A0A087XVQ3_POEFO Loading...

GTP:AMP phosphotransferase AK3, mitochondrial

Involved in maintaining the homeostasis of cellular nucleotides by catalyzing the interconversion of nucleoside phosphates. Has GTP:AMP phosphotransferase and ITP:AMP phosphotransferase activities.

AlphaFold DB , UniProt , Accession A0A087XVQ3, Species POEFO (Poecilia formosa, Amazon molly), Gene AK3, Length 226 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
1M48.7Very low86.6Confident241 Ų24151.7 Ų51.7100%1.18728%0.277SS*.  0136.40-88.4177.3-179.200108.2K3M1-K3 PolarHBondContact O-N 3.33Å
2A64.1Low87Confident81 Ų8148.3 Ų48.367%0.66926%0.259SS*.PPolyproline II helixtrans-61.5133.5171.400000109.3L4A2-L4 PolarHBondContact O-N 3Å
3K79.6Confident86.9Confident127 Ų12746.5 Ų46.555%0.55225%0.252SS*.PPolyproline II helixtrans-60.8128.4175.4-175.4-179.4172.6-169.90109.3M1 D106M1-K3 PolarHBondContact O-N 3.33Å; K3-D106 WeakPolarHBondContact CE-OD1 3.45Å; K3-D106 IonicContact NZ-OD1 2.67Å; K3-D106 PolarHBondContact NZ-OD1 3.46Å
4L91.9Very high86.8Confident65 Ų6544.9 Ų44.934%0.3425%0.251SS..PPolyproline II helixtrans-73.3131.8177.2-61175.9000110.1A2 R80 N81 S83A2-L4 PolarHBondContact O-N 3Å; L4-R80 WeakPolarHBondContact CD1-O 3.33Å; L4-N81 VanDerWaalsContact CD1-C 3.48Å; L4-N81 WeakPolarHBondContact CD2-O 3.36Å; L4-S83 WeakPolarHBondContact CA-OG 3.28Å
5L93.6Very high87Confident15 Ų1541.9 Ų41.98%0.07923%0.234CC..PPolyproline II helixtrans-84133.1-179.1-175.371000111.1A7 L30 S83 W84 D106 L209 M213L5-A7 HydrophobicContact CD2-CB 4.34Å; L5-A7 HydrophobicContact CG-CB 4.3Å; L5-L30 HydrophobicContact CB-CD2 4.12Å; L5-L30 HydrophobicContact CD2-CD1 4.04Å; L5-L30 HydrophobicContact CD2-CD2 3.85Å; L5-L30 HydrophobicContact CG-CD2 4.44Å; L5-S83 PolarHBondContact N-OG 3.01Å; L5-S83 CarbonylContact O-C 3.52Å; L5-S83 VanDerWaalsContact O-CA 3.31Å; L5-S83 WeakPolarHBondContact O-CA 3.39Å; L5-W84 PolarHBondContact O-N 3.38Å; L5-D106 HydrophobicContact CD1-CB 3.74Å; L5-L209 HydrophobicContact CD2-CD2 3.85Å; L5-M213 HydrophobicContact CD2-SD 4.46Å
6R96.3Very high87Confident22 Ų2240.4 Ų40.48%0.08323%0.232CC..EExtended strand (participates in β ladder)trans-118103175.9-55.2-73.6169.3-102.514.4108.8R80 H82 W84 Q104 M105 D106 L107R6-R80 PolarHBondContact NH2-O 3.35Å; R6-H82 VanDerWaalsContact CZ-O 3.26Å; R6-H82 PolarHBondContact NH1-O 3.14Å; R6-H82 PolarHBondContact NH2-O 2.88Å; R6-W84 HydrophobicContact CB-CH2 3.99Å; R6-W84 HydrophobicContact CB-CZ2 4.16Å; R6-W84 HydrophobicContact CB-CZ3 4.26Å; R6-W84 VanDerWaalsContact CD-NE1 3.31Å; R6-W84 HydrophobicContact CG-CZ2 4.21Å; R6-Q104 WeakPolarHBondContact CB-O 3.45Å; R6-Q104 WeakPolarHBondContact CG-O 3.28Å; R6-M105 HydrophobicContact CB-SD 4.35Å; R6-D106 PolarHBondContact N-OD2 3.09Å; R6-D106 PolarHBondContact O-N 3.07Å; R6-L107 PolarHBondContact O-N 2.78Å
7A96.6Very high87.1Confident1 Ų140.8 Ų40.81%0.00823%0.23CC..EExtended strand (participates in β ladder)trans-128.4151.9-172.300000113.9L5 W84 L85 L86 M105 L107L5-A7 HydrophobicContact CD2-CB 4.34Å; L5-A7 HydrophobicContact CG-CB 4.3Å; A7-W84 PolarHBondContact N-O 3.41Å; A7-L85 HydrophobicContact CB-CD1 3.71Å; A7-L85 CarbonylContact O-C 3.56Å; A7-L85 WeakPolarHBondContact O-CA 3.19Å; A7-L86 PolarHBondContact O-N 2.8Å; A7-M105 VanDerWaalsContact C-CE 3.41Å; A7-L107 CarbonylContact C-O 3.56Å; A7-L107 WeakPolarHBondContact CA-O 3.28Å; A7-L107 HydrophobicContact CB-CB 4.16Å
8A97.5Very high87.2Confident0 Ų039.7 Ų39.70%023%0.229CC..EExtended strand (participates in β ladder)trans-138.1148.7173.700000111.5L86 M105 L107 V108 I109A8-L86 WeakPolarHBondContact CA-O 3.43Å; A8-L86 HydrophobicContact CB-CB 4.03Å; A8-M105 HydrophobicContact CB-CE 3.63Å; A8-L107 PolarHBondContact N-O 2.9Å; A8-V108 HydrophobicContact CB-CG2 4.45Å; A8-V108 CarbonylContact O-C 3.29Å; A8-V108 WeakPolarHBondContact O-CA 3.23Å; A8-I109 PolarHBondContact O-N 3.32Å
9V96.1Very high87.2Confident0 Ų041.3 Ų41.30%024%0.239CC..EExtended strand (participates in β ladder)trans-116.7123169.9-1740000109.8K17 C21 I24 L85 L86 I109 L111V9-K17 HydrophobicContact CG1-CB 4.09Å; V9-C21 WeakPolarHBondContact CB-SG 3.39Å; V9-C21 WeakPolarHBondContact CG2-SG 3.35Å; V9-I24 HydrophobicContact CG2-CD1 4.19Å; V9-L85 HydrophobicContact CG2-CD1 3.81Å; V9-L85 HydrophobicContact CG2-CD2 4.47Å; V9-L86 PolarHBondContact N-O 3.01Å; V9-I109 CarbonylContact C-O 3.57Å; V9-I109 WeakPolarHBondContact CA-O 3.18Å; V9-I109 HydrophobicContact CG1-CB 4.42Å; V9-I109 HydrophobicContact CG1-CG2 4.47Å; V9-I109 HydrophobicContact CG2-CB 4.23Å; V9-I109 HydrophobicContact CG2-CD1 4.34Å; V9-L111 HydrophobicContact CG1-CD1 4.13Å; V9-L111 HydrophobicContact CG1-CG 4.08Å
10L95.4Very high87.3Confident10 Ų1039.3 Ų39.35%0.05223%0.228CC..EExtended strand (participates in β ladder)trans-103.7138.3174.6-50.8-178.2000108.8P90 V108 I109 S110 L111 V180 I181L10-P90 WeakPolarHBondContact CD2-O 3.39Å; L10-V108 HydrophobicContact CD1-CG1 3.64Å; L10-V108 HydrophobicContact CG-CG1 3.78Å; L10-I109 PolarHBondContact N-O 3.4Å; L10-S110 CarbonylContact O-C 3.59Å; L10-S110 WeakPolarHBondContact O-CA 3.36Å; L10-L111 PolarHBondContact O-N 2.91Å; L10-V180 HydrophobicContact CD1-CG1 3.81Å; L10-I181 HydrophobicContact CD1-CG1 4.16Å
11G93.2Very high87.6Confident7 Ų737.4 Ų37.47%0.07222%0.217CC..  trans-176.3154.5171.900000111.1Y173G11-Y173 WeakPolarHBondContact CA-OH 3.01Å; G11-Y173 PolarHBondContact N-OH 3.48Å; G11-Y173 VanDerWaalsContact N-OH 3.13Å; G11-Y173 WeakPolarHBondContact O-CE2 3.34Å
12P91.2Very high89.6Confident10 Ų1032 Ų327%0.06519%0.187CC..  trans-63.5162.8175.323.6-30.1000111.2G14 S15 L111 L118 L170 Y173P12-G14 PolarHBondContact O-N 2.62Å; P12-S15 WeakPolarHBondContact O-CB 3.41Å; P12-S15 PolarHBondContact O-N 2.9Å; P12-S15 VanDerWaalsContact O-N 3.13Å; P12-S15 PolarHBondContact O-OG 3.33Å; P12-L111 VanDerWaalsContact CD-O 3.29Å; P12-L111 WeakPolarHBondContact CD-O 3.46Å; P12-L118 HydrophobicContact CB-CD1 3.91Å; P12-L118 HydrophobicContact CG-CD1 3.47Å; P12-L118 VanDerWaalsContact CG-CD1 3.47Å; P12-L118 HydrophobicContact CG-CD2 4.14Å; P12-L118 HydrophobicContact CG-CG 4.45Å; P12-L170 HydrophobicContact CB-CD2 3.58Å; P12-Y173 HydrophobicContact CB-CD1 3.62Å; P12-Y173 HydrophobicContact CB-CE1 3.74Å; P12-Y173 HydrophobicContact CB-CG 4.16Å; P12-Y173 HydrophobicContact CG-CD1 4.43Å; P12-Y173 HydrophobicContact CG-CE1 4.12Å; P12-Y173 VanDerWaalsContact N-CZ 3.31Å
13P85.7Confident90.8Very high26 Ų2633.1 Ų33.117%0.16917%0.174CC..THydrogen-bonded Turntrans-47.5140.3162.3-24.434.1000110.7S15 L118 L122 R169P13-S15 PolarHBondContact O-N 2.97Å; P13-L118 WeakPolarHBondContact O-CD2 3.4Å; P13-L122 HydrophobicContact CB-CD1 4.21Å; P13-R169 HydrophobicContact CG-CG 4.24Å
14G86.1Confident91.3Very high23 Ų2327.2 Ų27.224%0.23715%0.148CC..THydrogen-bonded Turntrans79.7-6.9-178.200000115.6P12 G16 L118 R121P12-G14 PolarHBondContact O-N 2.62Å; G14-G16 PolarHBondContact O-N 3.06Å; G14-G16 VanDerWaalsContact O-N 3.14Å; G14-L118 VanDerWaalsContact C-CD2 3.41Å; G14-R121 WeakPolarHBondContact O-CD 3.43Å; G14-R121 PolarHBondContact O-NH1 2.97Å; G14-R121 VanDerWaalsContact O-NH1 3.15Å
15S89.3Confident91.3Very high0 Ų024.6 Ų24.60%014%0.136CC..SBendtrans-67.4-14.6-177.757.10000115.5P12 P13 R121P12-S15 WeakPolarHBondContact O-CB 3.41Å; P12-S15 PolarHBondContact O-N 2.9Å; P12-S15 VanDerWaalsContact O-N 3.13Å; P12-S15 PolarHBondContact O-OG 3.33Å; P13-S15 PolarHBondContact O-N 2.97Å; S15-R121 PolarHBondContact O-NH1 3.01Å
16G86.6Confident91.2Very high19 Ų1931.8 Ų31.820%0.19617%0.169CC..SBendtrans866.7-173.500000114.1G14 G18 T19 I20G14-G16 PolarHBondContact O-N 3.06Å; G14-G16 VanDerWaalsContact O-N 3.14Å; G16-G18 VanDerWaalsContact C-N 3.27Å; G16-G18 PolarHBondContact O-N 2.96Å; G16-G18 VanDerWaalsContact O-N 3.16Å; G16-T19 WeakPolarHBondContact O-CB 3.44Å; G16-T19 PolarHBondContact O-N 3.36Å; G16-T19 VanDerWaalsContact O-N 3.07Å; G16-I20 PolarHBondContact O-N 3.09Å
17K89.9Confident90.9Very high47 Ų4733.6 Ų33.620%0.20419%0.185CC..Hα-helixtrans-47.6-43.3178.659.2174.7-165.6590114.2V9 I20 C21 D87 L111V9-K17 HydrophobicContact CG1-CB 4.09Å; K17-I20 PolarHBondContact O-N 3.3Å; K17-C21 WeakPolarHBondContact O-CB 2.98Å; K17-C21 PolarHBondContact O-N 3.14Å; K17-C21 PolarHBondContact O-SG 3.3Å; K17-D87 VanDerWaalsContact CD-OD1 3.3Å; K17-D87 WeakPolarHBondContact CD-OD1 3.34Å; K17-D87 WeakPolarHBondContact CE-OD1 3.5Å; K17-D87 IonicContact NZ-OD1 2.78Å; K17-D87 PolarHBondContact NZ-OD1 3.03Å; K17-D87 IonicContact NZ-OD2 3.68Å; K17-D87 PolarHBondContact NZ-OD2 2.83Å; K17-L111 HydrophobicContact CB-CD1 3.9Å
18G88.9Confident90.5Very high20 Ų2035 Ų3521%0.20619%0.191CC..Hα-helixtrans-66.8-41.2-178.500000112.4G16 C21 K22G16-G18 VanDerWaalsContact C-N 3.27Å; G16-G18 PolarHBondContact O-N 2.96Å; G16-G18 VanDerWaalsContact O-N 3.16Å; G18-C21 PolarHBondContact O-N 3.43Å; G18-K22 VanDerWaalsContact O-CG 3.31Å; G18-K22 WeakPolarHBondContact O-CG 3.45Å; G18-K22 PolarHBondContact O-N 3.06Å
19T87.4Confident90.2Very high70 Ų7038.2 Ų38.243%0.42922%0.224SC..Hα-helixtrans-61.7-48174.8-52.90000110.7G16 K22 R23 F139 T198G16-T19 WeakPolarHBondContact O-CB 3.44Å; G16-T19 PolarHBondContact O-N 3.36Å; G16-T19 VanDerWaalsContact O-N 3.07Å; T19-K22 PolarHBondContact O-N 3.35Å; T19-R23 WeakPolarHBondContact O-CB 3.32Å; T19-R23 PolarHBondContact O-N 3.49Å; T19-R23 VanDerWaalsContact O-N 3.07Å; T19-F139 HydrophobicContact CG2-CE1 4.34Å; T19-T198 HydrophobicContact CG2-CG2 4.34Å
20I88.6Confident90.1Very high2 Ų238.7 Ų38.71%0.0123%0.226CC..Hα-helixtrans-62-47.7178-74.4158.1000111G16 K17 K22 R23 I24 L111 T198 I201 I205G16-I20 PolarHBondContact O-N 3.09Å; K17-I20 PolarHBondContact O-N 3.3Å; I20-K22 PolarHBondContact O-N 3.19Å; I20-R23 PolarHBondContact O-N 3.43Å; I20-R23 VanDerWaalsContact O-N 3.17Å; I20-I24 HydrophobicContact CG2-CD1 3.64Å; I20-I24 HydrophobicContact CG2-CG1 4.17Å; I20-I24 VanDerWaalsContact O-CG1 3.28Å; I20-I24 WeakPolarHBondContact O-CG1 3.4Å; I20-I24 PolarHBondContact O-N 3.01Å; I20-L111 HydrophobicContact CD1-CD1 3.45Å; I20-L111 VanDerWaalsContact CD1-CD1 3.45Å; I20-L111 HydrophobicContact CD1-CD2 3.96Å; I20-L111 HydrophobicContact CD1-CG 4.36Å; I20-T198 HydrophobicContact CD1-CG2 4.1Å; I20-T198 HydrophobicContact CG1-CG2 3.89Å; I20-I201 HydrophobicContact CD1-CB 4.03Å; I20-I201 HydrophobicContact CD1-CD1 3.73Å; I20-I201 HydrophobicContact CD1-CG1 4.4Å; I20-I201 HydrophobicContact CD1-CG2 3.54Å; I20-I201 HydrophobicContact CG1-CG2 4.21Å; I20-I205 HydrophobicContact CG2-CD1 3.4Å; I20-I205 VanDerWaalsContact CG2-CD1 3.4Å
21C92.7Very high90.1Very high0 Ų042.4 Ų42.40%024%0.243CC..Hα-helixtrans-61.9-42.8-179-69.40000112.7V9 K17 G18 R23 I24 A25 Y32 L85 D87V9-C21 WeakPolarHBondContact CB-SG 3.39Å; V9-C21 WeakPolarHBondContact CG2-SG 3.35Å; K17-C21 WeakPolarHBondContact O-CB 2.98Å; K17-C21 PolarHBondContact O-N 3.14Å; K17-C21 PolarHBondContact O-SG 3.3Å; G18-C21 PolarHBondContact O-N 3.43Å; C21-R23 VanDerWaalsContact C-N 3.32Å; C21-R23 PolarHBondContact O-N 2.84Å; C21-I24 PolarHBondContact O-N 2.84Å; C21-A25 VanDerWaalsContact O-CB 3.26Å; C21-A25 WeakPolarHBondContact O-CB 3.43Å; C21-A25 PolarHBondContact O-N 3.46Å; C21-Y32 HydrophobicContact CB-CD2 3.78Å; C21-Y32 HydrophobicContact CB-CE2 3.34Å; C21-L85 HydrophobicContact CB-CD2 3.64Å; C21-L85 HydrophobicContact CB-CG 4.49Å; C21-L85 WeakPolarHBondContact O-CD2 3.35Å; C21-D87 HydrophobicContact CB-CB 4.29Å
22K90.6Very high90.2Very high128 Ų12845.6 Ų45.656%0.55725%0.254SS*.Hα-helixtrans-60.8-43175.2-72.8175.5-177.8-176.80111.4G18 T19 I20 A25 H26 Y32G18-K22 VanDerWaalsContact O-CG 3.31Å; G18-K22 WeakPolarHBondContact O-CG 3.45Å; G18-K22 PolarHBondContact O-N 3.06Å; T19-K22 PolarHBondContact O-N 3.35Å; I20-K22 PolarHBondContact O-N 3.19Å; K22-A25 PolarHBondContact O-N 3.01Å; K22-H26 WeakPolarHBondContact O-CB 3.31Å; K22-H26 PolarHBondContact O-N 3.19Å; K22-Y32 HydrophobicContact CG-CE1 4.37Å
23R89.9Confident90.4Very high104 Ų10445.2 Ų45.239%0.39225%0.251SS..Hα-helixtrans-65.6-42.4178.4-162.8174.4179.2172.21.8112.1T19 I20 C21 S27 D199 W202T19-R23 WeakPolarHBondContact O-CB 3.32Å; T19-R23 PolarHBondContact O-N 3.49Å; T19-R23 VanDerWaalsContact O-N 3.07Å; I20-R23 PolarHBondContact O-N 3.43Å; I20-R23 VanDerWaalsContact O-N 3.17Å; C21-R23 VanDerWaalsContact C-N 3.32Å; C21-R23 PolarHBondContact O-N 2.84Å; R23-S27 WeakPolarHBondContact O-CB 3.14Å; R23-S27 PolarHBondContact O-N 3.4Å; R23-S27 PolarHBondContact O-OG 3.22Å; R23-D199 IonicContact NH1-OD1 2.76Å; R23-W202 HydrophobicContact CB-CE3 4.03Å; R23-W202 HydrophobicContact CB-CH2 4.3Å; R23-W202 HydrophobicContact CB-CZ3 3.84Å; R23-W202 HydrophobicContact CG-CD2 3.83Å; R23-W202 HydrophobicContact CG-CE3 3.68Å; R23-W202 HydrophobicContact CG-CH2 3.75Å; R23-W202 HydrophobicContact CG-CZ2 3.89Å; R23-W202 HydrophobicContact CG-CZ3 3.64Å; R23-W202 VanDerWaalsContact NE-CD2 3.26Å; R23-W202 VanDerWaalsContact NE-CE2 3.28Å; R23-W202 VanDerWaalsContact NE-CG 3.29Å; R23-W202 WeakPolarHBondContact O-CH2 3.35Å
24I90.9Very high90.7Very high2 Ų244.8 Ų44.81%0.0125%0.249CC..Hα-helixtrans-59.2-53.4173.1-68.6170.2000109.8V9 I20 C21 H26 S27 F28 L30 L85 I109 W202 I205 L209V9-I24 HydrophobicContact CG2-CD1 4.19Å; I20-I24 HydrophobicContact CG2-CD1 3.64Å; I20-I24 HydrophobicContact CG2-CG1 4.17Å; I20-I24 VanDerWaalsContact O-CG1 3.28Å; I20-I24 WeakPolarHBondContact O-CG1 3.4Å; I20-I24 PolarHBondContact O-N 3.01Å; C21-I24 PolarHBondContact O-N 2.84Å; I24-H26 VanDerWaalsContact C-N 3.34Å; I24-H26 PolarHBondContact O-N 3.4Å; I24-S27 PolarHBondContact O-N 3.11Å; I24-F28 HydrophobicContact CG2-CD2 4.3Å; I24-F28 WeakPolarHBondContact O-CD2 3.41Å; I24-F28 PolarHBondContact O-N 3.43Å; I24-L30 HydrophobicContact CG2-CD1 3.51Å; I24-L85 HydrophobicContact CB-CD2 3.79Å; I24-L85 HydrophobicContact CD1-CD2 4.07Å; I24-L85 HydrophobicContact CG2-CD2 3.69Å; I24-I109 HydrophobicContact CD1-CD1 3.92Å; I24-W202 HydrophobicContact CB-CZ3 4.33Å; I24-W202 HydrophobicContact CG1-CZ3 3.7Å; I24-I205 HydrophobicContact CD1-CD1 4.38Å; I24-I205 HydrophobicContact CD1-CG2 3.63Å; I24-I205 HydrophobicContact CG1-CG2 3.61Å; I24-L209 HydrophobicContact CB-CD1 4.32Å; I24-L209 HydrophobicContact CD1-CD1 4.35Å; I24-L209 HydrophobicContact CG1-CD1 3.99Å; I24-L209 HydrophobicContact CG2-CD1 3.54Å
25A92.1Very high91Very high11 Ų1143.8 Ų43.89%0.09124%0.238CC..Hα-helixtrans-58.9-45.7-176.100000112.4C21 K22 G29 L30C21-A25 VanDerWaalsContact O-CB 3.26Å; C21-A25 WeakPolarHBondContact O-CB 3.43Å; C21-A25 PolarHBondContact O-N 3.46Å; K22-A25 PolarHBondContact O-N 3.01Å; A25-G29 WeakPolarHBondContact O-CA 3.38Å; A25-G29 PolarHBondContact O-N 3.32Å; A25-L30 WeakPolarHBondContact CB-O 3.42Å; A25-L30 PolarHBondContact O-N 2.76Å
26H90.9Very high90.9Very high166 Ų16644.5 Ų44.577%0.76925%0.246SC*.Hα-helixtrans-62.9-48176-179.4-86.5000112.4K22 I24 F28K22-H26 WeakPolarHBondContact O-CB 3.31Å; K22-H26 PolarHBondContact O-N 3.19Å; I24-H26 VanDerWaalsContact C-N 3.34Å; I24-H26 PolarHBondContact O-N 3.4Å; H26-F28 VanDerWaalsContact C-N 3.33Å; H26-F28 PolarHBondContact O-N 2.82Å
27S89.4Confident91Very high60 Ų6048.3 Ų48.342%0.4226%0.258SS..Hα-helixtrans-72.6-26.3-172.7-50.80000113.5R23 I24 W202R23-S27 WeakPolarHBondContact O-CB 3.14Å; R23-S27 PolarHBondContact O-N 3.4Å; R23-S27 PolarHBondContact O-OG 3.22Å; I24-S27 PolarHBondContact O-N 3.11Å; S27-W202 VanDerWaalsContact OG-CH2 3.31Å; S27-W202 WeakPolarHBondContact OG-CH2 3.34Å; S27-W202 VanDerWaalsContact OG-CZ2 3.32Å; S27-W202 WeakPolarHBondContact OG-CZ2 3.3Å
28F88.9Confident91.1Very high31 Ų3147.2 Ų47.214%0.13625%0.253CS..Hα-helixtrans-117.36.6-174.2-65.4-78.8000113.8I24 H26 L30 W202 N206 L209 M213I24-F28 HydrophobicContact CG2-CD2 4.3Å; I24-F28 WeakPolarHBondContact O-CD2 3.41Å; I24-F28 PolarHBondContact O-N 3.43Å; H26-F28 VanDerWaalsContact C-N 3.33Å; H26-F28 PolarHBondContact O-N 2.82Å; F28-L30 VanDerWaalsContact C-N 3.32Å; F28-L30 HydrophobicContact CB-CD1 3.97Å; F28-L30 HydrophobicContact CB-CG 4.12Å; F28-L30 PolarHBondContact O-N 3.14Å; F28-W202 HydrophobicContact CD2-CH2 4.47Å; F28-W202 AromaticContact CE2-CH2 3.96Å; F28-W202 HydrophobicContact CE2-CH2 3.96Å; F28-N206 VanDerWaalsContact CZ-OD1 3.28Å; F28-N206 WeakPolarHBondContact CZ-OD1 3.42Å; F28-L209 HydrophobicContact CD1-CB 4.27Å; F28-L209 HydrophobicContact CD2-CB 4.2Å; F28-L209 HydrophobicContact CD2-CD1 3.66Å; F28-L209 HydrophobicContact CE1-CB 3.74Å; F28-L209 HydrophobicContact CE2-CB 3.69Å; F28-L209 HydrophobicContact CE2-CD1 3.55Å; F28-L209 HydrophobicContact CE2-CG 4.29Å; F28-L209 HydrophobicContact CG-CB 4.47Å; F28-L209 HydrophobicContact CG-CD1 4.42Å; F28-L209 HydrophobicContact CZ-CB 3.43Å; F28-L209 VanDerWaalsContact CZ-CB 3.43Å; F28-L209 HydrophobicContact CZ-CD1 4.21Å; F28-L209 HydrophobicContact CZ-CG 4.48Å; F28-M213 HydrophobicContact CB-CE 4.22Å; F28-M213 HydrophobicContact CB-SD 3.79Å; F28-M213 HydrophobicContact CD1-CE 4.23Å; F28-M213 HydrophobicContact CD1-SD 3.38Å; F28-M213 WeakPolarHBondContact CD1-SD 3.32Å; F28-M213 HydrophobicContact CE1-SD 4.24Å; F28-M213 HydrophobicContact CG-SD 3.87Å
29G90.4Very high91.2Very high66 Ų6647.7 Ų47.768%0.6825%0.251SS*.THydrogen-bonded Turntrans63.633.5178.500000114A25A25-G29 WeakPolarHBondContact O-CA 3.38Å; A25-G29 PolarHBondContact O-N 3.32Å
30L93.7Very high91.2Very high10 Ų1049.3 Ų49.35%0.05225%0.249CC..PPolyproline II helixtrans-89.2141.9-179.4-59.4159.3000110.7L5 I24 A25 F28 Y32 L85L5-L30 HydrophobicContact CB-CD2 4.12Å; L5-L30 HydrophobicContact CD2-CD1 4.04Å; L5-L30 HydrophobicContact CD2-CD2 3.85Å; L5-L30 HydrophobicContact CG-CD2 4.44Å; I24-L30 HydrophobicContact CG2-CD1 3.51Å; A25-L30 WeakPolarHBondContact CB-O 3.42Å; A25-L30 PolarHBondContact O-N 2.76Å; F28-L30 VanDerWaalsContact C-N 3.32Å; F28-L30 HydrophobicContact CB-CD1 3.97Å; F28-L30 HydrophobicContact CB-CG 4.12Å; F28-L30 PolarHBondContact O-N 3.14Å; L30-Y32 PolarHBondContact O-N 3.17Å; L30-L85 HydrophobicContact CB-CB 4.41Å
31Q96.1Very high91.3Very high88 Ų8852.7 Ų52.741%0.41127%0.265SS..EExtended strand (participates in β ladder)trans-66.7121.1168-64.1-62.1-36.400109.1L33 L79 H82 S83 W84 L85Q31-L33 HydrophobicContact CB-CD1 4.26Å; Q31-L33 WeakPolarHBondContact O-CD1 3.4Å; Q31-L79 HydrophobicContact CB-CD1 4.07Å; Q31-L79 HydrophobicContact CG-CD1 4.49Å; Q31-L79 HydrophobicContact CG-CD2 4.28Å; Q31-H82 HydrophobicContact CG-CB 3.83Å; Q31-S83 PolarHBondContact N-O 3.42Å; Q31-W84 HydrophobicContact CB-CB 4.14Å; Q31-W84 CarbonylContact O-C 2.96Å; Q31-W84 VanDerWaalsContact O-CA 3.31Å; Q31-W84 WeakPolarHBondContact O-CA 3.47Å; Q31-L85 PolarHBondContact O-N 2.98Å
32Y95.2Very high91.3Very high74 Ų7453 Ų5329%0.2927%0.268SS..EExtended strand (participates in β ladder)trans-92.4120.9-179171-113.7000110.9C21 K22 L30 D87C21-Y32 HydrophobicContact CB-CD2 3.78Å; C21-Y32 HydrophobicContact CB-CE2 3.34Å; K22-Y32 HydrophobicContact CG-CE1 4.37Å; L30-Y32 PolarHBondContact O-N 3.17Å; Y32-D87 HydrophobicContact CE2-CB 3.6Å; Y32-D87 PolarHBondContact OH-OD2 3.19Å; Y32-D87 VanDerWaalsContact OH-OD2 3.07Å
33L95.2Very high91.4Very high2 Ų248.7 Ų48.71%0.0125%0.251CS..EExtended strand (participates in β ladder)trans-118.8113.2-178.1-74.4104.2000110.2Q31 F38 M72 K75 L76 L79 W84 L85 L86 D87Q31-L33 HydrophobicContact CB-CD1 4.26Å; Q31-L33 WeakPolarHBondContact O-CD1 3.4Å; L33-F38 HydrophobicContact CB-CE2 3.66Å; L33-F38 HydrophobicContact CB-CZ 4.33Å; L33-F38 HydrophobicContact CD2-CE2 3.54Å; L33-F38 HydrophobicContact CD2-CZ 3.81Å; L33-F38 HydrophobicContact CG-CE2 3.75Å; L33-F38 HydrophobicContact CG-CZ 3.98Å; L33-M72 HydrophobicContact CB-CE 4.47Å; L33-K75 HydrophobicContact CD2-CB 4.48Å; L33-L76 HydrophobicContact CD1-CD2 4.4Å; L33-L76 HydrophobicContact CD2-CD2 3.84Å; L33-L76 HydrophobicContact CD2-CG 4.37Å; L33-L79 HydrophobicContact CD1-CD1 3.73Å; L33-L79 HydrophobicContact CD2-CD1 3.83Å; L33-L79 HydrophobicContact CG-CD1 4.09Å; L33-W84 HydrophobicContact CD1-CB 3.58Å; L33-W84 HydrophobicContact CD1-CG 4.35Å; L33-L85 PolarHBondContact N-O 3.37Å; L33-L86 HydrophobicContact CB-CD2 3.68Å; L33-L86 HydrophobicContact CD1-CD2 4.49Å; L33-L86 HydrophobicContact CD2-CD2 4.42Å; L33-L86 HydrophobicContact CG-CD2 4.43Å; L33-L86 CarbonylContact O-C 3.55Å; L33-L86 WeakPolarHBondContact O-CA 3.38Å; L33-D87 PolarHBondContact O-N 3.05Å
34S93Very high91.5Very high18 Ų1847.5 Ų47.513%0.12626%0.263CS..EExtended strand (participates in β ladder)trans-105.9123.7174.1-1740000110.5G36 H37 F38S34-G36 PolarHBondContact O-N 2.7Å; S34-H37 WeakPolarHBondContact O-CB 3.41Å; S34-H37 PolarHBondContact O-N 2.71Å; S34-F38 VanDerWaalsContact O-CD2 3.28Å; S34-F38 WeakPolarHBondContact O-CD2 3.5Å; S34-F38 PolarHBondContact O-N 3.01Å; S34-F38 VanDerWaalsContact O-N 3.12Å
35S91.3Very high91.6Very high2 Ų250.6 Ų50.61%0.01429%0.289CS..Hα-helixtrans-58.7-38.5177.9570000112.6H37 F38 L39 D87 G88S35-H37 VanDerWaalsContact C-N 3.3Å; S35-H37 PolarHBondContact O-N 3Å; S35-F38 PolarHBondContact O-N 3.42Å; S35-L39 VanDerWaalsContact O-CB 3.24Å; S35-L39 WeakPolarHBondContact O-CB 3.47Å; S35-L39 PolarHBondContact O-N 2.93Å; S35-D87 PolarHBondContact N-O 3.33Å; S35-D87 VanDerWaalsContact N-O 3.09Å; S35-D87 PolarHBondContact OG-O 3.18Å; S35-G88 VanDerWaalsContact OG-C 3.23Å; S35-G88 PolarHBondContact OG-O 3.25Å
36G88.1Confident91.8Very high15 Ų1555.6 Ų55.616%0.15531%0.314CS..Hα-helixtrans-65.8-31.7176.100000113.2S34 R40S34-G36 PolarHBondContact O-N 2.7Å; G36-R40 WeakPolarHBondContact O-CG 3.48Å; G36-R40 VanDerWaalsContact O-CZ 3.26Å; G36-R40 PolarHBondContact O-N 3.39Å; G36-R40 PolarHBondContact O-NH1 3.28Å
37H88.7Confident91.9Very high98 Ų9850.4 Ų50.445%0.45429%0.294SS..Hα-helixtrans-69-52174.8175.269.5000110.9S34 S35 L39 R40 E41S34-H37 WeakPolarHBondContact O-CB 3.41Å; S34-H37 PolarHBondContact O-N 2.71Å; S35-H37 VanDerWaalsContact C-N 3.3Å; S35-H37 PolarHBondContact O-N 3Å; H37-L39 VanDerWaalsContact C-N 3.26Å; H37-L39 PolarHBondContact O-N 2.94Å; H37-R40 PolarHBondContact O-N 3.36Å; H37-R40 VanDerWaalsContact O-N 3.09Å; H37-E41 IonicContact NE2-OE2 3.43Å; H37-E41 PolarHBondContact O-N 3.25Å
38F90.3Very high92.1Very high24 Ų2455 Ų5511%0.10531%0.309CS..Hα-helixtrans-65.1-30.1179.6-64.8-54.7000113.5L33 S34 S35 E41 G42 M72 K75L33-F38 HydrophobicContact CB-CE2 3.66Å; L33-F38 HydrophobicContact CB-CZ 4.33Å; L33-F38 HydrophobicContact CD2-CE2 3.54Å; L33-F38 HydrophobicContact CD2-CZ 3.81Å; L33-F38 HydrophobicContact CG-CE2 3.75Å; L33-F38 HydrophobicContact CG-CZ 3.98Å; S34-F38 VanDerWaalsContact O-CD2 3.28Å; S34-F38 WeakPolarHBondContact O-CD2 3.5Å; S34-F38 PolarHBondContact O-N 3.01Å; S34-F38 VanDerWaalsContact O-N 3.12Å; S35-F38 PolarHBondContact O-N 3.42Å; F38-E41 VanDerWaalsContact CD1-OE2 3.29Å; F38-E41 WeakPolarHBondContact CD1-OE2 3.27Å; F38-G42 PolarHBondContact O-N 2.79Å; F38-M72 HydrophobicContact CB-SD 4.33Å; F38-M72 HydrophobicContact CD2-CE 4Å; F38-M72 HydrophobicContact CD2-SD 3.71Å; F38-M72 HydrophobicContact CE2-CE 4.33Å; F38-M72 HydrophobicContact CG-SD 4.44Å; F38-K75 HydrophobicContact CD1-CD 4.18Å; F38-K75 HydrophobicContact CD1-CG 4.09Å; F38-K75 HydrophobicContact CE1-CD 4.1Å; F38-K75 HydrophobicContact CE1-CG 4.22Å; F38-K75 HydrophobicContact CG-CG 4.41Å
39L90.9Very high92.4Very high30 Ų3054.2 Ų54.216%0.15731%0.309CS..Hα-helixtrans-60.5-49.5170.8-175.165.4000111.3S35 H37 G42 I43 A53 I57 L71S35-L39 VanDerWaalsContact O-CB 3.24Å; S35-L39 WeakPolarHBondContact O-CB 3.47Å; S35-L39 PolarHBondContact O-N 2.93Å; H37-L39 VanDerWaalsContact C-N 3.26Å; H37-L39 PolarHBondContact O-N 2.94Å; L39-G42 PolarHBondContact O-N 3.25Å; L39-I43 HydrophobicContact CG-CD1 4.33Å; L39-I43 VanDerWaalsContact O-CG1 3.27Å; L39-I43 WeakPolarHBondContact O-CG1 3.4Å; L39-I43 PolarHBondContact O-N 2.98Å; L39-I43 VanDerWaalsContact O-N 3.08Å; L39-A53 HydrophobicContact CD1-CB 3.46Å; L39-A53 VanDerWaalsContact CD1-CB 3.46Å; L39-I57 HydrophobicContact CD1-CD1 4.21Å; L39-I57 HydrophobicContact CD2-CD1 3.84Å; L39-I57 HydrophobicContact CG-CD1 4.12Å; L39-L71 HydrophobicContact CD1-CD1 3.62Å
40R89Confident92.5Very high105 Ų10551.1 Ų51.140%0.39628%0.276SS..Hα-helixtrans-66.4-42.5177.8-72.9-172-63.8-83.14.4112.2G36 H37 G42 I43 A44G36-R40 WeakPolarHBondContact O-CG 3.48Å; G36-R40 VanDerWaalsContact O-CZ 3.26Å; G36-R40 PolarHBondContact O-N 3.39Å; G36-R40 PolarHBondContact O-NH1 3.28Å; H37-R40 PolarHBondContact O-N 3.36Å; H37-R40 VanDerWaalsContact O-N 3.09Å; R40-G42 VanDerWaalsContact C-N 3.35Å; R40-I43 PolarHBondContact O-N 3.02Å; R40-A44 WeakPolarHBondContact O-CB 3.48Å; R40-A44 PolarHBondContact O-N 2.81Å
41E90.9Very high92.7Very high72 Ų7254.2 Ų54.234%0.33629%0.292SS..Hα-helixtrans-58.8-47.2175.4-171.7-164.6145.400110.8H37 F38 I43 A44 A45 K75H37-E41 IonicContact NE2-OE2 3.43Å; H37-E41 PolarHBondContact O-N 3.25Å; F38-E41 VanDerWaalsContact CD1-OE2 3.29Å; F38-E41 WeakPolarHBondContact CD1-OE2 3.27Å; E41-I43 VanDerWaalsContact C-N 3.33Å; E41-I43 PolarHBondContact O-N 3.19Å; E41-A44 PolarHBondContact O-N 3.23Å; E41-A45 VanDerWaalsContact O-CB 3.29Å; E41-A45 WeakPolarHBondContact O-CB 3.32Å; E41-A45 PolarHBondContact O-N 2.82Å; E41-K75 IonicContact OE1-NZ 2.9Å; E41-K75 PolarHBondContact OE1-NZ 2.88Å; E41-K75 IonicContact OE2-NZ 3.79Å
42G91.8Very high92.6Very high6 Ų653.1 Ų53.16%0.06229%0.288CS..Hα-helixtrans-63.2-36.6179.300000113.4F38 L39 R40 N46 T47F38-G42 PolarHBondContact O-N 2.79Å; L39-G42 PolarHBondContact O-N 3.25Å; R40-G42 VanDerWaalsContact C-N 3.35Å; G42-N46 PolarHBondContact O-N 3.03Å; G42-T47 WeakPolarHBondContact CA-OG1 3.44Å; G42-T47 PolarHBondContact O-N 3.36Å; G42-T47 PolarHBondContact O-OG1 3.31Å
43I93Very high92.5Very high38 Ų3849.6 Ų49.620%0.19527%0.274CS..Hα-helixtrans-66.9-49.7173.1-68.7165.5000110.3L39 R40 E41 A45 N46 G50 K54 I57L39-I43 HydrophobicContact CG-CD1 4.33Å; L39-I43 VanDerWaalsContact O-CG1 3.27Å; L39-I43 WeakPolarHBondContact O-CG1 3.4Å; L39-I43 PolarHBondContact O-N 2.98Å; L39-I43 VanDerWaalsContact O-N 3.08Å; R40-I43 PolarHBondContact O-N 3.02Å; E41-I43 VanDerWaalsContact C-N 3.33Å; E41-I43 PolarHBondContact O-N 3.19Å; I43-A45 VanDerWaalsContact C-N 3.28Å; I43-A45 PolarHBondContact O-N 3.31Å; I43-N46 PolarHBondContact O-N 2.99Å; I43-G50 VanDerWaalsContact CG1-O 3.3Å; I43-G50 WeakPolarHBondContact CG1-O 3.34Å; I43-K54 HydrophobicContact CD1-CB 4.38Å; I43-K54 HydrophobicContact CG1-CB 4.2Å; I43-K54 HydrophobicContact CG2-CD 4.15Å; I43-K54 HydrophobicContact CG2-CG 4.24Å; I43-I57 HydrophobicContact CD1-CD1 3.83Å
44A91.9Very high92.4Very high80 Ų8052.8 Ų52.866%0.66129%0.288SS*.Hα-helixtrans-62.4-35.8-179.200000112.5R40 E41 N46R40-A44 WeakPolarHBondContact O-CB 3.48Å; R40-A44 PolarHBondContact O-N 2.81Å; E41-A44 PolarHBondContact O-N 3.23Å; A44-N46 VanDerWaalsContact C-N 3.27Å; A44-N46 PolarHBondContact O-N 2.84Å
45A93.4Very high92.5Very high66 Ų6654.6 Ų54.655%0.54530%0.299SS..THydrogen-bonded Turntrans-82.93.7177.200000113.8E41 I43 T47E41-A45 VanDerWaalsContact O-CB 3.29Å; E41-A45 WeakPolarHBondContact O-CB 3.32Å; E41-A45 PolarHBondContact O-N 2.82Å; I43-A45 VanDerWaalsContact C-N 3.28Å; I43-A45 PolarHBondContact O-N 3.31Å; A45-T47 HydrophobicContact CB-CG2 4.07Å; A45-T47 PolarHBondContact O-N 2.84Å; A45-T47 VanDerWaalsContact O-N 3.16Å
46N95.1Very high92.6Very high117 Ų11757.9 Ų57.963%0.62631%0.311SS*.THydrogen-bonded Turntrans51.734.7-177.7-60.4-61.1000114G42 I43 A44 M51G42-N46 PolarHBondContact O-N 3.03Å; I43-N46 PolarHBondContact O-N 2.99Å; A44-N46 VanDerWaalsContact C-N 3.27Å; A44-N46 PolarHBondContact O-N 2.84Å; N46-M51 HydrophobicContact CB-CG 4.42Å; N46-M51 HydrophobicContact CB-SD 4.33Å; N46-M51 PolarHBondContact OD1-SD 3.33Å
47T93.8Very high92.5Very high57 Ų5760.6 Ų60.635%0.3532%0.321SS..  trans-66.8152.1175.563.30000110.5G42 A45 A49 G50 M51G42-T47 WeakPolarHBondContact CA-OG1 3.44Å; G42-T47 PolarHBondContact O-N 3.36Å; G42-T47 PolarHBondContact O-OG1 3.31Å; A45-T47 HydrophobicContact CB-CG2 4.07Å; A45-T47 PolarHBondContact O-N 2.84Å; A45-T47 VanDerWaalsContact O-N 3.16Å; T47-A49 VanDerWaalsContact C-N 3.32Å; T47-A49 PolarHBondContact O-N 3.36Å; T47-G50 PolarHBondContact O-N 3.38Å; T47-G50 VanDerWaalsContact O-N 3.09Å; T47-G50 WeakPolarHBondContact OG1-CA 3.5Å; T47-G50 PolarHBondContact OG1-N 3.17Å; T47-M51 WeakPolarHBondContact O-CG 3.24Å; T47-M51 PolarHBondContact O-N 3.41Å
48E94.4Very high92.5Very high155 Ų15561 Ų6172%0.72433%0.327SS*.Hα-helixtrans-52.5-49.6178.3-172.9-165.6151.700111.9G50 M51 L52E48-G50 PolarHBondContact O-N 3.07Å; E48-M51 PolarHBondContact O-N 3.01Å; E48-L52 WeakPolarHBondContact O-CB 3.46Å; E48-L52 PolarHBondContact O-N 2.84Å
49A93.3Very high92.4Very high16 Ų1668.7 Ų68.713%0.13236%0.355CS..Hα-helixtrans-68.5-34.6179.600000112.6T47 A53 V67 R70 L71T47-A49 VanDerWaalsContact C-N 3.32Å; T47-A49 PolarHBondContact O-N 3.36Å; A49-A53 WeakPolarHBondContact O-CB 3.28Å; A49-A53 PolarHBondContact O-N 2.87Å; A49-V67 WeakPolarHBondContact O-CG1 3.37Å; A49-R70 HydrophobicContact CB-CB 4.26Å; A49-L71 HydrophobicContact CB-CD2 3.76Å; A49-L71 HydrophobicContact CB-CG 3.78Å
50G94.6Very high91.8Very high0 Ų070.8 Ų70.80%038%0.384CS..Hα-helixtrans-66.4-47.1175.400000112.3I43 T47 E48 L52 A53 K54I43-G50 VanDerWaalsContact CG1-O 3.3Å; I43-G50 WeakPolarHBondContact CG1-O 3.34Å; T47-G50 PolarHBondContact O-N 3.38Å; T47-G50 VanDerWaalsContact O-N 3.09Å; T47-G50 WeakPolarHBondContact OG1-CA 3.5Å; T47-G50 PolarHBondContact OG1-N 3.17Å; E48-G50 PolarHBondContact O-N 3.07Å; G50-L52 PolarHBondContact O-N 3.47Å; G50-A53 PolarHBondContact O-N 2.96Å; G50-K54 PolarHBondContact O-N 3.41Å
51M95.9Very high91.4Very high76 Ų7669.8 Ų69.837%0.37439%0.385SS..Hα-helixtrans-63.7-41.3176.7-67.6-51-63.800111.7N46 T47 E48 K54 T55N46-M51 HydrophobicContact CB-CG 4.42Å; N46-M51 HydrophobicContact CB-SD 4.33Å; N46-M51 PolarHBondContact OD1-SD 3.33Å; T47-M51 WeakPolarHBondContact O-CG 3.24Å; T47-M51 PolarHBondContact O-N 3.41Å; E48-M51 PolarHBondContact O-N 3.01Å; M51-K54 HydrophobicContact CE-CD 4.24Å; M51-K54 WeakPolarHBondContact O-CB 3.47Å; M51-K54 PolarHBondContact O-N 2.85Å; M51-T55 WeakPolarHBondContact O-CG2 3.26Å; M51-T55 PolarHBondContact O-N 3.04Å
52L94.9Very high90.9Very high64 Ų6472.1 Ų72.134%0.33540%0.399SS..Hα-helixtrans-60.4-47.5173.4-177.657.2000110.9E48 G50 K54 T55 Y56 V67E48-L52 WeakPolarHBondContact O-CB 3.46Å; E48-L52 PolarHBondContact O-N 2.84Å; G50-L52 PolarHBondContact O-N 3.47Å; L52-K54 VanDerWaalsContact C-N 3.28Å; L52-K54 PolarHBondContact O-N 3.06Å; L52-T55 PolarHBondContact O-N 2.94Å; L52-T55 VanDerWaalsContact O-N 3.14Å; L52-T55 PolarHBondContact O-OG1 3.27Å; L52-Y56 HydrophobicContact CD1-CE2 3.86Å; L52-Y56 HydrophobicContact CG-CE2 4.18Å; L52-Y56 VanDerWaalsContact O-CD2 3.27Å; L52-Y56 WeakPolarHBondContact O-CD2 3.43Å; L52-V67 HydrophobicContact CB-CG1 4.41Å; L52-V67 HydrophobicContact CD2-CG1 4.41Å; L52-V67 HydrophobicContact CD2-CG2 3.52Å; L52-V67 HydrophobicContact CG-CG1 4.35Å; L52-V67 HydrophobicContact CG-CG2 3.9Å
53A93.3Very high90.9Very high0 Ų073.3 Ų73.30%041%0.405CS..Hα-helixtrans-59.9-39.2176.800000112.5L39 A49 G50 T55 Y56 I57 V63 V67 L71L39-A53 HydrophobicContact CD1-CB 3.46Å; L39-A53 VanDerWaalsContact CD1-CB 3.46Å; A49-A53 WeakPolarHBondContact O-CB 3.28Å; A49-A53 PolarHBondContact O-N 2.87Å; G50-A53 PolarHBondContact O-N 2.96Å; A53-T55 VanDerWaalsContact C-N 3.26Å; A53-T55 PolarHBondContact O-N 3.38Å; A53-Y56 PolarHBondContact O-N 3.06Å; A53-Y56 VanDerWaalsContact O-N 3.11Å; A53-I57 HydrophobicContact CB-CD1 4.47Å; A53-I57 VanDerWaalsContact O-CG1 3.32Å; A53-I57 WeakPolarHBondContact O-CG1 3.31Å; A53-I57 PolarHBondContact O-N 2.79Å; A53-V63 HydrophobicContact CB-CG1 3.89Å; A53-V63 HydrophobicContact CB-CG2 4.1Å; A53-V67 HydrophobicContact CB-CG1 3.84Å; A53-L71 HydrophobicContact CB-CD1 4.4Å
54K93.3Very high90.9Very high69 Ų6973.6 Ų73.630%0.341%0.41SS..Hα-helixtrans-55.1-41.7175.6-160.5-167.1-178.4-52.80111.7I43 G50 M51 L52 Y56 I57 D58I43-K54 HydrophobicContact CD1-CB 4.38Å; I43-K54 HydrophobicContact CG1-CB 4.2Å; I43-K54 HydrophobicContact CG2-CD 4.15Å; I43-K54 HydrophobicContact CG2-CG 4.24Å; G50-K54 PolarHBondContact O-N 3.41Å; M51-K54 HydrophobicContact CE-CD 4.24Å; M51-K54 WeakPolarHBondContact O-CB 3.47Å; M51-K54 PolarHBondContact O-N 2.85Å; L52-K54 VanDerWaalsContact C-N 3.28Å; L52-K54 PolarHBondContact O-N 3.06Å; K54-Y56 VanDerWaalsContact C-N 3.26Å; K54-Y56 PolarHBondContact O-N 2.67Å; K54-I57 PolarHBondContact O-N 2.68Å; K54-D58 IonicContact NZ-OD1 3.22Å; K54-D58 PolarHBondContact NZ-OD1 2.87Å; K54-D58 IonicContact NZ-OD2 3.41Å; K54-D58 PolarHBondContact NZ-OD2 2.96Å; K54-D58 WeakPolarHBondContact O-CB 3.46Å; K54-D58 PolarHBondContact O-N 3.15Å
55T95Very high91Very high57 Ų5772 Ų7235%0.3539%0.39SS..Hα-helixtrans-60.6-32.7179.370.40000113.7M51 L52 A53 R59M51-T55 WeakPolarHBondContact O-CG2 3.26Å; M51-T55 PolarHBondContact O-N 3.04Å; L52-T55 PolarHBondContact O-N 2.94Å; L52-T55 VanDerWaalsContact O-N 3.14Å; L52-T55 PolarHBondContact O-OG1 3.27Å; A53-T55 VanDerWaalsContact C-N 3.26Å; A53-T55 PolarHBondContact O-N 3.38Å; T55-R59 WeakPolarHBondContact O-CD 3.34Å; T55-R59 VanDerWaalsContact O-CG 3.3Å; T55-R59 WeakPolarHBondContact O-CG 3.19Å
56Y92.2Very high91.1Very high71 Ų7175.7 Ų75.728%0.27840%0.396SS..Hα-helixtrans-77.5-45.9175.6-69.8-90.4000110.7L52 A53 K54 D58 R59 G60 M61 P64L52-Y56 HydrophobicContact CD1-CE2 3.86Å; L52-Y56 HydrophobicContact CG-CE2 4.18Å; L52-Y56 VanDerWaalsContact O-CD2 3.27Å; L52-Y56 WeakPolarHBondContact O-CD2 3.43Å; A53-Y56 PolarHBondContact O-N 3.06Å; A53-Y56 VanDerWaalsContact O-N 3.11Å; K54-Y56 VanDerWaalsContact C-N 3.26Å; K54-Y56 PolarHBondContact O-N 2.67Å; Y56-D58 PolarHBondContact O-N 3.2Å; Y56-R59 CarbonylContact O-C 3.57Å; Y56-R59 PolarHBondContact O-N 2.82Å; Y56-R59 VanDerWaalsContact O-N 3.12Å; Y56-G60 PolarHBondContact O-N 3.34Å; Y56-M61 CarbonylContact C-O 3.54Å; Y56-M61 HydrophobicContact CD1-CB 4.07Å; Y56-M61 HydrophobicContact CD1-CE 3.6Å; Y56-M61 HydrophobicContact CE1-CE 4.05Å; Y56-M61 HydrophobicContact CG-CE 4.33Å; Y56-M61 WeakPolarHBondContact O-CA 3.35Å; Y56-M61 WeakPolarHBondContact O-CB 3.31Å; Y56-M61 PolarHBondContact O-N 3.09Å; Y56-P64 HydrophobicContact CD1-CG 4.05Å; Y56-P64 HydrophobicContact CD2-CG 4.25Å; Y56-P64 HydrophobicContact CE1-CG 3.61Å; Y56-P64 HydrophobicContact CE2-CG 3.83Å; Y56-P64 HydrophobicContact CG-CG 4.38Å
57I87.8Confident91Very high72 Ų7270.5 Ų70.537%0.36937%0.368SS..Hα-helixtrans-60.6-46.4-178.5-64.7162.9000111.2L39 I43 A53 K54 R59 G60 V63L39-I57 HydrophobicContact CD1-CD1 4.21Å; L39-I57 HydrophobicContact CD2-CD1 3.84Å; L39-I57 HydrophobicContact CG-CD1 4.12Å; I43-I57 HydrophobicContact CD1-CD1 3.83Å; A53-I57 HydrophobicContact CB-CD1 4.47Å; A53-I57 VanDerWaalsContact O-CG1 3.32Å; A53-I57 WeakPolarHBondContact O-CG1 3.31Å; A53-I57 PolarHBondContact O-N 2.79Å; K54-I57 PolarHBondContact O-N 2.68Å; I57-R59 PolarHBondContact O-N 2.87Å; I57-R59 VanDerWaalsContact O-N 3.15Å; I57-G60 PolarHBondContact O-N 3.44Å; I57-V63 HydrophobicContact CD1-CG2 4.04Å; I57-V63 HydrophobicContact CG1-CG2 3.75Å
58D87.6Confident91.1Very high106 Ų10668.5 Ų68.557%0.56736%0.355SS*.THydrogen-bonded Turntrans-61.3-24.7179.7-68.5-14000112.3K54 Y56K54-D58 IonicContact NZ-OD1 3.22Å; K54-D58 PolarHBondContact NZ-OD1 2.87Å; K54-D58 IonicContact NZ-OD2 3.41Å; K54-D58 PolarHBondContact NZ-OD2 2.96Å; K54-D58 WeakPolarHBondContact O-CB 3.46Å; K54-D58 PolarHBondContact O-N 3.15Å; Y56-D58 PolarHBondContact O-N 3.2Å
59R88.3Confident91.1Very high185 Ų18562 Ų6270%0.69833%0.326SS*.THydrogen-bonded Turntrans-93.55.8177.2-65.4175.4-176.5-1794.1113T55 Y56 I57 M61T55-R59 WeakPolarHBondContact O-CD 3.34Å; T55-R59 VanDerWaalsContact O-CG 3.3Å; T55-R59 WeakPolarHBondContact O-CG 3.19Å; Y56-R59 CarbonylContact O-C 3.57Å; Y56-R59 PolarHBondContact O-N 2.82Å; Y56-R59 VanDerWaalsContact O-N 3.12Å; I57-R59 PolarHBondContact O-N 2.87Å; I57-R59 VanDerWaalsContact O-N 3.15Å; R59-M61 HydrophobicContact CB-CE 3.89Å; R59-M61 HydrophobicContact CB-CG 3.98Å; R59-M61 HydrophobicContact CB-SD 4.42Å; R59-M61 VanDerWaalsContact CD-CE 3.48Å; R59-M61 HydrophobicContact CG-CE 4.33Å; R59-M61 PolarHBondContact O-N 3.44Å
60G78.3Confident91.1Very high75 Ų7568.3 Ų68.377%0.77335%0.347SS*.THydrogen-bonded Turntrans65.818-173.900000113.7Y56 I57Y56-G60 PolarHBondContact O-N 3.34Å; I57-G60 PolarHBondContact O-N 3.44Å
61M81.7Confident91Very high83 Ų8369.1 Ų69.141%0.40935%0.351SS..PPolyproline II helixtrans-93152.2-180-60.5-170-58.500111.2Y56 R59Y56-M61 CarbonylContact C-O 3.54Å; Y56-M61 HydrophobicContact CD1-CB 4.07Å; Y56-M61 HydrophobicContact CD1-CE 3.6Å; Y56-M61 HydrophobicContact CE1-CE 4.05Å; Y56-M61 HydrophobicContact CG-CE 4.33Å; Y56-M61 WeakPolarHBondContact O-CA 3.35Å; Y56-M61 WeakPolarHBondContact O-CB 3.31Å; Y56-M61 PolarHBondContact O-N 3.09Å; R59-M61 HydrophobicContact CB-CE 3.89Å; R59-M61 HydrophobicContact CB-CG 3.98Å; R59-M61 HydrophobicContact CB-SD 4.42Å; R59-M61 VanDerWaalsContact CD-CE 3.48Å; R59-M61 HydrophobicContact CG-CE 4.33Å; R59-M61 PolarHBondContact O-N 3.44Å
62L80.3Confident90.9Very high121 Ų12165.5 Ų65.563%0.63433%0.333SS*.PPolyproline II helixtrans-68.3137.3173-66.3168000110.5P64 H172L62-P64 WeakPolarHBondContact O-CD 3.36Å; L62-H172 WeakPolarHBondContact CD1-NE2 3.24Å
63V90.4Very high90.9Very high31 Ų3163.9 Ų63.919%0.18833%0.325CS..PPolyproline II helixtrans-67.4125174.1179.70000108.9A53 I57 V67A53-V63 HydrophobicContact CB-CG1 3.89Å; A53-V63 HydrophobicContact CB-CG2 4.1Å; I57-V63 HydrophobicContact CD1-CG2 4.04Å; I57-V63 HydrophobicContact CG1-CG2 3.75Å; V63-V67 HydrophobicContact CG1-CB 3.78Å; V63-V67 HydrophobicContact CG1-CG1 3.84Å
64P93.4Very high90.9Very high45 Ų4567.3 Ų67.329%0.29235%0.347SS..PPolyproline II helixtrans-62149.8-179.4-22.932.1000113.1Y56 L62 Q66 V67 M68Y56-P64 HydrophobicContact CD1-CG 4.05Å; Y56-P64 HydrophobicContact CD2-CG 4.25Å; Y56-P64 HydrophobicContact CE1-CG 3.61Å; Y56-P64 HydrophobicContact CE2-CG 3.83Å; Y56-P64 HydrophobicContact CG-CG 4.38Å; L62-P64 WeakPolarHBondContact O-CD 3.36Å; P64-Q66 VanDerWaalsContact C-N 3.26Å; P64-Q66 PolarHBondContact O-N 3.44Å; P64-V67 HydrophobicContact CB-CG2 4.17Å; P64-V67 HydrophobicContact CG-CG2 4.24Å; P64-V67 WeakPolarHBondContact O-CB 3.47Å; P64-V67 PolarHBondContact O-N 3.44Å; P64-M68 PolarHBondContact O-N 2.89Å; P64-M68 VanDerWaalsContact O-N 3.09Å
65D94.5Very high90.9Very high47 Ų4766.8 Ų66.825%0.25135%0.345SS..Hα-helixtrans-55.6-39.1-177.2-73.8-20.5000113.6V67 M68 T69 T92 A94 Q95D65-V67 VanDerWaalsContact C-N 3.31Å; D65-V67 PolarHBondContact O-N 3.02Å; D65-M68 PolarHBondContact O-N 2.85Å; D65-T69 VanDerWaalsContact O-CB 3.25Å; D65-T69 WeakPolarHBondContact O-CB 3.12Å; D65-T69 PolarHBondContact O-N 3.2Å; D65-T69 PolarHBondContact O-OG1 3.48Å; D65-T92 WeakPolarHBondContact OD1-CG2 3.26Å; D65-T92 PolarHBondContact OD1-OG1 2.88Å; D65-T92 WeakPolarHBondContact OD2-CB 3.35Å; D65-T92 PolarHBondContact OD2-OG1 3.01Å; D65-A94 HydrophobicContact CB-CB 4.37Å; D65-Q95 HydrophobicContact CB-CG 4Å; D65-Q95 PolarHBondContact OD1-NE2 3.03Å
66Q94.4Very high90.9Very high143 Ų14364 Ų6467%0.66833%0.328SS*.Hα-helixtrans-63.3-38.2177.9-66.2-1750.600111.9P64 T69 R70P64-Q66 VanDerWaalsContact C-N 3.26Å; P64-Q66 PolarHBondContact O-N 3.44Å; Q66-T69 PolarHBondContact O-N 3.16Å; Q66-R70 WeakPolarHBondContact O-CB 3.29Å; Q66-R70 VanDerWaalsContact O-CG 3.25Å; Q66-R70 WeakPolarHBondContact O-CG 3.38Å; Q66-R70 PolarHBondContact O-N 3.05Å
67V94.6Very high91Very high7 Ų765 Ų654%0.04234%0.335CS..Hα-helixtrans-68.7-46.2178.2-174.70000109.9A49 L52 A53 V63 P64 D65 T69 R70 L71A49-V67 WeakPolarHBondContact O-CG1 3.37Å; L52-V67 HydrophobicContact CB-CG1 4.41Å; L52-V67 HydrophobicContact CD2-CG1 4.41Å; L52-V67 HydrophobicContact CD2-CG2 3.52Å; L52-V67 HydrophobicContact CG-CG1 4.35Å; L52-V67 HydrophobicContact CG-CG2 3.9Å; A53-V67 HydrophobicContact CB-CG1 3.84Å; V63-V67 HydrophobicContact CG1-CB 3.78Å; V63-V67 HydrophobicContact CG1-CG1 3.84Å; P64-V67 HydrophobicContact CB-CG2 4.17Å; P64-V67 HydrophobicContact CG-CG2 4.24Å; P64-V67 WeakPolarHBondContact O-CB 3.47Å; P64-V67 PolarHBondContact O-N 3.44Å; D65-V67 VanDerWaalsContact C-N 3.31Å; D65-V67 PolarHBondContact O-N 3.02Å; V67-T69 VanDerWaalsContact C-N 3.3Å; V67-T69 PolarHBondContact O-N 2.75Å; V67-R70 PolarHBondContact O-N 3.48Å; V67-L71 HydrophobicContact CG1-CD1 4.42Å; V67-L71 WeakPolarHBondContact O-CG 3.23Å; V67-L71 PolarHBondContact O-N 2.81Å
68M94.3Very high91.3Very high15 Ų1568.3 Ų68.37%0.07435%0.349CS..Hα-helixtrans-61.5-40.1177-166.968.5-115.300111.8P64 D65 L71 M72 F89P64-M68 PolarHBondContact O-N 2.89Å; P64-M68 VanDerWaalsContact O-N 3.09Å; D65-M68 PolarHBondContact O-N 2.85Å; M68-L71 HydrophobicContact CE-CB 4.23Å; M68-L71 HydrophobicContact CE-CD1 4.48Å; M68-L71 WeakPolarHBondContact O-CB 3.29Å; M68-L71 PolarHBondContact O-N 3.07Å; M68-M72 HydrophobicContact CE-CG 3.39Å; M68-M72 HydrophobicContact CE-SD 3.62Å; M68-M72 WeakPolarHBondContact O-CG 3.39Å; M68-M72 PolarHBondContact O-N 3.35Å; M68-F89 HydrophobicContact CG-CD2 3.81Å; M68-F89 HydrophobicContact CG-CE2 4.01Å
69T94.7Very high91.7Very high19 Ų1964.9 Ų64.912%0.11733%0.33CS..Hα-helixtrans-66.8-43.3177.9-57.80000111.4D65 Q66 V67 L71 M72 L73 A98D65-T69 VanDerWaalsContact O-CB 3.25Å; D65-T69 WeakPolarHBondContact O-CB 3.12Å; D65-T69 PolarHBondContact O-N 3.2Å; D65-T69 PolarHBondContact O-OG1 3.48Å; Q66-T69 PolarHBondContact O-N 3.16Å; V67-T69 VanDerWaalsContact C-N 3.3Å; V67-T69 PolarHBondContact O-N 2.75Å; T69-L71 PolarHBondContact O-N 3.03Å; T69-M72 PolarHBondContact O-N 3.15Å; T69-L73 HydrophobicContact CG2-CD1 3.31Å; T69-L73 HydrophobicContact CG2-CG 3.68Å; T69-L73 WeakPolarHBondContact O-CG 3.46Å; T69-L73 PolarHBondContact O-N 3.22Å; T69-A98 HydrophobicContact CG2-CB 3.71Å
70R93.4Very high91.9Very high148 Ų14862.8 Ų62.856%0.55832%0.322SS*.Hα-helixtrans-62-28.3174.1-75.7177-175.4-167.13.4113.1A49 Q66 V67 P74A49-R70 HydrophobicContact CB-CB 4.26Å; Q66-R70 WeakPolarHBondContact O-CB 3.29Å; Q66-R70 VanDerWaalsContact O-CG 3.25Å; Q66-R70 WeakPolarHBondContact O-CG 3.38Å; Q66-R70 PolarHBondContact O-N 3.05Å; V67-R70 PolarHBondContact O-N 3.48Å; R70-P74 WeakPolarHBondContact O-CD 3.42Å; R70-P74 WeakPolarHBondContact O-CG 3.48Å
71L92.3Very high92.6Very high17 Ų1764.6 Ų64.69%0.08931%0.314CS..Hα-helixtrans-75.9-42.9173.2-75.1163.7000112.3L39 A49 A53 V67 M68 T69L39-L71 HydrophobicContact CD1-CD1 3.62Å; A49-L71 HydrophobicContact CB-CD2 3.76Å; A49-L71 HydrophobicContact CB-CG 3.78Å; A53-L71 HydrophobicContact CB-CD1 4.4Å; V67-L71 HydrophobicContact CG1-CD1 4.42Å; V67-L71 WeakPolarHBondContact O-CG 3.23Å; V67-L71 PolarHBondContact O-N 2.81Å; M68-L71 HydrophobicContact CE-CB 4.23Å; M68-L71 HydrophobicContact CE-CD1 4.48Å; M68-L71 WeakPolarHBondContact O-CB 3.29Å; M68-L71 PolarHBondContact O-N 3.07Å; T69-L71 PolarHBondContact O-N 3.03Å
72M94.9Very high93.2Very high0 Ų064.9 Ų64.90%032%0.315CS..Hα-helixtrans-83.6-45-170.4-68.1-60.7-61.400114.2L33 F38 M68 T69 K75 L76 L86 F89L33-M72 HydrophobicContact CB-CE 4.47Å; F38-M72 HydrophobicContact CB-SD 4.33Å; F38-M72 HydrophobicContact CD2-CE 4Å; F38-M72 HydrophobicContact CD2-SD 3.71Å; F38-M72 HydrophobicContact CE2-CE 4.33Å; F38-M72 HydrophobicContact CG-SD 4.44Å; M68-M72 HydrophobicContact CE-CG 3.39Å; M68-M72 HydrophobicContact CE-SD 3.62Å; M68-M72 WeakPolarHBondContact O-CG 3.39Å; M68-M72 PolarHBondContact O-N 3.35Å; T69-M72 PolarHBondContact O-N 3.15Å; M72-K75 PolarHBondContact O-N 2.86Å; M72-L76 PolarHBondContact O-N 2.87Å; M72-L76 VanDerWaalsContact O-N 3.12Å; M72-L86 HydrophobicContact CE-CD2 3.85Å; M72-F89 HydrophobicContact CB-CD1 4.34Å; M72-F89 HydrophobicContact CB-CD2 4.39Å; M72-F89 HydrophobicContact CB-CE1 4.21Å; M72-F89 HydrophobicContact CB-CE2 4.25Å; M72-F89 HydrophobicContact CB-CG 4.43Å; M72-F89 HydrophobicContact CB-CZ 4.17Å; M72-F89 HydrophobicContact CE-CB 4.15Å; M72-F89 HydrophobicContact CE-CG 4.38Å; M72-F89 HydrophobicContact CG-CB 4.38Å; M72-F89 HydrophobicContact CG-CD1 4.27Å; M72-F89 HydrophobicContact CG-CD2 3.76Å; M72-F89 HydrophobicContact CG-CE2 4.03Å; M72-F89 HydrophobicContact CG-CG 3.89Å; M72-F89 HydrophobicContact CG-CZ 4.41Å
73L94.5Very high94Very high30 Ų3060.5 Ų60.516%0.15729%0.294CS..Hα-helixtrans-63.4-41.5-170.5-62.6-175.3000113.6T69 K75 L76 E77 L99 L102T69-L73 HydrophobicContact CG2-CD1 3.31Å; T69-L73 HydrophobicContact CG2-CG 3.68Å; T69-L73 WeakPolarHBondContact O-CG 3.46Å; T69-L73 PolarHBondContact O-N 3.22Å; L73-K75 VanDerWaalsContact C-N 3.27Å; L73-K75 PolarHBondContact O-N 2.89Å; L73-L76 HydrophobicContact CD2-CD1 4.24Å; L73-L76 PolarHBondContact O-N 2.83Å; L73-L76 VanDerWaalsContact O-N 3.13Å; L73-E77 PolarHBondContact O-N 3.46Å; L73-L99 HydrophobicContact CD2-CD1 4.36Å; L73-L102 HydrophobicContact CB-CD1 4.39Å; L73-L102 HydrophobicContact CD1-CD1 3.76Å; L73-L102 HydrophobicContact CD2-CD1 4.17Å; L73-L102 HydrophobicContact CG-CD1 4.32Å
74P93.3Very high94.3Very high72 Ų7259 Ų5947%0.46829%0.285SS..Hα-helixtrans-61.2-34.9176.3-25.436.5000113.3R70 E77 Q78R70-P74 WeakPolarHBondContact O-CD 3.42Å; R70-P74 WeakPolarHBondContact O-CG 3.48Å; P74-E77 PolarHBondContact O-N 3.12Å; P74-Q78 WeakPolarHBondContact O-CG 3.39Å; P74-Q78 PolarHBondContact O-N 3.17Å
75K93Very high94.5Very high58 Ų5856.9 Ų56.925%0.25227%0.271SS..Hα-helixtrans-68.8-37.2176.2-65.5-70.8-174.6164.90111.5L33 F38 E41 M72 L73 Q78 L79L33-K75 HydrophobicContact CD2-CB 4.48Å; F38-K75 HydrophobicContact CD1-CD 4.18Å; F38-K75 HydrophobicContact CD1-CG 4.09Å; F38-K75 HydrophobicContact CE1-CD 4.1Å; F38-K75 HydrophobicContact CE1-CG 4.22Å; F38-K75 HydrophobicContact CG-CG 4.41Å; E41-K75 IonicContact OE1-NZ 2.9Å; E41-K75 PolarHBondContact OE1-NZ 2.88Å; E41-K75 IonicContact OE2-NZ 3.79Å; M72-K75 PolarHBondContact O-N 2.86Å; L73-K75 VanDerWaalsContact C-N 3.27Å; L73-K75 PolarHBondContact O-N 2.89Å; K75-Q78 PolarHBondContact O-N 3.34Å; K75-L79 WeakPolarHBondContact O-CG 3.46Å; K75-L79 PolarHBondContact O-N 3.46Å
76L95.2Very high94.6Very high0 Ų054.7 Ų54.70%026%0.259CS..Hα-helixtrans-67.3-36174.7-72.5171.4000112.4L33 M72 L73 Q78 L79 R80 W84 L86 L99 Y103L33-L76 HydrophobicContact CD1-CD2 4.4Å; L33-L76 HydrophobicContact CD2-CD2 3.84Å; L33-L76 HydrophobicContact CD2-CG 4.37Å; M72-L76 PolarHBondContact O-N 2.87Å; M72-L76 VanDerWaalsContact O-N 3.12Å; L73-L76 HydrophobicContact CD2-CD1 4.24Å; L73-L76 PolarHBondContact O-N 2.83Å; L73-L76 VanDerWaalsContact O-N 3.13Å; L76-Q78 VanDerWaalsContact C-N 3.33Å; L76-Q78 PolarHBondContact O-N 2.93Å; L76-L79 CarbonylContact O-C 3.56Å; L76-L79 VanDerWaalsContact O-C 3.29Å; L76-L79 WeakPolarHBondContact O-CA 3.36Å; L76-L79 PolarHBondContact O-N 2.88Å; L76-R80 PolarHBondContact O-N 3.01Å; L76-R80 VanDerWaalsContact O-N 3.12Å; L76-W84 HydrophobicContact CD2-CD2 3.82Å; L76-W84 HydrophobicContact CD2-CE3 4.25Å; L76-W84 HydrophobicContact CD2-CG 4.19Å; L76-W84 HydrophobicContact CD2-CH2 4.4Å; L76-W84 HydrophobicContact CD2-CZ2 3.94Å; L76-L86 HydrophobicContact CD1-CD2 4.4Å; L76-L86 HydrophobicContact CD2-CD2 3.89Å; L76-L99 HydrophobicContact CD1-CD1 3.62Å; L76-Y103 HydrophobicContact CB-CE2 3.74Å; L76-Y103 HydrophobicContact CD1-CD2 4.42Å; L76-Y103 HydrophobicContact CD1-CE2 4.2Å
77E94.4Very high94.6Very high90 Ų9048.1 Ų48.142%0.42123%0.229SC..Hα-helixtrans-64.4-39.1177.7-174.555.1-15300112L73 P74 L79 R80 Y103L73-E77 PolarHBondContact O-N 3.46Å; P74-E77 PolarHBondContact O-N 3.12Å; E77-L79 PolarHBondContact O-N 3.17Å; E77-L79 VanDerWaalsContact O-N 3.17Å; E77-R80 WeakPolarHBondContact O-CB 3.49Å; E77-R80 WeakPolarHBondContact O-CG 3.31Å; E77-R80 PolarHBondContact O-N 2.78Å; E77-R80 VanDerWaalsContact O-N 3.17Å; E77-R80 VanDerWaalsContact OE1-CD 3.26Å; E77-R80 WeakPolarHBondContact OE1-CD 3.45Å; E77-R80 IonicContact OE1-NH1 3.73Å; E77-R80 PolarHBondContact OE1-NH1 3.46Å; E77-Y103 VanDerWaalsContact CA-OH 3.31Å; E77-Y103 WeakPolarHBondContact CA-OH 3.44Å; E77-Y103 PolarHBondContact N-OH 2.96Å; E77-Y103 PolarHBondContact OE2-OH 2.7Å
78Q94.6Very high94.4Very high142 Ų14248.2 Ų48.266%0.66423%0.231SC*.Hα-helixtrans-60.7-24.3171.9-67.4174.6-1300112.6P74 K75 L76P74-Q78 WeakPolarHBondContact O-CG 3.39Å; P74-Q78 PolarHBondContact O-N 3.17Å; K75-Q78 PolarHBondContact O-N 3.34Å; L76-Q78 VanDerWaalsContact C-N 3.33Å; L76-Q78 PolarHBondContact O-N 2.93Å
79L94.7Very high94.4Very high34 Ų3447.5 Ų47.518%0.17823%0.227CC..THydrogen-bonded Turntrans-105.315.4-178.9-60.8179.1000113.2Q31 L33 K75 L76 E77 N81 H82Q31-L79 HydrophobicContact CB-CD1 4.07Å; Q31-L79 HydrophobicContact CG-CD1 4.49Å; Q31-L79 HydrophobicContact CG-CD2 4.28Å; L33-L79 HydrophobicContact CD1-CD1 3.73Å; L33-L79 HydrophobicContact CD2-CD1 3.83Å; L33-L79 HydrophobicContact CG-CD1 4.09Å; K75-L79 WeakPolarHBondContact O-CG 3.46Å; K75-L79 PolarHBondContact O-N 3.46Å; L76-L79 CarbonylContact O-C 3.56Å; L76-L79 VanDerWaalsContact O-C 3.29Å; L76-L79 WeakPolarHBondContact O-CA 3.36Å; L76-L79 PolarHBondContact O-N 2.88Å; E77-L79 PolarHBondContact O-N 3.17Å; E77-L79 VanDerWaalsContact O-N 3.17Å; L79-N81 PolarHBondContact O-N 3.43Å; L79-H82 PolarHBondContact O-N 3.37Å
80R92.6Very high94.5Very high141 Ų14146.7 Ų46.753%0.53222%0.222SC..THydrogen-bonded Turntrans-56.1-27-17672.8-176.9-147-1732.6114.5L4 R6 L76 E77L4-R80 WeakPolarHBondContact CD1-O 3.33Å; R6-R80 PolarHBondContact NH2-O 3.35Å; L76-R80 PolarHBondContact O-N 3.01Å; L76-R80 VanDerWaalsContact O-N 3.12Å; E77-R80 WeakPolarHBondContact O-CB 3.49Å; E77-R80 WeakPolarHBondContact O-CG 3.31Å; E77-R80 PolarHBondContact O-N 2.78Å; E77-R80 VanDerWaalsContact O-N 3.17Å; E77-R80 VanDerWaalsContact OE1-CD 3.26Å; E77-R80 WeakPolarHBondContact OE1-CD 3.45Å; E77-R80 IonicContact OE1-NH1 3.73Å; E77-R80 PolarHBondContact OE1-NH1 3.46Å
81N93.7Very high94.6Very high114 Ų11446 Ų4661%0.6122%0.22SC*.THydrogen-bonded Turntrans-94.64.6179.3-62.8-25.6000113.7L4 L79L4-N81 VanDerWaalsContact CD1-C 3.48Å; L4-N81 WeakPolarHBondContact CD2-O 3.36Å; L79-N81 PolarHBondContact O-N 3.43Å
82H94.8Very high94.8Very high89 Ų8945.9 Ų45.941%0.41222%0.22SC..SBendtrans-115.4151.9-179.1-62.988.3000110.5R6 Q31 L79R6-H82 VanDerWaalsContact CZ-O 3.26Å; R6-H82 PolarHBondContact NH1-O 3.14Å; R6-H82 PolarHBondContact NH2-O 2.88Å; Q31-H82 HydrophobicContact CG-CB 3.83Å; L79-H82 PolarHBondContact O-N 3.37Å
83S95.6Very high94.9Very high28 Ų2848.9 Ų48.920%0.19624%0.235CC..  trans-75.8138.1164.8-61.60000109.6L4 L5 Q31L4-S83 WeakPolarHBondContact CA-OG 3.28Å; L5-S83 PolarHBondContact N-OG 3.01Å; L5-S83 CarbonylContact O-C 3.52Å; L5-S83 VanDerWaalsContact O-CA 3.31Å; L5-S83 WeakPolarHBondContact O-CA 3.39Å; Q31-S83 PolarHBondContact N-O 3.42Å
84W97.1Very high95Very high0 Ų049.7 Ų49.70%025%0.246CC..EExtended strand (participates in β ladder)trans-141.2157.1-17351.1-111.4000114L5 R6 A7 Q31 L33 L76 L86 L99 Y103 M105L5-W84 PolarHBondContact O-N 3.38Å; R6-W84 HydrophobicContact CB-CH2 3.99Å; R6-W84 HydrophobicContact CB-CZ2 4.16Å; R6-W84 HydrophobicContact CB-CZ3 4.26Å; R6-W84 VanDerWaalsContact CD-NE1 3.31Å; R6-W84 HydrophobicContact CG-CZ2 4.21Å; A7-W84 PolarHBondContact N-O 3.41Å; Q31-W84 HydrophobicContact CB-CB 4.14Å; Q31-W84 CarbonylContact O-C 2.96Å; Q31-W84 VanDerWaalsContact O-CA 3.31Å; Q31-W84 WeakPolarHBondContact O-CA 3.47Å; L33-W84 HydrophobicContact CD1-CB 3.58Å; L33-W84 HydrophobicContact CD1-CG 4.35Å; L76-W84 HydrophobicContact CD2-CD2 3.82Å; L76-W84 HydrophobicContact CD2-CE3 4.25Å; L76-W84 HydrophobicContact CD2-CG 4.19Å; L76-W84 HydrophobicContact CD2-CH2 4.4Å; L76-W84 HydrophobicContact CD2-CZ2 3.94Å; W84-L86 HydrophobicContact CE3-CD1 4.18Å; W84-L86 HydrophobicContact CE3-CD2 4.34Å; W84-L86 HydrophobicContact CE3-CG 3.78Å; W84-L86 HydrophobicContact CH2-CD1 4.01Å; W84-L86 HydrophobicContact CH2-CG 4.5Å; W84-L86 HydrophobicContact CZ3-CD1 3.47Å; W84-L86 VanDerWaalsContact CZ3-CD1 3.47Å; W84-L86 HydrophobicContact CZ3-CD2 4.41Å; W84-L86 HydrophobicContact CZ3-CG 3.58Å; W84-L99 HydrophobicContact CH2-CD1 4.28Å; W84-Y103 HydrophobicContact CZ2-CD1 4.31Å; W84-Y103 HydrophobicContact CZ2-CD2 4.19Å; W84-Y103 AromaticContact CZ2-CG 3.91Å; W84-Y103 HydrophobicContact CZ2-CG 3.91Å; W84-M105 HydrophobicContact CH2-CE 4.34Å; W84-M105 HydrophobicContact CH2-SD 3.6Å; W84-M105 HydrophobicContact CZ3-CE 3.97Å; W84-M105 HydrophobicContact CZ3-SD 3.87Å
85L97.3Very high95.2Very high1 Ų146.6 Ų46.61%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-129.7123.5177.9178.967.1000111.1A7 V9 C21 I24 L30 Q31 L33A7-L85 HydrophobicContact CB-CD1 3.71Å; A7-L85 CarbonylContact O-C 3.56Å; A7-L85 WeakPolarHBondContact O-CA 3.19Å; V9-L85 HydrophobicContact CG2-CD1 3.81Å; V9-L85 HydrophobicContact CG2-CD2 4.47Å; C21-L85 HydrophobicContact CB-CD2 3.64Å; C21-L85 HydrophobicContact CB-CG 4.49Å; C21-L85 WeakPolarHBondContact O-CD2 3.35Å; I24-L85 HydrophobicContact CB-CD2 3.79Å; I24-L85 HydrophobicContact CD1-CD2 4.07Å; I24-L85 HydrophobicContact CG2-CD2 3.69Å; L30-L85 HydrophobicContact CB-CB 4.41Å; Q31-L85 PolarHBondContact O-N 2.98Å; L33-L85 PolarHBondContact N-O 3.37Å
86L97.7Very high95.5Very high0 Ų043.9 Ų43.90%021%0.214CC..EExtended strand (participates in β ladder)trans-92.1130.2176.4-60.9172.9000111.9A7 A8 V9 L33 M72 L76 W84 F89 L99A7-L86 PolarHBondContact O-N 2.8Å; A8-L86 WeakPolarHBondContact CA-O 3.43Å; A8-L86 HydrophobicContact CB-CB 4.03Å; V9-L86 PolarHBondContact N-O 3.01Å; L33-L86 HydrophobicContact CB-CD2 3.68Å; L33-L86 HydrophobicContact CD1-CD2 4.49Å; L33-L86 HydrophobicContact CD2-CD2 4.42Å; L33-L86 HydrophobicContact CG-CD2 4.43Å; L33-L86 CarbonylContact O-C 3.55Å; L33-L86 WeakPolarHBondContact O-CA 3.38Å; M72-L86 HydrophobicContact CE-CD2 3.85Å; L76-L86 HydrophobicContact CD1-CD2 4.4Å; L76-L86 HydrophobicContact CD2-CD2 3.89Å; W84-L86 HydrophobicContact CE3-CD1 4.18Å; W84-L86 HydrophobicContact CE3-CD2 4.34Å; W84-L86 HydrophobicContact CE3-CG 3.78Å; W84-L86 HydrophobicContact CH2-CD1 4.01Å; W84-L86 HydrophobicContact CH2-CG 4.5Å; W84-L86 HydrophobicContact CZ3-CD1 3.47Å; W84-L86 VanDerWaalsContact CZ3-CD1 3.47Å; W84-L86 HydrophobicContact CZ3-CD2 4.41Å; W84-L86 HydrophobicContact CZ3-CG 3.58Å; L86-F89 VanDerWaalsContact CB-O 3.28Å; L86-F89 WeakPolarHBondContact CB-O 3.27Å; L86-F89 HydrophobicContact CD1-CD1 4.17Å; L86-L99 HydrophobicContact CD1-CD1 4.29Å; L86-L99 HydrophobicContact CD1-CD2 3.69Å
87D95.1Very high95.6Very high6 Ų649.2 Ų49.23%0.03224%0.239CC..EExtended strand (participates in β ladder)trans-111.7116.3167173.528.4000110.7K17 C21 Y32 L33 S35K17-D87 VanDerWaalsContact CD-OD1 3.3Å; K17-D87 WeakPolarHBondContact CD-OD1 3.34Å; K17-D87 WeakPolarHBondContact CE-OD1 3.5Å; K17-D87 IonicContact NZ-OD1 2.78Å; K17-D87 PolarHBondContact NZ-OD1 3.03Å; K17-D87 IonicContact NZ-OD2 3.68Å; K17-D87 PolarHBondContact NZ-OD2 2.83Å; C21-D87 HydrophobicContact CB-CB 4.29Å; Y32-D87 HydrophobicContact CE2-CB 3.6Å; Y32-D87 PolarHBondContact OH-OD2 3.19Å; Y32-D87 VanDerWaalsContact OH-OD2 3.07Å; L33-D87 PolarHBondContact O-N 3.05Å; S35-D87 PolarHBondContact N-O 3.33Å; S35-D87 VanDerWaalsContact N-O 3.09Å; S35-D87 PolarHBondContact OG-O 3.18Å
88G89.3Confident95.7Very high8 Ų846.2 Ų46.28%0.08223%0.229CC..SBendtrans77.819.5173.700000114.6S35 R91S35-G88 VanDerWaalsContact OG-C 3.23Å; S35-G88 PolarHBondContact OG-O 3.25Å; G88-R91 VanDerWaalsContact O-CG 3.24Å; G88-R91 WeakPolarHBondContact O-CG 3.44Å; G88-R91 PolarHBondContact O-NE 2.87Å
89F95.3Very high95.9Very high0 Ų039.4 Ų39.40%020%0.198CC..  trans-145.6137.2165.1-175.9-91.6000108.4M68 M72 L86 Q95 L99M68-F89 HydrophobicContact CG-CD2 3.81Å; M68-F89 HydrophobicContact CG-CE2 4.01Å; M72-F89 HydrophobicContact CB-CD1 4.34Å; M72-F89 HydrophobicContact CB-CD2 4.39Å; M72-F89 HydrophobicContact CB-CE1 4.21Å; M72-F89 HydrophobicContact CB-CE2 4.25Å; M72-F89 HydrophobicContact CB-CG 4.43Å; M72-F89 HydrophobicContact CB-CZ 4.17Å; M72-F89 HydrophobicContact CE-CB 4.15Å; M72-F89 HydrophobicContact CE-CG 4.38Å; M72-F89 HydrophobicContact CG-CB 4.38Å; M72-F89 HydrophobicContact CG-CD1 4.27Å; M72-F89 HydrophobicContact CG-CD2 3.76Å; M72-F89 HydrophobicContact CG-CE2 4.03Å; M72-F89 HydrophobicContact CG-CG 3.89Å; M72-F89 HydrophobicContact CG-CZ 4.41Å; L86-F89 VanDerWaalsContact CB-O 3.28Å; L86-F89 WeakPolarHBondContact CB-O 3.27Å; L86-F89 HydrophobicContact CD1-CD1 4.17Å; F89-Q95 HydrophobicContact CD2-CB 4.33Å; F89-Q95 HydrophobicContact CD2-CG 4.37Å; F89-Q95 VanDerWaalsContact CD2-OE1 3.29Å; F89-Q95 HydrophobicContact CE2-CB 3.69Å; F89-Q95 HydrophobicContact CE2-CG 3.73Å; F89-Q95 HydrophobicContact CZ-CB 3.96Å; F89-Q95 HydrophobicContact CZ-CG 4.4Å; F89-L99 HydrophobicContact CD1-CD2 4.44Å; F89-L99 HydrophobicContact CE1-CB 4.09Å; F89-L99 HydrophobicContact CE1-CD1 4.26Å; F89-L99 HydrophobicContact CE1-CD2 4.28Å; F89-L99 HydrophobicContact CE1-CG 4.46Å
90P96.7Very high96Very high2 Ų239.7 Ų39.71%0.01320%0.199CC..  cis-75150.8-5.432.3-35.1000112.4L10 Q95 A96 L99 V180 Y184L10-P90 WeakPolarHBondContact CD2-O 3.39Å; P90-Q95 HydrophobicContact CB-CB 3.64Å; P90-A96 HydrophobicContact CB-CB 3.83Å; P90-A96 HydrophobicContact CG-CB 3.7Å; P90-L99 HydrophobicContact CG-CD2 4.34Å; P90-V180 HydrophobicContact CG-CG1 4.07Å; P90-Y184 HydrophobicContact CG-CE2 3.91Å
91R94.6Very high96.2Very high134 Ų13437.2 Ų37.251%0.50620%0.204SC..  trans-106.2-22.7173.1-63.5-170.5-176.2-174.12113.8G88 L176G88-R91 VanDerWaalsContact O-CG 3.24Å; G88-R91 WeakPolarHBondContact O-CG 3.44Å; G88-R91 PolarHBondContact O-NE 2.87Å; R91-L176 CarbonylContact O-C 3.56Å
92T96.3Very high96.3Very high14 Ų1436.6 Ų36.69%0.08620%0.2CC..SBendtrans-126163.2-178.873.20000110.2D65 A94 Q95 A96 L176 V180D65-T92 WeakPolarHBondContact OD1-CG2 3.26Å; D65-T92 PolarHBondContact OD1-OG1 2.88Å; D65-T92 WeakPolarHBondContact OD2-CB 3.35Å; D65-T92 PolarHBondContact OD2-OG1 3.01Å; T92-A94 VanDerWaalsContact C-N 3.3Å; T92-A94 PolarHBondContact O-N 3.25Å; T92-Q95 PolarHBondContact O-N 3.3Å; T92-Q95 WeakPolarHBondContact OG1-CG 3.49Å; T92-Q95 PolarHBondContact OG1-N 3.16Å; T92-A96 PolarHBondContact O-N 3.11Å; T92-L176 HydrophobicContact CG2-CD1 4.22Å; T92-L176 HydrophobicContact CG2-CD2 4.16Å; T92-V180 WeakPolarHBondContact O-CG2 3.27Å
93L97.1Very high96.4Very high63 Ų6333.4 Ų33.433%0.3319%0.185SC..Hα-helixtrans-60.2-40.6177.1-176.859.8000112Q95 A96 Q97 P179 L183L93-Q95 PolarHBondContact O-N 3Å; L93-A96 PolarHBondContact O-N 2.9Å; L93-A96 VanDerWaalsContact O-N 3.16Å; L93-Q97 HydrophobicContact CD1-CG 4.3Å; L93-Q97 HydrophobicContact CG-CG 4.36Å; L93-Q97 WeakPolarHBondContact O-CB 3.39Å; L93-Q97 WeakPolarHBondContact O-CG 3.14Å; L93-Q97 PolarHBondContact O-N 3.14Å; L93-P179 HydrophobicContact CB-CB 4.03Å; L93-P179 HydrophobicContact CD2-CB 4.3Å; L93-L183 HydrophobicContact CD1-CB 4.26Å; L93-L183 HydrophobicContact CD1-CD2 3.89Å
94A97.3Very high96.3Very high47 Ų4740 Ų4039%0.38821%0.212SC..Hα-helixtrans-64-40.5179.600000111.8D65 T92 A96 Q97 A98D65-A94 HydrophobicContact CB-CB 4.37Å; T92-A94 VanDerWaalsContact C-N 3.3Å; T92-A94 PolarHBondContact O-N 3.25Å; A94-A96 VanDerWaalsContact C-N 3.35Å; A94-Q97 PolarHBondContact O-N 2.64Å; A94-A98 WeakPolarHBondContact O-CB 3.36Å; A94-A98 PolarHBondContact O-N 3.13Å
95Q97.7Very high96.3Very high8 Ų840.1 Ų40.14%0.03721%0.213CC..Hα-helixtrans-62.7-42.1172.6-68.2175.917.800111.6D65 F89 P90 T92 L93 A98 L99D65-Q95 HydrophobicContact CB-CG 4Å; D65-Q95 PolarHBondContact OD1-NE2 3.03Å; F89-Q95 HydrophobicContact CD2-CB 4.33Å; F89-Q95 HydrophobicContact CD2-CG 4.37Å; F89-Q95 VanDerWaalsContact CD2-OE1 3.29Å; F89-Q95 HydrophobicContact CE2-CB 3.69Å; F89-Q95 HydrophobicContact CE2-CG 3.73Å; F89-Q95 HydrophobicContact CZ-CB 3.96Å; F89-Q95 HydrophobicContact CZ-CG 4.4Å; P90-Q95 HydrophobicContact CB-CB 3.64Å; T92-Q95 PolarHBondContact O-N 3.3Å; T92-Q95 WeakPolarHBondContact OG1-CG 3.49Å; T92-Q95 PolarHBondContact OG1-N 3.16Å; L93-Q95 PolarHBondContact O-N 3Å; Q95-A98 PolarHBondContact O-N 3.3Å; Q95-L99 WeakPolarHBondContact O-CB 3.4Å; Q95-L99 PolarHBondContact O-N 3.13Å
96A98.1Very high96.2Very high0 Ų041.2 Ų41.20%022%0.219CC..Hα-helixtrans-66.1-39.6179.100000112.1P90 T92 L93 A94 L99 N100 V180 L183 Y184P90-A96 HydrophobicContact CB-CB 3.83Å; P90-A96 HydrophobicContact CG-CB 3.7Å; T92-A96 PolarHBondContact O-N 3.11Å; L93-A96 PolarHBondContact O-N 2.9Å; L93-A96 VanDerWaalsContact O-N 3.16Å; A94-A96 VanDerWaalsContact C-N 3.35Å; A96-L99 PolarHBondContact O-N 2.85Å; A96-N100 VanDerWaalsContact O-CB 3.27Å; A96-N100 WeakPolarHBondContact O-CB 3.4Å; A96-N100 PolarHBondContact O-N 3.02Å; A96-N100 PolarHBondContact O-OD1 3.03Å; A96-V180 HydrophobicContact CB-CG1 4.2Å; A96-V180 HydrophobicContact CB-CG2 4.5Å; A96-L183 HydrophobicContact CB-CD2 3.81Å; A96-Y184 HydrophobicContact CB-CE2 4.18Å
97Q97.7Very high96.1Very high112 Ų11241.2 Ų41.252%0.52322%0.219SC..Hα-helixtrans-65.2-43.6174.5-73.1171.5-27.400111.7L93 A94 L99 N100 S101L93-Q97 HydrophobicContact CD1-CG 4.3Å; L93-Q97 HydrophobicContact CG-CG 4.36Å; L93-Q97 WeakPolarHBondContact O-CB 3.39Å; L93-Q97 WeakPolarHBondContact O-CG 3.14Å; L93-Q97 PolarHBondContact O-N 3.14Å; A94-Q97 PolarHBondContact O-N 2.64Å; Q97-L99 VanDerWaalsContact C-N 3.31Å; Q97-L99 PolarHBondContact O-N 3.1Å; Q97-N100 PolarHBondContact O-N 2.84Å; Q97-S101 PolarHBondContact O-N 2.76Å
98A97.6Very high96.1Very high27 Ų2741 Ų4122%0.22322%0.217CC..Hα-helixtrans-66.3-32.2176.300000113T69 A94 Q95 S101T69-A98 HydrophobicContact CG2-CB 3.71Å; A94-A98 WeakPolarHBondContact O-CB 3.36Å; A94-A98 PolarHBondContact O-N 3.13Å; Q95-A98 PolarHBondContact O-N 3.3Å; A98-S101 PolarHBondContact O-OG 3.48Å
99L97.8Very high96.4Very high0 Ų040.8 Ų40.80%021%0.214CC..Hα-helixtrans-69-48.1171.9179.862.9000111L73 L76 W84 L86 F89 P90 Q95 A96 Q97 S101 L102 Y103 M105L73-L99 HydrophobicContact CD2-CD1 4.36Å; L76-L99 HydrophobicContact CD1-CD1 3.62Å; W84-L99 HydrophobicContact CH2-CD1 4.28Å; L86-L99 HydrophobicContact CD1-CD1 4.29Å; L86-L99 HydrophobicContact CD1-CD2 3.69Å; F89-L99 HydrophobicContact CD1-CD2 4.44Å; F89-L99 HydrophobicContact CE1-CB 4.09Å; F89-L99 HydrophobicContact CE1-CD1 4.26Å; F89-L99 HydrophobicContact CE1-CD2 4.28Å; F89-L99 HydrophobicContact CE1-CG 4.46Å; P90-L99 HydrophobicContact CG-CD2 4.34Å; Q95-L99 WeakPolarHBondContact O-CB 3.4Å; Q95-L99 PolarHBondContact O-N 3.13Å; A96-L99 PolarHBondContact O-N 2.85Å; Q97-L99 VanDerWaalsContact C-N 3.31Å; Q97-L99 PolarHBondContact O-N 3.1Å; L99-S101 VanDerWaalsContact C-N 3.25Å; L99-S101 PolarHBondContact O-N 3.29Å; L99-L102 PolarHBondContact O-N 3.26Å; L99-L102 VanDerWaalsContact O-N 3.12Å; L99-Y103 HydrophobicContact CD1-CD2 3.93Å; L99-Y103 PolarHBondContact O-N 3.17Å; L99-M105 HydrophobicContact CD2-CG 4.46Å; L99-M105 HydrophobicContact CD2-SD 3.82Å; L99-M105 HydrophobicContact CG-SD 4.36Å
100N97.1Very high96.4Very high39 Ų3941.1 Ų41.121%0.20922%0.217CC..Hα-helixtrans-70.2-18.7-175.3-72.12.4000113.6A96 Q97 L102 Y103 Y184 Q187A96-N100 VanDerWaalsContact O-CB 3.27Å; A96-N100 WeakPolarHBondContact O-CB 3.4Å; A96-N100 PolarHBondContact O-N 3.02Å; A96-N100 PolarHBondContact O-OD1 3.03Å; Q97-N100 PolarHBondContact O-N 2.84Å; N100-L102 PolarHBondContact O-N 3.44Å; N100-Y103 WeakPolarHBondContact CA-O 3.46Å; N100-Y184 WeakPolarHBondContact OD1-CE1 3.39Å; N100-Y184 PolarHBondContact OD1-OH 3.09Å; N100-Q187 PolarHBondContact ND2-NE2 3.16Å
101S96.8Very high96.2Very high90 Ų9041 Ų4163%0.62922%0.216SC*.THydrogen-bonded Turntrans-71.1-19.1172.465.60000113.1Q97 A98 L99Q97-S101 PolarHBondContact O-N 2.76Å; A98-S101 PolarHBondContact O-OG 3.48Å; L99-S101 VanDerWaalsContact C-N 3.25Å; L99-S101 PolarHBondContact O-N 3.29Å
102L95.8Very high95.9Very high101 Ų10139.4 Ų39.453%0.52922%0.218SC..THydrogen-bonded Turntrans-111.8-34.7-180-61.8-177.5000113.1L73 L99 N100L73-L102 HydrophobicContact CB-CD1 4.39Å; L73-L102 HydrophobicContact CD1-CD1 3.76Å; L73-L102 HydrophobicContact CD2-CD1 4.17Å; L73-L102 HydrophobicContact CG-CD1 4.32Å; L99-L102 PolarHBondContact O-N 3.26Å; L99-L102 VanDerWaalsContact O-N 3.12Å; N100-L102 PolarHBondContact O-N 3.44Å
103Y95.8Very high95.5Very high22 Ų2239.1 Ų39.19%0.08622%0.215CC..  trans-133.5132-174.2-55.7-73000111.7L76 E77 W84 L99 N100L76-Y103 HydrophobicContact CB-CE2 3.74Å; L76-Y103 HydrophobicContact CD1-CD2 4.42Å; L76-Y103 HydrophobicContact CD1-CE2 4.2Å; E77-Y103 VanDerWaalsContact CA-OH 3.31Å; E77-Y103 WeakPolarHBondContact CA-OH 3.44Å; E77-Y103 PolarHBondContact N-OH 2.96Å; E77-Y103 PolarHBondContact OE2-OH 2.7Å; W84-Y103 HydrophobicContact CZ2-CD1 4.31Å; W84-Y103 HydrophobicContact CZ2-CD2 4.19Å; W84-Y103 AromaticContact CZ2-CG 3.91Å; W84-Y103 HydrophobicContact CZ2-CG 3.91Å; L99-Y103 HydrophobicContact CD1-CD2 3.93Å; L99-Y103 PolarHBondContact O-N 3.17Å; N100-Y103 WeakPolarHBondContact CA-O 3.46Å
104Q95.2Very high95.1Very high166 Ų16639.1 Ų39.178%0.77622%0.219SC*.  trans-79.7121.8167.6-174.1175.63.500109.6R6R6-Q104 WeakPolarHBondContact CB-O 3.45Å; R6-Q104 WeakPolarHBondContact CG-O 3.28Å
105M96.6Very high94.5Very high3 Ų340.3 Ų40.32%0.01521%0.214CC..  trans-76.4135.2176.1-64.3-59.3-64.200110.8R6 A7 A8 W84 L99 V108 Y184 V189R6-M105 HydrophobicContact CB-SD 4.35Å; A7-M105 VanDerWaalsContact C-CE 3.41Å; A8-M105 HydrophobicContact CB-CE 3.63Å; W84-M105 HydrophobicContact CH2-CE 4.34Å; W84-M105 HydrophobicContact CH2-SD 3.6Å; W84-M105 HydrophobicContact CZ3-CE 3.97Å; W84-M105 HydrophobicContact CZ3-SD 3.87Å; L99-M105 HydrophobicContact CD2-CG 4.46Å; L99-M105 HydrophobicContact CD2-SD 3.82Å; L99-M105 HydrophobicContact CG-SD 4.36Å; M105-V108 HydrophobicContact CB-CG2 4.35Å; M105-V108 HydrophobicContact CE-CG2 4.22Å; M105-Y184 HydrophobicContact CB-CE1 4.09Å; M105-Y184 HydrophobicContact CG-CE1 3.76Å; M105-V189 WeakPolarHBondContact O-CG1 3.43Å
106D94.9Very high94Very high24 Ų2445 Ų4513%0.12824%0.236CC..SBendtrans-96.1-25.4176.6-63.7-65.3000112.9K3 L5 R6 K212K3-D106 WeakPolarHBondContact CE-OD1 3.45Å; K3-D106 IonicContact NZ-OD1 2.67Å; K3-D106 PolarHBondContact NZ-OD1 3.46Å; L5-D106 HydrophobicContact CD1-CB 3.74Å; R6-D106 PolarHBondContact N-OD2 3.09Å; R6-D106 PolarHBondContact O-N 3.07Å; D106-K212 PolarHBondContact O-NZ 3.11Å
107L94.8Very high93.4Very high0 Ų046.4 Ų46.40%024%0.244CC..EExtended strand (participates in β ladder)trans-156128.5-174175.960.6000111.4R6 A7 A8 I109 H191 L208 L209R6-L107 PolarHBondContact O-N 2.78Å; A7-L107 CarbonylContact C-O 3.56Å; A7-L107 WeakPolarHBondContact CA-O 3.28Å; A7-L107 HydrophobicContact CB-CB 4.16Å; A8-L107 PolarHBondContact N-O 2.9Å; L107-I109 HydrophobicContact CD1-CG1 4.04Å; L107-I109 HydrophobicContact CD2-CD1 4.08Å; L107-I109 HydrophobicContact CD2-CG1 4.2Å; L107-I109 HydrophobicContact CG-CD1 4.44Å; L107-I109 HydrophobicContact CG-CG1 4.04Å; L107-H191 HydrophobicContact CD1-CB 4.44Å; L107-H191 WeakPolarHBondContact CD1-CD2 3.4Å; L107-L208 HydrophobicContact CD1-CD2 3.76Å; L107-L208 HydrophobicContact CD2-CD2 4.43Å; L107-L209 HydrophobicContact CD2-CD2 3.37Å; L107-L209 HydrophobicContact CD2-CG 4.16Å
108V96.6Very high93Very high0 Ų041.3 Ų41.30%022%0.221CC..EExtended strand (participates in β ladder)trans-125.2122167.8-1780000108.4A8 L10 M105 Y184 V189 L190 H191A8-V108 HydrophobicContact CB-CG2 4.45Å; A8-V108 CarbonylContact O-C 3.29Å; A8-V108 WeakPolarHBondContact O-CA 3.23Å; L10-V108 HydrophobicContact CD1-CG1 3.64Å; L10-V108 HydrophobicContact CG-CG1 3.78Å; M105-V108 HydrophobicContact CB-CG2 4.35Å; M105-V108 HydrophobicContact CE-CG2 4.22Å; V108-Y184 HydrophobicContact CB-CD2 4.3Å; V108-Y184 HydrophobicContact CB-CG 4.16Å; V108-Y184 HydrophobicContact CG1-CD2 3.95Å; V108-Y184 HydrophobicContact CG1-CG 4.28Å; V108-Y184 HydrophobicContact CG2-CD1 3.75Å; V108-Y184 HydrophobicContact CG2-CD2 3.84Å; V108-Y184 HydrophobicContact CG2-CE1 4.08Å; V108-Y184 HydrophobicContact CG2-CE2 4.15Å; V108-Y184 HydrophobicContact CG2-CG 3.63Å; V108-V189 HydrophobicContact CG2-CG2 4.24Å; V108-V189 PolarHBondContact N-O 3.26Å; V108-L190 HydrophobicContact CB-CD1 4.15Å; V108-L190 HydrophobicContact CG1-CD1 3.82Å; V108-L190 CarbonylContact O-C 3.58Å; V108-L190 WeakPolarHBondContact O-CA 3.48Å; V108-H191 PolarHBondContact O-N 3.45Å
109I94.8Very high92.4Very high4 Ų443.5 Ų43.52%0.02123%0.225CC..EExtended strand (participates in β ladder)trans-100.4127.5177.8-60.4166.8000107.8A8 V9 L10 I24 L107 L111 H191 I205A8-I109 PolarHBondContact O-N 3.32Å; V9-I109 CarbonylContact C-O 3.57Å; V9-I109 WeakPolarHBondContact CA-O 3.18Å; V9-I109 HydrophobicContact CG1-CB 4.42Å; V9-I109 HydrophobicContact CG1-CG2 4.47Å; V9-I109 HydrophobicContact CG2-CB 4.23Å; V9-I109 HydrophobicContact CG2-CD1 4.34Å; L10-I109 PolarHBondContact N-O 3.4Å; I24-I109 HydrophobicContact CD1-CD1 3.92Å; L107-I109 HydrophobicContact CD1-CG1 4.04Å; L107-I109 HydrophobicContact CD2-CD1 4.08Å; L107-I109 HydrophobicContact CD2-CG1 4.2Å; L107-I109 HydrophobicContact CG-CD1 4.44Å; L107-I109 HydrophobicContact CG-CG1 4.04Å; I109-L111 HydrophobicContact CG2-CD2 3.96Å; I109-H191 CarbonylContact C-O 3.6Å; I109-H191 WeakPolarHBondContact CA-O 3.47Å; I109-I205 HydrophobicContact CD1-CD1 4.1Å; I109-I205 HydrophobicContact CD1-CG1 4.19Å; I109-I205 HydrophobicContact CD1-CG2 4.05Å; I109-I205 HydrophobicContact CG2-CD1 4.1Å
110S94.6Very high91.8Very high7 Ų748.1 Ų48.15%0.04925%0.25CC..EExtended strand (participates in β ladder)trans-111.8122173.8176.60000110.5L10 H191 S192 F193L10-S110 CarbonylContact O-C 3.59Å; L10-S110 WeakPolarHBondContact O-CA 3.36Å; S110-H191 PolarHBondContact N-O 2.85Å; S110-S192 CarbonylContact O-C 3.57Å; S110-S192 WeakPolarHBondContact O-CA 3.46Å; S110-F193 PolarHBondContact O-N 2.9Å
111L92.5Very high91.3Very high1 Ų148.5 Ų48.51%0.00525%0.248CC..EExtended strand (participates in β ladder)trans-91.9104.7176-53.8-176.2000109.7V9 L10 P12 K17 I20 I109 I113 F193 I201V9-L111 HydrophobicContact CG1-CD1 4.13Å; V9-L111 HydrophobicContact CG1-CG 4.08Å; L10-L111 PolarHBondContact O-N 2.91Å; P12-L111 VanDerWaalsContact CD-O 3.29Å; P12-L111 WeakPolarHBondContact CD-O 3.46Å; K17-L111 HydrophobicContact CB-CD1 3.9Å; I20-L111 HydrophobicContact CD1-CD1 3.45Å; I20-L111 VanDerWaalsContact CD1-CD1 3.45Å; I20-L111 HydrophobicContact CD1-CD2 3.96Å; I20-L111 HydrophobicContact CD1-CG 4.36Å; I109-L111 HydrophobicContact CG2-CD2 3.96Å; L111-I113 HydrophobicContact CB-CD1 4.48Å; L111-I113 HydrophobicContact CB-CG1 4.38Å; L111-F193 HydrophobicContact CD2-CB 4.34Å; L111-I201 HydrophobicContact CD2-CD1 4.35Å; L111-I201 HydrophobicContact CD2-CG2 4.03Å
112N88.9Confident90.7Very high100 Ų10044.2 Ų44.254%0.53522%0.219SC..EExtended strand (participates in β ladder)trans-99.388.4176.8-17832.6000109.8F193 S194N112-F193 WeakPolarHBondContact CA-O 3.43Å; N112-F193 WeakPolarHBondContact CB-O 3.17Å; N112-F193 PolarHBondContact N-O 3.33Å; N112-S194 PolarHBondContact ND2-OG 3.08Å; N112-S194 WeakPolarHBondContact O-CA 3.4Å
113I88.9Confident90.1Very high8 Ų842.1 Ų42.14%0.04121%0.212CC..  trans-99.8136.1-177.2-49.9-57.2000109.4L111 T117 L118 G195 I201L111-I113 HydrophobicContact CB-CD1 4.48Å; L111-I113 HydrophobicContact CB-CG1 4.38Å; I113-T117 HydrophobicContact CG2-CG2 3.75Å; I113-L118 HydrophobicContact CB-CD2 3.74Å; I113-L118 HydrophobicContact CB-CG 4.06Å; I113-L118 HydrophobicContact CG1-CD2 4.39Å; I113-L118 HydrophobicContact CG2-CD2 3.76Å; I113-L118 HydrophobicContact CG2-CG 4Å; I113-G195 WeakPolarHBondContact CD1-O 3.4Å; I113-I201 HydrophobicContact CD1-CD1 4Å
114P88.1Confident89.7Confident63 Ų6344.4 Ų44.441%0.40923%0.226SC..  trans-57.2145.9177.8-25.635.5000113E116 T117 L118 T196P114-E116 PolarHBondContact O-N 3.31Å; P114-T117 WeakPolarHBondContact O-CB 3.37Å; P114-T117 PolarHBondContact O-N 2.93Å; P114-L118 WeakPolarHBondContact O-CG 3.46Å; P114-L118 PolarHBondContact O-N 3.41Å; P114-T196 HydrophobicContact CG-CG2 4.01Å
115Y84.9Confident89.4Confident72 Ų7239 Ų3928%0.28220%0.199SC..Hα-helixtrans-54.5-48.5-178.4168.5-99.3000112.9T117 L118 K119 M167 L170Y115-T117 VanDerWaalsContact C-N 3.29Å; Y115-T117 PolarHBondContact O-N 3Å; Y115-L118 WeakPolarHBondContact O-CA 3.45Å; Y115-L118 WeakPolarHBondContact O-CB 3.17Å; Y115-L118 PolarHBondContact O-N 3.27Å; Y115-K119 HydrophobicContact CE1-CD 4.12Å; Y115-K119 PolarHBondContact O-N 3.46Å; Y115-M167 HydrophobicContact CD2-SD 3.87Å; Y115-M167 HydrophobicContact CE1-SD 4.13Å; Y115-M167 HydrophobicContact CE2-CG 3.91Å; Y115-M167 HydrophobicContact CE2-SD 3.13Å; Y115-M167 WeakPolarHBondContact CE2-SD 3.34Å; Y115-M167 VanDerWaalsContact OH-CG 3.24Å; Y115-M167 WeakPolarHBondContact OH-CG 3.17Å; Y115-M167 PolarHBondContact OH-SD 3Å; Y115-M167 VanDerWaalsContact OH-SD 3.41Å; Y115-L170 HydrophobicContact CD2-CD1 3.44Å; Y115-L170 VanDerWaalsContact CD2-CD1 3.44Å; Y115-L170 HydrophobicContact CE2-CD1 3.64Å
116E85.9Confident89.1Confident107 Ų10742.3 Ų42.350%0.521%0.211SC..Hα-helixtrans-59.2-42-179.5-61.9-55.4146.900111.5P114 L118 K119 D120P114-E116 PolarHBondContact O-N 3.31Å; E116-L118 VanDerWaalsContact C-N 3.32Å; E116-L118 PolarHBondContact O-N 3.13Å; E116-K119 WeakPolarHBondContact O-CB 3.1Å; E116-K119 PolarHBondContact O-N 3.12Å; E116-K119 IonicContact OE2-NZ 3.17Å; E116-D120 VanDerWaalsContact O-CG 3.29Å; E116-D120 PolarHBondContact O-N 3.31Å
117T87.1Confident88.9Confident28 Ų2841.7 Ų41.717%0.17221%0.208CC..Hα-helixtrans-63.5-37.1174.8-53.30000112.5I113 P114 Y115 R121I113-T117 HydrophobicContact CG2-CG2 3.75Å; P114-T117 WeakPolarHBondContact O-CB 3.37Å; P114-T117 PolarHBondContact O-N 2.93Å; Y115-T117 VanDerWaalsContact C-N 3.29Å; Y115-T117 PolarHBondContact O-N 3Å; T117-R121 WeakPolarHBondContact O-CB 3.45Å; T117-R121 WeakPolarHBondContact O-CD 3.33Å; T117-R121 WeakPolarHBondContact O-CG 3.41Å; T117-R121 PolarHBondContact O-N 3.41Å; T117-R121 VanDerWaalsContact O-N 3.14Å
118L87.9Confident88.8Confident6 Ų641.9 Ų41.93%0.03121%0.209CC..Hα-helixtrans-67.9-39.2175.9-65.6175.4000111.6P12 P13 G14 I113 P114 Y115 E116 R121 L122 L170P12-L118 HydrophobicContact CB-CD1 3.91Å; P12-L118 HydrophobicContact CG-CD1 3.47Å; P12-L118 VanDerWaalsContact CG-CD1 3.47Å; P12-L118 HydrophobicContact CG-CD2 4.14Å; P12-L118 HydrophobicContact CG-CG 4.45Å; P13-L118 WeakPolarHBondContact O-CD2 3.4Å; G14-L118 VanDerWaalsContact C-CD2 3.41Å; I113-L118 HydrophobicContact CB-CD2 3.74Å; I113-L118 HydrophobicContact CB-CG 4.06Å; I113-L118 HydrophobicContact CG1-CD2 4.39Å; I113-L118 HydrophobicContact CG2-CD2 3.76Å; I113-L118 HydrophobicContact CG2-CG 4Å; P114-L118 WeakPolarHBondContact O-CG 3.46Å; P114-L118 PolarHBondContact O-N 3.41Å; Y115-L118 WeakPolarHBondContact O-CA 3.45Å; Y115-L118 WeakPolarHBondContact O-CB 3.17Å; Y115-L118 PolarHBondContact O-N 3.27Å; E116-L118 VanDerWaalsContact C-N 3.32Å; E116-L118 PolarHBondContact O-N 3.13Å; L118-R121 PolarHBondContact O-N 3.37Å; L118-L122 WeakPolarHBondContact O-CB 3.3Å; L118-L122 WeakPolarHBondContact O-CD1 3.33Å; L118-L122 WeakPolarHBondContact O-CG 3.35Å; L118-L122 PolarHBondContact O-N 3.12Å; L118-L170 HydrophobicContact CB-CD1 4.25Å; L118-L170 HydrophobicContact CD1-CD1 4.13Å; L118-L170 HydrophobicContact CD1-CD2 3.87Å
119K84.8Confident88.3Confident73 Ų7345.2 Ų45.232%0.31723%0.231SC..Hα-helixtrans-60.3-53.4176.8-179.9-173.6169.3-166.20111.2Y115 E116 R121 L122 S123 L166Y115-K119 HydrophobicContact CE1-CD 4.12Å; Y115-K119 PolarHBondContact O-N 3.46Å; E116-K119 WeakPolarHBondContact O-CB 3.1Å; E116-K119 PolarHBondContact O-N 3.12Å; E116-K119 IonicContact OE2-NZ 3.17Å; K119-R121 VanDerWaalsContact C-N 3.3Å; K119-R121 PolarHBondContact O-N 3.14Å; K119-L122 PolarHBondContact O-N 3.5Å; K119-L122 VanDerWaalsContact O-N 3.14Å; K119-S123 PolarHBondContact O-N 3.47Å; K119-S123 PolarHBondContact O-OG 3Å; K119-L166 HydrophobicContact CB-CD2 3.98Å; K119-L166 HydrophobicContact CG-CD2 4.23Å
120D85.3Confident87.8Confident96 Ų9648.8 Ų48.851%0.51326%0.261SS..Hα-helixtrans-61.1-40179.2-60.7-21.1000111.7E116 L122 S123E116-D120 VanDerWaalsContact O-CG 3.29Å; E116-D120 PolarHBondContact O-N 3.31Å; D120-L122 VanDerWaalsContact C-N 3.32Å; D120-L122 PolarHBondContact O-N 2.97Å; D120-S123 PolarHBondContact O-OG 3.29Å
121R86.8Confident87.3Confident47 Ų4750.1 Ų50.118%0.17727%0.27CS..Hα-helixtrans-67.9-31.3178.3-74.4173.7179.2-167.4-0.7113.5G14 S15 T117 L118 K119 N136 T196G14-R121 WeakPolarHBondContact O-CD 3.43Å; G14-R121 PolarHBondContact O-NH1 2.97Å; G14-R121 VanDerWaalsContact O-NH1 3.15Å; S15-R121 PolarHBondContact O-NH1 3.01Å; T117-R121 WeakPolarHBondContact O-CB 3.45Å; T117-R121 WeakPolarHBondContact O-CD 3.33Å; T117-R121 WeakPolarHBondContact O-CG 3.41Å; T117-R121 PolarHBondContact O-N 3.41Å; T117-R121 VanDerWaalsContact O-N 3.14Å; L118-R121 PolarHBondContact O-N 3.37Å; K119-R121 VanDerWaalsContact C-N 3.3Å; K119-R121 PolarHBondContact O-N 3.14Å; R121-N136 PolarHBondContact O-ND2 3.01Å; R121-T196 PolarHBondContact NH2-O 2.87Å
122L84.3Confident86.8Confident1 Ų151.1 Ų51.11%0.00528%0.28CS..Hα-helixtrans-86.6-31.3-177.1-71.8168000112P13 L118 K119 D120 D124 R125 L166P13-L122 HydrophobicContact CB-CD1 4.21Å; L118-L122 WeakPolarHBondContact O-CB 3.3Å; L118-L122 WeakPolarHBondContact O-CD1 3.33Å; L118-L122 WeakPolarHBondContact O-CG 3.35Å; L118-L122 PolarHBondContact O-N 3.12Å; K119-L122 PolarHBondContact O-N 3.5Å; K119-L122 VanDerWaalsContact O-N 3.14Å; D120-L122 VanDerWaalsContact C-N 3.32Å; D120-L122 PolarHBondContact O-N 2.97Å; L122-D124 PolarHBondContact O-N 3.04Å; L122-R125 WeakPolarHBondContact O-CB 3.42Å; L122-R125 PolarHBondContact O-N 3.35Å; L122-R125 VanDerWaalsContact O-N 3.16Å; L122-L166 HydrophobicContact CB-CD2 4.25Å; L122-L166 HydrophobicContact CD1-CD1 3.19Å; L122-L166 HydrophobicContact CD1-CD2 4Å; L122-L166 HydrophobicContact CD1-CG 4.24Å; L122-L166 HydrophobicContact CG-CD1 4.47Å
123S83.9Confident86.7Confident56 Ų5649.6 Ų49.639%0.39227%0.267SS..Hα-helixtrans-61.1-32.4171.955.80000112.7K119 D120 Q157K119-S123 PolarHBondContact O-N 3.47Å; K119-S123 PolarHBondContact O-OG 3Å; D120-S123 PolarHBondContact O-OG 3.29Å; S123-Q157 PolarHBondContact O-NE2 3.42Å
124D87.1Confident86.7Confident71 Ų7152.4 Ų52.438%0.3828%0.284SS..THydrogen-bonded Turntrans-94.78.7179.8-72.2-9.2000113.5L122 N136 M137L122-D124 PolarHBondContact O-N 3.04Å; D124-N136 WeakPolarHBondContact O-CA 3.44Å; D124-M137 HydrophobicContact CB-CB 4.41Å; D124-M137 PolarHBondContact O-N 3.32Å
125R89.3Confident86.7Confident53 Ų5349.9 Ų49.920%0.227%0.267CS..EExtended strand (participates in β ladder)trans-85.3133.1-175.8-175176.8169.6-138.4-3.9111.6L122 V127 V134 Y135 Q157 D161L122-R125 WeakPolarHBondContact O-CB 3.42Å; L122-R125 PolarHBondContact O-N 3.35Å; L122-R125 VanDerWaalsContact O-N 3.16Å; R125-V127 HydrophobicContact CG-CG2 4.41Å; R125-V134 HydrophobicContact CG-CG1 3.7Å; R125-Y135 WeakPolarHBondContact CA-O 3.39Å; R125-Q157 WeakPolarHBondContact O-CG 3.48Å; R125-Q157 PolarHBondContact O-NE2 3.29Å; R125-D161 IonicContact NH1-OD1 3.01Å; R125-D161 PolarHBondContact NH1-OD1 2.98Å; R125-D161 IonicContact NH1-OD2 2.7Å; R125-D161 PolarHBondContact NH1-OD2 3.44Å
126W90.6Very high86.8Confident71 Ų7147.7 Ų47.727%0.26926%0.26SS..EExtended strand (participates in β ladder)trans-126.1144.9174.9-68.979.1000110V134 Y135 L155 I156 Q157W126-V134 CarbonylContact O-C 3.6Å; W126-V134 WeakPolarHBondContact O-CA 3.33Å; W126-Y135 PolarHBondContact N-O 2.93Å; W126-Y135 PolarHBondContact O-N 3.43Å; W126-L155 HydrophobicContact CB-CB 4.13Å; W126-L155 HydrophobicContact CB-CD1 4.03Å; W126-L155 HydrophobicContact CD2-CB 4.49Å; W126-L155 HydrophobicContact CE3-CB 3.74Å; W126-I156 WeakPolarHBondContact CA-O 3.31Å; W126-Q157 HydrophobicContact CD2-CG 3.67Å; W126-Q157 HydrophobicContact CE3-CG 3.88Å; W126-Q157 HydrophobicContact CG-CG 4.26Å; W126-Q157 HydrophobicContact CH2-CG 4.01Å; W126-Q157 HydrophobicContact CZ2-CG 3.79Å; W126-Q157 HydrophobicContact CZ3-CG 4.05Å
127V90.2Very high86.8Confident11 Ų1145.9 Ų45.97%0.06725%0.252CS..EExtended strand (participates in β ladder)trans-131.8136-176.6-174.30000109.9R125 P129 R133 V134 I156R125-V127 HydrophobicContact CG-CG2 4.41Å; V127-P129 WeakPolarHBondContact O-CD 3.47Å; V127-R133 CarbonylContact C-O 3.57Å; V127-R133 VanDerWaalsContact CA-O 3.31Å; V127-R133 WeakPolarHBondContact CA-O 3.4Å; V127-V134 HydrophobicContact CG2-CG2 4.27Å; V127-I156 PolarHBondContact N-O 3.02Å; V127-I156 PolarHBondContact O-N 3.43Å
128H92.1Very high86.4Confident5 Ų547.8 Ų47.82%0.02328%0.277CS..  trans-83.6112.9167.5178.4-143.4000109.3A130 S131 G132 R133 D148 T151 E153 L155H128-A130 PolarHBondContact O-N 3.42Å; H128-S131 PolarHBondContact ND1-OG 3.31Å; H128-S131 PolarHBondContact O-N 3.16Å; H128-G132 WeakPolarHBondContact O-CA 3.24Å; H128-G132 PolarHBondContact O-N 2.8Å; H128-R133 HydrophobicContact CB-CB 4.29Å; H128-R133 PolarHBondContact N-O 2.94Å; H128-R133 PolarHBondContact ND1-NH2 3.08Å; H128-R133 VanDerWaalsContact ND1-NH2 3.11Å; H128-D148 HydrophobicContact CB-CB 4.07Å; H128-D148 WeakPolarHBondContact CB-OD1 3.37Å; H128-D148 IonicContact CG-OD1 2.68Å; H128-D148 IonicContact ND1-OD1 3.63Å; H128-D148 PolarHBondContact ND1-OD1 2.84Å; H128-D148 IonicContact ND1-OD2 3.5Å; H128-T151 PolarHBondContact CE1-OG1 3.04Å; H128-T151 VanDerWaalsContact CE1-OG1 3.26Å; H128-E153 IonicContact CE1-OE2 2.61Å; H128-E153 PolarHBondContact CE1-OE2 3.46Å; H128-E153 IonicContact NE2-OE2 3.54Å; H128-E153 PolarHBondContact NE2-OE2 3.4Å; H128-L155 HydrophobicContact CB-CD2 3.67Å
129P86.3Confident85.8Confident70 Ų7052.7 Ų52.746%0.45530%0.299SS..THydrogen-bonded Turntrans-57.6-44.5-169.2-2937.2000114.7V127 I156V127-P129 WeakPolarHBondContact O-CD 3.47Å; P129-I156 HydrophobicContact CG-CD1 3.67Å; P129-I156 HydrophobicContact CG-CG1 3.8Å; P129-I156 HydrophobicContact CG-CG2 4.16Å
130A84.5Confident85.8Confident79 Ų7953.1 Ų53.165%0.65330%0.304SS*.THydrogen-bonded Turntrans-68.3-40.1-173.500000112.3H128H128-A130 PolarHBondContact O-N 3.42Å
131S83.7Confident86.1Confident35 Ų3551.7 Ų51.725%0.24530%0.301CS..THydrogen-bonded Turntrans-95.5-25.8-176.169.20000114.1H128 R133H128-S131 PolarHBondContact ND1-OG 3.31Å; H128-S131 PolarHBondContact O-N 3.16Å; S131-R133 VanDerWaalsContact CB-NH1 3.29Å; S131-R133 WeakPolarHBondContact OG-CB 3.13Å; S131-R133 WeakPolarHBondContact OG-CG 3.21Å; S131-R133 PolarHBondContact OG-N 3.33Å; S131-R133 PolarHBondContact OG-NE 3.13Å; S131-R133 PolarHBondContact OG-NH2 2.91Å
132G82.9Confident86.4Confident21 Ų2150.1 Ų50.122%0.21630%0.296CS..  trans70.715-166.500000114.2H128H128-G132 WeakPolarHBondContact O-CA 3.24Å; H128-G132 PolarHBondContact O-N 2.8Å
133R86.8Confident86.9Confident69 Ų6957 Ų5726%0.2633%0.333SS..  trans-59.6140.4169.1-76.7-176.6-70.8-87.50.9109.7V127 H128 S131 Y135 D148V127-R133 CarbonylContact C-O 3.57Å; V127-R133 VanDerWaalsContact CA-O 3.31Å; V127-R133 WeakPolarHBondContact CA-O 3.4Å; H128-R133 HydrophobicContact CB-CB 4.29Å; H128-R133 PolarHBondContact N-O 2.94Å; H128-R133 PolarHBondContact ND1-NH2 3.08Å; H128-R133 VanDerWaalsContact ND1-NH2 3.11Å; S131-R133 VanDerWaalsContact CB-NH1 3.29Å; S131-R133 WeakPolarHBondContact OG-CB 3.13Å; S131-R133 WeakPolarHBondContact OG-CG 3.21Å; S131-R133 PolarHBondContact OG-N 3.33Å; S131-R133 PolarHBondContact OG-NE 3.13Å; S131-R133 PolarHBondContact OG-NH2 2.91Å; R133-Y135 HydrophobicContact CB-CE2 4.04Å; R133-D148 IonicContact CZ-OD1 3.96Å; R133-D148 IonicContact CZ-OD2 3.15Å; R133-D148 VanDerWaalsContact CZ-OD2 3.31Å; R133-D148 IonicContact NE-OD1 3.89Å; R133-D148 PolarHBondContact NE-OD1 3.21Å; R133-D148 IonicContact NE-OD2 3.88Å; R133-D148 PolarHBondContact NE-OD2 2.88Å; R133-D148 VanDerWaalsContact NH2-CG 3.32Å; R133-D148 IonicContact NH2-OD1 3.49Å; R133-D148 PolarHBondContact NH2-OD1 2.84Å; R133-D148 IonicContact NH2-OD2 3.9Å; R133-D148 PolarHBondContact NH2-OD2 2.75Å
134V87.8Confident87.4Confident66 Ų6658.4 Ų58.440%0.434%0.338SS..EExtended strand (participates in β ladder)trans-120.3132.5-174.2-178.10000109.1R125 W126 V127R125-V134 HydrophobicContact CG-CG1 3.7Å; W126-V134 CarbonylContact O-C 3.6Å; W126-V134 WeakPolarHBondContact O-CA 3.33Å; V127-V134 HydrophobicContact CG2-CG2 4.27Å
135Y88.3Confident87.8Confident10 Ų1062.4 Ų62.44%0.03936%0.355CS..EExtended strand (participates in β ladder)trans-119152.5175.5-56.7-91.7000109R125 W126 R133 P142 D148 D149 L155R125-Y135 WeakPolarHBondContact CA-O 3.39Å; W126-Y135 PolarHBondContact N-O 2.93Å; W126-Y135 PolarHBondContact O-N 3.43Å; R133-Y135 HydrophobicContact CB-CE2 4.04Å; Y135-P142 HydrophobicContact CD1-CB 3.8Å; Y135-P142 HydrophobicContact CE1-CB 4.09Å; Y135-P142 HydrophobicContact CG-CB 4.27Å; Y135-D148 WeakPolarHBondContact CE2-OD1 3.39Å; Y135-D148 PolarHBondContact OH-OD1 2.65Å; Y135-D149 HydrophobicContact CE1-CB 4.43Å; Y135-D149 WeakPolarHBondContact CE1-OD2 3.49Å; Y135-D149 PolarHBondContact OH-N 3.41Å; Y135-L155 HydrophobicContact CD2-CD1 3.58Å; Y135-L155 HydrophobicContact CD2-CD2 3.63Å; Y135-L155 HydrophobicContact CD2-CG 4.27Å; Y135-L155 HydrophobicContact CE2-CD1 4.07Å; Y135-L155 HydrophobicContact CE2-CD2 3.5Å; Y135-L155 HydrophobicContact CE2-CG 4.44Å; Y135-L155 HydrophobicContact CG-CD1 3.97Å
136N88.6Confident88Confident27 Ų2760.7 Ų60.714%0.14435%0.354CS..EExtended strand (participates in β ladder)trans-140.1124.6172.7174-78000108.3R121 D124 G138 F139 N140 P141R121-N136 PolarHBondContact O-ND2 3.01Å; D124-N136 WeakPolarHBondContact O-CA 3.44Å; N136-G138 PolarHBondContact O-N 3.42Å; N136-G138 VanDerWaalsContact O-N 3.16Å; N136-G138 PolarHBondContact OD1-N 3.46Å; N136-F139 PolarHBondContact O-N 3.43Å; N136-F139 PolarHBondContact OD1-N 3.25Å; N136-F139 VanDerWaalsContact OD1-N 3.11Å; N136-N140 PolarHBondContact N-O 2.64Å; N136-N140 CarbonylContact O-C 3.59Å; N136-N140 WeakPolarHBondContact O-CA 3.48Å; N136-N140 PolarHBondContact O-N 2.99Å; N136-N140 VanDerWaalsContact O-O 3.12Å; N136-P141 VanDerWaalsContact O-N 3.09Å
137M84.9Confident88.3Confident68 Ų6862 Ų6234%0.33536%0.361SS..THydrogen-bonded Turntrans-60.9-28.9-171-63.2-60.4-70.800113.9D124 Q145D124-M137 HydrophobicContact CB-CB 4.41Å; D124-M137 PolarHBondContact O-N 3.32Å; M137-Q145 HydrophobicContact CE-CG 4.1Å
138G79.2Confident88.6Confident68 Ų6861.6 Ų61.670%0.70136%0.359SS*.THydrogen-bonded Turntrans-88.7-19.6-179.700000115.4N136N136-G138 PolarHBondContact O-N 3.42Å; N136-G138 VanDerWaalsContact O-N 3.16Å; N136-G138 PolarHBondContact OD1-N 3.46Å
139F75Confident88.7Confident109 Ų10964.4 Ų64.448%0.47837%0.374SS..THydrogen-bonded Turntrans-122.8-42.4-173.6-179.8-98.5000114.2T19 N136T19-F139 HydrophobicContact CG2-CE1 4.34Å; N136-F139 PolarHBondContact O-N 3.43Å; N136-F139 PolarHBondContact OD1-N 3.25Å; N136-F139 VanDerWaalsContact OD1-N 3.11Å
140N84.4Confident89.2Confident82 Ų8267 Ų6744%0.43938%0.383SS..BIsolated β-bridgetrans-143.571.3-179.9-177.949.7000108.6N136N136-N140 PolarHBondContact N-O 2.64Å; N136-N140 CarbonylContact O-C 3.59Å; N136-N140 WeakPolarHBondContact O-CA 3.48Å; N136-N140 PolarHBondContact O-N 2.99Å; N136-N140 VanDerWaalsContact O-O 3.12Å
141P90.9Very high89.7Confident67 Ų6766.4 Ų66.444%0.43537%0.371SS..  trans-66.7148.9178.528.5-34.2000109.8N136N136-P141 VanDerWaalsContact O-N 3.09Å
142P93.9Very high90.3Very high13 Ų1366.6 Ų66.68%0.08438%0.379CS..  trans-64.5154.3170.431.4-35.2000110.4Y135 V144 K147 D149 L155Y135-P142 HydrophobicContact CD1-CB 3.8Å; Y135-P142 HydrophobicContact CE1-CB 4.09Å; Y135-P142 HydrophobicContact CG-CB 4.27Å; P142-V144 WeakPolarHBondContact CB-O 3.45Å; P142-V144 WeakPolarHBondContact CG-O 3.47Å; P142-V144 PolarHBondContact O-N 3.22Å; P142-K147 VanDerWaalsContact CB-O 3.23Å; P142-K147 WeakPolarHBondContact CB-O 3.48Å; P142-D149 WeakPolarHBondContact CA-OD1 3.16Å; P142-L155 HydrophobicContact CB-CD1 4.03Å; P142-L155 HydrophobicContact CG-CD1 3.95Å
143L94.8Very high90.9Very high147 Ų14770.2 Ų70.277%0.7739%0.39SS*.SBendtrans-58.3-35.7175.4-65.6175.5000111.6D149L143-D149 WeakPolarHBondContact CB-OD1 3.32Å; L143-D149 HydrophobicContact CD1-CB 4.18Å; L143-D149 HydrophobicContact CG-CB 4.41Å; L143-D149 PolarHBondContact N-OD1 2.82Å
144V95.3Very high91.4Very high84 Ų8473.1 Ų73.151%0.50941%0.41SS..SBendtrans-125125.2173.1-179.10000108.8P142 G146 K147P142-V144 WeakPolarHBondContact CB-O 3.45Å; P142-V144 WeakPolarHBondContact CG-O 3.47Å; P142-V144 PolarHBondContact O-N 3.22Å; V144-G146 PolarHBondContact O-N 2.92Å; V144-K147 HydrophobicContact CB-CB 4.21Å; V144-K147 HydrophobicContact CB-CD 4.44Å; V144-K147 HydrophobicContact CG1-CB 4.4Å; V144-K147 HydrophobicContact CG1-CD 3.97Å; V144-K147 HydrophobicContact CG1-CG 4.26Å; V144-K147 PolarHBondContact O-N 2.72Å
145Q94.4Very high91.7Very high156 Ų15670.4 Ų70.473%0.72939%0.393SS*.THydrogen-bonded Turntrans-53.5127-178.1-173.7173.9-0.300111.5M137 K147M137-Q145 HydrophobicContact CE-CG 4.1Å; Q145-K147 VanDerWaalsContact C-N 3.29Å; Q145-K147 PolarHBondContact O-N 3.4Å
146G93.4Very high91.9Very high17 Ų1773.4 Ų73.418%0.17541%0.409CS..THydrogen-bonded Turntrans77.1617900000115.4V144 L154 L155V144-G146 PolarHBondContact O-N 2.92Å; G146-L154 WeakPolarHBondContact O-CA 3.49Å; G146-L155 PolarHBondContact O-N 3.12Å
147K96.3Very high91.8Very high97 Ų9776.6 Ų76.642%0.42242%0.423SS..BIsolated β-bridgetrans-121.7145.1178.8-65-170.9176.7-174.80112.5P142 V144 Q145 E153P142-K147 VanDerWaalsContact CB-O 3.23Å; P142-K147 WeakPolarHBondContact CB-O 3.48Å; V144-K147 HydrophobicContact CB-CB 4.21Å; V144-K147 HydrophobicContact CB-CD 4.44Å; V144-K147 HydrophobicContact CG1-CB 4.4Å; V144-K147 HydrophobicContact CG1-CD 3.97Å; V144-K147 HydrophobicContact CG1-CG 4.26Å; V144-K147 PolarHBondContact O-N 2.72Å; Q145-K147 VanDerWaalsContact C-N 3.29Å; Q145-K147 PolarHBondContact O-N 3.4Å; K147-E153 CarbonylContact C-O 3.5Å; K147-E153 WeakPolarHBondContact CA-O 3.5Å
148D96.6Very high91.5Very high3 Ų377.5 Ų77.52%0.01643%0.426CS..  trans-72.2133.9172.1-177.979.8000111.3H128 R133 Y135 I150 T151 G152 E153 L155H128-D148 HydrophobicContact CB-CB 4.07Å; H128-D148 WeakPolarHBondContact CB-OD1 3.37Å; H128-D148 IonicContact CG-OD1 2.68Å; H128-D148 IonicContact ND1-OD1 3.63Å; H128-D148 PolarHBondContact ND1-OD1 2.84Å; H128-D148 IonicContact ND1-OD2 3.5Å; R133-D148 IonicContact CZ-OD1 3.96Å; R133-D148 IonicContact CZ-OD2 3.15Å; R133-D148 VanDerWaalsContact CZ-OD2 3.31Å; R133-D148 IonicContact NE-OD1 3.89Å; R133-D148 PolarHBondContact NE-OD1 3.21Å; R133-D148 IonicContact NE-OD2 3.88Å; R133-D148 PolarHBondContact NE-OD2 2.88Å; R133-D148 VanDerWaalsContact NH2-CG 3.32Å; R133-D148 IonicContact NH2-OD1 3.49Å; R133-D148 PolarHBondContact NH2-OD1 2.84Å; R133-D148 IonicContact NH2-OD2 3.9Å; R133-D148 PolarHBondContact NH2-OD2 2.75Å; Y135-D148 WeakPolarHBondContact CE2-OD1 3.39Å; Y135-D148 PolarHBondContact OH-OD1 2.65Å; D148-I150 PolarHBondContact O-N 2.7Å; D148-I150 PolarHBondContact OD2-N 3.22Å; D148-T151 PolarHBondContact OD2-N 3.34Å; D148-T151 PolarHBondContact OD2-OG1 3.43Å; D148-G152 VanDerWaalsContact O-CA 3.24Å; D148-G152 WeakPolarHBondContact O-CA 3.24Å; D148-G152 PolarHBondContact O-N 3.07Å; D148-E153 PolarHBondContact N-O 2.96Å; D148-L155 HydrophobicContact CB-CD2 3.97Å
149D95.8Very high91.3Very high64 Ų6479.4 Ų79.434%0.34242%0.42SS..THydrogen-bonded Turntrans-66.4-22-174.6-67.3-13.7000114.1Y135 P142 L143Y135-D149 HydrophobicContact CE1-CB 4.43Å; Y135-D149 WeakPolarHBondContact CE1-OD2 3.49Å; Y135-D149 PolarHBondContact OH-N 3.41Å; P142-D149 WeakPolarHBondContact CA-OD1 3.16Å; L143-D149 WeakPolarHBondContact CB-OD1 3.32Å; L143-D149 HydrophobicContact CD1-CB 4.18Å; L143-D149 HydrophobicContact CG-CB 4.41Å; L143-D149 PolarHBondContact N-OD1 2.82Å
150I94.8Very high91.1Very high126 Ų12677.9 Ų77.965%0.64642%0.417SS*.THydrogen-bonded Turntrans-97.2-45-177.4-68.8168.1000111.1D148D148-I150 PolarHBondContact O-N 2.7Å; D148-I150 PolarHBondContact OD2-N 3.22Å
151T96.5Very high90.5Very high66 Ų6674.5 Ų74.541%0.40540%0.399SS..THydrogen-bonded Turntrans-102.6-17.6-17361.40000113.7H128 D148 E153H128-T151 PolarHBondContact CE1-OG1 3.04Å; H128-T151 VanDerWaalsContact CE1-OG1 3.26Å; D148-T151 PolarHBondContact OD2-N 3.34Å; D148-T151 PolarHBondContact OD2-OG1 3.43Å; T151-E153 WeakPolarHBondContact CB-OE2 3.43Å; T151-E153 PolarHBondContact O-N 2.9Å; T151-E153 WeakPolarHBondContact OG1-CB 3.45Å; T151-E153 WeakPolarHBondContact OG1-CG 3.23Å; T151-E153 PolarHBondContact OG1-N 3.49Å; T151-E153 PolarHBondContact OG1-OE2 2.81Å
152G95.2Very high89.8Confident39 Ų3976.7 Ų76.740%0.40240%0.402SS..  trans71.42.2-172.300000114.2D148D148-G152 VanDerWaalsContact O-CA 3.24Å; D148-G152 WeakPolarHBondContact O-CA 3.24Å; D148-G152 PolarHBondContact O-N 3.07Å
153E96.8Very high88.9Confident97 Ų9779.3 Ų79.345%0.45342%0.418SS..PPolyproline II helixtrans-70.6159.6178.4-67.6169.2129.800111.5H128 K147 D148 T151H128-E153 IonicContact CE1-OE2 2.61Å; H128-E153 PolarHBondContact CE1-OE2 3.46Å; H128-E153 IonicContact NE2-OE2 3.54Å; H128-E153 PolarHBondContact NE2-OE2 3.4Å; K147-E153 CarbonylContact C-O 3.5Å; K147-E153 WeakPolarHBondContact CA-O 3.5Å; D148-E153 PolarHBondContact N-O 2.96Å; T151-E153 WeakPolarHBondContact CB-OE2 3.43Å; T151-E153 PolarHBondContact O-N 2.9Å; T151-E153 WeakPolarHBondContact OG1-CB 3.45Å; T151-E153 WeakPolarHBondContact OG1-CG 3.23Å; T151-E153 PolarHBondContact OG1-N 3.49Å; T151-E153 PolarHBondContact OG1-OE2 2.81Å
154L96.4Very high88Confident129 Ų12979.3 Ų79.368%0.67542%0.415SS*.BIsolated β-bridgetrans-68.2136.6-176.7-67175.3000112.2G146G146-L154 WeakPolarHBondContact O-CA 3.49Å
155L95Very high87.2Confident10 Ų1077 Ų775%0.05240%0.404CS..PPolyproline II helixtrans-83.4150.3167-56.8-180000110.2W126 H128 Y135 P142 G146 D148W126-L155 HydrophobicContact CB-CB 4.13Å; W126-L155 HydrophobicContact CB-CD1 4.03Å; W126-L155 HydrophobicContact CD2-CB 4.49Å; W126-L155 HydrophobicContact CE3-CB 3.74Å; H128-L155 HydrophobicContact CB-CD2 3.67Å; Y135-L155 HydrophobicContact CD2-CD1 3.58Å; Y135-L155 HydrophobicContact CD2-CD2 3.63Å; Y135-L155 HydrophobicContact CD2-CG 4.27Å; Y135-L155 HydrophobicContact CE2-CD1 4.07Å; Y135-L155 HydrophobicContact CE2-CD2 3.5Å; Y135-L155 HydrophobicContact CE2-CG 4.44Å; Y135-L155 HydrophobicContact CG-CD1 3.97Å; P142-L155 HydrophobicContact CB-CD1 4.03Å; P142-L155 HydrophobicContact CG-CD1 3.95Å; G146-L155 PolarHBondContact O-N 3.12Å; D148-L155 HydrophobicContact CB-CD2 3.97Å
156I92.3Very high86.6Confident73 Ų7369.7 Ų69.737%0.37437%0.37SS..BIsolated β-bridgetrans-124.7156.5174.268.9170.9000110.9W126 V127 P129W126-I156 WeakPolarHBondContact CA-O 3.31Å; V127-I156 PolarHBondContact N-O 3.02Å; V127-I156 PolarHBondContact O-N 3.43Å; P129-I156 HydrophobicContact CG-CD1 3.67Å; P129-I156 HydrophobicContact CG-CG1 3.8Å; P129-I156 HydrophobicContact CG-CG2 4.16Å
157Q86.8Confident86Confident93 Ų9373 Ų7344%0.43538%0.383SS..  trans-96.8139.8161.8-60.2-163.3-5100109S123 R125 W126S123-Q157 PolarHBondContact O-NE2 3.42Å; R125-Q157 WeakPolarHBondContact O-CG 3.48Å; R125-Q157 PolarHBondContact O-NE2 3.29Å; W126-Q157 HydrophobicContact CD2-CG 3.67Å; W126-Q157 HydrophobicContact CE3-CG 3.88Å; W126-Q157 HydrophobicContact CG-CG 4.26Å; W126-Q157 HydrophobicContact CH2-CG 4.01Å; W126-Q157 HydrophobicContact CZ2-CG 3.79Å; W126-Q157 HydrophobicContact CZ3-CG 4.05Å
158H77.6Confident85.4Confident88 Ų8871.5 Ų71.541%0.40739%0.388SS..  trans-79142.5176.8-103-79.6000110.7D160 D161H158-D160 HydrophobicContact CB-CB 4.43Å; H158-D160 PolarHBondContact O-N 3.21Å; H158-D161 WeakPolarHBondContact O-CB 3.38Å; H158-D161 PolarHBondContact O-N 3.03Å
159D74.3Confident84.8Confident108 Ų10875.3 Ų75.358%0.57840%0.402SS*.G310 helixtrans-56.9-32.1170.5-75.1-43.7000112.3D161 K162D159-D161 PolarHBondContact O-N 3.31Å; D159-K162 WeakPolarHBondContact O-CB 3.31Å; D159-K162 WeakPolarHBondContact O-CG 3.39Å; D159-K162 PolarHBondContact O-N 2.98Å; D159-K162 VanDerWaalsContact O-N 3.14Å; D159-K162 WeakPolarHBondContact OD1-CE 3.24Å; D159-K162 IonicContact OD1-NZ 2.84Å; D159-K162 PolarHBondContact OD1-NZ 2.93Å
160D71.9Confident84.3Confident76 Ų7673.1 Ų73.141%0.40639%0.39SS..G310 helixtrans-64.3-15.3174.9-68.9-15.4000114.5H158 R169H158-D160 HydrophobicContact CB-CB 4.43Å; H158-D160 PolarHBondContact O-N 3.21Å; D160-R169 IonicContact OD2-CZ 2.75Å; D160-R169 IonicContact OD2-NH2 3.43Å
161D71.9Confident84Confident12 Ų1275 Ų756%0.06439%0.389CS..G310 helixtrans-93.3-0.8179.7-63.2-22.9000111.2R125 H158 D159 R169R125-D161 IonicContact NH1-OD1 3.01Å; R125-D161 PolarHBondContact NH1-OD1 2.98Å; R125-D161 IonicContact NH1-OD2 2.7Å; R125-D161 PolarHBondContact NH1-OD2 3.44Å; H158-D161 WeakPolarHBondContact O-CB 3.38Å; H158-D161 PolarHBondContact O-N 3.03Å; D159-D161 PolarHBondContact O-N 3.31Å; D161-R169 IonicContact OD1-NH1 2.71Å; D161-R169 PolarHBondContact OD1-NH1 3.29Å; D161-R169 VanDerWaalsContact OD1-NH1 3.15Å
162K76.6Confident83.6Confident113 Ų11375 Ų7549%0.49139%0.385SS..SBendtrans-67.3147.5168.9-69.9171.8174.3161.10111.4D159 E164 A165 L166D159-K162 WeakPolarHBondContact O-CB 3.31Å; D159-K162 WeakPolarHBondContact O-CG 3.39Å; D159-K162 PolarHBondContact O-N 2.98Å; D159-K162 VanDerWaalsContact O-N 3.14Å; D159-K162 WeakPolarHBondContact OD1-CE 3.24Å; D159-K162 IonicContact OD1-NZ 2.84Å; D159-K162 PolarHBondContact OD1-NZ 2.93Å; K162-E164 VanDerWaalsContact C-N 3.31Å; K162-E164 PolarHBondContact O-N 3.02Å; K162-E164 VanDerWaalsContact O-N 3.16Å; K162-A165 PolarHBondContact O-N 2.67Å; K162-L166 WeakPolarHBondContact O-CB 3.48Å; K162-L166 PolarHBondContact O-N 3.27Å
163P73.2Confident83.4Confident67 Ų6775.7 Ų75.744%0.43538%0.375SS..Hα-helixtrans-53.6-40.9-172.2-27.835.5000115.1M167P163-M167 PolarHBondContact O-N 2.86Å
164E75.7Confident83.1Confident147 Ų14778.4 Ų78.469%0.68739%0.386SS*.Hα-helixtrans-70.3-45.9-177.6-59.173.2-157.500111.4K162 L166K162-E164 VanDerWaalsContact C-N 3.31Å; K162-E164 PolarHBondContact O-N 3.02Å; K162-E164 VanDerWaalsContact O-N 3.16Å; E164-L166 VanDerWaalsContact C-N 3.29Å; E164-L166 PolarHBondContact O-N 2.68Å
165A79.9Confident82.9Confident36 Ų3677.8 Ų77.830%0.29838%0.379SS..Hα-helixtrans-66.8-33.8177.200000111.6K162 M167 A168 R169K162-A165 PolarHBondContact O-N 2.67Å; A165-M167 PolarHBondContact O-N 3.21Å; A165-A168 PolarHBondContact O-N 2.9Å; A165-R169 WeakPolarHBondContact O-CB 3.35Å; A165-R169 PolarHBondContact O-N 3.2Å
166L80.4Confident82.8Confident2 Ų280.2 Ų80.21%0.0139%0.392CS..Hα-helixtrans-62.6-45.1179.9177.257.6000112.6K119 L122 K162 E164 A168 R169 L170K119-L166 HydrophobicContact CB-CD2 3.98Å; K119-L166 HydrophobicContact CG-CD2 4.23Å; L122-L166 HydrophobicContact CB-CD2 4.25Å; L122-L166 HydrophobicContact CD1-CD1 3.19Å; L122-L166 HydrophobicContact CD1-CD2 4Å; L122-L166 HydrophobicContact CD1-CG 4.24Å; L122-L166 HydrophobicContact CG-CD1 4.47Å; K162-L166 WeakPolarHBondContact O-CB 3.48Å; K162-L166 PolarHBondContact O-N 3.27Å; E164-L166 VanDerWaalsContact C-N 3.29Å; E164-L166 PolarHBondContact O-N 2.68Å; L166-A168 VanDerWaalsContact C-N 3.34Å; L166-A168 PolarHBondContact O-N 3.44Å; L166-R169 WeakPolarHBondContact O-CB 3.38Å; L166-R169 PolarHBondContact O-N 3.35Å; L166-L170 HydrophobicContact CD1-CD1 3.8Å; L166-L170 HydrophobicContact CD1-CD2 4.34Å; L166-L170 HydrophobicContact CD1-CG 3.75Å; L166-L170 HydrophobicContact CD2-CD1 4.45Å; L166-L170 HydrophobicContact CG-CD1 3.91Å; L166-L170 HydrophobicContact CG-CG 4.26Å; L166-L170 WeakPolarHBondContact O-CG 3.39Å; L166-L170 PolarHBondContact O-N 3.16Å
167M81.7Confident82.8Confident88 Ų8877 Ų7743%0.43338%0.376SS..Hα-helixtrans-59.3-46.1179.3-88.1-66.9-94.500112.1Y115 P163 A165 R169 L170 R171Y115-M167 HydrophobicContact CD2-SD 3.87Å; Y115-M167 HydrophobicContact CE1-SD 4.13Å; Y115-M167 HydrophobicContact CE2-CG 3.91Å; Y115-M167 HydrophobicContact CE2-SD 3.13Å; Y115-M167 WeakPolarHBondContact CE2-SD 3.34Å; Y115-M167 VanDerWaalsContact OH-CG 3.24Å; Y115-M167 WeakPolarHBondContact OH-CG 3.17Å; Y115-M167 PolarHBondContact OH-SD 3Å; Y115-M167 VanDerWaalsContact OH-SD 3.41Å; P163-M167 PolarHBondContact O-N 2.86Å; A165-M167 PolarHBondContact O-N 3.21Å; M167-R169 VanDerWaalsContact C-N 3.33Å; M167-R169 PolarHBondContact O-N 3.42Å; M167-L170 PolarHBondContact O-N 3.5Å; M167-R171 WeakPolarHBondContact O-CB 3.34Å; M167-R171 PolarHBondContact O-N 3.02Å
168A83.9Confident83.3Confident65 Ų6578.1 Ų78.154%0.53738%0.38SS..Hα-helixtrans-60.8-44.5176.400000111A165 L166 L170 R171 H172A165-A168 PolarHBondContact O-N 2.9Å; L166-A168 VanDerWaalsContact C-N 3.34Å; L166-A168 PolarHBondContact O-N 3.44Å; A168-L170 PolarHBondContact O-N 2.88Å; A168-R171 PolarHBondContact O-N 2.96Å; A168-H172 WeakPolarHBondContact O-CB 3.38Å; A168-H172 PolarHBondContact O-N 3.01Å
169R83.1Confident84.2Confident82 Ų8276.3 Ų76.331%0.30938%0.376SS..Hα-helixtrans-62.9-41.9179.3-166.5-178.9-169.1173.915.1113P13 D160 D161 A165 L166 M167 Y173P13-R169 HydrophobicContact CG-CG 4.24Å; D160-R169 IonicContact OD2-CZ 2.75Å; D160-R169 IonicContact OD2-NH2 3.43Å; D161-R169 IonicContact OD1-NH1 2.71Å; D161-R169 PolarHBondContact OD1-NH1 3.29Å; D161-R169 VanDerWaalsContact OD1-NH1 3.15Å; A165-R169 WeakPolarHBondContact O-CB 3.35Å; A165-R169 PolarHBondContact O-N 3.2Å; L166-R169 WeakPolarHBondContact O-CB 3.38Å; L166-R169 PolarHBondContact O-N 3.35Å; M167-R169 VanDerWaalsContact C-N 3.33Å; M167-R169 PolarHBondContact O-N 3.42Å; R169-Y173 WeakPolarHBondContact O-CB 3.28Å; R169-Y173 PolarHBondContact O-N 3.48Å
170L86.3Confident85.4Confident18 Ų1871.2 Ų71.29%0.09435%0.349CS..Hα-helixtrans-71.6-38.9178.9-70.2178.8000112.3P12 Y115 L118 L166 M167 A168 Y173 K174P12-L170 HydrophobicContact CB-CD2 3.58Å; Y115-L170 HydrophobicContact CD2-CD1 3.44Å; Y115-L170 VanDerWaalsContact CD2-CD1 3.44Å; Y115-L170 HydrophobicContact CE2-CD1 3.64Å; L118-L170 HydrophobicContact CB-CD1 4.25Å; L118-L170 HydrophobicContact CD1-CD1 4.13Å; L118-L170 HydrophobicContact CD1-CD2 3.87Å; L166-L170 HydrophobicContact CD1-CD1 3.8Å; L166-L170 HydrophobicContact CD1-CD2 4.34Å; L166-L170 HydrophobicContact CD1-CG 3.75Å; L166-L170 HydrophobicContact CD2-CD1 4.45Å; L166-L170 HydrophobicContact CG-CD1 3.91Å; L166-L170 HydrophobicContact CG-CG 4.26Å; L166-L170 WeakPolarHBondContact O-CG 3.39Å; L166-L170 PolarHBondContact O-N 3.16Å; M167-L170 PolarHBondContact O-N 3.5Å; A168-L170 PolarHBondContact O-N 2.88Å; L170-Y173 PolarHBondContact O-N 3.21Å; L170-K174 PolarHBondContact O-N 3.46Å
171R88Confident86.5Confident166 Ų16669.5 Ų69.563%0.62634%0.339SS*.Hα-helixtrans-59-50.7172.7-174.8-175.6-58.4-1731.8110.5M167 A168 Y173 K174 E175M167-R171 WeakPolarHBondContact O-CB 3.34Å; M167-R171 PolarHBondContact O-N 3.02Å; A168-R171 PolarHBondContact O-N 2.96Å; R171-Y173 VanDerWaalsContact C-N 3.35Å; R171-Y173 PolarHBondContact O-N 3.41Å; R171-K174 WeakPolarHBondContact O-CB 3.41Å; R171-K174 PolarHBondContact O-N 3.46Å; R171-K174 VanDerWaalsContact O-N 3.08Å; R171-E175 WeakPolarHBondContact O-CG 3.41Å; R171-E175 PolarHBondContact O-N 3.49Å
172H88.3Confident87.8Confident66 Ų6672.2 Ų72.231%0.30635%0.354SS..Hα-helixtrans-61.5-42.3179.7-172.760.2000112.3L62 A168 K174 E175 L176L62-H172 WeakPolarHBondContact CD1-NE2 3.24Å; A168-H172 WeakPolarHBondContact O-CB 3.38Å; A168-H172 PolarHBondContact O-N 3.01Å; H172-K174 VanDerWaalsContact C-N 3.32Å; H172-K174 PolarHBondContact O-N 3.14Å; H172-E175 IonicContact ND1-OE2 3.76Å; H172-E175 PolarHBondContact O-N 3.15Å; H172-L176 VanDerWaalsContact NE2-CD1 3.27Å; H172-L176 WeakPolarHBondContact NE2-CD1 3.29Å; H172-L176 WeakPolarHBondContact O-CG 3.49Å; H172-L176 PolarHBondContact O-N 2.94Å; H172-L176 VanDerWaalsContact O-N 3.13Å
173Y90.5Very high88.8Confident53 Ų5368.6 Ų68.621%0.20834%0.339CS..Hα-helixtrans-56.1-46.7172.2168.1-96000111.7G11 P12 R169 L170 R171 E175 L176 A177G11-Y173 WeakPolarHBondContact CA-OH 3.01Å; G11-Y173 PolarHBondContact N-OH 3.48Å; G11-Y173 VanDerWaalsContact N-OH 3.13Å; G11-Y173 WeakPolarHBondContact O-CE2 3.34Å; P12-Y173 HydrophobicContact CB-CD1 3.62Å; P12-Y173 HydrophobicContact CB-CE1 3.74Å; P12-Y173 HydrophobicContact CB-CG 4.16Å; P12-Y173 HydrophobicContact CG-CD1 4.43Å; P12-Y173 HydrophobicContact CG-CE1 4.12Å; P12-Y173 VanDerWaalsContact N-CZ 3.31Å; R169-Y173 WeakPolarHBondContact O-CB 3.28Å; R169-Y173 PolarHBondContact O-N 3.48Å; L170-Y173 PolarHBondContact O-N 3.21Å; R171-Y173 VanDerWaalsContact C-N 3.35Å; R171-Y173 PolarHBondContact O-N 3.41Å; Y173-E175 VanDerWaalsContact C-N 3.34Å; Y173-E175 PolarHBondContact O-N 3.19Å; Y173-L176 PolarHBondContact O-N 3.43Å; Y173-A177 HydrophobicContact CD1-CB 4.37Å; Y173-A177 HydrophobicContact CD2-CB 4.26Å; Y173-A177 HydrophobicContact CE1-CB 3.89Å; Y173-A177 HydrophobicContact CE2-CB 3.77Å; Y173-A177 WeakPolarHBondContact O-CB 3.2Å; Y173-A177 PolarHBondContact O-N 2.84Å
174K90.4Very high90Very high155 Ų15565.4 Ų65.467%0.67432%0.319SS*.Hα-helixtrans-62.9-40.9-177.8-172.7177.3179.4179.90111.9L170 R171 H172 K178L170-K174 PolarHBondContact O-N 3.46Å; R171-K174 WeakPolarHBondContact O-CB 3.41Å; R171-K174 PolarHBondContact O-N 3.46Å; R171-K174 VanDerWaalsContact O-N 3.08Å; H172-K174 VanDerWaalsContact C-N 3.32Å; H172-K174 PolarHBondContact O-N 3.14Å; K174-K178 VanDerWaalsContact O-CB 3.23Å; K174-K178 WeakPolarHBondContact O-CB 3.33Å; K174-K178 PolarHBondContact O-N 2.73Å
175E93.1Very high91Very high115 Ų11565.2 Ų65.254%0.53732%0.316SS..Hα-helixtrans-60.6-46.5176.5-71.4167-176.300111.7R171 H172 Y173 P179R171-E175 WeakPolarHBondContact O-CG 3.41Å; R171-E175 PolarHBondContact O-N 3.49Å; H172-E175 IonicContact ND1-OE2 3.76Å; H172-E175 PolarHBondContact O-N 3.15Å; Y173-E175 VanDerWaalsContact C-N 3.34Å; Y173-E175 PolarHBondContact O-N 3.19Å; E175-P179 WeakPolarHBondContact O-CD 3.37Å
176L92.8Very high91.9Very high61 Ų6168.3 Ų68.332%0.31934%0.335SS..Hα-helixtrans-74.2-38.8179.8-65.5-177.1000113.3R91 T92 H172 Y173 P179R91-L176 CarbonylContact O-C 3.56Å; T92-L176 HydrophobicContact CG2-CD1 4.22Å; T92-L176 HydrophobicContact CG2-CD2 4.16Å; H172-L176 VanDerWaalsContact NE2-CD1 3.27Å; H172-L176 WeakPolarHBondContact NE2-CD1 3.29Å; H172-L176 WeakPolarHBondContact O-CG 3.49Å; H172-L176 PolarHBondContact O-N 2.94Å; H172-L176 VanDerWaalsContact O-N 3.13Å; Y173-L176 PolarHBondContact O-N 3.43Å; L176-P179 WeakPolarHBondContact O-CD 3.44Å
177A93.3Very high92.7Very high6 Ų672.4 Ų72.45%0.0535%0.354CS..Hα-helixtrans-76.9-29.9-175.100000112.6Y173 V180 I181Y173-A177 HydrophobicContact CD1-CB 4.37Å; Y173-A177 HydrophobicContact CD2-CB 4.26Å; Y173-A177 HydrophobicContact CE1-CB 3.89Å; Y173-A177 HydrophobicContact CE2-CB 3.77Å; Y173-A177 WeakPolarHBondContact O-CB 3.2Å; Y173-A177 PolarHBondContact O-N 2.84Å; A177-V180 WeakPolarHBondContact O-CB 3.35Å; A177-V180 PolarHBondContact O-N 3.43Å; A177-V180 VanDerWaalsContact O-N 3.1Å; A177-I181 HydrophobicContact CB-CD1 4.22Å; A177-I181 WeakPolarHBondContact O-CB 3.5Å; A177-I181 VanDerWaalsContact O-CG1 3.29Å; A177-I181 WeakPolarHBondContact O-CG1 3.09Å; A177-I181 PolarHBondContact O-N 3.19Å
178K95.7Very high93.4Very high117 Ų11771.2 Ų71.251%0.50936%0.364SS..Hα-helixtrans-55.6-51.6-177.6168.7169.7175.6480112.6K174 V180 I181 D182K174-K178 VanDerWaalsContact O-CB 3.23Å; K174-K178 WeakPolarHBondContact O-CB 3.33Å; K174-K178 PolarHBondContact O-N 2.73Å; K178-V180 VanDerWaalsContact C-N 3.27Å; K178-V180 PolarHBondContact O-N 2.88Å; K178-I181 PolarHBondContact O-N 2.94Å; K178-D182 WeakPolarHBondContact CG-OD2 3.49Å; K178-D182 IonicContact NZ-OD1 2.7Å; K178-D182 IonicContact NZ-OD2 3.43Å; K178-D182 PolarHBondContact NZ-OD2 3.37Å; K178-D182 WeakPolarHBondContact O-CB 3.34Å; K178-D182 VanDerWaalsContact O-CG 3.26Å; K178-D182 PolarHBondContact O-N 2.85Å
179P97.9Very high94Very high50 Ų5069.1 Ų69.133%0.32535%0.345SS..Hα-helixtrans-59-35.1175.8-2735.6000114.1L93 E175 L176 L183L93-P179 HydrophobicContact CB-CB 4.03Å; L93-P179 HydrophobicContact CD2-CB 4.3Å; E175-P179 WeakPolarHBondContact O-CD 3.37Å; L176-P179 WeakPolarHBondContact O-CD 3.44Å; P179-L183 WeakPolarHBondContact O-CB 3.21Å; P179-L183 PolarHBondContact O-N 3.32Å
180V97.9Very high94.6Very high1 Ų166.4 Ų66.41%0.00634%0.337CS..Hα-helixtrans-69.3-44.2178.1-177.60000111L10 P90 T92 A96 A177 K178 L183 Y184L10-V180 HydrophobicContact CD1-CG1 3.81Å; P90-V180 HydrophobicContact CG-CG1 4.07Å; T92-V180 WeakPolarHBondContact O-CG2 3.27Å; A96-V180 HydrophobicContact CB-CG1 4.2Å; A96-V180 HydrophobicContact CB-CG2 4.5Å; A177-V180 WeakPolarHBondContact O-CB 3.35Å; A177-V180 PolarHBondContact O-N 3.43Å; A177-V180 VanDerWaalsContact O-N 3.1Å; K178-V180 VanDerWaalsContact C-N 3.27Å; K178-V180 PolarHBondContact O-N 2.88Å; V180-L183 PolarHBondContact O-N 3.09Å; V180-Y184 HydrophobicContact CG1-CD2 3.76Å; V180-Y184 HydrophobicContact CG1-CE2 3.6Å; V180-Y184 VanDerWaalsContact O-CD2 3.23Å; V180-Y184 WeakPolarHBondContact O-CD2 3.45Å; V180-Y184 PolarHBondContact O-N 2.97Å; V180-Y184 VanDerWaalsContact O-N 3.09Å
181I96.8Very high94.9Very high39 Ų3967.9 Ų67.920%0.234%0.343CS..Hα-helixtrans-61.3-47.4175.7-71.5168.9000109.7L10 A177 K178 L183 Y184 K185 L190L10-I181 HydrophobicContact CD1-CG1 4.16Å; A177-I181 HydrophobicContact CB-CD1 4.22Å; A177-I181 WeakPolarHBondContact O-CB 3.5Å; A177-I181 VanDerWaalsContact O-CG1 3.29Å; A177-I181 WeakPolarHBondContact O-CG1 3.09Å; A177-I181 PolarHBondContact O-N 3.19Å; K178-I181 PolarHBondContact O-N 2.94Å; I181-L183 VanDerWaalsContact C-N 3.34Å; I181-L183 PolarHBondContact O-N 2.9Å; I181-Y184 PolarHBondContact O-N 3.11Å; I181-K185 VanDerWaalsContact O-CB 3.24Å; I181-K185 WeakPolarHBondContact O-CB 3.25Å; I181-K185 PolarHBondContact O-N 3.41Å; I181-L190 HydrophobicContact CG2-CD2 3.67Å
182D97.9Very high95.1Very high69 Ų6963.2 Ų63.237%0.36934%0.336SS..Hα-helixtrans-61.7-41.6-179.6-69.6-23.2000111.2K178 K185 S186K178-D182 WeakPolarHBondContact CG-OD2 3.49Å; K178-D182 IonicContact NZ-OD1 2.7Å; K178-D182 IonicContact NZ-OD2 3.43Å; K178-D182 PolarHBondContact NZ-OD2 3.37Å; K178-D182 WeakPolarHBondContact O-CB 3.34Å; K178-D182 VanDerWaalsContact O-CG 3.26Å; K178-D182 PolarHBondContact O-N 2.85Å; D182-K185 PolarHBondContact O-N 3.31Å; D182-S186 PolarHBondContact O-N 3.3Å
183L98.4Very high94.9Very high37 Ų3761.5 Ų61.519%0.19433%0.327CS..Hα-helixtrans-58.6-52.8173.9173.767.5000112.5L93 A96 P179 V180 I181 K185 S186 Q187L93-L183 HydrophobicContact CD1-CB 4.26Å; L93-L183 HydrophobicContact CD1-CD2 3.89Å; A96-L183 HydrophobicContact CB-CD2 3.81Å; P179-L183 WeakPolarHBondContact O-CB 3.21Å; P179-L183 PolarHBondContact O-N 3.32Å; V180-L183 PolarHBondContact O-N 3.09Å; I181-L183 VanDerWaalsContact C-N 3.34Å; I181-L183 PolarHBondContact O-N 2.9Å; L183-K185 VanDerWaalsContact C-N 3.29Å; L183-K185 PolarHBondContact O-N 3.05Å; L183-S186 PolarHBondContact O-N 2.94Å; L183-S186 PolarHBondContact O-OG 3.05Å; L183-Q187 WeakPolarHBondContact O-CG 3.45Å; L183-Q187 PolarHBondContact O-N 3.39Å
184Y98.2Very high94.5Very high0 Ų062.8 Ų62.80%034%0.344CS..Hα-helixtrans-73.6-24.5-177-70.5-56.8000112.7P90 A96 N100 M105 V108 V180 I181 G188 V189 L190P90-Y184 HydrophobicContact CG-CE2 3.91Å; A96-Y184 HydrophobicContact CB-CE2 4.18Å; N100-Y184 WeakPolarHBondContact OD1-CE1 3.39Å; N100-Y184 PolarHBondContact OD1-OH 3.09Å; M105-Y184 HydrophobicContact CB-CE1 4.09Å; M105-Y184 HydrophobicContact CG-CE1 3.76Å; V108-Y184 HydrophobicContact CB-CD2 4.3Å; V108-Y184 HydrophobicContact CB-CG 4.16Å; V108-Y184 HydrophobicContact CG1-CD2 3.95Å; V108-Y184 HydrophobicContact CG1-CG 4.28Å; V108-Y184 HydrophobicContact CG2-CD1 3.75Å; V108-Y184 HydrophobicContact CG2-CD2 3.84Å; V108-Y184 HydrophobicContact CG2-CE1 4.08Å; V108-Y184 HydrophobicContact CG2-CE2 4.15Å; V108-Y184 HydrophobicContact CG2-CG 3.63Å; V180-Y184 HydrophobicContact CG1-CD2 3.76Å; V180-Y184 HydrophobicContact CG1-CE2 3.6Å; V180-Y184 VanDerWaalsContact O-CD2 3.23Å; V180-Y184 WeakPolarHBondContact O-CD2 3.45Å; V180-Y184 PolarHBondContact O-N 2.97Å; V180-Y184 VanDerWaalsContact O-N 3.09Å; I181-Y184 PolarHBondContact O-N 3.11Å; Y184-G188 PolarHBondContact O-N 3.46Å; Y184-V189 HydrophobicContact CD1-CG2 3.82Å; Y184-V189 HydrophobicContact CG-CG2 4.39Å; Y184-V189 PolarHBondContact O-N 3.27Å; Y184-L190 PolarHBondContact O-N 3.01Å
185K97.4Very high93.8Very high144 Ų14456.4 Ų56.463%0.62632%0.323SS*.Hα-helixtrans-65.2-46.9169.5-171.2178.9179.6-177.70111.1I181 D182 L183 Q187 G188 L190I181-K185 VanDerWaalsContact O-CB 3.24Å; I181-K185 WeakPolarHBondContact O-CB 3.25Å; I181-K185 PolarHBondContact O-N 3.41Å; D182-K185 PolarHBondContact O-N 3.31Å; L183-K185 VanDerWaalsContact C-N 3.29Å; L183-K185 PolarHBondContact O-N 3.05Å; K185-Q187 PolarHBondContact O-N 3.48Å; K185-G188 PolarHBondContact O-N 3.27Å; K185-L190 HydrophobicContact CB-CB 4.35Å; K185-L190 HydrophobicContact CB-CD2 3.79Å; K185-L190 HydrophobicContact CG-CD2 4.36Å
186S97.6Very high92.8Very high101 Ų10154.2 Ų54.271%0.70632%0.317SS*.Hα-helixtrans-66.3-25.2179.172.10000112.9D182 L183 G188D182-S186 PolarHBondContact O-N 3.3Å; L183-S186 PolarHBondContact O-N 2.94Å; L183-S186 PolarHBondContact O-OG 3.05Å; S186-G188 VanDerWaalsContact C-N 3.31Å
187Q97.3Very high91.6Very high87 Ų8755.4 Ų55.441%0.40732%0.321SS..THydrogen-bonded Turntrans-80.9-6.6173.4-68.4179-0.100113.9N100 L183 K185 V189N100-Q187 PolarHBondContact ND2-NE2 3.16Å; L183-Q187 WeakPolarHBondContact O-CG 3.45Å; L183-Q187 PolarHBondContact O-N 3.39Å; K185-Q187 PolarHBondContact O-N 3.48Å; Q187-V189 VanDerWaalsContact C-N 3.27Å; Q187-V189 HydrophobicContact CB-CG2 4.1Å; Q187-V189 PolarHBondContact O-N 2.71Å
188G96.7Very high90.4Very high63 Ų6355.9 Ų55.965%0.64932%0.323SS*.THydrogen-bonded Turntrans71.616.4179.300000114.9Y184 K185 S186Y184-G188 PolarHBondContact O-N 3.46Å; K185-G188 PolarHBondContact O-N 3.27Å; S186-G188 VanDerWaalsContact C-N 3.31Å
189V96.2Very high89.3Confident21 Ų2154.5 Ų54.513%0.12732%0.321CS..  trans-107.5-5.7-178.7-60.20000113.2M105 V108 Y184 Q187M105-V189 WeakPolarHBondContact O-CG1 3.43Å; V108-V189 HydrophobicContact CG2-CG2 4.24Å; V108-V189 PolarHBondContact N-O 3.26Å; Y184-V189 HydrophobicContact CD1-CG2 3.82Å; Y184-V189 HydrophobicContact CG-CG2 4.39Å; Y184-V189 PolarHBondContact O-N 3.27Å; Q187-V189 VanDerWaalsContact C-N 3.27Å; Q187-V189 HydrophobicContact CB-CG2 4.1Å; Q187-V189 PolarHBondContact O-N 2.71Å
190L96.3Very high88.2Confident26 Ų2658.1 Ų58.114%0.13633%0.332CS..EExtended strand (participates in β ladder)trans-82.2128178.5-174.878.1000112.2V108 I181 Y184 K185V108-L190 HydrophobicContact CB-CD1 4.15Å; V108-L190 HydrophobicContact CG1-CD1 3.82Å; V108-L190 CarbonylContact O-C 3.58Å; V108-L190 WeakPolarHBondContact O-CA 3.48Å; I181-L190 HydrophobicContact CG2-CD2 3.67Å; Y184-L190 PolarHBondContact O-N 3.01Å; K185-L190 HydrophobicContact CB-CB 4.35Å; K185-L190 HydrophobicContact CB-CD2 3.79Å; K185-L190 HydrophobicContact CG-CD2 4.36Å
191H93Very high87.1Confident48 Ų4858 Ų5822%0.22233%0.332CS..EExtended strand (participates in β ladder)trans-117.7114.2166.4-67.3-98.8000109.5L107 V108 I109 S110 L208L107-H191 HydrophobicContact CD1-CB 4.44Å; L107-H191 WeakPolarHBondContact CD1-CD2 3.4Å; V108-H191 PolarHBondContact O-N 3.45Å; I109-H191 CarbonylContact C-O 3.6Å; I109-H191 WeakPolarHBondContact CA-O 3.47Å; S110-H191 PolarHBondContact N-O 2.85Å; H191-L208 HydrophobicContact CB-CD2 3.88Å; H191-L208 VanDerWaalsContact CE1-CD1 3.44Å; H191-L208 WeakPolarHBondContact CE1-CD1 3.25Å
192S90.8Very high86.3Confident69 Ų6957.4 Ų57.448%0.48333%0.327SS..EExtended strand (participates in β ladder)trans-91.4134.4176.4-64.10000110.6S110S110-S192 CarbonylContact O-C 3.57Å; S110-S192 WeakPolarHBondContact O-CA 3.46Å
193F85.3Confident85.5Confident29 Ų2957.7 Ų57.713%0.12733%0.333CS..EExtended strand (participates in β ladder)trans-110.5133.8168.8179.1-81.9000109.4S110 L111 N112 G195 I201 Y204S110-F193 PolarHBondContact O-N 2.9Å; L111-F193 HydrophobicContact CD2-CB 4.34Å; N112-F193 WeakPolarHBondContact CA-O 3.43Å; N112-F193 WeakPolarHBondContact CB-O 3.17Å; N112-F193 PolarHBondContact N-O 3.33Å; F193-G195 VanDerWaalsContact CE1-CA 3.47Å; F193-G195 VanDerWaalsContact CE1-N 3.29Å; F193-I201 HydrophobicContact CD1-CB 4.4Å; F193-I201 HydrophobicContact CD1-CD1 3.86Å; F193-I201 HydrophobicContact CD1-CG1 3.43Å; F193-I201 VanDerWaalsContact CD1-CG1 3.43Å; F193-I201 HydrophobicContact CD1-CG2 4.39Å; F193-I201 HydrophobicContact CD2-CB 4.48Å; F193-I201 HydrophobicContact CD2-CG1 4.24Å; F193-I201 HydrophobicContact CD2-CG2 4.32Å; F193-I201 HydrophobicContact CE1-CB 4.25Å; F193-I201 HydrophobicContact CE1-CD1 3.77Å; F193-I201 HydrophobicContact CE1-CG1 3.12Å; F193-I201 HydrophobicContact CE2-CB 4.29Å; F193-I201 HydrophobicContact CE2-CG1 3.97Å; F193-I201 HydrophobicContact CG-CG1 3.99Å; F193-I201 HydrophobicContact CG-CG2 4.19Å; F193-I201 HydrophobicContact CZ-CB 4.16Å; F193-I201 HydrophobicContact CZ-CD1 4.49Å; F193-I201 HydrophobicContact CZ-CG1 3.4Å; F193-Y204 HydrophobicContact CD2-CD1 4.25Å
194S82.6Confident84.7Confident80 Ų8060.9 Ų60.956%0.55934%0.343SS*.EExtended strand (participates in β ladder)trans-120.9126.2170.4-76.40000110.5N112N112-S194 PolarHBondContact ND2-OG 3.08Å; N112-S194 WeakPolarHBondContact O-CA 3.4Å
195G74Confident83.8Confident22 Ų2260.9 Ų60.923%0.22734%0.343CS..  trans171.4176.9177.900000112.3I113 F193I113-G195 WeakPolarHBondContact CD1-O 3.4Å; F193-G195 VanDerWaalsContact CE1-CA 3.47Å; F193-G195 VanDerWaalsContact CE1-N 3.29Å
196T71.8Confident83.1Confident69 Ų6956.8 Ų56.842%0.42333%0.328SS..SBendtrans-111.1-12.7-170.951.60000113.6P114 R121P114-T196 HydrophobicContact CG-CG2 4.01Å; R121-T196 PolarHBondContact NH2-O 2.87Å
197E68.8Low82.5Confident86 Ų8655.4 Ų55.440%0.40232%0.318SS..  trans-123.2125.4-173.8-70.7166.3-131.400111.1D199 K200 I201E197-D199 PolarHBondContact O-N 3.2Å; E197-K200 HydrophobicContact CB-CB 4.4Å; E197-K200 HydrophobicContact CB-CD 4.2Å; E197-K200 HydrophobicContact CB-CG 4.24Å; E197-K200 PolarHBondContact O-N 3.36Å; E197-K200 IonicContact OE1-NZ 3.01Å; E197-K200 PolarHBondContact OE1-NZ 2.87Å; E197-K200 WeakPolarHBondContact OE2-CD 3.29Å; E197-K200 WeakPolarHBondContact OE2-CE 3.33Å; E197-K200 IonicContact OE2-NZ 3.31Å; E197-K200 PolarHBondContact OE2-NZ 2.71Å; E197-I201 WeakPolarHBondContact O-CG1 3.27Å; E197-I201 PolarHBondContact O-N 3.31Å
198T68.9Low81.9Confident15 Ų1552.4 Ų52.49%0.09231%0.305CS..Hα-helixtrans-60.7-32.6179-53.50000112.3T19 I20 K200 I201 W202T19-T198 HydrophobicContact CG2-CG2 4.34Å; I20-T198 HydrophobicContact CD1-CG2 4.1Å; I20-T198 HydrophobicContact CG1-CG2 3.89Å; T198-K200 VanDerWaalsContact C-N 3.3Å; T198-K200 PolarHBondContact O-N 3.24Å; T198-I201 VanDerWaalsContact O-CB 3.27Å; T198-I201 WeakPolarHBondContact O-CB 3.47Å; T198-I201 PolarHBondContact O-N 2.94Å; T198-I201 VanDerWaalsContact O-N 3.11Å; T198-W202 PolarHBondContact O-N 3.26Å
199D70.9Confident81.2Confident88 Ų8849.5 Ų49.547%0.47127%0.274SS..Hα-helixtrans-73.3-21.4-179-65.2-43.7000113.6R23 E197 P203R23-D199 IonicContact NH1-OD1 2.76Å; E197-D199 PolarHBondContact O-N 3.2Å; D199-P203 WeakPolarHBondContact O-CD 3.44Å
200K75.8Confident80.6Confident126 Ų12649.9 Ų49.955%0.54828%0.278SS..Hα-helixtrans-81.9-22.5169.9-67.9177.5178.71550112.3E197 T198E197-K200 HydrophobicContact CB-CB 4.4Å; E197-K200 HydrophobicContact CB-CD 4.2Å; E197-K200 HydrophobicContact CB-CG 4.24Å; E197-K200 PolarHBondContact O-N 3.36Å; E197-K200 IonicContact OE1-NZ 3.01Å; E197-K200 PolarHBondContact OE1-NZ 2.87Å; E197-K200 WeakPolarHBondContact OE2-CD 3.29Å; E197-K200 WeakPolarHBondContact OE2-CE 3.33Å; E197-K200 IonicContact OE2-NZ 3.31Å; E197-K200 PolarHBondContact OE2-NZ 2.71Å; T198-K200 VanDerWaalsContact C-N 3.3Å; T198-K200 PolarHBondContact O-N 3.24Å
201I74.1Confident79.8Confident0 Ų052.5 Ų52.50%030%0.295CS..Hα-helixtrans-67.7-42.6175.2-61.5174.1000110.7I20 L111 I113 F193 E197 T198 Y204 I205I20-I201 HydrophobicContact CD1-CB 4.03Å; I20-I201 HydrophobicContact CD1-CD1 3.73Å; I20-I201 HydrophobicContact CD1-CG1 4.4Å; I20-I201 HydrophobicContact CD1-CG2 3.54Å; I20-I201 HydrophobicContact CG1-CG2 4.21Å; L111-I201 HydrophobicContact CD2-CD1 4.35Å; L111-I201 HydrophobicContact CD2-CG2 4.03Å; I113-I201 HydrophobicContact CD1-CD1 4Å; F193-I201 HydrophobicContact CD1-CB 4.4Å; F193-I201 HydrophobicContact CD1-CD1 3.86Å; F193-I201 HydrophobicContact CD1-CG1 3.43Å; F193-I201 VanDerWaalsContact CD1-CG1 3.43Å; F193-I201 HydrophobicContact CD1-CG2 4.39Å; F193-I201 HydrophobicContact CD2-CB 4.48Å; F193-I201 HydrophobicContact CD2-CG1 4.24Å; F193-I201 HydrophobicContact CD2-CG2 4.32Å; F193-I201 HydrophobicContact CE1-CB 4.25Å; F193-I201 HydrophobicContact CE1-CD1 3.77Å; F193-I201 HydrophobicContact CE1-CG1 3.12Å; F193-I201 HydrophobicContact CE2-CB 4.29Å; F193-I201 HydrophobicContact CE2-CG1 3.97Å; F193-I201 HydrophobicContact CG-CG1 3.99Å; F193-I201 HydrophobicContact CG-CG2 4.19Å; F193-I201 HydrophobicContact CZ-CB 4.16Å; F193-I201 HydrophobicContact CZ-CD1 4.49Å; F193-I201 HydrophobicContact CZ-CG1 3.4Å; E197-I201 WeakPolarHBondContact O-CG1 3.27Å; E197-I201 PolarHBondContact O-N 3.31Å; T198-I201 VanDerWaalsContact O-CB 3.27Å; T198-I201 WeakPolarHBondContact O-CB 3.47Å; T198-I201 PolarHBondContact O-N 2.94Å; T198-I201 VanDerWaalsContact O-N 3.11Å; I201-Y204 PolarHBondContact O-N 3.35Å; I201-I205 HydrophobicContact CG2-CD1 3.39Å; I201-I205 HydrophobicContact CG2-CG1 3.99Å; I201-I205 WeakPolarHBondContact O-CG1 3.44Å; I201-I205 PolarHBondContact O-N 3.23Å; I201-I205 VanDerWaalsContact O-N 3.17Å
202W79.8Confident78.9Confident25 Ų2553.7 Ų53.710%0.09530%0.3CS..Hα-helixtrans-62.5-49.5-170.3173-103.2000114.7R23 I24 S27 F28 T198 Y204 I205 N206R23-W202 HydrophobicContact CB-CE3 4.03Å; R23-W202 HydrophobicContact CB-CH2 4.3Å; R23-W202 HydrophobicContact CB-CZ3 3.84Å; R23-W202 HydrophobicContact CG-CD2 3.83Å; R23-W202 HydrophobicContact CG-CE3 3.68Å; R23-W202 HydrophobicContact CG-CH2 3.75Å; R23-W202 HydrophobicContact CG-CZ2 3.89Å; R23-W202 HydrophobicContact CG-CZ3 3.64Å; R23-W202 VanDerWaalsContact NE-CD2 3.26Å; R23-W202 VanDerWaalsContact NE-CE2 3.28Å; R23-W202 VanDerWaalsContact NE-CG 3.29Å; R23-W202 WeakPolarHBondContact O-CH2 3.35Å; I24-W202 HydrophobicContact CB-CZ3 4.33Å; I24-W202 HydrophobicContact CG1-CZ3 3.7Å; S27-W202 VanDerWaalsContact OG-CH2 3.31Å; S27-W202 WeakPolarHBondContact OG-CH2 3.34Å; S27-W202 VanDerWaalsContact OG-CZ2 3.32Å; S27-W202 WeakPolarHBondContact OG-CZ2 3.3Å; F28-W202 HydrophobicContact CD2-CH2 4.47Å; F28-W202 AromaticContact CE2-CH2 3.96Å; F28-W202 HydrophobicContact CE2-CH2 3.96Å; T198-W202 PolarHBondContact O-N 3.26Å; W202-Y204 PolarHBondContact O-N 3Å; W202-I205 HydrophobicContact CE3-CG2 4.47Å; W202-I205 HydrophobicContact CZ3-CG2 4.35Å; W202-I205 PolarHBondContact O-N 3.07Å; W202-I205 VanDerWaalsContact O-N 3.14Å; W202-N206 HydrophobicContact CD2-CB 4.49Å; W202-N206 HydrophobicContact CZ2-CB 4.14Å; W202-N206 WeakPolarHBondContact O-CB 3.32Å; W202-N206 PolarHBondContact O-N 3.35Å
203P81.3Confident78.1Confident76 Ų7653.8 Ų53.849%0.49429%0.293SS..Hα-helixtrans-55.6-39.4-179.6-27.634.7000113.1D199 S207D199-P203 WeakPolarHBondContact O-CD 3.44Å; P203-S207 WeakPolarHBondContact O-CB 3.49Å; P203-S207 PolarHBondContact O-N 3.4Å
204Y81.3Confident77Confident103 Ų10359.7 Ų59.740%0.40432%0.321SS..Hα-helixtrans-65-49.6176.4175.1-98.7000112F193 I201 W202 N206 S207 L208F193-Y204 HydrophobicContact CD2-CD1 4.25Å; I201-Y204 PolarHBondContact O-N 3.35Å; W202-Y204 PolarHBondContact O-N 3Å; Y204-N206 VanDerWaalsContact C-N 3.3Å; Y204-N206 PolarHBondContact O-N 2.83Å; Y204-S207 PolarHBondContact O-N 3.49Å; Y204-L208 WeakPolarHBondContact O-CB 3.43Å; Y204-L208 PolarHBondContact O-N 3.06Å
205I80.3Confident75.3Confident1 Ų160.6 Ų60.61%0.00532%0.323CS..Hα-helixtrans-60.5-42.4177.5-70.5-178.6000111I20 I24 I109 I201 W202 L208 L209I20-I205 HydrophobicContact CG2-CD1 3.4Å; I20-I205 VanDerWaalsContact CG2-CD1 3.4Å; I24-I205 HydrophobicContact CD1-CD1 4.38Å; I24-I205 HydrophobicContact CD1-CG2 3.63Å; I24-I205 HydrophobicContact CG1-CG2 3.61Å; I109-I205 HydrophobicContact CD1-CD1 4.1Å; I109-I205 HydrophobicContact CD1-CG1 4.19Å; I109-I205 HydrophobicContact CD1-CG2 4.05Å; I109-I205 HydrophobicContact CG2-CD1 4.1Å; I201-I205 HydrophobicContact CG2-CD1 3.39Å; I201-I205 HydrophobicContact CG2-CG1 3.99Å; I201-I205 WeakPolarHBondContact O-CG1 3.44Å; I201-I205 PolarHBondContact O-N 3.23Å; I201-I205 VanDerWaalsContact O-N 3.17Å; W202-I205 HydrophobicContact CE3-CG2 4.47Å; W202-I205 HydrophobicContact CZ3-CG2 4.35Å; W202-I205 PolarHBondContact O-N 3.07Å; W202-I205 VanDerWaalsContact O-N 3.14Å; I205-L208 PolarHBondContact O-N 3.09Å; I205-L209 HydrophobicContact CG2-CD1 3.71Å; I205-L209 HydrophobicContact CG2-CG 4.38Å; I205-L209 WeakPolarHBondContact O-CB 3.47Å; I205-L209 WeakPolarHBondContact O-CG 3.48Å; I205-L209 PolarHBondContact O-N 2.87Å
206N82.3Confident73.8Confident57 Ų5763.4 Ų63.431%0.30533%0.331SS..Hα-helixtrans-60.3-50177.7-172.166000110.7F28 W202 Y204 L208 L209 S210F28-N206 VanDerWaalsContact CZ-OD1 3.28Å; F28-N206 WeakPolarHBondContact CZ-OD1 3.42Å; W202-N206 HydrophobicContact CD2-CB 4.49Å; W202-N206 HydrophobicContact CZ2-CB 4.14Å; W202-N206 WeakPolarHBondContact O-CB 3.32Å; W202-N206 PolarHBondContact O-N 3.35Å; Y204-N206 VanDerWaalsContact C-N 3.3Å; Y204-N206 PolarHBondContact O-N 2.83Å; N206-L208 VanDerWaalsContact C-N 3.31Å; N206-L208 PolarHBondContact O-N 3.49Å; N206-L209 PolarHBondContact O-N 3.3Å; N206-S210 VanDerWaalsContact O-CB 3.28Å; N206-S210 WeakPolarHBondContact O-CB 3.3Å; N206-S210 PolarHBondContact O-N 3.44Å; N206-S210 PolarHBondContact O-OG 2.94Å
207S84.9Confident72Confident72 Ų7266 Ų6650%0.50335%0.349SS..Hα-helixtrans-58.2-42.6176.5-171.60000112.6P203 Y204 T211P203-S207 WeakPolarHBondContact O-CB 3.49Å; P203-S207 PolarHBondContact O-N 3.4Å; Y204-S207 PolarHBondContact O-N 3.49Å; S207-T211 PolarHBondContact O-N 3.49Å; S207-T211 VanDerWaalsContact O-N 3.09Å; S207-T211 PolarHBondContact O-OG1 2.87Å
208L84.1Confident70.5Confident25 Ų2567.2 Ų67.213%0.13137%0.367CS..Hα-helixtrans-63-47.5178.8177.163.7000111.8L107 H191 Y204 I205 N206 T211 K212L107-L208 HydrophobicContact CD1-CD2 3.76Å; L107-L208 HydrophobicContact CD2-CD2 4.43Å; H191-L208 HydrophobicContact CB-CD2 3.88Å; H191-L208 VanDerWaalsContact CE1-CD1 3.44Å; H191-L208 WeakPolarHBondContact CE1-CD1 3.25Å; Y204-L208 WeakPolarHBondContact O-CB 3.43Å; Y204-L208 PolarHBondContact O-N 3.06Å; I205-L208 PolarHBondContact O-N 3.09Å; N206-L208 VanDerWaalsContact C-N 3.31Å; N206-L208 PolarHBondContact O-N 3.49Å; L208-T211 PolarHBondContact O-N 3.32Å; L208-K212 PolarHBondContact O-N 3.2Å; L208-K212 VanDerWaalsContact O-N 3.14Å
209L83.1Confident68.9Low1 Ų169.9 Ų69.91%0.00540%0.397CS..Hα-helixtrans-71.4-42.4-178.9-76.5172.5000112.2L5 I24 F28 L107 I205 N206 T211 K212 M213L5-L209 HydrophobicContact CD2-CD2 3.85Å; I24-L209 HydrophobicContact CB-CD1 4.32Å; I24-L209 HydrophobicContact CD1-CD1 4.35Å; I24-L209 HydrophobicContact CG1-CD1 3.99Å; I24-L209 HydrophobicContact CG2-CD1 3.54Å; F28-L209 HydrophobicContact CD1-CB 4.27Å; F28-L209 HydrophobicContact CD2-CB 4.2Å; F28-L209 HydrophobicContact CD2-CD1 3.66Å; F28-L209 HydrophobicContact CE1-CB 3.74Å; F28-L209 HydrophobicContact CE2-CB 3.69Å; F28-L209 HydrophobicContact CE2-CD1 3.55Å; F28-L209 HydrophobicContact CE2-CG 4.29Å; F28-L209 HydrophobicContact CG-CB 4.47Å; F28-L209 HydrophobicContact CG-CD1 4.42Å; F28-L209 HydrophobicContact CZ-CB 3.43Å; F28-L209 VanDerWaalsContact CZ-CB 3.43Å; F28-L209 HydrophobicContact CZ-CD1 4.21Å; F28-L209 HydrophobicContact CZ-CG 4.48Å; L107-L209 HydrophobicContact CD2-CD2 3.37Å; L107-L209 HydrophobicContact CD2-CG 4.16Å; I205-L209 HydrophobicContact CG2-CD1 3.71Å; I205-L209 HydrophobicContact CG2-CG 4.38Å; I205-L209 WeakPolarHBondContact O-CB 3.47Å; I205-L209 WeakPolarHBondContact O-CG 3.48Å; I205-L209 PolarHBondContact O-N 2.87Å; N206-L209 PolarHBondContact O-N 3.3Å; L209-T211 VanDerWaalsContact C-N 3.27Å; L209-T211 PolarHBondContact O-N 3.15Å; L209-K212 PolarHBondContact O-N 3.05Å; L209-M213 WeakPolarHBondContact O-CB 3.27Å; L209-M213 WeakPolarHBondContact O-CG 3.32Å; L209-M213 PolarHBondContact O-N 2.97Å
210S82.4Confident67.4Low29 Ų2969.9 Ų69.920%0.20341%0.409CS..Hα-helixtrans-55.7-44.3173.4-68.80000110.8N206 M213 H214N206-S210 VanDerWaalsContact O-CB 3.28Å; N206-S210 WeakPolarHBondContact O-CB 3.3Å; N206-S210 PolarHBondContact O-N 3.44Å; N206-S210 PolarHBondContact O-OG 2.94Å; S210-M213 PolarHBondContact O-N 3.16Å; S210-H214 WeakPolarHBondContact O-CB 3.33Å; S210-H214 PolarHBondContact O-CD2 2.85Å; S210-H214 VanDerWaalsContact O-CG 3.32Å; S210-H214 PolarHBondContact O-N 3.26Å
211T79.9Confident65.4Low81 Ų8172.6 Ų72.650%0.49742%0.423SS..Hα-helixtrans-62.7-47.7176.8-53.60000111.7S207 L208 L209 M213 T215S207-T211 PolarHBondContact O-N 3.49Å; S207-T211 VanDerWaalsContact O-N 3.09Å; S207-T211 PolarHBondContact O-OG1 2.87Å; L208-T211 PolarHBondContact O-N 3.32Å; L209-T211 VanDerWaalsContact C-N 3.27Å; L209-T211 PolarHBondContact O-N 3.15Å; T211-M213 VanDerWaalsContact C-N 3.33Å; T211-M213 PolarHBondContact O-N 3.12Å; T211-T215 HydrophobicContact CG2-CG2 4.33Å; T211-T215 WeakPolarHBondContact O-CB 3.44Å; T211-T215 WeakPolarHBondContact O-CG2 3.38Å; T211-T215 PolarHBondContact O-N 3.46Å; T211-T215 PolarHBondContact O-OG1 2.61Å
212K75.3Confident63.7Low73 Ų7377.5 Ų77.532%0.31746%0.455SS..Hα-helixtrans-67.4-29.8-179.4-76.6-178.5177-91.70113.6D106 L208 L209D106-K212 PolarHBondContact O-NZ 3.11Å; L208-K212 PolarHBondContact O-N 3.2Å; L208-K212 VanDerWaalsContact O-N 3.14Å; L209-K212 PolarHBondContact O-N 3.05Å
213M73.2Confident61.8Low72 Ų7283.7 Ų83.736%0.35549%0.488SS..Hα-helixtrans-89-30.3179.3-67.3-175.564.400113.2L5 F28 L209 S210 T211L5-M213 HydrophobicContact CD2-SD 4.46Å; F28-M213 HydrophobicContact CB-CE 4.22Å; F28-M213 HydrophobicContact CB-SD 3.79Å; F28-M213 HydrophobicContact CD1-CE 4.23Å; F28-M213 HydrophobicContact CD1-SD 3.38Å; F28-M213 WeakPolarHBondContact CD1-SD 3.32Å; F28-M213 HydrophobicContact CE1-SD 4.24Å; F28-M213 HydrophobicContact CG-SD 3.87Å; L209-M213 WeakPolarHBondContact O-CB 3.27Å; L209-M213 WeakPolarHBondContact O-CG 3.32Å; L209-M213 PolarHBondContact O-N 2.97Å; S210-M213 PolarHBondContact O-N 3.16Å; T211-M213 VanDerWaalsContact C-N 3.33Å; T211-M213 PolarHBondContact O-N 3.12Å
214H61.9Low59.4Low152 Ų15288.7 Ų88.770%0.70451%0.505SS*.Hα-helixtrans-88.9-18.4178.3-67.7-58.9000115S210 Q216S210-H214 WeakPolarHBondContact O-CB 3.33Å; S210-H214 PolarHBondContact O-CD2 2.85Å; S210-H214 VanDerWaalsContact O-CG 3.32Å; S210-H214 PolarHBondContact O-N 3.26Å; H214-Q216 PolarHBondContact O-N 3.26Å
215T47.3Very low57Low100 Ų10089.2 Ų89.261%0.61352%0.519SS*.SBendtrans-70.18171.140.40000114T211T211-T215 HydrophobicContact CG2-CG2 4.33Å; T211-T215 WeakPolarHBondContact O-CB 3.44Å; T211-T215 WeakPolarHBondContact O-CG2 3.38Å; T211-T215 PolarHBondContact O-N 3.46Å; T211-T215 PolarHBondContact O-OG1 2.61Å
216Q43.2Very low55.2Low81 Ų8198.4 Ų98.438%0.37958%0.579SS.*SBendtrans-90.3127.6165.8-63.4-63.6-53.100108.1H214 S218H214-Q216 PolarHBondContact O-N 3.26Å; Q216-S218 PolarHBondContact O-N 2.84Å
217P33.6Very low53.9Low124 Ų124100.5 Ų100.581%0.80559%0.593SS**  trans-61.4111.1-178.816.8-17.7000108.3G219P217-G219 PolarHBondContact O-N 3.14Å
218S37.5Very low52.2Low111 Ų111101.9 Ų101.978%0.77660%0.597SS**  trans-63.3103.5171.651.90000107.3Q216 A220Q216-S218 PolarHBondContact O-N 2.84Å; S218-A220 PolarHBondContact O-N 2.65Å
219G35Very low50.4Low71 Ų71106.2 Ų106.273%0.73262%0.623SS**  trans-55111.2160.700000107.3P217 H221P217-G219 PolarHBondContact O-N 3.14Å; G219-H221 PolarHBondContact O-N 3.22Å
220A39.5Very low48.5Very low87 Ų87112.4 Ų112.472%0.71966%0.66SS**  trans-58.3128.5177.300000109.4S218S218-A220 PolarHBondContact O-N 2.65Å
221H32.6Very low46.4Very low184 Ų184117.6 Ų117.685%0.85269%0.688SS**  trans-119.5126.7148.1-84.3-54000108.6G219G219-H221 PolarHBondContact O-N 3.22Å
222P38.8Very low44.2Very low102 Ų102120.1 Ų120.166%0.66270%0.701SS**  trans-72.4145-171.330.4-34.1000110.5Q224P222-Q224 PolarHBondContact O-N 3.44Å
223I39.5Very low42Very low155 Ų155123.4 Ų123.480%0.79573%0.728SS**  trans-55.3123.5166.6-61.3162.7000107.8
224Q31.3Very low39.6Very low182 Ų182127.4 Ų127.485%0.8576%0.757SS**  trans-126.7110.7158.6-75.9-173.6-1.100108.8P222P222-Q224 PolarHBondContact O-N 3.44Å
225T31.2Very low37.7Very low113 Ų113125.3 Ų125.369%0.69376%0.761SS**  trans-119.4154.4153.216.10000105.3
226P42.8Very low36.8Very low194 Ų194127.6 Ų127.6100%1.2678%0.775SS**  cis-102.1044.41.519.8000115

Retrieved 226 of 226 residues in 66.4 ms (Link to these results)

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