O 2.92Å; R27-D48 IonicContact NE-OD2 3.41Å; R27-D48 PolarHBondContact NE-OD2 3.43Å; R27-D48 IonicContact NH1-OD2 3.34Å; R27-D48 PolarHBondContact NH1-OD2 3.39Å; R27-S50 WeakPolarHBondContact CA-O 3.4Å
28G97.3Very high97.7Very high46 Ų4658.6 Ų58.647%0.47432%0.315SS..THydrogen-bonded Turntrans725.1164.400000117.1K30 S50 D51G28-K30 PolarHBondContact O-N 3.16Å; G28-S50 PolarHBondContact N-O 2.95Å; G28-S50 VanDerWaalsContact N-O 3.16Å; G28-D51 VanDerWaalsContact CA-O 3.31Å; G28-D51 WeakPolarHBondContact CA-O 3.41Å; G28-D51 PolarHBondContact N-O 2.97Å
29Y97.2Very high97.7Very high83 Ų8354.9 Ų54.933%0.32528%0.284SS..SBendtrans-78.2-1.7-178.2-72.5-73.4000114.3V2 L8 R27 I31 N52V2-Y29 VanDerWaalsContact CB-O 3.28Å; V2-Y29 WeakPolarHBondContact CB-O 3.45Å; V2-Y29 VanDerWaalsContact CG2-O 3.28Å; V2-Y29 WeakPolarHBondContact CG2-O 3.34Å; L8-Y29 HydrophobicContact CD1-CD1 3.71Å; L8-Y29 HydrophobicContact CD1-CE1 3.62Å; L8-Y29 HydrophobicContact CD1-CG 4.25Å; L8-Y29 HydrophobicContact CD2-CD1 4.45Å; L8-Y29 HydrophobicContact CD2-CG 4.3Å; R27-Y29 VanDerWaalsContact C-N 3.26Å; R27-Y29 VanDerWaalsContact O-CD2 3.28Å; R27-Y29 WeakPolarHBondContact O-CD2 3.41Å; R27-Y29 PolarHBondContact O-N 2.95Å; R27-Y29 VanDerWaalsContact O-N 3.12Å; Y29-I31 VanDerWaalsContact C-N 3.26Å; Y29-I31 PolarHBondContact O-N 3.22Å; Y29-N52 PolarHBondContact N-OD1 3.48Å
30K96.9Very high97.8Very high120 Ų12050.1 Ų50.152%0.52226%0.255SS..  trans57.440.1-174.6-50.8179-178.51770112.1V2 G28 N52 E53V2-K30 PolarHBondContact N-O 2.68Å; G28-K30 PolarHBondContact O-N 3.16Å; K30-N52 PolarHBondContact N-OD1 2.65Å; K30-E53 HydrophobicContact CB-CG 4.5Å
31I97.7Very high97.7Very high0 Ų045.8 Ų45.80%025%0.248CC..  trans-68.8125.2178.1-65.1160.5000109.2L4 L8 L26 Y29 V33 F49 N52 E53 I54L4-I31 HydrophobicContact CB-CG2 3.98Å; L4-I31 HydrophobicContact CD1-CD1 4.05Å; L8-I31 HydrophobicContact CD2-CD1 4.43Å; L26-I31 HydrophobicContact CB-CD1 4.23Å; Y29-I31 VanDerWaalsContact C-N 3.26Å; Y29-I31 PolarHBondContact O-N 3.22Å; I31-V33 WeakPolarHBondContact CG2-O 3.35Å; I31-F49 HydrophobicContact CD1-CD1 4.38Å; I31-F49 HydrophobicContact CD1-CE1 4.33Å; I31-N52 HydrophobicContact CB-CB 4.22Å; I31-N52 WeakPolarHBondContact CB-OD1 3.29Å; I31-N52 PolarHBondContact N-OD1 3.22Å; I31-E53 CarbonylContact O-C 3.32Å; I31-E53 VanDerWaalsContact O-C 3.26Å; I31-E53 WeakPolarHBondContact O-CA 3.26Å; I31-E53 PolarHBondContact O-N 3.14Å; I31-I54 HydrophobicContact CG2-CG1 4.22Å; I31-I54 WeakPolarHBondContact O-CG1 3.42Å; I31-I54 PolarHBondContact O-N 3.32Å; I31-I54 VanDerWaalsContact O-N 3.17Å
32P96.6Very high97.7Very high19 Ų1946.5 Ų46.512%0.12325%0.251CS..  trans-90.9-25.2-179.336-38.1000114M1 V2 I54M1-P32 HydrophobicContact CE-CB 3.67Å; M1-P32 HydrophobicContact CE-CG 4.36Å; M1-P32 HydrophobicContact CG-CB 3.75Å; M1-P32 HydrophobicContact CG-CG 3.48Å; M1-P32 VanDerWaalsContact CG-CG 3.48Å; M1-P32 HydrophobicContact SD-CB 3.59Å; M1-P32 VanDerWaalsContact SD-CB 3.59Å; M1-P32 HydrophobicContact SD-CG 3.61Å; V2-P32 WeakPolarHBondContact O-CD 3.46Å; P32-I54 WeakPolarHBondContact O-CA 3.22Å
33V97.6Very high97.7Very high79 Ų7946.5 Ų46.548%0.47926%0.255SS..SBendtrans-145.9136.3-169.4-179.10000108.1I31I31-V33 WeakPolarHBondContact CG2-O 3.35Å
34I97.7Very high97.7Very high5 Ų546.2 Ų46.23%0.02625%0.253CS..  trans-81121.1170.9-61.5175.4000107.6L37 F49 I54 L57 D58 F60I34-L37 HydrophobicContact CG2-CD1 3.46Å; I34-L37 VanDerWaalsContact CG2-CD1 3.46Å; I34-L37 HydrophobicContact CG2-CG 4.11Å; I34-F49 HydrophobicContact CD1-CE2 4.34Å; I34-F49 HydrophobicContact CG1-CE1 4.5Å; I34-F49 HydrophobicContact CG1-CZ 4.3Å; I34-F49 HydrophobicContact CG2-CZ 4.36Å; I34-I54 HydrophobicContact CD1-CD1 4.11Å; I34-I54 HydrophobicContact CD1-CG2 4.08Å; I34-I54 HydrophobicContact CG1-CD1 3.79Å; I34-I54 HydrophobicContact CG1-CG1 4.34Å; I34-I54 HydrophobicContact CG1-CG2 3.88Å; I34-L57 HydrophobicContact CD1-CD1 4.24Å; I34-D58 WeakPolarHBondContact CB-O 3.42Å; I34-F60 HydrophobicContact CD1-CE1 4.14Å; I34-F60 HydrophobicContact CD1-CE2 3.93Å; I34-F60 HydrophobicContact CD1-CZ 3.41Å; I34-F60 VanDerWaalsContact CD1-CZ 3.41Å; I34-F60 HydrophobicContact CG2-CD1 4.23Å; I34-F60 HydrophobicContact CG2-CE1 3.98Å; I34-F60 HydrophobicContact CG2-CE2 4.45Å; I34-F60 HydrophobicContact CG2-CZ 4.1Å
35E97.2Very high97.7Very high62 Ų6246.4 Ų46.429%0.2925%0.254SS..  trans-156.6168.1-178.756.4-179.2171.300109.6L4 L37L4-E35 HydrophobicContact CB-CG 4.05Å; L4-E35 VanDerWaalsContact CD2-O 3.24Å; L4-E35 WeakPolarHBondContact CD2-O 3.36Å; L4-E35 WeakPolarHBondContact CG-O 3.4Å; E35-L37 PolarHBondContact O-N 3.18Å
36N97.1Very high97.7Very high85 Ų8545 Ų4546%0.45525%0.247SC..  trans56.415.7174.3-55.2-49.2000116.5L4 I9 G38 A39L4-N36 WeakPolarHBondContact O-CB 3.39Å; L4-N36 PolarHBondContact O-ND2 3.44Å; I9-N36 VanDerWaalsContact CD1-O 3.3Å; I9-N36 WeakPolarHBondContact CD1-O 3.41Å; N36-G38 PolarHBondContact O-N 3.11Å; N36-A39 WeakPolarHBondContact O-CB 3.5Å; N36-A39 PolarHBondContact O-N 3.33Å; N36-A39 VanDerWaalsContact O-N 3.1Å
37L98Very high97.7Very high1 Ų145 Ų451%0.00525%0.247CC..G310 helixtrans-64.1-6.3176.7-76.4-177.7000113.7L4 I9 L26 I34 E35 A39 T40 I47 F49 F60 P61L4-L37 HydrophobicContact CD2-CD2 4.12Å; L4-L37 HydrophobicContact CD2-CG 4.31Å; I9-L37 HydrophobicContact CD1-CD2 4.09Å; L26-L37 HydrophobicContact CD1-CD2 4.47Å; I34-L37 HydrophobicContact CG2-CD1 3.46Å; I34-L37 VanDerWaalsContact CG2-CD1 3.46Å; I34-L37 HydrophobicContact CG2-CG 4.11Å; E35-L37 PolarHBondContact O-N 3.18Å; L37-A39 PolarHBondContact O-N 2.96Å; L37-T40 HydrophobicContact CD2-CG2 3.88Å; L37-T40 WeakPolarHBondContact O-CB 3.5Å; L37-T40 WeakPolarHBondContact O-CG2 3.49Å; L37-T40 PolarHBondContact O-N 3.47Å; L37-T40 VanDerWaalsContact O-N 3.08Å; L37-T40 PolarHBondContact O-OG1 2.91Å; L37-I47 HydrophobicContact CD2-CD1 4.45Å; L37-F49 HydrophobicContact CD1-CE2 4.31Å; L37-F49 HydrophobicContact CD1-CZ 4.1Å; L37-F49 HydrophobicContact CD2-CZ 4.07Å; L37-F49 HydrophobicContact CG-CZ 4.49Å; L37-F60 HydrophobicContact CD1-CD1 3.44Å; L37-F60 VanDerWaalsContact CD1-CD1 3.44Å; L37-F60 HydrophobicContact CD1-CE1 3.67Å; L37-F60 HydrophobicContact CD1-CG 4.45Å; L37-P61 VanDerWaalsContact CB-CD 3.5Å; L37-P61 HydrophobicContact CB-CG 3.94Å
38G97.3Very high97.7Very high47 Ų4740.8 Ų40.849%0.48523%0.231SC..G310 helixtrans-61-26.417000000112.5N36 T40 L41N36-G38 PolarHBondContact O-N 3.11Å; G38-T40 PolarHBondContact O-N 3.24Å; G38-T40 VanDerWaalsContact O-N 3.16Å; G38-L41 PolarHBondContact O-N 3.15Å; G38-L41 VanDerWaalsContact O-N 3.16Å
39A97.7Very high97.8Very high32 Ų3238.6 Ų38.626%0.26421%0.209SC..G310 helixtrans-63.3-16.8174.500000113.5A6 I9 N36 L37 L41A6-A39 HydrophobicContact CB-CB 3.82Å; I9-A39 HydrophobicContact CB-CB 4.41Å; I9-A39 HydrophobicContact CD1-CB 4.11Å; I9-A39 HydrophobicContact CG2-CB 4.24Å; N36-A39 WeakPolarHBondContact O-CB 3.5Å; N36-A39 PolarHBondContact O-N 3.33Å; N36-A39 VanDerWaalsContact O-N 3.1Å; L37-A39 PolarHBondContact O-N 2.96Å; A39-L41 PolarHBondContact O-N 2.98Å
40T97.6Very high97.9Very high5 Ų535 Ų353%0.03120%0.196CC..G310 helixtrans-74.3-13.4176.667.60000113.9I9 L24 L37 G38 D42 Q43 F44I9-T40 HydrophobicContact CG2-CG2 3.84Å; L24-T40 HydrophobicContact CD2-CG2 3.88Å; L37-T40 HydrophobicContact CD2-CG2 3.88Å; L37-T40 WeakPolarHBondContact O-CB 3.5Å; L37-T40 WeakPolarHBondContact O-CG2 3.49Å; L37-T40 PolarHBondContact O-N 3.47Å; L37-T40 VanDerWaalsContact O-N 3.08Å; L37-T40 PolarHBondContact O-OG1 2.91Å; G38-T40 PolarHBondContact O-N 3.24Å; G38-T40 VanDerWaalsContact O-N 3.16Å; T40-D42 PolarHBondContact O-N 3.37Å; T40-D42 VanDerWaalsContact O-N 3.07Å; T40-Q43 WeakPolarHBondContact O-CG 3.32Å; T40-Q43 PolarHBondContact O-N 3.4Å; T40-F44 HydrophobicContact CG2-CD2 4.19Å; T40-F44 HydrophobicContact CG2-CE2 4.09Å
41L97.3Very high97.9Very high129 Ų12933.3 Ų33.368%0.67519%0.192SC*.THydrogen-bonded Turntrans51.430.3-179-56178.6000114G38 A39 Q43G38-L41 PolarHBondContact O-N 3.15Å; G38-L41 VanDerWaalsContact O-N 3.16Å; A39-L41 PolarHBondContact O-N 2.98Å; L41-Q43 HydrophobicContact CB-CG 4.01Å; L41-Q43 WeakPolarHBondContact O-CG 2.85Å; L41-Q43 PolarHBondContact O-N 2.92Å
42D97.9Very high98Very high45 Ų4533.7 Ų33.724%0.24119%0.194CC..THydrogen-bonded Turntrans5432.7-179.1-164.227.2000114T40 L63 R64 R65T40-D42 PolarHBondContact O-N 3.37Å; T40-D42 VanDerWaalsContact O-N 3.07Å; D42-L63 HydrophobicContact CB-CD2 4.2Å; D42-L63 WeakPolarHBondContact OD1-CA 3.39Å; D42-R64 PolarHBondContact OD1-N 2.81Å; D42-R64 WeakPolarHBondContact OD2-CB 3.26Å; D42-R64 PolarHBondContact OD2-N 2.85Å; D42-R65 VanDerWaalsContact O-CB 3.32Å; D42-R65 WeakPolarHBondContact O-CB 3.49Å; D42-R65 WeakPolarHBondContact O-CD 3.32Å; D42-R65 WeakPolarHBondContact OD1-CB 3.33Å; D42-R65 PolarHBondContact OD1-N 2.64Å; D42-R65 PolarHBondContact OD2-N 3.47Å
43Q97.8Very high98Very high80 Ų8035 Ų3537%0.37420%0.199SC..  trans-93.1-9.5-173.2-59.7-171.8-1.400115.2R22 T40 L41 R65R22-Q43 WeakPolarHBondContact CD-O 3.3Å; R22-Q43 VanDerWaalsContact NH2-OE1 3.08Å; T40-Q43 WeakPolarHBondContact O-CG 3.32Å; T40-Q43 PolarHBondContact O-N 3.4Å; L41-Q43 HydrophobicContact CB-CG 4.01Å; L41-Q43 WeakPolarHBondContact O-CG 2.85Å; L41-Q43 PolarHBondContact O-N 2.92Å; Q43-R65 VanDerWaalsContact C-CD 3.48Å; Q43-R65 WeakPolarHBondContact O-CD 3.43Å; Q43-R65 PolarHBondContact O-NE 2.83Å
44F98.6Very high98Very high9 Ų931.2 Ų31.24%0.03918%0.176CC..  trans-104.2141-172.9-56.3-84.8000112.3Q14 R22 L24 T40 I47 R65 L66Q14-F44 HydrophobicContact CB-CE1 4.14Å; Q14-F44 HydrophobicContact CG-CE1 3.75Å; Q14-F44 HydrophobicContact CG-CZ 3.91Å; R22-F44 HydrophobicContact CG-CD1 3.88Å; R22-F44 HydrophobicContact CG-CE1 4.28Å; L24-F44 HydrophobicContact CB-CD1 3.66Å; L24-F44 HydrophobicContact CB-CD2 4.23Å; L24-F44 HydrophobicContact CB-CE1 3.74Å; L24-F44 HydrophobicContact CB-CE2 4.3Å; L24-F44 HydrophobicContact CB-CG 3.92Å; L24-F44 HydrophobicContact CB-CZ 4.06Å; L24-F44 HydrophobicContact CD1-CE1 4.17Å; L24-F44 HydrophobicContact CD1-CE2 4.48Å; L24-F44 HydrophobicContact CD1-CZ 3.93Å; L24-F44 HydrophobicContact CD2-CD2 4.45Å; L24-F44 HydrophobicContact CD2-CE2 4.21Å; L24-F44 HydrophobicContact CD2-CZ 4.45Å; L24-F44 HydrophobicContact CG-CE1 4.47Å; L24-F44 HydrophobicContact CG-CZ 4.37Å; T40-F44 HydrophobicContact CG2-CD2 4.19Å; T40-F44 HydrophobicContact CG2-CE2 4.09Å; F44-I47 HydrophobicContact CB-CG1 4.38Å; F44-R65 CarbonylContact O-C 3.54Å; F44-L66 PolarHBondContact O-N 3.38Å
45D98.7Very high98Very high4 Ų437.6 Ų37.62%0.02120%0.2CC..SBendtrans-85.7-30.2171.3-62.8-79.4000110.9D21 R22 R65 K67 T68D21-D45 HydrophobicContact CB-CB 3.61Å; R22-D45 PolarHBondContact N-OD2 3.28Å; R22-D45 PolarHBondContact O-N 3.36Å; D45-R65 IonicContact OD1-CZ 3.55Å; D45-R65 IonicContact OD1-NE 3.26Å; D45-R65 PolarHBondContact OD1-NE 3.49Å; D45-R65 IonicContact OD1-NH2 3.38Å; D45-R65 PolarHBondContact OD1-NH2 2.91Å; D45-R65 IonicContact OD2-CZ 3.08Å; D45-R65 IonicContact OD2-NE 2.75Å; D45-R65 PolarHBondContact OD2-NE 2.83Å; D45-R65 VanDerWaalsContact OD2-NE 3.08Å; D45-R65 IonicContact OD2-NH2 2.81Å; D45-R65 PolarHBondContact OD2-NH2 2.95Å; D45-K67 PolarHBondContact O-N 3.45Å; D45-K67 IonicContact OD1-NZ 3.18Å; D45-K67 PolarHBondContact OD1-NZ 2.95Å; D45-T68 PolarHBondContact O-N 3.35Å
46A98.8Very high98Very high0 Ų039.3 Ų39.30%021%0.206CC..EExtended strand (participates in β ladder)trans-133.8145.217900000112.2R22 E23 L24 T68R22-A46 PolarHBondContact O-N 2.92Å; R22-A46 VanDerWaalsContact O-N 3.12Å; E23-A46 WeakPolarHBondContact CA-O 3.49Å; E23-A46 HydrophobicContact CB-CB 4.21Å; E23-A46 HydrophobicContact CG-CB 4.01Å; L24-A46 PolarHBondContact N-O 2.89Å; A46-T68 VanDerWaalsContact CA-O 3.29Å; A46-T68 WeakPolarHBondContact CA-O 3.43Å; A46-T68 HydrophobicContact CB-CG2 4.43Å
47I98.7Very high98Very high1 Ų135.3 Ų35.31%0.00519%0.185CC..EExtended strand (participates in β ladder)trans-128.6128.1168.5-60.6168.9000108.3L24 L26 L37 F44 F49 L63 L66 T68 L69 L70L24-I47 HydrophobicContact CB-CG1 4.24Å; L26-I47 HydrophobicContact CD1-CG2 3.96Å; L37-I47 HydrophobicContact CD2-CD1 4.45Å; F44-I47 HydrophobicContact CB-CG1 4.38Å; I47-F49 HydrophobicContact CB-CE2 4.33Å; I47-F49 HydrophobicContact CG2-CD2 3.63Å; I47-F49 HydrophobicContact CG2-CE2 3.38Å; I47-F49 HydrophobicContact CG2-CG 4.37Å; I47-F49 HydrophobicContact CG2-CZ 3.94Å; I47-L63 HydrophobicContact CD1-CD1 4.37Å; I47-L66 HydrophobicContact CB-CD1 4.22Å; I47-L66 HydrophobicContact CD1-CD1 3.78Å; I47-L66 HydrophobicContact CD1-CD2 4.1Å; I47-L66 HydrophobicContact CG1-CD1 3.61Å; I47-T68 PolarHBondContact N-O 2.85Å; I47-T68 VanDerWaalsContact N-O 3.11Å; I47-L69 HydrophobicContact CB-CD1 4.12Å; I47-L70 PolarHBondContact O-N 2.99Å; I47-L70 VanDerWaalsContact O-N 3.09Å
48D98.7Very high98Very high5 Ų537.9 Ų37.93%0.02720%0.198CC..EExtended strand (participates in β ladder)trans-102.6109.2175.8-164.8-13000111.3L24 L26 R27 S50 L70L24-D48 PolarHBondContact O-N 3.49Å; L26-D48 CarbonylContact C-O 3.59Å; L26-D48 VanDerWaalsContact C-O 3.28Å; L26-D48 VanDerWaalsContact CA-O 3.27Å; L26-D48 WeakPolarHBondContact CA-O 3.33Å; L26-D48 WeakPolarHBondContact CB-O 3.42Å; L26-D48 PolarHBondContact N-O 3.22Å; R27-D48 WeakPolarHBondContact CD-OD2 3.48Å; R27-D48 HydrophobicContact CG-CB 4.2Å; R27-D48 IonicContact CZ-OD2 3.69Å; R27-D48 VanDerWaalsContact CZ-OD2 3.29Å; R27-D48 PolarHBondContact N-O 2.92Å; R27-D48 IonicContact NE-OD2 3.41Å; R27-D48 PolarHBondContact NE-OD2 3.43Å; R27-D48 IonicContact NH1-OD2 3.34Å; R27-D48 PolarHBondContact NH1-OD2 3.39Å; D48-S50 WeakPolarHBondContact OD1-CB 3.29Å; D48-S50 PolarHBondContact OD1-N 3.16Å; D48-S50 PolarHBondContact OD1-OG 3.49Å; D48-L70 HydrophobicContact CB-CB 4.31Å; D48-L70 HydrophobicContact CB-CD1 4.19Å
49F98.7Very high97.9Very high0 Ų037.5 Ų37.50%020%0.195CC..  trans-101.615175-80.1-69.3000112.9L4 L26 I31 I34 L37 I47 N52 I54 F60 L69 L70 V71 N74L4-F49 HydrophobicContact CD2-CE1 3.78Å; L4-F49 HydrophobicContact CD2-CZ 3.97Å; L26-F49 HydrophobicContact CB-CD1 3.9Å; L26-F49 HydrophobicContact CB-CE1 4.02Å; L26-F49 HydrophobicContact CD1-CD1 4.05Å; L26-F49 HydrophobicContact CD1-CE1 3.33Å; L26-F49 HydrophobicContact CD1-CE2 4.43Å; L26-F49 HydrophobicContact CD1-CZ 3.58Å; L26-F49 HydrophobicContact CG-CE1 4.32Å; I31-F49 HydrophobicContact CD1-CD1 4.38Å; I31-F49 HydrophobicContact CD1-CE1 4.33Å; I34-F49 HydrophobicContact CD1-CE2 4.34Å; I34-F49 HydrophobicContact CG1-CE1 4.5Å; I34-F49 HydrophobicContact CG1-CZ 4.3Å; I34-F49 HydrophobicContact CG2-CZ 4.36Å; L37-F49 HydrophobicContact CD1-CE2 4.31Å; L37-F49 HydrophobicContact CD1-CZ 4.1Å; L37-F49 HydrophobicContact CD2-CZ 4.07Å; L37-F49 HydrophobicContact CG-CZ 4.49Å; I47-F49 HydrophobicContact CB-CE2 4.33Å; I47-F49 HydrophobicContact CG2-CD2 3.63Å; I47-F49 HydrophobicContact CG2-CE2 3.38Å; I47-F49 HydrophobicContact CG2-CG 4.37Å; I47-F49 HydrophobicContact CG2-CZ 3.94Å; F49-N52 PolarHBondContact O-ND2 3.39Å; F49-I54 HydrophobicContact CB-CD1 3.89Å; F49-I54 HydrophobicContact CD1-CD1 3.74Å; F49-I54 HydrophobicContact CE1-CD1 4.42Å; F49-I54 HydrophobicContact CG-CD1 3.92Å; F49-F60 HydrophobicContact CE2-CE1 4.43Å; F49-L69 HydrophobicContact CD2-CD1 3.77Å; F49-L69 HydrophobicContact CE2-CD1 4.04Å; F49-L70 WeakPolarHBondContact CA-O 3.5Å; F49-L70 WeakPolarHBondContact CB-O 3.4Å; F49-L70 PolarHBondContact N-O 2.88Å; F49-V71 HydrophobicContact CB-CG1 4.42Å; F49-N74 PolarHBondContact O-ND2 3.2Å
50S98.7Very high98Very high7 Ų736.9 Ų36.95%0.04919%0.186CC..THydrogen-bonded Turntrans-59149.8-175.3-55.80000112.4R27 G28 D48 N52 N72R27-S50 WeakPolarHBondContact CA-O 3.4Å; G28-S50 PolarHBondContact N-O 2.95Å; G28-S50 VanDerWaalsContact N-O 3.16Å; D48-S50 WeakPolarHBondContact OD1-CB 3.29Å; D48-S50 PolarHBondContact OD1-N 3.16Å; D48-S50 PolarHBondContact OD1-OG 3.49Å; S50-N52 PolarHBondContact O-N 3.43Å; S50-N52 PolarHBondContact O-ND2 3.38Å; S50-N72 CarbonylContact C-O 3.03Å; S50-N72 VanDerWaalsContact CA-O 3.26Å; S50-N72 WeakPolarHBondContact CA-O 3.43Å; S50-N72 WeakPolarHBondContact OG-CB 3.46Å; S50-N72 PolarHBondContact OG-ND2 3.34Å
51D98.5Very high98Very high84 Ų8438.9 Ų38.945%0.44920%0.199SC..THydrogen-bonded Turntrans6240.6176.6-51.9-59.1000114.2G28 N72 N73G28-D51 VanDerWaalsContact CA-O 3.31Å; G28-D51 WeakPolarHBondContact CA-O 3.41Å; G28-D51 PolarHBondContact N-O 2.97Å; D51-N72 PolarHBondContact N-O 3.33Å; D51-N73 WeakPolarHBondContact OD1-CB 3.47Å; D51-N73 PolarHBondContact OD1-ND2 3.32Å
52N98.5Very high98Very high8 Ų836.7 Ų36.74%0.04319%0.187CC..SBendtrans-112.8-170.6173.3-78.2-69.1000112L26 Y29 K30 I31 F49 S50 I54 N74L26-N52 PolarHBondContact O-ND2 3.14Å; Y29-N52 PolarHBondContact N-OD1 3.48Å; K30-N52 PolarHBondContact N-OD1 2.65Å; I31-N52 HydrophobicContact CB-CB 4.22Å; I31-N52 WeakPolarHBondContact CB-OD1 3.29Å; I31-N52 PolarHBondContact N-OD1 3.22Å; F49-N52 PolarHBondContact O-ND2 3.39Å; S50-N52 PolarHBondContact O-N 3.43Å; S50-N52 PolarHBondContact O-ND2 3.38Å; N52-I54 HydrophobicContact CB-CD1 4.18Å; N52-I54 HydrophobicContact CB-CG1 4.07Å; N52-N74 WeakPolarHBondContact CA-OD1 3.32Å; N52-N74 WeakPolarHBondContact CB-OD1 2.92Å; N52-N74 PolarHBondContact O-OD1 2.97Å
53E97.6Very high98Very high46 Ų4634.7 Ų34.722%0.21518%0.177CC..  trans-116.123.7-178.8-59.9-167.7-170.300112.6K30 I31 R55 N74 R75K30-E53 HydrophobicContact CB-CG 4.5Å; I31-E53 CarbonylContact O-C 3.32Å; I31-E53 VanDerWaalsContact O-C 3.26Å; I31-E53 WeakPolarHBondContact O-CA 3.26Å; I31-E53 PolarHBondContact O-N 3.14Å; E53-R55 PolarHBondContact O-N 2.93Å; E53-N74 PolarHBondContact N-OD1 3.24Å; E53-R75 IonicContact OE1-NH2 2.83Å; E53-R75 IonicContact OE2-CZ 3.7Å; E53-R75 IonicContact OE2-NH1 3.81Å; E53-R75 PolarHBondContact OE2-NH1 2.96Å; E53-R75 IonicContact OE2-NH2 2.68Å; E53-R75 PolarHBondContact OE2-NH2 2.82Å
54I98Very high98Very high0 Ų038.4 Ų38.40%019%0.188CC..  trans-66.3130.5-172.6-54.4165.1000109.6I31 P32 I34 F49 N52 K56 N74 R75 I76I31-I54 HydrophobicContact CG2-CG1 4.22Å; I31-I54 WeakPolarHBondContact O-CG1 3.42Å; I31-I54 PolarHBondContact O-N 3.32Å; I31-I54 VanDerWaalsContact O-N 3.17Å; P32-I54 WeakPolarHBondContact O-CA 3.22Å; I34-I54 HydrophobicContact CD1-CD1 4.11Å; I34-I54 HydrophobicContact CD1-CG2 4.08Å; I34-I54 HydrophobicContact CG1-CD1 3.79Å; I34-I54 HydrophobicContact CG1-CG1 4.34Å; I34-I54 HydrophobicContact CG1-CG2 3.88Å; F49-I54 HydrophobicContact CB-CD1 3.89Å; F49-I54 HydrophobicContact CD1-CD1 3.74Å; F49-I54 HydrophobicContact CE1-CD1 4.42Å; F49-I54 HydrophobicContact CG-CD1 3.92Å; N52-I54 HydrophobicContact CB-CD1 4.18Å; N52-I54 HydrophobicContact CB-CG1 4.07Å; I54-K56 WeakPolarHBondContact CG2-O 3.4Å; I54-N74 VanDerWaalsContact CB-OD1 3.3Å; I54-N74 WeakPolarHBondContact CB-OD1 3.02Å; I54-N74 VanDerWaalsContact CG1-OD1 3.32Å; I54-N74 WeakPolarHBondContact CG1-OD1 3.45Å; I54-N74 PolarHBondContact N-OD1 3.45Å; I54-R75 CarbonylContact O-C 3.21Å; I54-R75 VanDerWaalsContact O-CA 3.27Å; I54-R75 WeakPolarHBondContact O-CA 3.39Å; I54-R75 PolarHBondContact O-N 3.07Å; I54-I76 HydrophobicContact CB-CD1 3.9Å; I54-I76 HydrophobicContact CG2-CD1 3.47Å; I54-I76 VanDerWaalsContact CG2-CD1 3.47Å; I54-I76 PolarHBondContact O-N 3.2Å
55R96.7Very high98Very high139 Ų13943.5 Ų43.553%0.52521%0.206SC..  trans-103.5-25.6-177.3-66.3-178.4-178.7-88.13.4115.2E53 R75 I76 C77E53-R55 PolarHBondContact O-N 2.93Å; R55-R75 WeakPolarHBondContact CA-O 3.34Å; R55-R75 HydrophobicContact CG-CB 4.1Å; R55-I76 WeakPolarHBondContact O-CA 3.49Å; R55-C77 PolarHBondContact O-N 3.13Å; R55-C77 PolarHBondContact O-SG 3.31Å
56K97.4Very high98Very high98 Ų9843.4 Ų43.443%0.42621%0.206SC..EExtended strand (participates in β ladder)trans-130.6128.6-178.2-170.1-171.6-175.9-1640108.7I54 D58 R78I54-K56 WeakPolarHBondContact CG2-O 3.4Å; K56-D58 HydrophobicContact CD-CB 3.8Å; K56-D58 WeakPolarHBondContact CE-OD2 3.37Å; K56-D58 HydrophobicContact CG-CB 3.89Å; K56-D58 IonicContact NZ-OD2 2.73Å; K56-D58 PolarHBondContact NZ-OD2 3.41Å; K56-D58 PolarHBondContact O-N 3.16Å; K56-R78 WeakPolarHBondContact CA-O 3.01Å; K56-R78 HydrophobicContact CG-CB 4.08Å
57L98Very high98Very high2 Ų247.1 Ų47.11%0.0122%0.222CC..EExtended strand (participates in β ladder)trans-84.390.3172.5-172.170.3000108.6I34 F60 L69 V71 I76 R78 I79 G80 L83 L93 L95I34-L57 HydrophobicContact CD1-CD1 4.24Å; L57-F60 HydrophobicContact CD1-CE2 3.96Å; L57-F60 HydrophobicContact CD1-CZ 3.93Å; L57-F60 HydrophobicContact CG-CE2 4.24Å; L57-L69 HydrophobicContact CD1-CD2 3.75Å; L57-V71 HydrophobicContact CD1-CG2 4.17Å; L57-I76 HydrophobicContact CB-CD1 4.21Å; L57-I76 HydrophobicContact CB-CG2 4.19Å; L57-R78 PolarHBondContact N-O 2.97Å; L57-I79 HydrophobicContact CD2-CG2 4.39Å; L57-G80 PolarHBondContact O-N 3.3Å; L57-L83 HydrophobicContact CD2-CD1 4.08Å; L57-L83 HydrophobicContact CG-CD1 4.3Å; L57-L93 HydrophobicContact CD2-CD1 4.02Å; L57-L93 HydrophobicContact CD2-CD2 3.91Å; L57-L95 HydrophobicContact CD2-CD2 4.35Å
58D96.4Very high98Very high54 Ų5447.8 Ų47.829%0.28923%0.226SC..  trans-165.8-175.5-175-166.15.5000109.1I34 K56I34-D58 WeakPolarHBondContact CB-O 3.42Å; K56-D58 HydrophobicContact CD-CB 3.8Å; K56-D58 WeakPolarHBondContact CE-OD2 3.37Å; K56-D58 HydrophobicContact CG-CB 3.89Å; K56-D58 IonicContact NZ-OD2 2.73Å; K56-D58 PolarHBondContact NZ-OD2 3.41Å; K56-D58 PolarHBondContact O-N 3.16Å
59G96.4Very high98Very high39 Ų3947.6 Ų47.640%0.40223%0.225SC..  trans83.315.3172.500000114.4
60F98.1Very high98Very high20 Ų2049.3 Ų49.39%0.08823%0.234CC..  trans-82.1136177.4-61.2-88.2000110.9I34 L37 F49 L57 L63 L69 L83 A86 L87I34-F60 HydrophobicContact CD1-CE1 4.14Å; I34-F60 HydrophobicContact CD1-CE2 3.93Å; I34-F60 HydrophobicContact CD1-CZ 3.41Å; I34-F60 VanDerWaalsContact CD1-CZ 3.41Å; I34-F60 HydrophobicContact CG2-CD1 4.23Å; I34-F60 HydrophobicContact CG2-CE1 3.98Å; I34-F60 HydrophobicContact CG2-CE2 4.45Å; I34-F60 HydrophobicContact CG2-CZ 4.1Å; L37-F60 HydrophobicContact CD1-CD1 3.44Å; L37-F60 VanDerWaalsContact CD1-CD1 3.44Å; L37-F60 HydrophobicContact CD1-CE1 3.67Å; L37-F60 HydrophobicContact CD1-CG 4.45Å; F49-F60 HydrophobicContact CE2-CE1 4.43Å; L57-F60 HydrophobicContact CD1-CE2 3.96Å; L57-F60 HydrophobicContact CD1-CZ 3.93Å; L57-F60 HydrophobicContact CG-CE2 4.24Å; F60-L63 HydrophobicContact CD1-CD1 4.47Å; F60-L69 HydrophobicContact CE1-CD1 4.24Å; F60-L69 HydrophobicContact CE1-CD2 4.07Å; F60-L69 HydrophobicContact CE2-CD2 4.48Å; F60-L69 HydrophobicContact CZ-CD1 4.48Å; F60-L69 HydrophobicContact CZ-CD2 3.62Å; F60-L83 HydrophobicContact CD2-CD2 3.93Å; F60-L83 HydrophobicContact CE2-CD2 4.26Å; F60-A86 HydrophobicContact CB-CB 3.83Å; F60-A86 WeakPolarHBondContact O-CB 3.44Å; F60-L87 HydrophobicContact CB-CD2 3.95Å; F60-L87 HydrophobicContact CB-CG 4.23Å; F60-L87 HydrophobicContact CD1-CD1 4.14Å; F60-L87 HydrophobicContact CD1-CD2 4.02Å; F60-L87 HydrophobicContact CD2-CD1 4.05Å; F60-L87 HydrophobicContact CE1-CD1 4.36Å; F60-L87 HydrophobicContact CE2-CD1 4.29Å; F60-L87 HydrophobicContact CG-CD1 3.98Å; F60-L87 HydrophobicContact CG-CD2 4.05Å; F60-L87 HydrophobicContact CG-CG 4.21Å; F60-L87 HydrophobicContact CZ-CD1 4.43Å
61P97.6Very high98Very high46 Ų4649 Ų4930%0.29923%0.232SC..  trans-71.9177.5161.136.7-38.2000109.5L37 L63L37-P61 VanDerWaalsContact CB-CD 3.5Å; L37-P61 HydrophobicContact CB-CG 3.94Å; P61-L63 HydrophobicContact CG-CD1 4.44Å; P61-L63 HydrophobicContact CG-CD2 3.94Å; P61-L63 HydrophobicContact CG-CG 4.02Å; P61-L63 PolarHBondContact O-N 3.48Å; P61-L63 VanDerWaalsContact O-N 3.1Å
62L98.2Very high98Very high83 Ų8346.6 Ų46.644%0.43522%0.219SC..  trans-64.6111.5170.1178.363.2000110.6R64 Q85 A86 P88L62-R64 HydrophobicContact CD1-CG 4.11Å; L62-R64 HydrophobicContact CD2-CG 4.49Å; L62-R64 HydrophobicContact CG-CG 4.1Å; L62-Q85 VanDerWaalsContact CD1-O 3.28Å; L62-Q85 WeakPolarHBondContact CD1-O 3.39Å; L62-A86 CarbonylContact C-O 3.59Å; L62-A86 WeakPolarHBondContact CA-O 3.36Å; L62-P88 HydrophobicContact CD1-CG 4.19Å
63L98.4Very high98Very high4 Ų449.1 Ų49.12%0.02123%0.232CC..  trans-120.598.3175.5-59175.9000108.6D42 I47 F60 P61 L66 A86 L87D42-L63 HydrophobicContact CB-CD2 4.2Å; D42-L63 WeakPolarHBondContact OD1-CA 3.39Å; I47-L63 HydrophobicContact CD1-CD1 4.37Å; F60-L63 HydrophobicContact CD1-CD1 4.47Å; P61-L63 HydrophobicContact CG-CD1 4.44Å; P61-L63 HydrophobicContact CG-CD2 3.94Å; P61-L63 HydrophobicContact CG-CG 4.02Å; P61-L63 PolarHBondContact O-N 3.48Å; P61-L63 VanDerWaalsContact O-N 3.1Å; L63-L66 HydrophobicContact CB-CB 3.95Å; L63-L66 HydrophobicContact CD1-CD2 4.01Å; L63-A86 PolarHBondContact N-O 3.38Å; L63-L87 HydrophobicContact CB-CD2 3.95Å; L63-L87 HydrophobicContact CD1-CD2 4.11Å; L63-L87 HydrophobicContact CG-CD2 4.36Å
64R98.2Very high98.1Very high158 Ų15847.3 Ų47.360%0.59623%0.225SC*.SBendtrans-79.5-23.2-176.8-57.3179.9178.6-824.9112.1D42 L62 C89D42-R64 PolarHBondContact OD1-N 2.81Å; D42-R64 WeakPolarHBondContact OD2-CB 3.26Å; D42-R64 PolarHBondContact OD2-N 2.85Å; L62-R64 HydrophobicContact CD1-CG 4.11Å; L62-R64 HydrophobicContact CD2-CG 4.49Å; L62-R64 HydrophobicContact CG-CG 4.1Å; R64-C89 WeakPolarHBondContact O-CB 3.28Å; R64-C89 PolarHBondContact O-SG 3.07Å
65R98.4Very high98Very high115 Ų11551.8 Ų51.843%0.43424%0.241SC..SBendtrans-85.5-29.5-178.9-169.6-179.8176.296.66.5112.8D42 Q43 F44 D45 K67D42-R65 VanDerWaalsContact O-CB 3.32Å; D42-R65 WeakPolarHBondContact O-CB 3.49Å; D42-R65 WeakPolarHBondContact O-CD 3.32Å; D42-R65 WeakPolarHBondContact OD1-CB 3.33Å; D42-R65 PolarHBondContact OD1-N 2.64Å; D42-R65 PolarHBondContact OD2-N 3.47Å; Q43-R65 VanDerWaalsContact C-CD 3.48Å; Q43-R65 WeakPolarHBondContact O-CD 3.43Å; Q43-R65 PolarHBondContact O-NE 2.83Å; F44-R65 CarbonylContact O-C 3.54Å; D45-R65 IonicContact OD1-CZ 3.55Å; D45-R65 IonicContact OD1-NE 3.26Å; D45-R65 PolarHBondContact OD1-NE 3.49Å; D45-R65 IonicContact OD1-NH2 3.38Å; D45-R65 PolarHBondContact OD1-NH2 2.91Å; D45-R65 IonicContact OD2-CZ 3.08Å; D45-R65 IonicContact OD2-NE 2.75Å; D45-R65 PolarHBondContact OD2-NE 2.83Å; D45-R65 VanDerWaalsContact OD2-NE 3.08Å; D45-R65 IonicContact OD2-NH2 2.81Å; D45-R65 PolarHBondContact OD2-NH2 2.95Å; R65-K67 PolarHBondContact O-N 3.1Å
66L98.6Very high98.1Very high2 Ų245.2 Ų45.21%0.0122%0.216CC..  trans-63.1121.8-172.9-168.770.4000111.9F44 I47 L63 L69 L87 C89F44-L66 PolarHBondContact O-N 3.38Å; I47-L66 HydrophobicContact CB-CD1 4.22Å; I47-L66 HydrophobicContact CD1-CD1 3.78Å; I47-L66 HydrophobicContact CD1-CD2 4.1Å; I47-L66 HydrophobicContact CG1-CD1 3.61Å; L63-L66 HydrophobicContact CB-CB 3.95Å; L63-L66 HydrophobicContact CD1-CD2 4.01Å; L66-L69 HydrophobicContact CD2-CD1 4.39Å; L66-L87 HydrophobicContact CD2-CD2 3.83Å; L66-C89 CarbonylContact O-C 3.56Å
67K98.7Very high98Very high79 Ų7941.8 Ų41.834%0.34321%0.205SC..  trans-113.3-35.2-179.3-68.3165.7-166.5145.80112.6D45 R65 L90 T91 E92D45-K67 PolarHBondContact O-N 3.45Å; D45-K67 IonicContact OD1-NZ 3.18Å; D45-K67 PolarHBondContact OD1-NZ 2.95Å; R65-K67 PolarHBondContact O-N 3.1Å; K67-L90 WeakPolarHBondContact O-CD1 3.38Å; K67-T91 PolarHBondContact O-N 3.42Å; K67-T91 PolarHBondContact O-OG1 3.35Å; K67-T91 VanDerWaalsContact O-OG1 3.11Å; K67-E92 PolarHBondContact O-N 3.31Å
68T98.8Very high97.9Very high15 Ų1544.7 Ų44.79%0.09222%0.215CC..EExtended strand (participates in β ladder)trans-124.2128.3-173-60.80000111D45 A46 I47 L70 E92D45-T68 PolarHBondContact O-N 3.35Å; A46-T68 VanDerWaalsContact CA-O 3.29Å; A46-T68 WeakPolarHBondContact CA-O 3.43Å; A46-T68 HydrophobicContact CB-CG2 4.43Å; I47-T68 PolarHBondContact N-O 2.85Å; I47-T68 VanDerWaalsContact N-O 3.11Å; T68-L70 HydrophobicContact CG2-CD2 3.87Å; T68-L70 HydrophobicContact CG2-CG 4.18Å; T68-E92 WeakPolarHBondContact CA-O 3.19Å; T68-E92 HydrophobicContact CG2-CB 4.11Å; T68-E92 HydrophobicContact CG2-CG 4.07Å
69L98.7Very high98Very high0 Ų042.7 Ų42.70%021%0.205CC..EExtended strand (participates in β ladder)trans-125.4113.3175.5-168.368.5000110I47 F49 L57 F60 L66 V71 L90 E92 L93 I94I47-L69 HydrophobicContact CB-CD1 4.12Å; F49-L69 HydrophobicContact CD2-CD1 3.77Å; F49-L69 HydrophobicContact CE2-CD1 4.04Å; L57-L69 HydrophobicContact CD1-CD2 3.75Å; F60-L69 HydrophobicContact CE1-CD1 4.24Å; F60-L69 HydrophobicContact CE1-CD2 4.07Å; F60-L69 HydrophobicContact CE2-CD2 4.48Å; F60-L69 HydrophobicContact CZ-CD1 4.48Å; F60-L69 HydrophobicContact CZ-CD2 3.62Å; L66-L69 HydrophobicContact CD2-CD1 4.39Å; L69-V71 HydrophobicContact CD1-CG2 4.5Å; L69-V71 HydrophobicContact CD2-CG2 3.87Å; L69-V71 HydrophobicContact CG-CG2 3.63Å; L69-L90 HydrophobicContact CB-CD1 3.88Å; L69-E92 PolarHBondContact N-O 3.04Å; L69-L93 HydrophobicContact CB-CD1 4.06Å; L69-L93 HydrophobicContact CD2-CD1 3.97Å; L69-L93 HydrophobicContact CG-CD1 4.31Å; L69-I94 PolarHBondContact O-N 2.6Å
70L98.7Very high97.9Very high36 Ų3641 Ų4119%0.18819%0.187CC..EExtended strand (participates in β ladder)trans-98.6117.4177-51.4178.3000108.3I47 D48 F49 T68 I94I47-L70 PolarHBondContact O-N 2.99Å; I47-L70 VanDerWaalsContact O-N 3.09Å; D48-L70 HydrophobicContact CB-CB 4.31Å; D48-L70 HydrophobicContact CB-CD1 4.19Å; F49-L70 WeakPolarHBondContact CA-O 3.5Å; F49-L70 WeakPolarHBondContact CB-O 3.4Å; F49-L70 PolarHBondContact N-O 2.88Å; T68-L70 HydrophobicContact CG2-CD2 3.87Å; T68-L70 HydrophobicContact CG2-CG 4.18Å; L70-I94 HydrophobicContact CD2-CB 3.98Å; L70-I94 HydrophobicContact CD2-CG1 3.61Å
71V98.6Very high97.8Very high0 Ų045.4 Ų45.40%021%0.208CC..  trans-130.438.7-176.3-158.50000109.5F49 L57 L69 N74 I76 L93 I94 L95 N98F49-V71 HydrophobicContact CB-CG1 4.42Å; L57-V71 HydrophobicContact CD1-CG2 4.17Å; L69-V71 HydrophobicContact CD1-CG2 4.5Å; L69-V71 HydrophobicContact CD2-CG2 3.87Å; L69-V71 HydrophobicContact CG-CG2 3.63Å; V71-N74 HydrophobicContact CG1-CB 4.1Å; V71-I76 HydrophobicContact CG1-CD1 4.22Å; V71-I76 HydrophobicContact CG1-CG1 3.96Å; V71-L93 HydrophobicContact CG2-CD1 4.33Å; V71-I94 CarbonylContact C-O 3.46Å; V71-I94 WeakPolarHBondContact CA-O 3.47Å; V71-I94 PolarHBondContact N-O 3.05Å; V71-L95 HydrophobicContact CB-CD2 4.17Å; V71-N98 PolarHBondContact O-ND2 3.44Å
72N98.3Very high97.6Very high35 Ų3544.3 Ų44.319%0.18721%0.205CC..THydrogen-bonded Turntrans-64.6152.7-178.2-55.9-81.8000110.8S50 D51 N74 I94 T96S50-N72 CarbonylContact C-O 3.03Å; S50-N72 VanDerWaalsContact CA-O 3.26Å; S50-N72 WeakPolarHBondContact CA-O 3.43Å; S50-N72 WeakPolarHBondContact OG-CB 3.46Å; S50-N72 PolarHBondContact OG-ND2 3.34Å; D51-N72 PolarHBondContact N-O 3.33Å; N72-N74 VanDerWaalsContact C-N 3.27Å; N72-N74 PolarHBondContact O-N 3.21Å; N72-N74 PolarHBondContact O-ND2 3.21Å; N72-I94 WeakPolarHBondContact OD1-CG2 3.25Å; N72-T96 WeakPolarHBondContact CA-O 3.37Å; N72-T96 WeakPolarHBondContact OD1-CB 3.4Å
73N98.5Very high97.5Very high60 Ų6040.5 Ų40.532%0.32119%0.185SC..THydrogen-bonded Turntrans53.943169.7-53.5-31.6000113.4D51 T96 N97D51-N73 WeakPolarHBondContact OD1-CB 3.47Å; D51-N73 PolarHBondContact OD1-ND2 3.32Å; N73-T96 PolarHBondContact N-O 2.92Å; N73-N97 VanDerWaalsContact CA-O 3.31Å; N73-N97 WeakPolarHBondContact CA-O 3.22Å; N73-N97 PolarHBondContact N-O 3.48Å; N73-N97 WeakPolarHBondContact OD1-CB 3.3Å; N73-N97 PolarHBondContact OD1-ND2 3.08Å
74N98.5Very high97.5Very high9 Ų943 Ų435%0.04820%0.198CC..SBendtrans-110.9-167.6176.4-89.9-88.8000110.2F49 N52 E53 I54 V71 N72 I76 N97 N98F49-N74 PolarHBondContact O-ND2 3.2Å; N52-N74 WeakPolarHBondContact CA-OD1 3.32Å; N52-N74 WeakPolarHBondContact CB-OD1 2.92Å; N52-N74 PolarHBondContact O-OD1 2.97Å; E53-N74 PolarHBondContact N-OD1 3.24Å; I54-N74 VanDerWaalsContact CB-OD1 3.3Å; I54-N74 WeakPolarHBondContact CB-OD1 3.02Å; I54-N74 VanDerWaalsContact CG1-OD1 3.32Å; I54-N74 WeakPolarHBondContact CG1-OD1 3.45Å; I54-N74 PolarHBondContact N-OD1 3.45Å; V71-N74 HydrophobicContact CG1-CB 4.1Å; N72-N74 VanDerWaalsContact C-N 3.27Å; N72-N74 PolarHBondContact O-N 3.21Å; N72-N74 PolarHBondContact O-ND2 3.21Å; N74-I76 HydrophobicContact CB-CG1 4.16Å; N74-N97 PolarHBondContact N-O 3.46Å; N74-N98 VanDerWaalsContact CA-OD1 3.32Å; N74-N98 WeakPolarHBondContact CA-OD1 3.07Å; N74-N98 WeakPolarHBondContact CB-OD1 3.35Å; N74-N98 PolarHBondContact O-OD1 2.87Å
75R97.4Very high97.4Very high94 Ų9442.7 Ų42.736%0.35520%0.204SC..  trans-118.128.4178.7-60.2-178.3-175.7149.74.5111.6E53 I54 R55 C77 N98E53-R75 IonicContact OE1-NH2 2.83Å; E53-R75 IonicContact OE2-CZ 3.7Å; E53-R75 IonicContact OE2-NH1 3.81Å; E53-R75 PolarHBondContact OE2-NH1 2.96Å; E53-R75 IonicContact OE2-NH2 2.68Å; E53-R75 PolarHBondContact OE2-NH2 2.82Å; I54-R75 CarbonylContact O-C 3.21Å; I54-R75 VanDerWaalsContact O-CA 3.27Å; I54-R75 WeakPolarHBondContact O-CA 3.39Å; I54-R75 PolarHBondContact O-N 3.07Å; R55-R75 WeakPolarHBondContact CA-O 3.34Å; R55-R75 HydrophobicContact CG-CB 4.1Å; R75-C77 PolarHBondContact O-N 3.18Å; R75-N98 PolarHBondContact N-OD1 3.03Å
76I98.1Very high97.4Very high0 Ų038 Ų380%019%0.189CC..  trans-60.2114.1-174.9-59.2-67.7000108.4I54 R55 L57 V71 N74 L95 N98 S99 L100I54-I76 HydrophobicContact CB-CD1 3.9Å; I54-I76 HydrophobicContact CG2-CD1 3.47Å; I54-I76 VanDerWaalsContact CG2-CD1 3.47Å; I54-I76 PolarHBondContact O-N 3.2Å; R55-I76 WeakPolarHBondContact O-CA 3.49Å; L57-I76 HydrophobicContact CB-CD1 4.21Å; L57-I76 HydrophobicContact CB-CG2 4.19Å; V71-I76 HydrophobicContact CG1-CD1 4.22Å; V71-I76 HydrophobicContact CG1-CG1 3.96Å; N74-I76 HydrophobicContact CB-CG1 4.16Å; I76-L95 HydrophobicContact CB-CD2 4.39Å; I76-L95 HydrophobicContact CG1-CD2 4.21Å; I76-L95 HydrophobicContact CG2-CD2 4.24Å; I76-N98 HydrophobicContact CB-CB 4.08Å; I76-N98 VanDerWaalsContact CB-OD1 3.26Å; I76-N98 WeakPolarHBondContact CB-OD1 3.36Å; I76-N98 WeakPolarHBondContact CG1-OD1 3.44Å; I76-N98 PolarHBondContact N-OD1 3.09Å; I76-S99 CarbonylContact O-C 3.26Å; I76-S99 VanDerWaalsContact O-CA 3.25Å; I76-S99 WeakPolarHBondContact O-CA 3.49Å; I76-S99 PolarHBondContact O-N 3.49Å; I76-L100 HydrophobicContact CG2-CD2 4.3Å; I76-L100 HydrophobicContact CG2-CG 4.45Å; I76-L100 PolarHBondContact O-N 2.82Å; I76-L100 VanDerWaalsContact O-N 3.08Å
77C95.9Very high97.4Very high27 Ų2738 Ų3818%0.18219%0.189CC..  trans-117.2-2.6176.564.20000112.4R55 R75 S99R55-C77 PolarHBondContact O-N 3.13Å; R55-C77 PolarHBondContact O-SG 3.31Å; R75-C77 PolarHBondContact O-N 3.18Å; C77-S99 WeakPolarHBondContact CA-O 3.33Å; C77-S99 WeakPolarHBondContact CB-O 3.43Å
78R95.8Very high97.4Very high62 Ų6236.4 Ų36.423%0.23419%0.187CC..EExtended strand (participates in β ladder)trans-148.7141.8179.6-72.9179.9170.9-178.8-13.5110.8K56 L57 T180 F181 N182K56-R78 WeakPolarHBondContact CA-O 3.01Å; K56-R78 HydrophobicContact CG-CB 4.08Å; L57-R78 PolarHBondContact N-O 2.97Å; R78-T180 VanDerWaalsContact NE-CB 3.32Å; R78-T180 PolarHBondContact NE-OG1 2.75Å; R78-T180 VanDerWaalsContact NH2-CA 3.28Å; R78-T180 PolarHBondContact NH2-O 3.42Å; R78-T180 PolarHBondContact NH2-OG1 2.95Å; R78-F181 PolarHBondContact NH1-O 2.92Å; R78-N182 PolarHBondContact NH1-OD1 2.94Å; R78-N182 PolarHBondContact NH2-OD1 2.95Å
79I97.6Very high97.3Very high13 Ų1338.2 Ų38.27%0.06720%0.2CC..EExtended strand (participates in β ladder)trans-107.3131.2170.3-56.1-179.2000107.3L57 L83 L95 L100 L106 P108 L109L57-I79 HydrophobicContact CD2-CG2 4.39Å; I79-L83 HydrophobicContact CG2-CD1 3.46Å; I79-L83 VanDerWaalsContact CG2-CD1 3.46Å; I79-L95 HydrophobicContact CD1-CD1 4.26Å; I79-L100 HydrophobicContact CD1-CD1 4.28Å; I79-L100 HydrophobicContact CD1-CD2 4.37Å; I79-L100 HydrophobicContact CG1-CD2 4.1Å; I79-L106 HydrophobicContact CD1-CD2 4.35Å; I79-P108 HydrophobicContact CB-CB 4.34Å; I79-P108 HydrophobicContact CB-CG 4.29Å; I79-P108 HydrophobicContact CG2-CB 3.92Å; I79-P108 HydrophobicContact CG2-CG 4.41Å; I79-L109 HydrophobicContact CD1-CD1 3.85Å; I79-L109 HydrophobicContact CD1-CD2 3.85Å; I79-L109 HydrophobicContact CD1-CG 3.73Å; I79-L109 HydrophobicContact CG2-CD2 4.14Å
80G95.5Very high97.3Very high2 Ų238.3 Ų38.32%0.02120%0.201CC..  trans-65.4150.9177.300000111.9L57 P108L57-G80 PolarHBondContact O-N 3.3Å; G80-P108 VanDerWaalsContact O-CB 3.29Å; G80-P108 WeakPolarHBondContact O-CB 3.25Å
81E94.9Very high97.3Very high113 Ų11338.8 Ų38.853%0.52821%0.205SC..THydrogen-bonded Turntrans-78.6149.7168.6-59.8-69.1176.600109.1L83 R177E81-L83 PolarHBondContact O-N 3.3Å; E81-R177 IonicContact OE1-CZ 2.64Å; E81-R177 VanDerWaalsContact OE1-CZ 3.23Å; E81-R177 IonicContact OE1-NH1 2.85Å; E81-R177 PolarHBondContact OE1-NH1 2.79Å; E81-R177 IonicContact OE1-NH2 3.38Å; E81-R177 PolarHBondContact OE1-NH2 3.37Å
82G93.8Very high97.3Very high24 Ų2441.6 Ų41.625%0.24722%0.218CC..THydrogen-bonded Turntrans75.818.4174.800000115.4D84 Q85G82-D84 VanDerWaalsContact C-OD1 3.32Å; G82-D84 WeakPolarHBondContact CA-OD1 3.37Å; G82-D84 PolarHBondContact O-N 3.17Å; G82-D84 VanDerWaalsContact O-N 3.12Å; G82-Q85 WeakPolarHBondContact O-CB 3.31Å; G82-Q85 PolarHBondContact O-N 3.06Å
83L96.9Very high97.4Very high3 Ų340 Ų402%0.01621%0.209CC..Hα-helixtrans-56.9-26175.7-73.5178.3000113.2L57 F60 I79 E81 Q85 A86 L87 L112L57-L83 HydrophobicContact CD2-CD1 4.08Å; L57-L83 HydrophobicContact CG-CD1 4.3Å; F60-L83 HydrophobicContact CD2-CD2 3.93Å; F60-L83 HydrophobicContact CE2-CD2 4.26Å; I79-L83 HydrophobicContact CG2-CD1 3.46Å; I79-L83 VanDerWaalsContact CG2-CD1 3.46Å; E81-L83 PolarHBondContact O-N 3.3Å; L83-Q85 VanDerWaalsContact C-N 3.28Å; L83-Q85 PolarHBondContact O-N 2.87Å; L83-A86 PolarHBondContact O-N 3.41Å; L83-L87 WeakPolarHBondContact O-CA 3.46Å; L83-L87 WeakPolarHBondContact O-CB 3.36Å; L83-L87 PolarHBondContact O-N 2.7Å; L83-L112 HydrophobicContact CB-CD2 3.92Å; L83-L112 HydrophobicContact CB-CG 4.35Å
84D97Very high97.4Very high55 Ų5537.6 Ų37.629%0.29420%0.196SC..Hα-helixtrans-65.3-27.1174.557.5-57.8000113.8G82 P88 S111 L112G82-D84 VanDerWaalsContact C-OD1 3.32Å; G82-D84 WeakPolarHBondContact CA-OD1 3.37Å; G82-D84 PolarHBondContact O-N 3.17Å; G82-D84 VanDerWaalsContact O-N 3.12Å; D84-P88 WeakPolarHBondContact O-CA 3.28Å; D84-S111 WeakPolarHBondContact CB-O 3.42Å; D84-S111 VanDerWaalsContact CG-OG 3.28Å; D84-S111 WeakPolarHBondContact OD1-CB 3.26Å; D84-S111 PolarHBondContact OD1-OG 3.44Å; D84-L112 HydrophobicContact CB-CD2 4.37Å
85Q97.5Very high97.4Very high153 Ų15337.1 Ų37.172%0.71519%0.194SC*.Hα-helixtrans-73.6-34.6175.5-58.31791400111.3L62 G82 L83L62-Q85 VanDerWaalsContact CD1-O 3.28Å; L62-Q85 WeakPolarHBondContact CD1-O 3.39Å; G82-Q85 WeakPolarHBondContact O-CB 3.31Å; G82-Q85 PolarHBondContact O-N 3.06Å; L83-Q85 VanDerWaalsContact C-N 3.28Å; L83-Q85 PolarHBondContact O-N 2.87Å
86A98Very high97.4Very high15 Ų1533.6 Ų33.612%0.12418%0.183CC..Hα-helixtrans-85.6-39.7178.500000112.2F60 L62 L63 L83 P88F60-A86 HydrophobicContact CB-CB 3.83Å; F60-A86 WeakPolarHBondContact O-CB 3.44Å; L62-A86 CarbonylContact C-O 3.59Å; L62-A86 WeakPolarHBondContact CA-O 3.36Å; L63-A86 PolarHBondContact N-O 3.38Å; L83-A86 PolarHBondContact O-N 3.41Å; A86-P88 VanDerWaalsContact C-CD 3.4Å; A86-P88 VanDerWaalsContact O-CD 3.3Å; A86-P88 WeakPolarHBondContact O-CD 3.48Å
87L98.3Very high97.4Very high2 Ų236.9 Ų36.91%0.0120%0.201CC..  trans-124.661.1-170.6-52.2-178.7000111.5F60 L63 L66 L83 C89 L90F60-L87 HydrophobicContact CB-CD2 3.95Å; F60-L87 HydrophobicContact CB-CG 4.23Å; F60-L87 HydrophobicContact CD1-CD1 4.14Å; F60-L87 HydrophobicContact CD1-CD2 4.02Å; F60-L87 HydrophobicContact CD2-CD1 4.05Å; F60-L87 HydrophobicContact CE1-CD1 4.36Å; F60-L87 HydrophobicContact CE2-CD1 4.29Å; F60-L87 HydrophobicContact CG-CD1 3.98Å; F60-L87 HydrophobicContact CG-CD2 4.05Å; F60-L87 HydrophobicContact CG-CG 4.21Å; F60-L87 HydrophobicContact CZ-CD1 4.43Å; L63-L87 HydrophobicContact CB-CD2 3.95Å; L63-L87 HydrophobicContact CD1-CD2 4.11Å; L63-L87 HydrophobicContact CG-CD2 4.36Å; L66-L87 HydrophobicContact CD2-CD2 3.83Å; L83-L87 WeakPolarHBondContact O-CA 3.46Å; L83-L87 WeakPolarHBondContact O-CB 3.36Å; L83-L87 PolarHBondContact O-N 2.7Å; L87-C89 PolarHBondContact O-N 2.98Å; L87-C89 VanDerWaalsContact O-N 3.14Å; L87-L90 HydrophobicContact CB-CB 4.07Å; L87-L90 HydrophobicContact CD1-CD2 4.14Å; L87-L90 PolarHBondContact O-N 3.39Å
88P98Very high97.5Very high47 Ų4735.9 Ų35.931%0.30519%0.193SC..THydrogen-bonded Turntrans-63.3-24.5-171.825.8-36.1000114.1L62 D84 A86 S114L62-P88 HydrophobicContact CD1-CG 4.19Å; D84-P88 WeakPolarHBondContact O-CA 3.28Å; A86-P88 VanDerWaalsContact C-CD 3.4Å; A86-P88 VanDerWaalsContact O-CD 3.3Å; A86-P88 WeakPolarHBondContact O-CD 3.48Å; P88-S114 PolarHBondContact O-OG 3.41Å
89C98.3Very high97.6Very high53 Ų5335 Ų3536%0.35820%0.197SC..THydrogen-bonded Turntrans-104.28.8-175.6-62.70000113.7R64 L66 L87 T91R64-C89 WeakPolarHBondContact O-CB 3.28Å; R64-C89 PolarHBondContact O-SG 3.07Å; L66-C89 CarbonylContact O-C 3.56Å; L87-C89 PolarHBondContact O-N 2.98Å; L87-C89 VanDerWaalsContact O-N 3.14Å; C89-T91 PolarHBondContact O-N 2.86Å; C89-T91 VanDerWaalsContact O-N 3.17Å
90L98.7Very high97.6Very high2 Ų234.4 Ų34.41%0.0119%0.193CC..  trans-64.9117.2-177.5-168.673.2000111.1K67 L69 L87 L93 L112 S114 L115K67-L90 WeakPolarHBondContact O-CD1 3.38Å; L69-L90 HydrophobicContact CB-CD1 3.88Å; L87-L90 HydrophobicContact CB-CB 4.07Å; L87-L90 HydrophobicContact CD1-CD2 4.14Å; L87-L90 PolarHBondContact O-N 3.39Å; L90-L93 HydrophobicContact CD2-CB 4.39Å; L90-L112 HydrophobicContact CD2-CD1 4.11Å; L90-L112 HydrophobicContact CD2-CD2 4.44Å; L90-S114 CarbonylContact O-C 3.53Å; L90-S114 WeakPolarHBondContact O-CB 3.45Å; L90-L115 WeakPolarHBondContact O-CA 3.26Å; L90-L115 PolarHBondContact O-N 3.06Å
91T98.7Very high97.6Very high46 Ų4635.6 Ų35.628%0.28220%0.2SC..  trans-106.4-29.2-178.5520000113.6K67 C89 T116 Y117K67-T91 PolarHBondContact O-N 3.42Å; K67-T91 PolarHBondContact O-OG1 3.35Å; K67-T91 VanDerWaalsContact O-OG1 3.11Å; C89-T91 PolarHBondContact O-N 2.86Å; C89-T91 VanDerWaalsContact O-N 3.17Å; T91-T116 PolarHBondContact O-N 3.36Å; T91-Y117 PolarHBondContact O-N 3.15Å
92E98.8Very high97.6Very high59 Ų5932 Ų3228%0.27618%0.183SC..EExtended strand (participates in β ladder)trans-131.1125.1-176.9-179165.9-154.400111.3K67 T68 L69 I94 Y117K67-E92 PolarHBondContact O-N 3.31Å; T68-E92 WeakPolarHBondContact CA-O 3.19Å; T68-E92 HydrophobicContact CG2-CB 4.11Å; T68-E92 HydrophobicContact CG2-CG 4.07Å; L69-E92 PolarHBondContact N-O 3.04Å; E92-I94 HydrophobicContact CG-CD1 3.9Å; E92-I94 HydrophobicContact CG-CG1 4.06Å; E92-Y117 WeakPolarHBondContact CA-O 3.21Å
93L98.8Very high97.8Very high0 Ų031 Ų310%017%0.172CC..EExtended strand (participates in β ladder)trans-131.5114.3177.617859.4000110.1L57 L69 V71 L90 L95 L109 L115 Y117 L118 S119L57-L93 HydrophobicContact CD2-CD1 4.02Å; L57-L93 HydrophobicContact CD2-CD2 3.91Å; L69-L93 HydrophobicContact CB-CD1 4.06Å; L69-L93 HydrophobicContact CD2-CD1 3.97Å; L69-L93 HydrophobicContact CG-CD1 4.31Å; V71-L93 HydrophobicContact CG2-CD1 4.33Å; L90-L93 HydrophobicContact CD2-CB 4.39Å; L93-L95 HydrophobicContact CD1-CD1 4.48Å; L93-L95 HydrophobicContact CD1-CD2 4.46Å; L93-L95 HydrophobicContact CD1-CG 4.14Å; L93-L95 HydrophobicContact CD2-CD1 3.81Å; L93-L95 HydrophobicContact CD2-CG 4.35Å; L93-L95 HydrophobicContact CG-CD1 3.96Å; L93-L95 HydrophobicContact CG-CG 3.98Å; L93-L109 HydrophobicContact CD2-CD2 3.63Å; L93-L115 HydrophobicContact CB-CD1 3.75Å; L93-Y117 PolarHBondContact N-O 3.31Å; L93-L118 HydrophobicContact CB-CD1 4.26Å; L93-L118 HydrophobicContact CD2-CD1 4.31Å; L93-L118 HydrophobicContact CG-CD1 4.31Å; L93-L118 WeakPolarHBondContact O-CA 3.33Å; L93-S119 PolarHBondContact O-N 3.23Å; L93-S119 VanDerWaalsContact O-N 3.14Å
94I98.7Very high97.8Very high10 Ų1030.8 Ų30.85%0.05117%0.172CC..EExtended strand (participates in β ladder)trans-109.6106.6-179.1-50.6-57.7000109.2L69 L70 V71 N72 E92 T96L69-I94 PolarHBondContact O-N 2.6Å; L70-I94 HydrophobicContact CD2-CB 3.98Å; L70-I94 HydrophobicContact CD2-CG1 3.61Å; V71-I94 CarbonylContact C-O 3.46Å; V71-I94 WeakPolarHBondContact CA-O 3.47Å; V71-I94 PolarHBondContact N-O 3.05Å; N72-I94 WeakPolarHBondContact OD1-CG2 3.25Å; E92-I94 HydrophobicContact CG-CD1 3.9Å; E92-I94 HydrophobicContact CG-CG1 4.06Å; I94-T96 WeakPolarHBondContact CG2-OG1 3.44Å
95L98.6Very high97.7Very high0 Ų028.7 Ų28.70%016%0.16CC..  trans-107.924.2-179.8-71.4163.4000112L57 V71 I76 I79 L93 N97 N98 L100 S119 N123L57-L95 HydrophobicContact CD2-CD2 4.35Å; V71-L95 HydrophobicContact CB-CD2 4.17Å; I76-L95 HydrophobicContact CB-CD2 4.39Å; I76-L95 HydrophobicContact CG1-CD2 4.21Å; I76-L95 HydrophobicContact CG2-CD2 4.24Å; I79-L95 HydrophobicContact CD1-CD1 4.26Å; L93-L95 HydrophobicContact CD1-CD1 4.48Å; L93-L95 HydrophobicContact CD1-CD2 4.46Å; L93-L95 HydrophobicContact CD1-CG 4.14Å; L93-L95 HydrophobicContact CD2-CD1 3.81Å; L93-L95 HydrophobicContact CD2-CG 4.35Å; L93-L95 HydrophobicContact CG-CD1 3.96Å; L93-L95 HydrophobicContact CG-CG 3.98Å; L95-N97 PolarHBondContact O-N 2.89Å; L95-N98 VanDerWaalsContact C-ND2 3.28Å; L95-N98 WeakPolarHBondContact O-CB 3.33Å; L95-N98 PolarHBondContact O-ND2 2.85Å; L95-L100 HydrophobicContact CD1-CD1 4.13Å; L95-S119 CarbonylContact C-O 3.48Å; L95-S119 WeakPolarHBondContact CA-O 3.45Å; L95-S119 WeakPolarHBondContact CB-O 3.43Å; L95-S119 PolarHBondContact N-O 2.85Å; L95-N123 PolarHBondContact O-ND2 3.33Å
96T98.4Very high97.7Very high19 Ų1921.5 Ų21.512%0.11713%0.127CC..  trans-58.3135.9-177.1-51.10000111N72 N73 I94 N98 S119 L121N72-T96 WeakPolarHBondContact CA-O 3.37Å; N72-T96 WeakPolarHBondContact OD1-CB 3.4Å; N73-T96 PolarHBondContact N-O 2.92Å; I94-T96 WeakPolarHBondContact CG2-OG1 3.44Å; T96-N98 PolarHBondContact O-ND2 3.49Å; T96-S119 PolarHBondContact OG1-OG 2.86Å; T96-L121 CarbonylContact C-O 3.6Å; T96-L121 VanDerWaalsContact CA-O 3.26Å; T96-L121 WeakPolarHBondContact CA-O 3.26Å; T96-L121 HydrophobicContact CG2-CB 4.08Å
97N98.2Very high97.7Very high70 Ų7022.2 Ų22.237%0.37413%0.129SC..SBendtrans58.763.7178.3-167.635.6000112.9N73 N74 L95 L121 R122N73-N97 VanDerWaalsContact CA-O 3.31Å; N73-N97 WeakPolarHBondContact CA-O 3.22Å; N73-N97 PolarHBondContact N-O 3.48Å; N73-N97 WeakPolarHBondContact OD1-CB 3.3Å; N73-N97 PolarHBondContact OD1-ND2 3.08Å; N74-N97 PolarHBondContact N-O 3.46Å; L95-N97 PolarHBondContact O-N 2.89Å; N97-L121 PolarHBondContact N-O 3.23Å; N97-R122 WeakPolarHBondContact CA-O 3.39Å; N97-R122 HydrophobicContact CB-CB 4.09Å
98N98.3Very high97.7Very high6 Ų622.4 Ų22.43%0.03213%0.13CC..  trans-125.6-165.6176.2-87.5-77.8000110.8V71 N74 R75 I76 L95 T96 N123V71-N98 PolarHBondContact O-ND2 3.44Å; N74-N98 VanDerWaalsContact CA-OD1 3.32Å; N74-N98 WeakPolarHBondContact CA-OD1 3.07Å; N74-N98 WeakPolarHBondContact CB-OD1 3.35Å; N74-N98 PolarHBondContact O-OD1 2.87Å; R75-N98 PolarHBondContact N-OD1 3.03Å; I76-N98 HydrophobicContact CB-CB 4.08Å; I76-N98 VanDerWaalsContact CB-OD1 3.26Å; I76-N98 WeakPolarHBondContact CB-OD1 3.36Å; I76-N98 WeakPolarHBondContact CG1-OD1 3.44Å; I76-N98 PolarHBondContact N-OD1 3.09Å; L95-N98 VanDerWaalsContact C-ND2 3.28Å; L95-N98 WeakPolarHBondContact O-CB 3.33Å; L95-N98 PolarHBondContact O-ND2 2.85Å; T96-N98 PolarHBondContact O-ND2 3.49Å; N98-N123 VanDerWaalsContact CA-OD1 3.25Å; N98-N123 WeakPolarHBondContact CA-OD1 3.26Å; N98-N123 WeakPolarHBondContact CB-OD1 2.96Å; N98-N123 PolarHBondContact O-OD1 3Å
99S97.3Very high97.7Very high43 Ų4320.1 Ų20.130%0.30112%0.115SC..  trans-119.330.6-173-58.50000113.3I76 C77 V101 N123I76-S99 CarbonylContact O-C 3.26Å; I76-S99 VanDerWaalsContact O-CA 3.25Å; I76-S99 WeakPolarHBondContact O-CA 3.49Å; I76-S99 PolarHBondContact O-N 3.49Å; C77-S99 WeakPolarHBondContact CA-O 3.33Å; C77-S99 WeakPolarHBondContact CB-O 3.43Å; S99-V101 PolarHBondContact O-N 2.97Å; S99-N123 PolarHBondContact N-OD1 3.36Å
100L96.6Very high97.6Very high0 Ų018.8 Ų18.80%011%0.108CC..  trans-73.2122174.3-68.2164.1000109.4I76 I79 L95 D105 L106 I120 N123 P124 V125I76-L100 HydrophobicContact CG2-CD2 4.3Å; I76-L100 HydrophobicContact CG2-CG 4.45Å; I76-L100 PolarHBondContact O-N 2.82Å; I76-L100 VanDerWaalsContact O-N 3.08Å; I79-L100 HydrophobicContact CD1-CD1 4.28Å; I79-L100 HydrophobicContact CD1-CD2 4.37Å; I79-L100 HydrophobicContact CG1-CD2 4.1Å; L95-L100 HydrophobicContact CD1-CD1 4.13Å; L100-D105 HydrophobicContact CD2-CB 4.12Å; L100-L106 HydrophobicContact CD1-CD2 3.84Å; L100-I120 HydrophobicContact CD1-CG2 4.2Å; L100-N123 HydrophobicContact CB-CB 4.19Å; L100-N123 WeakPolarHBondContact CB-OD1 3.34Å; L100-N123 PolarHBondContact N-OD1 2.97Å; L100-P124 VanDerWaalsContact O-CD 3.29Å; L100-P124 WeakPolarHBondContact O-CD 3.47Å; L100-V125 HydrophobicContact CB-CG1 4.03Å; L100-V125 WeakPolarHBondContact O-CB 3.46Å; L100-V125 PolarHBondContact O-N 3.45Å
101V95.8Very high97.6Very high27 Ų2719.9 Ų19.916%0.16412%0.116CC..  trans-106.9-49.3-171.6-178.80000111.8S99 P124 V125 K128S99-V101 PolarHBondContact O-N 2.97Å; V101-P124 HydrophobicContact CG2-CB 4.32Å; V101-P124 HydrophobicContact CG2-CG 4.36Å; V101-V125 WeakPolarHBondContact O-CA 3.46Å; V101-V125 WeakPolarHBondContact O-CB 3.46Å; V101-K128 WeakPolarHBondContact O-CD 3.38Å; V101-K128 WeakPolarHBondContact O-CE 3.37Å
102E96Very high97.5Very high37 Ų3717.9 Ų17.917%0.17310%0.103CC..SBendtrans-103.9149.8-170.8-62.4-68.5151.200112.9G104 D105 K128 R176E102-G104 VanDerWaalsContact C-N 3.29Å; E102-G104 PolarHBondContact O-N 3.11Å; E102-D105 WeakPolarHBondContact CB-OD2 3.32Å; E102-D105 PolarHBondContact N-OD2 3.33Å; E102-D105 VanDerWaalsContact O-CB 3.3Å; E102-D105 WeakPolarHBondContact O-CB 3.41Å; E102-D105 PolarHBondContact O-N 2.96Å; E102-D105 VanDerWaalsContact O-N 3.09Å; E102-K128 IonicContact OE1-NZ 2.93Å; E102-K128 PolarHBondContact OE1-NZ 3.39Å; E102-K128 VanDerWaalsContact OE2-CE 3.26Å; E102-K128 WeakPolarHBondContact OE2-CE 3.27Å; E102-K128 IonicContact OE2-NZ 3.42Å; E102-K128 PolarHBondContact OE2-NZ 3.43Å; E102-R176 WeakPolarHBondContact CB-O 3.41Å
103L97.1Very high97.5Very high3 Ų322.2 Ų22.22%0.01612%0.121CC..G310 helixtrans-62.8-37.5-177.3-71.3173000111.9D105 L106 V125 K128 Y131 Y134 I174L103-D105 PolarHBondContact O-N 3.23Å; L103-L106 WeakPolarHBondContact O-CB 3.42Å; L103-L106 PolarHBondContact O-N 2.83Å; L103-L106 VanDerWaalsContact O-N 3.09Å; L103-V125 HydrophobicContact CD2-CG2 3.74Å; L103-V125 HydrophobicContact CG-CG2 4.31Å; L103-K128 HydrophobicContact CD1-CB 4.4Å; L103-K128 HydrophobicContact CD2-CB 4.34Å; L103-K128 HydrophobicContact CG-CB 4.23Å; L103-K128 HydrophobicContact CG-CD 4.07Å; L103-Y131 HydrophobicContact CD2-CD2 4.16Å; L103-Y134 HydrophobicContact CB-CD1 3.89Å; L103-Y134 HydrophobicContact CB-CE1 3.7Å; L103-Y134 HydrophobicContact CB-CG 4.39Å; L103-Y134 HydrophobicContact CD1-CD1 4.45Å; L103-Y134 HydrophobicContact CD1-CD2 4.42Å; L103-Y134 HydrophobicContact CD1-CG 4.19Å; L103-Y134 HydrophobicContact CD2-CD1 3.97Å; L103-Y134 HydrophobicContact CD2-CG 4.31Å; L103-Y134 HydrophobicContact CG-CD1 4.32Å; L103-Y134 WeakPolarHBondContact O-CE1 3.41Å; L103-I174 HydrophobicContact CD1-CB 4.03Å; L103-I174 HydrophobicContact CD1-CD1 3.86Å; L103-I174 HydrophobicContact CD1-CG1 3.89Å
104G96.3Very high97.4Very high0 Ų024.4 Ų24.40%014%0.136CC..G310 helixtrans-67.6-15.517800000113.6E102 L106 D107 R176 R177E102-G104 VanDerWaalsContact C-N 3.29Å; E102-G104 PolarHBondContact O-N 3.11Å; G104-L106 PolarHBondContact O-N 3.09Å; G104-D107 WeakPolarHBondContact O-CB 3.3Å; G104-D107 PolarHBondContact O-N 2.9Å; G104-R176 VanDerWaalsContact CA-O 3.32Å; G104-R176 WeakPolarHBondContact CA-O 3.4Å; G104-R176 PolarHBondContact N-O 2.78Å; G104-R177 WeakPolarHBondContact O-CG 3.29Å; G104-R177 PolarHBondContact O-NE 3.3Å
105D96.1Very high97.4Very high10 Ų1024 Ų245%0.05313%0.134CC..G310 helixtrans-69.5-16.7174-58.7-32.1000111.5L100 E102 L103 R177 S178L100-D105 HydrophobicContact CD2-CB 4.12Å; E102-D105 WeakPolarHBondContact CB-OD2 3.32Å; E102-D105 PolarHBondContact N-OD2 3.33Å; E102-D105 VanDerWaalsContact O-CB 3.3Å; E102-D105 WeakPolarHBondContact O-CB 3.41Å; E102-D105 PolarHBondContact O-N 2.96Å; E102-D105 VanDerWaalsContact O-N 3.09Å; L103-D105 PolarHBondContact O-N 3.23Å; D105-R177 WeakPolarHBondContact OD1-CA 3.39Å; D105-S178 PolarHBondContact OD1-N 3.24Å; D105-S178 WeakPolarHBondContact OD2-CB 3.32Å; D105-S178 PolarHBondContact OD2-OG 2.95Å
106L97.9Very high97.4Very high3 Ų325.4 Ų25.42%0.01614%0.143CC..G310 helixtrans-90.3-15.2177.9-52.6179.3000113.2I79 L100 L103 G104 P108 L109 I120 V125 Y131 V135I79-L106 HydrophobicContact CD1-CD2 4.35Å; L100-L106 HydrophobicContact CD1-CD2 3.84Å; L103-L106 WeakPolarHBondContact O-CB 3.42Å; L103-L106 PolarHBondContact O-N 2.83Å; L103-L106 VanDerWaalsContact O-N 3.09Å; G104-L106 PolarHBondContact O-N 3.09Å; L106-P108 VanDerWaalsContact C-N 3.33Å; L106-L109 HydrophobicContact CB-CD1 4.47Å; L106-L109 HydrophobicContact CD2-CD1 4.49Å; L106-L109 VanDerWaalsContact O-CB 3.27Å; L106-L109 WeakPolarHBondContact O-CB 3.14Å; L106-L109 WeakPolarHBondContact O-CG 3.18Å; L106-L109 PolarHBondContact O-N 3.39Å; L106-L109 VanDerWaalsContact O-N 3.07Å; L106-I120 HydrophobicContact CD1-CD1 4.02Å; L106-I120 HydrophobicContact CD2-CD1 3.93Å; L106-I120 HydrophobicContact CD2-CG2 4.43Å; L106-V125 HydrophobicContact CD1-CG1 4.34Å; L106-V125 HydrophobicContact CD1-CG2 3.92Å; L106-V125 HydrophobicContact CG-CG2 4.41Å; L106-Y131 HydrophobicContact CD1-CD2 4.33Å; L106-Y131 HydrophobicContact CD1-CE2 4.05Å; L106-V135 HydrophobicContact CD1-CG2 3.64Å
107D97.2Very high97.5Very high30 Ų3029.9 Ų29.916%0.1616%0.158CC..G310 helixtrans-52.2-39.4-177.5-81.6-26.7000114.7G104 L109 A110 Y134 K138G104-D107 WeakPolarHBondContact O-CB 3.3Å; G104-D107 PolarHBondContact O-N 2.9Å; D107-L109 PolarHBondContact O-N 3.27Å; D107-L109 VanDerWaalsContact O-N 3.12Å; D107-A110 VanDerWaalsContact O-CB 3.24Å; D107-A110 WeakPolarHBondContact O-CB 3.32Å; D107-A110 PolarHBondContact O-N 3.39Å; D107-Y134 PolarHBondContact OD1-OH 2.81Å; D107-K138 WeakPolarHBondContact OD1-CE 3.24Å; D107-K138 IonicContact OD1-NZ 3.78Å; D107-K138 PolarHBondContact OD1-NZ 3.02Å
108P97.4Very high97.5Very high5 Ų526.7 Ų26.73%0.03214%0.141CC..G310 helixtrans-59.6-24.8-180-2535.4000113.7I79 G80 L106 A110 S111I79-P108 HydrophobicContact CB-CB 4.34Å; I79-P108 HydrophobicContact CB-CG 4.29Å; I79-P108 HydrophobicContact CG2-CB 3.92Å; I79-P108 HydrophobicContact CG2-CG 4.41Å; G80-P108 VanDerWaalsContact O-CB 3.29Å; G80-P108 WeakPolarHBondContact O-CB 3.25Å; L106-P108 VanDerWaalsContact C-N 3.33Å; P108-A110 PolarHBondContact O-N 3.34Å; P108-A110 VanDerWaalsContact O-N 3.11Å; P108-S111 PolarHBondContact O-N 2.9Å; P108-S111 VanDerWaalsContact O-N 3.13Å; P108-S111 PolarHBondContact O-OG 3.21Å
109L98.1Very high97.5Very high0 Ų026.5 Ų26.50%014%0.14CC..G310 helixtrans-61.7-20.7177-62.2176.3000112.9I79 L93 L106 D107 S111 L112 L115 L118 V139 Q141I79-L109 HydrophobicContact CD1-CD1 3.85Å; I79-L109 HydrophobicContact CD1-CD2 3.85Å; I79-L109 HydrophobicContact CD1-CG 3.73Å; I79-L109 HydrophobicContact CG2-CD2 4.14Å; L93-L109 HydrophobicContact CD2-CD2 3.63Å; L106-L109 HydrophobicContact CB-CD1 4.47Å; L106-L109 HydrophobicContact CD2-CD1 4.49Å; L106-L109 VanDerWaalsContact O-CB 3.27Å; L106-L109 WeakPolarHBondContact O-CB 3.14Å; L106-L109 WeakPolarHBondContact O-CG 3.18Å; L106-L109 PolarHBondContact O-N 3.39Å; L106-L109 VanDerWaalsContact O-N 3.07Å; D107-L109 PolarHBondContact O-N 3.27Å; D107-L109 VanDerWaalsContact O-N 3.12Å; L109-S111 PolarHBondContact O-N 3.35Å; L109-L112 HydrophobicContact CD2-CD1 3.87Å; L109-L112 PolarHBondContact O-N 3.38Å; L109-L115 HydrophobicContact CB-CD2 4.46Å; L109-L115 HydrophobicContact CD2-CD2 4.44Å; L109-L118 HydrophobicContact CD1-CD1 4.21Å; L109-L118 HydrophobicContact CD1-CD2 3.95Å; L109-V139 HydrophobicContact CB-CG1 4.34Å; L109-V139 HydrophobicContact CB-CG2 3.97Å; L109-Q141 PolarHBondContact O-NE2 3.22Å
110A97.6Very high97.6Very high25 Ų2524.4 Ų24.421%0.20713%0.126CC..G310 helixtrans-62.2-22.1176.500000113.3D107 P108 K113 K138 Q141D107-A110 VanDerWaalsContact O-CB 3.24Å; D107-A110 WeakPolarHBondContact O-CB 3.32Å; D107-A110 PolarHBondContact O-N 3.39Å; P108-A110 PolarHBondContact O-N 3.34Å; P108-A110 VanDerWaalsContact O-N 3.11Å; A110-K113 PolarHBondContact O-NZ 3.09Å; A110-K138 WeakPolarHBondContact CB-O 3.05Å; A110-Q141 PolarHBondContact O-NE2 3.33Å
111S97.3Very high97.6Very high25 Ų2527.4 Ų27.418%0.17514%0.142CC..G310 helixtrans-76.3-29.9178.580.40000112.8D84 P108 L109 K113D84-S111 WeakPolarHBondContact CB-O 3.42Å; D84-S111 VanDerWaalsContact CG-OG 3.28Å; D84-S111 WeakPolarHBondContact OD1-CB 3.26Å; D84-S111 PolarHBondContact OD1-OG 3.44Å; P108-S111 PolarHBondContact O-N 2.9Å; P108-S111 VanDerWaalsContact O-N 3.13Å; P108-S111 PolarHBondContact O-OG 3.21Å; L109-S111 PolarHBondContact O-N 3.35Å; S111-K113 WeakPolarHBondContact O-CD 3.01Å; S111-K113 WeakPolarHBondContact O-CE 3.37Å; S111-K113 WeakPolarHBondContact O-CG 3.27Å; S111-K113 PolarHBondContact O-N 2.76Å
112L98.1Very high97.7Very high3 Ų333.2 Ų33.22%0.01616%0.161CC..  trans-70.984.3-178.7-65.8169.2000112.2L83 D84 L90 L109 S114 L115 Q141L83-L112 HydrophobicContact CB-CD2 3.92Å; L83-L112 HydrophobicContact CB-CG 4.35Å; D84-L112 HydrophobicContact CB-CD2 4.37Å; L90-L112 HydrophobicContact CD2-CD1 4.11Å; L90-L112 HydrophobicContact CD2-CD2 4.44Å; L109-L112 HydrophobicContact CD2-CD1 3.87Å; L109-L112 PolarHBondContact O-N 3.38Å; L112-S114 VanDerWaalsContact C-N 3.26Å; L112-S114 PolarHBondContact O-N 3.03Å; L112-L115 HydrophobicContact CB-CB 3.9Å; L112-L115 HydrophobicContact CB-CD2 4.46Å; L112-L115 HydrophobicContact CD1-CD2 4.23Å; L112-L115 VanDerWaalsContact O-CB 3.3Å; L112-L115 WeakPolarHBondContact O-CB 3.33Å; L112-L115 PolarHBondContact O-N 2.79Å; L112-L115 VanDerWaalsContact O-N 3.14Å; L112-Q141 WeakPolarHBondContact O-CG 3.31Å; L112-Q141 PolarHBondContact O-NE2 3.33Å
113K97.4Very high97.7Very high151 Ų15131.6 Ų31.666%0.65715%0.153SC*.THydrogen-bonded Turntrans-63.6-27.2-171.2-55.3-51175.5-1680114.8A110 S111A110-K113 PolarHBondContact O-NZ 3.09Å; S111-K113 WeakPolarHBondContact O-CD 3.01Å; S111-K113 WeakPolarHBondContact O-CE 3.37Å; S111-K113 WeakPolarHBondContact O-CG 3.27Å; S111-K113 PolarHBondContact O-N 2.76Å
114S98.1Very high97.7Very high46 Ų4631.9 Ų31.932%0.32216%0.155SC..THydrogen-bonded Turntrans-84.7-11.1-179.7-560000113.4P88 L90 L112 T116P88-S114 PolarHBondContact O-OG 3.41Å; L90-S114 CarbonylContact O-C 3.53Å; L90-S114 WeakPolarHBondContact O-CB 3.45Å; L112-S114 VanDerWaalsContact C-N 3.26Å; L112-S114 PolarHBondContact O-N 3.03Å; S114-T116 PolarHBondContact O-N 3.44Å; S114-T116 VanDerWaalsContact O-N 3.15Å; S114-T116 PolarHBondContact O-OG1 2.86Å
115L98.7Very high97.7Very high0 Ų031.9 Ų31.90%016%0.155CC..  trans-64.6116.3-172.7-17465.8000111.3L90 L93 L109 L112 L118 V139 Q141 V142L90-L115 WeakPolarHBondContact O-CA 3.26Å; L90-L115 PolarHBondContact O-N 3.06Å; L93-L115 HydrophobicContact CB-CD1 3.75Å; L109-L115 HydrophobicContact CB-CD2 4.46Å; L109-L115 HydrophobicContact CD2-CD2 4.44Å; L112-L115 HydrophobicContact CB-CB 3.9Å; L112-L115 HydrophobicContact CB-CD2 4.46Å; L112-L115 HydrophobicContact CD1-CD2 4.23Å; L112-L115 VanDerWaalsContact O-CB 3.3Å; L112-L115 WeakPolarHBondContact O-CB 3.33Å; L112-L115 PolarHBondContact O-N 2.79Å; L112-L115 VanDerWaalsContact O-N 3.14Å; L115-L118 HydrophobicContact CD2-CD2 4.39Å; L115-V139 HydrophobicContact CD2-CG1 4.41Å; L115-Q141 HydrophobicContact CB-CG 4.32Å; L115-Q141 CarbonylContact O-C 3.08Å; L115-Q141 WeakPolarHBondContact O-CG 3.44Å; L115-V142 HydrophobicContact CD2-CG2 4.13Å; L115-V142 HydrophobicContact CG-CG2 4.11Å; L115-V142 PolarHBondContact O-N 2.98Å
116T98.7Very high97.7Very high30 Ų3033.2 Ų33.218%0.18416%0.163CC..  trans-116.9-39.4-172.5-61.60000112T91 S114 R143 V144T91-T116 PolarHBondContact O-N 3.36Å; S114-T116 PolarHBondContact O-N 3.44Å; S114-T116 VanDerWaalsContact O-N 3.15Å; S114-T116 PolarHBondContact O-OG1 2.86Å; T116-R143 HydrophobicContact CG2-CB 3.9Å; T116-R143 HydrophobicContact CG2-CG 3.94Å; T116-R143 PolarHBondContact O-N 3.17Å; T116-V144 PolarHBondContact O-N 2.9Å; T116-V144 VanDerWaalsContact O-N 3.09Å
117Y98.8Very high97.6Very high114 Ų11436.6 Ų36.645%0.44718%0.181SC..EExtended strand (participates in β ladder)trans-115.6120.5-179.3-57.4-89000109.4T91 E92 L93 V144T91-Y117 PolarHBondContact O-N 3.15Å; E92-Y117 WeakPolarHBondContact CA-O 3.21Å; L93-Y117 PolarHBondContact N-O 3.31Å; Y117-V144 HydrophobicContact CD1-CB 3.7Å; Y117-V144 HydrophobicContact CD1-CG1 4.32Å; Y117-V144 HydrophobicContact CD1-CG2 3.79Å; Y117-V144 HydrophobicContact CE1-CB 4.16Å; Y117-V144 HydrophobicContact CE1-CG2 3.7Å
118L98.8Very high97.5Very high3 Ų337.2 Ų37.22%0.01618%0.183CC..EExtended strand (participates in β ladder)trans-134.2128.6-178.5177.160.2000109.5L93 L109 L115 I120 V135 V142 V144 L145 D146L93-L118 HydrophobicContact CB-CD1 4.26Å; L93-L118 HydrophobicContact CD2-CD1 4.31Å; L93-L118 HydrophobicContact CG-CD1 4.31Å; L93-L118 WeakPolarHBondContact O-CA 3.33Å; L109-L118 HydrophobicContact CD1-CD1 4.21Å; L109-L118 HydrophobicContact CD1-CD2 3.95Å; L115-L118 HydrophobicContact CD2-CD2 4.39Å; L118-I120 HydrophobicContact CD1-CD1 4.19Å; L118-I120 HydrophobicContact CD1-CG1 3.9Å; L118-I120 HydrophobicContact CD2-CD1 3.79Å; L118-I120 HydrophobicContact CD2-CG1 4.38Å; L118-I120 HydrophobicContact CG-CD1 3.96Å; L118-I120 HydrophobicContact CG-CG1 4Å; L118-V135 HydrophobicContact CD2-CG1 4.12Å; L118-V142 HydrophobicContact CB-CG1 4.1Å; L118-V142 HydrophobicContact CB-CG2 4.04Å; L118-V142 HydrophobicContact CD2-CG2 4.07Å; L118-V144 PolarHBondContact N-O 3.43Å; L118-L145 HydrophobicContact CB-CD1 4.29Å; L118-L145 HydrophobicContact CD2-CD1 4.09Å; L118-L145 HydrophobicContact CG-CD1 4.05Å; L118-L145 CarbonylContact O-C 3.28Å; L118-L145 WeakPolarHBondContact O-CA 3.48Å; L118-D146 PolarHBondContact O-N 3.07Å
119S98.6Very high97.3Very high1 Ų144.9 Ų44.91%0.00722%0.216CC..EExtended strand (participates in β ladder)trans-123.6124168.9-1800000109.6L93 L95 T96L93-S119 PolarHBondContact O-N 3.23Å; L93-S119 VanDerWaalsContact O-N 3.14Å; L95-S119 CarbonylContact C-O 3.48Å; L95-S119 WeakPolarHBondContact CA-O 3.45Å; L95-S119 WeakPolarHBondContact CB-O 3.43Å; L95-S119 PolarHBondContact N-O 2.85Å; T96-S119 PolarHBondContact OG1-OG 2.86Å
120I98.2Very high97.2Very high0 Ų047.4 Ų47.40%023%0.227CC..  trans-119.611.2175.1-54158.4000109.6L100 L106 L118 N123 V125 T126 Y131 D146L100-I120 HydrophobicContact CD1-CG2 4.2Å; L106-I120 HydrophobicContact CD1-CD1 4.02Å; L106-I120 HydrophobicContact CD2-CD1 3.93Å; L106-I120 HydrophobicContact CD2-CG2 4.43Å; L118-I120 HydrophobicContact CD1-CD1 4.19Å; L118-I120 HydrophobicContact CD1-CG1 3.9Å; L118-I120 HydrophobicContact CD2-CD1 3.79Å; L118-I120 HydrophobicContact CD2-CG1 4.38Å; L118-I120 HydrophobicContact CG-CD1 3.96Å; L118-I120 HydrophobicContact CG-CG1 4Å; I120-N123 HydrophobicContact CG2-CB 3.89Å; I120-N123 WeakPolarHBondContact O-CB 3.48Å; I120-N123 PolarHBondContact O-N 3.44Å; I120-N123 PolarHBondContact O-ND2 3.4Å; I120-V125 HydrophobicContact CG2-CG1 3.68Å; I120-T126 HydrophobicContact CG2-CG2 4.37Å; I120-T126 WeakPolarHBondContact O-CG2 3.11Å; I120-Y131 HydrophobicContact CD1-CE2 4.29Å; I120-D146 PolarHBondContact N-OD1 3.24Å
121L97.9Very high97.2Very high63 Ų6347 Ų4733%0.3322%0.221SC..THydrogen-bonded Turntrans-47.4147.1178.3-73177.8000112.7T96 N97 N123 D146 F147T96-L121 CarbonylContact C-O 3.6Å; T96-L121 VanDerWaalsContact CA-O 3.26Å; T96-L121 WeakPolarHBondContact CA-O 3.26Å; T96-L121 HydrophobicContact CG2-CB 4.08Å; N97-L121 PolarHBondContact N-O 3.23Å; L121-N123 VanDerWaalsContact C-N 3.26Å; L121-N123 PolarHBondContact O-N 2.62Å; L121-N123 PolarHBondContact O-ND2 3.04Å; L121-D146 HydrophobicContact CD1-CB 4.26Å; L121-D146 HydrophobicContact CD2-CB 3.73Å; L121-D146 HydrophobicContact CG-CB 3.74Å; L121-D146 PolarHBondContact N-OD1 2.92Å; L121-F147 HydrophobicContact CD1-CD2 3.65Å; L121-F147 HydrophobicContact CD1-CE2 3.83Å
122R96.6Very high97.2Very high149 Ų14948.1 Ų48.156%0.56222%0.221SC*.THydrogen-bonded Turntrans5834.8-179.1-57.3179.2169.8157.5-0.2113.8N97 E218N97-R122 WeakPolarHBondContact CA-O 3.39Å; N97-R122 HydrophobicContact CB-CB 4.09Å; R122-E218 IonicContact NE-OE2 3.17Å
123N97.7Very high97.2Very high3 Ų349 Ų492%0.01623%0.225CC..SBendtrans-110.1145.9164.1-76.9-99000109.2L95 N98 S99 L100 I120 L121 V125 T126L95-N123 PolarHBondContact O-ND2 3.33Å; N98-N123 VanDerWaalsContact CA-OD1 3.25Å; N98-N123 WeakPolarHBondContact CA-OD1 3.26Å; N98-N123 WeakPolarHBondContact CB-OD1 2.96Å; N98-N123 PolarHBondContact O-OD1 3Å; S99-N123 PolarHBondContact N-OD1 3.36Å; L100-N123 HydrophobicContact CB-CB 4.19Å; L100-N123 WeakPolarHBondContact CB-OD1 3.34Å; L100-N123 PolarHBondContact N-OD1 2.97Å; I120-N123 HydrophobicContact CG2-CB 3.89Å; I120-N123 WeakPolarHBondContact O-CB 3.48Å; I120-N123 PolarHBondContact O-N 3.44Å; I120-N123 PolarHBondContact O-ND2 3.4Å; L121-N123 VanDerWaalsContact C-N 3.26Å; L121-N123 PolarHBondContact O-N 2.62Å; L121-N123 PolarHBondContact O-ND2 3.04Å; N123-V125 HydrophobicContact CB-CG1 3.85Å; N123-V125 PolarHBondContact O-N 2.78Å; N123-T126 HydrophobicContact CB-CG2 4.49Å; N123-T126 PolarHBondContact O-N 3.27Å; N123-T126 PolarHBondContact O-OG1 2.92Å
124P96.3Very high97.3Very high8 Ų841.9 Ų41.95%0.05219%0.194CC..G310 helixtrans-54.1-30177.6-26.933.6000114.8L100 V101 T126 N127L100-P124 VanDerWaalsContact O-CD 3.29Å; L100-P124 WeakPolarHBondContact O-CD 3.47Å; V101-P124 HydrophobicContact CG2-CB 4.32Å; V101-P124 HydrophobicContact CG2-CG 4.36Å; P124-T126 PolarHBondContact O-N 2.88Å; P124-N127 WeakPolarHBondContact O-CB 3.45Å; P124-N127 PolarHBondContact O-N 3.49Å; P124-N127 VanDerWaalsContact O-N 3.13Å
125V96.6Very high97.3Very high0 Ų039.8 Ų39.80%018%0.18CC..G310 helixtrans-57.8-28.6176.270.30000113.4L100 V101 L103 L106 I120 N123 N127 K128 Y131L100-V125 HydrophobicContact CB-CG1 4.03Å; L100-V125 WeakPolarHBondContact O-CB 3.46Å; L100-V125 PolarHBondContact O-N 3.45Å; V101-V125 WeakPolarHBondContact O-CA 3.46Å; V101-V125 WeakPolarHBondContact O-CB 3.46Å; L103-V125 HydrophobicContact CD2-CG2 3.74Å; L103-V125 HydrophobicContact CG-CG2 4.31Å; L106-V125 HydrophobicContact CD1-CG1 4.34Å; L106-V125 HydrophobicContact CD1-CG2 3.92Å; L106-V125 HydrophobicContact CG-CG2 4.41Å; I120-V125 HydrophobicContact CG2-CG1 3.68Å; N123-V125 HydrophobicContact CB-CG1 3.85Å; N123-V125 PolarHBondContact O-N 2.78Å; V125-N127 PolarHBondContact O-N 2.87Å; V125-K128 WeakPolarHBondContact O-CB 3.11Å; V125-K128 PolarHBondContact O-N 3.49Å; V125-Y131 HydrophobicContact CG1-CE2 4.45Å; V125-Y131 HydrophobicContact CG2-CD2 4.35Å
126T96.5Very high97.3Very high38 Ų3840.1 Ų40.123%0.23318%0.182CC..G310 helixtrans-67.7-18.8-179.665.60000112.8I120 N123 P124 K128 Y131I120-T126 HydrophobicContact CG2-CG2 4.37Å; I120-T126 WeakPolarHBondContact O-CG2 3.11Å; N123-T126 HydrophobicContact CB-CG2 4.49Å; N123-T126 PolarHBondContact O-N 3.27Å; N123-T126 PolarHBondContact O-OG1 2.92Å; P124-T126 PolarHBondContact O-N 2.88Å; T126-K128 VanDerWaalsContact C-N 3.34Å; T126-Y131 HydrophobicContact CG2-CE1 4.08Å; T126-Y131 HydrophobicContact CG2-CE2 4.29Å
127N94.8Very high97.2Very high74 Ų7442.7 Ų42.740%0.39619%0.189SC..G310 helixtrans-85.1-6.4176.5-64.6-32.1000113P124 V125P124-N127 WeakPolarHBondContact O-CB 3.45Å; P124-N127 PolarHBondContact O-N 3.49Å; P124-N127 VanDerWaalsContact O-N 3.13Å; V125-N127 PolarHBondContact O-N 2.87Å
128K94.9Very high97.2Very high43 Ų4340.5 Ų40.519%0.18718%0.181CC..SBendtrans-75.9144-179.9-72.3-173.1175.3-101.30111.6V101 E102 L103 V125 T126 H130 Y131V101-K128 WeakPolarHBondContact O-CD 3.38Å; V101-K128 WeakPolarHBondContact O-CE 3.37Å; E102-K128 IonicContact OE1-NZ 2.93Å; E102-K128 PolarHBondContact OE1-NZ 3.39Å; E102-K128 VanDerWaalsContact OE2-CE 3.26Å; E102-K128 WeakPolarHBondContact OE2-CE 3.27Å; E102-K128 IonicContact OE2-NZ 3.42Å; E102-K128 PolarHBondContact OE2-NZ 3.43Å; L103-K128 HydrophobicContact CD1-CB 4.4Å; L103-K128 HydrophobicContact CD2-CB 4.34Å; L103-K128 HydrophobicContact CG-CB 4.23Å; L103-K128 HydrophobicContact CG-CD 4.07Å; V125-K128 WeakPolarHBondContact O-CB 3.11Å; V125-K128 PolarHBondContact O-N 3.49Å; T126-K128 VanDerWaalsContact C-N 3.34Å; K128-H130 PolarHBondContact O-N 2.9Å; K128-Y131 VanDerWaalsContact O-CB 3.32Å; K128-Y131 WeakPolarHBondContact O-CB 3.38Å; K128-Y131 PolarHBondContact O-N 2.99Å; K128-Y131 VanDerWaalsContact O-N 3.16Å
129K94.2Very high97.1Very high166 Ų16640.4 Ų40.472%0.72218%0.181SC*.THydrogen-bonded Turntrans-55.6136.3175.7-161.1-172.2-177.1-175.90109.9Y131K129-Y131 PolarHBondContact O-N 3.43Å
130H95.5Very high97.1Very high54 Ų5443.9 Ų43.925%0.2520%0.203CC..THydrogen-bonded Turntrans63.611.8179.9-48.5-63000116K128 R132 L133 Y134 M161 F162K128-H130 PolarHBondContact O-N 2.9Å; H130-R132 VanDerWaalsContact C-N 3.34Å; H130-R132 PolarHBondContact O-N 3.34Å; H130-L133 PolarHBondContact O-N 3.24Å; H130-Y134 VanDerWaalsContact O-CB 3.28Å; H130-Y134 WeakPolarHBondContact O-CB 3.29Å; H130-Y134 PolarHBondContact O-N 2.83Å; H130-M161 HydrophobicContact CB-SD 4.15Å; H130-M161 PolarHBondContact ND1-SD 3.01Å; H130-F162 HydrophobicContact CB-CZ 4.15Å
131Y97.8Very high97Very high17 Ų1745.7 Ų45.77%0.06721%0.212CC..Hα-helixtrans-42.3-57.1179.4155.9-105.4000113.2L103 L106 I120 V125 T126 K128 K129 L133 Y134 V135 D146L103-Y131 HydrophobicContact CD2-CD2 4.16Å; L106-Y131 HydrophobicContact CD1-CD2 4.33Å; L106-Y131 HydrophobicContact CD1-CE2 4.05Å; I120-Y131 HydrophobicContact CD1-CE2 4.29Å; V125-Y131 HydrophobicContact CG1-CE2 4.45Å; V125-Y131 HydrophobicContact CG2-CD2 4.35Å; T126-Y131 HydrophobicContact CG2-CE1 4.08Å; T126-Y131 HydrophobicContact CG2-CE2 4.29Å; K128-Y131 VanDerWaalsContact O-CB 3.32Å; K128-Y131 WeakPolarHBondContact O-CB 3.38Å; K128-Y131 PolarHBondContact O-N 2.99Å; K128-Y131 VanDerWaalsContact O-N 3.16Å; K129-Y131 PolarHBondContact O-N 3.43Å; Y131-L133 PolarHBondContact O-N 3.01Å; Y131-Y134 WeakPolarHBondContact O-CB 3.28Å; Y131-Y134 PolarHBondContact O-N 3.12Å; Y131-V135 HydrophobicContact CD2-CG2 3.96Å; Y131-V135 HydrophobicContact CE2-CG2 3.62Å; Y131-V135 WeakPolarHBondContact O-CG2 3.45Å; Y131-V135 PolarHBondContact O-N 3.23Å; Y131-D146 VanDerWaalsContact CE1-OD2 3.26Å; Y131-D146 WeakPolarHBondContact CE1-OD2 3.09Å; Y131-D146 PolarHBondContact OH-OD1 3.32Å; Y131-D146 PolarHBondContact OH-OD2 2.85Å
132R98Very high97.1Very high48 Ų4842.9 Ų42.918%0.18120%0.197CC..Hα-helixtrans-61.6-47.6-175.4-174.4170.5177.280.74.2112.4H130 Y134 V135 I136 L145 E154H130-R132 VanDerWaalsContact C-N 3.34Å; H130-R132 PolarHBondContact O-N 3.34Å; R132-Y134 VanDerWaalsContact C-N 3.33Å; R132-Y134 PolarHBondContact O-N 2.78Å; R132-V135 PolarHBondContact O-N 2.7Å; R132-I136 HydrophobicContact CG-CD1 3.91Å; R132-I136 WeakPolarHBondContact O-CD1 3.42Å; R132-I136 VanDerWaalsContact O-CG1 3.22Å; R132-I136 WeakPolarHBondContact O-CG1 3.45Å; R132-I136 PolarHBondContact O-N 3.08Å; R132-L145 HydrophobicContact CG-CD2 4.12Å; R132-L145 PolarHBondContact NH1-O 3.32Å; R132-E154 IonicContact CZ-OE1 3.94Å; R132-E154 IonicContact NE-OE1 3.16Å; R132-E154 PolarHBondContact NE-OE1 2.93Å; R132-E154 IonicContact NH2-OE1 2.74Å; R132-E154 PolarHBondContact NH2-OE1 2.79Å; R132-E154 VanDerWaalsContact NH2-OE1 3.17Å; R132-E154 IonicContact NH2-OE2 3.33Å
133L98Very high97.2Very high20 Ų2043.9 Ų43.911%0.10520%0.201CC..Hα-helixtrans-66.4-37178.7-63.6179.4000111.7H130 Y131 I136 Y137 E154 E157 A158 M161 F162H130-L133 PolarHBondContact O-N 3.24Å; Y131-L133 PolarHBondContact O-N 3.01Å; L133-I136 PolarHBondContact O-N 3.42Å; L133-Y137 WeakPolarHBondContact O-CB 3.4Å; L133-Y137 PolarHBondContact O-N 2.73Å; L133-E154 HydrophobicContact CD2-CB 4.47Å; L133-E157 HydrophobicContact CD1-CG 3.94Å; L133-E157 HydrophobicContact CD2-CB 4.31Å; L133-E157 HydrophobicContact CD2-CG 4.24Å; L133-A158 HydrophobicContact CB-CB 4.12Å; L133-A158 HydrophobicContact CD2-CB 4.17Å; L133-A158 WeakPolarHBondContact O-CB 3.16Å; L133-M161 HydrophobicContact CD1-CE 3.66Å; L133-M161 HydrophobicContact CD1-SD 4.01Å; L133-F162 HydrophobicContact CB-CE2 4.07Å
134Y98.2Very high97.2Very high2 Ų245.4 Ų45.41%0.00821%0.21CC..Hα-helixtrans-62.5-47.7177.4-178.7-91000111.1L103 D107 H130 Y131 R132 Y137 K138 F162 I174 A175L103-Y134 HydrophobicContact CB-CD1 3.89Å; L103-Y134 HydrophobicContact CB-CE1 3.7Å; L103-Y134 HydrophobicContact CB-CG 4.39Å; L103-Y134 HydrophobicContact CD1-CD1 4.45Å; L103-Y134 HydrophobicContact CD1-CD2 4.42Å; L103-Y134 HydrophobicContact CD1-CG 4.19Å; L103-Y134 HydrophobicContact CD2-CD1 3.97Å; L103-Y134 HydrophobicContact CD2-CG 4.31Å; L103-Y134 HydrophobicContact CG-CD1 4.32Å; L103-Y134 WeakPolarHBondContact O-CE1 3.41Å; D107-Y134 PolarHBondContact OD1-OH 2.81Å; H130-Y134 VanDerWaalsContact O-CB 3.28Å; H130-Y134 WeakPolarHBondContact O-CB 3.29Å; H130-Y134 PolarHBondContact O-N 2.83Å; Y131-Y134 WeakPolarHBondContact O-CB 3.28Å; Y131-Y134 PolarHBondContact O-N 3.12Å; R132-Y134 VanDerWaalsContact C-N 3.33Å; R132-Y134 PolarHBondContact O-N 2.78Å; Y134-Y137 PolarHBondContact O-N 3.44Å; Y134-K138 HydrophobicContact CD1-CG 4.16Å; Y134-K138 HydrophobicContact CD2-CG 4.32Å; Y134-K138 HydrophobicContact CE1-CB 4.49Å; Y134-K138 HydrophobicContact CE1-CG 3.8Å; Y134-K138 HydrophobicContact CE2-CG 4.02Å; Y134-K138 HydrophobicContact CG-CG 4.42Å; Y134-K138 WeakPolarHBondContact O-CB 3.43Å; Y134-K138 WeakPolarHBondContact O-CG 3.39Å; Y134-K138 PolarHBondContact O-N 3.04Å; Y134-F162 HydrophobicContact CD2-CE1 4.29Å; Y134-F162 HydrophobicContact CD2-CZ 4.16Å; Y134-I174 HydrophobicContact CD2-CD1 3.75Å; Y134-I174 HydrophobicContact CD2-CG1 4.04Å; Y134-I174 HydrophobicContact CE2-CD1 4.29Å; Y134-I174 HydrophobicContact CE2-CG1 4.06Å; Y134-A175 HydrophobicContact CE2-CB 4.11Å; Y134-A175 WeakPolarHBondContact OH-CB 3.43Å
135V98.3Very high97.3Very high2 Ų245 Ų451%0.01221%0.208CC..Hα-helixtrans-62.2-45175.8177.50000111.1L106 L118 Y131 R132 Y137 K138 V139 L145L106-V135 HydrophobicContact CD1-CG2 3.64Å; L118-V135 HydrophobicContact CD2-CG1 4.12Å; Y131-V135 HydrophobicContact CD2-CG2 3.96Å; Y131-V135 HydrophobicContact CE2-CG2 3.62Å; Y131-V135 WeakPolarHBondContact O-CG2 3.45Å; Y131-V135 PolarHBondContact O-N 3.23Å; R132-V135 PolarHBondContact O-N 2.7Å; V135-Y137 VanDerWaalsContact C-N 3.27Å; V135-Y137 PolarHBondContact O-N 3.03Å; V135-K138 PolarHBondContact O-N 2.88Å; V135-V139 HydrophobicContact CG1-CG2 4.45Å; V135-V139 WeakPolarHBondContact O-CA 3.2Å; V135-V139 WeakPolarHBondContact O-CB 3.28Å; V135-V139 PolarHBondContact O-N 2.92Å; V135-L145 HydrophobicContact CB-CD2 3.88Å; V135-L145 HydrophobicContact CG1-CD1 3.96Å; V135-L145 HydrophobicContact CG1-CD2 3.76Å
136I98.3Very high97.4Very high8 Ų845.8 Ų45.84%0.04121%0.212CC..Hα-helixtrans-59.1-38.9177.5-70.4166.2000111.8R132 L133 L145 V150 E154 R155 A158R132-I136 HydrophobicContact CG-CD1 3.91Å; R132-I136 WeakPolarHBondContact O-CD1 3.42Å; R132-I136 VanDerWaalsContact O-CG1 3.22Å; R132-I136 WeakPolarHBondContact O-CG1 3.45Å; R132-I136 PolarHBondContact O-N 3.08Å; L133-I136 PolarHBondContact O-N 3.42Å; I136-L145 HydrophobicContact CG1-CD2 4.37Å; I136-V150 HydrophobicContact CD1-CG1 3.85Å; I136-V150 HydrophobicContact CD1-CG2 4.36Å; I136-V150 HydrophobicContact CG1-CG1 3.81Å; I136-V150 HydrophobicContact CG1-CG2 4.09Å; I136-V150 HydrophobicContact CG2-CG1 3.95Å; I136-E154 HydrophobicContact CD1-CB 3.87Å; I136-R155 HydrophobicContact CG2-CB 4.44Å; I136-R155 HydrophobicContact CG2-CG 3.89Å; I136-A158 HydrophobicContact CB-CB 4.37Å; I136-A158 HydrophobicContact CG2-CB 4.04Å
137Y97.9Very high97.5Very high84 Ų8450.6 Ų50.633%0.32923%0.23SC..Hα-helixtrans-72.8-46.3178.3-179.2-107.2000112.6L133 Y134 V135 F162L133-Y137 WeakPolarHBondContact O-CB 3.4Å; L133-Y137 PolarHBondContact O-N 2.73Å; Y134-Y137 PolarHBondContact O-N 3.44Å; V135-Y137 VanDerWaalsContact C-N 3.27Å; V135-Y137 PolarHBondContact O-N 3.03Å; Y137-F162 HydrophobicContact CD1-CB 3.41Å; Y137-F162 VanDerWaalsContact CD1-CB 3.41Å; Y137-F162 HydrophobicContact CD1-CD2 4.02Å; Y137-F162 AromaticContact CD1-CG 3.9Å; Y137-F162 HydrophobicContact CD1-CG 3.9Å; Y137-F162 HydrophobicContact CD2-CB 3.84Å; Y137-F162 HydrophobicContact CD2-CD2 4.42Å; Y137-F162 HydrophobicContact CE1-CB 3.39Å; Y137-F162 HydrophobicContact CE1-CG 4.32Å; Y137-F162 HydrophobicContact CE2-CB 3.82Å; Y137-F162 HydrophobicContact CG-CB 3.64Å; Y137-F162 AromaticContact CG-CD2 3.79Å; Y137-F162 HydrophobicContact CG-CD2 3.79Å; Y137-F162 HydrophobicContact CG-CG 4.07Å; Y137-F162 PolarHBondContact OH-O 2.82Å
138K97.4Very high97.6Very high67 Ų6752.6 Ų52.629%0.29124%0.237SC..Hα-helixtrans-78.1-30.7-174.3-71.9-63.3-50.4-148.10113.4D107 A110 Y134 V135 P140D107-K138 WeakPolarHBondContact OD1-CE 3.24Å; D107-K138 IonicContact OD1-NZ 3.78Å; D107-K138 PolarHBondContact OD1-NZ 3.02Å; A110-K138 WeakPolarHBondContact CB-O 3.05Å; Y134-K138 HydrophobicContact CD1-CG 4.16Å; Y134-K138 HydrophobicContact CD2-CG 4.32Å; Y134-K138 HydrophobicContact CE1-CB 4.49Å; Y134-K138 HydrophobicContact CE1-CG 3.8Å; Y134-K138 HydrophobicContact CE2-CG 4.02Å; Y134-K138 HydrophobicContact CG-CG 4.42Å; Y134-K138 WeakPolarHBondContact O-CB 3.43Å; Y134-K138 WeakPolarHBondContact O-CG 3.39Å; Y134-K138 PolarHBondContact O-N 3.04Å; V135-K138 PolarHBondContact O-N 2.88Å; K138-P140 WeakPolarHBondContact O-CD 3.47Å
139V97.7Very high97.8Very high2 Ų258.2 Ų58.21%0.01226%0.261CS..  trans-123.364.3-177.3-162.70000109.4L109 L115 V135 Q141 V142L109-V139 HydrophobicContact CB-CG1 4.34Å; L109-V139 HydrophobicContact CB-CG2 3.97Å; L115-V139 HydrophobicContact CD2-CG1 4.41Å; V135-V139 HydrophobicContact CG1-CG2 4.45Å; V135-V139 WeakPolarHBondContact O-CA 3.2Å; V135-V139 WeakPolarHBondContact O-CB 3.28Å; V135-V139 PolarHBondContact O-N 2.92Å; V139-Q141 VanDerWaalsContact C-OE1 3.29Å; V139-Q141 HydrophobicContact CG1-CG 4.21Å; V139-Q141 PolarHBondContact O-N 2.88Å; V139-Q141 VanDerWaalsContact O-N 3.1Å; V139-V142 HydrophobicContact CB-CG2 4.31Å; V139-V142 HydrophobicContact CG1-CG2 3.64Å; V139-V142 PolarHBondContact O-N 3.45Å
140P97.4Very high98Very high73 Ų7350.8 Ų50.847%0.47423%0.23SC..THydrogen-bonded Turntrans-63.9-20.8-169.226.7-36.5000114.4K138 V142 R155K138-P140 WeakPolarHBondContact O-CD 3.47Å; P140-V142 VanDerWaalsContact C-N 3.28Å; P140-V142 PolarHBondContact O-N 3.35Å; P140-R155 PolarHBondContact O-NH1 2.57Å
141Q97.9Very high98.1Very high39 Ų3954.9 Ų54.918%0.18225%0.247CC..THydrogen-bonded Turntrans-66.3-25.3177.962.7-88.533.600113.8L109 A110 L112 L115 V139 R143L109-Q141 PolarHBondContact O-NE2 3.22Å; A110-Q141 PolarHBondContact O-NE2 3.33Å; L112-Q141 WeakPolarHBondContact O-CG 3.31Å; L112-Q141 PolarHBondContact O-NE2 3.33Å; L115-Q141 HydrophobicContact CB-CG 4.32Å; L115-Q141 CarbonylContact O-C 3.08Å; L115-Q141 WeakPolarHBondContact O-CG 3.44Å; V139-Q141 VanDerWaalsContact C-OE1 3.29Å; V139-Q141 HydrophobicContact CG1-CG 4.21Å; V139-Q141 PolarHBondContact O-N 2.88Å; V139-Q141 VanDerWaalsContact O-N 3.1Å; Q141-R143 PolarHBondContact O-N 3.05Å
142V98.6Very high98.1Very high3 Ų359.7 Ų59.72%0.01827%0.273CS..  trans-64.2129.5-179.91700000110.1L115 L118 V139 P140 V144 L145 R155L115-V142 HydrophobicContact CD2-CG2 4.13Å; L115-V142 HydrophobicContact CG-CG2 4.11Å; L115-V142 PolarHBondContact O-N 2.98Å; L118-V142 HydrophobicContact CB-CG1 4.1Å; L118-V142 HydrophobicContact CB-CG2 4.04Å; L118-V142 HydrophobicContact CD2-CG2 4.07Å; V139-V142 HydrophobicContact CB-CG2 4.31Å; V139-V142 HydrophobicContact CG1-CG2 3.64Å; V139-V142 PolarHBondContact O-N 3.45Å; P140-V142 VanDerWaalsContact C-N 3.28Å; P140-V142 PolarHBondContact O-N 3.35Å; V142-V144 WeakPolarHBondContact CG1-O 3.41Å; V142-L145 HydrophobicContact CG1-CB 4.06Å; V142-R155 PolarHBondContact O-NH2 3.19Å
143R98.6Very high98.1Very high171 Ų17165 Ų6565%0.64530%0.298SS*.SBendtrans-104.5-30.2178.6-62.7-172.5-178.7-174.1-1.1112.7T116 Q141 V150T116-R143 HydrophobicContact CG2-CB 3.9Å; T116-R143 HydrophobicContact CG2-CG 3.94Å; T116-R143 PolarHBondContact O-N 3.17Å; Q141-R143 PolarHBondContact O-N 3.05Å; R143-V150 PolarHBondContact O-N 2.82Å
144V98.8Very high98.2Very high34 Ų3465.6 Ų65.621%0.20630%0.3CS..EExtended strand (participates in β ladder)trans-127.9116.3176.5-177.60000107.9T116 Y117 L118 V142T116-V144 PolarHBondContact O-N 2.9Å; T116-V144 VanDerWaalsContact O-N 3.09Å; Y117-V144 HydrophobicContact CD1-CB 3.7Å; Y117-V144 HydrophobicContact CD1-CG1 4.32Å; Y117-V144 HydrophobicContact CD1-CG2 3.79Å; Y117-V144 HydrophobicContact CE1-CB 4.16Å; Y117-V144 HydrophobicContact CE1-CG2 3.7Å; L118-V144 PolarHBondContact N-O 3.43Å; V142-V144 WeakPolarHBondContact CG1-O 3.41Å
145L98.7Very high98.2Very high0 Ų068.8 Ų68.80%031%0.312CS..EExtended strand (participates in β ladder)trans-116.2123.1178.1176.161.4000108.8L118 R132 V135 I136 V142 F147 Q148 V150L118-L145 HydrophobicContact CB-CD1 4.29Å; L118-L145 HydrophobicContact CD2-CD1 4.09Å; L118-L145 HydrophobicContact CG-CD1 4.05Å; L118-L145 CarbonylContact O-C 3.28Å; L118-L145 WeakPolarHBondContact O-CA 3.48Å; R132-L145 HydrophobicContact CG-CD2 4.12Å; R132-L145 PolarHBondContact NH1-O 3.32Å; V135-L145 HydrophobicContact CB-CD2 3.88Å; V135-L145 HydrophobicContact CG1-CD1 3.96Å; V135-L145 HydrophobicContact CG1-CD2 3.76Å; I136-L145 HydrophobicContact CG1-CD2 4.37Å; V142-L145 HydrophobicContact CG1-CB 4.06Å; L145-F147 VanDerWaalsContact C-N 3.31Å; L145-F147 PolarHBondContact O-N 2.93Å; L145-Q148 PolarHBondContact N-O 3.48Å; L145-Q148 WeakPolarHBondContact O-CB 3.27Å; L145-Q148 PolarHBondContact O-N 3.38Å; L145-Q148 VanDerWaalsContact O-O 3.08Å; L145-V150 HydrophobicContact CB-CG2 3.98Å
146D98.3Very high98.2Very high17 Ų1774.1 Ų74.19%0.09134%0.336CS..THydrogen-bonded Turntrans55.546.2179.8-59.9-39.2000112L118 I120 L121 Y131 Q148L118-D146 PolarHBondContact O-N 3.07Å; I120-D146 PolarHBondContact N-OD1 3.24Å; L121-D146 HydrophobicContact CD1-CB 4.26Å; L121-D146 HydrophobicContact CD2-CB 3.73Å; L121-D146 HydrophobicContact CG-CB 3.74Å; L121-D146 PolarHBondContact N-OD1 2.92Å; Y131-D146 VanDerWaalsContact CE1-OD2 3.26Å; Y131-D146 WeakPolarHBondContact CE1-OD2 3.09Å; Y131-D146 PolarHBondContact OH-OD1 3.32Å; Y131-D146 PolarHBondContact OH-OD2 2.85Å; D146-Q148 PolarHBondContact O-N 3.18Å; D146-Q148 VanDerWaalsContact O-N 3.07Å
147F97.5Very high98.1Very high138 Ų13878.2 Ų78.261%0.60536%0.356SS*.THydrogen-bonded Turntrans59.415.2-175.6-50.1-72.1000114.8L121 L145L121-F147 HydrophobicContact CD1-CD2 3.65Å; L121-F147 HydrophobicContact CD1-CE2 3.83Å; L145-F147 VanDerWaalsContact C-N 3.31Å; L145-F147 PolarHBondContact O-N 2.93Å
148Q98.2Very high98.1Very high116 Ų11674.2 Ų74.254%0.54234%0.34SS..EExtended strand (participates in β ladder)trans-116.9126.9175.7-63.2-176.5-4.800111L145 D146 V150L145-Q148 PolarHBondContact N-O 3.48Å; L145-Q148 WeakPolarHBondContact O-CB 3.27Å; L145-Q148 PolarHBondContact O-N 3.38Å; L145-Q148 VanDerWaalsContact O-O 3.08Å; D146-Q148 PolarHBondContact O-N 3.18Å; D146-Q148 VanDerWaalsContact O-N 3.07Å; Q148-V150 PolarHBondContact O-N 3.02Å
149K98.5Very high98.1Very high161 Ų16175.1 Ų75.170%0.735%0.345SS*.EExtended strand (participates in β ladder)trans-58.3128.8175.2-174.4175.4-177175.50110.6K151K149-K151 PolarHBondContact O-N 2.91Å
150V98.6Very high98.1Very high11 Ų1184 Ų847%0.06738%0.384CS..  trans-74113.3173.4177.80000108.9I136 R143 L145 Q148 R155I136-V150 HydrophobicContact CD1-CG1 3.85Å; I136-V150 HydrophobicContact CD1-CG2 4.36Å; I136-V150 HydrophobicContact CG1-CG1 3.81Å; I136-V150 HydrophobicContact CG1-CG2 4.09Å; I136-V150 HydrophobicContact CG2-CG1 3.95Å; R143-V150 PolarHBondContact O-N 2.82Å; L145-V150 HydrophobicContact CB-CG2 3.98Å; Q148-V150 PolarHBondContact O-N 3.02Å; V150-R155 HydrophobicContact CG1-CG 3.9Å
151K98.3Very high98Very high139 Ų13982.9 Ų82.960%0.60437%0.372SS*.  trans-85.4155.7-178.6-60.4177.7-176.5176.40111.3K149 K153 E154 R155K149-K151 PolarHBondContact O-N 2.91Å; K151-K153 VanDerWaalsContact C-N 3.27Å; K151-K153 PolarHBondContact O-N 3.34Å; K151-E154 HydrophobicContact CB-CG 4.38Å; K151-E154 WeakPolarHBondContact CB-OE2 3.2Å; K151-E154 PolarHBondContact N-OE2 2.82Å; K151-E154 PolarHBondContact O-N 2.82Å; K151-E154 VanDerWaalsContact O-N 3.15Å; K151-R155 PolarHBondContact O-N 3.35Å
152L97.9Very high98Very high119 Ų11981 Ų8162%0.62336%0.364SS*.Hα-helixtrans-58.2-39177-178.861000112.5E154 R155 Q156L152-E154 VanDerWaalsContact C-N 3.3Å; L152-E154 PolarHBondContact O-N 2.86Å; L152-R155 WeakPolarHBondContact O-CB 3.2Å; L152-R155 PolarHBondContact O-N 2.67Å; L152-R155 VanDerWaalsContact O-N 3.12Å; L152-Q156 WeakPolarHBondContact O-CG 3.2Å; L152-Q156 PolarHBondContact O-N 3.03Å
153K98.2Very high97.7Very high160 Ų16086.9 Ų86.970%0.69639%0.389SS*.Hα-helixtrans-56.1-43.8176.3-175.3-179.2177.8-177.30112.1K151 R155 Q156 E157K151-K153 VanDerWaalsContact C-N 3.27Å; K151-K153 PolarHBondContact O-N 3.34Å; K153-R155 VanDerWaalsContact C-N 3.34Å; K153-Q156 PolarHBondContact O-N 3.16Å; K153-E157 WeakPolarHBondContact O-CB 3.46Å; K153-E157 PolarHBondContact O-N 3Å
154E98.2Very high97.5Very high32 Ų3281.1 Ų81.115%0.1538%0.383CS..Hα-helixtrans-67.5-36.4178.9-60.1171.887.300111.2R132 L133 I136 K151 L152 E157 A158R132-E154 IonicContact CZ-OE1 3.94Å; R132-E154 IonicContact NE-OE1 3.16Å; R132-E154 PolarHBondContact NE-OE1 2.93Å; R132-E154 IonicContact NH2-OE1 2.74Å; R132-E154 PolarHBondContact NH2-OE1 2.79Å; R132-E154 VanDerWaalsContact NH2-OE1 3.17Å; R132-E154 IonicContact NH2-OE2 3.33Å; L133-E154 HydrophobicContact CD2-CB 4.47Å; I136-E154 HydrophobicContact CD1-CB 3.87Å; K151-E154 HydrophobicContact CB-CG 4.38Å; K151-E154 WeakPolarHBondContact CB-OE2 3.2Å; K151-E154 PolarHBondContact N-OE2 2.82Å; K151-E154 PolarHBondContact O-N 2.82Å; K151-E154 VanDerWaalsContact O-N 3.15Å; L152-E154 VanDerWaalsContact C-N 3.3Å; L152-E154 PolarHBondContact O-N 2.86Å; E154-E157 PolarHBondContact O-N 3.14Å; E154-A158 VanDerWaalsContact O-CB 3.26Å; E154-A158 WeakPolarHBondContact O-CB 3.22Å; E154-A158 PolarHBondContact O-N 3.41Å
155R98.3Very high97.3Very high69 Ų6989 Ų8926%0.2641%0.414SS..Hα-helixtrans-62.9-45.5175-64-176.3-177.2-79.7-0.2111.8I136 P140 V142 V150 K151 L152 K153 E157 A158 E159I136-R155 HydrophobicContact CG2-CB 4.44Å; I136-R155 HydrophobicContact CG2-CG 3.89Å; P140-R155 PolarHBondContact O-NH1 2.57Å; V142-R155 PolarHBondContact O-NH2 3.19Å; V150-R155 HydrophobicContact CG1-CG 3.9Å; K151-R155 PolarHBondContact O-N 3.35Å; L152-R155 WeakPolarHBondContact O-CB 3.2Å; L152-R155 PolarHBondContact O-N 2.67Å; L152-R155 VanDerWaalsContact O-N 3.12Å; K153-R155 VanDerWaalsContact C-N 3.34Å; R155-E157 VanDerWaalsContact C-N 3.33Å; R155-A158 PolarHBondContact O-N 3.19Å; R155-E159 WeakPolarHBondContact O-CB 3.4Å; R155-E159 PolarHBondContact O-N 2.76Å
156Q98.1Very high97.1Very high113 Ų113100.2 Ų100.253%0.52846%0.456SS..Hα-helixtrans-64.2-39.5177.3-68.9170.9-1900111.7L152 K153 E159 K160L152-Q156 WeakPolarHBondContact O-CG 3.2Å; L152-Q156 PolarHBondContact O-N 3.03Å; K153-Q156 PolarHBondContact O-N 3.16Å; Q156-E159 PolarHBondContact O-N 2.77Å; Q156-K160 WeakPolarHBondContact O-CB 3.26Å; Q156-K160 PolarHBondContact O-N 3.1Å
157E97.9Very high96.9Very high95 Ų9599.7 Ų99.744%0.44446%0.455SS..Hα-helixtrans-64.6-46.9175.7-174179.3174.100111.8L133 K153 E154 R155 E159 K160 M161L133-E157 HydrophobicContact CD1-CG 3.94Å; L133-E157 HydrophobicContact CD2-CB 4.31Å; L133-E157 HydrophobicContact CD2-CG 4.24Å; K153-E157 WeakPolarHBondContact O-CB 3.46Å; K153-E157 PolarHBondContact O-N 3Å; E154-E157 PolarHBondContact O-N 3.14Å; R155-E157 VanDerWaalsContact C-N 3.33Å; E157-E159 VanDerWaalsContact C-N 3.35Å; E157-E159 PolarHBondContact O-N 2.98Å; E157-K160 PolarHBondContact O-N 2.97Å; E157-M161 WeakPolarHBondContact O-CB 3.11Å; E157-M161 PolarHBondContact O-N 3.45Å
158A97.9Very high96.6Very high0 Ų095.7 Ų95.70%045%0.448CS..Hα-helixtrans-61.4-42.8176.100000111.5L133 I136 E154 R155 M161 F162L133-A158 HydrophobicContact CB-CB 4.12Å; L133-A158 HydrophobicContact CD2-CB 4.17Å; L133-A158 WeakPolarHBondContact O-CB 3.16Å; I136-A158 HydrophobicContact CB-CB 4.37Å; I136-A158 HydrophobicContact CG2-CB 4.04Å; E154-A158 VanDerWaalsContact O-CB 3.26Å; E154-A158 WeakPolarHBondContact O-CB 3.22Å; E154-A158 PolarHBondContact O-N 3.41Å; R155-A158 PolarHBondContact O-N 3.19Å; A158-M161 PolarHBondContact O-N 3.09Å; A158-F162 VanDerWaalsContact O-CD2 3.28Å; A158-F162 WeakPolarHBondContact O-CD2 3.17Å; A158-F162 PolarHBondContact O-N 3.01Å
159E97.2Very high96.4Very high85 Ų8594.8 Ų94.840%0.39744%0.443SS..Hα-helixtrans-61.7-47.5174.7-172.5176.7-173.700111.5R155 Q156 E157 M161 F162 K163R155-E159 WeakPolarHBondContact O-CB 3.4Å; R155-E159 PolarHBondContact O-N 2.76Å; Q156-E159 PolarHBondContact O-N 2.77Å; E157-E159 VanDerWaalsContact C-N 3.35Å; E157-E159 PolarHBondContact O-N 2.98Å; E159-M161 PolarHBondContact O-N 2.85Å; E159-F162 PolarHBondContact O-N 3.19Å; E159-K163 HydrophobicContact CG-CB 4.19Å; E159-K163 HydrophobicContact CG-CD 3.67Å; E159-K163 WeakPolarHBondContact O-CB 3.24Å; E159-K163 PolarHBondContact O-N 3.01Å; E159-K163 WeakPolarHBondContact OE1-CD 3.34Å; E159-K163 IonicContact OE1-NZ 3.73Å; E159-K163 PolarHBondContact OE1-NZ 3.42Å
160K96.7Very high96.2Very high190 Ų19090.1 Ų90.183%0.82643%0.426SS*.Hα-helixtrans-59.3-36.6176.8-176.3-179.2178.1-177.30112.3Q156 E157Q156-K160 WeakPolarHBondContact O-CB 3.26Å; Q156-K160 PolarHBondContact O-N 3.1Å; E157-K160 PolarHBondContact O-N 2.97Å
161M96.6Very high95.9Very high48 Ų4890.1 Ų90.124%0.23643%0.427CS..Hα-helixtrans-73.9-42.2-177.6-175.1172-69.400113H130 L133 E157 A158 E159 G167 L170H130-M161 HydrophobicContact CB-SD 4.15Å; H130-M161 PolarHBondContact ND1-SD 3.01Å; L133-M161 HydrophobicContact CD1-CE 3.66Å; L133-M161 HydrophobicContact CD1-SD 4.01Å; E157-M161 WeakPolarHBondContact O-CB 3.11Å; E157-M161 PolarHBondContact O-N 3.45Å; A158-M161 PolarHBondContact O-N 3.09Å; E159-M161 PolarHBondContact O-N 2.85Å; M161-G167 VanDerWaalsContact O-CA 3.29Å; M161-G167 WeakPolarHBondContact O-CA 3.28Å; M161-L170 HydrophobicContact CG-CD2 4.03Å
162F96.6Very high95.6Very high0 Ų090.7 Ų90.70%043%0.43CS..Hα-helixtrans-109.7-10.1-168.9-61.2-63.8000114.9H130 L133 Y134 Y137 A158 E159 G167 A168 L170 A171 I174H130-F162 HydrophobicContact CB-CZ 4.15Å; L133-F162 HydrophobicContact CB-CE2 4.07Å; Y134-F162 HydrophobicContact CD2-CE1 4.29Å; Y134-F162 HydrophobicContact CD2-CZ 4.16Å; Y137-F162 HydrophobicContact CD1-CB 3.41Å; Y137-F162 VanDerWaalsContact CD1-CB 3.41Å; Y137-F162 HydrophobicContact CD1-CD2 4.02Å; Y137-F162 AromaticContact CD1-CG 3.9Å; Y137-F162 HydrophobicContact CD1-CG 3.9Å; Y137-F162 HydrophobicContact CD2-CB 3.84Å; Y137-F162 HydrophobicContact CD2-CD2 4.42Å; Y137-F162 HydrophobicContact CE1-CB 3.39Å; Y137-F162 HydrophobicContact CE1-CG 4.32Å; Y137-F162 HydrophobicContact CE2-CB 3.82Å; Y137-F162 HydrophobicContact CG-CB 3.64Å; Y137-F162 AromaticContact CG-CD2 3.79Å; Y137-F162 HydrophobicContact CG-CD2 3.79Å; Y137-F162 HydrophobicContact CG-CG 4.07Å; Y137-F162 PolarHBondContact OH-O 2.82Å; A158-F162 VanDerWaalsContact O-CD2 3.28Å; A158-F162 WeakPolarHBondContact O-CD2 3.17Å; A158-F162 PolarHBondContact O-N 3.01Å; E159-F162 PolarHBondContact O-N 3.19Å; F162-G167 CarbonylContact O-C 3.01Å; F162-G167 WeakPolarHBondContact O-CA 3.34Å; F162-A168 PolarHBondContact O-N 2.95Å; F162-L170 HydrophobicContact CD1-CD2 4.45Å; F162-L170 HydrophobicContact CE1-CD2 4.17Å; F162-L170 HydrophobicContact CE1-CG 4.27Å; F162-A171 HydrophobicContact CD1-CB 3.9Å; F162-I174 HydrophobicContact CE1-CD1 3.62Å; F162-I174 HydrophobicContact CZ-CD1 3.93Å
163K93.1Very high95.4Very high127 Ų12789 Ų8955%0.55242%0.421SS*.SBendtrans-77.9155.8175.5-165.9172.7-175177.50112E159E159-K163 HydrophobicContact CG-CB 4.19Å; E159-K163 HydrophobicContact CG-CD 3.67Å; E159-K163 WeakPolarHBondContact O-CB 3.24Å; E159-K163 PolarHBondContact O-N 3.01Å; E159-K163 WeakPolarHBondContact OE1-CD 3.34Å; E159-K163 IonicContact OE1-NZ 3.73Å; E159-K163 PolarHBondContact OE1-NZ 3.42Å
164G94.8Very high95.1Very high49 Ų4983.2 Ų83.251%0.50540%0.398SS..Hα-helixtrans78175.5179.900000113.5R166 G167 A168G164-R166 PolarHBondContact O-N 2.7Å; G164-G167 PolarHBondContact O-N 3.24Å; G164-A168 WeakPolarHBondContact O-CB 3.16Å; G164-A168 PolarHBondContact O-N 2.84Å
165K94.4Very high94.7Very high200 Ų20082.7 Ų82.787%0.8740%0.399SS*.Hα-helixtrans-59.1-45.6-173.4-66.2-175.5178.7-177.90112.9Q169K165-Q169 PolarHBondContact O-N 2.82Å; K165-Q169 VanDerWaalsContact O-N 3.09Å
166R92.9Very high94.2Very high235 Ų23586.4 Ų86.489%0.88741%0.413SS*.Hα-helixtrans-66.7-43.5178.9-69.2-175.6-178.1157.10.1112.2G164 Q169 L170G164-R166 PolarHBondContact O-N 2.7Å; R166-Q169 PolarHBondContact O-N 3.33Å; R166-L170 PolarHBondContact O-N 2.89Å
167G94.3Very high93.5Very high6 Ų686.8 Ų86.86%0.06241%0.409CS..Hα-helixtrans-66.1-38.4178.200000112.8M161 F162 G164 L170 A171M161-G167 VanDerWaalsContact O-CA 3.29Å; M161-G167 WeakPolarHBondContact O-CA 3.28Å; F162-G167 CarbonylContact O-C 3.01Å; F162-G167 WeakPolarHBondContact O-CA 3.34Å; G164-G167 PolarHBondContact O-N 3.24Å; G167-L170 PolarHBondContact O-N 2.99Å; G167-A171 WeakPolarHBondContact O-CB 3.36Å; G167-A171 PolarHBondContact O-N 3.41Å
168A92.7Very high92.8Very high55 Ų5583.4 Ų83.446%0.45540%0.396SS..Hα-helixtrans-65.1-39.7174.700000112.1F162 G164 A171 K172F162-A168 PolarHBondContact O-N 2.95Å; G164-A168 WeakPolarHBondContact O-CB 3.16Å; G164-A168 PolarHBondContact O-N 2.84Å; A168-A171 PolarHBondContact O-N 3.29Å; A168-K172 WeakPolarHBondContact O-CB 3.29Å; A168-K172 PolarHBondContact O-N 3.21Å
169Q93.7Very high91.7Very high96 Ų9693.6 Ų93.645%0.44944%0.441SS..Hα-helixtrans-64-46.9173.5-173.459.544.600111.1K165 R166 A171 K172 D173K165-Q169 PolarHBondContact O-N 2.82Å; K165-Q169 VanDerWaalsContact O-N 3.09Å; R166-Q169 PolarHBondContact O-N 3.33Å; Q169-A171 VanDerWaalsContact C-N 3.33Å; Q169-A171 PolarHBondContact O-N 3.13Å; Q169-K172 WeakPolarHBondContact O-CB 3.41Å; Q169-K172 PolarHBondContact O-N 3.11Å; Q169-K172 VanDerWaalsContact O-N 3.11Å; Q169-D173 PolarHBondContact NE2-OD1 2.96Å; Q169-D173 PolarHBondContact O-N 3.12Å
170L93.5Very high90.2Very high63 Ų6392.2 Ų92.233%0.3344%0.438SS..Hα-helixtrans-57.2-46.417517664000111.6M161 F162 R166 G167 K172 D173 I174M161-L170 HydrophobicContact CG-CD2 4.03Å; F162-L170 HydrophobicContact CD1-CD2 4.45Å; F162-L170 HydrophobicContact CE1-CD2 4.17Å; F162-L170 HydrophobicContact CE1-CG 4.27Å; R166-L170 PolarHBondContact O-N 2.89Å; G167-L170 PolarHBondContact O-N 2.99Å; L170-K172 VanDerWaalsContact C-N 3.31Å; L170-K172 PolarHBondContact O-N 3.24Å; L170-D173 PolarHBondContact O-N 3.18Å; L170-I174 HydrophobicContact CD1-CG2 4.13Å; L170-I174 WeakPolarHBondContact O-CG1 3.48Å; L170-I174 PolarHBondContact O-N 3.46Å; L170-I174 VanDerWaalsContact O-N 3.1Å
171A93.2Very high88.3Confident12 Ų1289.4 Ų89.410%0.09943%0.426CS..Hα-helixtrans-57.1-46.2176.300000110.5F162 G167 A168 Q169 D173 I174 A175F162-A171 HydrophobicContact CD1-CB 3.9Å; G167-A171 WeakPolarHBondContact O-CB 3.36Å; G167-A171 PolarHBondContact O-N 3.41Å; A168-A171 PolarHBondContact O-N 3.29Å; Q169-A171 VanDerWaalsContact C-N 3.33Å; Q169-A171 PolarHBondContact O-N 3.13Å; A171-D173 PolarHBondContact O-N 3.12Å; A171-I174 WeakPolarHBondContact O-CG1 3.47Å; A171-I174 PolarHBondContact O-N 2.76Å; A171-A175 WeakPolarHBondContact O-CA 3.3Å; A171-A175 WeakPolarHBondContact O-CB 3.39Å; A171-A175 PolarHBondContact O-N 2.86Å
172K92.5Very high86.3Confident151 Ų15191.3 Ų91.366%0.65744%0.437SS*.Hα-helixtrans-62.2-40.5177.2-172-179.7179.3-177.30112.8A168 Q169 L170 I174A168-K172 WeakPolarHBondContact O-CB 3.29Å; A168-K172 PolarHBondContact O-N 3.21Å; Q169-K172 WeakPolarHBondContact O-CB 3.41Å; Q169-K172 PolarHBondContact O-N 3.11Å; Q169-K172 VanDerWaalsContact O-N 3.11Å; L170-K172 VanDerWaalsContact C-N 3.31Å; L170-K172 PolarHBondContact O-N 3.24Å; K172-I174 VanDerWaalsContact C-N 3.35Å; K172-I174 PolarHBondContact O-N 3.04Å
173D92.4Very high84.2Confident82 Ų8296.7 Ų96.744%0.43947%0.472SS..Hα-helixtrans-68-35.2-177.6-66.4-21.6000112.3Q169 L170 A171 R176Q169-D173 PolarHBondContact NE2-OD1 2.96Å; Q169-D173 PolarHBondContact O-N 3.12Å; L170-D173 PolarHBondContact O-N 3.18Å; A171-D173 PolarHBondContact O-N 3.12Å; D173-R176 PolarHBondContact O-NE 2.85Å
174I92.3Very high82.3Confident40 Ų4094.7 Ų94.721%0.20549%0.487CS..Hα-helixtrans-91.2-22.9178.373.8179.4000113.2L103 Y134 F162 L170 A171 K172 R176L103-I174 HydrophobicContact CD1-CB 4.03Å; L103-I174 HydrophobicContact CD1-CD1 3.86Å; L103-I174 HydrophobicContact CD1-CG1 3.89Å; Y134-I174 HydrophobicContact CD2-CD1 3.75Å; Y134-I174 HydrophobicContact CD2-CG1 4.04Å; Y134-I174 HydrophobicContact CE2-CD1 4.29Å; Y134-I174 HydrophobicContact CE2-CG1 4.06Å; F162-I174 HydrophobicContact CE1-CD1 3.62Å; F162-I174 HydrophobicContact CZ-CD1 3.93Å; L170-I174 HydrophobicContact CD1-CG2 4.13Å; L170-I174 WeakPolarHBondContact O-CG1 3.48Å; L170-I174 PolarHBondContact O-N 3.46Å; L170-I174 VanDerWaalsContact O-N 3.1Å; A171-I174 WeakPolarHBondContact O-CG1 3.47Å; A171-I174 PolarHBondContact O-N 2.76Å; K172-I174 VanDerWaalsContact C-N 3.35Å; K172-I174 PolarHBondContact O-N 3.04Å; I174-R176 PolarHBondContact O-N 2.83Å
175A89.6Confident80.3Confident21 Ų2195.2 Ų95.217%0.17449%0.487CS..  trans-75.235.7177.100000113.2Y134 A171Y134-A175 HydrophobicContact CE2-CB 4.11Å; Y134-A175 WeakPolarHBondContact OH-CB 3.43Å; A171-A175 WeakPolarHBondContact O-CA 3.3Å; A171-A175 WeakPolarHBondContact O-CB 3.39Å; A171-A175 PolarHBondContact O-N 2.86Å
176R88.4Confident78.2Confident146 Ų14689.1 Ų89.155%0.55148%0.481SS*.  trans-58.2147.5171.2-63.2-176.6-177.6-174.4-0.9108E102 G104 D173 I174E102-R176 WeakPolarHBondContact CB-O 3.41Å; G104-R176 VanDerWaalsContact CA-O 3.32Å; G104-R176 WeakPolarHBondContact CA-O 3.4Å; G104-R176 PolarHBondContact N-O 2.78Å; D173-R176 PolarHBondContact O-NE 2.85Å; I174-R176 PolarHBondContact O-N 2.83Å
177R82.9Confident76.2Confident121 Ų12184.6 Ų84.646%0.45747%0.474SS..  trans-106.5148.7170.7-75.4-173.2175.6-167.70.9109.1E81 G104 D105 K179E81-R177 IonicContact OE1-CZ 2.64Å; E81-R177 VanDerWaalsContact OE1-CZ 3.23Å; E81-R177 IonicContact OE1-NH1 2.85Å; E81-R177 PolarHBondContact OE1-NH1 2.79Å; E81-R177 IonicContact OE1-NH2 3.38Å; E81-R177 PolarHBondContact OE1-NH2 3.37Å; G104-R177 WeakPolarHBondContact O-CG 3.29Å; G104-R177 PolarHBondContact O-NE 3.3Å; D105-R177 WeakPolarHBondContact OD1-CA 3.39Å; R177-K179 PolarHBondContact O-N 3.17Å
178S82.4Confident74.3Confident25 Ų2590 Ų9018%0.17551%0.507CS..  trans-62122177-69.30000110.2D105 T180D105-S178 PolarHBondContact OD1-N 3.24Å; D105-S178 WeakPolarHBondContact OD2-CB 3.32Å; D105-S178 PolarHBondContact OD2-OG 2.95Å; S178-T180 PolarHBondContact O-N 2.93Å; S178-T180 PolarHBondContact O-OG1 3.09Å; S178-T180 VanDerWaalsContact O-OG1 3.08Å
179K76.3Confident72.2Confident214 Ų21493 Ų9393%0.9352%0.52SS*.  trans-70.9101.4169.3-67.5-173.8-178.1-174.70108.1R177R177-K179 PolarHBondContact O-N 3.17Å
180T64.1Low70.2Confident56 Ų5695.3 Ų95.334%0.34454%0.536SS..  trans-120.8151.1178.36.40000108.3R78 S178 N182R78-T180 VanDerWaalsContact NE-CB 3.32Å; R78-T180 PolarHBondContact NE-OG1 2.75Å; R78-T180 VanDerWaalsContact NH2-CA 3.28Å; R78-T180 PolarHBondContact NH2-O 3.42Å; R78-T180 PolarHBondContact NH2-OG1 2.95Å; S178-T180 PolarHBondContact O-N 2.93Å; S178-T180 PolarHBondContact O-OG1 3.09Å; S178-T180 VanDerWaalsContact O-OG1 3.08Å; T180-N182 PolarHBondContact O-N 2.74Å
181F57.5Low68.1Low131 Ų131101.3 Ų101.358%0.57556%0.559SS**  trans-58.3125.1-177.6-180-103000110.2R78 P183 L187R78-F181 PolarHBondContact NH1-O 2.92Å; F181-P183 HydrophobicContact CD1-CG 4.08Å; F181-P183 HydrophobicContact CE1-CB 4.01Å; F181-P183 HydrophobicContact CE1-CG 3.86Å; F181-L187 HydrophobicContact CE2-CD2 4.25Å
182N54.3Low65.9Low88 Ų88111 Ų11147%0.47160%0.599SS.*  trans-101.9112166.9-75.3-4000106.5R78 T180 G184 A185R78-N182 PolarHBondContact NH1-OD1 2.94Å; R78-N182 PolarHBondContact NH2-OD1 2.95Å; T180-N182 PolarHBondContact O-N 2.74Å; N182-G184 PolarHBondContact O-N 2.83Å; N182-A185 HydrophobicContact CB-CB 4.31Å; N182-A185 WeakPolarHBondContact O-CB 3.48Å; N182-A185 PolarHBondContact O-N 3.15Å
183P52.3Low64.2Low112 Ų112113.6 Ų113.673%0.72761%0.61SS**THydrogen-bonded Turntrans-52.6124.7175-23.132.1000110.2F181F181-P183 HydrophobicContact CD1-CG 4.08Å; F181-P183 HydrophobicContact CE1-CB 4.01Å; F181-P183 HydrophobicContact CE1-CG 3.86Å
184G53.5Low62.8Low85 Ų85112.9 Ų112.988%0.87662%0.623SS**THydrogen-bonded Turntrans100.4-13.9-176.700000115.5N182N182-G184 PolarHBondContact O-N 2.83Å
185A53.7Low61.9Low60 Ų60114.2 Ų114.250%0.49665%0.646SS.*SBendtrans-76.5133.1164.700000109.2N182 L187N182-A185 HydrophobicContact CB-CB 4.31Å; N182-A185 WeakPolarHBondContact O-CB 3.48Å; N182-A185 PolarHBondContact O-N 3.15Å; A185-L187 PolarHBondContact O-N 3.18Å
186G48.7Very low61.5Low72 Ų72116.6 Ų116.674%0.74266%0.66SS**PPolyproline II helixtrans-49131.517700000111.3P188G186-P188 WeakPolarHBondContact O-CD 3.4Å
187L51.2Low61.3Low141 Ų141112 Ų11274%0.73865%0.65SS**PPolyproline II helixtrans-56.3125.8174.8-79.2151.2000108.2F181 A185 T189F181-L187 HydrophobicContact CE2-CD2 4.25Å; A185-L187 PolarHBondContact O-N 3.18Å; L187-T189 PolarHBondContact O-N 3.37Å
188P55Low61.5Low118 Ų118111.8 Ų111.877%0.76666%0.664SS**  trans-60.4115.2168.1-15.627.9000107.9G186G186-P188 WeakPolarHBondContact O-CD 3.4Å
189T49.6Very low61.8Low119 Ų119113 Ų11373%0.7368%0.681SS**  trans-66.4138.1160.251.20000107.1L187L187-T189 PolarHBondContact O-N 3.37Å
190D50.2Low62.3Low144 Ų144103.8 Ų103.877%0.7764%0.642SS**  trans80.994.3171.8-52.2-44.6000119.2
191K49.1Very low63.4Low190 Ų190103.6 Ų103.683%0.82664%0.641SS**  177.9126.787.5-86.5-177.4-176.9179.70105.4K193K191-K193 PolarHBondContact O-N 2.83Å
192K48.2Very low65Low214 Ų214101.7 Ų101.793%0.9363%0.634SS**  trans-51.5105.7166-80.8179.9178.3175.30106.6G194K192-G194 VanDerWaalsContact C-N 3.31Å; K192-G194 PolarHBondContact O-N 2.78Å
193K57Low66.7Low206 Ų20699.1 Ų99.190%0.89662%0.624SS**  trans-65.199.3173.1-75.4-176.5179.2177.30106K191K191-K193 PolarHBondContact O-N 2.83Å
194G63.2Low68.4Low68 Ų6895.1 Ų95.170%0.70160%0.597SS**PPolyproline II helixtrans-56.8151.3168.200000109.4K192K192-G194 VanDerWaalsContact C-N 3.31Å; K192-G194 PolarHBondContact O-N 2.78Å
195G73.5Confident70.2Confident67 Ų6797 Ų9769%0.69158%0.58SS**PPolyproline II helixtrans-57.6173.9171.700000112.4S197G195-S197 PolarHBondContact O-N 2.57Å
196P79.6Confident72Confident72 Ų7297.8 Ų97.847%0.46858%0.576SS.*PPolyproline II helixtrans-51.8141.5174.820-30000111D200 V201 I204 I229P196-D200 HydrophobicContact CB-CB 3.65Å; P196-V201 HydrophobicContact CB-CG2 4.04Å; P196-V201 HydrophobicContact CG-CG2 3.84Å; P196-I204 HydrophobicContact CB-CD1 4.44Å; P196-I229 HydrophobicContact CB-CD1 4.4Å
197S85.4Confident74Confident49 Ų4995.3 Ų95.334%0.34355%0.549SS..PPolyproline II helixtrans-62160.3175.567.50000110.6G195 G199 D200 V201G195-S197 PolarHBondContact O-N 2.57Å; S197-G199 PolarHBondContact O-N 2.69Å; S197-G199 VanDerWaalsContact O-N 3.15Å; S197-D200 WeakPolarHBondContact CB-OD2 3.4Å; S197-D200 PolarHBondContact N-OD2 3.07Å; S197-D200 WeakPolarHBondContact O-CA 3.37Å; S197-D200 WeakPolarHBondContact O-CB 3.4Å; S197-D200 PolarHBondContact O-N 3.17Å; S197-D200 PolarHBondContact OG-N 2.62Å; S197-D200 PolarHBondContact OG-OD2 3.04Å; S197-V201 WeakPolarHBondContact O-CG2 3.49Å; S197-V201 PolarHBondContact O-N 2.91Å
198P87.5Confident75.8Confident117 Ų11792.8 Ų92.876%0.7654%0.535SS*.Hα-helixtrans-52.3-38.1176.4-28.135.5000113.3V201 E202P198-V201 PolarHBondContact O-N 3.49Å; P198-E202 PolarHBondContact O-N 3.12Å
199G87.7Confident77.5Confident51 Ų5191 Ų9153%0.52653%0.53SS..Hα-helixtrans-68-36.6174.400000113.5S197 E202 A203S197-G199 PolarHBondContact O-N 2.69Å; S197-G199 VanDerWaalsContact O-N 3.15Å; G199-E202 PolarHBondContact O-N 2.77Å; G199-A203 WeakPolarHBondContact O-CB 3.46Å; G199-A203 PolarHBondContact O-N 2.9Å
200D86.8Confident79.6Confident19 Ų1991.7 Ų91.710%0.10253%0.53CS..Hα-helixtrans-66.1-41.7173.1-63.4-47.2000110.8P196 S197 E202 A203 I204 I229 R232P196-D200 HydrophobicContact CB-CB 3.65Å; S197-D200 WeakPolarHBondContact CB-OD2 3.4Å; S197-D200 PolarHBondContact N-OD2 3.07Å; S197-D200 WeakPolarHBondContact O-CA 3.37Å; S197-D200 WeakPolarHBondContact O-CB 3.4Å; S197-D200 PolarHBondContact O-N 3.17Å; S197-D200 PolarHBondContact OG-N 2.62Å; S197-D200 PolarHBondContact OG-OD2 3.04Å; D200-E202 VanDerWaalsContact C-N 3.29Å; D200-E202 PolarHBondContact O-N 3.06Å; D200-A203 PolarHBondContact O-N 3.27Å; D200-I204 WeakPolarHBondContact O-CD1 3.4Å; D200-I204 WeakPolarHBondContact O-CG1 3.29Å; D200-I204 PolarHBondContact O-N 2.82Å; D200-I229 HydrophobicContact CB-CD1 4.01Å; D200-I229 HydrophobicContact CB-CG1 4.02Å; D200-I229 HydrophobicContact CB-CG2 3.91Å; D200-R232 VanDerWaalsContact CG-NH1 3.32Å; D200-R232 WeakPolarHBondContact OD1-CD 3.3Å; D200-R232 IonicContact OD1-CZ 2.7Å; D200-R232 IonicContact OD1-NE 2.82Å; D200-R232 IonicContact OD1-NH1 3.23Å; D200-R232 PolarHBondContact OD1-NH1 3.22Å; D200-R232 IonicContact OD2-NH1 2.67Å; D200-R232 PolarHBondContact OD2-NH1 3.14Å; D200-R232 VanDerWaalsContact OD2-NH1 3.14Å
201V87.5Confident81.5Confident53 Ų5385.9 Ų85.932%0.32150%0.502SS..Hα-helixtrans-59.9-42.3175.5174.70000110.7P196 S197 P198 I204 K205P196-V201 HydrophobicContact CB-CG2 4.04Å; P196-V201 HydrophobicContact CG-CG2 3.84Å; S197-V201 WeakPolarHBondContact O-CG2 3.49Å; S197-V201 PolarHBondContact O-N 2.91Å; P198-V201 PolarHBondContact O-N 3.49Å; V201-I204 PolarHBondContact O-N 3.17Å; V201-K205 HydrophobicContact CG1-CD 4.32Å; V201-K205 WeakPolarHBondContact O-CG 3.43Å; V201-K205 PolarHBondContact O-N 2.97Å
202E90.1Very high83.6Confident91 Ų9182.3 Ų82.343%0.42550%0.501SS..Hα-helixtrans-67.4-41.5177.8-16757.1-154.400112.2P198 G199 D200 I204 K205 N206P198-E202 PolarHBondContact O-N 3.12Å; G199-E202 PolarHBondContact O-N 2.77Å; D200-E202 VanDerWaalsContact C-N 3.29Å; D200-E202 PolarHBondContact O-N 3.06Å; E202-I204 VanDerWaalsContact C-N 3.32Å; E202-I204 PolarHBondContact O-N 3.11Å; E202-K205 PolarHBondContact O-N 3.06Å; E202-N206 WeakPolarHBondContact O-CB 3.38Å; E202-N206 PolarHBondContact O-N 3.11Å; E202-N206 PolarHBondContact O-ND2 2.8Å
203A90.4Very high85.7Confident33 Ų3375.7 Ų75.727%0.27348%0.478SS..Hα-helixtrans-61.3-40.3173.700000112.1G199 D200 A207 I229G199-A203 WeakPolarHBondContact O-CB 3.46Å; G199-A203 PolarHBondContact O-N 2.9Å; D200-A203 PolarHBondContact O-N 3.27Å; A203-A207 VanDerWaalsContact O-CB 3.31Å; A203-A207 WeakPolarHBondContact O-CB 3.37Å; A203-A207 PolarHBondContact O-N 3.4Å; A203-I229 HydrophobicContact CB-CG2 4.07Å
204I88.4Confident87.2Confident29 Ų2972 Ų7215%0.14947%0.467CS..Hα-helixtrans-62.6-48.6174.2-65.8165.6000110.6P196 D200 V201 E202 N206 A207 I208 L224 I229P196-I204 HydrophobicContact CB-CD1 4.44Å; D200-I204 WeakPolarHBondContact O-CD1 3.4Å; D200-I204 WeakPolarHBondContact O-CG1 3.29Å; D200-I204 PolarHBondContact O-N 2.82Å; V201-I204 PolarHBondContact O-N 3.17Å; E202-I204 VanDerWaalsContact C-N 3.32Å; E202-I204 PolarHBondContact O-N 3.11Å; I204-N206 PolarHBondContact O-N 3.42Å; I204-A207 PolarHBondContact O-N 2.95Å; I204-I208 HydrophobicContact CG2-CD1 3.67Å; I204-I208 HydrophobicContact CG2-CG1 4.38Å; I204-I208 VanDerWaalsContact O-CG1 3.3Å; I204-I208 WeakPolarHBondContact O-CG1 3.3Å; I204-I208 PolarHBondContact O-N 3.2Å; I204-L224 HydrophobicContact CD1-CD2 3.75Å; I204-L224 HydrophobicContact CG1-CD2 3.62Å; I204-L224 HydrophobicContact CG2-CD1 3.86Å; I204-L224 HydrophobicContact CG2-CD2 4.19Å; I204-I229 HydrophobicContact CD1-CD1 3.75Å; I204-I229 HydrophobicContact CG1-CD1 4.25Å; I204-I229 HydrophobicContact CG1-CG2 4.28Å
205K90.8Very high88.3Confident123 Ų12372 Ų7254%0.53546%0.461SS..Hα-helixtrans-59.4-46.9178.9-76.2175.7179.6178.40111.7V201 E202 A207 I208 A209V201-K205 HydrophobicContact CG1-CD 4.32Å; V201-K205 WeakPolarHBondContact O-CG 3.43Å; V201-K205 PolarHBondContact O-N 2.97Å; E202-K205 PolarHBondContact O-N 3.06Å; K205-A207 PolarHBondContact O-N 3.02Å; K205-I208 PolarHBondContact O-N 3.12Å; K205-A209 WeakPolarHBondContact O-CB 3.39Å; K205-A209 PolarHBondContact O-N 2.83Å
206N91.7Very high88.9Confident77 Ų7771.5 Ų71.541%0.41244%0.441SS..Hα-helixtrans-63.7-40.6178.5-73.6-30.3000112E202 I204 A209 N210E202-N206 WeakPolarHBondContact O-CB 3.38Å; E202-N206 PolarHBondContact O-N 3.11Å; E202-N206 PolarHBondContact O-ND2 2.8Å; I204-N206 PolarHBondContact O-N 3.42Å; N206-A209 PolarHBondContact O-N 3.12Å; N206-N210 WeakPolarHBondContact O-CB 3.42Å; N206-N210 VanDerWaalsContact O-CG 3.27Å; N206-N210 PolarHBondContact O-N 2.99Å; N206-N210 PolarHBondContact O-ND2 2.89Å
207A90.9Very high89.4Confident20 Ų2071.2 Ų71.217%0.16544%0.438CS..Hα-helixtrans-64-42.4175.600000112.1A203 I204 K205 N210 A211 L220 P230A203-A207 VanDerWaalsContact O-CB 3.31Å; A203-A207 WeakPolarHBondContact O-CB 3.37Å; A203-A207 PolarHBondContact O-N 3.4Å; I204-A207 PolarHBondContact O-N 2.95Å; K205-A207 PolarHBondContact O-N 3.02Å; A207-N210 PolarHBondContact O-N 2.79Å; A207-A211 PolarHBondContact O-N 3.37Å; A207-L220 HydrophobicContact CB-CD1 4.2Å; A207-L220 HydrophobicContact CB-CD2 3.77Å; A207-L220 VanDerWaalsContact O-CD1 3.3Å; A207-L220 WeakPolarHBondContact O-CD1 3.49Å; A207-P230 HydrophobicContact CB-CB 3.53Å; A207-P230 HydrophobicContact CB-CG 3.75Å
208I89.7Confident89.4Confident89 Ų8973 Ų7346%0.45644%0.441SS..Hα-helixtrans-66.3-42.8176.6-66.4169000111I204 K205 N210 A211 L220I204-I208 HydrophobicContact CG2-CD1 3.67Å; I204-I208 HydrophobicContact CG2-CG1 4.38Å; I204-I208 VanDerWaalsContact O-CG1 3.3Å; I204-I208 WeakPolarHBondContact O-CG1 3.3Å; I204-I208 PolarHBondContact O-N 3.2Å; K205-I208 PolarHBondContact O-N 3.12Å; I208-N210 VanDerWaalsContact C-N 3.3Å; I208-N210 PolarHBondContact O-N 3.29Å; I208-A211 WeakPolarHBondContact O-CB 3.37Å; I208-A211 PolarHBondContact O-N 3.4Å; I208-L220 HydrophobicContact CG1-CD1 4.27Å
209A91.2Very high89.4Confident80 Ų8072.3 Ų72.366%0.66142%0.423SS*.Hα-helixtrans-64.6-33179.500000112.9K205 N206K205-A209 WeakPolarHBondContact O-CB 3.39Å; K205-A209 PolarHBondContact O-N 2.83Å; N206-A209 PolarHBondContact O-N 3.12Å
210N91.8Very high89.4Confident134 Ų13470.1 Ų70.172%0.71740%0.399SS*.THydrogen-bonded Turntrans-84-7.4177.9-69.7-33.8000113.7N206 A207 I208 S212N206-N210 WeakPolarHBondContact O-CB 3.42Å; N206-N210 VanDerWaalsContact O-CG 3.27Å; N206-N210 PolarHBondContact O-N 2.99Å; N206-N210 PolarHBondContact O-ND2 2.89Å; A207-N210 PolarHBondContact O-N 2.79Å; I208-N210 VanDerWaalsContact C-N 3.3Å; I208-N210 PolarHBondContact O-N 3.29Å; N210-S212 PolarHBondContact O-N 3.22Å
211A90.9Very high89.4Confident22 Ų2275.5 Ų75.518%0.18242%0.422CS..  trans-72.8109.9179.700000110.7A207 I208 E216 V217 L220A207-A211 PolarHBondContact O-N 3.37Å; I208-A211 WeakPolarHBondContact O-CB 3.37Å; I208-A211 PolarHBondContact O-N 3.4Å; A211-E216 HydrophobicContact CB-CB 4.11Å; A211-E216 HydrophobicContact CB-CG 3.72Å; A211-V217 HydrophobicContact CB-CG2 3.83Å; A211-L220 HydrophobicContact CB-CD1 3.96Å
212S92.8Very high89.3Confident115 Ų11573.5 Ų73.580%0.80441%0.411SS*.  trans-92.7-6.3-177.558.70000114.5N210N210-S212 PolarHBondContact O-N 3.22Å
213T93.1Very high89Confident74 Ų7470.1 Ų70.145%0.45440%0.396SS..SBendtrans-135.3152.2-177.5700000111.5A215 E216 V217T213-A215 PolarHBondContact O-N 3.16Å; T213-E216 PolarHBondContact O-N 2.93Å; T213-E216 VanDerWaalsContact O-N 3.11Å; T213-E216 WeakPolarHBondContact OG1-CB 3.34Å; T213-E216 PolarHBondContact OG1-N 3.29Å; T213-V217 PolarHBondContact O-N 3.1Å
214L88.7Confident88.9Confident128 Ų12871.3 Ų71.367%0.6740%0.397SS*.Hα-helixtrans-60-36.3175.5-176.164.9000112E216 V217 E218L214-E216 VanDerWaalsContact C-N 3.28Å; L214-E216 PolarHBondContact O-N 2.97Å; L214-V217 PolarHBondContact O-N 3.45Å; L214-E218 WeakPolarHBondContact O-CG 3.48Å; L214-E218 PolarHBondContact O-N 3.06Å
215A85.9Confident88.5Confident69 Ų6975.8 Ų75.857%0.5742%0.418SS*.Hα-helixtrans-60.6-38.4176.100000111.9T213 E218 R219T213-A215 PolarHBondContact O-N 3.16Å; A215-E218 PolarHBondContact O-N 2.95Å; A215-R219 WeakPolarHBondContact O-CB 3.34Å; A215-R219 PolarHBondContact O-N 3.14Å
216E87.1Confident87.8Confident56 Ų5671.3 Ų71.326%0.26240%0.402SS..Hα-helixtrans-69.7-38.7176.6-17458.8-166.800111.9A211 T213 L214 R219 L220A211-E216 HydrophobicContact CB-CB 4.11Å; A211-E216 HydrophobicContact CB-CG 3.72Å; T213-E216 PolarHBondContact O-N 2.93Å; T213-E216 VanDerWaalsContact O-N 3.11Å; T213-E216 WeakPolarHBondContact OG1-CB 3.34Å; T213-E216 PolarHBondContact OG1-N 3.29Å; L214-E216 VanDerWaalsContact C-N 3.28Å; L214-E216 PolarHBondContact O-N 2.97Å; E216-R219 VanDerWaalsContact CD-NE 3.35Å; E216-R219 WeakPolarHBondContact O-CB 3.44Å; E216-R219 PolarHBondContact O-N 3.43Å; E216-R219 IonicContact OE1-CZ 3.75Å; E216-R219 IonicContact OE1-NE 3.38Å; E216-R219 PolarHBondContact OE1-NE 3.46Å; E216-R219 VanDerWaalsContact OE1-NE 3.16Å; E216-R219 IonicContact OE1-NH2 3.29Å; E216-R219 PolarHBondContact OE1-NH2 3.3Å; E216-R219 IonicContact OE2-CZ 3.66Å; E216-R219 IonicContact OE2-NE 3.14Å; E216-R219 PolarHBondContact OE2-NE 3.26Å; E216-R219 IonicContact OE2-NH2 2.73Å; E216-L220 WeakPolarHBondContact O-CG 3.28Å; E216-L220 PolarHBondContact O-N 2.99Å
217V89.2Confident87.4Confident67 Ų6770.4 Ų70.441%0.40641%0.411SS..Hα-helixtrans-63.4-43.6174.2177.50000111.4A211 T213 L214 R219 L220 K221A211-V217 HydrophobicContact CB-CG2 3.83Å; T213-V217 PolarHBondContact O-N 3.1Å; L214-V217 PolarHBondContact O-N 3.45Å; V217-R219 VanDerWaalsContact C-N 3.33Å; V217-R219 PolarHBondContact O-N 2.94Å; V217-L220 PolarHBondContact O-N 3.5Å; V217-K221 WeakPolarHBondContact O-CB 3.46Å; V217-K221 PolarHBondContact O-N 3.15Å
218E85.6Confident87Confident86 Ų8673.6 Ų73.640%0.40242%0.422SS..Hα-helixtrans-62.4-40.7174.8-73.6-175.8175.700111.6R122 L214 A215 K221 G222R122-E218 IonicContact NE-OE2 3.17Å; L214-E218 WeakPolarHBondContact O-CG 3.48Å; L214-E218 PolarHBondContact O-N 3.06Å; A215-E218 PolarHBondContact O-N 2.95Å; E218-K221 PolarHBondContact O-N 3.19Å; E218-G222 PolarHBondContact O-N 2.87Å
219R86.9Confident86.7Confident103 Ų10371.1 Ų71.139%0.38941%0.409SS..Hα-helixtrans-60.4-47.7175.2-168.8-17377.694.61111.5A215 E216 V217 G222 L223A215-R219 WeakPolarHBondContact O-CB 3.34Å; A215-R219 PolarHBondContact O-N 3.14Å; E216-R219 VanDerWaalsContact CD-NE 3.35Å; E216-R219 WeakPolarHBondContact O-CB 3.44Å; E216-R219 PolarHBondContact O-N 3.43Å; E216-R219 IonicContact OE1-CZ 3.75Å; E216-R219 IonicContact OE1-NE 3.38Å; E216-R219 PolarHBondContact OE1-NE 3.46Å; E216-R219 VanDerWaalsContact OE1-NE 3.16Å; E216-R219 IonicContact OE1-NH2 3.29Å; E216-R219 PolarHBondContact OE1-NH2 3.3Å; E216-R219 IonicContact OE2-CZ 3.66Å; E216-R219 IonicContact OE2-NE 3.14Å; E216-R219 PolarHBondContact OE2-NE 3.26Å; E216-R219 IonicContact OE2-NH2 2.73Å; V217-R219 VanDerWaalsContact C-N 3.33Å; V217-R219 PolarHBondContact O-N 2.94Å; R219-G222 PolarHBondContact O-N 2.81Å; R219-L223 WeakPolarHBondContact O-CB 3.32Å; R219-L223 PolarHBondContact O-N 3.26Å
220L88.9Confident86.3Confident4 Ų468.2 Ų68.22%0.02138%0.384CS..Hα-helixtrans-61.8-45.4177-71.5171.1000111.4A207 I208 A211 E216 V217 G222 L223 L224 P230A207-L220 HydrophobicContact CB-CD1 4.2Å; A207-L220 HydrophobicContact CB-CD2 3.77Å; A207-L220 VanDerWaalsContact O-CD1 3.3Å; A207-L220 WeakPolarHBondContact O-CD1 3.49Å; I208-L220 HydrophobicContact CG1-CD1 4.27Å; A211-L220 HydrophobicContact CB-CD1 3.96Å; E216-L220 WeakPolarHBondContact O-CG 3.28Å; E216-L220 PolarHBondContact O-N 2.99Å; V217-L220 PolarHBondContact O-N 3.5Å; L220-G222 VanDerWaalsContact C-N 3.34Å; L220-G222 PolarHBondContact O-N 2.81Å; L220-L223 WeakPolarHBondContact O-CB 3.14Å; L220-L223 PolarHBondContact O-N 3.47Å; L220-L223 VanDerWaalsContact O-N 3.15Å; L220-L224 VanDerWaalsContact O-CG 3.28Å; L220-L224 WeakPolarHBondContact O-CG 3.43Å; L220-L224 PolarHBondContact O-N 3.49Å; L220-P230 HydrophobicContact CD2-CB 4.18Å; L220-P230 HydrophobicContact CD2-CG 3.7Å
221K86.9Confident85.7Confident133 Ų13366.1 Ų66.158%0.57839%0.394SS*.Hα-helixtrans-56.4-47.1175.2-176.6-176.2176.3-174.70111.6V217 E218 L223 L224 Q225V217-K221 WeakPolarHBondContact O-CB 3.46Å; V217-K221 PolarHBondContact O-N 3.15Å; E218-K221 PolarHBondContact O-N 3.19Å; K221-L223 VanDerWaalsContact C-N 3.34Å; K221-L223 PolarHBondContact O-N 3.08Å; K221-L224 PolarHBondContact O-N 2.75Å; K221-Q225 WeakPolarHBondContact O-CB 3.35Å; K221-Q225 VanDerWaalsContact O-CG 3.32Å; K221-Q225 WeakPolarHBondContact O-CG 3.46Å; K221-Q225 PolarHBondContact O-N 3.04Å
222G84.1Confident84.7Confident10 Ų1072.9 Ų72.910%0.10342%0.415CS..Hα-helixtrans-62.8-39176.600000113E218 R219 L220 Q225 S226E218-G222 PolarHBondContact O-N 2.87Å; R219-G222 PolarHBondContact O-N 2.81Å; L220-G222 VanDerWaalsContact C-N 3.34Å; L220-G222 PolarHBondContact O-N 2.81Å; G222-Q225 PolarHBondContact O-N 3.1Å; G222-S226 PolarHBondContact O-N 2.97Å; G222-S226 VanDerWaalsContact O-N 3.14Å
223L84.9Confident83.1Confident21 Ų2176.3 Ų76.311%0.1142%0.418CS..Hα-helixtrans-63.9-45176.7-165.7139.2000111.5R219 L220 K221 S226 G227 Q228 P230R219-L223 WeakPolarHBondContact O-CB 3.32Å; R219-L223 PolarHBondContact O-N 3.26Å; L220-L223 WeakPolarHBondContact O-CB 3.14Å; L220-L223 PolarHBondContact O-N 3.47Å; L220-L223 VanDerWaalsContact O-N 3.15Å; K221-L223 VanDerWaalsContact C-N 3.34Å; K221-L223 PolarHBondContact O-N 3.08Å; L223-S226 PolarHBondContact O-N 3.16Å; L223-S226 PolarHBondContact O-OG 3.08Å; L223-G227 PolarHBondContact O-N 3.39Å; L223-Q228 HydrophobicContact CD2-CB 3.63Å; L223-Q228 VanDerWaalsContact CD2-O 3.28Å; L223-Q228 WeakPolarHBondContact CD2-O 3.33Å; L223-Q228 HydrophobicContact CG-CB 3.82Å; L223-Q228 PolarHBondContact O-N 2.63Å; L223-Q228 VanDerWaalsContact O-N 3.16Å; L223-P230 HydrophobicContact CD2-CG 3.93Å
224L86.9Confident81.1Confident57 Ų5783.8 Ų83.830%0.29844%0.438SS..Hα-helixtrans-66-39176.4-61.9174.3000112.7I204 L220 K221 S226 G227 P230I204-L224 HydrophobicContact CD1-CD2 3.75Å; I204-L224 HydrophobicContact CG1-CD2 3.62Å; I204-L224 HydrophobicContact CG2-CD1 3.86Å; I204-L224 HydrophobicContact CG2-CD2 4.19Å; L220-L224 VanDerWaalsContact O-CG 3.28Å; L220-L224 WeakPolarHBondContact O-CG 3.43Å; L220-L224 PolarHBondContact O-N 3.49Å; K221-L224 PolarHBondContact O-N 2.75Å; L224-S226 PolarHBondContact O-N 3.38Å; L224-G227 PolarHBondContact O-N 3.27Å; L224-P230 HydrophobicContact CD2-CG 4.46Å
225Q80.5Confident78.8Confident124 Ų12489.5 Ų89.558%0.57945%0.451SS*.Hα-helixtrans-62.8-30.5175.1-76.5177.8-24.700112.6K221 G222 G227K221-Q225 WeakPolarHBondContact O-CB 3.35Å; K221-Q225 VanDerWaalsContact O-CG 3.32Å; K221-Q225 WeakPolarHBondContact O-CG 3.46Å; K221-Q225 PolarHBondContact O-N 3.04Å; G222-Q225 PolarHBondContact O-N 3.1Å; Q225-G227 PolarHBondContact O-N 3.16Å
226S76.8Confident76.6Confident29 Ų2990.3 Ų90.320%0.20345%0.452CS..THydrogen-bonded Turntrans-76.6-3172.476.10000114.3G222 L223 L224 Q228G222-S226 PolarHBondContact O-N 2.97Å; G222-S226 VanDerWaalsContact O-N 3.14Å; L223-S226 PolarHBondContact O-N 3.16Å; L223-S226 PolarHBondContact O-OG 3.08Å; L224-S226 PolarHBondContact O-N 3.38Å; S226-Q228 WeakPolarHBondContact OG-CG 3.37Å
227G81.8Confident74Confident58 Ų5890.3 Ų90.360%0.59847%0.468SS*.THydrogen-bonded Turntrans76.519.5-176.900000114.2L223 L224 Q225L223-G227 PolarHBondContact O-N 3.39Å; L224-G227 PolarHBondContact O-N 3.27Å; Q225-G227 PolarHBondContact O-N 3.16Å
228Q82.5Confident71.7Confident86 Ų8693.5 Ų93.540%0.40249%0.49SS..  trans-94.6146.9173.5-66.3177.631.200110L223 S226L223-Q228 HydrophobicContact CD2-CB 3.63Å; L223-Q228 VanDerWaalsContact CD2-O 3.28Å; L223-Q228 WeakPolarHBondContact CD2-O 3.33Å; L223-Q228 HydrophobicContact CG-CB 3.82Å; L223-Q228 PolarHBondContact O-N 2.63Å; L223-Q228 VanDerWaalsContact O-N 3.16Å; S226-Q228 WeakPolarHBondContact OG-CG 3.37Å
229I85.3Confident69.4Low37 Ų3795.4 Ų95.419%0.1951%0.507CS..  trans-107.1126.4177-56.1-61.5000107.8P196 D200 A203 I204 G231 R232P196-I229 HydrophobicContact CB-CD1 4.4Å; D200-I229 HydrophobicContact CB-CD1 4.01Å; D200-I229 HydrophobicContact CB-CG1 4.02Å; D200-I229 HydrophobicContact CB-CG2 3.91Å; A203-I229 HydrophobicContact CB-CG2 4.07Å; I204-I229 HydrophobicContact CD1-CD1 3.75Å; I204-I229 HydrophobicContact CG1-CD1 4.25Å; I204-I229 HydrophobicContact CG1-CG2 4.28Å; I229-G231 PolarHBondContact O-N 3.18Å; I229-R232 HydrophobicContact CB-CB 4.3Å; I229-R232 PolarHBondContact O-N 3.07Å
230P82.8Confident67.1Low20 Ų2097.9 Ų97.913%0.1353%0.528CS..THydrogen-bonded Turntrans-52.1132.9175.9-2431.5000111.5A207 L220 L223 L224 R232A207-P230 HydrophobicContact CB-CB 3.53Å; A207-P230 HydrophobicContact CB-CG 3.75Å; L220-P230 HydrophobicContact CD2-CB 4.18Å; L220-P230 HydrophobicContact CD2-CG 3.7Å; L223-P230 HydrophobicContact CD2-CG 3.93Å; L224-P230 HydrophobicContact CD2-CG 4.46Å; P230-R232 VanDerWaalsContact C-N 3.33Å; P230-R232 PolarHBondContact O-N 3.2Å
231G78Confident64.6Low90 Ų90105.1 Ų105.193%0.92857%0.567SS**THydrogen-bonded Turntrans84.3-8.6178.600000116.1I229I229-G231 PolarHBondContact O-N 3.18Å
232R71.3Confident62.2Low163 Ų163101.9 Ų101.962%0.61557%0.571SS**  trans-103.994.9178.6-148.3173.3-173.6-178.71.2110.7D200 I229 P230 R234D200-R232 VanDerWaalsContact CG-NH1 3.32Å; D200-R232 WeakPolarHBondContact OD1-CD 3.3Å; D200-R232 IonicContact OD1-CZ 2.7Å; D200-R232 IonicContact OD1-NE 2.82Å; D200-R232 IonicContact OD1-NH1 3.23Å; D200-R232 PolarHBondContact OD1-NH1 3.22Å; D200-R232 IonicContact OD2-NH1 2.67Å; D200-R232 PolarHBondContact OD2-NH1 3.14Å; D200-R232 VanDerWaalsContact OD2-NH1 3.14Å; I229-R232 HydrophobicContact CB-CB 4.3Å; I229-R232 PolarHBondContact O-N 3.07Å; P230-R232 VanDerWaalsContact C-N 3.33Å; P230-R232 PolarHBondContact O-N 3.2Å; R232-R234 PolarHBondContact O-N 3.44Å
233E57.3Low60Low187 Ų187110.6 Ų110.687%0.87461%0.609SS**  trans-69.7112.7167.1-68.7-168.5164.300109R235E233-R235 PolarHBondContact O-N 2.9Å
234R52.3Low57.9Low232 Ų232119 Ų11988%0.87565%0.648SS**  trans-65.8102.8173.9-117-177.9-179.9173.21.6108.7R232 S236R232-R234 PolarHBondContact O-N 3.44Å; R234-S236 VanDerWaalsContact C-N 3.33Å; R234-S236 PolarHBondContact O-N 2.9Å
235R39.3Very low55.6Low247 Ų247125.4 Ų125.493%0.93268%0.676SS**  trans-62.797.6156.6-72-175.8-179.3-179.50.2107.1E233 G237E233-R235 PolarHBondContact O-N 2.9Å; R235-G237 PolarHBondContact O-N 2.88Å
236S39.8Very low53.9Low86 Ų86127.9 Ų127.960%0.60169%0.69SS**  trans-88.998.8171.859.50000109.4R234R234-S236 VanDerWaalsContact C-N 3.33Å; R234-S236 PolarHBondContact O-N 2.9Å
237G34Very low52.4Low57 Ų57135.4 Ų135.459%0.58872%0.722SS**  trans-168.9128.2163.500000107.6R235 T239R235-G237 PolarHBondContact O-N 2.88Å; G237-T239 PolarHBondContact O-N 3.3Å
238P40.9Very low50.6Low134 Ų134141 Ų14187%0.8773%0.733SS**  trans-69127.2175.229.6-30.1000108.4
239T36.8Very low48.9Very low125 Ų125144.7 Ų144.777%0.76776%0.755SS**  trans-74.8117.3159.441.80000106.9G237G237-T239 PolarHBondContact O-N 3.3Å
240D37.5Very low47.1Very low156 Ų156148.6 Ų148.683%0.83478%0.781SS**  trans-81.6106.9168.7-17029.5000106.4
241D36.8Very low45.7Very low155 Ų155154.5 Ų154.583%0.82982%0.816SS**  trans-112.498.5167.3-74.4-43.9000105.8
242G37.3Very low44.7Very low65 Ų65156.4 Ų156.467%0.6781%0.81SS**  trans-148.493.9176.200000108.5
243E37.6Very low43.5Very low193 Ų193157 Ų15790%0.90283%0.826SS**  trans-60.9121.6177.5-59.2163.6161.100111
244E39.6Very low43.4Very low198 Ų198151.3 Ų151.393%0.92582%0.817SS**  trans-146.2104.3150-72.9-164.6166.200109.4
245E40Very low43.3Very low191 Ų191150 Ų15089%0.89384%0.843SS**  trans-68.6136.3162.7-64.3177.5150.800109.4
246M45.1Very low43.5Very low177 Ų177145.2 Ų145.287%0.87284%0.839SS**  trans-166.6108.4139-104-163.4-7500111.3
247E44.8Very low43.7Very low187 Ų187148.3 Ų148.387%0.87485%0.851SS**  trans47.4118.1142.4-64.1-176.5161.500121.4
248E43.3Very low44.3Very low176 Ų176153.3 Ų153.382%0.82287%0.866SS**  trans-63.1141.1160-66.7175.9136.500111.4
249D47.7Very low44.5Very low163 Ų163154.5 Ų154.587%0.87287%0.866SS**  trans-146.9117.8135.5-109.5-23.3000110.5
250T47.8Very low45Very low118 Ų118156.3 Ų156.372%0.72487%0.872SS**  trans-70.4135.4-179.944.40000112.1
251V53.6Low45.4Very low145 Ų145156.3 Ų156.388%0.87987%0.874SS**  trans-130.8107.8152.5-173.60000109
252T55Low46.1Very low130 Ų130156.4 Ų156.480%0.79888%0.877SS**  trans-69.8133.6170.338.50000111.4
253N47.4Very low46.7Very low176 Ų176163.5 Ų163.594%0.94189%0.893SS**  trans-59.3140.2166-105.2-13.4000112
254G55.4Low47.5Very low66 Ų66161 Ų16168%0.6889%0.893SS**  trans-158100.9165.600000110.8
255S50.4Low48.2Very low205 Ų205157.6 Ų157.6100%1.43489%0.89SS**  trans70.80166.7-59.90000119.3

Retrieved 255 of 255 residues in 72.6 ms (Link to these results)

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