A0A096LW51_POEFO Loading...

Serine/threonine-protein kinase Nek8

AlphaFold DB , UniProt , Accession A0A096LW51, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 695 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
1M61.7Low83.9Confident83 Ų8380.6 Ų80.641%0.40940%0.404SS..  0-6.90-77.9-74.9-83.500113K3 K6 E72M1-K3 VanDerWaalsContact C-N 3.34Å; M1-K3 PolarHBondContact O-N 2.95Å; M1-K6 HydrophobicContact CE-CB 4.21Å; M1-K6 HydrophobicContact CE-CD 3.71Å; M1-K6 HydrophobicContact CE-CG 3.7Å; M1-K6 HydrophobicContact SD-CD 3.96Å; M1-K6 HydrophobicContact SD-CG 3.85Å; M1-E72 WeakPolarHBondContact CB-OE1 3.42Å; M1-E72 WeakPolarHBondContact CG-OE1 3.18Å; M1-E72 PolarHBondContact N-OE1 2.82Å; M1-E72 PolarHBondContact N-OE2 2.82Å
2E73.1Confident82.9Confident186 Ų18690.5 Ų90.587%0.86943%0.433SS*.  trans-64.4-32.1174.6-67-177.2164.600113.8R24E2-R24 VanDerWaalsContact O-CD 3.27Å; E2-R24 WeakPolarHBondContact O-CD 3.2Å
3K86.6Confident81Confident113 Ų11387.2 Ų87.249%0.49144%0.437SS..SBendtrans-89.3-21-179-66.6-176-179.1-178.40115.3M1 R24 E68M1-K3 VanDerWaalsContact C-N 3.34Å; M1-K3 PolarHBondContact O-N 2.95Å; K3-R24 PolarHBondContact O-N 2.85Å; K3-E68 IonicContact NZ-OE1 3.35Å; K3-E68 PolarHBondContact NZ-OE1 2.87Å; K3-E68 IonicContact NZ-OE2 3.95Å; K3-E68 PolarHBondContact NZ-OE2 3.31Å
4Y92.2Very high78.8Confident2 Ų287.6 Ų87.61%0.00846%0.46CS..EExtended strand (participates in β ladder)trans-134.4134-169.4-59-79000111.5R22 R23 V30 L32 E68 F70 A79Y4-R22 WeakPolarHBondContact CA-O 3.5Å; Y4-R23 HydrophobicContact CD1-CB 3.98Å; Y4-R23 HydrophobicContact CD1-CG 4.22Å; Y4-R23 HydrophobicContact CE1-CB 3.92Å; Y4-R23 HydrophobicContact CE1-CG 3.86Å; Y4-V30 HydrophobicContact CD1-CG2 3.64Å; Y4-V30 HydrophobicContact CE1-CG2 3.67Å; Y4-L32 HydrophobicContact CD1-CD1 4.42Å; Y4-L32 HydrophobicContact CD2-CD1 3.93Å; Y4-L32 HydrophobicContact CD2-CD2 4.43Å; Y4-L32 HydrophobicContact CE2-CD2 4.47Å; Y4-L32 HydrophobicContact CG-CD1 3.75Å; Y4-E68 WeakPolarHBondContact OH-CG 3.43Å; Y4-E68 PolarHBondContact OH-OE1 3.11Å; Y4-F70 HydrophobicContact CD2-CE1 4.12Å; Y4-F70 AromaticContact CD2-CZ 3.98Å; Y4-F70 HydrophobicContact CD2-CZ 3.98Å; Y4-F70 AromaticContact CE2-CE1 3.68Å; Y4-F70 HydrophobicContact CE2-CE1 3.68Å; Y4-F70 HydrophobicContact CE2-CZ 4.03Å; Y4-A79 HydrophobicContact CE2-CB 4.5Å; Y4-A79 WeakPolarHBondContact OH-CB 3.38Å
5E92.3Very high77.4Confident71 Ų7186.9 Ų86.933%0.33245%0.452SS..EExtended strand (participates in β ladder)trans-100.3115.4174178.3-176.2-146.300109.4I7 C21 R22E5-I7 PolarHBondContact O-N 2.89Å; E5-C21 CarbonylContact O-C 3.45Å; E5-C21 WeakPolarHBondContact O-CA 3.27Å; E5-C21 WeakPolarHBondContact O-CB 3.46Å; E5-R22 HydrophobicContact CB-CB 4.3Å; E5-R22 PolarHBondContact N-O 3.41Å; E5-R22 PolarHBondContact O-N 2.81Å; E5-R22 IonicContact OE2-CZ 2.72Å; E5-R22 IonicContact OE2-NH1 2.95Å; E5-R22 PolarHBondContact OE2-NH1 3.3Å
6K90.7Very high77Confident80 Ų8082.3 Ų82.335%0.34843%0.433SS..EExtended strand (participates in β ladder)trans-66.5125.3176.4-73.4-179.6-179.5-172.30109.8M1 H19 E34M1-K6 HydrophobicContact CE-CB 4.21Å; M1-K6 HydrophobicContact CE-CD 3.71Å; M1-K6 HydrophobicContact CE-CG 3.7Å; M1-K6 HydrophobicContact SD-CD 3.96Å; M1-K6 HydrophobicContact SD-CG 3.85Å; K6-H19 HydrophobicContact CG-CB 4.47Å; K6-E34 IonicContact NZ-OE2 3.39Å; K6-E34 PolarHBondContact NZ-OE2 2.83Å
7I93Very high77.3Confident75 Ų7580.4 Ų80.439%0.38542%0.422SS..EExtended strand (participates in β ladder)trans-96.9-57.4177.1-57.2176.9000110E5 L20 R22 L29E5-I7 PolarHBondContact O-N 2.89Å; I7-L20 WeakPolarHBondContact CA-O 3.47Å; I7-L20 WeakPolarHBondContact CB-O 3.35Å; I7-L20 HydrophobicContact CD1-CG 4.35Å; I7-L20 PolarHBondContact N-O 3.47Å; I7-R22 HydrophobicContact CD1-CB 4.11Å; I7-R22 HydrophobicContact CG1-CB 4.41Å; I7-L29 HydrophobicContact CD1-CD2 3.41Å; I7-L29 VanDerWaalsContact CD1-CD2 3.41Å
8K91.3Very high77.9Confident119 Ų11977.8 Ų77.852%0.51741%0.41SS..EExtended strand (participates in β ladder)trans-157.6158.5-178.766176.3-178.2176.40111.8V10 L20K8-V10 HydrophobicContact CG-CG1 4.31Å; K8-L20 HydrophobicContact CG-CB 4.1Å; K8-L20 HydrophobicContact CG-CD2 4.22Å; K8-L20 PolarHBondContact N-O 3.42Å; K8-L20 PolarHBondContact O-N 2.8Å
9V88.7Confident78.5Confident62 Ų6274.6 Ų74.638%0.37639%0.393SS..EExtended strand (participates in β ladder)trans-77.3128.1167.7-179.80000108.7R12 I17V9-R12 HydrophobicContact CG1-CG 4.02Å; V9-I17 HydrophobicContact CG1-CG2 3.75Å; V9-I17 HydrophobicContact CG2-CG2 4.16Å
10V81.6Confident79.3Confident67 Ų6771.4 Ų71.441%0.40638%0.376SS..EExtended strand (participates in β ladder)trans-103.2-21.3177.2-67.40000113K8 V18 L20 I31K8-V10 HydrophobicContact CG-CG1 4.31Å; V10-V18 HydrophobicContact CG2-CB 3.86Å; V10-V18 HydrophobicContact CG2-CG1 3.46Å; V10-V18 VanDerWaalsContact CG2-CG1 3.46Å; V10-V18 WeakPolarHBondContact CG2-O 3.16Å; V10-V18 PolarHBondContact N-O 3.4Å; V10-L20 HydrophobicContact CG1-CB 3.62Å; V10-I31 HydrophobicContact CG2-CD1 3.86Å
11G71.4Confident80Confident29 Ų2968 Ų6830%0.29936%0.358SS..EExtended strand (participates in β ladder)trans-162.7151.9177.600000112.3V18G11-V18 PolarHBondContact N-O 3.29Å; G11-V18 PolarHBondContact O-N 2.64Å
12R71.8Confident81.6Confident199 Ų19969.1 Ų69.175%0.75136%0.358SS*.EExtended strand (participates in β ladder)trans-128.3124169.4-63.8-176.5-178.6-141.60.6107.1V9 I17V9-R12 HydrophobicContact CG1-CG 4.02Å; R12-I17 HydrophobicContact CG-CG2 4.37Å
13G58.3Low82.6Confident47 Ų4763.1 Ų63.149%0.48533%0.327SS..EExtended strand (participates in β ladder)trans-135.8179-178.800000112.3F15 G16G13-F15 PolarHBondContact O-N 2.84Å; G13-F15 VanDerWaalsContact O-N 3.11Å; G13-G16 PolarHBondContact N-O 3.16Å; G13-G16 PolarHBondContact O-N 2.83Å; G13-G16 VanDerWaalsContact O-N 3.15Å
14A50.5Low82.9Confident93 Ų9364.9 Ų64.977%0.76933%0.331SS*.THydrogen-bonded Turntrans-59.1-22.3177.600000113.5
15F58.1Low82.9Confident77 Ų7769.6 Ų69.634%0.33836%0.364SS..THydrogen-bonded Turntrans-99.10.2-177-55.1-75.7000113.7G13 I35 K152G13-F15 PolarHBondContact O-N 2.84Å; G13-F15 VanDerWaalsContact O-N 3.11Å; F15-I35 WeakPolarHBondContact O-CG1 3.42Å; F15-K152 HydrophobicContact CE1-CG 4.32Å; F15-K152 HydrophobicContact CZ-CD 4.31Å; F15-K152 HydrophobicContact CZ-CG 3.79Å
16G71.4Confident82.9Confident14 Ų1470.6 Ų70.614%0.14437%0.371CS..EExtended strand (participates in β ladder)trans131.9-165.717900000115.2G13 E34G13-G16 PolarHBondContact N-O 3.16Å; G13-G16 PolarHBondContact O-N 2.83Å; G13-G16 VanDerWaalsContact O-N 3.15Å; G16-E34 CarbonylContact C-O 3.5Å; G16-E34 WeakPolarHBondContact CA-O 3.48Å
17I82.3Confident82.9Confident49 Ų4968.6 Ų68.625%0.25137%0.374SS..EExtended strand (participates in β ladder)trans-105.3133.2-176-54.7176.5000109.2V9 R12 H19 E34V9-I17 HydrophobicContact CG1-CG2 3.75Å; V9-I17 HydrophobicContact CG2-CG2 4.16Å; R12-I17 HydrophobicContact CG-CG2 4.37Å; I17-H19 WeakPolarHBondContact CG2-NE2 3.39Å; I17-E34 PolarHBondContact N-O 2.84Å; I17-E34 WeakPolarHBondContact O-CB 3.44Å; I17-E34 PolarHBondContact O-N 2.83Å
18V87.3Confident82.9Confident34 Ų3466.6 Ų66.621%0.20637%0.369CS..EExtended strand (participates in β ladder)trans-105.7119.8178.9-169.80000108.9V10 G11 I31 K33V10-V18 HydrophobicContact CG2-CB 3.86Å; V10-V18 HydrophobicContact CG2-CG1 3.46Å; V10-V18 VanDerWaalsContact CG2-CG1 3.46Å; V10-V18 WeakPolarHBondContact CG2-O 3.16Å; V10-V18 PolarHBondContact N-O 3.4Å; G11-V18 PolarHBondContact N-O 3.29Å; G11-V18 PolarHBondContact O-N 2.64Å; V18-I31 HydrophobicContact CG1-CG2 3.31Å; V18-K33 HydrophobicContact CG2-CG 4.42Å
19H90.3Very high83Confident17 Ų1764.7 Ų64.78%0.07936%0.364CS..EExtended strand (participates in β ladder)trans-110.6131.3-178.6-57.7-89.3000110.7K6 I17 I31 L32 E34K6-H19 HydrophobicContact CG-CB 4.47Å; I17-H19 WeakPolarHBondContact CG2-NE2 3.39Å; H19-I31 WeakPolarHBondContact O-CA 3.45Å; H19-L32 HydrophobicContact CB-CB 4.46Å; H19-L32 PolarHBondContact N-O 2.76Å; H19-L32 PolarHBondContact O-N 2.98Å; H19-E34 IonicContact CD2-OE2 4Å; H19-E34 PolarHBondContact CD2-OE2 2.87Å; H19-E34 IonicContact CE1-OE2 3.41Å; H19-E34 IonicContact NE2-OE2 3.32Å; H19-E34 PolarHBondContact NE2-OE2 2.92Å
20L93.8Very high83.3Confident10 Ų1061.8 Ų61.85%0.05235%0.346CS..EExtended strand (participates in β ladder)trans-77.8126.2161.6178.266.8000108.6I7 K8 V10 L29 I31 Y82I7-L20 WeakPolarHBondContact CA-O 3.47Å; I7-L20 WeakPolarHBondContact CB-O 3.35Å; I7-L20 HydrophobicContact CD1-CG 4.35Å; I7-L20 PolarHBondContact N-O 3.47Å; K8-L20 HydrophobicContact CG-CB 4.1Å; K8-L20 HydrophobicContact CG-CD2 4.22Å; K8-L20 PolarHBondContact N-O 3.42Å; K8-L20 PolarHBondContact O-N 2.8Å; V10-L20 HydrophobicContact CG1-CB 3.62Å; L20-L29 HydrophobicContact CD1-CB 4.22Å; L20-I31 HydrophobicContact CB-CD1 4.32Å; L20-I31 HydrophobicContact CD1-CD1 4.06Å; L20-Y82 HydrophobicContact CD1-CD1 3.87Å; L20-Y82 HydrophobicContact CD1-CD2 3.78Å; L20-Y82 HydrophobicContact CD1-CE1 3.99Å; L20-Y82 HydrophobicContact CD1-CE2 3.91Å; L20-Y82 HydrophobicContact CD1-CG 3.75Å
21C94.8Very high83.8Confident0 Ų059.4 Ų59.40%033%0.331CS..EExtended strand (participates in β ladder)trans-130.7154.6-176-56.90000111.3E5 L29 V30 L32E5-C21 CarbonylContact O-C 3.45Å; E5-C21 WeakPolarHBondContact O-CA 3.27Å; E5-C21 WeakPolarHBondContact O-CB 3.46Å; C21-L29 WeakPolarHBondContact O-CA 3.45Å; C21-V30 HydrophobicContact CB-CG2 4.09Å; C21-V30 PolarHBondContact N-O 2.89Å; C21-V30 PolarHBondContact O-N 3.19Å; C21-L32 HydrophobicContact CB-CD1 4.12Å; C21-L32 HydrophobicContact CB-CG 4.46Å
22R95.4Very high84.8Confident108 Ų10858 Ų5841%0.40832%0.317SS..EExtended strand (participates in β ladder)trans-98.3121.4168.3-170.6177.8-68132.7-6.7109Y4 E5 I7 R24Y4-R22 WeakPolarHBondContact CA-O 3.5Å; E5-R22 HydrophobicContact CB-CB 4.3Å; E5-R22 PolarHBondContact N-O 3.41Å; E5-R22 PolarHBondContact O-N 2.81Å; E5-R22 IonicContact OE2-CZ 2.72Å; E5-R22 IonicContact OE2-NH1 2.95Å; E5-R22 PolarHBondContact OE2-NH1 3.3Å; I7-R22 HydrophobicContact CD1-CB 4.11Å; I7-R22 HydrophobicContact CG1-CB 4.41Å; R22-R24 PolarHBondContact O-N 2.87Å
23R93.7Very high85.6Confident59 Ų5949.2 Ų49.222%0.22328%0.284CS..EExtended strand (participates in β ladder)trans-70.8125.8171.7-177.3167.263-167.60.3109Y4 S25 D26 G27 A28 V30Y4-R23 HydrophobicContact CD1-CB 3.98Å; Y4-R23 HydrophobicContact CD1-CG 4.22Å; Y4-R23 HydrophobicContact CE1-CB 3.92Å; Y4-R23 HydrophobicContact CE1-CG 3.86Å; R23-S25 VanDerWaalsContact C-N 3.33Å; R23-S25 WeakPolarHBondContact CG-OG 3.28Å; R23-S25 PolarHBondContact O-N 2.85Å; R23-D26 IonicContact CZ-OD1 3.21Å; R23-D26 IonicContact CZ-OD2 3.96Å; R23-D26 IonicContact NE-OD1 2.67Å; R23-D26 PolarHBondContact NE-OD1 3.34Å; R23-D26 IonicContact NE-OD2 3.73Å; R23-D26 PolarHBondContact NE-OD2 3.07Å; R23-D26 IonicContact NH2-OD1 3.68Å; R23-D26 IonicContact NH2-OD2 2.75Å; R23-D26 PolarHBondContact NH2-OD2 3.44Å; R23-G27 WeakPolarHBondContact O-CA 3.37Å; R23-G27 PolarHBondContact O-N 2.57Å; R23-A28 PolarHBondContact N-O 2.84Å; R23-V30 HydrophobicContact CB-CG1 4.32Å
24R92.8Very high87Confident150 Ų15049 Ų4957%0.56627%0.27SS*.THydrogen-bonded Turntrans-72.1-24.3-172.6-67.3-169.9-174.6-85-0.1113.9E2 K3 R22E2-R24 VanDerWaalsContact O-CD 3.27Å; E2-R24 WeakPolarHBondContact O-CD 3.2Å; K3-R24 PolarHBondContact O-N 2.85Å; R22-R24 PolarHBondContact O-N 2.87Å
25S92.4Very high88.6Confident102 Ų10245 Ų4571%0.71324%0.236SC*.THydrogen-bonded Turntrans-69.1-33.2-17755.50000113.7R23R23-S25 VanDerWaalsContact C-N 3.33Å; R23-S25 WeakPolarHBondContact CG-OG 3.28Å; R23-S25 PolarHBondContact O-N 2.85Å
26D92.3Very high89.8Confident91 Ų9144.7 Ų44.749%0.48724%0.242SC..THydrogen-bonded Turntrans-140.5-0.4-172.463.7-13.4000114.1R23 A28R23-D26 IonicContact CZ-OD1 3.21Å; R23-D26 IonicContact CZ-OD2 3.96Å; R23-D26 IonicContact NE-OD1 2.67Å; R23-D26 PolarHBondContact NE-OD1 3.34Å; R23-D26 IonicContact NE-OD2 3.73Å; R23-D26 PolarHBondContact NE-OD2 3.07Å; R23-D26 IonicContact NH2-OD1 3.68Å; R23-D26 IonicContact NH2-OD2 2.75Å; R23-D26 PolarHBondContact NH2-OD2 3.44Å; D26-A28 PolarHBondContact O-N 3.26Å; D26-A28 WeakPolarHBondContact OD1-CB 3.37Å; D26-A28 PolarHBondContact OD1-N 2.79Å; D26-A28 VanDerWaalsContact OD1-N 3.16Å
27G91.1Very high90.2Very high39 Ų3945 Ų4540%0.40224%0.241SC..  trans73.85.8-178.400000114.5R23R23-G27 WeakPolarHBondContact O-CA 3.37Å; R23-G27 PolarHBondContact O-N 2.57Å
28A91.6Very high90Very high33 Ų3347.9 Ų47.927%0.27325%0.253SS..  trans-66142.4-178.300000111.7R23 D26R23-A28 PolarHBondContact N-O 2.84Å; D26-A28 PolarHBondContact O-N 3.26Å; D26-A28 WeakPolarHBondContact OD1-CB 3.37Å; D26-A28 PolarHBondContact OD1-N 2.79Å; D26-A28 VanDerWaalsContact OD1-N 3.16Å
29L94.3Very high89.1Confident79 Ų7955.2 Ų55.241%0.41429%0.285SS..EExtended strand (participates in β ladder)trans-80.2129.6172.6-66.6179.9000109.8I7 L20 C21 Y82I7-L29 HydrophobicContact CD1-CD2 3.41Å; I7-L29 VanDerWaalsContact CD1-CD2 3.41Å; L20-L29 HydrophobicContact CD1-CB 4.22Å; C21-L29 WeakPolarHBondContact O-CA 3.45Å; L29-Y82 HydrophobicContact CB-CD1 3.8Å; L29-Y82 HydrophobicContact CB-CE1 4.49Å; L29-Y82 HydrophobicContact CD1-CD1 4.2Å; L29-Y82 HydrophobicContact CD1-CE1 4.09Å
30V94.4Very high88.3Confident1 Ų156.7 Ų56.71%0.00629%0.292CS..EExtended strand (participates in β ladder)trans-136.1159.3-178.8-57.10000110.4Y4 C21 R23 Y67Y4-V30 HydrophobicContact CD1-CG2 3.64Å; Y4-V30 HydrophobicContact CE1-CG2 3.67Å; C21-V30 HydrophobicContact CB-CG2 4.09Å; C21-V30 PolarHBondContact N-O 2.89Å; C21-V30 PolarHBondContact O-N 3.19Å; R23-V30 HydrophobicContact CB-CG1 4.32Å; V30-Y67 HydrophobicContact CB-CE2 4.38Å; V30-Y67 HydrophobicContact CG1-CD2 4.11Å; V30-Y67 HydrophobicContact CG1-CE2 3.77Å
31I93.1Very high87.4Confident16 Ų1658.8 Ų58.88%0.08231%0.308CS..EExtended strand (participates in β ladder)trans-97.4133170.1-67.7-55.9000109.6V10 V18 H19 L20 A79 M80 Y82V10-I31 HydrophobicContact CG2-CD1 3.86Å; V18-I31 HydrophobicContact CG1-CG2 3.31Å; H19-I31 WeakPolarHBondContact O-CA 3.45Å; L20-I31 HydrophobicContact CB-CD1 4.32Å; L20-I31 HydrophobicContact CD1-CD1 4.06Å; I31-A79 CarbonylContact O-C 3.42Å; I31-A79 WeakPolarHBondContact O-CA 3.5Å; I31-M80 HydrophobicContact CB-CG 3.64Å; I31-M80 HydrophobicContact CB-SD 4.46Å; I31-M80 HydrophobicContact CG2-CG 3.72Å; I31-M80 HydrophobicContact CG2-SD 3.94Å; I31-M80 PolarHBondContact N-O 3.17Å; I31-M80 PolarHBondContact O-N 2.73Å; I31-Y82 HydrophobicContact CD1-CD2 3.6Å; I31-Y82 HydrophobicContact CD1-CE2 4.24Å; I31-Y82 HydrophobicContact CD1-CG 4.41Å; I31-Y82 HydrophobicContact CG1-CD2 3.81Å; I31-Y82 HydrophobicContact CG1-CG 4.4Å
32L91.8Very high86.5Confident1 Ų169.1 Ų69.11%0.00535%0.347CS..EExtended strand (participates in β ladder)trans-112.3112.8167.7-83.7176.5000109.5Y4 H19 C21 F70 M77 I78 A79Y4-L32 HydrophobicContact CD1-CD1 4.42Å; Y4-L32 HydrophobicContact CD2-CD1 3.93Å; Y4-L32 HydrophobicContact CD2-CD2 4.43Å; Y4-L32 HydrophobicContact CE2-CD2 4.47Å; Y4-L32 HydrophobicContact CG-CD1 3.75Å; H19-L32 HydrophobicContact CB-CB 4.46Å; H19-L32 PolarHBondContact N-O 2.76Å; H19-L32 PolarHBondContact O-N 2.98Å; C21-L32 HydrophobicContact CB-CD1 4.12Å; C21-L32 HydrophobicContact CB-CG 4.46Å; L32-F70 HydrophobicContact CD2-CE1 4.07Å; L32-F70 HydrophobicContact CD2-CZ 3.97Å; L32-M77 HydrophobicContact CB-CE 4.13Å; L32-M77 HydrophobicContact CD1-CE 4.22Å; L32-M77 HydrophobicContact CD2-CB 4.44Å; L32-M77 HydrophobicContact CD2-CE 4.45Å; L32-I78 WeakPolarHBondContact CA-O 3.46Å; L32-A79 HydrophobicContact CD2-CB 3.73Å
33K88.3Confident85.2Confident14 Ų1468.7 Ų68.76%0.06135%0.353CS..EExtended strand (participates in β ladder)trans-90.6115.4172.8-172174.8-177.8-179.40108.6V18 I35 E51 M77 I78 M80 D147V18-K33 HydrophobicContact CG2-CG 4.42Å; K33-I35 HydrophobicContact CG-CG1 4.23Å; K33-E51 IonicContact NZ-OE1 2.98Å; K33-M77 WeakPolarHBondContact O-CA 3.27Å; K33-I78 HydrophobicContact CB-CB 4.39Å; K33-I78 PolarHBondContact N-O 3.35Å; K33-I78 PolarHBondContact O-N 3.48Å; K33-M80 HydrophobicContact CB-CE 3.81Å; K33-M80 HydrophobicContact CD-CE 4.09Å; K33-D147 IonicContact NZ-OD1 3.74Å; K33-D147 PolarHBondContact NZ-OD1 3.03Å
34E87.4Confident84.1Confident43 Ų4368 Ų6820%0.20135%0.352CS..EExtended strand (participates in β ladder)trans-99.3112.2-178178.9178148.400109.7K6 G16 I17 H19 A75 M77K6-E34 IonicContact NZ-OE2 3.39Å; K6-E34 PolarHBondContact NZ-OE2 2.83Å; G16-E34 CarbonylContact C-O 3.5Å; G16-E34 WeakPolarHBondContact CA-O 3.48Å; I17-E34 PolarHBondContact N-O 2.84Å; I17-E34 WeakPolarHBondContact O-CB 3.44Å; I17-E34 PolarHBondContact O-N 2.83Å; H19-E34 IonicContact CD2-OE2 4Å; H19-E34 PolarHBondContact CD2-OE2 2.87Å; H19-E34 IonicContact CE1-OE2 3.41Å; H19-E34 IonicContact NE2-OE2 3.32Å; H19-E34 PolarHBondContact NE2-OE2 2.92Å; E34-A75 HydrophobicContact CG-CB 3.9Å; E34-M77 HydrophobicContact CB-CE 4Å; E34-M77 HydrophobicContact CB-SD 3.56Å; E34-M77 VanDerWaalsContact CB-SD 3.56Å; E34-M77 HydrophobicContact CG-CE 4.35Å; E34-M77 HydrophobicContact CG-SD 3.54Å; E34-M77 VanDerWaalsContact CG-SD 3.54Å
35I84.7Confident83.3Confident7 Ų766.1 Ų66.14%0.03635%0.345CS..EExtended strand (participates in β ladder)trans-112.7110.8-176.2-53.7-177.9000108.8F15 K33 V37 M40 A75 L76 I78F15-I35 WeakPolarHBondContact O-CG1 3.42Å; K33-I35 HydrophobicContact CG-CG1 4.23Å; I35-V37 PolarHBondContact O-N 3.36Å; I35-M40 HydrophobicContact CG2-CE 3.35Å; I35-M40 HydrophobicContact CG2-SD 4.4Å; I35-A75 CarbonylContact O-C 3.54Å; I35-A75 VanDerWaalsContact O-CA 3.28Å; I35-A75 WeakPolarHBondContact O-CA 3.32Å; I35-L76 HydrophobicContact CB-CB 4.33Å; I35-L76 PolarHBondContact N-O 3.1Å; I35-L76 PolarHBondContact O-N 2.98Å; I35-I78 HydrophobicContact CD1-CD1 3.77Å
36P82.3Confident82.4Confident72 Ų7266.3 Ų66.347%0.46834%0.338SS..EExtended strand (participates in β ladder)trans-65120.1-179.1-18.930.9000111.4M40P36-M40 VanDerWaalsContact O-CE 3.28Å; P36-M40 WeakPolarHBondContact O-CE 3.35Å; P36-M40 WeakPolarHBondContact O-CG 3.35Å
37V81.1Confident81.4Confident20 Ų2062.4 Ų62.412%0.12132%0.318CS..  trans-100.8-14.1-178.2-64.90000113.8I35 Q39 M40 R45 L71 K74 L76I35-V37 PolarHBondContact O-N 3.36Å; V37-Q39 PolarHBondContact O-N 3.38Å; V37-M40 HydrophobicContact CG1-SD 4.14Å; V37-M40 PolarHBondContact O-N 2.83Å; V37-R45 VanDerWaalsContact O-CZ 3.28Å; V37-R45 PolarHBondContact O-NE 3.35Å; V37-R45 PolarHBondContact O-NH2 2.96Å; V37-L71 HydrophobicContact CG2-CD2 3.87Å; V37-K74 WeakPolarHBondContact CG2-O 3.26Å; V37-K74 PolarHBondContact N-O 3.35Å; V37-L76 HydrophobicContact CG1-CB 3.73Å
38E76.4Confident80.6Confident110 Ų11060.8 Ų60.851%0.51430%0.301SS..THydrogen-bonded Turntrans-59.7-43-175.6-172164.2-151.900113R45 K74E38-R45 PolarHBondContact O-NH2 3.46Å; E38-R45 VanDerWaalsContact O-NH2 3.11Å; E38-K74 HydrophobicContact CB-CB 4.17Å; E38-K74 HydrophobicContact CB-CD 4.4Å; E38-K74 HydrophobicContact CG-CD 4.16Å; E38-K74 PolarHBondContact N-O 2.86Å; E38-K74 VanDerWaalsContact OE1-CD 3.25Å; E38-K74 WeakPolarHBondContact OE1-CD 3.48Å; E38-K74 WeakPolarHBondContact OE1-CE 3.12Å; E38-K74 IonicContact OE1-NZ 2.64Å; E38-K74 PolarHBondContact OE1-NZ 3.06Å; E38-K74 WeakPolarHBondContact OE2-CD 3.44Å; E38-K74 IonicContact OE2-NZ 3.29Å; E38-K74 PolarHBondContact OE2-NZ 2.78Å
39Q68.9Low79.9Confident188 Ų18864.8 Ų64.888%0.87931%0.314SS*.THydrogen-bonded Turntrans-89.4-2.4-177.7-61.71784.200113.8V37V37-Q39 PolarHBondContact O-N 3.38Å
40M74.6Confident79Confident47 Ų4764.6 Ų64.623%0.23231%0.314CS..  trans-78.6136.1-178.4-70.6-175.6169.800111.5I35 P36 V37 E44 R45I35-M40 HydrophobicContact CG2-CE 3.35Å; I35-M40 HydrophobicContact CG2-SD 4.4Å; P36-M40 VanDerWaalsContact O-CE 3.28Å; P36-M40 WeakPolarHBondContact O-CE 3.35Å; P36-M40 WeakPolarHBondContact O-CG 3.35Å; V37-M40 HydrophobicContact CG1-SD 4.14Å; V37-M40 PolarHBondContact O-N 2.83Å; M40-E44 WeakPolarHBondContact CA-OE2 3.11Å; M40-E44 HydrophobicContact CB-CB 3.87Å; M40-E44 HydrophobicContact CG-CB 4.14Å; M40-E44 HydrophobicContact SD-CB 4.38Å; M40-R45 HydrophobicContact CB-CG 3.68Å; M40-R45 PolarHBondContact O-NE 3.46Å
41S74.8Confident78.2Confident55 Ų5564.9 Ų64.939%0.38532%0.315SS..  trans-59.9163.8166.764.20000111.8D43 E44 R45S41-D43 PolarHBondContact O-N 3.05Å; S41-E44 WeakPolarHBondContact CB-OE2 3.45Å; S41-E44 PolarHBondContact N-OE2 2.96Å; S41-E44 PolarHBondContact O-N 3.29Å; S41-E44 WeakPolarHBondContact OG-CB 3.49Å; S41-E44 VanDerWaalsContact OG-CD 3.26Å; S41-E44 VanDerWaalsContact OG-CG 3.28Å; S41-E44 WeakPolarHBondContact OG-CG 3.21Å; S41-E44 PolarHBondContact OG-N 3.35Å; S41-E44 PolarHBondContact OG-OE2 2.86Å; S41-R45 WeakPolarHBondContact O-CG 3.12Å; S41-R45 PolarHBondContact O-N 3.17Å
42R76Confident77.6Confident216 Ų21664.3 Ų64.382%0.81531%0.312SS*.Hα-helixtrans-54.8-40.1177.2-176179.7178.2-178-0.7111.9L46R42-L46 PolarHBondContact O-N 3.05Å; R42-L46 VanDerWaalsContact O-N 3.16Å
43D67.9Low77.1Confident99 Ų9969.9 Ų69.953%0.52934%0.338SS..Hα-helixtrans-71.4-44.2-178.7-60.2-26.5000111.2S41 R45 L46 A47 L154S41-D43 PolarHBondContact O-N 3.05Å; D43-R45 VanDerWaalsContact C-N 3.32Å; D43-R45 PolarHBondContact O-N 3.24Å; D43-L46 WeakPolarHBondContact O-CB 3.49Å; D43-L46 PolarHBondContact O-N 3.19Å; D43-A47 PolarHBondContact O-N 2.93Å; D43-L154 HydrophobicContact CB-CD1 4.26Å; D43-L154 HydrophobicContact CB-CD2 3.48Å; D43-L154 VanDerWaalsContact CB-CD2 3.48Å; D43-L154 WeakPolarHBondContact O-CD1 3.28Å
44E71Confident76.8Confident46 Ų4670.2 Ų70.222%0.21534%0.341CS..Hα-helixtrans-59.9-39.6176.3-74.6163.6152.200112.4M40 S41 L46 A47 A48 S158M40-E44 WeakPolarHBondContact CA-OE2 3.11Å; M40-E44 HydrophobicContact CB-CB 3.87Å; M40-E44 HydrophobicContact CG-CB 4.14Å; M40-E44 HydrophobicContact SD-CB 4.38Å; S41-E44 WeakPolarHBondContact CB-OE2 3.45Å; S41-E44 PolarHBondContact N-OE2 2.96Å; S41-E44 PolarHBondContact O-N 3.29Å; S41-E44 WeakPolarHBondContact OG-CB 3.49Å; S41-E44 VanDerWaalsContact OG-CD 3.26Å; S41-E44 VanDerWaalsContact OG-CG 3.28Å; S41-E44 WeakPolarHBondContact OG-CG 3.21Å; S41-E44 PolarHBondContact OG-N 3.35Å; S41-E44 PolarHBondContact OG-OE2 2.86Å; E44-L46 VanDerWaalsContact C-N 3.33Å; E44-L46 PolarHBondContact O-N 3.11Å; E44-A47 WeakPolarHBondContact O-CB 3.49Å; E44-A47 PolarHBondContact O-N 2.82Å; E44-A48 PolarHBondContact O-N 3.1Å; E44-S158 PolarHBondContact OE1-OG 3.23Å
45R75.1Confident76.6Confident109 Ų10969.3 Ų69.341%0.41134%0.338SS..Hα-helixtrans-63.6-39.8173.7-67.4179.7-170.3-164.40.5111.9V37 E38 M40 S41 D43 A48 Q49V37-R45 VanDerWaalsContact O-CZ 3.28Å; V37-R45 PolarHBondContact O-NE 3.35Å; V37-R45 PolarHBondContact O-NH2 2.96Å; E38-R45 PolarHBondContact O-NH2 3.46Å; E38-R45 VanDerWaalsContact O-NH2 3.11Å; M40-R45 HydrophobicContact CB-CG 3.68Å; M40-R45 PolarHBondContact O-NE 3.46Å; S41-R45 WeakPolarHBondContact O-CG 3.12Å; S41-R45 PolarHBondContact O-N 3.17Å; D43-R45 VanDerWaalsContact C-N 3.32Å; D43-R45 PolarHBondContact O-N 3.24Å; R45-A48 PolarHBondContact O-N 3.42Å; R45-Q49 WeakPolarHBondContact O-CG 3.33Å; R45-Q49 PolarHBondContact O-N 3.17Å
46L74.5Confident76.7Confident106 Ų10674.8 Ų74.856%0.55536%0.361SS*.Hα-helixtrans-68.6-35.8178-162.2138.1000111.5R42 D43 E44 Q49 N50R42-L46 PolarHBondContact O-N 3.05Å; R42-L46 VanDerWaalsContact O-N 3.16Å; D43-L46 WeakPolarHBondContact O-CB 3.49Å; D43-L46 PolarHBondContact O-N 3.19Å; E44-L46 VanDerWaalsContact C-N 3.33Å; E44-L46 PolarHBondContact O-N 3.11Å; L46-Q49 PolarHBondContact O-N 3.14Å; L46-N50 WeakPolarHBondContact O-CB 3.43Å; L46-N50 PolarHBondContact O-N 3.3Å
47A70.3Confident76.8Confident9 Ų976.3 Ų76.37%0.07437%0.365CS..Hα-helixtrans-61.4-48.6169.300000112.8D43 E44 Q49 N50 E51 L154D43-A47 PolarHBondContact O-N 2.93Å; E44-A47 WeakPolarHBondContact O-CB 3.49Å; E44-A47 PolarHBondContact O-N 2.82Å; A47-Q49 PolarHBondContact O-N 3.37Å; A47-N50 WeakPolarHBondContact O-CB 3.42Å; A47-N50 PolarHBondContact O-N 3.04Å; A47-N50 VanDerWaalsContact O-N 3.11Å; A47-E51 PolarHBondContact O-N 3.39Å; A47-L154 HydrophobicContact CB-CB 3.85Å; A47-L154 HydrophobicContact CB-CD1 3.3Å; A47-L154 HydrophobicContact CB-CG 4.17Å
48A74.3Confident77.1Confident6 Ų676 Ų765%0.0536%0.362CS..Hα-helixtrans-61.3-37-179.900000111.6E44 R45 C52 L76E44-A48 PolarHBondContact O-N 3.1Å; R45-A48 PolarHBondContact O-N 3.42Å; A48-C52 PolarHBondContact O-N 3.25Å; A48-C52 PolarHBondContact O-SG 3.39Å; A48-C52 VanDerWaalsContact O-SG 3.4Å; A48-L76 HydrophobicContact CB-CD2 4.02Å
49Q76.8Confident77.7Confident116 Ų11677 Ų7754%0.54237%0.371SS..Hα-helixtrans-67.6-41.8172.3-72.8178.7-2.600112.5R45 L46 A47 E51 C52 Q53R45-Q49 WeakPolarHBondContact O-CG 3.33Å; R45-Q49 PolarHBondContact O-N 3.17Å; L46-Q49 PolarHBondContact O-N 3.14Å; A47-Q49 PolarHBondContact O-N 3.37Å; Q49-E51 VanDerWaalsContact C-N 3.33Å; Q49-E51 PolarHBondContact O-N 3.33Å; Q49-C52 WeakPolarHBondContact O-CB 3.25Å; Q49-C52 PolarHBondContact O-N 3.1Å; Q49-Q53 WeakPolarHBondContact O-CG 3.46Å; Q49-Q53 PolarHBondContact O-N 3.45Å
50N75.3Confident78.8Confident76 Ų7669.5 Ų69.541%0.40634%0.336SS..Hα-helixtrans-64.1-37.8176.7-16619.3000111.8L46 A47 C52 Q53 V54L46-N50 WeakPolarHBondContact O-CB 3.43Å; L46-N50 PolarHBondContact O-N 3.3Å; A47-N50 WeakPolarHBondContact O-CB 3.42Å; A47-N50 PolarHBondContact O-N 3.04Å; A47-N50 VanDerWaalsContact O-N 3.11Å; N50-C52 VanDerWaalsContact C-N 3.34Å; N50-C52 PolarHBondContact O-N 3.22Å; N50-Q53 WeakPolarHBondContact O-CB 3.18Å; N50-Q53 PolarHBondContact O-N 3.02Å; N50-Q53 VanDerWaalsContact O-N 3.12Å; N50-V54 WeakPolarHBondContact O-CG2 3.49Å; N50-V54 PolarHBondContact O-N 2.65Å
51E77.4Confident79.6Confident6 Ų671.4 Ų71.43%0.02835%0.352CS..Hα-helixtrans-56.9-47.1172.4-177.5176.1165.200111.3K33 A47 Q49 Q53 V54 L55 I150 S151K33-E51 IonicContact NZ-OE1 2.98Å; A47-E51 PolarHBondContact O-N 3.39Å; Q49-E51 VanDerWaalsContact C-N 3.33Å; Q49-E51 PolarHBondContact O-N 3.33Å; E51-Q53 VanDerWaalsContact C-N 3.3Å; E51-Q53 PolarHBondContact O-N 3.01Å; E51-V54 PolarHBondContact O-N 3.5Å; E51-L55 HydrophobicContact CG-CD1 4.15Å; E51-L55 WeakPolarHBondContact O-CG 3.45Å; E51-L55 PolarHBondContact O-N 2.87Å; E51-I150 HydrophobicContact CB-CB 4.28Å; E51-I150 HydrophobicContact CB-CG2 4.22Å; E51-I150 HydrophobicContact CG-CB 4.27Å; E51-I150 HydrophobicContact CG-CD1 4.21Å; E51-S151 WeakPolarHBondContact OE2-CB 3.4Å; E51-S151 PolarHBondContact OE2-OG 3.5Å
52C81.1Confident80.5Confident5 Ų569 Ų693%0.03434%0.335CS..Hα-helixtrans-61.8-36.8175.7-66.10000112.8A48 Q49 N50 K56 I78A48-C52 PolarHBondContact O-N 3.25Å; A48-C52 PolarHBondContact O-SG 3.39Å; A48-C52 VanDerWaalsContact O-SG 3.4Å; Q49-C52 WeakPolarHBondContact O-CB 3.25Å; Q49-C52 PolarHBondContact O-N 3.1Å; N50-C52 VanDerWaalsContact C-N 3.34Å; N50-C52 PolarHBondContact O-N 3.22Å; C52-K56 VanDerWaalsContact O-CG 3.27Å; C52-K56 WeakPolarHBondContact O-CG 3.47Å; C52-K56 PolarHBondContact O-N 2.83Å; C52-I78 VanDerWaalsContact SG-CD1 3.56Å
53Q81.9Confident81.3Confident118 Ų11859 Ų5955%0.55130%0.297SS*.Hα-helixtrans-67.2-42.2177.8-70.7176.75.500111.6Q49 N50 E51 K56Q49-Q53 WeakPolarHBondContact O-CG 3.46Å; Q49-Q53 PolarHBondContact O-N 3.45Å; N50-Q53 WeakPolarHBondContact O-CB 3.18Å; N50-Q53 PolarHBondContact O-N 3.02Å; N50-Q53 VanDerWaalsContact O-N 3.12Å; E51-Q53 VanDerWaalsContact C-N 3.3Å; E51-Q53 PolarHBondContact O-N 3.01Å; Q53-K56 PolarHBondContact O-N 3.06Å
54V80.9Confident82.5Confident20 Ų2055.1 Ų55.112%0.12128%0.277CS..Hα-helixtrans-67.5-44.5177.81730000111.3N50 E51 K56 L57 I124 I150N50-V54 WeakPolarHBondContact O-CG2 3.49Å; N50-V54 PolarHBondContact O-N 2.65Å; E51-V54 PolarHBondContact O-N 3.5Å; V54-K56 PolarHBondContact O-N 2.95Å; V54-L57 WeakPolarHBondContact O-CB 3.15Å; V54-L57 PolarHBondContact O-N 3.23Å; V54-I124 HydrophobicContact CG1-CD1 3.74Å; V54-I124 HydrophobicContact CG1-CG1 4.16Å; V54-I124 HydrophobicContact CG1-CG2 4.03Å; V54-I150 HydrophobicContact CB-CD1 3.69Å; V54-I150 HydrophobicContact CB-CG1 4.47Å; V54-I150 HydrophobicContact CG1-CD1 3.42Å; V54-I150 VanDerWaalsContact CG1-CD1 3.42Å; V54-I150 HydrophobicContact CG1-CG1 4.15Å; V54-I150 HydrophobicContact CG2-CD1 4.41Å; V54-I150 HydrophobicContact CG2-CG2 4.25Å
55L83.6Confident83.4Confident24 Ų2457.5 Ų57.513%0.12629%0.288CS..Hα-helixtrans-57.9-37.3177.9-72.2173.4000112.1E51 L57 L58 Y66 F148E51-L55 HydrophobicContact CG-CD1 4.15Å; E51-L55 WeakPolarHBondContact O-CG 3.45Å; E51-L55 PolarHBondContact O-N 2.87Å; L55-L57 PolarHBondContact O-N 2.81Å; L55-L58 PolarHBondContact O-N 2.85Å; L55-Y66 HydrophobicContact CB-CD2 3.92Å; L55-Y66 HydrophobicContact CB-CG 4.2Å; L55-Y66 HydrophobicContact CD1-CD2 4.4Å; L55-F148 HydrophobicContact CD2-CD2 3.75Å; L55-F148 HydrophobicContact CD2-CE2 4.34Å
56K86Confident84.2Confident123 Ų12354 Ų5454%0.53528%0.275SS..Hα-helixtrans-62.2-24.8174.7-75.3171.6-178.3-173.50114.1C52 Q53 V54 L58 Y66C52-K56 VanDerWaalsContact O-CG 3.27Å; C52-K56 WeakPolarHBondContact O-CG 3.47Å; C52-K56 PolarHBondContact O-N 2.83Å; Q53-K56 PolarHBondContact O-N 3.06Å; V54-K56 PolarHBondContact O-N 2.95Å; K56-L58 VanDerWaalsContact C-N 3.35Å; K56-Y66 HydrophobicContact CD-CE1 4.21Å; K56-Y66 WeakPolarHBondContact CE-OH 3.28Å; K56-Y66 HydrophobicContact CG-CD1 3.73Å; K56-Y66 HydrophobicContact CG-CE1 3.37Å; K56-Y66 HydrophobicContact CG-CE2 4.5Å; K56-Y66 HydrophobicContact CG-CG 4.48Å
57L85.7Confident85Confident103 Ų10352.4 Ų52.454%0.53926%0.262SS..THydrogen-bonded Turntrans-83.7-13.4-178.2-64.5173.4000113.1V54 L55 K122V54-L57 WeakPolarHBondContact O-CB 3.15Å; V54-L57 PolarHBondContact O-N 3.23Å; L55-L57 PolarHBondContact O-N 2.81Å; L57-K122 WeakPolarHBondContact O-CE 3.42Å; L57-K122 PolarHBondContact O-NZ 3Å
58L87.8Confident86Confident13 Ų1354.6 Ų54.67%0.06827%0.271CS..  trans-97.5118-174.6-61.6176.9000109.7L55 K56 I63 V119 K122 I124 F148L55-L58 PolarHBondContact O-N 2.85Å; K56-L58 VanDerWaalsContact C-N 3.35Å; L58-I63 HydrophobicContact CB-CD1 4.48Å; L58-I63 HydrophobicContact CB-CG2 4.42Å; L58-V119 HydrophobicContact CD2-CG2 4.1Å; L58-K122 HydrophobicContact CD2-CD 3.88Å; L58-I124 HydrophobicContact CD2-CD1 3.84Å; L58-I124 HydrophobicContact CG-CD1 4.42Å; L58-F148 HydrophobicContact CD1-CD1 4.15Å; L58-F148 HydrophobicContact CD1-CD2 4.12Å; L58-F148 HydrophobicContact CD1-CE1 3.66Å; L58-F148 HydrophobicContact CD1-CE2 3.63Å; L58-F148 HydrophobicContact CD1-CG 4.38Å; L58-F148 HydrophobicContact CD1-CZ 3.39Å
59N88.4Confident86.8Confident131 Ų13156.8 Ų56.870%0.70128%0.282SS*.  trans-137.9104.9173.6-1789000108.5H118N59-H118 PolarHBondContact N-NE2 2.91Å; N59-H118 PolarHBondContact O-CE1 2.9Å; N59-H118 VanDerWaalsContact O-CE1 3.23Å; N59-H118 PolarHBondContact O-NE2 2.81Å
60H91.3Very high87.5Confident31 Ų3153.5 Ų53.514%0.14427%0.266CS..  trans-155.7140.3-175.9-171.6-91.6000109.7N62 I63 H118H60-N62 PolarHBondContact CE1-OD1 2.99Å; H60-N62 PolarHBondContact ND1-N 2.91Å; H60-N62 VanDerWaalsContact ND1-N 3.12Å; H60-N62 PolarHBondContact O-N 2.83Å; H60-N62 VanDerWaalsContact O-N 3.09Å; H60-I63 HydrophobicContact CB-CB 4.18Å; H60-I63 HydrophobicContact CB-CD1 3.7Å; H60-I63 HydrophobicContact CB-CG1 3.87Å; H60-I63 PolarHBondContact O-N 2.9Å; H60-H118 AromaticContact CD2-CG 3.9Å
61P91Very high88Confident87 Ų8755.9 Ų55.957%0.56528%0.278SS*.THydrogen-bonded Turntrans-57.9-29.5-177.422.3-35.2000113.6K144P61-K144 VanDerWaalsContact O-CD 3.32Å; P61-K144 WeakPolarHBondContact O-CD 3.27Å; P61-K144 WeakPolarHBondContact O-CE 3.06Å; P61-K144 PolarHBondContact O-NZ 3.12Å
62N94.6Very high88.3Confident6 Ų657.9 Ų57.93%0.03229%0.287CS..THydrogen-bonded Turntrans-9816.9179.6-57.3110.9000115H60 Q111 A115 V143 I145H60-N62 PolarHBondContact CE1-OD1 2.99Å; H60-N62 PolarHBondContact ND1-N 2.91Å; H60-N62 VanDerWaalsContact ND1-N 3.12Å; H60-N62 PolarHBondContact O-N 2.83Å; H60-N62 VanDerWaalsContact O-N 3.09Å; N62-Q111 PolarHBondContact ND2-OE1 3.01Å; N62-A115 HydrophobicContact CB-CB 3.92Å; N62-V143 WeakPolarHBondContact CA-O 3.45Å; N62-V143 WeakPolarHBondContact CB-O 3.43Å; N62-V143 PolarHBondContact ND2-O 3.28Å; N62-I145 PolarHBondContact O-N 2.59Å
63I92.9Very high88.4Confident4 Ų464.7 Ų64.72%0.02132%0.323CS..BIsolated β-bridgetrans-119.2141.5172.5-62.2176000107.6L58 H60 E65 A115 V119 I145 F148L58-I63 HydrophobicContact CB-CD1 4.48Å; L58-I63 HydrophobicContact CB-CG2 4.42Å; H60-I63 HydrophobicContact CB-CB 4.18Å; H60-I63 HydrophobicContact CB-CD1 3.7Å; H60-I63 HydrophobicContact CB-CG1 3.87Å; H60-I63 PolarHBondContact O-N 2.9Å; I63-E65 PolarHBondContact O-N 2.85Å; I63-A115 HydrophobicContact CD1-CB 4.46Å; I63-A115 HydrophobicContact CG1-CB 3.9Å; I63-V119 HydrophobicContact CD1-CG2 3.67Å; I63-I145 WeakPolarHBondContact CA-O 3.47Å; I63-F148 HydrophobicContact CD1-CZ 4.33Å; I63-F148 HydrophobicContact CG2-CE2 3.78Å; I63-F148 HydrophobicContact CG2-CZ 3.89Å
64I92.2Very high88.4Confident19 Ų1965.2 Ų65.210%0.09732%0.323CS..PPolyproline II helixtrans-58.9120.4174.2-70.2-69.4000109.2M80 E81 A83 L135 K144 I145I64-M80 HydrophobicContact CG2-CB 3.94Å; I64-M80 HydrophobicContact CG2-CG 4.21Å; I64-M80 HydrophobicContact CG2-SD 4.36Å; I64-E81 HydrophobicContact CG2-CB 4.17Å; I64-A83 HydrophobicContact CD1-CB 3.96Å; I64-L135 HydrophobicContact CD1-CD1 3.74Å; I64-L135 HydrophobicContact CG1-CD1 4.03Å; I64-K144 HydrophobicContact CD1-CB 3.6Å; I64-K144 HydrophobicContact CD1-CG 4.26Å; I64-K144 HydrophobicContact CG1-CB 4.05Å; I64-I145 PolarHBondContact N-O 2.82Å
65E91.3Very high88.7Confident96 Ų9664.5 Ų64.545%0.44932%0.32SS..PPolyproline II helixtrans-69.2133.1-177.7-165.5179.9176.800111.4I63 Y67 M80 E81I63-E65 PolarHBondContact O-N 2.85Å; E65-Y67 HydrophobicContact CB-CE1 4.15Å; E65-Y67 HydrophobicContact CG-CD1 4.28Å; E65-Y67 HydrophobicContact CG-CE1 3.91Å; E65-M80 CarbonylContact O-C 3.18Å; E65-M80 VanDerWaalsContact O-CA 3.26Å; E65-M80 WeakPolarHBondContact O-CA 3.42Å; E65-M80 WeakPolarHBondContact O-CB 3.34Å; E65-E81 HydrophobicContact CB-CB 3.97Å; E65-E81 PolarHBondContact N-OE2 3.13Å; E65-E81 VanDerWaalsContact N-OE2 3.16Å; E65-E81 PolarHBondContact O-N 2.95Å
66Y91.2Very high88.9Confident35 Ų3563.9 Ų63.914%0.13732%0.316CS..EExtended strand (participates in β ladder)trans-87.4132170.9166.6-82.2000109.6L55 K56 E68 N69 I78L55-Y66 HydrophobicContact CB-CD2 3.92Å; L55-Y66 HydrophobicContact CB-CG 4.2Å; L55-Y66 HydrophobicContact CD1-CD2 4.4Å; K56-Y66 HydrophobicContact CD-CE1 4.21Å; K56-Y66 WeakPolarHBondContact CE-OH 3.28Å; K56-Y66 HydrophobicContact CG-CD1 3.73Å; K56-Y66 HydrophobicContact CG-CE1 3.37Å; K56-Y66 HydrophobicContact CG-CE2 4.5Å; K56-Y66 HydrophobicContact CG-CG 4.48Å; Y66-E68 WeakPolarHBondContact OH-CA 3.42Å; Y66-N69 HydrophobicContact CE2-CB 4.32Å; Y66-N69 PolarHBondContact OH-N 2.82Å; Y66-N69 PolarHBondContact OH-ND2 2.87Å; Y66-I78 HydrophobicContact CD2-CG2 3.97Å; Y66-I78 HydrophobicContact CE2-CG2 3.91Å
67Y91.7Very high89Confident73 Ų7358.2 Ų58.229%0.28629%0.292SS..EExtended strand (participates in β ladder)trans-102-65.5177.9-61.1-40.5000112.7V30 E65 A79V30-Y67 HydrophobicContact CB-CE2 4.38Å; V30-Y67 HydrophobicContact CG1-CD2 4.11Å; V30-Y67 HydrophobicContact CG1-CE2 3.77Å; E65-Y67 HydrophobicContact CB-CE1 4.15Å; E65-Y67 HydrophobicContact CG-CD1 4.28Å; E65-Y67 HydrophobicContact CG-CE1 3.91Å; Y67-A79 PolarHBondContact N-O 2.97Å
68E91.3Very high89.2Confident55 Ų5553.4 Ų53.426%0.25727%0.267SS..EExtended strand (participates in β ladder)trans-155.2167.1-178.862.7178.712500111.5K3 Y4 Y66 F70 A79K3-E68 IonicContact NZ-OE1 3.35Å; K3-E68 PolarHBondContact NZ-OE1 2.87Å; K3-E68 IonicContact NZ-OE2 3.95Å; K3-E68 PolarHBondContact NZ-OE2 3.31Å; Y4-E68 WeakPolarHBondContact OH-CG 3.43Å; Y4-E68 PolarHBondContact OH-OE1 3.11Å; Y66-E68 WeakPolarHBondContact OH-CA 3.42Å; E68-F70 HydrophobicContact CG-CD1 4.42Å; E68-A79 HydrophobicContact CG-CB 4.06Å; E68-A79 PolarHBondContact O-N 3.33Å
69N90.9Very high89.4Confident52 Ų5252.8 Ų52.828%0.27826%0.263SS..EExtended strand (participates in β ladder)trans-136.5148169.376.680.6000109.8Y66 L76 M77 I78Y66-N69 HydrophobicContact CE2-CB 4.32Å; Y66-N69 PolarHBondContact OH-N 2.82Å; Y66-N69 PolarHBondContact OH-ND2 2.87Å; N69-L76 HydrophobicContact CB-CD1 4.33Å; N69-M77 CarbonylContact C-O 3.57Å; N69-M77 WeakPolarHBondContact CA-O 3.4Å; N69-M77 WeakPolarHBondContact CB-O 3.44Å; N69-I78 HydrophobicContact CB-CG1 4.34Å
70F90.6Very high89.6Confident47 Ų4748 Ų4821%0.20624%0.237CC..EExtended strand (participates in β ladder)trans-153.7159.8179.853.8-86.7000110.2Y4 L32 E68 E72 M77Y4-F70 HydrophobicContact CD2-CE1 4.12Å; Y4-F70 AromaticContact CD2-CZ 3.98Å; Y4-F70 HydrophobicContact CD2-CZ 3.98Å; Y4-F70 AromaticContact CE2-CE1 3.68Å; Y4-F70 HydrophobicContact CE2-CE1 3.68Å; Y4-F70 HydrophobicContact CE2-CZ 4.03Å; L32-F70 HydrophobicContact CD2-CE1 4.07Å; L32-F70 HydrophobicContact CD2-CZ 3.97Å; E68-F70 HydrophobicContact CG-CD1 4.42Å; F70-E72 HydrophobicContact CD2-CB 4.19Å; F70-E72 HydrophobicContact CE2-CB 4.23Å; F70-E72 WeakPolarHBondContact CE2-OE2 3.47Å; F70-M77 HydrophobicContact CD1-CB 4.35Å; F70-M77 HydrophobicContact CD2-CB 3.84Å; F70-M77 HydrophobicContact CD2-CG 4.08Å; F70-M77 HydrophobicContact CE1-CB 4.03Å; F70-M77 HydrophobicContact CE2-CB 3.49Å; F70-M77 VanDerWaalsContact CE2-CB 3.49Å; F70-M77 HydrophobicContact CE2-CG 3.63Å; F70-M77 HydrophobicContact CG-CB 4.25Å; F70-M77 HydrophobicContact CZ-CB 3.59Å; F70-M77 HydrophobicContact CZ-CG 4.14Å; F70-M77 PolarHBondContact N-O 3.16Å; F70-M77 WeakPolarHBondContact O-CB 3.34Å; F70-M77 PolarHBondContact O-N 3.22Å
71L86.6Confident89.7Confident125 Ų12548.3 Ų48.365%0.65424%0.239SC*.EExtended strand (participates in β ladder)trans-97.9129.1175.2-77.1158.3000109.2V37 A75 L76V37-L71 HydrophobicContact CG2-CD2 3.87Å; L71-A75 WeakPolarHBondContact CA-O 3.33Å; L71-L76 HydrophobicContact CD2-CB 4.29Å
72E84.6Confident89.8Confident49 Ų4947.3 Ų47.323%0.22922%0.224CC..EExtended strand (participates in β ladder)trans-146.9138.2177-177.6165.4-152.700109.3M1 F70 K74 A75 M77M1-E72 WeakPolarHBondContact CB-OE1 3.42Å; M1-E72 WeakPolarHBondContact CG-OE1 3.18Å; M1-E72 PolarHBondContact N-OE1 2.82Å; M1-E72 PolarHBondContact N-OE2 2.82Å; F70-E72 HydrophobicContact CD2-CB 4.19Å; F70-E72 HydrophobicContact CE2-CB 4.23Å; F70-E72 WeakPolarHBondContact CE2-OE2 3.47Å; E72-K74 PolarHBondContact O-N 2.92Å; E72-A75 PolarHBondContact N-O 2.92Å; E72-A75 WeakPolarHBondContact O-CA 3.16Å; E72-A75 PolarHBondContact O-N 3.15Å; E72-M77 HydrophobicContact CB-CG 4.18Å
73D82.1Confident89.7Confident148 Ų14847.5 Ų47.579%0.79123%0.227SC*.THydrogen-bonded Turntrans48.238.8178.8-60.8-32.7000114.5A75D73-A75 PolarHBondContact O-N 3Å
74K82.9Confident89.6Confident128 Ų12850.5 Ų50.556%0.55725%0.246SC*.THydrogen-bonded Turntrans6025.1-177.3-45174.8-177172.50113.9V37 E38 E72V37-K74 WeakPolarHBondContact CG2-O 3.26Å; V37-K74 PolarHBondContact N-O 3.35Å; E38-K74 HydrophobicContact CB-CB 4.17Å; E38-K74 HydrophobicContact CB-CD 4.4Å; E38-K74 HydrophobicContact CG-CD 4.16Å; E38-K74 PolarHBondContact N-O 2.86Å; E38-K74 VanDerWaalsContact OE1-CD 3.25Å; E38-K74 WeakPolarHBondContact OE1-CD 3.48Å; E38-K74 WeakPolarHBondContact OE1-CE 3.12Å; E38-K74 IonicContact OE1-NZ 2.64Å; E38-K74 PolarHBondContact OE1-NZ 3.06Å; E38-K74 WeakPolarHBondContact OE2-CD 3.44Å; E38-K74 IonicContact OE2-NZ 3.29Å; E38-K74 PolarHBondContact OE2-NZ 2.78Å; E72-K74 PolarHBondContact O-N 2.92Å
75A86.3Confident89.6Confident5 Ų550 Ų504%0.04125%0.247CC..EExtended strand (participates in β ladder)trans-120.6147169.600000110.6E34 I35 L71 E72 D73E34-A75 HydrophobicContact CG-CB 3.9Å; I35-A75 CarbonylContact O-C 3.54Å; I35-A75 VanDerWaalsContact O-CA 3.28Å; I35-A75 WeakPolarHBondContact O-CA 3.32Å; L71-A75 WeakPolarHBondContact CA-O 3.33Å; E72-A75 PolarHBondContact N-O 2.92Å; E72-A75 WeakPolarHBondContact O-CA 3.16Å; E72-A75 PolarHBondContact O-N 3.15Å; D73-A75 PolarHBondContact O-N 3Å
76L87.3Confident89.6Confident11 Ų1146.2 Ų46.26%0.05823%0.233CC..EExtended strand (participates in β ladder)trans-84.9121.1168.5175.666.5000108.5I35 V37 A48 N69 L71 I78I35-L76 HydrophobicContact CB-CB 4.33Å; I35-L76 PolarHBondContact N-O 3.1Å; I35-L76 PolarHBondContact O-N 2.98Å; V37-L76 HydrophobicContact CG1-CB 3.73Å; A48-L76 HydrophobicContact CB-CD2 4.02Å; N69-L76 HydrophobicContact CB-CD1 4.33Å; L71-L76 HydrophobicContact CD2-CB 4.29Å; L76-I78 HydrophobicContact CD2-CD1 4.46Å; L76-I78 HydrophobicContact CG-CG1 4.29Å
77M89.3Confident89.7Confident5 Ų545.6 Ų45.63%0.02523%0.233CC..EExtended strand (participates in β ladder)trans-102.2126178.4-58.1-60.8-73.700109.1L32 K33 E34 N69 F70 E72L32-M77 HydrophobicContact CB-CE 4.13Å; L32-M77 HydrophobicContact CD1-CE 4.22Å; L32-M77 HydrophobicContact CD2-CB 4.44Å; L32-M77 HydrophobicContact CD2-CE 4.45Å; K33-M77 WeakPolarHBondContact O-CA 3.27Å; E34-M77 HydrophobicContact CB-CE 4Å; E34-M77 HydrophobicContact CB-SD 3.56Å; E34-M77 VanDerWaalsContact CB-SD 3.56Å; E34-M77 HydrophobicContact CG-CE 4.35Å; E34-M77 HydrophobicContact CG-SD 3.54Å; E34-M77 VanDerWaalsContact CG-SD 3.54Å; N69-M77 CarbonylContact C-O 3.57Å; N69-M77 WeakPolarHBondContact CA-O 3.4Å; N69-M77 WeakPolarHBondContact CB-O 3.44Å; F70-M77 HydrophobicContact CD1-CB 4.35Å; F70-M77 HydrophobicContact CD2-CB 3.84Å; F70-M77 HydrophobicContact CD2-CG 4.08Å; F70-M77 HydrophobicContact CE1-CB 4.03Å; F70-M77 HydrophobicContact CE2-CB 3.49Å; F70-M77 VanDerWaalsContact CE2-CB 3.49Å; F70-M77 HydrophobicContact CE2-CG 3.63Å; F70-M77 HydrophobicContact CG-CB 4.25Å; F70-M77 HydrophobicContact CZ-CB 3.59Å; F70-M77 HydrophobicContact CZ-CG 4.14Å; F70-M77 PolarHBondContact N-O 3.16Å; F70-M77 WeakPolarHBondContact O-CB 3.34Å; F70-M77 PolarHBondContact O-N 3.22Å; E72-M77 HydrophobicContact CB-CG 4.18Å
78I89.7Confident89.8Confident1 Ų142.1 Ų42.11%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-116.7116.9176.4-53.5175.7000108.8L32 K33 I35 C52 Y66 N69 L76 M80L32-I78 WeakPolarHBondContact CA-O 3.46Å; K33-I78 HydrophobicContact CB-CB 4.39Å; K33-I78 PolarHBondContact N-O 3.35Å; K33-I78 PolarHBondContact O-N 3.48Å; I35-I78 HydrophobicContact CD1-CD1 3.77Å; C52-I78 VanDerWaalsContact SG-CD1 3.56Å; Y66-I78 HydrophobicContact CD2-CG2 3.97Å; Y66-I78 HydrophobicContact CE2-CG2 3.91Å; N69-I78 HydrophobicContact CB-CG1 4.34Å; L76-I78 HydrophobicContact CD2-CD1 4.46Å; L76-I78 HydrophobicContact CG-CG1 4.29Å; I78-M80 HydrophobicContact CB-CE 4.14Å; I78-M80 HydrophobicContact CG2-CE 3.72Å
79A91.9Very high89.9Confident0 Ų040.5 Ų40.50%022%0.215CC..EExtended strand (participates in β ladder)trans-90.9128.5176.900000110.9Y4 I31 L32 Y67 E68Y4-A79 HydrophobicContact CE2-CB 4.5Å; Y4-A79 WeakPolarHBondContact OH-CB 3.38Å; I31-A79 CarbonylContact O-C 3.42Å; I31-A79 WeakPolarHBondContact O-CA 3.5Å; L32-A79 HydrophobicContact CD2-CB 3.73Å; Y67-A79 PolarHBondContact N-O 2.97Å; E68-A79 HydrophobicContact CG-CB 4.06Å; E68-A79 PolarHBondContact O-N 3.33Å
80M92.2Very high90Very high30 Ų3041.9 Ų41.915%0.14822%0.22CC..EExtended strand (participates in β ladder)trans-144.8165.4-175.664.9-169.66500112.9I31 K33 I64 E65 I78I31-M80 HydrophobicContact CB-CG 3.64Å; I31-M80 HydrophobicContact CB-SD 4.46Å; I31-M80 HydrophobicContact CG2-CG 3.72Å; I31-M80 HydrophobicContact CG2-SD 3.94Å; I31-M80 PolarHBondContact N-O 3.17Å; I31-M80 PolarHBondContact O-N 2.73Å; K33-M80 HydrophobicContact CB-CE 3.81Å; K33-M80 HydrophobicContact CD-CE 4.09Å; I64-M80 HydrophobicContact CG2-CB 3.94Å; I64-M80 HydrophobicContact CG2-CG 4.21Å; I64-M80 HydrophobicContact CG2-SD 4.36Å; E65-M80 CarbonylContact O-C 3.18Å; E65-M80 VanDerWaalsContact O-CA 3.26Å; E65-M80 WeakPolarHBondContact O-CA 3.42Å; E65-M80 WeakPolarHBondContact O-CB 3.34Å; I78-M80 HydrophobicContact CB-CE 4.14Å; I78-M80 HydrophobicContact CG2-CE 3.72Å
81E92.8Very high90.2Very high39 Ų3941.4 Ų41.418%0.18222%0.217CC..EExtended strand (participates in β ladder)trans-55.8138.1177-175.5-178-174.400111.7I64 E65 K144I64-E81 HydrophobicContact CG2-CB 4.17Å; E65-E81 HydrophobicContact CB-CB 3.97Å; E65-E81 PolarHBondContact N-OE2 3.13Å; E65-E81 VanDerWaalsContact N-OE2 3.16Å; E65-E81 PolarHBondContact O-N 2.95Å; E81-K144 WeakPolarHBondContact OE1-CE 3.39Å; E81-K144 IonicContact OE1-NZ 2.61Å; E81-K144 PolarHBondContact OE1-NZ 3.34Å; E81-K144 WeakPolarHBondContact OE2-CE 3.26Å; E81-K144 IonicContact OE2-NZ 3.74Å; E81-K144 PolarHBondContact OE2-NZ 3.36Å
82Y92.8Very high90.5Very high65 Ų6536.1 Ų36.126%0.25519%0.189SC..  trans-95121.8171.5175.1-124.6000110.7L20 L29 I31 P84L20-Y82 HydrophobicContact CD1-CD1 3.87Å; L20-Y82 HydrophobicContact CD1-CD2 3.78Å; L20-Y82 HydrophobicContact CD1-CE1 3.99Å; L20-Y82 HydrophobicContact CD1-CE2 3.91Å; L20-Y82 HydrophobicContact CD1-CG 3.75Å; L29-Y82 HydrophobicContact CB-CD1 3.8Å; L29-Y82 HydrophobicContact CB-CE1 4.49Å; L29-Y82 HydrophobicContact CD1-CD1 4.2Å; L29-Y82 HydrophobicContact CD1-CE1 4.09Å; I31-Y82 HydrophobicContact CD1-CD2 3.6Å; I31-Y82 HydrophobicContact CD1-CE2 4.24Å; I31-Y82 HydrophobicContact CD1-CG 4.41Å; I31-Y82 HydrophobicContact CG1-CD2 3.81Å; I31-Y82 HydrophobicContact CG1-CG 4.4Å; Y82-P84 HydrophobicContact CD1-CB 4.33Å; Y82-P84 HydrophobicContact CE1-CB 3.65Å; Y82-P84 HydrophobicContact CE1-CG 4.49Å; Y82-P84 WeakPolarHBondContact O-CD 3.25Å
83A93.2Very high90.8Very high11 Ų1141.1 Ų41.19%0.09121%0.213CC..  trans-103.2101.817500000110.2I64 G85 L135 L136I64-A83 HydrophobicContact CD1-CB 3.96Å; A83-G85 VanDerWaalsContact C-N 3.34Å; A83-G85 PolarHBondContact O-N 3.29Å; A83-L135 HydrophobicContact CB-CB 3.68Å; A83-L135 HydrophobicContact CB-CD1 4.16Å; A83-L135 HydrophobicContact CB-CG 4.45Å; A83-L136 CarbonylContact C-O 3.5Å; A83-L136 WeakPolarHBondContact CB-O 3.35Å
84P91.3Very high91.2Very high66 Ų6640.7 Ų40.743%0.42920%0.204SC..THydrogen-bonded Turntrans-78.1-10-169.729.2-35.9000115.2Y82 G86 K138Y82-P84 HydrophobicContact CD1-CB 4.33Å; Y82-P84 HydrophobicContact CE1-CB 3.65Å; Y82-P84 HydrophobicContact CE1-CG 4.49Å; Y82-P84 WeakPolarHBondContact O-CD 3.25Å; P84-G86 PolarHBondContact O-N 3.49Å; P84-K138 HydrophobicContact CG-CB 3.67Å
85G91.2Very high91.5Very high10 Ų1038.4 Ų38.410%0.10319%0.192CC..THydrogen-bonded Turntrans-73.8-5-176.800000115.2A83 L136 D137 Q140A83-G85 VanDerWaalsContact C-N 3.34Å; A83-G85 PolarHBondContact O-N 3.29Å; G85-L136 WeakPolarHBondContact CA-O 3.08Å; G85-L136 PolarHBondContact N-O 3.36Å; G85-D137 WeakPolarHBondContact CA-O 3.41Å; G85-D137 PolarHBondContact N-O 2.97Å; G85-Q140 PolarHBondContact O-NE2 3.23Å; G85-Q140 VanDerWaalsContact O-NE2 3.11Å
86G92Very high91.4Very high16 Ų1643.3 Ų43.317%0.16522%0.224CC..  trans81.3-168-174.600000112.5P84 L135 L136P84-G86 PolarHBondContact O-N 3.49Å; G86-L135 WeakPolarHBondContact O-CA 3.49Å; G86-L136 PolarHBondContact O-N 3.03Å
87T93.2Very high91.2Very high22 Ų2249.2 Ų49.214%0.13526%0.256CS..BIsolated β-bridgetrans-86.2155.7177.863.20000111.7A89 E90 Y91 Q132 I134 L135T87-A89 PolarHBondContact O-N 3.19Å; T87-E90 WeakPolarHBondContact O-CB 3.42Å; T87-E90 PolarHBondContact O-N 3.35Å; T87-E90 VanDerWaalsContact OG1-CG 3.28Å; T87-E90 WeakPolarHBondContact OG1-CG 3.12Å; T87-E90 PolarHBondContact OG1-N 2.98Å; T87-E90 VanDerWaalsContact OG1-N 3.15Å; T87-E90 PolarHBondContact OG1-OE1 3.27Å; T87-Y91 PolarHBondContact O-N 3.33Å; T87-Q132 VanDerWaalsContact CG2-O 3.27Å; T87-Q132 WeakPolarHBondContact CG2-O 3.18Å; T87-I134 CarbonylContact C-O 3.16Å; T87-I134 WeakPolarHBondContact CA-O 3.44Å; T87-L135 HydrophobicContact CG2-CD2 3.75Å
88L94.6Very high91.3Very high0 Ų052.2 Ų52.20%028%0.278CS..Hα-helixtrans-62.7-31.2172.3-170.661.8000111.3Y91 I92 F108 I112 T131 I134 L136 V192 L196L88-Y91 HydrophobicContact CD1-CD1 4.37Å; L88-Y91 WeakPolarHBondContact O-CB 3.28Å; L88-Y91 PolarHBondContact O-N 2.77Å; L88-I92 HydrophobicContact CG-CD1 4.33Å; L88-I92 WeakPolarHBondContact O-CG1 3.4Å; L88-I92 PolarHBondContact O-N 3.42Å; L88-F108 HydrophobicContact CD1-CD2 4.43Å; L88-I112 HydrophobicContact CD2-CD1 4.31Å; L88-T131 HydrophobicContact CD2-CG2 4.37Å; L88-T131 PolarHBondContact N-O 3.11Å; L88-I134 HydrophobicContact CB-CB 4.07Å; L88-I134 HydrophobicContact CB-CG2 4.06Å; L88-I134 WeakPolarHBondContact CB-O 3.4Å; L88-I134 HydrophobicContact CD2-CB 4.27Å; L88-I134 HydrophobicContact CD2-CD1 4.31Å; L88-I134 HydrophobicContact CD2-CG2 3.9Å; L88-I134 PolarHBondContact N-O 2.91Å; L88-L136 HydrophobicContact CD1-CD1 4.32Å; L88-L136 HydrophobicContact CD1-CD2 4.41Å; L88-V192 HydrophobicContact CD2-CG1 4.26Å; L88-L196 HydrophobicContact CD1-CD2 4.04Å; L88-L196 HydrophobicContact CD2-CD2 4.16Å; L88-L196 HydrophobicContact CG-CD2 4.26Å
89A92.4Very high91.5Very high20 Ų2054.6 Ų54.617%0.16529%0.29CS..Hα-helixtrans-60.1-47.2172.200000112.1T87 Y91 I92 Q93 T131 Q132T87-A89 PolarHBondContact O-N 3.19Å; A89-Y91 VanDerWaalsContact C-N 3.31Å; A89-Y91 PolarHBondContact O-N 3.37Å; A89-I92 PolarHBondContact O-N 3.04Å; A89-Q93 WeakPolarHBondContact O-CB 3.02Å; A89-Q93 PolarHBondContact O-N 3.1Å; A89-T131 PolarHBondContact N-O 3.02Å; A89-Q132 HydrophobicContact CB-CG 3.94Å
90E92.9Very high91.6Very high82 Ų8254.7 Ų54.738%0.38329%0.291SS..Hα-helixtrans-63.2-38.4175.1-74.1160.9-141.800112T87 Q93 K94T87-E90 WeakPolarHBondContact O-CB 3.42Å; T87-E90 PolarHBondContact O-N 3.35Å; T87-E90 VanDerWaalsContact OG1-CG 3.28Å; T87-E90 WeakPolarHBondContact OG1-CG 3.12Å; T87-E90 PolarHBondContact OG1-N 2.98Å; T87-E90 VanDerWaalsContact OG1-N 3.15Å; T87-E90 PolarHBondContact OG1-OE1 3.27Å; E90-Q93 PolarHBondContact O-N 3.28Å; E90-K94 WeakPolarHBondContact O-CB 3.38Å; E90-K94 VanDerWaalsContact O-CG 3.28Å; E90-K94 WeakPolarHBondContact O-CG 3.45Å; E90-K94 PolarHBondContact O-N 2.68Å
91Y94.3Very high91.8Very high36 Ų3657.6 Ų57.614%0.14131%0.307CS..Hα-helixtrans-60.4-48175.9-177.5-89.2000111.4T87 L88 A89 K94 L100 F108 L136 Q140T87-Y91 PolarHBondContact O-N 3.33Å; L88-Y91 HydrophobicContact CD1-CD1 4.37Å; L88-Y91 WeakPolarHBondContact O-CB 3.28Å; L88-Y91 PolarHBondContact O-N 2.77Å; A89-Y91 VanDerWaalsContact C-N 3.31Å; A89-Y91 PolarHBondContact O-N 3.37Å; Y91-K94 PolarHBondContact O-N 2.79Å; Y91-L100 HydrophobicContact CE1-CD1 4.25Å; Y91-L100 HydrophobicContact CE1-CD2 3.83Å; Y91-F108 HydrophobicContact CD1-CE2 4.31Å; Y91-F108 AromaticContact CE1-CE2 3.73Å; Y91-F108 HydrophobicContact CE1-CE2 3.73Å; Y91-F108 HydrophobicContact CE1-CZ 4.15Å; Y91-F108 HydrophobicContact CE2-CZ 4.48Å; Y91-L136 HydrophobicContact CD2-CD1 3.82Å; Y91-L136 HydrophobicContact CG-CD1 3.9Å; Y91-Q140 HydrophobicContact CD2-CB 4.27Å; Y91-Q140 HydrophobicContact CD2-CG 4.44Å; Y91-Q140 HydrophobicContact CE2-CB 4.11Å
92I93Very high91.9Very high14 Ų1457.9 Ų57.97%0.07231%0.308CS..Hα-helixtrans-61.9-45.7176.6-70.6167.6000110.8L88 A89 K94 R95 T131 E195 L196 L199L88-I92 HydrophobicContact CG-CD1 4.33Å; L88-I92 WeakPolarHBondContact O-CG1 3.4Å; L88-I92 PolarHBondContact O-N 3.42Å; A89-I92 PolarHBondContact O-N 3.04Å; I92-K94 VanDerWaalsContact C-N 3.33Å; I92-K94 PolarHBondContact O-N 2.75Å; I92-R95 WeakPolarHBondContact O-CB 3.47Å; I92-R95 PolarHBondContact O-N 3.4Å; I92-R95 VanDerWaalsContact O-N 3.14Å; I92-T131 HydrophobicContact CD1-CG2 4Å; I92-E195 HydrophobicContact CD1-CB 4.21Å; I92-L196 HydrophobicContact CD1-CD2 4.01Å; I92-L196 HydrophobicContact CG1-CD2 4.23Å; I92-L199 HydrophobicContact CG2-CB 4.14Å; I92-L199 HydrophobicContact CG2-CD2 3.82Å
93Q90.6Very high91.9Very high154 Ų15460.9 Ų60.972%0.7233%0.328SS*.Hα-helixtrans-61.8-38.9-178.5-170.5179.68.400112.5A89 E90 R95 C96A89-Q93 WeakPolarHBondContact O-CB 3.02Å; A89-Q93 PolarHBondContact O-N 3.1Å; E90-Q93 PolarHBondContact O-N 3.28Å; Q93-R95 PolarHBondContact O-N 3.15Å; Q93-C96 PolarHBondContact O-N 3.25Å
94K92.3Very high92Very high140 Ų14062.6 Ų62.661%0.60934%0.338SS*.THydrogen-bonded Turntrans-66.1-12.7178.3-75.8170.7-176.9169.80114E90 Y91 I92 C96E90-K94 WeakPolarHBondContact O-CB 3.38Å; E90-K94 VanDerWaalsContact O-CG 3.28Å; E90-K94 WeakPolarHBondContact O-CG 3.45Å; E90-K94 PolarHBondContact O-N 2.68Å; Y91-K94 PolarHBondContact O-N 2.79Å; I92-K94 VanDerWaalsContact C-N 3.33Å; I92-K94 PolarHBondContact O-N 2.75Å; K94-C96 VanDerWaalsContact C-N 3.28Å; K94-C96 PolarHBondContact O-N 3Å
95R89.1Confident92.2Very high79 Ų7959.5 Ų59.530%0.29832%0.318SS..THydrogen-bonded Turntrans-74.6-14.1178.9-64.2-68.1-66.8-174.8-7.2113.7I92 Q93 N97 S98 L99 L100 L199I92-R95 WeakPolarHBondContact O-CB 3.47Å; I92-R95 PolarHBondContact O-N 3.4Å; I92-R95 VanDerWaalsContact O-N 3.14Å; Q93-R95 PolarHBondContact O-N 3.15Å; R95-N97 VanDerWaalsContact C-N 3.34Å; R95-N97 PolarHBondContact O-N 2.76Å; R95-S98 PolarHBondContact NE-O 3.03Å; R95-S98 PolarHBondContact NH2-O 2.92Å; R95-S98 WeakPolarHBondContact O-CB 3.49Å; R95-S98 PolarHBondContact O-N 2.88Å; R95-L99 PolarHBondContact NH2-O 3.44Å; R95-L99 VanDerWaalsContact NH2-O 3.1Å; R95-L100 HydrophobicContact CG-CD2 4.3Å; R95-L199 HydrophobicContact CB-CD1 3.97Å; R95-L199 HydrophobicContact CB-CD2 4.37Å; R95-L199 HydrophobicContact CG-CD2 4.46Å
96C82.8Confident92.5Very high108 Ų10859.3 Ų59.373%0.7331%0.314SS*.THydrogen-bonded Turntrans4850.2176.4-63.50000113.7Q93 K94 S98Q93-C96 PolarHBondContact O-N 3.25Å; K94-C96 VanDerWaalsContact C-N 3.28Å; K94-C96 PolarHBondContact O-N 3Å; C96-S98 VanDerWaalsContact C-N 3.26Å; C96-S98 PolarHBondContact O-N 3.09Å
97N83.2Confident92.5Very high135 Ų13560.7 Ų60.772%0.72232%0.317SS*.THydrogen-bonded Turntrans68.95.6-175.3-56.4-44.7000116.5R95 L99R95-N97 VanDerWaalsContact C-N 3.34Å; R95-N97 PolarHBondContact O-N 2.76Å; N97-L99 PolarHBondContact O-N 2.89Å
98S91.9Very high92.7Very high69 Ų6959.7 Ų59.748%0.48331%0.31SS..  trans-79.998.4170.5-174.90000111R95 C96 L199R95-S98 PolarHBondContact NE-O 3.03Å; R95-S98 PolarHBondContact NH2-O 2.92Å; R95-S98 WeakPolarHBondContact O-CB 3.49Å; R95-S98 PolarHBondContact O-N 2.88Å; C96-S98 VanDerWaalsContact C-N 3.26Å; C96-S98 PolarHBondContact O-N 3.09Å; S98-L199 WeakPolarHBondContact O-CD1 3.08Å
99L93.8Very high92.8Very high51 Ų5159.8 Ų59.827%0.26731%0.311SS..PPolyproline II helixtrans-49.1148.4179.6-62.7-176.8000112.5R95 N97 L199 Y227R95-L99 PolarHBondContact NH2-O 3.44Å; R95-L99 VanDerWaalsContact NH2-O 3.1Å; N97-L99 PolarHBondContact O-N 2.89Å; L99-L199 HydrophobicContact CD2-CD1 4.07Å; L99-L199 HydrophobicContact CD2-CG 3.97Å; L99-Y227 HydrophobicContact CD1-CE2 4.49Å
100L94.5Very high92.9Very high2 Ų258.8 Ų58.81%0.0130%0.303CS..PPolyproline II helixtrans-81.1149.5177.3-68.4170.6000110.7Y91 R95 T104 I105 L196 L199 R226 Y227Y91-L100 HydrophobicContact CE1-CD1 4.25Å; Y91-L100 HydrophobicContact CE1-CD2 3.83Å; R95-L100 HydrophobicContact CG-CD2 4.3Å; L100-T104 HydrophobicContact CD2-CG2 4.39Å; L100-I105 HydrophobicContact CB-CD1 4.03Å; L100-I105 HydrophobicContact CB-CG1 3.65Å; L100-I105 HydrophobicContact CD1-CG1 4.34Å; L100-L196 HydrophobicContact CD1-CD2 3.91Å; L100-L199 HydrophobicContact CG-CD2 4.41Å; L100-R226 PolarHBondContact O-NH1 3.48Å; L100-Y227 WeakPolarHBondContact O-CE1 3.45Å; L100-Y227 PolarHBondContact O-OH 2.95Å
101D95.3Very high93.1Very high91 Ų9155 Ų5549%0.48729%0.285SS..PPolyproline II helixtrans-73.2147.3172.1-63.6-37.5000110.7D103 T104 I105 R226D101-D103 VanDerWaalsContact C-N 3.28Å; D101-D103 PolarHBondContact O-N 2.96Å; D101-T104 WeakPolarHBondContact O-CB 3.39Å; D101-T104 PolarHBondContact O-N 3.12Å; D101-I105 PolarHBondContact O-N 3.1Å; D101-R226 IonicContact OD1-NH2 2.83Å; D101-R226 PolarHBondContact OD1-NH2 2.85Å
102E96.3Very high93.2Very high45 Ų4553.2 Ų53.221%0.2128%0.278CS..Hα-helixtrans-56.9-41.7-172.9-173.9161.413800112.3T104 I105 L106 Y227 S228 L231E102-T104 VanDerWaalsContact C-N 3.28Å; E102-T104 PolarHBondContact O-N 3.35Å; E102-I105 WeakPolarHBondContact O-CB 3.35Å; E102-I105 PolarHBondContact O-N 3.32Å; E102-L106 HydrophobicContact CG-CD1 3.98Å; E102-L106 HydrophobicContact CG-CG 4.36Å; E102-L106 WeakPolarHBondContact O-CB 3.43Å; E102-L106 WeakPolarHBondContact O-CG 3.49Å; E102-L106 PolarHBondContact O-N 3.18Å; E102-Y227 HydrophobicContact CB-CD1 4.13Å; E102-Y227 HydrophobicContact CB-CE1 4.43Å; E102-Y227 HydrophobicContact CG-CD1 4.49Å; E102-Y227 WeakPolarHBondContact OE2-CA 3.01Å; E102-S228 VanDerWaalsContact CD-OG 3.31Å; E102-S228 WeakPolarHBondContact OE1-CB 3.2Å; E102-S228 PolarHBondContact OE1-OG 3.02Å; E102-S228 PolarHBondContact OE2-N 2.84Å; E102-S228 PolarHBondContact OE2-OG 3.43Å; E102-L231 HydrophobicContact CG-CD2 4.04Å
103D92.9Very high93.3Very high127 Ų12752.6 Ų52.668%0.67928%0.275SS*.Hα-helixtrans-60.5-37.5176.6-70.4-35.1000112.4D101 H107D101-D103 VanDerWaalsContact C-N 3.28Å; D101-D103 PolarHBondContact O-N 2.96Å; D103-H107 VanDerWaalsContact O-CB 3.26Å; D103-H107 WeakPolarHBondContact O-CB 3.13Å; D103-H107 PolarHBondContact O-N 2.94Å
104T94Very high93.5Very high48 Ų4845.8 Ų45.829%0.29424%0.243SC..Hα-helixtrans-70.8-41.2177.4-57.60000111.1L100 D101 E102 L106 H107 F108L100-T104 HydrophobicContact CD2-CG2 4.39Å; D101-T104 WeakPolarHBondContact O-CB 3.39Å; D101-T104 PolarHBondContact O-N 3.12Å; E102-T104 VanDerWaalsContact C-N 3.28Å; E102-T104 PolarHBondContact O-N 3.35Å; T104-L106 VanDerWaalsContact C-N 3.34Å; T104-H107 PolarHBondContact O-N 2.97Å; T104-F108 HydrophobicContact CG2-CD2 4.15Å; T104-F108 HydrophobicContact CG2-CE2 3.74Å; T104-F108 WeakPolarHBondContact O-CD2 3.02Å; T104-F108 PolarHBondContact O-N 3.37Å; T104-F108 VanDerWaalsContact O-N 3.13Å
105I96.7Very high93.6Very high0 Ų039.1 Ų39.10%021%0.214CC..Hα-helixtrans-59.1-49.3175.5-65.4167.8000109.8L100 D101 E102 H107 F108 F109 L193 L196 A197 Y227L100-I105 HydrophobicContact CB-CD1 4.03Å; L100-I105 HydrophobicContact CB-CG1 3.65Å; L100-I105 HydrophobicContact CD1-CG1 4.34Å; D101-I105 PolarHBondContact O-N 3.1Å; E102-I105 WeakPolarHBondContact O-CB 3.35Å; E102-I105 PolarHBondContact O-N 3.32Å; I105-H107 VanDerWaalsContact C-N 3.34Å; I105-H107 PolarHBondContact O-N 3.21Å; I105-F108 PolarHBondContact O-N 3.32Å; I105-F109 VanDerWaalsContact O-CB 3.3Å; I105-F109 WeakPolarHBondContact O-CB 3.3Å; I105-F109 PolarHBondContact O-N 3Å; I105-L193 HydrophobicContact CG2-CD1 3.5Å; I105-L196 HydrophobicContact CG1-CB 4.26Å; I105-L196 HydrophobicContact CG2-CB 3.93Å; I105-L196 HydrophobicContact CG2-CD1 4.47Å; I105-A197 HydrophobicContact CD1-CB 4.27Å; I105-Y227 HydrophobicContact CD1-CD1 4.36Å; I105-Y227 HydrophobicContact CD1-CE1 3.5Å
106L96.3Very high93.9Very high6 Ų635.4 Ų35.43%0.03120%0.2CC..Hα-helixtrans-66.1-36.4-179.5-68173.4000112E102 T104 F108 F109 V110 L231 I257 P261E102-L106 HydrophobicContact CG-CD1 3.98Å; E102-L106 HydrophobicContact CG-CG 4.36Å; E102-L106 WeakPolarHBondContact O-CB 3.43Å; E102-L106 WeakPolarHBondContact O-CG 3.49Å; E102-L106 PolarHBondContact O-N 3.18Å; T104-L106 VanDerWaalsContact C-N 3.34Å; L106-F108 PolarHBondContact O-N 2.74Å; L106-F109 PolarHBondContact O-N 3.34Å; L106-V110 WeakPolarHBondContact O-CG1 3.42Å; L106-V110 WeakPolarHBondContact O-CG2 3.18Å; L106-V110 PolarHBondContact O-N 3.21Å; L106-L231 HydrophobicContact CD2-CD1 4.28Å; L106-I257 HydrophobicContact CD1-CD1 4.08Å; L106-I257 HydrophobicContact CD1-CG1 3.64Å; L106-I257 HydrophobicContact CD2-CD1 4.03Å; L106-I257 HydrophobicContact CD2-CG1 3.92Å; L106-I257 HydrophobicContact CG-CG1 4.44Å; L106-P261 HydrophobicContact CB-CB 4.18Å; L106-P261 HydrophobicContact CB-CG 3.77Å; L106-P261 HydrophobicContact CD1-CG 4.01Å; L106-P261 HydrophobicContact CG-CG 4.45Å
107H92.8Very high94.4Very high46 Ų4634.4 Ų34.421%0.21318%0.182CC..Hα-helixtrans-60.4-42.6175-176.973.6000112.7D103 T104 I105 Q111 M141D103-H107 VanDerWaalsContact O-CB 3.26Å; D103-H107 WeakPolarHBondContact O-CB 3.13Å; D103-H107 PolarHBondContact O-N 2.94Å; T104-H107 PolarHBondContact O-N 2.97Å; I105-H107 VanDerWaalsContact C-N 3.34Å; I105-H107 PolarHBondContact O-N 3.21Å; H107-Q111 PolarHBondContact CD2-NE2 2.92Å; H107-Q111 PolarHBondContact NE2-NE2 2.89Å; H107-Q111 WeakPolarHBondContact O-CG 3.47Å; H107-Q111 PolarHBondContact O-NE2 2.54Å; H107-M141 PolarHBondContact NE2-O 3.47Å
108F96.1Very high94.8Very high1 Ų130 Ų300%0.00416%0.157CC..Hα-helixtrans-70.1-44.7172.3-69.4-47.7000111.7L88 Y91 T104 I105 L106 V110 Q111 I112 L136 Q140 V143 L196L88-F108 HydrophobicContact CD1-CD2 4.43Å; Y91-F108 HydrophobicContact CD1-CE2 4.31Å; Y91-F108 AromaticContact CE1-CE2 3.73Å; Y91-F108 HydrophobicContact CE1-CE2 3.73Å; Y91-F108 HydrophobicContact CE1-CZ 4.15Å; Y91-F108 HydrophobicContact CE2-CZ 4.48Å; T104-F108 HydrophobicContact CG2-CD2 4.15Å; T104-F108 HydrophobicContact CG2-CE2 3.74Å; T104-F108 WeakPolarHBondContact O-CD2 3.02Å; T104-F108 PolarHBondContact O-N 3.37Å; T104-F108 VanDerWaalsContact O-N 3.13Å; I105-F108 PolarHBondContact O-N 3.32Å; L106-F108 PolarHBondContact O-N 2.74Å; F108-V110 PolarHBondContact O-N 3.25Å; F108-Q111 PolarHBondContact O-N 2.94Å; F108-I112 WeakPolarHBondContact O-CG1 3.27Å; F108-I112 PolarHBondContact O-N 3.27Å; F108-L136 HydrophobicContact CD1-CD2 4.22Å; F108-L136 HydrophobicContact CE1-CD2 3.72Å; F108-L136 HydrophobicContact CZ-CD2 4.41Å; F108-Q140 WeakPolarHBondContact CE1-O 3.47Å; F108-Q140 WeakPolarHBondContact CZ-O 3.49Å; F108-V143 HydrophobicContact CB-CG2 4.25Å; F108-V143 HydrophobicContact CD1-CG2 3.56Å; F108-V143 HydrophobicContact CE1-CG2 4.4Å; F108-V143 HydrophobicContact CG-CG2 4.35Å; F108-L196 HydrophobicContact CB-CD1 4.18Å; F108-L196 HydrophobicContact CD2-CD2 4.26Å
109F97.5Very high94.8Very high1 Ų126.9 Ų26.90%0.00414%0.135CC..Hα-helixtrans-58.8-47.4-176.2178.8-108.5000112.8I105 L106 Q111 I112 L113 L189 L193 L234 M238 I252I105-F109 VanDerWaalsContact O-CB 3.3Å; I105-F109 WeakPolarHBondContact O-CB 3.3Å; I105-F109 PolarHBondContact O-N 3Å; L106-F109 PolarHBondContact O-N 3.34Å; F109-Q111 VanDerWaalsContact C-N 3.31Å; F109-Q111 PolarHBondContact O-N 3.29Å; F109-I112 PolarHBondContact O-N 3.43Å; F109-L113 HydrophobicContact CE1-CD2 4.13Å; F109-L113 HydrophobicContact CZ-CD1 4.44Å; F109-L113 WeakPolarHBondContact O-CB 3.38Å; F109-L113 PolarHBondContact O-N 2.92Å; F109-L189 HydrophobicContact CD2-CD1 4.11Å; F109-L189 HydrophobicContact CE2-CD1 3.77Å; F109-L189 HydrophobicContact CE2-CD2 4.02Å; F109-L189 HydrophobicContact CE2-CG 3.78Å; F109-L189 HydrophobicContact CZ-CD2 4.32Å; F109-L193 HydrophobicContact CB-CD1 4Å; F109-L193 HydrophobicContact CD2-CB 4.06Å; F109-L193 HydrophobicContact CD2-CD1 3.69Å; F109-L193 HydrophobicContact CD2-CD2 3.95Å; F109-L193 HydrophobicContact CD2-CG 4.1Å; F109-L193 HydrophobicContact CE2-CB 4.14Å; F109-L193 HydrophobicContact CE2-CD1 4.34Å; F109-L193 HydrophobicContact CE2-CD2 3.76Å; F109-L193 HydrophobicContact CE2-CG 4.29Å; F109-L193 HydrophobicContact CG-CD1 3.9Å; F109-L193 HydrophobicContact CG-CD2 4.42Å; F109-L193 HydrophobicContact CZ-CD2 4.08Å; F109-L234 HydrophobicContact CE1-CD2 3.86Å; F109-L234 HydrophobicContact CZ-CD2 4.12Å; F109-M238 HydrophobicContact CE2-CE 3.77Å; F109-M238 HydrophobicContact CE2-SD 4.16Å; F109-M238 HydrophobicContact CZ-CE 3.88Å; F109-M238 HydrophobicContact CZ-SD 4.08Å; F109-I252 HydrophobicContact CE1-CG2 3.88Å; F109-I252 HydrophobicContact CZ-CG2 3.88Å
110V95.4Very high94.6Very high0 Ų025 Ų250%012%0.124CC..Hα-helixtrans-67.7-30-177.1-66.30000113L106 F108 L113 L114 C258 P261 L262 L265L106-V110 WeakPolarHBondContact O-CG1 3.42Å; L106-V110 WeakPolarHBondContact O-CG2 3.18Å; L106-V110 PolarHBondContact O-N 3.21Å; F108-V110 PolarHBondContact O-N 3.25Å; V110-L113 WeakPolarHBondContact O-CB 3.2Å; V110-L113 PolarHBondContact O-N 3.25Å; V110-L114 VanDerWaalsContact O-CG 3.28Å; V110-L114 WeakPolarHBondContact O-CG 3.44Å; V110-L114 PolarHBondContact O-N 3.02Å; V110-C258 HydrophobicContact CG1-CB 4.48Å; V110-P261 HydrophobicContact CG1-CB 3.96Å; V110-P261 HydrophobicContact CG2-CB 4.07Å; V110-L262 HydrophobicContact CB-CD2 3.81Å; V110-L262 HydrophobicContact CB-CG 4.08Å; V110-L262 HydrophobicContact CG1-CD2 4.17Å; V110-L262 HydrophobicContact CG1-CG 3.91Å; V110-L265 HydrophobicContact CG2-CD1 4.26Å
111Q95.6Very high94.4Very high1 Ų129.5 Ų29.51%0.00515%0.148CC..Hα-helixtrans-68.2-42.2172.8-69.7-179.772.400112.1N62 H107 F108 F109 L113 A115 M141 V143 L265N62-Q111 PolarHBondContact ND2-OE1 3.01Å; H107-Q111 PolarHBondContact CD2-NE2 2.92Å; H107-Q111 PolarHBondContact NE2-NE2 2.89Å; H107-Q111 WeakPolarHBondContact O-CG 3.47Å; H107-Q111 PolarHBondContact O-NE2 2.54Å; F108-Q111 PolarHBondContact O-N 2.94Å; F109-Q111 VanDerWaalsContact C-N 3.31Å; F109-Q111 PolarHBondContact O-N 3.29Å; Q111-L113 VanDerWaalsContact C-N 3.31Å; Q111-A115 PolarHBondContact O-N 2.92Å; Q111-A115 VanDerWaalsContact O-N 3.1Å; Q111-M141 PolarHBondContact NE2-O 3.25Å; Q111-V143 HydrophobicContact CB-CB 3.88Å; Q111-V143 HydrophobicContact CB-CG2 3.97Å; Q111-L265 HydrophobicContact CG-CD1 3.32Å
112I96.9Very high94Very high0 Ų029.6 Ų29.60%015%0.145CC..Hα-helixtrans-63-42.7174.4-61.1162.1000109.7L88 F108 F109 A115 L116 I134 V143 I145 L189 V192L88-I112 HydrophobicContact CD2-CD1 4.31Å; F108-I112 WeakPolarHBondContact O-CG1 3.27Å; F108-I112 PolarHBondContact O-N 3.27Å; F109-I112 PolarHBondContact O-N 3.43Å; I112-A115 PolarHBondContact O-N 3.44Å; I112-L116 WeakPolarHBondContact O-CB 3.38Å; I112-L116 PolarHBondContact O-N 3.29Å; I112-I134 HydrophobicContact CD1-CD1 4.01Å; I112-I134 HydrophobicContact CD1-CG2 4.43Å; I112-I134 HydrophobicContact CG1-CD1 4.42Å; I112-I134 HydrophobicContact CG1-CG2 4.43Å; I112-V143 HydrophobicContact CG1-CG1 3.74Å; I112-V143 HydrophobicContact CG1-CG2 4.45Å; I112-I145 HydrophobicContact CG2-CD1 3.91Å; I112-L189 HydrophobicContact CB-CD1 4.35Å; I112-L189 HydrophobicContact CG2-CD1 3.56Å; I112-V192 HydrophobicContact CD1-CG1 4.02Å
113L95.9Very high93.5Very high0 Ų034.8 Ų34.80%017%0.173CC..Hα-helixtrans-60.9-46179.7-17268.8000112F109 V110 Q111 L116 Y117 L189 L249 I252 M253F109-L113 HydrophobicContact CE1-CD2 4.13Å; F109-L113 HydrophobicContact CZ-CD1 4.44Å; F109-L113 WeakPolarHBondContact O-CB 3.38Å; F109-L113 PolarHBondContact O-N 2.92Å; V110-L113 WeakPolarHBondContact O-CB 3.2Å; V110-L113 PolarHBondContact O-N 3.25Å; Q111-L113 VanDerWaalsContact C-N 3.31Å; L113-L116 PolarHBondContact O-N 2.85Å; L113-Y117 WeakPolarHBondContact O-CB 3.36Å; L113-Y117 PolarHBondContact O-N 3.42Å; L113-L189 HydrophobicContact CD1-CD2 3.88Å; L113-L249 HydrophobicContact CD1-CD2 3.52Å; L113-I252 HydrophobicContact CD1-CB 4.16Å; L113-I252 HydrophobicContact CD1-CD1 4.35Å; L113-I252 HydrophobicContact CD1-CG2 3.86Å; L113-I252 HydrophobicContact CD2-CB 4.44Å; L113-I252 HydrophobicContact CD2-CG2 3.78Å; L113-M253 HydrophobicContact CD2-CB 4.35Å; L113-M253 HydrophobicContact CD2-CG 3.36Å; L113-M253 HydrophobicContact CG-CG 3.78Å
114L94.7Very high93.1Very high12 Ų1229.7 Ų29.76%0.06315%0.146CC..Hα-helixtrans-64.8-43.2177.2-73.1171.6000112.4V110 Y117 H118 M253 L262 L265 Y266V110-L114 VanDerWaalsContact O-CG 3.28Å; V110-L114 WeakPolarHBondContact O-CG 3.44Å; V110-L114 PolarHBondContact O-N 3.02Å; L114-Y117 PolarHBondContact O-N 3.27Å; L114-H118 PolarHBondContact O-N 3.49Å; L114-M253 HydrophobicContact CD2-SD 4.06Å; L114-L262 HydrophobicContact CD1-CD2 3.91Å; L114-L262 HydrophobicContact CD2-CD2 3.99Å; L114-L262 HydrophobicContact CG-CD2 3.88Å; L114-L265 HydrophobicContact CD1-CD2 3.78Å; L114-Y266 HydrophobicContact CD1-CE2 4.08Å; L114-Y266 HydrophobicContact CD2-CE2 4.43Å; L114-Y266 WeakPolarHBondContact CD2-OH 3.4Å
115A93.9Very high92.7Very high0 Ų028.9 Ų28.90%014%0.139CC..Hα-helixtrans-60.8-46.617500000111.7N62 I63 Q111 I112 Y117 H118 V119 I145N62-A115 HydrophobicContact CB-CB 3.92Å; I63-A115 HydrophobicContact CD1-CB 4.46Å; I63-A115 HydrophobicContact CG1-CB 3.9Å; Q111-A115 PolarHBondContact O-N 2.92Å; Q111-A115 VanDerWaalsContact O-N 3.1Å; I112-A115 PolarHBondContact O-N 3.44Å; A115-Y117 VanDerWaalsContact C-N 3.32Å; A115-Y117 PolarHBondContact O-N 3.45Å; A115-H118 WeakPolarHBondContact O-CB 3.18Å; A115-H118 PolarHBondContact O-N 3.42Å; A115-V119 VanDerWaalsContact O-CG2 3.25Å; A115-V119 WeakPolarHBondContact O-CG2 3.48Å; A115-V119 PolarHBondContact O-N 2.85Å; A115-V119 VanDerWaalsContact O-N 3.09Å; A115-I145 HydrophobicContact CB-CD1 3.47Å; A115-I145 VanDerWaalsContact CB-CD1 3.47Å; A115-I145 HydrophobicContact CB-CG1 3.97Å
116L94.9Very high92.2Very high0 Ų028.9 Ų28.90%014%0.139CC..Hα-helixtrans-66.9-35.3179.9-163.261000111.9I112 L113 V119 H120 H126 L129 D185 L189 L249I112-L116 WeakPolarHBondContact O-CB 3.38Å; I112-L116 PolarHBondContact O-N 3.29Å; L113-L116 PolarHBondContact O-N 2.85Å; L116-V119 PolarHBondContact O-N 3.42Å; L116-H120 PolarHBondContact O-N 3.11Å; L116-H126 HydrophobicContact CD1-CB 3.97Å; L116-L129 HydrophobicContact CD2-CD2 4.01Å; L116-D185 HydrophobicContact CD1-CB 4.41Å; L116-D185 HydrophobicContact CD2-CB 4.29Å; L116-L189 HydrophobicContact CD2-CB 4.42Å; L116-L189 HydrophobicContact CD2-CD2 4.17Å; L116-L249 HydrophobicContact CB-CD1 4.35Å; L116-L249 HydrophobicContact CD2-CD2 4.14Å; L116-L249 HydrophobicContact CG-CD1 4.17Å; L116-L249 HydrophobicContact CG-CD2 4.48Å
117Y94.8Very high91.6Very high88 Ų8833.3 Ų33.335%0.34516%0.155SC..Hα-helixtrans-62.5-44.2173.4-179.6-108.7000112.1L113 L114 A115 V119 H120 N121 L249 M253L113-Y117 WeakPolarHBondContact O-CB 3.36Å; L113-Y117 PolarHBondContact O-N 3.42Å; L114-Y117 PolarHBondContact O-N 3.27Å; A115-Y117 VanDerWaalsContact C-N 3.32Å; A115-Y117 PolarHBondContact O-N 3.45Å; Y117-V119 VanDerWaalsContact C-N 3.29Å; Y117-V119 PolarHBondContact O-N 2.96Å; Y117-H120 PolarHBondContact O-N 3.49Å; Y117-N121 WeakPolarHBondContact CE1-ND2 3.49Å; Y117-N121 WeakPolarHBondContact O-CB 3.33Å; Y117-N121 PolarHBondContact O-N 2.85Å; Y117-N121 PolarHBondContact OH-ND2 3.48Å; Y117-L249 HydrophobicContact CD2-CB 4.04Å; Y117-L249 HydrophobicContact CD2-CD1 4.46Å; Y117-M253 HydrophobicContact CD1-CE 3.9Å; Y117-M253 HydrophobicContact CD2-CE 3.34Å; Y117-M253 HydrophobicContact CE1-CE 4.17Å; Y117-M253 HydrophobicContact CE2-CE 3.66Å; Y117-M253 HydrophobicContact CG-CE 3.47Å; Y117-M253 VanDerWaalsContact CG-CE 3.47Å; Y117-M253 HydrophobicContact CG-SD 4.33Å
118H91.8Very high91.2Very high43 Ų4332.4 Ų32.420%0.19915%0.152CC..Hα-helixtrans-58.9-41.6174.2-179.287.3000112.2N59 H60 L114 A115 K122N59-H118 PolarHBondContact N-NE2 2.91Å; N59-H118 PolarHBondContact O-CE1 2.9Å; N59-H118 VanDerWaalsContact O-CE1 3.23Å; N59-H118 PolarHBondContact O-NE2 2.81Å; H60-H118 AromaticContact CD2-CG 3.9Å; L114-H118 PolarHBondContact O-N 3.49Å; A115-H118 WeakPolarHBondContact O-CB 3.18Å; A115-H118 PolarHBondContact O-N 3.42Å; H118-K122 VanDerWaalsContact CE1-CE 3.49Å; H118-K122 WeakPolarHBondContact CE1-CE 3.17Å; H118-K122 WeakPolarHBondContact NE2-CE 3.38Å
119V90.9Very high91Very high2 Ų232.5 Ų32.51%0.01215%0.153CC..Hα-helixtrans-65.8-49.6178.5173.20000111.1L58 I63 A115 L116 Y117 N121 K122 I124 F148L58-V119 HydrophobicContact CD2-CG2 4.1Å; I63-V119 HydrophobicContact CD1-CG2 3.67Å; A115-V119 VanDerWaalsContact O-CG2 3.25Å; A115-V119 WeakPolarHBondContact O-CG2 3.48Å; A115-V119 PolarHBondContact O-N 2.85Å; A115-V119 VanDerWaalsContact O-N 3.09Å; L116-V119 PolarHBondContact O-N 3.42Å; Y117-V119 VanDerWaalsContact C-N 3.29Å; Y117-V119 PolarHBondContact O-N 2.96Å; V119-N121 VanDerWaalsContact C-N 3.35Å; V119-N121 PolarHBondContact O-N 3.26Å; V119-K122 PolarHBondContact O-N 3.36Å; V119-K122 VanDerWaalsContact O-N 3.14Å; V119-I124 HydrophobicContact CG1-CB 3.79Å; V119-I124 HydrophobicContact CG1-CG2 3.71Å; V119-I124 PolarHBondContact O-N 3.04Å; V119-F148 HydrophobicContact CB-CE1 4.39Å; V119-F148 HydrophobicContact CG1-CD1 4.49Å; V119-F148 HydrophobicContact CG1-CE1 3.88Å; V119-F148 HydrophobicContact CG2-CE1 3.52Å; V119-F148 HydrophobicContact CG2-CZ 3.85Å
120H89.9Confident90.6Very high11 Ų1133.9 Ų33.95%0.05116%0.159CC..Hα-helixtrans-66.7-32.9-178.4-75.8-166.4000113L116 Y117 K122 L123 I124 D185 L249L116-H120 PolarHBondContact O-N 3.11Å; Y117-H120 PolarHBondContact O-N 3.49Å; H120-K122 PolarHBondContact O-N 2.89Å; H120-L123 WeakPolarHBondContact O-CA 3.03Å; H120-L123 PolarHBondContact O-N 2.77Å; H120-I124 PolarHBondContact CD2-O 2.86Å; H120-I124 VanDerWaalsContact CD2-O 3.26Å; H120-D185 IonicContact CD2-OD2 2.84Å; H120-D185 IonicContact CE1-OD2 3.66Å; H120-D185 IonicContact NE2-OD2 3.98Å; H120-D185 PolarHBondContact NE2-OD2 3.17Å; H120-L249 HydrophobicContact CB-CD1 4.1Å; H120-L249 WeakPolarHBondContact ND1-CD1 3.48Å
121N90.6Very high90.5Very high97 Ų9734 Ų3452%0.51916%0.159SC..Hα-helixtrans-64.2-22.1174.4-82.7-9.6000113.6Y117 V119 L123Y117-N121 WeakPolarHBondContact CE1-ND2 3.49Å; Y117-N121 WeakPolarHBondContact O-CB 3.33Å; Y117-N121 PolarHBondContact O-N 2.85Å; Y117-N121 PolarHBondContact OH-ND2 3.48Å; V119-N121 VanDerWaalsContact C-N 3.35Å; V119-N121 PolarHBondContact O-N 3.26Å; N121-L123 VanDerWaalsContact C-N 3.28Å
122K87.1Confident90.2Very high94 Ų9436.9 Ų36.941%0.40917%0.173SC..THydrogen-bonded Turntrans-91.211.4172.8-70.7169.9178.8-82.60112.5L57 L58 H118 V119 H120 I124L57-K122 WeakPolarHBondContact O-CE 3.42Å; L57-K122 PolarHBondContact O-NZ 3Å; L58-K122 HydrophobicContact CD2-CD 3.88Å; H118-K122 VanDerWaalsContact CE1-CE 3.49Å; H118-K122 WeakPolarHBondContact CE1-CE 3.17Å; H118-K122 WeakPolarHBondContact NE2-CE 3.38Å; V119-K122 PolarHBondContact O-N 3.36Å; V119-K122 VanDerWaalsContact O-N 3.14Å; H120-K122 PolarHBondContact O-N 2.89Å; K122-I124 HydrophobicContact CB-CD1 3.77Å; K122-I124 HydrophobicContact CB-CG1 4.25Å; K122-I124 PolarHBondContact O-N 3.17Å
123L85.1Confident89.9Confident154 Ų15437.7 Ų37.781%0.80618%0.177SC*.THydrogen-bonded Turntrans59.927-176.2-53.2176.4000113.5H120 N121H120-L123 WeakPolarHBondContact O-CA 3.03Å; H120-L123 PolarHBondContact O-N 2.77Å; N121-L123 VanDerWaalsContact C-N 3.28Å
124I84.8Confident89.8Confident20 Ų2037.7 Ų37.710%0.10318%0.177CC..  trans-98.1144.5176.8-61.9158.4000108.8V54 L58 V119 H120 K122V54-I124 HydrophobicContact CG1-CD1 3.74Å; V54-I124 HydrophobicContact CG1-CG1 4.16Å; V54-I124 HydrophobicContact CG1-CG2 4.03Å; L58-I124 HydrophobicContact CD2-CD1 3.84Å; L58-I124 HydrophobicContact CG-CD1 4.42Å; V119-I124 HydrophobicContact CG1-CB 3.79Å; V119-I124 HydrophobicContact CG1-CG2 3.71Å; V119-I124 PolarHBondContact O-N 3.04Å; H120-I124 PolarHBondContact CD2-O 2.86Å; H120-I124 VanDerWaalsContact CD2-O 3.26Å; K122-I124 HydrophobicContact CB-CD1 3.77Å; K122-I124 HydrophobicContact CB-CG1 4.25Å; K122-I124 PolarHBondContact O-N 3.17Å
125L85.6Confident89.8Confident31 Ų3139.3 Ų39.316%0.16219%0.186CC..  trans-108.9139.7172-59.7176.7000109R127 Y180 Q182L125-R127 HydrophobicContact CB-CG 3.89Å; L125-Y180 HydrophobicContact CB-CD1 4.49Å; L125-Y180 HydrophobicContact CB-CE1 4.43Å; L125-Y180 HydrophobicContact CD1-CD1 4.08Å; L125-Q182 HydrophobicContact CD2-CB 4.2Å; L125-Q182 HydrophobicContact CD2-CG 3.49Å; L125-Q182 VanDerWaalsContact CD2-CG 3.49Å
126H86.6Confident89.8Confident0 Ų039.3 Ų39.30%019%0.186CC..  trans-75.1-45.9-177.8-171.4-77.3000112.2L116 D128 L129 I145 G146 F148 G149 D185L116-H126 HydrophobicContact CD1-CB 3.97Å; H126-D128 VanDerWaalsContact CE1-C 3.44Å; H126-D128 PolarHBondContact CE1-O 2.6Å; H126-D128 PolarHBondContact ND1-N 2.86Å; H126-D128 PolarHBondContact O-N 3.35Å; H126-L129 WeakPolarHBondContact ND1-CA 3.31Å; H126-L129 PolarHBondContact ND1-N 3.22Å; H126-I145 WeakPolarHBondContact NE2-CG2 3.32Å; H126-G146 PolarHBondContact NE2-O 2.95Å; H126-F148 AromaticContact CD2-CD1 3.57Å; H126-F148 AromaticContact CD2-CE1 3.52Å; H126-G149 PolarHBondContact O-N 3.27Å; H126-D185 PolarHBondContact N-OD2 3.23Å
127R84.1Confident89.7Confident98 Ų9840.7 Ų40.737%0.3719%0.193SC..SBendtrans65.3-13.2174-53.5-179.9-178.9-134.13.2117.7L125 Y180 D185L125-R127 HydrophobicContact CB-CG 3.89Å; R127-Y180 HydrophobicContact CB-CE1 4.31Å; R127-Y180 HydrophobicContact CG-CD1 3.87Å; R127-Y180 HydrophobicContact CG-CE1 3.82Å; R127-D185 PolarHBondContact N-OD1 3.29Å; R127-D185 VanDerWaalsContact N-OD1 3.08Å
128D83.8Confident89.4Confident28 Ų2843.5 Ų43.515%0.1521%0.207CC..  trans-135.740.2175.1-161.835.4000112H126 K130 N133 K152H126-D128 VanDerWaalsContact CE1-C 3.44Å; H126-D128 PolarHBondContact CE1-O 2.6Å; H126-D128 PolarHBondContact ND1-N 2.86Å; H126-D128 PolarHBondContact O-N 3.35Å; D128-K130 VanDerWaalsContact CG-NZ 3.26Å; D128-K130 PolarHBondContact O-N 3.46Å; D128-K130 IonicContact OD1-NZ 2.79Å; D128-K130 PolarHBondContact OD1-NZ 3.08Å; D128-K130 IonicContact OD2-NZ 2.89Å; D128-K130 PolarHBondContact OD2-NZ 3.21Å; D128-N133 PolarHBondContact O-ND2 3.34Å; D128-N133 PolarHBondContact OD2-ND2 3.49Å; D128-K152 IonicContact OD1-NZ 2.76Å; D128-K152 PolarHBondContact OD1-NZ 2.91Å; D128-K152 WeakPolarHBondContact OD2-CE 3.15Å; D128-K152 IonicContact OD2-NZ 3.19Å; D128-K152 PolarHBondContact OD2-NZ 3.46Å
129L90.6Very high89.3Confident3 Ų347.5 Ų47.52%0.01623%0.226CC..  trans-75.6116.5-178.1-173.369.5000109.5L116 H126 I134 I145 A188 L189L116-L129 HydrophobicContact CD2-CD2 4.01Å; H126-L129 WeakPolarHBondContact ND1-CA 3.31Å; H126-L129 PolarHBondContact ND1-N 3.22Å; L129-I134 HydrophobicContact CD1-CD1 4.17Å; L129-I134 HydrophobicContact CD1-CG1 4.38Å; L129-I145 HydrophobicContact CD1-CD1 4.3Å; L129-A188 HydrophobicContact CB-CB 3.99Å; L129-A188 HydrophobicContact CD2-CB 4.32Å; L129-L189 HydrophobicContact CD2-CB 3.98Å
130K90.5Very high89.3Confident30 Ų3050.2 Ų50.213%0.1324%0.238CC..SBendtrans-161.1160.1-178.361.7-168.7-177.5-146.90111.2D128 Q132 N133 I134 Y169D128-K130 VanDerWaalsContact CG-NZ 3.26Å; D128-K130 PolarHBondContact O-N 3.46Å; D128-K130 IonicContact OD1-NZ 2.79Å; D128-K130 PolarHBondContact OD1-NZ 3.08Å; D128-K130 IonicContact OD2-NZ 2.89Å; D128-K130 PolarHBondContact OD2-NZ 3.21Å; K130-Q132 HydrophobicContact CG-CB 4.32Å; K130-Q132 PolarHBondContact O-N 3.06Å; K130-Q132 VanDerWaalsContact O-N 3.1Å; K130-N133 VanDerWaalsContact CE-CG 3.42Å; K130-N133 WeakPolarHBondContact CE-ND2 3.46Å; K130-N133 WeakPolarHBondContact CE-OD1 3.21Å; K130-N133 HydrophobicContact CG-CB 4.08Å; K130-N133 PolarHBondContact O-N 3.06Å; K130-I134 WeakPolarHBondContact O-CG1 3.37Å; K130-I134 PolarHBondContact O-N 3.03Å; K130-Y169 HydrophobicContact CB-CD1 4.16Å; K130-Y169 HydrophobicContact CB-CD2 3.56Å; K130-Y169 HydrophobicContact CB-CE1 4.02Å; K130-Y169 HydrophobicContact CB-CE2 3.35Å; K130-Y169 HydrophobicContact CB-CG 3.96Å
131T93Very high89.1Confident1 Ų154.4 Ų54.41%0.00626%0.259CS..THydrogen-bonded Turntrans-61.5-22.6-177.655.70000113.6L88 A89 I92 Y169 V192 E195L88-T131 HydrophobicContact CD2-CG2 4.37Å; L88-T131 PolarHBondContact N-O 3.11Å; A89-T131 PolarHBondContact N-O 3.02Å; I92-T131 HydrophobicContact CD1-CG2 4Å; T131-Y169 PolarHBondContact N-OH 3.35Å; T131-Y169 PolarHBondContact OG1-OH 3.04Å; T131-V192 HydrophobicContact CG2-CG1 4.2Å; T131-V192 HydrophobicContact CG2-CG2 4.25Å; T131-E195 HydrophobicContact CG2-CB 4.35Å; T131-E195 PolarHBondContact OG1-OE2 3.42Å
132Q89.7Confident89.1Confident63 Ų6353 Ų5329%0.29425%0.251SS..THydrogen-bonded Turntrans-76.3-23.4174.9-58.18120.300113.8T87 A89 K130T87-Q132 VanDerWaalsContact CG2-O 3.27Å; T87-Q132 WeakPolarHBondContact CG2-O 3.18Å; A89-Q132 HydrophobicContact CB-CG 3.94Å; K130-Q132 HydrophobicContact CG-CB 4.32Å; K130-Q132 PolarHBondContact O-N 3.06Å; K130-Q132 VanDerWaalsContact O-N 3.1Å
133N90Very high89.4Confident17 Ų1748.6 Ų48.69%0.09123%0.232CC..THydrogen-bonded Turntrans-99.51.5179-71.47.7000112.6D128 K130 G146 D147D128-N133 PolarHBondContact O-ND2 3.34Å; D128-N133 PolarHBondContact OD2-ND2 3.49Å; K130-N133 VanDerWaalsContact CE-CG 3.42Å; K130-N133 WeakPolarHBondContact CE-ND2 3.46Å; K130-N133 WeakPolarHBondContact CE-OD1 3.21Å; K130-N133 HydrophobicContact CG-CB 4.08Å; K130-N133 PolarHBondContact O-N 3.06Å; N133-G146 PolarHBondContact O-N 3.24Å; N133-D147 HydrophobicContact CB-CB 4.46Å; N133-D147 PolarHBondContact ND2-O 2.99Å
134I94.3Very high89.8Confident0 Ų042.4 Ų42.40%020%0.198CC..EExtended strand (participates in β ladder)trans-102.5115.4175.7-62.1168.1000106.9T87 L88 I112 L129 K130 V143 V192T87-I134 CarbonylContact C-O 3.16Å; T87-I134 WeakPolarHBondContact CA-O 3.44Å; L88-I134 HydrophobicContact CB-CB 4.07Å; L88-I134 HydrophobicContact CB-CG2 4.06Å; L88-I134 WeakPolarHBondContact CB-O 3.4Å; L88-I134 HydrophobicContact CD2-CB 4.27Å; L88-I134 HydrophobicContact CD2-CD1 4.31Å; L88-I134 HydrophobicContact CD2-CG2 3.9Å; L88-I134 PolarHBondContact N-O 2.91Å; I112-I134 HydrophobicContact CD1-CD1 4.01Å; I112-I134 HydrophobicContact CD1-CG2 4.43Å; I112-I134 HydrophobicContact CG1-CD1 4.42Å; I112-I134 HydrophobicContact CG1-CG2 4.43Å; L129-I134 HydrophobicContact CD1-CD1 4.17Å; L129-I134 HydrophobicContact CD1-CG1 4.38Å; K130-I134 WeakPolarHBondContact O-CG1 3.37Å; K130-I134 PolarHBondContact O-N 3.03Å; I134-V143 HydrophobicContact CG2-CG1 3.32Å; I134-V192 HydrophobicContact CD1-CG1 3.93Å; I134-V192 HydrophobicContact CD1-CG2 4.06Å
135L94.6Very high90.2Very high46 Ų4641.6 Ų41.624%0.24119%0.194CC..EExtended strand (participates in β ladder)trans-103162.4-176.1-63.3165.4000111.1I64 A83 G86 T87 K144I64-L135 HydrophobicContact CD1-CD1 3.74Å; I64-L135 HydrophobicContact CG1-CD1 4.03Å; A83-L135 HydrophobicContact CB-CB 3.68Å; A83-L135 HydrophobicContact CB-CD1 4.16Å; A83-L135 HydrophobicContact CB-CG 4.45Å; G86-L135 WeakPolarHBondContact O-CA 3.49Å; T87-L135 HydrophobicContact CG2-CD2 3.75Å; L135-K144 HydrophobicContact CB-CB 4.24Å; L135-K144 PolarHBondContact N-O 3.29Å; L135-K144 PolarHBondContact O-N 2.95Å
136L94.2Very high90.1Very high0 Ų040.5 Ų40.50%019%0.19CC..EExtended strand (participates in β ladder)trans-121.5148.7179.7-64.7176.5000111.4A83 G85 G86 L88 Y91 F108 Q140 I142 V143A83-L136 CarbonylContact C-O 3.5Å; A83-L136 WeakPolarHBondContact CB-O 3.35Å; G85-L136 WeakPolarHBondContact CA-O 3.08Å; G85-L136 PolarHBondContact N-O 3.36Å; G86-L136 PolarHBondContact O-N 3.03Å; L88-L136 HydrophobicContact CD1-CD1 4.32Å; L88-L136 HydrophobicContact CD1-CD2 4.41Å; Y91-L136 HydrophobicContact CD2-CD1 3.82Å; Y91-L136 HydrophobicContact CG-CD1 3.9Å; F108-L136 HydrophobicContact CD1-CD2 4.22Å; F108-L136 HydrophobicContact CE1-CD2 3.72Å; F108-L136 HydrophobicContact CZ-CD2 4.41Å; L136-Q140 HydrophobicContact CB-CG 4.44Å; L136-Q140 HydrophobicContact CD1-CB 4.14Å; L136-Q140 HydrophobicContact CD1-CG 4.24Å; L136-I142 WeakPolarHBondContact CA-O 3.42Å; L136-V143 HydrophobicContact CD2-CG2 4.24Å
137D91.1Very high89.6Confident28 Ų2844 Ų4415%0.1521%0.209CC..  trans-70.9176.1171.484.2-51.6000112.3G85 H139 Q140 M141 I142G85-D137 WeakPolarHBondContact CA-O 3.41Å; G85-D137 PolarHBondContact N-O 2.97Å; D137-H139 PolarHBondContact O-N 3.3Å; D137-H139 VanDerWaalsContact O-N 3.07Å; D137-H139 IonicContact OD2-CD2 2.81Å; D137-H139 PolarHBondContact OD2-N 3.25Å; D137-Q140 PolarHBondContact O-N 3.49Å; D137-Q140 PolarHBondContact OD1-N 2.85Å; D137-Q140 VanDerWaalsContact OD1-N 3.1Å; D137-M141 PolarHBondContact OD1-N 3.07Å; D137-I142 HydrophobicContact CB-CB 3.98Å; D137-I142 PolarHBondContact N-O 3.48Å; D137-I142 PolarHBondContact OD1-N 3.38Å
138K89.4Confident89.1Confident147 Ų14739.6 Ų39.664%0.63919%0.193SC*.THydrogen-bonded Turntrans-55.4-30.3-177.761.3176.6174.81740114P84P84-K138 HydrophobicContact CG-CB 3.67Å
139H89.6Confident87.9Confident127 Ų12738.4 Ų38.459%0.58819%0.187SC*.THydrogen-bonded Turntrans-95.2-1.6-177.7-60.9-51000112.9D137 M141D137-H139 PolarHBondContact O-N 3.3Å; D137-H139 VanDerWaalsContact O-N 3.07Å; D137-H139 IonicContact OD2-CD2 2.81Å; D137-H139 PolarHBondContact OD2-N 3.25Å; H139-M141 HydrophobicContact CB-CG 4.28Å; H139-M141 PolarHBondContact O-N 3.43Å
140Q89.9Confident86.3Confident59 Ų5939.1 Ų39.128%0.27619%0.191SC..SBendtrans57.733.6-176.4-58.1-174.8-33.600113.9G85 Y91 F108 L136 D137G85-Q140 PolarHBondContact O-NE2 3.23Å; G85-Q140 VanDerWaalsContact O-NE2 3.11Å; Y91-Q140 HydrophobicContact CD2-CB 4.27Å; Y91-Q140 HydrophobicContact CD2-CG 4.44Å; Y91-Q140 HydrophobicContact CE2-CB 4.11Å; F108-Q140 WeakPolarHBondContact CE1-O 3.47Å; F108-Q140 WeakPolarHBondContact CZ-O 3.49Å; L136-Q140 HydrophobicContact CB-CG 4.44Å; L136-Q140 HydrophobicContact CD1-CB 4.14Å; L136-Q140 HydrophobicContact CD1-CG 4.24Å; D137-Q140 PolarHBondContact O-N 3.49Å; D137-Q140 PolarHBondContact OD1-N 2.85Å; D137-Q140 VanDerWaalsContact OD1-N 3.1Å
141M86.2Confident84.2Confident100 Ų10038.6 Ų38.649%0.49319%0.191SC..  trans-114.8-27.2-179.1-67.6-56.1-62.700112.9H107 Q111 D137 H139H107-M141 PolarHBondContact NE2-O 3.47Å; Q111-M141 PolarHBondContact NE2-O 3.25Å; D137-M141 PolarHBondContact OD1-N 3.07Å; H139-M141 HydrophobicContact CB-CG 4.28Å; H139-M141 PolarHBondContact O-N 3.43Å
142I90.1Very high82Confident68 Ų6842.4 Ų42.435%0.34921%0.207SC..SBendtrans-107.8127-178.5-56.3-60.6000110L136 D137L136-I142 WeakPolarHBondContact CA-O 3.42Å; D137-I142 HydrophobicContact CB-CB 3.98Å; D137-I142 PolarHBondContact N-O 3.48Å; D137-I142 PolarHBondContact OD1-N 3.38Å
143V94.3Very high79.7Confident0 Ų044 Ų440%022%0.217CC..EExtended strand (participates in β ladder)trans-85.1138.4176.3-179.50000110.5N62 F108 Q111 I112 I134 L136N62-V143 WeakPolarHBondContact CA-O 3.45Å; N62-V143 WeakPolarHBondContact CB-O 3.43Å; N62-V143 PolarHBondContact ND2-O 3.28Å; F108-V143 HydrophobicContact CB-CG2 4.25Å; F108-V143 HydrophobicContact CD1-CG2 3.56Å; F108-V143 HydrophobicContact CE1-CG2 4.4Å; F108-V143 HydrophobicContact CG-CG2 4.35Å; Q111-V143 HydrophobicContact CB-CB 3.88Å; Q111-V143 HydrophobicContact CB-CG2 3.97Å; I112-V143 HydrophobicContact CG1-CG1 3.74Å; I112-V143 HydrophobicContact CG1-CG2 4.45Å; I134-V143 HydrophobicContact CG2-CG1 3.32Å; L136-V143 HydrophobicContact CD2-CG2 4.24Å
144K93.4Very high77Confident25 Ų2546 Ų4611%0.10923%0.227CC..EExtended strand (participates in β ladder)trans-128.8107.8174.5-66.5-72.4-170.7159.70110P61 I64 E81 L135P61-K144 VanDerWaalsContact O-CD 3.32Å; P61-K144 WeakPolarHBondContact O-CD 3.27Å; P61-K144 WeakPolarHBondContact O-CE 3.06Å; P61-K144 PolarHBondContact O-NZ 3.12Å; I64-K144 HydrophobicContact CD1-CB 3.6Å; I64-K144 HydrophobicContact CD1-CG 4.26Å; I64-K144 HydrophobicContact CG1-CB 4.05Å; E81-K144 WeakPolarHBondContact OE1-CE 3.39Å; E81-K144 IonicContact OE1-NZ 2.61Å; E81-K144 PolarHBondContact OE1-NZ 3.34Å; E81-K144 WeakPolarHBondContact OE2-CE 3.26Å; E81-K144 IonicContact OE2-NZ 3.74Å; E81-K144 PolarHBondContact OE2-NZ 3.36Å; L135-K144 HydrophobicContact CB-CB 4.24Å; L135-K144 PolarHBondContact N-O 3.29Å; L135-K144 PolarHBondContact O-N 2.95Å
145I92.6Very high74.1Confident3 Ų349.1 Ų49.12%0.01525%0.246CC..EExtended strand (participates in β ladder)trans-76127.9174.6-58.9-170.2000109.5N62 I63 I64 I112 A115 H126 L129 F148N62-I145 PolarHBondContact O-N 2.59Å; I63-I145 WeakPolarHBondContact CA-O 3.47Å; I64-I145 PolarHBondContact N-O 2.82Å; I112-I145 HydrophobicContact CG2-CD1 3.91Å; A115-I145 HydrophobicContact CB-CD1 3.47Å; A115-I145 VanDerWaalsContact CB-CD1 3.47Å; A115-I145 HydrophobicContact CB-CG1 3.97Å; H126-I145 WeakPolarHBondContact NE2-CG2 3.32Å; L129-I145 HydrophobicContact CD1-CD1 4.3Å; I145-F148 HydrophobicContact CG2-CZ 4.43Å
146G85.1Confident71.1Confident8 Ų851.4 Ų51.48%0.08227%0.266CS..  trans-128.8-179.4175.800000113.1H126 N133H126-G146 PolarHBondContact NE2-O 2.95Å; N133-G146 PolarHBondContact O-N 3.24Å
147D76.2Confident68.1Low73 Ų7360.5 Ų60.539%0.3931%0.305SS..  trans47.969.2175.9-85.5-28.1000114.4K33 N133 G149K33-D147 IonicContact NZ-OD1 3.74Å; K33-D147 PolarHBondContact NZ-OD1 3.03Å; N133-D147 HydrophobicContact CB-CB 4.46Å; N133-D147 PolarHBondContact ND2-O 2.99Å; D147-G149 PolarHBondContact O-N 2.81Å
148F71.6Confident64.9Low6 Ų661.5 Ų61.53%0.02632%0.315CS..  trans-65.9128.8169.9-68-96.5000109.8L55 L58 I63 V119 H126 I145 I150L55-F148 HydrophobicContact CD2-CD2 3.75Å; L55-F148 HydrophobicContact CD2-CE2 4.34Å; L58-F148 HydrophobicContact CD1-CD1 4.15Å; L58-F148 HydrophobicContact CD1-CD2 4.12Å; L58-F148 HydrophobicContact CD1-CE1 3.66Å; L58-F148 HydrophobicContact CD1-CE2 3.63Å; L58-F148 HydrophobicContact CD1-CG 4.38Å; L58-F148 HydrophobicContact CD1-CZ 3.39Å; I63-F148 HydrophobicContact CD1-CZ 4.33Å; I63-F148 HydrophobicContact CG2-CE2 3.78Å; I63-F148 HydrophobicContact CG2-CZ 3.89Å; V119-F148 HydrophobicContact CB-CE1 4.39Å; V119-F148 HydrophobicContact CG1-CD1 4.49Å; V119-F148 HydrophobicContact CG1-CE1 3.88Å; V119-F148 HydrophobicContact CG2-CE1 3.52Å; V119-F148 HydrophobicContact CG2-CZ 3.85Å; H126-F148 AromaticContact CD2-CD1 3.57Å; H126-F148 AromaticContact CD2-CE1 3.52Å; I145-F148 HydrophobicContact CG2-CZ 4.43Å; F148-I150 HydrophobicContact CB-CD1 3.36Å; F148-I150 HydrophobicContact CB-CG1 3.74Å; F148-I150 HydrophobicContact CG-CD1 4.2Å; F148-I150 PolarHBondContact O-N 2.96Å
149G60.6Low62Low3 Ų364.5 Ų64.53%0.03133%0.328CS..THydrogen-bonded Turntrans-72.234-177.400000115H126 D147 K152H126-G149 PolarHBondContact O-N 3.27Å; D147-G149 PolarHBondContact O-N 2.81Å; G149-K152 PolarHBondContact O-N 3.33Å
150I55.5Low58.9Low18 Ų1862.1 Ų62.19%0.09233%0.33CS..THydrogen-bonded Turntrans-66.4-40.3-172.2-59.8149.2000111.1E51 V54 F148E51-I150 HydrophobicContact CB-CB 4.28Å; E51-I150 HydrophobicContact CB-CG2 4.22Å; E51-I150 HydrophobicContact CG-CB 4.27Å; E51-I150 HydrophobicContact CG-CD1 4.21Å; V54-I150 HydrophobicContact CB-CD1 3.69Å; V54-I150 HydrophobicContact CB-CG1 4.47Å; V54-I150 HydrophobicContact CG1-CD1 3.42Å; V54-I150 VanDerWaalsContact CG1-CD1 3.42Å; V54-I150 HydrophobicContact CG1-CG1 4.15Å; V54-I150 HydrophobicContact CG2-CD1 4.41Å; V54-I150 HydrophobicContact CG2-CG2 4.25Å; F148-I150 HydrophobicContact CB-CD1 3.36Å; F148-I150 HydrophobicContact CB-CG1 3.74Å; F148-I150 HydrophobicContact CG-CD1 4.2Å; F148-I150 PolarHBondContact O-N 2.96Å
151S46.8Very low56Low19 Ų1968.4 Ų68.413%0.13335%0.353CS..G310 helixtrans-79.7-12.3177.845.80000114.5E51 I153 L154E51-S151 WeakPolarHBondContact OE2-CB 3.4Å; E51-S151 PolarHBondContact OE2-OG 3.5Å; S151-I153 PolarHBondContact O-N 3.26Å; S151-L154 PolarHBondContact O-N 2.78Å; S151-L154 VanDerWaalsContact O-N 3.17Å
152K47Very low53.3Low81 Ų8168.5 Ų68.535%0.35236%0.359SS..G310 helixtrans-68.5-13.2176.2-63.8-167.6-174.9-177.30113.5F15 D128 G149 L154F15-K152 HydrophobicContact CE1-CG 4.32Å; F15-K152 HydrophobicContact CZ-CD 4.31Å; F15-K152 HydrophobicContact CZ-CG 3.79Å; D128-K152 IonicContact OD1-NZ 2.76Å; D128-K152 PolarHBondContact OD1-NZ 2.91Å; D128-K152 WeakPolarHBondContact OD2-CE 3.15Å; D128-K152 IonicContact OD2-NZ 3.19Å; D128-K152 PolarHBondContact OD2-NZ 3.46Å; G149-K152 PolarHBondContact O-N 3.33Å; K152-L154 PolarHBondContact O-N 3.38Å
153I41.9Very low50.5Low96 Ų9672.3 Ų72.349%0.49239%0.385SS..G310 helixtrans-67.3-14.1174-61.7174.3000111.8S151S151-I153 PolarHBondContact O-N 3.26Å
154L32.1Very low47.5Very low59 Ų5977.8 Ų77.831%0.30942%0.418SS..G310 helixtrans-111.620.2-177.9-102.8154.6000115.7D43 A47 S151 K152D43-L154 HydrophobicContact CB-CD1 4.26Å; D43-L154 HydrophobicContact CB-CD2 3.48Å; D43-L154 VanDerWaalsContact CB-CD2 3.48Å; D43-L154 WeakPolarHBondContact O-CD1 3.28Å; A47-L154 HydrophobicContact CB-CB 3.85Å; A47-L154 HydrophobicContact CB-CD1 3.3Å; A47-L154 HydrophobicContact CB-CG 4.17Å; S151-L154 PolarHBondContact O-N 2.78Å; S151-L154 VanDerWaalsContact O-N 3.17Å; K152-L154 PolarHBondContact O-N 3.38Å
155V33.6Very low45.3Very low66 Ų6678.6 Ų78.640%0.443%0.433SS..  trans-132.462.7167.3-1710000109.5S158V155-S158 WeakPolarHBondContact CG1-O 3.25Å
156S33Very low43.6Very low94 Ų9480.6 Ų80.666%0.65745%0.446SS*.SBendtrans-94.84.6155.1830000112.5
157K29.3Very low42.9Very low190 Ų19082.1 Ų82.183%0.82645%0.454SS*.SBendtrans-133.5-1.8-179.4-74.7-169.9175.2-177.70116.7
158S25.5Very low43.2Very low50 Ų5078.7 Ų78.735%0.3544%0.436SS..SBendtrans-118.8140.3-178.58.70000112.2E44 V155 A160E44-S158 PolarHBondContact OE1-OG 3.23Å; V155-S158 WeakPolarHBondContact CG1-O 3.25Å; S158-A160 PolarHBondContact O-N 3.1Å
159K26.9Very low44Very low210 Ų21079.4 Ų79.491%0.91344%0.439SS*.  trans-36.9118.3-179.7-66.8167.61761780114.4
160A25.3Very low45.3Very low77 Ų7781.5 Ų81.564%0.63645%0.449SS*.  trans-143.574.8143.300000108.3S158 T162S158-A160 PolarHBondContact O-N 3.1Å; A160-T162 PolarHBondContact O-N 2.73Å; A160-T162 VanDerWaalsContact O-N 3.1Å
161Y28.8Very low46.8Very low191 Ų19180.7 Ų80.775%0.74945%0.445SS*.  trans-69.887.3145.2-84.3-88.5000106.3
162T28.9Very low48.7Very low102 Ų10279.9 Ų79.963%0.62644%0.439SS*.SBendtrans-165.3128.8149.545.10000106.2A160 V164A160-T162 PolarHBondContact O-N 2.73Å; A160-T162 VanDerWaalsContact O-N 3.1Å; T162-V164 PolarHBondContact O-N 2.74Å
163V32.1Very low50.4Low147 Ų14776.2 Ų76.289%0.89142%0.423SS*.  trans-5880.6162.6-179.10000108.2
164V31.8Very low52Low116 Ų11675.1 Ų75.170%0.70342%0.418SS*.  trans-127.378.4173.8-176.60000107T162T162-V164 PolarHBondContact O-N 2.74Å
165G47.6Very low54.1Low41 Ų4173.4 Ų73.442%0.42341%0.411SS..SBendtrans161.8147.4179.800000109.3P167G165-P167 WeakPolarHBondContact O-CD 3.46Å
166T56.2Low55.6Low46 Ų4675 Ų7528%0.28241%0.413SS..  trans-97.290.8-179.6-54.80000107.3C168T166-C168 VanDerWaalsContact CG2-SG 3.57Å; T166-C168 PolarHBondContact O-N 3.33Å
167P71.1Confident57Low39 Ų3971.8 Ų71.825%0.25340%0.396SS..G310 helixtrans-66.712.2-168.723.6-34.7000116G165 Y169 I170 L208 L211G165-P167 WeakPolarHBondContact O-CD 3.46Å; P167-Y169 PolarHBondContact O-N 3.34Å; P167-I170 HydrophobicContact CB-CD1 3.76Å; P167-I170 HydrophobicContact CB-CG1 4.49Å; P167-I170 WeakPolarHBondContact O-CG1 3.41Å; P167-I170 PolarHBondContact O-N 2.89Å; P167-L208 HydrophobicContact CB-CD1 3.56Å; P167-L208 HydrophobicContact CG-CD1 3.91Å; P167-L211 VanDerWaalsContact C-CD2 3.47Å; P167-L211 HydrophobicContact CB-CD2 3.65Å; P167-L211 HydrophobicContact CG-CD2 3.47Å; P167-L211 VanDerWaalsContact CG-CD2 3.47Å; P167-L211 WeakPolarHBondContact O-CD2 3.44Å
168C82.1Confident58.9Low2 Ų268.1 Ų68.11%0.01438%0.38CS..G310 helixtrans-74.1-9-17554.60000115.2T166 R201 F203T166-C168 VanDerWaalsContact CG2-SG 3.57Å; T166-C168 PolarHBondContact O-N 3.33Å; C168-R201 HydrophobicContact CB-CB 4.44Å; C168-R201 PolarHBondContact SG-NE 3.33Å; C168-R201 PolarHBondContact SG-NH2 3.35Å; C168-F203 WeakPolarHBondContact CB-O 3.46Å
169Y88.9Confident61Low21 Ų2170 Ų708%0.08239%0.391CS..G310 helixtrans-95.91179.8-55.6-89.4000112.6K130 T131 P167 S171 C191 V192 E195K130-Y169 HydrophobicContact CB-CD1 4.16Å; K130-Y169 HydrophobicContact CB-CD2 3.56Å; K130-Y169 HydrophobicContact CB-CE1 4.02Å; K130-Y169 HydrophobicContact CB-CE2 3.35Å; K130-Y169 HydrophobicContact CB-CG 3.96Å; T131-Y169 PolarHBondContact N-OH 3.35Å; T131-Y169 PolarHBondContact OG1-OH 3.04Å; P167-Y169 PolarHBondContact O-N 3.34Å; Y169-S171 PolarHBondContact O-N 2.93Å; Y169-C191 HydrophobicContact CD1-CB 3.52Å; Y169-C191 HydrophobicContact CE1-CB 3.87Å; Y169-C191 HydrophobicContact CG-CB 4.47Å; Y169-V192 HydrophobicContact CD1-CG2 4.34Å; Y169-V192 HydrophobicContact CE1-CG2 3.83Å; Y169-E195 WeakPolarHBondContact CE1-OE1 3.42Å; Y169-E195 PolarHBondContact OH-OE1 3.14Å; Y169-E195 PolarHBondContact OH-OE2 3.08Å
170I86.9Confident63.5Low47 Ų4762 Ų6224%0.24136%0.355CS..  trans-64.6131.4177-66.1175.2000108.7P167 L174 C175 W187 L208 I215P167-I170 HydrophobicContact CB-CD1 3.76Å; P167-I170 HydrophobicContact CB-CG1 4.49Å; P167-I170 WeakPolarHBondContact O-CG1 3.41Å; P167-I170 PolarHBondContact O-N 2.89Å; I170-L174 HydrophobicContact CG2-CB 4.09Å; I170-L174 HydrophobicContact CG2-CD2 4.12Å; I170-L174 HydrophobicContact CG2-CG 4.3Å; I170-C175 WeakPolarHBondContact CG2-SG 3.36Å; I170-W187 PolarHBondContact O-NE1 2.92Å; I170-L208 HydrophobicContact CD1-CD1 4.14Å; I170-I215 HydrophobicContact CB-CD1 4.18Å; I170-I215 WeakPolarHBondContact O-CD1 3.45Å
171S87.4Confident66.3Low1 Ų161.1 Ų61.11%0.00734%0.34CS..  trans-85.1153.9177.964.20000112.4Y169 E173 L174 C175 W187Y169-S171 PolarHBondContact O-N 2.93Å; S171-E173 VanDerWaalsContact C-N 3.28Å; S171-E173 VanDerWaalsContact CB-CD 3.47Å; S171-E173 VanDerWaalsContact CB-OE1 3.24Å; S171-E173 WeakPolarHBondContact CB-OE1 3.39Å; S171-E173 WeakPolarHBondContact CB-OE2 3.28Å; S171-E173 PolarHBondContact O-N 3.41Å; S171-E173 PolarHBondContact OG-OE1 3.28Å; S171-E173 PolarHBondContact OG-OE2 3.09Å; S171-L174 WeakPolarHBondContact O-CA 3.5Å; S171-L174 WeakPolarHBondContact O-CB 3.33Å; S171-L174 PolarHBondContact O-N 3.1Å; S171-C175 PolarHBondContact O-N 3.42Å; S171-W187 VanDerWaalsContact CA-CD1 3.49Å
172P86.1Confident69.2Low2 Ų256.1 Ų56.11%0.01332%0.324CS..Hα-helixtrans-52.7-42.7179.8-28.733.6000113.5L174 C175 E176 W187 I215 M216 L241P172-L174 VanDerWaalsContact C-N 3.26Å; P172-L174 PolarHBondContact O-N 3Å; P172-C175 WeakPolarHBondContact O-CA 3.42Å; P172-C175 VanDerWaalsContact O-CB 3.28Å; P172-C175 WeakPolarHBondContact O-CB 2.99Å; P172-C175 PolarHBondContact O-N 2.98Å; P172-C175 VanDerWaalsContact O-N 3.11Å; P172-E176 WeakPolarHBondContact O-CG 3.46Å; P172-E176 PolarHBondContact O-N 3.33Å; P172-W187 HydrophobicContact CG-CD2 4.38Å; P172-W187 HydrophobicContact CG-CE3 3.99Å; P172-W187 HydrophobicContact CG-CH2 3.54Å; P172-W187 HydrophobicContact CG-CZ2 3.98Å; P172-W187 HydrophobicContact CG-CZ3 3.54Å; P172-I215 HydrophobicContact CB-CG2 4.47Å; P172-I215 HydrophobicContact CG-CG2 3.91Å; P172-M216 HydrophobicContact CB-SD 3.83Å; P172-L241 HydrophobicContact CB-CD2 4.26Å; P172-L241 HydrophobicContact CG-CD2 3.69Å
173E81.9Confident72.3Confident3 Ų353.2 Ų53.21%0.01430%0.302CS..Hα-helixtrans-65.4-30.4178.767.2-82.3-171.700112.6S171 E176 G177 K178 S184 P243 R246S171-E173 VanDerWaalsContact C-N 3.28Å; S171-E173 VanDerWaalsContact CB-CD 3.47Å; S171-E173 VanDerWaalsContact CB-OE1 3.24Å; S171-E173 WeakPolarHBondContact CB-OE1 3.39Å; S171-E173 WeakPolarHBondContact CB-OE2 3.28Å; S171-E173 PolarHBondContact O-N 3.41Å; S171-E173 PolarHBondContact OG-OE1 3.28Å; S171-E173 PolarHBondContact OG-OE2 3.09Å; E173-E176 PolarHBondContact O-N 3.45Å; E173-G177 PolarHBondContact O-N 2.81Å; E173-K178 HydrophobicContact CB-CB 4.06Å; E173-K178 HydrophobicContact CB-CD 4.13Å; E173-K178 WeakPolarHBondContact O-CA 3.47Å; E173-K178 VanDerWaalsContact O-CB 3.29Å; E173-K178 WeakPolarHBondContact O-CB 3.18Å; E173-K178 PolarHBondContact O-N 3.32Å; E173-S184 WeakPolarHBondContact OE1-CA 3.41Å; E173-S184 WeakPolarHBondContact OE1-CB 3.5Å; E173-S184 PolarHBondContact OE1-N 2.91Å; E173-S184 PolarHBondContact OE1-OG 2.85Å; E173-P243 HydrophobicContact CB-CG 4.16Å; E173-P243 HydrophobicContact CG-CG 4.3Å; E173-R246 VanDerWaalsContact CD-NH1 3.28Å; E173-R246 IonicContact OE1-CZ 3.04Å; E173-R246 IonicContact OE1-NH1 2.71Å; E173-R246 PolarHBondContact OE1-NH1 3.38Å; E173-R246 IonicContact OE2-CZ 3.48Å; E173-R246 VanDerWaalsContact OE2-CZ 3.3Å; E173-R246 IonicContact OE2-NH1 2.83Å; E173-R246 PolarHBondContact OE2-NH1 2.96Å; E173-R246 IonicContact OE2-NH2 3.03Å; E173-R246 PolarHBondContact OE2-NH2 3.34Å
174L77.4Confident75.2Confident74 Ų7446.2 Ų46.239%0.38726%0.26SS..Hα-helixtrans-74.1-35174-169.464.8000111.1I170 S171 P172 E176 G177 Y180I170-L174 HydrophobicContact CG2-CB 4.09Å; I170-L174 HydrophobicContact CG2-CD2 4.12Å; I170-L174 HydrophobicContact CG2-CG 4.3Å; S171-L174 WeakPolarHBondContact O-CA 3.5Å; S171-L174 WeakPolarHBondContact O-CB 3.33Å; S171-L174 PolarHBondContact O-N 3.1Å; P172-L174 VanDerWaalsContact C-N 3.26Å; P172-L174 PolarHBondContact O-N 3Å; L174-E176 VanDerWaalsContact C-N 3.29Å; L174-E176 PolarHBondContact O-N 3.37Å; L174-G177 PolarHBondContact O-N 2.86Å; L174-Y180 HydrophobicContact CD2-CD2 4.16Å
175C74.7Confident78.2Confident23 Ų2340.7 Ų40.716%0.15523%0.226CC..Hα-helixtrans-62.1-36170.2-65.50000112.4I170 S171 P172 G177 V212 M216I170-C175 WeakPolarHBondContact CG2-SG 3.36Å; S171-C175 PolarHBondContact O-N 3.42Å; P172-C175 WeakPolarHBondContact O-CA 3.42Å; P172-C175 VanDerWaalsContact O-CB 3.28Å; P172-C175 WeakPolarHBondContact O-CB 2.99Å; P172-C175 PolarHBondContact O-N 2.98Å; P172-C175 VanDerWaalsContact O-N 3.11Å; C175-G177 PolarHBondContact O-N 3.04Å; C175-V212 HydrophobicContact CB-CG1 3.8Å; C175-M216 HydrophobicContact CB-CG 4.18Å; C175-M216 HydrophobicContact CB-SD 3.72Å
176E65.6Low80.6Confident98 Ų9838.8 Ų38.846%0.45821%0.206SC..THydrogen-bonded Turntrans-78.5-1.7176.3-67.4174.5166.500113.6P172 E173 L174 K178 M216P172-E176 WeakPolarHBondContact O-CG 3.46Å; P172-E176 PolarHBondContact O-N 3.33Å; E173-E176 PolarHBondContact O-N 3.45Å; L174-E176 VanDerWaalsContact C-N 3.29Å; L174-E176 PolarHBondContact O-N 3.37Å; E176-K178 VanDerWaalsContact C-N 3.31Å; E176-K178 HydrophobicContact CB-CD 4.47Å; E176-K178 HydrophobicContact CB-CG 4.33Å; E176-K178 PolarHBondContact O-N 3.26Å; E176-K178 WeakPolarHBondContact OE2-CD 3.23Å; E176-K178 WeakPolarHBondContact OE2-CE 3.41Å; E176-K178 IonicContact OE2-NZ 3.74Å; E176-K178 PolarHBondContact OE2-NZ 3.06Å; E176-M216 HydrophobicContact CG-CE 3.53Å; E176-M216 HydrophobicContact CG-SD 4.12Å; E176-M216 VanDerWaalsContact OE1-CE 3.27Å; E176-M216 WeakPolarHBondContact OE1-CE 3.46Å
177G61.8Low82.5Confident28 Ų2836.6 Ų36.629%0.28919%0.193SC..THydrogen-bonded Turntrans76.510.8-177.200000114.9E173 L174 C175E173-G177 PolarHBondContact O-N 2.81Å; L174-G177 PolarHBondContact O-N 2.86Å; C175-G177 PolarHBondContact O-N 3.04Å
178K69.8Low83.7Confident112 Ų11234.8 Ų34.849%0.48718%0.181SC..PPolyproline II helixtrans-75156.4175-63.1173177.3161.30111E173 E176 Y180E173-K178 HydrophobicContact CB-CB 4.06Å; E173-K178 HydrophobicContact CB-CD 4.13Å; E173-K178 WeakPolarHBondContact O-CA 3.47Å; E173-K178 VanDerWaalsContact O-CB 3.29Å; E173-K178 WeakPolarHBondContact O-CB 3.18Å; E173-K178 PolarHBondContact O-N 3.32Å; E176-K178 VanDerWaalsContact C-N 3.31Å; E176-K178 HydrophobicContact CB-CD 4.47Å; E176-K178 HydrophobicContact CB-CG 4.33Å; E176-K178 PolarHBondContact O-N 3.26Å; E176-K178 WeakPolarHBondContact OE2-CD 3.23Å; E176-K178 WeakPolarHBondContact OE2-CE 3.41Å; E176-K178 IonicContact OE2-NZ 3.74Å; E176-K178 PolarHBondContact OE2-NZ 3.06Å; K178-Y180 PolarHBondContact O-N 3.24Å
179P69.1Low84.4Confident91 Ų9134.7 Ų34.759%0.59118%0.181SC*.PPolyproline II helixtrans-62134.5178.9-23.333.7000113.7N181P179-N181 PolarHBondContact O-ND2 3.42Å
180Y79.4Confident84.9Confident41 Ų4133.7 Ų33.716%0.16118%0.177CC..PPolyproline II helixtrans-61.1134172.2-164.3-82000111L125 R127 L174 K178 D185L125-Y180 HydrophobicContact CB-CD1 4.49Å; L125-Y180 HydrophobicContact CB-CE1 4.43Å; L125-Y180 HydrophobicContact CD1-CD1 4.08Å; R127-Y180 HydrophobicContact CB-CE1 4.31Å; R127-Y180 HydrophobicContact CG-CD1 3.87Å; R127-Y180 HydrophobicContact CG-CE1 3.82Å; L174-Y180 HydrophobicContact CD2-CD2 4.16Å; K178-Y180 PolarHBondContact O-N 3.24Å; Y180-D185 VanDerWaalsContact CE1-OD1 3.32Å; Y180-D185 WeakPolarHBondContact CE1-OD1 3.49Å; Y180-D185 PolarHBondContact OH-N 3.49Å; Y180-D185 PolarHBondContact OH-OD1 3.45Å
181N83.8Confident85.4Confident59 Ų5931.5 Ų31.532%0.31617%0.166SC..  trans-141.9-177.1-176.763.265.3000111.5P179 K183 S184P179-N181 PolarHBondContact O-ND2 3.42Å; N181-K183 PolarHBondContact O-N 3.32Å; N181-K183 WeakPolarHBondContact OD1-CA 3.4Å; N181-K183 WeakPolarHBondContact OD1-CB 3.26Å; N181-K183 PolarHBondContact OD1-N 3.34Å; N181-S184 PolarHBondContact N-OG 2.94Å; N181-S184 VanDerWaalsContact N-OG 3.09Å; N181-S184 WeakPolarHBondContact O-CB 3.23Å; N181-S184 PolarHBondContact O-N 3.36Å; N181-S184 PolarHBondContact O-OG 2.69Å; N181-S184 PolarHBondContact OD1-N 3.41Å
182Q91Very high85.8Confident86 Ų8631.5 Ų31.540%0.40217%0.165SC..Hα-helixtrans-58-33.6-179.4-70.1-179.5-15.600112.9L125 S184 D185 I186L125-Q182 HydrophobicContact CD2-CB 4.2Å; L125-Q182 HydrophobicContact CD2-CG 3.49Å; L125-Q182 VanDerWaalsContact CD2-CG 3.49Å; Q182-S184 VanDerWaalsContact C-N 3.25Å; Q182-S184 PolarHBondContact O-N 3.16Å; Q182-D185 WeakPolarHBondContact O-CB 3.35Å; Q182-D185 PolarHBondContact O-N 3.42Å; Q182-I186 WeakPolarHBondContact O-CG1 3.32Å; Q182-I186 PolarHBondContact O-N 3.43Å
183K94.7Very high86.4Confident40 Ų4031.4 Ų31.417%0.17417%0.165CC..Hα-helixtrans-71.6-20.3177.6-55.5-60.1-163.283.50112.7N181 I186 W187 P243 S244 R246N181-K183 PolarHBondContact O-N 3.32Å; N181-K183 WeakPolarHBondContact OD1-CA 3.4Å; N181-K183 WeakPolarHBondContact OD1-CB 3.26Å; N181-K183 PolarHBondContact OD1-N 3.34Å; K183-I186 HydrophobicContact CD-CG1 4.37Å; K183-I186 PolarHBondContact O-N 3.39Å; K183-W187 PolarHBondContact O-N 3.22Å; K183-W187 VanDerWaalsContact O-N 3.12Å; K183-P243 HydrophobicContact CB-CB 3.9Å; K183-P243 HydrophobicContact CG-CB 4.36Å; K183-P243 WeakPolarHBondContact CG-O 3.3Å; K183-P243 PolarHBondContact NZ-O 3.21Å; K183-S244 PolarHBondContact NZ-O 2.82Å; K183-R246 HydrophobicContact CD-CB 4.39Å; K183-R246 PolarHBondContact NZ-O 3.49Å; K183-R246 PolarHBondContact O-NH1 2.58Å
184S92.7Very high87.1Confident0 Ų031.4 Ų31.40%017%0.165CC..Hα-helixtrans-70.2-38.5171-45.50000111E173 N181 Q182 I186 W187 A188E173-S184 WeakPolarHBondContact OE1-CA 3.41Å; E173-S184 WeakPolarHBondContact OE1-CB 3.5Å; E173-S184 PolarHBondContact OE1-N 2.91Å; E173-S184 PolarHBondContact OE1-OG 2.85Å; N181-S184 PolarHBondContact N-OG 2.94Å; N181-S184 VanDerWaalsContact N-OG 3.09Å; N181-S184 WeakPolarHBondContact O-CB 3.23Å; N181-S184 PolarHBondContact O-N 3.36Å; N181-S184 PolarHBondContact O-OG 2.69Å; N181-S184 PolarHBondContact OD1-N 3.41Å; Q182-S184 VanDerWaalsContact C-N 3.25Å; Q182-S184 PolarHBondContact O-N 3.16Å; S184-I186 VanDerWaalsContact C-N 3.33Å; S184-I186 PolarHBondContact O-N 3.35Å; S184-W187 WeakPolarHBondContact O-CB 3.14Å; S184-W187 PolarHBondContact O-N 2.84Å; S184-A188 PolarHBondContact O-N 3.09Å; S184-A188 VanDerWaalsContact O-N 3.14Å
185D93.9Very high88Confident0 Ų028.6 Ų28.60%015%0.149CC..Hα-helixtrans-65.7-34.7171.1-76.8-25.3000111.6L116 H120 H126 R127 Y180 Q182 W187 A188 L189L116-D185 HydrophobicContact CD1-CB 4.41Å; L116-D185 HydrophobicContact CD2-CB 4.29Å; H120-D185 IonicContact CD2-OD2 2.84Å; H120-D185 IonicContact CE1-OD2 3.66Å; H120-D185 IonicContact NE2-OD2 3.98Å; H120-D185 PolarHBondContact NE2-OD2 3.17Å; H126-D185 PolarHBondContact N-OD2 3.23Å; R127-D185 PolarHBondContact N-OD1 3.29Å; R127-D185 VanDerWaalsContact N-OD1 3.08Å; Y180-D185 VanDerWaalsContact CE1-OD1 3.32Å; Y180-D185 WeakPolarHBondContact CE1-OD1 3.49Å; Y180-D185 PolarHBondContact OH-N 3.49Å; Y180-D185 PolarHBondContact OH-OD1 3.45Å; Q182-D185 WeakPolarHBondContact O-CB 3.35Å; Q182-D185 PolarHBondContact O-N 3.42Å; D185-W187 VanDerWaalsContact C-N 3.34Å; D185-A188 PolarHBondContact O-N 3.2Å; D185-L189 WeakPolarHBondContact O-CB 3.46Å; D185-L189 PolarHBondContact O-N 3.08Å
186I97.8Very high89.1Confident2 Ų227.5 Ų27.51%0.0114%0.142CC..Hα-helixtrans-63.2-39.8173.8-55.8-55.9000111.8Q182 K183 S184 L189 G190 M238 R246 L249 I252Q182-I186 WeakPolarHBondContact O-CG1 3.32Å; Q182-I186 PolarHBondContact O-N 3.43Å; K183-I186 HydrophobicContact CD-CG1 4.37Å; K183-I186 PolarHBondContact O-N 3.39Å; S184-I186 VanDerWaalsContact C-N 3.33Å; S184-I186 PolarHBondContact O-N 3.35Å; I186-L189 WeakPolarHBondContact O-CB 3.28Å; I186-L189 PolarHBondContact O-N 2.8Å; I186-G190 PolarHBondContact O-N 3.31Å; I186-M238 HydrophobicContact CG2-CB 4.14Å; I186-M238 HydrophobicContact CG2-CG 3.91Å; I186-M238 HydrophobicContact CG2-SD 4.45Å; I186-R246 HydrophobicContact CG2-CB 4.17Å; I186-L249 HydrophobicContact CD1-CD2 3.4Å; I186-L249 HydrophobicContact CD1-CG 3.7Å; I186-I252 HydrophobicContact CD1-CD1 4.42Å; I186-I252 HydrophobicContact CG2-CD1 4.34Å
187W97.1Very high90.5Very high0 Ų022.8 Ų22.80%012%0.12CC..Hα-helixtrans-61.4-48.9174.7175-85.1000111.4I170 S171 P172 K183 S184 D185 L189 G190 C191 F203 I215 L239 L241I170-W187 PolarHBondContact O-NE1 2.92Å; S171-W187 VanDerWaalsContact CA-CD1 3.49Å; P172-W187 HydrophobicContact CG-CD2 4.38Å; P172-W187 HydrophobicContact CG-CE3 3.99Å; P172-W187 HydrophobicContact CG-CH2 3.54Å; P172-W187 HydrophobicContact CG-CZ2 3.98Å; P172-W187 HydrophobicContact CG-CZ3 3.54Å; K183-W187 PolarHBondContact O-N 3.22Å; K183-W187 VanDerWaalsContact O-N 3.12Å; S184-W187 WeakPolarHBondContact O-CB 3.14Å; S184-W187 PolarHBondContact O-N 2.84Å; D185-W187 VanDerWaalsContact C-N 3.34Å; W187-L189 VanDerWaalsContact C-N 3.28Å; W187-L189 PolarHBondContact O-N 2.66Å; W187-G190 WeakPolarHBondContact O-CA 3.46Å; W187-G190 PolarHBondContact O-N 3.16Å; W187-C191 PolarHBondContact O-N 3.04Å; W187-F203 AromaticContact CE2-CE2 3.97Å; W187-F203 AromaticContact CH2-CE2 3.86Å; W187-F203 HydrophobicContact CH2-CE2 3.86Å; W187-F203 AromaticContact CH2-CZ 3.66Å; W187-F203 HydrophobicContact CH2-CZ 3.66Å; W187-F203 AromaticContact CZ2-CD2 3.99Å; W187-F203 HydrophobicContact CZ2-CD2 3.99Å; W187-F203 HydrophobicContact CZ2-CE1 4.45Å; W187-F203 AromaticContact CZ2-CE2 3.23Å; W187-F203 HydrophobicContact CZ2-CE2 3.23Å; W187-F203 AromaticContact CZ2-CZ 3.5Å; W187-F203 HydrophobicContact CZ2-CZ 3.5Å; W187-I215 HydrophobicContact CH2-CG2 4.36Å; W187-I215 HydrophobicContact CZ2-CG2 3.78Å; W187-L239 HydrophobicContact CD2-CD2 4.02Å; W187-L239 HydrophobicContact CE3-CD2 4.19Å; W187-L239 HydrophobicContact CZ2-CD2 4.39Å; W187-L239 VanDerWaalsContact CZ3-C 3.44Å; W187-L239 HydrophobicContact CZ3-CB 4.31Å; W187-L239 HydrophobicContact CZ3-CD2 4.47Å; W187-L239 VanDerWaalsContact CZ3-O 3.31Å; W187-L239 WeakPolarHBondContact CZ3-O 3.47Å; W187-L241 HydrophobicContact CH2-CD2 4.24Å; W187-L241 HydrophobicContact CZ3-CD2 4.43Å
188A95.9Very high92.1Very high1 Ų122.5 Ų22.51%0.00811%0.113CC..Hα-helixtrans-60.6-38.4177.700000112L129 S184 D185 G190 C191 V192L129-A188 HydrophobicContact CB-CB 3.99Å; L129-A188 HydrophobicContact CD2-CB 4.32Å; S184-A188 PolarHBondContact O-N 3.09Å; S184-A188 VanDerWaalsContact O-N 3.14Å; D185-A188 PolarHBondContact O-N 3.2Å; A188-G190 VanDerWaalsContact C-N 3.33Å; A188-G190 PolarHBondContact O-N 3.26Å; A188-C191 WeakPolarHBondContact O-CB 3.48Å; A188-C191 PolarHBondContact O-N 3.25Å; A188-V192 WeakPolarHBondContact O-CG2 3.42Å; A188-V192 PolarHBondContact O-N 2.89Å
189L97.6Very high93.2Very high0 Ų018.3 Ų18.30%010%0.097CC..Hα-helixtrans-61.8-39.7172.2179.261.6000111.9F109 I112 L113 L116 L129 D185 I186 W187 V192 L193 M238 L249F109-L189 HydrophobicContact CD2-CD1 4.11Å; F109-L189 HydrophobicContact CE2-CD1 3.77Å; F109-L189 HydrophobicContact CE2-CD2 4.02Å; F109-L189 HydrophobicContact CE2-CG 3.78Å; F109-L189 HydrophobicContact CZ-CD2 4.32Å; I112-L189 HydrophobicContact CB-CD1 4.35Å; I112-L189 HydrophobicContact CG2-CD1 3.56Å; L113-L189 HydrophobicContact CD1-CD2 3.88Å; L116-L189 HydrophobicContact CD2-CB 4.42Å; L116-L189 HydrophobicContact CD2-CD2 4.17Å; L129-L189 HydrophobicContact CD2-CB 3.98Å; D185-L189 WeakPolarHBondContact O-CB 3.46Å; D185-L189 PolarHBondContact O-N 3.08Å; I186-L189 WeakPolarHBondContact O-CB 3.28Å; I186-L189 PolarHBondContact O-N 2.8Å; W187-L189 VanDerWaalsContact C-N 3.28Å; W187-L189 PolarHBondContact O-N 2.66Å; L189-V192 PolarHBondContact O-N 3.06Å; L189-L193 PolarHBondContact O-N 2.79Å; L189-M238 HydrophobicContact CB-SD 4.46Å; L189-M238 HydrophobicContact CD2-SD 4.08Å; L189-M238 HydrophobicContact CG-SD 3.99Å; L189-L249 HydrophobicContact CD2-CD2 4.19Å
190G97.8Very high94.3Very high0 Ų020.4 Ų20.40%010%0.096CC..Hα-helixtrans-60.3-42.3172.400000113.1I186 W187 A188 L193 Y194I186-G190 PolarHBondContact O-N 3.31Å; W187-G190 WeakPolarHBondContact O-CA 3.46Å; W187-G190 PolarHBondContact O-N 3.16Å; A188-G190 VanDerWaalsContact C-N 3.33Å; A188-G190 PolarHBondContact O-N 3.26Å; G190-L193 PolarHBondContact O-N 2.92Å; G190-Y194 WeakPolarHBondContact O-CB 3.21Å; G190-Y194 PolarHBondContact O-N 3.25Å
191C97.3Very high94.8Very high1 Ų121.2 Ų21.21%0.00710%0.099CC..Hα-helixtrans-62.6-43.3174.8-65.60000111.9Y169 W187 A188 Y194 E195Y169-C191 HydrophobicContact CD1-CB 3.52Å; Y169-C191 HydrophobicContact CE1-CB 3.87Å; Y169-C191 HydrophobicContact CG-CB 4.47Å; W187-C191 PolarHBondContact O-N 3.04Å; A188-C191 WeakPolarHBondContact O-CB 3.48Å; A188-C191 PolarHBondContact O-N 3.25Å; C191-Y194 PolarHBondContact O-N 3.36Å; C191-E195 PolarHBondContact O-N 3.18Å
192V97.3Very high95.2Very high0 Ų018.6 Ų18.60%09%0.086CC..Hα-helixtrans-61.6-44.9175.6172.10000111.2L88 I112 T131 I134 Y169 A188 L189 Y194 E195 L196L88-V192 HydrophobicContact CD2-CG1 4.26Å; I112-V192 HydrophobicContact CD1-CG1 4.02Å; T131-V192 HydrophobicContact CG2-CG1 4.2Å; T131-V192 HydrophobicContact CG2-CG2 4.25Å; I134-V192 HydrophobicContact CD1-CG1 3.93Å; I134-V192 HydrophobicContact CD1-CG2 4.06Å; Y169-V192 HydrophobicContact CD1-CG2 4.34Å; Y169-V192 HydrophobicContact CE1-CG2 3.83Å; A188-V192 WeakPolarHBondContact O-CG2 3.42Å; A188-V192 PolarHBondContact O-N 2.89Å; L189-V192 PolarHBondContact O-N 3.06Å; V192-Y194 VanDerWaalsContact C-N 3.34Å; V192-Y194 PolarHBondContact O-N 3.11Å; V192-E195 PolarHBondContact O-N 3.31Å; V192-L196 HydrophobicContact CG1-CD1 4.42Å; V192-L196 WeakPolarHBondContact O-CG 3.47Å; V192-L196 PolarHBondContact O-N 2.54Å
193L97.9Very high95.2Very high0 Ų014.5 Ų14.50%07%0.067CC..Hα-helixtrans-64.7-39.8178.3-174.658.9000111.9I105 F109 L189 G190 E195 L196 A197 L231 L234 I235 M238I105-L193 HydrophobicContact CG2-CD1 3.5Å; F109-L193 HydrophobicContact CB-CD1 4Å; F109-L193 HydrophobicContact CD2-CB 4.06Å; F109-L193 HydrophobicContact CD2-CD1 3.69Å; F109-L193 HydrophobicContact CD2-CD2 3.95Å; F109-L193 HydrophobicContact CD2-CG 4.1Å; F109-L193 HydrophobicContact CE2-CB 4.14Å; F109-L193 HydrophobicContact CE2-CD1 4.34Å; F109-L193 HydrophobicContact CE2-CD2 3.76Å; F109-L193 HydrophobicContact CE2-CG 4.29Å; F109-L193 HydrophobicContact CG-CD1 3.9Å; F109-L193 HydrophobicContact CG-CD2 4.42Å; F109-L193 HydrophobicContact CZ-CD2 4.08Å; L189-L193 PolarHBondContact O-N 2.79Å; G190-L193 PolarHBondContact O-N 2.92Å; L193-E195 VanDerWaalsContact C-N 3.35Å; L193-L196 PolarHBondContact O-N 2.89Å; L193-A197 PolarHBondContact O-N 3.38Å; L193-A197 VanDerWaalsContact O-N 3.11Å; L193-L231 HydrophobicContact CD1-CD1 4.14Å; L193-L231 HydrophobicContact CD2-CD1 3.96Å; L193-L231 HydrophobicContact CG-CD1 4.28Å; L193-L234 HydrophobicContact CD2-CD2 4.12Å; L193-L234 HydrophobicContact CD2-CG 4.11Å; L193-I235 HydrophobicContact CB-CG1 4.27Å; L193-I235 HydrophobicContact CD2-CD1 4.35Å; L193-I235 HydrophobicContact CD2-CG1 3.53Å; L193-I235 HydrophobicContact CG-CD1 4.06Å; L193-I235 HydrophobicContact CG-CG1 3.64Å; L193-M238 HydrophobicContact CB-CE 3.95Å; L193-M238 HydrophobicContact CD2-CE 3.29Å; L193-M238 HydrophobicContact CG-CE 4.24Å
194Y97.6Very high94.7Very high4 Ų417.4 Ų17.42%0.0168%0.08CC..Hα-helixtrans-61.1-42.5173.9-179.9-85.9000112.1G190 C191 V192 A197 S198 K200 A202 F220 A221 I223 I235G190-Y194 WeakPolarHBondContact O-CB 3.21Å; G190-Y194 PolarHBondContact O-N 3.25Å; C191-Y194 PolarHBondContact O-N 3.36Å; V192-Y194 VanDerWaalsContact C-N 3.34Å; V192-Y194 PolarHBondContact O-N 3.11Å; Y194-A197 PolarHBondContact O-N 2.78Å; Y194-S198 VanDerWaalsContact CD1-OG 3.31Å; Y194-S198 WeakPolarHBondContact CD1-OG 2.99Å; Y194-S198 WeakPolarHBondContact CE1-OG 3.4Å; Y194-S198 WeakPolarHBondContact O-CB 3.49Å; Y194-S198 PolarHBondContact O-N 2.9Å; Y194-S198 PolarHBondContact O-OG 3.27Å; Y194-K200 WeakPolarHBondContact CD1-O 3.32Å; Y194-K200 WeakPolarHBondContact CE1-O 3.09Å; Y194-A202 HydrophobicContact CD1-CB 3.47Å; Y194-A202 VanDerWaalsContact CD1-CB 3.47Å; Y194-A202 VanDerWaalsContact CD1-N 3.33Å; Y194-A202 HydrophobicContact CD2-CB 4.37Å; Y194-A202 HydrophobicContact CE1-CB 3.9Å; Y194-A202 HydrophobicContact CG-CB 3.72Å; Y194-F220 AromaticContact CD2-CD2 3.81Å; Y194-F220 HydrophobicContact CD2-CD2 3.81Å; Y194-F220 AromaticContact CD2-CE2 3.77Å; Y194-F220 HydrophobicContact CD2-CE2 3.77Å; Y194-F220 AromaticContact CE2-CD2 3.3Å; Y194-F220 HydrophobicContact CE2-CD2 3.3Å; Y194-F220 AromaticContact CE2-CE2 3.62Å; Y194-F220 HydrophobicContact CE2-CE2 3.62Å; Y194-F220 HydrophobicContact CE2-CG 4.36Å; Y194-F220 AromaticContact CZ-CD2 3.95Å; Y194-A221 WeakPolarHBondContact CE2-O 3.5Å; Y194-A221 PolarHBondContact OH-O 3.17Å; Y194-I223 HydrophobicContact CD2-CD1 4.35Å; Y194-I223 HydrophobicContact CD2-CG1 3.85Å; Y194-I223 HydrophobicContact CE2-CG1 3.75Å; Y194-I235 HydrophobicContact CD2-CG2 4.1Å
195E95.8Very high93.7Very high14 Ų1419.2 Ų19.27%0.06510%0.095CC..Hα-helixtrans-64-39.7177-84.3173.8-102.700112.6I92 T131 Y169 C191 V192 L193 A197 L199 K200I92-E195 HydrophobicContact CD1-CB 4.21Å; T131-E195 HydrophobicContact CG2-CB 4.35Å; T131-E195 PolarHBondContact OG1-OE2 3.42Å; Y169-E195 WeakPolarHBondContact CE1-OE1 3.42Å; Y169-E195 PolarHBondContact OH-OE1 3.14Å; Y169-E195 PolarHBondContact OH-OE2 3.08Å; C191-E195 PolarHBondContact O-N 3.18Å; V192-E195 PolarHBondContact O-N 3.31Å; L193-E195 VanDerWaalsContact C-N 3.35Å; E195-A197 VanDerWaalsContact C-N 3.28Å; E195-A197 PolarHBondContact O-N 3.26Å; E195-L199 WeakPolarHBondContact O-CA 3.36Å; E195-L199 PolarHBondContact O-N 3.26Å; E195-K200 WeakPolarHBondContact CA-O 3.33Å; E195-K200 WeakPolarHBondContact CG-O 3.33Å
196L96.7Very high92.3Very high0 Ų024.2 Ų24.20%014%0.137CC..Hα-helixtrans-62-37.7173.8-72.2171000112.1L88 I92 L100 I105 F108 V192 L193L88-L196 HydrophobicContact CD1-CD2 4.04Å; L88-L196 HydrophobicContact CD2-CD2 4.16Å; L88-L196 HydrophobicContact CG-CD2 4.26Å; I92-L196 HydrophobicContact CD1-CD2 4.01Å; I92-L196 HydrophobicContact CG1-CD2 4.23Å; L100-L196 HydrophobicContact CD1-CD2 3.91Å; I105-L196 HydrophobicContact CG1-CB 4.26Å; I105-L196 HydrophobicContact CG2-CB 3.93Å; I105-L196 HydrophobicContact CG2-CD1 4.47Å; F108-L196 HydrophobicContact CB-CD1 4.18Å; F108-L196 HydrophobicContact CD2-CD2 4.26Å; V192-L196 HydrophobicContact CG1-CD1 4.42Å; V192-L196 WeakPolarHBondContact O-CG 3.47Å; V192-L196 PolarHBondContact O-N 2.54Å; L193-L196 PolarHBondContact O-N 2.89Å
197A96.7Very high90.4Very high0 Ų028.3 Ų28.30%016%0.159CC..Hα-helixtrans-79.7-31.3-179.400000113.9I105 L193 Y194 E195 I223 Y227 I235I105-A197 HydrophobicContact CD1-CB 4.27Å; L193-A197 PolarHBondContact O-N 3.38Å; L193-A197 VanDerWaalsContact O-N 3.11Å; Y194-A197 PolarHBondContact O-N 2.78Å; E195-A197 VanDerWaalsContact C-N 3.28Å; E195-A197 PolarHBondContact O-N 3.26Å; A197-I223 HydrophobicContact CB-CG2 4.25Å; A197-Y227 HydrophobicContact CB-CE2 4.18Å; A197-Y227 WeakPolarHBondContact O-CE2 3.19Å; A197-Y227 PolarHBondContact O-OH 3.01Å; A197-I235 HydrophobicContact CB-CD1 4.09Å
198S94.5Very high88.8Confident21 Ų2132.8 Ų32.815%0.14718%0.183CC..Hα-helixtrans-112.8-12.6-171.5690000114.5Y194 K200Y194-S198 VanDerWaalsContact CD1-OG 3.31Å; Y194-S198 WeakPolarHBondContact CD1-OG 2.99Å; Y194-S198 WeakPolarHBondContact CE1-OG 3.4Å; Y194-S198 WeakPolarHBondContact O-CB 3.49Å; Y194-S198 PolarHBondContact O-N 2.9Å; Y194-S198 PolarHBondContact O-OG 3.27Å; S198-K200 PolarHBondContact O-N 3.41Å; S198-K200 VanDerWaalsContact O-N 3.1Å; S198-K200 PolarHBondContact OG-N 3.4Å; S198-K200 VanDerWaalsContact OG-N 3.17Å; S198-K200 PolarHBondContact OG-O 2.9Å
199L93.4Very high86.8Confident25 Ų2534.2 Ų34.213%0.13119%0.192CC..SBendtrans55.516.1-167.9-49.1177.4000113.7I92 R95 S98 L99 L100 E195I92-L199 HydrophobicContact CG2-CB 4.14Å; I92-L199 HydrophobicContact CG2-CD2 3.82Å; R95-L199 HydrophobicContact CB-CD1 3.97Å; R95-L199 HydrophobicContact CB-CD2 4.37Å; R95-L199 HydrophobicContact CG-CD2 4.46Å; S98-L199 WeakPolarHBondContact O-CD1 3.08Å; L99-L199 HydrophobicContact CD2-CD1 4.07Å; L99-L199 HydrophobicContact CD2-CG 3.97Å; L100-L199 HydrophobicContact CG-CD2 4.41Å; E195-L199 WeakPolarHBondContact O-CA 3.36Å; E195-L199 PolarHBondContact O-N 3.26Å
200K91Very high85.1Confident135 Ų13536 Ų3659%0.58721%0.206SC*.SBendtrans-131.7155.3-178.7-66.4-179.4-176.2179.60109.5Y194 E195 S198Y194-K200 WeakPolarHBondContact CD1-O 3.32Å; Y194-K200 WeakPolarHBondContact CE1-O 3.09Å; E195-K200 WeakPolarHBondContact CA-O 3.33Å; E195-K200 WeakPolarHBondContact CG-O 3.33Å; S198-K200 PolarHBondContact O-N 3.41Å; S198-K200 VanDerWaalsContact O-N 3.1Å; S198-K200 PolarHBondContact OG-N 3.4Å; S198-K200 VanDerWaalsContact OG-N 3.17Å; S198-K200 PolarHBondContact OG-O 2.9Å
201R91.4Very high84Confident58 Ų5836.1 Ų36.122%0.21921%0.207CC..  trans-70.9137.9174.4-63.1165.965.9-164.55.3109.4C168 F203 E204C168-R201 HydrophobicContact CB-CB 4.44Å; C168-R201 PolarHBondContact SG-NE 3.33Å; C168-R201 PolarHBondContact SG-NH2 3.35Å; R201-F203 VanDerWaalsContact C-N 3.34Å; R201-E204 HydrophobicContact CB-CB 4.38Å; R201-E204 IonicContact CZ-OE1 3.77Å; R201-E204 IonicContact NH1-OE1 2.82Å; R201-E204 PolarHBondContact NH1-OE1 3Å
202A91.4Very high82.9Confident4 Ų437.8 Ų37.83%0.03322%0.217CC..SBendtrans-59.4-49.2176.300000111Y194 F220 L239Y194-A202 HydrophobicContact CD1-CB 3.47Å; Y194-A202 VanDerWaalsContact CD1-CB 3.47Å; Y194-A202 VanDerWaalsContact CD1-N 3.33Å; Y194-A202 HydrophobicContact CD2-CB 4.37Å; Y194-A202 HydrophobicContact CE1-CB 3.9Å; Y194-A202 HydrophobicContact CG-CB 3.72Å; A202-F220 HydrophobicContact CB-CB 4.4Å; A202-F220 WeakPolarHBondContact O-CB 3.44Å; A202-L239 HydrophobicContact CB-CD1 4.29Å
203F91.4Very high81.3Confident0 Ų040.9 Ų40.90%023%0.233CC..SBendtrans-116.1118.6-179.9-52.3-77.5000108.9C168 W187 R201 L211 K214 I215 F220 L239C168-F203 WeakPolarHBondContact CB-O 3.46Å; W187-F203 AromaticContact CE2-CE2 3.97Å; W187-F203 AromaticContact CH2-CE2 3.86Å; W187-F203 HydrophobicContact CH2-CE2 3.86Å; W187-F203 AromaticContact CH2-CZ 3.66Å; W187-F203 HydrophobicContact CH2-CZ 3.66Å; W187-F203 AromaticContact CZ2-CD2 3.99Å; W187-F203 HydrophobicContact CZ2-CD2 3.99Å; W187-F203 HydrophobicContact CZ2-CE1 4.45Å; W187-F203 AromaticContact CZ2-CE2 3.23Å; W187-F203 HydrophobicContact CZ2-CE2 3.23Å; W187-F203 AromaticContact CZ2-CZ 3.5Å; W187-F203 HydrophobicContact CZ2-CZ 3.5Å; R201-F203 VanDerWaalsContact C-N 3.34Å; F203-L211 HydrophobicContact CB-CD1 3.56Å; F203-L211 VanDerWaalsContact O-CD1 3.3Å; F203-L211 WeakPolarHBondContact O-CD1 3.4Å; F203-K214 HydrophobicContact CD1-CG 4.23Å; F203-K214 WeakPolarHBondContact CD1-O 3.47Å; F203-K214 WeakPolarHBondContact CE1-O 3.32Å; F203-I215 HydrophobicContact CB-CD1 4.49Å; F203-I215 HydrophobicContact CB-CG1 3.74Å; F203-I215 HydrophobicContact CD1-CG1 4.06Å; F203-I215 HydrophobicContact CD2-CG1 4.06Å; F203-I215 HydrophobicContact CG-CG1 3.67Å; F203-F220 HydrophobicContact CE1-CB 4.2Å; F203-F220 AromaticContact CE1-CD1 3.9Å; F203-F220 HydrophobicContact CE1-CD1 3.9Å; F203-F220 AromaticContact CZ-CD1 3.7Å; F203-F220 HydrophobicContact CZ-CD1 3.7Å; F203-F220 HydrophobicContact CZ-CE1 4.35Å; F203-L239 HydrophobicContact CE2-CD1 4.4Å; F203-L239 HydrophobicContact CE2-CD2 4.19Å
204E82.9Confident80.3Confident100 Ų10044.5 Ų44.547%0.46725%0.249SC..  trans-144.6137.7176-176.1159-123.900109.3R201 K214R201-E204 HydrophobicContact CB-CB 4.38Å; R201-E204 IonicContact CZ-OE1 3.77Å; R201-E204 IonicContact NH1-OE1 2.82Å; R201-E204 PolarHBondContact NH1-OE1 3Å; E204-K214 VanDerWaalsContact O-CD 3.23Å; E204-K214 WeakPolarHBondContact O-CD 3.38Å; E204-K214 PolarHBondContact O-NZ 2.94Å
205A72.8Confident79.7Confident38 Ų3844.3 Ų44.331%0.31425%0.248SC..  trans-154166.5178.700000110N207 A210 L211A205-N207 VanDerWaalsContact C-N 3.27Å; A205-N207 PolarHBondContact O-N 3.46Å; A205-A210 VanDerWaalsContact CB-C 3.44Å; A205-A210 HydrophobicContact CB-CB 3.6Å; A205-L211 HydrophobicContact CB-CB 3.96Å; A205-L211 VanDerWaalsContact CB-N 3.3Å
206A63.5Low79Confident106 Ų10646.4 Ų46.488%0.87626%0.259SS*.SBendtrans-67.6-23.4-175.300000114.1
207N58Low78.3Confident88 Ų8849.2 Ų49.247%0.47128%0.278SS..SBendtrans-149.7165.1179.754.849.7000110.9A205 P209 A210 L211A205-N207 VanDerWaalsContact C-N 3.27Å; A205-N207 PolarHBondContact O-N 3.46Å; N207-P209 WeakPolarHBondContact OD1-CD 3.38Å; N207-A210 PolarHBondContact O-N 3.49Å; N207-A210 WeakPolarHBondContact OD1-CB 3.39Å; N207-A210 PolarHBondContact OD1-N 3.4Å; N207-L211 WeakPolarHBondContact O-CB 3.34Å; N207-L211 PolarHBondContact O-N 3.22Å
208L63.7Low77.6Confident94 Ų9450.3 Ų50.349%0.49229%0.29SS..Hα-helixtrans-56.8-41.8-176.6179.364.1000112.9P167 I170 L211 V212P167-L208 HydrophobicContact CB-CD1 3.56Å; P167-L208 HydrophobicContact CG-CD1 3.91Å; I170-L208 HydrophobicContact CD1-CD1 4.14Å; L208-L211 WeakPolarHBondContact O-CB 3.5Å; L208-L211 PolarHBondContact O-N 2.85Å; L208-V212 HydrophobicContact CD1-CG2 4.46Å; L208-V212 WeakPolarHBondContact O-CG2 3.42Å; L208-V212 PolarHBondContact O-N 3.14Å
209P55.1Low77.1Confident31 Ų3153.3 Ų53.320%0.20131%0.307CS..Hα-helixtrans-69.2-40.7178.4-17.428.9000114.7N207 L211 V212 L213 L445N207-P209 WeakPolarHBondContact OD1-CD 3.38Å; P209-L211 PolarHBondContact O-N 3.4Å; P209-V212 WeakPolarHBondContact O-CB 3.32Å; P209-V212 PolarHBondContact O-N 3.36Å; P209-V212 VanDerWaalsContact O-N 3.13Å; P209-L213 PolarHBondContact O-N 3.29Å; P209-L445 HydrophobicContact CB-CB 3.65Å; P209-L445 HydrophobicContact CB-CD1 4.18Å; P209-L445 HydrophobicContact CB-CD2 4.38Å; P209-L445 HydrophobicContact CB-CG 4.29Å; P209-L445 HydrophobicContact CG-CB 4.32Å
210A61.8Low77Confident36 Ų3653.9 Ų53.930%0.29831%0.308SS..Hα-helixtrans-62-32.4173.300000111.5A205 N207 K214A205-A210 VanDerWaalsContact CB-C 3.44Å; A205-A210 HydrophobicContact CB-CB 3.6Å; N207-A210 PolarHBondContact O-N 3.49Å; N207-A210 WeakPolarHBondContact OD1-CB 3.39Å; N207-A210 PolarHBondContact OD1-N 3.4Å; A210-K214 WeakPolarHBondContact O-CB 3.48Å; A210-K214 PolarHBondContact O-N 3.42Å
211L73.3Confident76.9Confident4 Ų450.2 Ų50.22%0.02130%0.303CS..Hα-helixtrans-69-43.3174.1178.962.3000111.5P167 F203 A205 N207 L208 P209 K214 I215P167-L211 VanDerWaalsContact C-CD2 3.47Å; P167-L211 HydrophobicContact CB-CD2 3.65Å; P167-L211 HydrophobicContact CG-CD2 3.47Å; P167-L211 VanDerWaalsContact CG-CD2 3.47Å; P167-L211 WeakPolarHBondContact O-CD2 3.44Å; F203-L211 HydrophobicContact CB-CD1 3.56Å; F203-L211 VanDerWaalsContact O-CD1 3.3Å; F203-L211 WeakPolarHBondContact O-CD1 3.4Å; A205-L211 HydrophobicContact CB-CB 3.96Å; A205-L211 VanDerWaalsContact CB-N 3.3Å; N207-L211 WeakPolarHBondContact O-CB 3.34Å; N207-L211 PolarHBondContact O-N 3.22Å; L208-L211 WeakPolarHBondContact O-CB 3.5Å; L208-L211 PolarHBondContact O-N 2.85Å; P209-L211 PolarHBondContact O-N 3.4Å; L211-K214 PolarHBondContact O-N 2.92Å; L211-I215 HydrophobicContact CD1-CD1 4.19Å; L211-I215 HydrophobicContact CD1-CG1 4.42Å; L211-I215 HydrophobicContact CG-CD1 3.89Å; L211-I215 VanDerWaalsContact O-CG1 3.29Å; L211-I215 WeakPolarHBondContact O-CG1 3.42Å; L211-I215 PolarHBondContact O-N 3.46Å
212V74.8Confident76.8Confident35 Ų3553.3 Ų53.321%0.21233%0.331CS..Hα-helixtrans-58.2-48174.1166.70000110.5C175 L208 P209 K214 I215 M216C175-V212 HydrophobicContact CB-CG1 3.8Å; L208-V212 HydrophobicContact CD1-CG2 4.46Å; L208-V212 WeakPolarHBondContact O-CG2 3.42Å; L208-V212 PolarHBondContact O-N 3.14Å; P209-V212 WeakPolarHBondContact O-CB 3.32Å; P209-V212 PolarHBondContact O-N 3.36Å; P209-V212 VanDerWaalsContact O-N 3.13Å; V212-K214 VanDerWaalsContact C-N 3.3Å; V212-K214 PolarHBondContact O-N 3.24Å; V212-I215 WeakPolarHBondContact O-CB 3.17Å; V212-I215 PolarHBondContact O-N 2.99Å; V212-M216 HydrophobicContact CG1-CG 4.16Å; V212-M216 WeakPolarHBondContact O-CB 3.29Å; V212-M216 WeakPolarHBondContact O-CG 3.48Å; V212-M216 PolarHBondContact O-N 3.29Å
213L63.6Low76.9Confident66 Ų6653.7 Ų53.735%0.34633%0.332SS..Hα-helixtrans-59.2-41.7177-69.9175.6000112.2P209 M216 S217 E442 L445P209-L213 PolarHBondContact O-N 3.29Å; L213-M216 PolarHBondContact O-N 2.94Å; L213-S217 WeakPolarHBondContact O-CB 3.4Å; L213-S217 PolarHBondContact O-N 3.28Å; L213-S217 PolarHBondContact O-OG 3.37Å; L213-E442 HydrophobicContact CD2-CB 4.3Å; L213-E442 HydrophobicContact CD2-CG 3.93Å; L213-L445 HydrophobicContact CD2-CD1 4.46Å; L213-L445 HydrophobicContact CG-CD1 4.49Å
214K77.9Confident77Confident75 Ų7556.1 Ų56.133%0.32635%0.349SS..Hα-helixtrans-68.1-33.8177.8-165.4174.3176.2169.10113.1F203 E204 A210 L211 V212 S217 G218F203-K214 HydrophobicContact CD1-CG 4.23Å; F203-K214 WeakPolarHBondContact CD1-O 3.47Å; F203-K214 WeakPolarHBondContact CE1-O 3.32Å; E204-K214 VanDerWaalsContact O-CD 3.23Å; E204-K214 WeakPolarHBondContact O-CD 3.38Å; E204-K214 PolarHBondContact O-NZ 2.94Å; A210-K214 WeakPolarHBondContact O-CB 3.48Å; A210-K214 PolarHBondContact O-N 3.42Å; L211-K214 PolarHBondContact O-N 2.92Å; V212-K214 VanDerWaalsContact C-N 3.3Å; V212-K214 PolarHBondContact O-N 3.24Å; K214-S217 WeakPolarHBondContact CA-OG 3.4Å; K214-S217 PolarHBondContact O-OG 2.89Å; K214-G218 PolarHBondContact O-N 3.42Å
215I83.9Confident77.5Confident0 Ų057.5 Ų57.50%036%0.36CS..Hα-helixtrans-66.2-47.7171.2-72.8161.9000109.5I170 P172 W187 F203 L211 V212 S217 G218 L241I170-I215 HydrophobicContact CB-CD1 4.18Å; I170-I215 WeakPolarHBondContact O-CD1 3.45Å; P172-I215 HydrophobicContact CB-CG2 4.47Å; P172-I215 HydrophobicContact CG-CG2 3.91Å; W187-I215 HydrophobicContact CH2-CG2 4.36Å; W187-I215 HydrophobicContact CZ2-CG2 3.78Å; F203-I215 HydrophobicContact CB-CD1 4.49Å; F203-I215 HydrophobicContact CB-CG1 3.74Å; F203-I215 HydrophobicContact CD1-CG1 4.06Å; F203-I215 HydrophobicContact CD2-CG1 4.06Å; F203-I215 HydrophobicContact CG-CG1 3.67Å; L211-I215 HydrophobicContact CD1-CD1 4.19Å; L211-I215 HydrophobicContact CD1-CG1 4.42Å; L211-I215 HydrophobicContact CG-CD1 3.89Å; L211-I215 VanDerWaalsContact O-CG1 3.29Å; L211-I215 WeakPolarHBondContact O-CG1 3.42Å; L211-I215 PolarHBondContact O-N 3.46Å; V212-I215 WeakPolarHBondContact O-CB 3.17Å; V212-I215 PolarHBondContact O-N 2.99Å; I215-S217 VanDerWaalsContact C-N 3.34Å; I215-S217 PolarHBondContact O-N 3Å; I215-G218 PolarHBondContact O-N 3.35Å; I215-L241 WeakPolarHBondContact O-CD2 3.49Å
216M80.5Confident78.5Confident59 Ų5961.7 Ų61.729%0.29137%0.367SS..Hα-helixtrans-68.3-28.8-177.4-69.5-54.7-64.800113.4P172 C175 E176 V212 L213 G218 L241P172-M216 HydrophobicContact CB-SD 3.83Å; C175-M216 HydrophobicContact CB-CG 4.18Å; C175-M216 HydrophobicContact CB-SD 3.72Å; E176-M216 HydrophobicContact CG-CE 3.53Å; E176-M216 HydrophobicContact CG-SD 4.12Å; E176-M216 VanDerWaalsContact OE1-CE 3.27Å; E176-M216 WeakPolarHBondContact OE1-CE 3.46Å; V212-M216 HydrophobicContact CG1-CG 4.16Å; V212-M216 WeakPolarHBondContact O-CB 3.29Å; V212-M216 WeakPolarHBondContact O-CG 3.48Å; V212-M216 PolarHBondContact O-N 3.29Å; L213-M216 PolarHBondContact O-N 2.94Å; M216-G218 VanDerWaalsContact C-N 3.26Å; M216-L241 WeakPolarHBondContact O-CD1 3.42Å
217S81.8Confident80.1Confident59 Ų5956.9 Ų56.941%0.41333%0.327SS..THydrogen-bonded Turntrans-73.7-19.4171.264.40000112.8L213 K214 I215 T219L213-S217 WeakPolarHBondContact O-CB 3.4Å; L213-S217 PolarHBondContact O-N 3.28Å; L213-S217 PolarHBondContact O-OG 3.37Å; K214-S217 WeakPolarHBondContact CA-OG 3.4Å; K214-S217 PolarHBondContact O-OG 2.89Å; I215-S217 VanDerWaalsContact C-N 3.34Å; I215-S217 PolarHBondContact O-N 3Å; S217-T219 PolarHBondContact O-N 3.49Å; S217-T219 PolarHBondContact OG-N 3.12Å; S217-T219 PolarHBondContact OG-OG1 2.91Å
218G83.2Confident82Confident23 Ų2354 Ų5424%0.23731%0.313CS..THydrogen-bonded Turntrans66.117.1-174.900000113.4K214 I215 M216K214-G218 PolarHBondContact O-N 3.42Å; I215-G218 PolarHBondContact O-N 3.35Å; M216-G218 VanDerWaalsContact C-N 3.26Å
219T84.3Confident83.6Confident84 Ų8453.3 Ų53.352%0.51531%0.314SS..  trans-98121.5-175.156.10000111.6S217S217-T219 PolarHBondContact O-N 3.49Å; S217-T219 PolarHBondContact OG-N 3.12Å; S217-T219 PolarHBondContact OG-OG1 2.91Å
220F91.4Very high85.5Confident36 Ų3657.1 Ų57.116%0.15833%0.33CS..  trans-140.1162.4175.356.3-93.1000110.5Y194 A202 F203 I223 L236 L239Y194-F220 AromaticContact CD2-CD2 3.81Å; Y194-F220 HydrophobicContact CD2-CD2 3.81Å; Y194-F220 AromaticContact CD2-CE2 3.77Å; Y194-F220 HydrophobicContact CD2-CE2 3.77Å; Y194-F220 AromaticContact CE2-CD2 3.3Å; Y194-F220 HydrophobicContact CE2-CD2 3.3Å; Y194-F220 AromaticContact CE2-CE2 3.62Å; Y194-F220 HydrophobicContact CE2-CE2 3.62Å; Y194-F220 HydrophobicContact CE2-CG 4.36Å; Y194-F220 AromaticContact CZ-CD2 3.95Å; A202-F220 HydrophobicContact CB-CB 4.4Å; A202-F220 WeakPolarHBondContact O-CB 3.44Å; F203-F220 HydrophobicContact CE1-CB 4.2Å; F203-F220 AromaticContact CE1-CD1 3.9Å; F203-F220 HydrophobicContact CE1-CD1 3.9Å; F203-F220 AromaticContact CZ-CD1 3.7Å; F203-F220 HydrophobicContact CZ-CD1 3.7Å; F203-F220 HydrophobicContact CZ-CE1 4.35Å; F220-I223 HydrophobicContact CE2-CD1 4.45Å; F220-L236 HydrophobicContact CE1-CD2 4.43Å; F220-L236 HydrophobicContact CE2-CD2 4.37Å; F220-L236 HydrophobicContact CZ-CD2 3.67Å; F220-L239 HydrophobicContact CD1-CD1 4.22Å; F220-L239 HydrophobicContact CE1-CB 3.98Å; F220-L239 HydrophobicContact CE1-CD1 3.64Å; F220-L239 HydrophobicContact CE1-CG 4.48Å; F220-L239 HydrophobicContact CE2-CD1 4.25Å; F220-L239 HydrophobicContact CZ-CB 4.33Å; F220-L239 HydrophobicContact CZ-CD1 3.64Å
221A87.8Confident87.2Confident58 Ų5855.4 Ų55.448%0.47932%0.315SS..PPolyproline II helixtrans-63.6139.2-176.100000110.6Y194Y194-A221 WeakPolarHBondContact CE2-O 3.5Å; Y194-A221 PolarHBondContact OH-O 3.17Å
222P89.9Confident88.4Confident123 Ų12358.3 Ų58.380%0.79933%0.326SS*.PPolyproline II helixtrans-60.3142.1-17724.5-33.5000111.2
223I93.4Very high89.4Confident13 Ų1361.3 Ų61.37%0.06734%0.338CS..PPolyproline II helixtrans-71.9141.7175.8-58147.1000108.1Y194 A197 F220 D225 Y227 R232 I235Y194-I223 HydrophobicContact CD2-CD1 4.35Å; Y194-I223 HydrophobicContact CD2-CG1 3.85Å; Y194-I223 HydrophobicContact CE2-CG1 3.75Å; A197-I223 HydrophobicContact CB-CG2 4.25Å; F220-I223 HydrophobicContact CE2-CD1 4.45Å; I223-D225 PolarHBondContact O-N 3.05Å; I223-Y227 HydrophobicContact CG2-CD2 3.86Å; I223-R232 HydrophobicContact CB-CG 4.04Å; I223-R232 HydrophobicContact CD1-CB 4.38Å; I223-R232 HydrophobicContact CD1-CG 4.38Å; I223-R232 HydrophobicContact CG2-CG 3.86Å; I223-I235 HydrophobicContact CD1-CB 3.8Å; I223-I235 HydrophobicContact CD1-CD1 3.67Å; I223-I235 HydrophobicContact CD1-CG1 4.33Å; I223-I235 HydrophobicContact CD1-CG2 3.76Å; I223-I235 HydrophobicContact CG1-CD1 4.27Å
224S93.2Very high91Very high50 Ų5058.3 Ų58.335%0.3532%0.322SS..PPolyproline II helixtrans-54.4135.1-178-178.30000112.3R226 Y227S224-R226 PolarHBondContact O-N 3.23Å; S224-R226 VanDerWaalsContact O-N 3.08Å; S224-R226 WeakPolarHBondContact OG-CG 3.46Å; S224-R226 PolarHBondContact OG-N 3.11Å; S224-Y227 WeakPolarHBondContact O-CD2 3.46Å; S224-Y227 PolarHBondContact O-N 3.34Å
225D93.1Very high92Very high130 Ų13054.7 Ų54.770%0.69531%0.306SS*.THydrogen-bonded Turntrans-65.6-7.3177.2-66.2-48.9000114I223 Y227 R232I223-D225 PolarHBondContact O-N 3.05Å; D225-Y227 PolarHBondContact O-N 3.21Å; D225-R232 IonicContact OD1-CZ 3.5Å; D225-R232 IonicContact OD1-NH1 3.09Å; D225-R232 PolarHBondContact OD1-NH1 3.27Å
226R94.9Very high92.6Very high125 Ų12558.5 Ų58.547%0.47233%0.326SS..THydrogen-bonded Turntrans-66.1-22.1172.777.6-176.8-70.9-104.40.1113L100 D101 S224L100-R226 PolarHBondContact O-NH1 3.48Å; D101-R226 IonicContact OD1-NH2 2.83Å; D101-R226 PolarHBondContact OD1-NH2 2.85Å; S224-R226 PolarHBondContact O-N 3.23Å; S224-R226 VanDerWaalsContact O-N 3.08Å; S224-R226 WeakPolarHBondContact OG-CG 3.46Å; S224-R226 PolarHBondContact OG-N 3.11Å
227Y97.1Very high93.4Very high6 Ų658.4 Ų58.42%0.02433%0.327CS..SBendtrans-89.9151.2-178.5-64.5-63.6000111.7L99 L100 E102 I105 A197 I223 S224 D225 L231 R232L99-Y227 HydrophobicContact CD1-CE2 4.49Å; L100-Y227 WeakPolarHBondContact O-CE1 3.45Å; L100-Y227 PolarHBondContact O-OH 2.95Å; E102-Y227 HydrophobicContact CB-CD1 4.13Å; E102-Y227 HydrophobicContact CB-CE1 4.43Å; E102-Y227 HydrophobicContact CG-CD1 4.49Å; E102-Y227 WeakPolarHBondContact OE2-CA 3.01Å; I105-Y227 HydrophobicContact CD1-CD1 4.36Å; I105-Y227 HydrophobicContact CD1-CE1 3.5Å; A197-Y227 HydrophobicContact CB-CE2 4.18Å; A197-Y227 WeakPolarHBondContact O-CE2 3.19Å; A197-Y227 PolarHBondContact O-OH 3.01Å; I223-Y227 HydrophobicContact CG2-CD2 3.86Å; S224-Y227 WeakPolarHBondContact O-CD2 3.46Å; S224-Y227 PolarHBondContact O-N 3.34Å; D225-Y227 PolarHBondContact O-N 3.21Å; Y227-L231 HydrophobicContact CD1-CD2 3.92Å; Y227-L231 HydrophobicContact CG-CD2 4.05Å; Y227-R232 PolarHBondContact O-NE 3.42Å
228S97.1Very high94.2Very high26 Ų2655.6 Ų55.618%0.18231%0.307CS..  trans-56.5145.7179.868.50000112E102 E230 L231 R232E102-S228 VanDerWaalsContact CD-OG 3.31Å; E102-S228 WeakPolarHBondContact OE1-CB 3.2Å; E102-S228 PolarHBondContact OE1-OG 3.02Å; E102-S228 PolarHBondContact OE2-N 2.84Å; E102-S228 PolarHBondContact OE2-OG 3.43Å; S228-E230 WeakPolarHBondContact CB-OE2 3.39Å; S228-E230 PolarHBondContact O-N 3.3Å; S228-L231 PolarHBondContact O-N 3.07Å; S228-L231 WeakPolarHBondContact OG-CB 3.49Å; S228-L231 PolarHBondContact OG-N 3.35Å; S228-L231 VanDerWaalsContact OG-N 3.17Å; S228-R232 PolarHBondContact O-N 3.24Å
229P96.6Very high94.9Very high80 Ų8054.9 Ų54.952%0.51930%0.298SS..Hα-helixtrans-53-34.7171.2-25.234.2000112.5R232 Q233P229-R232 PolarHBondContact O-N 2.96Å; P229-Q233 VanDerWaalsContact O-CB 3.31Å; P229-Q233 WeakPolarHBondContact O-CB 3.47Å; P229-Q233 PolarHBondContact O-N 3.28Å
230E96.5Very high95.5Very high111 Ų11153.3 Ų53.352%0.51929%0.287SS..Hα-helixtrans-63-45.6179-64.975.4-166.900111.8S228 Q233 L234 I257S228-E230 WeakPolarHBondContact CB-OE2 3.39Å; S228-E230 PolarHBondContact O-N 3.3Å; E230-Q233 PolarHBondContact O-N 3.4Å; E230-L234 WeakPolarHBondContact O-CB 3.36Å; E230-L234 PolarHBondContact O-N 3.46Å; E230-I257 HydrophobicContact CB-CB 4.18Å; E230-I257 HydrophobicContact CB-CD1 3.94Å
231L97.2Very high95.5Very high0 Ų055 Ų550%030%0.297CS..Hα-helixtrans-64.5-45.5177179.458.2000111.1E102 L106 L193 Y227 S228 Q233 L234 I235 I257E102-L231 HydrophobicContact CG-CD2 4.04Å; L106-L231 HydrophobicContact CD2-CD1 4.28Å; L193-L231 HydrophobicContact CD1-CD1 4.14Å; L193-L231 HydrophobicContact CD2-CD1 3.96Å; L193-L231 HydrophobicContact CG-CD1 4.28Å; Y227-L231 HydrophobicContact CD1-CD2 3.92Å; Y227-L231 HydrophobicContact CG-CD2 4.05Å; S228-L231 PolarHBondContact O-N 3.07Å; S228-L231 WeakPolarHBondContact OG-CB 3.49Å; S228-L231 PolarHBondContact OG-N 3.35Å; S228-L231 VanDerWaalsContact OG-N 3.17Å; L231-Q233 VanDerWaalsContact C-N 3.33Å; L231-Q233 PolarHBondContact O-N 2.87Å; L231-L234 PolarHBondContact O-N 3.17Å; L231-I235 HydrophobicContact CD1-CD1 4.29Å; L231-I235 HydrophobicContact CG-CD1 4.21Å; L231-I235 WeakPolarHBondContact O-CG1 3.31Å; L231-I235 PolarHBondContact O-N 3.13Å; L231-I235 VanDerWaalsContact O-N 3.08Å; L231-I257 HydrophobicContact CB-CD1 3.63Å; L231-I257 HydrophobicContact CD1-CD1 4.39Å
232R97.4Very high95.7Very high66 Ų6655 Ų5525%0.24929%0.288CS..Hα-helixtrans-61.6-43.5180-67.5-172.6-73.1167.2-8.6111.4I223 D225 Y227 S228 P229 I235 L236I223-R232 HydrophobicContact CB-CG 4.04Å; I223-R232 HydrophobicContact CD1-CB 4.38Å; I223-R232 HydrophobicContact CD1-CG 4.38Å; I223-R232 HydrophobicContact CG2-CG 3.86Å; D225-R232 IonicContact OD1-CZ 3.5Å; D225-R232 IonicContact OD1-NH1 3.09Å; D225-R232 PolarHBondContact OD1-NH1 3.27Å; Y227-R232 PolarHBondContact O-NE 3.42Å; S228-R232 PolarHBondContact O-N 3.24Å; P229-R232 PolarHBondContact O-N 2.96Å; R232-I235 PolarHBondContact O-N 3.5Å; R232-L236 WeakPolarHBondContact O-CG 3.44Å; R232-L236 PolarHBondContact O-N 3.43Å; R232-L236 VanDerWaalsContact O-N 3.11Å
233Q97Very high95.9Very high98 Ų9850.6 Ų50.646%0.45826%0.26SS..Hα-helixtrans-67.3-38.3178-168.960.352.600112.2P229 E230 L231 I235 L236 N237P229-Q233 VanDerWaalsContact O-CB 3.31Å; P229-Q233 WeakPolarHBondContact O-CB 3.47Å; P229-Q233 PolarHBondContact O-N 3.28Å; E230-Q233 PolarHBondContact O-N 3.4Å; L231-Q233 VanDerWaalsContact C-N 3.33Å; L231-Q233 PolarHBondContact O-N 2.87Å; Q233-I235 PolarHBondContact O-N 3.4Å; Q233-L236 PolarHBondContact O-N 2.88Å; Q233-N237 PolarHBondContact NE2-OD1 2.89Å; Q233-N237 WeakPolarHBondContact O-CB 3.35Å; Q233-N237 PolarHBondContact O-N 3.09Å; Q233-N237 PolarHBondContact O-ND2 3.29Å; Q233-N237 PolarHBondContact O-OD1 3.48Å
234L97.6Very high95.9Very high2 Ų254.1 Ų54.11%0.0129%0.286CS..Hα-helixtrans-59.9-45.5174.9171.254.8000111.6F109 L193 E230 L231 L236 N237 M238 I252 L255 I257F109-L234 HydrophobicContact CE1-CD2 3.86Å; F109-L234 HydrophobicContact CZ-CD2 4.12Å; L193-L234 HydrophobicContact CD2-CD2 4.12Å; L193-L234 HydrophobicContact CD2-CG 4.11Å; E230-L234 WeakPolarHBondContact O-CB 3.36Å; E230-L234 PolarHBondContact O-N 3.46Å; L231-L234 PolarHBondContact O-N 3.17Å; L234-L236 PolarHBondContact O-N 2.92Å; L234-N237 PolarHBondContact O-N 3.31Å; L234-M238 HydrophobicContact CD1-CE 4.09Å; L234-M238 HydrophobicContact CD1-CG 4.21Å; L234-M238 HydrophobicContact CD1-SD 4.36Å; L234-M238 HydrophobicContact CG-CE 4.04Å; L234-M238 PolarHBondContact O-N 3.11Å; L234-M238 VanDerWaalsContact O-N 3.09Å; L234-I252 HydrophobicContact CD1-CG1 4.38Å; L234-I252 HydrophobicContact CD1-CG2 3.98Å; L234-L255 HydrophobicContact CD1-CD1 3.64Å; L234-L255 HydrophobicContact CD2-CD1 4.35Å; L234-L255 HydrophobicContact CG-CD1 4.39Å; L234-I257 HydrophobicContact CD2-CG2 4.18Å
235I97.9Very high96.1Very high0 Ų058.4 Ų58.40%030%0.298CS..Hα-helixtrans-59.8-47.3176-66.1164.1000110.8L193 Y194 A197 I223 L231 R232 Q233 N237 M238 L239L193-I235 HydrophobicContact CB-CG1 4.27Å; L193-I235 HydrophobicContact CD2-CD1 4.35Å; L193-I235 HydrophobicContact CD2-CG1 3.53Å; L193-I235 HydrophobicContact CG-CD1 4.06Å; L193-I235 HydrophobicContact CG-CG1 3.64Å; Y194-I235 HydrophobicContact CD2-CG2 4.1Å; A197-I235 HydrophobicContact CB-CD1 4.09Å; I223-I235 HydrophobicContact CD1-CB 3.8Å; I223-I235 HydrophobicContact CD1-CD1 3.67Å; I223-I235 HydrophobicContact CD1-CG1 4.33Å; I223-I235 HydrophobicContact CD1-CG2 3.76Å; I223-I235 HydrophobicContact CG1-CD1 4.27Å; L231-I235 HydrophobicContact CD1-CD1 4.29Å; L231-I235 HydrophobicContact CG-CD1 4.21Å; L231-I235 WeakPolarHBondContact O-CG1 3.31Å; L231-I235 PolarHBondContact O-N 3.13Å; L231-I235 VanDerWaalsContact O-N 3.08Å; R232-I235 PolarHBondContact O-N 3.5Å; Q233-I235 PolarHBondContact O-N 3.4Å; I235-N237 VanDerWaalsContact C-N 3.32Å; I235-N237 PolarHBondContact O-N 2.98Å; I235-M238 PolarHBondContact O-N 3.37Å; I235-L239 HydrophobicContact CG2-CD1 3.85Å; I235-L239 HydrophobicContact CG2-CG 4.41Å; I235-L239 WeakPolarHBondContact O-CB 3.1Å; I235-L239 WeakPolarHBondContact O-CG 3.33Å; I235-L239 PolarHBondContact O-N 3.49Å
236L96.9Very high96.3Very high79 Ų7952.3 Ų52.341%0.41427%0.266SS..Hα-helixtrans-61.5-38.2178.3-70.3166.9000112.7F220 R232 Q233 L234 L239 N240F220-L236 HydrophobicContact CE1-CD2 4.43Å; F220-L236 HydrophobicContact CE2-CD2 4.37Å; F220-L236 HydrophobicContact CZ-CD2 3.67Å; R232-L236 WeakPolarHBondContact O-CG 3.44Å; R232-L236 PolarHBondContact O-N 3.43Å; R232-L236 VanDerWaalsContact O-N 3.11Å; Q233-L236 PolarHBondContact O-N 2.88Å; L234-L236 PolarHBondContact O-N 2.92Å; L236-L239 CarbonylContact O-C 3.56Å; L236-L239 PolarHBondContact O-N 3.3Å; L236-N240 PolarHBondContact O-N 3.49Å
237N97.6Very high96.4Very high57 Ų5747.2 Ų47.231%0.30525%0.249SC..Hα-helixtrans-67-38.4178-70.6-11.6000112.1Q233 L234 I235 P247Q233-N237 PolarHBondContact NE2-OD1 2.89Å; Q233-N237 WeakPolarHBondContact O-CB 3.35Å; Q233-N237 PolarHBondContact O-N 3.09Å; Q233-N237 PolarHBondContact O-ND2 3.29Å; Q233-N237 PolarHBondContact O-OD1 3.48Å; L234-N237 PolarHBondContact O-N 3.31Å; I235-N237 VanDerWaalsContact C-N 3.32Å; I235-N237 PolarHBondContact O-N 2.98Å; N237-P247 HydrophobicContact CB-CG 4.35Å; N237-P247 WeakPolarHBondContact O-CD 3.34Å
238M98.1Very high96.3Very high0 Ų051.6 Ų51.60%027%0.269CS..Hα-helixtrans-72.6-35175.5-68.3-168.6-72.700112.4F109 I186 L189 L193 L234 I235 N240 R246 P247 I252F109-M238 HydrophobicContact CE2-CE 3.77Å; F109-M238 HydrophobicContact CE2-SD 4.16Å; F109-M238 HydrophobicContact CZ-CE 3.88Å; F109-M238 HydrophobicContact CZ-SD 4.08Å; I186-M238 HydrophobicContact CG2-CB 4.14Å; I186-M238 HydrophobicContact CG2-CG 3.91Å; I186-M238 HydrophobicContact CG2-SD 4.45Å; L189-M238 HydrophobicContact CB-SD 4.46Å; L189-M238 HydrophobicContact CD2-SD 4.08Å; L189-M238 HydrophobicContact CG-SD 3.99Å; L193-M238 HydrophobicContact CB-CE 3.95Å; L193-M238 HydrophobicContact CD2-CE 3.29Å; L193-M238 HydrophobicContact CG-CE 4.24Å; L234-M238 HydrophobicContact CD1-CE 4.09Å; L234-M238 HydrophobicContact CD1-CG 4.21Å; L234-M238 HydrophobicContact CD1-SD 4.36Å; L234-M238 HydrophobicContact CG-CE 4.04Å; L234-M238 PolarHBondContact O-N 3.11Å; L234-M238 VanDerWaalsContact O-N 3.09Å; I235-M238 PolarHBondContact O-N 3.37Å; M238-N240 PolarHBondContact O-N 2.93Å; M238-R246 WeakPolarHBondContact O-CD 3.24Å; M238-P247 HydrophobicContact CG-CG 4.43Å; M238-I252 HydrophobicContact CG-CD1 4.16Å; M238-I252 HydrophobicContact SD-CD1 3.95Å
239L97.3Very high96.2Very high8 Ų850.8 Ų50.84%0.04226%0.263CS..THydrogen-bonded Turntrans-87.729.1176.9-62-177.6000113.1W187 A202 F203 F220 I235 L236W187-L239 HydrophobicContact CD2-CD2 4.02Å; W187-L239 HydrophobicContact CE3-CD2 4.19Å; W187-L239 HydrophobicContact CZ2-CD2 4.39Å; W187-L239 VanDerWaalsContact CZ3-C 3.44Å; W187-L239 HydrophobicContact CZ3-CB 4.31Å; W187-L239 HydrophobicContact CZ3-CD2 4.47Å; W187-L239 VanDerWaalsContact CZ3-O 3.31Å; W187-L239 WeakPolarHBondContact CZ3-O 3.47Å; A202-L239 HydrophobicContact CB-CD1 4.29Å; F203-L239 HydrophobicContact CE2-CD1 4.4Å; F203-L239 HydrophobicContact CE2-CD2 4.19Å; F220-L239 HydrophobicContact CD1-CD1 4.22Å; F220-L239 HydrophobicContact CE1-CB 3.98Å; F220-L239 HydrophobicContact CE1-CD1 3.64Å; F220-L239 HydrophobicContact CE1-CG 4.48Å; F220-L239 HydrophobicContact CE2-CD1 4.25Å; F220-L239 HydrophobicContact CZ-CB 4.33Å; F220-L239 HydrophobicContact CZ-CD1 3.64Å; I235-L239 HydrophobicContact CG2-CD1 3.85Å; I235-L239 HydrophobicContact CG2-CG 4.41Å; I235-L239 WeakPolarHBondContact O-CB 3.1Å; I235-L239 WeakPolarHBondContact O-CG 3.33Å; I235-L239 PolarHBondContact O-N 3.49Å; L236-L239 CarbonylContact O-C 3.56Å; L236-L239 PolarHBondContact O-N 3.3Å
240N96.9Very high96.1Very high52 Ų5250.8 Ų50.828%0.27826%0.259SS..  trans-74.8133.8174.4-159.2-65.5000110.7L236 M238 D242 K245 R246L236-N240 PolarHBondContact O-N 3.49Å; M238-N240 PolarHBondContact O-N 2.93Å; N240-D242 VanDerWaalsContact C-N 3.27Å; N240-D242 PolarHBondContact O-N 3.26Å; N240-D242 PolarHBondContact OD1-N 3.09Å; N240-D242 VanDerWaalsContact OD1-N 3.08Å; N240-K245 HydrophobicContact CB-CB 4.42Å; N240-R246 HydrophobicContact CB-CG 4.02Å; N240-R246 PolarHBondContact O-NE 3.32Å; N240-R246 PolarHBondContact O-NH2 3.43Å
241L92.3Very high96Very high70 Ų7050.2 Ų50.237%0.36626%0.256SS..SBendtrans-59.9-39.9179.1-67.6178.1000112.1P172 W187 I215 M216 P243 R246P172-L241 HydrophobicContact CB-CD2 4.26Å; P172-L241 HydrophobicContact CG-CD2 3.69Å; W187-L241 HydrophobicContact CH2-CD2 4.24Å; W187-L241 HydrophobicContact CZ3-CD2 4.43Å; I215-L241 WeakPolarHBondContact O-CD2 3.49Å; M216-L241 WeakPolarHBondContact O-CD1 3.42Å; L241-P243 VanDerWaalsContact O-CD 3.31Å; L241-P243 WeakPolarHBondContact O-CD 3.21Å; L241-R246 PolarHBondContact O-NH2 3.46Å; L241-R246 VanDerWaalsContact O-NH2 3.15Å
242D92.5Very high96Very high58 Ų5850.2 Ų50.231%0.3126%0.256SS..SBendtrans-80.3114.4178.3-177.4-11.7000110.6N240 S244 K245N240-D242 VanDerWaalsContact C-N 3.27Å; N240-D242 PolarHBondContact O-N 3.26Å; N240-D242 PolarHBondContact OD1-N 3.09Å; N240-D242 VanDerWaalsContact OD1-N 3.08Å; D242-S244 PolarHBondContact O-N 3.1Å; D242-S244 VanDerWaalsContact O-N 3.15Å; D242-S244 VanDerWaalsContact OD1-CB 3.32Å; D242-S244 WeakPolarHBondContact OD1-CB 3.21Å; D242-S244 PolarHBondContact OD1-N 3.37Å; D242-S244 PolarHBondContact OD1-OG 3Å; D242-S244 PolarHBondContact OD2-OG 3.37Å; D242-S244 VanDerWaalsContact OD2-OG 3.07Å; D242-K245 HydrophobicContact CB-CB 4.32Å; D242-K245 HydrophobicContact CB-CD 4.01Å; D242-K245 HydrophobicContact CB-CG 4.05Å; D242-K245 PolarHBondContact O-N 3.19Å; D242-K245 VanDerWaalsContact O-N 3.1Å; D242-K245 WeakPolarHBondContact OD2-CE 3.17Å
243P93.1Very high95.8Very high32 Ų3248.7 Ų48.721%0.20825%0.252CS..THydrogen-bonded Turntrans-60.4-26.8-179.6-20.632.2000113.3E173 K183 L241 K245 R246E173-P243 HydrophobicContact CB-CG 4.16Å; E173-P243 HydrophobicContact CG-CG 4.3Å; K183-P243 HydrophobicContact CB-CB 3.9Å; K183-P243 HydrophobicContact CG-CB 4.36Å; K183-P243 WeakPolarHBondContact CG-O 3.3Å; K183-P243 PolarHBondContact NZ-O 3.21Å; L241-P243 VanDerWaalsContact O-CD 3.31Å; L241-P243 WeakPolarHBondContact O-CD 3.21Å; P243-K245 VanDerWaalsContact C-N 3.3Å; P243-K245 PolarHBondContact O-N 3.18Å; P243-R246 PolarHBondContact O-N 2.96Å
244S94.3Very high95.6Very high87 Ų8747.1 Ų47.161%0.60826%0.256SS*.THydrogen-bonded Turntrans-68.5-31.8179.5730000112K183 D242K183-S244 PolarHBondContact NZ-O 2.82Å; D242-S244 PolarHBondContact O-N 3.1Å; D242-S244 VanDerWaalsContact O-N 3.15Å; D242-S244 VanDerWaalsContact OD1-CB 3.32Å; D242-S244 WeakPolarHBondContact OD1-CB 3.21Å; D242-S244 PolarHBondContact OD1-N 3.37Å; D242-S244 PolarHBondContact OD1-OG 3Å; D242-S244 PolarHBondContact OD2-OG 3.37Å; D242-S244 VanDerWaalsContact OD2-OG 3.07Å
245K96.4Very high95.5Very high139 Ų13949.7 Ų49.760%0.60427%0.269SS*.THydrogen-bonded Turntrans-82.7-16.1180-63.9-176.8-174.3174.40114N240 D242 P243N240-K245 HydrophobicContact CB-CB 4.42Å; D242-K245 HydrophobicContact CB-CB 4.32Å; D242-K245 HydrophobicContact CB-CD 4.01Å; D242-K245 HydrophobicContact CB-CG 4.05Å; D242-K245 PolarHBondContact O-N 3.19Å; D242-K245 VanDerWaalsContact O-N 3.1Å; D242-K245 WeakPolarHBondContact OD2-CE 3.17Å; P243-K245 VanDerWaalsContact C-N 3.3Å; P243-K245 PolarHBondContact O-N 3.18Å
246R97.9Very high95.2Very high2 Ų254.7 Ų54.71%0.00830%0.302CS..SBendtrans-66.2134.2174.1-61.5180-158.7145.410.9109.4E173 K183 I186 M238 N240 L241 P243E173-R246 VanDerWaalsContact CD-NH1 3.28Å; E173-R246 IonicContact OE1-CZ 3.04Å; E173-R246 IonicContact OE1-NH1 2.71Å; E173-R246 PolarHBondContact OE1-NH1 3.38Å; E173-R246 IonicContact OE2-CZ 3.48Å; E173-R246 VanDerWaalsContact OE2-CZ 3.3Å; E173-R246 IonicContact OE2-NH1 2.83Å; E173-R246 PolarHBondContact OE2-NH1 2.96Å; E173-R246 IonicContact OE2-NH2 3.03Å; E173-R246 PolarHBondContact OE2-NH2 3.34Å; K183-R246 HydrophobicContact CD-CB 4.39Å; K183-R246 PolarHBondContact NZ-O 3.49Å; K183-R246 PolarHBondContact O-NH1 2.58Å; I186-R246 HydrophobicContact CG2-CB 4.17Å; M238-R246 WeakPolarHBondContact O-CD 3.24Å; N240-R246 HydrophobicContact CB-CG 4.02Å; N240-R246 PolarHBondContact O-NE 3.32Å; N240-R246 PolarHBondContact O-NH2 3.43Å; L241-R246 PolarHBondContact O-NH2 3.46Å; L241-R246 VanDerWaalsContact O-NH2 3.15Å; P243-R246 PolarHBondContact O-N 2.96Å
247P97.3Very high95.1Very high18 Ų1852 Ų5212%0.11729%0.288CS..PPolyproline II helixtrans-66.6152.7179.428.8-34.8000111.2N237 M238 E251 I252N237-P247 HydrophobicContact CB-CG 4.35Å; N237-P247 WeakPolarHBondContact O-CD 3.34Å; M238-P247 HydrophobicContact CG-CG 4.43Å; P247-E251 VanDerWaalsContact CA-OE2 3.27Å; P247-E251 WeakPolarHBondContact CA-OE2 3.48Å; P247-E251 HydrophobicContact CB-CB 4.21Å; P247-I252 HydrophobicContact CB-CG1 3.86Å; P247-I252 HydrophobicContact CG-CD1 3.98Å; P247-I252 HydrophobicContact CG-CG1 3.63Å
248Q94.9Very high94.9Very high98 Ų9849.2 Ų49.246%0.45827%0.273SS..PPolyproline II helixtrans-77.7159.4168.9-61-172.716.400110.7N250 E251 I252Q248-N250 VanDerWaalsContact C-N 3.3Å; Q248-N250 WeakPolarHBondContact CB-OD1 3.39Å; Q248-N250 PolarHBondContact O-N 2.78Å; Q248-E251 HydrophobicContact CB-CG 4.16Å; Q248-E251 PolarHBondContact N-OE2 3.39Å; Q248-E251 WeakPolarHBondContact O-CB 3.01Å; Q248-E251 PolarHBondContact O-N 2.86Å; Q248-I252 WeakPolarHBondContact O-CG1 3.4Å; Q248-I252 PolarHBondContact O-N 3.21Å
249L95.6Very high94.4Very high10 Ų1053 Ų535%0.05229%0.292CS..Hα-helixtrans-58.6-39.8-177.1-67.4173.2000113.2L113 L116 Y117 H120 I186 L189 E251 I252 M253L113-L249 HydrophobicContact CD1-CD2 3.52Å; L116-L249 HydrophobicContact CB-CD1 4.35Å; L116-L249 HydrophobicContact CD2-CD2 4.14Å; L116-L249 HydrophobicContact CG-CD1 4.17Å; L116-L249 HydrophobicContact CG-CD2 4.48Å; Y117-L249 HydrophobicContact CD2-CB 4.04Å; Y117-L249 HydrophobicContact CD2-CD1 4.46Å; H120-L249 HydrophobicContact CB-CD1 4.1Å; H120-L249 WeakPolarHBondContact ND1-CD1 3.48Å; I186-L249 HydrophobicContact CD1-CD2 3.4Å; I186-L249 HydrophobicContact CD1-CG 3.7Å; L189-L249 HydrophobicContact CD2-CD2 4.19Å; L249-E251 VanDerWaalsContact C-N 3.35Å; L249-I252 PolarHBondContact O-N 2.99Å; L249-M253 HydrophobicContact CB-CE 4.5Å; L249-M253 VanDerWaalsContact O-CG 3.32Å; L249-M253 WeakPolarHBondContact O-CG 3.46Å; L249-M253 PolarHBondContact O-N 3.29Å
250N93.4Very high93.8Very high80 Ų8061.2 Ų61.243%0.42832%0.323SS..Hα-helixtrans-63.5-37.9174.458.2-24.5000112.7Q248 M253 A254Q248-N250 VanDerWaalsContact C-N 3.3Å; Q248-N250 WeakPolarHBondContact CB-OD1 3.39Å; Q248-N250 PolarHBondContact O-N 2.78Å; N250-M253 HydrophobicContact CB-CE 4.46Å; N250-M253 PolarHBondContact O-N 3.01Å; N250-A254 WeakPolarHBondContact O-CB 3.28Å; N250-A254 PolarHBondContact O-N 2.99Å; N250-A254 VanDerWaalsContact O-N 3.11Å
251E95.3Very high93.4Very high99 Ų9959.5 Ų59.546%0.46331%0.314SS..Hα-helixtrans-66.9-41.9175.1-61.9171.4159.900110.8P247 Q248 L249 A254 L255P247-E251 VanDerWaalsContact CA-OE2 3.27Å; P247-E251 WeakPolarHBondContact CA-OE2 3.48Å; P247-E251 HydrophobicContact CB-CB 4.21Å; Q248-E251 HydrophobicContact CB-CG 4.16Å; Q248-E251 PolarHBondContact N-OE2 3.39Å; Q248-E251 WeakPolarHBondContact O-CB 3.01Å; Q248-E251 PolarHBondContact O-N 2.86Å; L249-E251 VanDerWaalsContact C-N 3.35Å; E251-A254 PolarHBondContact O-N 2.93Å; E251-L255 PolarHBondContact O-N 3.43Å
252I97Very high93.2Very high0 Ų057.1 Ų57.10%030%0.302CS..Hα-helixtrans-62.1-47.4175.1-61.4169.6000110.6F109 L113 I186 L234 M238 P247 Q248 L249 A254 L255F109-I252 HydrophobicContact CE1-CG2 3.88Å; F109-I252 HydrophobicContact CZ-CG2 3.88Å; L113-I252 HydrophobicContact CD1-CB 4.16Å; L113-I252 HydrophobicContact CD1-CD1 4.35Å; L113-I252 HydrophobicContact CD1-CG2 3.86Å; L113-I252 HydrophobicContact CD2-CB 4.44Å; L113-I252 HydrophobicContact CD2-CG2 3.78Å; I186-I252 HydrophobicContact CD1-CD1 4.42Å; I186-I252 HydrophobicContact CG2-CD1 4.34Å; L234-I252 HydrophobicContact CD1-CG1 4.38Å; L234-I252 HydrophobicContact CD1-CG2 3.98Å; M238-I252 HydrophobicContact CG-CD1 4.16Å; M238-I252 HydrophobicContact SD-CD1 3.95Å; P247-I252 HydrophobicContact CB-CG1 3.86Å; P247-I252 HydrophobicContact CG-CD1 3.98Å; P247-I252 HydrophobicContact CG-CG1 3.63Å; Q248-I252 WeakPolarHBondContact O-CG1 3.4Å; Q248-I252 PolarHBondContact O-N 3.21Å; L249-I252 PolarHBondContact O-N 2.99Å; I252-A254 PolarHBondContact O-N 3.23Å; I252-L255 HydrophobicContact CG2-CD1 4.49Å; I252-L255 VanDerWaalsContact O-CB 3.32Å; I252-L255 WeakPolarHBondContact O-CB 3.44Å; I252-L255 WeakPolarHBondContact O-CG 3.28Å; I252-L255 PolarHBondContact O-N 2.84Å
253M92.9Very high92.6Very high33 Ų3359.1 Ų59.116%0.16331%0.312CS..Hα-helixtrans-60.6-28.8178.5-74.4-174.1-70.400112.7L113 L114 Y117 L249 N250 L255 L262L113-M253 HydrophobicContact CD2-CB 4.35Å; L113-M253 HydrophobicContact CD2-CG 3.36Å; L113-M253 HydrophobicContact CG-CG 3.78Å; L114-M253 HydrophobicContact CD2-SD 4.06Å; Y117-M253 HydrophobicContact CD1-CE 3.9Å; Y117-M253 HydrophobicContact CD2-CE 3.34Å; Y117-M253 HydrophobicContact CE1-CE 4.17Å; Y117-M253 HydrophobicContact CE2-CE 3.66Å; Y117-M253 HydrophobicContact CG-CE 3.47Å; Y117-M253 VanDerWaalsContact CG-CE 3.47Å; Y117-M253 HydrophobicContact CG-SD 4.33Å; L249-M253 HydrophobicContact CB-CE 4.5Å; L249-M253 VanDerWaalsContact O-CG 3.32Å; L249-M253 WeakPolarHBondContact O-CG 3.46Å; L249-M253 PolarHBondContact O-N 3.29Å; N250-M253 HydrophobicContact CB-CE 4.46Å; N250-M253 PolarHBondContact O-N 3.01Å; M253-L255 VanDerWaalsContact C-N 3.31Å; M253-L262 HydrophobicContact CB-CD1 4.02Å; M253-L262 HydrophobicContact CG-CD1 4.17Å; M253-L262 WeakPolarHBondContact O-CD1 3.2Å
254A92.8Very high92Very high66 Ų6661 Ų6155%0.54532%0.321SS..THydrogen-bonded Turntrans-80.8-6177.700000114N250 E251 I252N250-A254 WeakPolarHBondContact O-CB 3.28Å; N250-A254 PolarHBondContact O-N 2.99Å; N250-A254 VanDerWaalsContact O-N 3.11Å; E251-A254 PolarHBondContact O-N 2.93Å; I252-A254 PolarHBondContact O-N 3.23Å
255L94.7Very high91.3Very high55 Ų5558.8 Ų58.829%0.28830%0.301SS..SBendtrans-69.2139179.3-66.7173.6000111.3L234 E251 I252 M253 I257 C258 I259L234-L255 HydrophobicContact CD1-CD1 3.64Å; L234-L255 HydrophobicContact CD2-CD1 4.35Å; L234-L255 HydrophobicContact CG-CD1 4.39Å; E251-L255 PolarHBondContact O-N 3.43Å; I252-L255 HydrophobicContact CG2-CD1 4.49Å; I252-L255 VanDerWaalsContact O-CB 3.32Å; I252-L255 WeakPolarHBondContact O-CB 3.44Å; I252-L255 WeakPolarHBondContact O-CG 3.28Å; I252-L255 PolarHBondContact O-N 2.84Å; M253-L255 VanDerWaalsContact C-N 3.31Å; L255-I257 HydrophobicContact CB-CG2 4.16Å; L255-I257 PolarHBondContact O-N 3.07Å; L255-I257 VanDerWaalsContact O-N 3.09Å; L255-C258 WeakPolarHBondContact O-CA 3.44Å; L255-C258 PolarHBondContact O-N 3.4Å; L255-I259 WeakPolarHBondContact O-CG1 3.49Å; L255-I259 PolarHBondContact O-N 3.3Å; L255-I259 VanDerWaalsContact O-N 3.16Å
256P92.3Very high89.8Confident105 Ų10558.6 Ų58.668%0.68230%0.298SS*.Hα-helixtrans-51.7-38-179-29.435.4000114.6C258 I259P256-C258 VanDerWaalsContact C-N 3.26Å; P256-C258 PolarHBondContact O-N 3.32Å; P256-I259 PolarHBondContact O-N 3.11Å
257I94.6Very high87.9Confident22 Ų2262 Ų6211%0.11332%0.319CS..Hα-helixtrans-64.1-28177.5-167.2172.6000113.1L106 E230 L231 L234 L255 P261L106-I257 HydrophobicContact CD1-CD1 4.08Å; L106-I257 HydrophobicContact CD1-CG1 3.64Å; L106-I257 HydrophobicContact CD2-CD1 4.03Å; L106-I257 HydrophobicContact CD2-CG1 3.92Å; L106-I257 HydrophobicContact CG-CG1 4.44Å; E230-I257 HydrophobicContact CB-CB 4.18Å; E230-I257 HydrophobicContact CB-CD1 3.94Å; L231-I257 HydrophobicContact CB-CD1 3.63Å; L231-I257 HydrophobicContact CD1-CD1 4.39Å; L234-I257 HydrophobicContact CD2-CG2 4.18Å; L255-I257 HydrophobicContact CB-CG2 4.16Å; L255-I257 PolarHBondContact O-N 3.07Å; L255-I257 VanDerWaalsContact O-N 3.09Å; I257-P261 WeakPolarHBondContact O-CD 3.39Å; I257-P261 WeakPolarHBondContact O-CG 3.27Å
258C92.8Very high85.6Confident0 Ų067.7 Ų67.70%035%0.349CS..Hα-helixtrans-90.5-27.1179.7-66.50000112.8V110 L255 P256 R260 P261 L262V110-C258 HydrophobicContact CG1-CB 4.48Å; L255-C258 WeakPolarHBondContact O-CA 3.44Å; L255-C258 PolarHBondContact O-N 3.4Å; P256-C258 VanDerWaalsContact C-N 3.26Å; P256-C258 PolarHBondContact O-N 3.32Å; C258-R260 PolarHBondContact O-N 3.17Å; C258-P261 WeakPolarHBondContact O-CD 3.39Å; C258-L262 HydrophobicContact CB-CD1 4.07Å; C258-L262 VanDerWaalsContact O-CB 3.23Å; C258-L262 WeakPolarHBondContact O-CB 3.44Å; C258-L262 WeakPolarHBondContact O-CD1 3.41Å; C258-L262 WeakPolarHBondContact O-CG 3.18Å; C258-L262 PolarHBondContact O-N 2.74Å
259I87.9Confident83.2Confident78 Ų7870.1 Ų70.140%0.436%0.363SS..Hα-helixtrans-58.3-50-175-67.7173.1000111.6L255 P256 L262 L263L255-I259 WeakPolarHBondContact O-CG1 3.49Å; L255-I259 PolarHBondContact O-N 3.3Å; L255-I259 VanDerWaalsContact O-N 3.16Å; P256-I259 PolarHBondContact O-N 3.11Å; I259-L262 PolarHBondContact O-N 3.15Å; I259-L263 HydrophobicContact CG2-CD1 3.77Å; I259-L263 HydrophobicContact CG2-CG 4.28Å; I259-L263 WeakPolarHBondContact O-CB 3.22Å; I259-L263 VanDerWaalsContact O-CG 3.26Å; I259-L263 WeakPolarHBondContact O-CG 3.4Å; I259-L263 PolarHBondContact O-N 2.88Å
260R84.7Confident80.4Confident182 Ų18272.1 Ų72.169%0.68739%0.386SS*.Hα-helixtrans-66.4-48.8-177.1177.7-179.9-175.3-176.5-2.4112.4C258 L262 L263 N264C258-R260 PolarHBondContact O-N 3.17Å; R260-L262 VanDerWaalsContact C-N 3.34Å; R260-L262 PolarHBondContact O-N 3.2Å; R260-L263 PolarHBondContact O-N 2.77Å; R260-N264 WeakPolarHBondContact O-CB 3.46Å; R260-N264 PolarHBondContact O-N 2.76Å; R260-N264 PolarHBondContact O-OD1 3.05Å
261P88.3Confident77.9Confident16 Ų1675.9 Ų75.910%0.10441%0.406CS..Hα-helixtrans-59.7-40173.9-24.332.7000113.5L106 V110 I257 C258 N264 L265L106-P261 HydrophobicContact CB-CB 4.18Å; L106-P261 HydrophobicContact CB-CG 3.77Å; L106-P261 HydrophobicContact CD1-CG 4.01Å; L106-P261 HydrophobicContact CG-CG 4.45Å; V110-P261 HydrophobicContact CG1-CB 3.96Å; V110-P261 HydrophobicContact CG2-CB 4.07Å; I257-P261 WeakPolarHBondContact O-CD 3.39Å; I257-P261 WeakPolarHBondContact O-CG 3.27Å; C258-P261 WeakPolarHBondContact O-CD 3.39Å; P261-N264 PolarHBondContact O-N 3.25Å; P261-L265 WeakPolarHBondContact O-CB 3.2Å; P261-L265 PolarHBondContact O-N 2.96Å
262L88Confident75.1Confident20 Ų2077 Ų7711%0.10542%0.42CS..Hα-helixtrans-61.1-49.1174.1-76.7166.7000111.1V110 L114 M253 C258 I259 R260 N264 L265 Y266V110-L262 HydrophobicContact CB-CD2 3.81Å; V110-L262 HydrophobicContact CB-CG 4.08Å; V110-L262 HydrophobicContact CG1-CD2 4.17Å; V110-L262 HydrophobicContact CG1-CG 3.91Å; L114-L262 HydrophobicContact CD1-CD2 3.91Å; L114-L262 HydrophobicContact CD2-CD2 3.99Å; L114-L262 HydrophobicContact CG-CD2 3.88Å; M253-L262 HydrophobicContact CB-CD1 4.02Å; M253-L262 HydrophobicContact CG-CD1 4.17Å; M253-L262 WeakPolarHBondContact O-CD1 3.2Å; C258-L262 HydrophobicContact CB-CD1 4.07Å; C258-L262 VanDerWaalsContact O-CB 3.23Å; C258-L262 WeakPolarHBondContact O-CB 3.44Å; C258-L262 WeakPolarHBondContact O-CD1 3.41Å; C258-L262 WeakPolarHBondContact O-CG 3.18Å; C258-L262 PolarHBondContact O-N 2.74Å; I259-L262 PolarHBondContact O-N 3.15Å; R260-L262 VanDerWaalsContact C-N 3.34Å; R260-L262 PolarHBondContact O-N 3.2Å; L262-N264 PolarHBondContact O-N 2.96Å; L262-L265 WeakPolarHBondContact O-CB 3.31Å; L262-L265 PolarHBondContact O-N 3.45Å; L262-Y266 WeakPolarHBondContact O-CD2 3.38Å; L262-Y266 PolarHBondContact O-N 2.82Å
263L81.4Confident72.1Confident99 Ų9986.6 Ų86.652%0.51846%0.461SS..Hα-helixtrans-58.9-48.2176.7-74.9173.6000111I259 R260 L265 Y266 T267I259-L263 HydrophobicContact CG2-CD1 3.77Å; I259-L263 HydrophobicContact CG2-CG 4.28Å; I259-L263 WeakPolarHBondContact O-CB 3.22Å; I259-L263 VanDerWaalsContact O-CG 3.26Å; I259-L263 WeakPolarHBondContact O-CG 3.4Å; I259-L263 PolarHBondContact O-N 2.88Å; R260-L263 PolarHBondContact O-N 2.77Å; L263-L265 PolarHBondContact O-N 3.03Å; L263-Y266 CarbonylContact O-C 3.6Å; L263-Y266 PolarHBondContact O-N 3.48Å; L263-T267 WeakPolarHBondContact O-CB 3.49Å; L263-T267 VanDerWaalsContact O-CG2 3.27Å; L263-T267 WeakPolarHBondContact O-CG2 3.22Å; L263-T267 PolarHBondContact O-N 3.22Å; L263-T267 PolarHBondContact O-OG1 3.36Å
264N80.4Confident69.1Low73 Ų7393.6 Ų93.639%0.3950%0.495SS..Hα-helixtrans-54.1-43.3177.8-72.3-8.3000111.7R260 P261 L262 Y266 T267 D268R260-N264 WeakPolarHBondContact O-CB 3.46Å; R260-N264 PolarHBondContact O-N 2.76Å; R260-N264 PolarHBondContact O-OD1 3.05Å; P261-N264 PolarHBondContact O-N 3.25Å; L262-N264 PolarHBondContact O-N 2.96Å; N264-Y266 VanDerWaalsContact C-N 3.28Å; N264-Y266 PolarHBondContact O-N 3.12Å; N264-T267 VanDerWaalsContact CA-OG1 3.25Å; N264-T267 WeakPolarHBondContact CA-OG1 3.2Å; N264-T267 PolarHBondContact O-N 2.91Å; N264-T267 PolarHBondContact O-OG1 2.84Å; N264-D268 PolarHBondContact O-N 3.28Å
265L79.3Confident66.3Low39 Ų39101.9 Ų101.920%0.20451%0.513CS..Hα-helixtrans-61.9-34.8178.4-158.6116.4000113V110 Q111 L114 P261 L262 L263V110-L265 HydrophobicContact CG2-CD1 4.26Å; Q111-L265 HydrophobicContact CG-CD1 3.32Å; L114-L265 HydrophobicContact CD1-CD2 3.78Å; P261-L265 WeakPolarHBondContact O-CB 3.2Å; P261-L265 PolarHBondContact O-N 2.96Å; L262-L265 WeakPolarHBondContact O-CB 3.31Å; L262-L265 PolarHBondContact O-N 3.45Å; L263-L265 PolarHBondContact O-N 3.03Å
266Y64.1Low63.5Low135 Ų135111.2 Ų111.253%0.52954%0.544SS..Hα-helixtrans-86.6-26.7176.1-71.9-69.9000113.4L114 L262 L263 N264L114-Y266 HydrophobicContact CD1-CE2 4.08Å; L114-Y266 HydrophobicContact CD2-CE2 4.43Å; L114-Y266 WeakPolarHBondContact CD2-OH 3.4Å; L262-Y266 WeakPolarHBondContact O-CD2 3.38Å; L262-Y266 PolarHBondContact O-N 2.82Å; L263-Y266 CarbonylContact O-C 3.6Å; L263-Y266 PolarHBondContact O-N 3.48Å; N264-Y266 VanDerWaalsContact C-N 3.28Å; N264-Y266 PolarHBondContact O-N 3.12Å
267T58.2Low60.5Low73 Ų73114.1 Ų114.145%0.44855%0.552SS.*Hα-helixtrans-87.8-15.2-178.157.30000113.9L263 N264 I269 G270L263-T267 WeakPolarHBondContact O-CB 3.49Å; L263-T267 VanDerWaalsContact O-CG2 3.27Å; L263-T267 WeakPolarHBondContact O-CG2 3.22Å; L263-T267 PolarHBondContact O-N 3.22Å; L263-T267 PolarHBondContact O-OG1 3.36Å; N264-T267 VanDerWaalsContact CA-OG1 3.25Å; N264-T267 WeakPolarHBondContact CA-OG1 3.2Å; N264-T267 PolarHBondContact O-N 2.91Å; N264-T267 PolarHBondContact O-OG1 2.84Å; T267-I269 PolarHBondContact O-N 3.44Å; T267-G270 CarbonylContact O-C 3.45Å
268D48.8Very low57.5Low139 Ų139121.9 Ų121.974%0.74359%0.588SS**THydrogen-bonded Turntrans-72.2-8.5169.7-76.8-18.1000112.4N264 G270N264-D268 PolarHBondContact O-N 3.28Å; D268-G270 VanDerWaalsContact C-N 3.28Å; D268-G270 PolarHBondContact O-N 3.03Å
269I43.8Very low54.7Low149 Ų149131.5 Ų131.576%0.76463%0.63SS**SBendtrans-86.573.7158.1-50176.8000108.2T267T267-I269 PolarHBondContact O-N 3.44Å
270G38.4Very low52.3Low51 Ų51133.8 Ų133.853%0.52665%0.65SS.*SBendtrans105.894.2170.700000114.4T267 D268 V272T267-G270 CarbonylContact O-C 3.45Å; D268-G270 VanDerWaalsContact C-N 3.28Å; D268-G270 PolarHBondContact O-N 3.03Å; G270-V272 PolarHBondContact O-N 3.35Å; G270-V272 VanDerWaalsContact O-N 3.17Å
271N39.4Very low49.7Very low159 Ų159133 Ų13385%0.8566%0.658SS**  trans-39.1115.2161.8-122.4-32000112.2
272V36.6Very low47Very low124 Ų124137.3 Ų137.375%0.75269%0.689SS**  trans-131.6104.8160.7-174.90000109.1G270 M274G270-V272 PolarHBondContact O-N 3.35Å; G270-V272 VanDerWaalsContact O-N 3.17Å; V272-M274 PolarHBondContact O-N 3.3Å
273K35.3Very low44.2Very low201 Ų201142.5 Ų142.587%0.87472%0.722SS**  trans-65.1114.4168.5-76-176.7177.2178.20109
274M30.4Very low41.7Very low179 Ų179144.4 Ų144.488%0.88274%0.737SS**  trans-94.9115.1173.8-134.8-167.2-7900110.8V272V272-M274 PolarHBondContact O-N 3.3Å
275R32.6Very low39.2Very low241 Ų241149.3 Ų149.391%0.90976%0.757SS**  trans-70.3137.5165.7-90.7-177.7172.9177.8-2109.4
276R36Very low37.8Very low251 Ų251152.3 Ų152.395%0.94778%0.779SS**  trans-75.2127.7175.4-136.4-175.1-164.9-178.43.7110.4
277I30.4Very low36.1Very low165 Ų165154.6 Ų154.685%0.84680%0.8SS**  trans-143.3144.2156.9-59.5-175.7000109.6
278E30.9Very low34.7Very low186 Ų186154.6 Ų154.687%0.86982%0.815SS**  trans-78.2163.7-160.6-60.5169150.900115.9
279K33.6Very low34Very low201 Ų201159.8 Ų159.887%0.87482%0.824SS**  trans-80.9157.9166.1-75.7-175.6173178.80110.7
280P38.2Very low33.9Very low126 Ų126158.6 Ų158.682%0.81883%0.826SS**  -146.3172.995.429.1-6.9000117.4
281L30.2Very low33.4Very low166 Ų166160.1 Ų160.187%0.86984%0.842SS**  trans-51.7156-170.9-66137.2000119.9
282S30.8Very low32.9Very low107 Ų107156.1 Ų156.175%0.74884%0.838SS**  171.6128.4109.649.70000116.4
283T29.3Very low32.6Very low129 Ų129162.5 Ų162.579%0.79185%0.848SS**  trans35.6132.4138.254.20000124.3
284V28.5Very low32.6Very low139 Ų139159.2 Ų159.284%0.84285%0.845SS**  171.2139.797.3165.50000110.8
285Q27.6Very low33.1Very low175 Ų175156.8 Ų156.882%0.81884%0.842SS**  trans-101-159.8173.3-73.9-170.7-19.800111.3
286P49.9Very low32.9Very low102 Ų102149.3 Ų149.366%0.66283%0.832SS**  -130.5-175.1-71.638-20.5000112.1
287L28.6Very low32.4Very low183 Ų183144 Ų14496%0.95882%0.823SS**  trans170144.7150.2-91.7144.5000107.6
288G28.8Very low32.3Very low74 Ų74146.6 Ų146.676%0.76382%0.822SS**  cis176.4147.72.100000108.2
289R34.1Very low32.2Very low247 Ų247144.4 Ų144.493%0.93282%0.821SS**  trans-85.1176.3169.4-97-176-176.6-175.82109.8
290P41.9Very low32Very low124 Ų124146 Ų14681%0.80582%0.822SS**  cis-153.116441.336.3-11.2000118.8
291G29.1Very low31.5Very low84 Ų84148.2 Ų148.287%0.86683%0.827SS**  94.7143.8111.300000113.7
292G27.9Very low31.4Very low74 Ų74144.8 Ų144.876%0.76382%0.822SS**  cis-179173.6-2.500000112.1
293R29.9Very low31.4Very low259 Ų259145.5 Ų145.598%0.97783%0.828SS**  trans60.5140.2155.7-75.5-177.8174174.7-1.9124.3
294V37Very low31.4Very low131 Ų131145.6 Ų145.679%0.79483%0.828SS**  trans-88.8167.5176.8-153.90000111.7
295P39.3Very low31.4Very low129 Ų129142.6 Ų142.684%0.83883%0.825SS**  -150.8-177.795.836.8-15.3000117.4
296A28.4Very low31.5Very low84 Ų84142 Ų14269%0.69483%0.826SS**  trans-72.9162.8-160.700000120.7
297N27.1Very low30.5Very low140 Ų140141 Ų14175%0.74984%0.835SS**  170141.8109.3-108-22.5000115.5
298R28Very low30.6Very low218 Ų218137.9 Ų137.982%0.82383%0.828SS**  trans39.1138.9143.8-61177178.9-173.6-1.8120.2
299T29Very low30.6Very low141 Ų141138.1 Ų138.187%0.86583%0.83SS**  -164.6162.76636.10000114.6
300R29.2Very low30.5Very low233 Ų233135.3 Ų135.388%0.87983%0.825SS**  trans-59.7153.3167.8-75.7166.1138171-7.5112.8
301D27.9Very low29.9Very low173 Ų173136 Ų13693%0.92583%0.827SS**  -156140.1122.6-99.8-24.9000113.1
302A27.1Very low30.1Very low94 Ų94140.2 Ų140.278%0.77782%0.824SS**  trans-101.9145.6175.900000108.9
303S30.2Very low30.9Very low123 Ų123140.9 Ų140.986%0.8682%0.816SS**  trans-135.9136.7160.656.60000110.8
304V30.4Very low32Very low131 Ų131132.5 Ų132.579%0.79479%0.791SS**  trans-89138.2-169.2170.60000109.4L306V304-L306 HydrophobicContact CG1-CD1 4.04Å
305G28.3Very low33.2Very low75 Ų75128.5 Ų128.577%0.77377%0.767SS**  trans-129.4116.2168.100000110.5
306L30Very low35.2Very low164 Ų164126.1 Ų126.186%0.85975%0.747SS**  trans-69.7136.7-178.3-99.173.4000113.5V304V304-L306 HydrophobicContact CG1-CD1 4.04Å
307G29Very low38Very low81 Ų81122.2 Ų122.284%0.83571%0.714SS**  48.2110.2129.400000121.3
308S29.9Very low41.1Very low117 Ų117115.6 Ų115.682%0.81868%0.679SS**  trans-135.3135.1138.871.70000109.6K310S308-K310 PolarHBondContact O-N 3.33Å
309G29.8Very low44.3Very low79 Ų79105.2 Ų105.281%0.81464%0.64SS**  trans-62.4125.3-173.900000112.3V311G309-V311 PolarHBondContact O-N 3.34Å
310K30.3Very low47.4Very low187 Ų18798.6 Ų98.681%0.81360%0.599SS**  trans-78114.3172.1-77.4-177.8176.9178.30109.3S308 H312S308-K310 PolarHBondContact O-N 3.33Å; K310-H312 PolarHBondContact O-N 2.74Å
311V30.1Very low50.6Low139 Ų13987.5 Ų87.584%0.84256%0.557SS**  trans-57.4112.8153.21780000106.5G309 S313G309-V311 PolarHBondContact O-N 3.34Å; V311-S313 PolarHBondContact O-N 2.85Å; V311-S313 VanDerWaalsContact O-N 3.09Å
312H33.1Very low53.7Low173 Ų17379.2 Ų79.280%0.80151%0.513SS*.  trans-70.1103.9173.7-77.4-78.8000108.1K310 L314K310-H312 PolarHBondContact O-N 2.74Å; H312-L314 PolarHBondContact O-N 3.39Å
313S44.9Very low56.8Low87 Ų8774.8 Ų74.861%0.60848%0.477SS*.PPolyproline II helixtrans-63119.6164.457.50000107.9V311V311-S313 PolarHBondContact O-N 2.85Å; V311-S313 VanDerWaalsContact O-N 3.09Å
314L52.7Low59.5Low84 Ų8472.5 Ų72.544%0.4446%0.461SS..PPolyproline II helixtrans-56.4145.3176.2-73.6158.1000110.7H312 F689H312-L314 PolarHBondContact O-N 3.39Å; L314-F689 HydrophobicContact CD1-CE1 4.22Å
315P62.6Low62.1Low46 Ų4668.6 Ų68.630%0.29945%0.447SS..PPolyproline II helixtrans-65.6137.6179.427.3-32.9000111S317P315-S317 PolarHBondContact O-N 3.27Å
316L80.2Confident65.1Low80 Ų8066.3 Ų66.342%0.41942%0.417SS..SBendtrans-64.6-20.1-179.4-67.2170.4000114.2E338L316-E338 HydrophobicContact CB-CB 4.34Å
317S88.7Confident67.9Low1 Ų161.8 Ų61.81%0.00740%0.396CS..  trans-155.4156.9172.8-62.60000109.8P315 E338 V339 V685P315-S317 PolarHBondContact O-N 3.27Å; S317-E338 WeakPolarHBondContact OG-CA 3.24Å; S317-V339 PolarHBondContact OG-N 2.89Å; S317-V339 VanDerWaalsContact OG-N 3.11Å; S317-V685 WeakPolarHBondContact CA-O 3.24Å; S317-V685 WeakPolarHBondContact CB-O 3.16Å
318S92.1Very high70.9Confident2 Ų260.2 Ų60.21%0.01438%0.375CS..EExtended strand (participates in β ladder)trans-118.8146.2170.2-44.50000109.9R331 E665 A684 V685S318-R331 PolarHBondContact OG-NE 3.46Å; S318-R331 PolarHBondContact OG-NH2 3.45Å; S318-E665 WeakPolarHBondContact CB-OE1 3.34Å; S318-E665 PolarHBondContact OG-OE1 3.15Å; S318-A684 WeakPolarHBondContact O-CA 2.78Å; S318-V685 PolarHBondContact N-O 2.75Å; S318-V685 PolarHBondContact O-N 2.89Å
319V93.9Very high74Confident0 Ų055.9 Ų55.90%034%0.344CS..EExtended strand (participates in β ladder)trans-123.5130174.7-175.80000108.4L332 M334 V339 V342 W361 L682 L683 A684V319-L332 HydrophobicContact CG1-CD1 4.02Å; V319-L332 PolarHBondContact O-N 3.13Å; V319-M334 HydrophobicContact CB-SD 4.02Å; V319-M334 HydrophobicContact CG2-CE 3.96Å; V319-M334 HydrophobicContact CG2-CG 4.47Å; V319-M334 HydrophobicContact CG2-SD 3.59Å; V319-M334 VanDerWaalsContact CG2-SD 3.59Å; V319-V339 HydrophobicContact CG2-CB 4.38Å; V319-V339 HydrophobicContact CG2-CG1 4.43Å; V319-V339 HydrophobicContact CG2-CG2 4.05Å; V319-V342 HydrophobicContact CG1-CG1 4.38Å; V319-W361 HydrophobicContact CB-CH2 4.46Å; V319-W361 HydrophobicContact CB-CZ2 4.12Å; V319-W361 HydrophobicContact CG1-CH2 4.11Å; V319-W361 HydrophobicContact CG1-CZ2 4.14Å; V319-W361 HydrophobicContact CG1-CZ3 4.47Å; V319-W361 HydrophobicContact CG2-CH2 4.01Å; V319-W361 HydrophobicContact CG2-CZ2 3.82Å; V319-L682 HydrophobicContact CG1-CD1 3.51Å; V319-L682 HydrophobicContact CG1-CG 4.07Å; V319-L683 CarbonylContact C-O 3.52Å; V319-L683 VanDerWaalsContact CA-O 3.3Å; V319-L683 WeakPolarHBondContact CA-O 3.13Å; V319-A684 HydrophobicContact CG2-CB 4.17Å
320Y94.9Very high77Confident1 Ų153.2 Ų53.20%0.00431%0.311CS..EExtended strand (participates in β ladder)trans-113.6145.6178.7-68.1-95.1000110.4P329 L330 R331 L663 D664 E665 L682 L683 V685Y320-P329 HydrophobicContact CD1-CB 3.88Å; Y320-P329 HydrophobicContact CG-CB 4.45Å; Y320-L330 CarbonylContact C-O 3.6Å; Y320-L330 VanDerWaalsContact CA-O 3.3Å; Y320-L330 WeakPolarHBondContact CA-O 3.4Å; Y320-R331 HydrophobicContact CD1-CB 4.05Å; Y320-R331 HydrophobicContact CD1-CG 4.42Å; Y320-R331 HydrophobicContact CE1-CB 3.71Å; Y320-R331 HydrophobicContact CE1-CG 3.93Å; Y320-R331 HydrophobicContact CE2-CG 4.42Å; Y320-L663 HydrophobicContact CD1-CD2 4.16Å; Y320-L663 HydrophobicContact CD2-CD1 4.36Å; Y320-L663 HydrophobicContact CD2-CD2 4.35Å; Y320-L663 HydrophobicContact CE2-CD1 4.47Å; Y320-L663 HydrophobicContact CG-CD2 4.07Å; Y320-D664 PolarHBondContact OH-O 2.99Å; Y320-E665 HydrophobicContact CE2-CG 4.31Å; Y320-E665 WeakPolarHBondContact CE2-OE1 3.4Å; Y320-E665 VanDerWaalsContact OH-CD 3.26Å; Y320-E665 WeakPolarHBondContact OH-CG 3.29Å; Y320-E665 PolarHBondContact OH-OE1 2.77Å; Y320-L682 WeakPolarHBondContact O-CA 3.44Å; Y320-L683 PolarHBondContact N-O 3.19Å; Y320-L683 PolarHBondContact O-N 3.44Å; Y320-V685 HydrophobicContact CD2-CG2 4.2Å; Y320-V685 HydrophobicContact CE2-CG2 3.8Å
321T95.4Very high79.9Confident0 Ų049.2 Ų49.20%029%0.291CS..EExtended strand (participates in β ladder)trans-133.2147169.6-165.20000111.6I326 L330 L332 K349 F384 T681T321-I326 HydrophobicContact CG2-CD1 4.08Å; T321-L330 HydrophobicContact CG2-CB 4.42Å; T321-L330 PolarHBondContact N-O 2.93Å; T321-L330 WeakPolarHBondContact O-CB 3.4Å; T321-L330 PolarHBondContact O-N 3.08Å; T321-L332 HydrophobicContact CG2-CD1 4.07Å; T321-L332 HydrophobicContact CG2-CD2 3.57Å; T321-L332 HydrophobicContact CG2-CG 3.87Å; T321-K349 WeakPolarHBondContact OG1-CE 3.43Å; T321-F384 HydrophobicContact CG2-CE2 4.15Å; T321-F384 HydrophobicContact CG2-CZ 4.44Å; T321-T681 VanDerWaalsContact CA-O 3.25Å; T321-T681 WeakPolarHBondContact CA-O 3.46Å; T321-T681 PolarHBondContact OG1-O 3.23Å
322W94.8Very high82.8Confident0 Ų042.8 Ų42.80%025%0.252CS..EExtended strand (participates in β ladder)trans-152.5172.2170.461.490.8000110.7I326 P329 L628 R647 T681 L683W322-I326 HydrophobicContact CB-CG2 4.2Å; W322-P329 HydrophobicContact CE3-CB 3.87Å; W322-P329 HydrophobicContact CE3-CG 4.25Å; W322-P329 HydrophobicContact CZ3-CB 4.26Å; W322-L628 HydrophobicContact CH2-CD1 4.08Å; W322-L628 HydrophobicContact CZ2-CD1 3.61Å; W322-R647 VanDerWaalsContact CD1-O 3.26Å; W322-R647 PolarHBondContact NE1-O 2.91Å; W322-R647 VanDerWaalsContact NE1-O 3.1Å; W322-T681 HydrophobicContact CD2-CG2 4.22Å; W322-T681 VanDerWaalsContact CE2-CB 3.44Å; W322-T681 HydrophobicContact CE3-CG2 4.4Å; W322-T681 HydrophobicContact CH2-CG2 3.53Å; W322-T681 HydrophobicContact CZ2-CG2 3.3Å; W322-T681 HydrophobicContact CZ3-CG2 4.08Å; W322-T681 PolarHBondContact N-O 3.21Å; W322-T681 PolarHBondContact NE1-OG1 3.47Å; W322-T681 PolarHBondContact O-N 3.01Å; W322-L683 HydrophobicContact CH2-CB 3.92Å; W322-L683 HydrophobicContact CH2-CD1 4.47Å; W322-L683 HydrophobicContact CH2-CD2 4.19Å; W322-L683 HydrophobicContact CH2-CG 4.43Å; W322-L683 HydrophobicContact CZ3-CB 3.81Å; W322-L683 HydrophobicContact CZ3-CD2 4.29Å
323G91.2Very high85.2Confident1 Ų137.7 Ų37.71%0.0123%0.234CC..EExtended strand (participates in β ladder)trans97.1177-170.700000113.4G325 I326 R645 G646 G679G323-G325 PolarHBondContact O-N 3.38Å; G323-G325 VanDerWaalsContact O-N 3.08Å; G323-I326 PolarHBondContact N-O 3.15Å; G323-I326 WeakPolarHBondContact O-CB 3.18Å; G323-I326 PolarHBondContact O-N 2.83Å; G323-R645 CarbonylContact C-O 3.59Å; G323-G646 PolarHBondContact N-O 3.47Å; G323-G679 CarbonylContact C-O 3.02Å; G323-G679 WeakPolarHBondContact CA-O 3.36Å
324S86.8Confident86.9Confident75 Ų7535.7 Ų35.752%0.52422%0.215SC..THydrogen-bonded Turntrans46.436-174.4-58.90000115.6R645 G679 N680S324-R645 PolarHBondContact N-O 2.99Å; S324-G679 PolarHBondContact N-O 3.39Å; S324-N680 WeakPolarHBondContact CB-OD1 3.16Å; S324-N680 PolarHBondContact OG-ND2 3.15Å; S324-N680 VanDerWaalsContact OG-ND2 3.11Å; S324-N680 PolarHBondContact OG-OD1 3.41Å
325G86.2Confident87.9Confident49 Ų4934.8 Ų34.851%0.50521%0.211SC..THydrogen-bonded Turntrans108.7-16.9-179.900000114G323 T327 R645G323-G325 PolarHBondContact O-N 3.38Å; G323-G325 VanDerWaalsContact O-N 3.08Å; G325-T327 PolarHBondContact O-N 3.03Å; G325-R645 PolarHBondContact N-O 3.45Å
326I90.1Very high88.7Confident26 Ų2637.5 Ų37.513%0.13322%0.223CC..EExtended strand (participates in β ladder)trans-82.6108.6172.1-58.2170.8000108.2T321 W322 G323 A328 L330 P382 F384 G646T321-I326 HydrophobicContact CG2-CD1 4.08Å; W322-I326 HydrophobicContact CB-CG2 4.2Å; G323-I326 PolarHBondContact N-O 3.15Å; G323-I326 WeakPolarHBondContact O-CB 3.18Å; G323-I326 PolarHBondContact O-N 2.83Å; I326-A328 WeakPolarHBondContact CG2-O 3.34Å; I326-L330 HydrophobicContact CD1-CD2 4.07Å; I326-L330 HydrophobicContact CG2-CB 3.83Å; I326-P382 HydrophobicContact CD1-CG 3.66Å; I326-P382 HydrophobicContact CG1-CG 3.79Å; I326-F384 HydrophobicContact CD1-CE2 4.02Å; I326-F384 HydrophobicContact CD1-CZ 4.34Å; I326-G646 WeakPolarHBondContact O-CA 3.33Å
327T89.9Confident88.9Confident69 Ų6934.5 Ų34.542%0.42321%0.208SC..EExtended strand (participates in β ladder)trans-88.2-14.6-169.853.80000115.4G325 G649 R650G325-T327 PolarHBondContact O-N 3.03Å; T327-G649 CarbonylContact O-C 3.41Å; T327-R650 CarbonylContact O-C 3.54Å; T327-R650 PolarHBondContact O-N 2.63Å; T327-R650 VanDerWaalsContact O-N 3.08Å
328A91.6Very high88.9Confident48 Ų4835.7 Ų35.740%0.39721%0.213SC..EExtended strand (participates in β ladder)trans-135.6158.3176.500000109.5I326 L330I326-A328 WeakPolarHBondContact CG2-O 3.34Å; A328-L330 PolarHBondContact O-N 2.83Å
329P94.3Very high89Confident26 Ų2635.6 Ų35.617%0.16921%0.213CC..EExtended strand (participates in β ladder)trans-61.6113.1-175.3-21.637.2000110.3Y320 W322 G649 V661 L663Y320-P329 HydrophobicContact CD1-CB 3.88Å; Y320-P329 HydrophobicContact CG-CB 4.45Å; W322-P329 HydrophobicContact CE3-CB 3.87Å; W322-P329 HydrophobicContact CE3-CG 4.25Å; W322-P329 HydrophobicContact CZ3-CB 4.26Å; P329-G649 VanDerWaalsContact CD-O 3.24Å; P329-G649 WeakPolarHBondContact CD-O 3.04Å; P329-V661 HydrophobicContact CG-CG1 3.49Å; P329-V661 VanDerWaalsContact CG-CG1 3.49Å; P329-L663 HydrophobicContact CB-CD2 3.58Å; P329-L663 HydrophobicContact CG-CD2 3.81Å
330L92.7Very high88.9Confident24 Ų2439.5 Ų39.513%0.12623%0.233CC..EExtended strand (participates in β ladder)trans-91.5118.4178.1178.566.2000108.9Y320 T321 I326 A328 L332 P382 F384Y320-L330 CarbonylContact C-O 3.6Å; Y320-L330 VanDerWaalsContact CA-O 3.3Å; Y320-L330 WeakPolarHBondContact CA-O 3.4Å; T321-L330 HydrophobicContact CG2-CB 4.42Å; T321-L330 PolarHBondContact N-O 2.93Å; T321-L330 WeakPolarHBondContact O-CB 3.4Å; T321-L330 PolarHBondContact O-N 3.08Å; I326-L330 HydrophobicContact CD1-CD2 4.07Å; I326-L330 HydrophobicContact CG2-CB 3.83Å; A328-L330 PolarHBondContact O-N 2.83Å; L330-L332 PolarHBondContact O-N 2.9Å; L330-P382 HydrophobicContact CD2-CG 4.18Å; L330-F384 HydrophobicContact CD2-CD2 4.13Å; L330-F384 HydrophobicContact CD2-CE2 4.03Å
331R92Very high88.9Confident102 Ų10242.3 Ų42.339%0.38525%0.246SC..EExtended strand (participates in β ladder)trans-69.1120.8173.1-158.8-179.4-159.1165.57.5109.3S318 Y320 E665S318-R331 PolarHBondContact OG-NE 3.46Å; S318-R331 PolarHBondContact OG-NH2 3.45Å; Y320-R331 HydrophobicContact CD1-CB 4.05Å; Y320-R331 HydrophobicContact CD1-CG 4.42Å; Y320-R331 HydrophobicContact CE1-CB 3.71Å; Y320-R331 HydrophobicContact CE1-CG 3.93Å; Y320-R331 HydrophobicContact CE2-CG 4.42Å; R331-E665 IonicContact CZ-OE1 3.26Å; R331-E665 IonicContact CZ-OE2 2.67Å; R331-E665 IonicContact NH2-OE1 2.75Å; R331-E665 PolarHBondContact NH2-OE1 2.99Å; R331-E665 IonicContact NH2-OE2 3.39Å; R331-E665 PolarHBondContact NH2-OE2 3.44Å
332L90.4Very high89Confident5 Ų542.5 Ų42.53%0.02625%0.247CC..PPolyproline II helixtrans-78.2147.9179-69.1178.5000110.9V319 T321 L330 M334 W361 F384 L682V319-L332 HydrophobicContact CG1-CD1 4.02Å; V319-L332 PolarHBondContact O-N 3.13Å; T321-L332 HydrophobicContact CG2-CD1 4.07Å; T321-L332 HydrophobicContact CG2-CD2 3.57Å; T321-L332 HydrophobicContact CG2-CG 3.87Å; L330-L332 PolarHBondContact O-N 2.9Å; L332-M334 PolarHBondContact O-N 3.14Å; L332-W361 HydrophobicContact CD1-CB 4.07Å; L332-W361 HydrophobicContact CD1-CD2 3.93Å; L332-W361 HydrophobicContact CD1-CG 3.69Å; L332-F384 HydrophobicContact CD2-CB 3.72Å; L332-F384 HydrophobicContact CD2-CD1 4.23Å; L332-F384 HydrophobicContact CD2-CD2 3.4Å; L332-F384 HydrophobicContact CD2-CE2 4.02Å; L332-F384 HydrophobicContact CD2-CG 3.51Å; L332-L682 HydrophobicContact CD1-CD1 3.63Å
333P83.8Confident89.1Confident65 Ų6543 Ų4342%0.42225%0.251SS..PPolyproline II helixtrans-56.6136.6168.7-2738.1000111W361 F384 S386P333-W361 PolarHBondContact O-NE1 2.86Å; P333-W361 VanDerWaalsContact O-NE1 3.09Å; P333-F384 WeakPolarHBondContact CG-O 3.29Å; P333-S386 WeakPolarHBondContact O-CB 3.47Å
334M80.5Confident89.2Confident45 Ų4543.3 Ų43.322%0.22225%0.252CS..  trans-132.1142.5-173.5-78.8-59.4-67.500111.3V319 L332 T337 V339 W361V319-M334 HydrophobicContact CB-SD 4.02Å; V319-M334 HydrophobicContact CG2-CE 3.96Å; V319-M334 HydrophobicContact CG2-CG 4.47Å; V319-M334 HydrophobicContact CG2-SD 3.59Å; V319-M334 VanDerWaalsContact CG2-SD 3.59Å; L332-M334 PolarHBondContact O-N 3.14Å; M334-T337 HydrophobicContact CE-CG2 4.48Å; M334-V339 HydrophobicContact CE-CG2 3.37Å; M334-W361 HydrophobicContact CE-CZ2 4.43Å; M334-W361 HydrophobicContact SD-CZ2 3.51Å; M334-W361 VanDerWaalsContact SD-CZ2 3.51Å
335L74.6Confident89.3Confident66 Ų6639.9 Ų39.935%0.34623%0.228SC..  trans-81.1154.6164-58174.3000108.1T337 F388L335-T337 HydrophobicContact CB-CG2 4.31Å; L335-T337 PolarHBondContact O-N 3.42Å; L335-F388 HydrophobicContact CD1-CD2 3.62Å; L335-F388 HydrophobicContact CD1-CE1 4.4Å; L335-F388 HydrophobicContact CD1-CE2 3.24Å; L335-F388 HydrophobicContact CD1-CG 4.37Å; L335-F388 HydrophobicContact CD1-CZ 3.68Å
336N78.9Confident89.2Confident102 Ų10243.2 Ų43.255%0.54523%0.226SC..SBendtrans-71.575.7-179.1-168.926.8000111.6
337T84.5Confident88.7Confident18 Ų1846.3 Ų46.311%0.1125%0.246CC..SBendtrans-150152.4-173.4-1700000110.7M334 L335 T353 I359M334-T337 HydrophobicContact CE-CG2 4.48Å; L335-T337 HydrophobicContact CB-CG2 4.31Å; L335-T337 PolarHBondContact O-N 3.42Å; T337-T353 HydrophobicContact CG2-CG2 3.59Å; T337-I359 HydrophobicContact CG2-CD1 3.71Å
338E89.3Confident88.6Confident25 Ų2545.1 Ų45.112%0.11724%0.236CC..  trans-85.9128.7178.2-174.8174.9176.700110L316 S317 L340 T353 K354 K686L316-E338 HydrophobicContact CB-CB 4.34Å; S317-E338 WeakPolarHBondContact OG-CA 3.24Å; E338-L340 HydrophobicContact CG-CD2 4.43Å; E338-T353 CarbonylContact O-C 3.46Å; E338-T353 WeakPolarHBondContact O-CA 3.44Å; E338-T353 WeakPolarHBondContact O-CB 3.35Å; E338-K354 HydrophobicContact CB-CB 3.98Å; E338-K354 HydrophobicContact CB-CD 4.29Å; E338-K354 HydrophobicContact CG-CB 4.37Å; E338-K354 HydrophobicContact CG-CD 4.34Å; E338-K354 PolarHBondContact O-N 3.32Å; E338-K354 WeakPolarHBondContact OE2-CD 3.23Å; E338-K354 IonicContact OE2-NZ 3.9Å; E338-K354 PolarHBondContact OE2-NZ 3.39Å; E338-K686 WeakPolarHBondContact OE1-CE 3.24Å; E338-K686 IonicContact OE1-NZ 2.92Å; E338-K686 PolarHBondContact OE1-NZ 3.13Å; E338-K686 IonicContact OE2-NZ 2.76Å
339V92.4Very high88.6Confident0 Ų044 Ų440%022%0.222CC..EExtended strand (participates in β ladder)trans-100.1119.6177.7178.10000109.6S317 V319 M334 V342 T672 A684S317-V339 PolarHBondContact OG-N 2.89Å; S317-V339 VanDerWaalsContact OG-N 3.11Å; V319-V339 HydrophobicContact CG2-CB 4.38Å; V319-V339 HydrophobicContact CG2-CG1 4.43Å; V319-V339 HydrophobicContact CG2-CG2 4.05Å; M334-V339 HydrophobicContact CE-CG2 3.37Å; V339-V342 HydrophobicContact CG1-CG1 3.88Å; V339-T672 PolarHBondContact O-OG1 3.46Å; V339-A684 HydrophobicContact CB-CB 4.33Å; V339-A684 HydrophobicContact CG1-CB 3.94Å
340L92.8Very high88.6Confident82 Ų8243 Ų4343%0.42922%0.215SC..EExtended strand (participates in β ladder)trans-90.3-37.7-178.1-63.3-175.6000112.6E338 V352 K354E338-L340 HydrophobicContact CG-CD2 4.43Å; L340-V352 PolarHBondContact N-O 2.82Å; L340-K354 HydrophobicContact CD1-CB 4.19Å; L340-K354 HydrophobicContact CD1-CG 4.5Å; L340-K354 HydrophobicContact CD2-CB 4.19Å; L340-K354 HydrophobicContact CG-CB 4.08Å
341Q95.4Very high88.6Confident60 Ų6041.9 Ų41.928%0.2821%0.209SC..EExtended strand (participates in β ladder)trans-142.6143.1-176.9-164.7-165.6-6.400110.1G351 V352 V400Q341-G351 CarbonylContact O-C 3.56Å; Q341-G351 WeakPolarHBondContact O-CA 3.21Å; Q341-V352 HydrophobicContact CB-CB 4.46Å; Q341-V352 PolarHBondContact N-O 2.82Å; Q341-V352 PolarHBondContact O-N 3.47Å; Q341-V400 PolarHBondContact NE2-O 3.42Å
342V96.8Very high88.7Confident4 Ų437.1 Ų37.12%0.02419%0.191CC..EExtended strand (participates in β ladder)trans-117.5154.7166.9-65.70000110.8V319 V339 M350 S673 A675 L682 A684V319-V342 HydrophobicContact CG1-CG1 4.38Å; V339-V342 HydrophobicContact CG1-CG1 3.88Å; V342-M350 CarbonylContact C-O 3.55Å; V342-M350 WeakPolarHBondContact CA-O 3.38Å; V342-S673 PolarHBondContact N-OG 3.18Å; V342-A675 HydrophobicContact CG2-CB 4.42Å; V342-L682 HydrophobicContact CB-CD2 3.78Å; V342-L682 HydrophobicContact CB-CG 3.97Å; V342-L682 HydrophobicContact CG1-CD2 4.15Å; V342-L682 HydrophobicContact CG1-CG 4.18Å; V342-L682 HydrophobicContact CG2-CB 4.49Å; V342-L682 HydrophobicContact CG2-CD2 4.49Å; V342-L682 HydrophobicContact CG2-CG 4.25Å; V342-A684 HydrophobicContact CG1-CB 3.74Å
343S96.7Very high88.7Confident10 Ų1036.9 Ų36.97%0.0719%0.19CC..EExtended strand (participates in β ladder)trans-143.8146174.7178.80000110.1M350 S401 C402S343-M350 PolarHBondContact N-O 3.32Å; S343-M350 PolarHBondContact O-N 3.15Å; S343-S401 WeakPolarHBondContact OG-CA 3.31Å; S343-C402 WeakPolarHBondContact OG-CB 3.08Å; S343-C402 PolarHBondContact OG-N 2.86Å; S343-C402 PolarHBondContact OG-SG 2.93Å
344L94.1Very high89Confident9 Ų940.2 Ų40.25%0.04720%0.198CC..EExtended strand (participates in β ladder)trans-123.3131.3179.2-80.7-171.8000111.5K349 A675 C677 N680 L682L344-K349 HydrophobicContact CD2-CB 4.1Å; L344-K349 HydrophobicContact CD2-CD 4.34Å; L344-K349 HydrophobicContact CD2-CG 3.58Å; L344-A675 HydrophobicContact CB-CB 4.1Å; L344-A675 VanDerWaalsContact CD1-O 3.3Å; L344-A675 WeakPolarHBondContact CD1-O 3.5Å; L344-A675 HydrophobicContact CG-CB 4.11Å; L344-C677 HydrophobicContact CB-CB 3.69Å; L344-N680 HydrophobicContact CD1-CB 4.01Å; L344-L682 HydrophobicContact CD1-CB 3.71Å; L344-L682 HydrophobicContact CD2-CB 3.64Å; L344-L682 HydrophobicContact CD2-CD2 3.79Å; L344-L682 HydrophobicContact CD2-CG 4.3Å; L344-L682 HydrophobicContact CG-CB 3.5Å; L344-L682 HydrophobicContact CG-CD2 4.2Å
345G88.9Confident89.1Confident2 Ų241.4 Ų41.42%0.02121%0.211CC..  trans-103.5-172.1158.800000110.7T347 Q348 G403G345-T347 VanDerWaalsContact C-N 3.28Å; G345-T347 PolarHBondContact O-N 2.64Å; G345-Q348 PolarHBondContact N-O 2.91Å; G345-G403 WeakPolarHBondContact CA-O 3.27Å
346R84.3Confident89.5Confident119 Ų11938.4 Ų38.445%0.44920%0.196SC..SBendtrans-59.3-41173.7-179.9174.8-70.11517.7112.2D404 H678R346-D404 HydrophobicContact CB-CB 4.19Å; R346-D404 IonicContact CZ-OD1 2.88Å; R346-D404 IonicContact CZ-OD2 3.85Å; R346-D404 IonicContact NE-OD1 3.95Å; R346-D404 IonicContact NE-OD2 2.64Å; R346-D404 IonicContact NH1-OD2 3.12Å; R346-D404 PolarHBondContact NH1-OD2 3.25Å; R346-D404 IonicContact NH2-OD1 3.82Å; R346-D404 IonicContact NH2-OD2 3.91Å; R346-D404 PolarHBondContact NH2-OD2 3.16Å; R346-H678 PolarHBondContact NH2-CE1 3.01Å; R346-H678 VanDerWaalsContact NH2-CE1 3.3Å; R346-H678 PolarHBondContact NH2-NE2 2.73Å
347T79.1Confident89.7Confident92 Ų9238.1 Ų38.156%0.56419%0.187SC*.SBendtrans-120.5-18.4-177.758.30000113G345G345-T347 VanDerWaalsContact C-N 3.28Å; G345-T347 PolarHBondContact O-N 2.64Å
348Q86.9Confident89.8Confident43 Ų4337.4 Ų37.420%0.20118%0.183CC..  trans-93.4133.3-173.8-65.2175.1-15.300110.9G345 F406 T407G345-Q348 PolarHBondContact N-O 2.91Å; Q348-F406 PolarHBondContact OE1-O 3.22Å; Q348-F406 VanDerWaalsContact OE1-O 3.12Å; Q348-T407 PolarHBondContact OE1-OG1 2.92Å
349K92.8Very high89.8Confident26 Ų2636.2 Ų36.211%0.11318%0.177CC..EExtended strand (participates in β ladder)trans-121.8114.1169.7-60-170165.257.70107.9T321 L344 T360 W361 F384 L682T321-K349 WeakPolarHBondContact OG1-CE 3.43Å; L344-K349 HydrophobicContact CD2-CB 4.1Å; L344-K349 HydrophobicContact CD2-CD 4.34Å; L344-K349 HydrophobicContact CD2-CG 3.58Å; K349-T360 WeakPolarHBondContact O-CA 3.29Å; K349-W361 HydrophobicContact CB-CB 4.08Å; K349-W361 HydrophobicContact CB-CE3 4.24Å; K349-W361 PolarHBondContact O-N 3.14Å; K349-F384 HydrophobicContact CD-CE1 4.15Å; K349-L682 HydrophobicContact CB-CD2 4.13Å
350M93.7Very high89.7Confident5 Ų536.9 Ų36.93%0.02518%0.181CC..EExtended strand (participates in β ladder)trans-132.6153.2-173.2-67.8-17069.900112.3V342 S343 L358 I359 T360 W361 V400 T407 F419V342-M350 CarbonylContact C-O 3.55Å; V342-M350 WeakPolarHBondContact CA-O 3.38Å; S343-M350 PolarHBondContact N-O 3.32Å; S343-M350 PolarHBondContact O-N 3.15Å; M350-L358 HydrophobicContact CE-CB 4.44Å; M350-L358 HydrophobicContact CE-CD1 4.13Å; M350-L358 HydrophobicContact CE-CD2 3.99Å; M350-L358 HydrophobicContact CE-CG 4.43Å; M350-I359 CarbonylContact C-O 3.57Å; M350-I359 WeakPolarHBondContact CA-O 3.36Å; M350-T360 HydrophobicContact CE-CG2 4.12Å; M350-T360 HydrophobicContact CG-CG2 4.18Å; M350-W361 VanDerWaalsContact C-CZ3 3.47Å; M350-V400 HydrophobicContact CB-CG2 4.16Å; M350-V400 HydrophobicContact CE-CG2 3.98Å; M350-V400 HydrophobicContact SD-CG2 4.17Å; M350-T407 HydrophobicContact CE-CG2 3.88Å; M350-T407 HydrophobicContact SD-CG2 3.5Å; M350-T407 VanDerWaalsContact SD-CG2 3.5Å; M350-T407 PolarHBondContact SD-OG1 2.83Å; M350-F419 HydrophobicContact CE-CZ 3.97Å; M350-F419 HydrophobicContact SD-CZ 4.44Å
351G93.4Very high89.6Confident0 Ų033.1 Ų33.10%016%0.161CC..EExtended strand (participates in β ladder)trans-146.7153.7174.800000112.6Q341 L358 I359Q341-G351 CarbonylContact O-C 3.56Å; Q341-G351 WeakPolarHBondContact O-CA 3.21Å; G351-L358 CarbonylContact O-C 3.51Å; G351-L358 WeakPolarHBondContact O-CA 3.46Å; G351-I359 PolarHBondContact N-O 3.45Å; G351-I359 PolarHBondContact O-N 3.29Å
352V93.4Very high89Confident1 Ų135.2 Ų35.21%0.00617%0.171CC..EExtended strand (participates in β ladder)trans-108.4128.3174.41760000108.5L340 Q341 L358 I397 V400L340-V352 PolarHBondContact N-O 2.82Å; Q341-V352 HydrophobicContact CB-CB 4.46Å; Q341-V352 PolarHBondContact N-O 2.82Å; Q341-V352 PolarHBondContact O-N 3.47Å; V352-L358 HydrophobicContact CG2-CD2 3.62Å; V352-I397 HydrophobicContact CG1-CG2 4.48Å; V352-I397 VanDerWaalsContact CG1-O 3.28Å; V352-I397 WeakPolarHBondContact CG1-O 3.31Å; V352-I397 HydrophobicContact CG2-CG2 3.87Å; V352-V400 HydrophobicContact CG2-CB 3.76Å; V352-V400 HydrophobicContact CG2-CG1 3.62Å
353T91.3Very high87.8Confident1 Ų137.7 Ų37.71%0.00619%0.192CC..EExtended strand (participates in β ladder)trans-87.3161.417663.20000112.1T337 E338 S355 G356 R357 I359 F388T337-T353 HydrophobicContact CG2-CG2 3.59Å; E338-T353 CarbonylContact O-C 3.46Å; E338-T353 WeakPolarHBondContact O-CA 3.44Å; E338-T353 WeakPolarHBondContact O-CB 3.35Å; T353-S355 PolarHBondContact O-N 2.81Å; T353-S355 PolarHBondContact OG1-OG 3.12Å; T353-G356 WeakPolarHBondContact O-CA 3.4Å; T353-G356 PolarHBondContact O-N 3.16Å; T353-R357 PolarHBondContact N-O 3.5Å; T353-R357 PolarHBondContact OG1-N 3.1Å; T353-R357 PolarHBondContact OG1-O 2.94Å; T353-I359 HydrophobicContact CG2-CD1 3.25Å; T353-I359 HydrophobicContact CG2-CG1 3.72Å; T353-F388 HydrophobicContact CG2-CE1 4.17Å
354K88.4Confident86.1Confident134 Ų13440.7 Ų40.758%0.58321%0.212SC*.THydrogen-bonded Turntrans-59.3-26.2172-175.9171.6-178.7-178.80114.1E338 L340 G356E338-K354 HydrophobicContact CB-CB 3.98Å; E338-K354 HydrophobicContact CB-CD 4.29Å; E338-K354 HydrophobicContact CG-CB 4.37Å; E338-K354 HydrophobicContact CG-CD 4.34Å; E338-K354 PolarHBondContact O-N 3.32Å; E338-K354 WeakPolarHBondContact OE2-CD 3.23Å; E338-K354 IonicContact OE2-NZ 3.9Å; E338-K354 PolarHBondContact OE2-NZ 3.39Å; L340-K354 HydrophobicContact CD1-CB 4.19Å; L340-K354 HydrophobicContact CD1-CG 4.5Å; L340-K354 HydrophobicContact CD2-CB 4.19Å; L340-K354 HydrophobicContact CG-CB 4.08Å; K354-G356 PolarHBondContact O-N 2.73Å
355S82.7Confident83.9Confident71 Ų7145.5 Ų45.550%0.49725%0.246SC..THydrogen-bonded Turntrans-73.6-2.9172.770.30000113.8T353T353-S355 PolarHBondContact O-N 2.81Å; T353-S355 PolarHBondContact OG1-OG 3.12Å
356G83.3Confident81.7Confident3 Ų352 Ų523%0.03129%0.285CS..SBendtrans77.419-176.900000114T353 K354 Q392 I397T353-G356 WeakPolarHBondContact O-CA 3.4Å; T353-G356 PolarHBondContact O-N 3.16Å; K354-G356 PolarHBondContact O-N 2.73Å; G356-Q392 PolarHBondContact O-NE2 3.18Å; G356-I397 VanDerWaalsContact CA-O 3.29Å; G356-I397 WeakPolarHBondContact CA-O 2.93Å; G356-I397 PolarHBondContact O-N 3.08Å
357R83.9Confident79.1Confident96 Ų9652.3 Ų52.336%0.36230%0.299SS..  trans-97.5144177.3-61.6-173.472.4-174.83.7112.2T353 F388 Q392T353-R357 PolarHBondContact N-O 3.5Å; T353-R357 PolarHBondContact OG1-N 3.1Å; T353-R357 PolarHBondContact OG1-O 2.94Å; R357-F388 HydrophobicContact CB-CD1 3.7Å; R357-F388 HydrophobicContact CB-CE1 3.69Å; R357-F388 VanDerWaalsContact CZ-CD2 3.46Å; R357-F388 VanDerWaalsContact CZ-CG 3.41Å; R357-F388 VanDerWaalsContact NH1-CD2 3.31Å; R357-F388 VanDerWaalsContact NH2-CB 3.29Å; R357-Q392 VanDerWaalsContact CA-OE1 3.3Å
358L86.6Confident77Confident2 Ų254.4 Ų54.41%0.0132%0.317CS..EExtended strand (participates in β ladder)trans-85.4131.2173.7-74.7170.5000111M350 G351 V352 F388 L389 I397 V400 C409M350-L358 HydrophobicContact CE-CB 4.44Å; M350-L358 HydrophobicContact CE-CD1 4.13Å; M350-L358 HydrophobicContact CE-CD2 3.99Å; M350-L358 HydrophobicContact CE-CG 4.43Å; G351-L358 CarbonylContact O-C 3.51Å; G351-L358 WeakPolarHBondContact O-CA 3.46Å; V352-L358 HydrophobicContact CG2-CD2 3.62Å; L358-F388 VanDerWaalsContact O-CA 3.3Å; L358-F388 WeakPolarHBondContact O-CA 3.46Å; L358-F388 WeakPolarHBondContact O-CD1 3.3Å; L358-L389 HydrophobicContact CB-CB 4.07Å; L358-L389 HydrophobicContact CD1-CD2 3.92Å; L358-L389 PolarHBondContact O-N 3.33Å; L358-L389 VanDerWaalsContact O-N 3.07Å; L358-I397 HydrophobicContact CD1-CG1 4.07Å; L358-I397 HydrophobicContact CD1-CG2 4.44Å; L358-I397 HydrophobicContact CD2-CG2 3.96Å; L358-I397 HydrophobicContact CG-CB 4.27Å; L358-I397 HydrophobicContact CG-CG1 4.04Å; L358-I397 HydrophobicContact CG-CG2 4.1Å; L358-V400 HydrophobicContact CD2-CB 3.91Å; L358-V400 HydrophobicContact CD2-CG1 4.46Å; L358-V400 HydrophobicContact CD2-CG2 3.98Å; L358-C409 HydrophobicContact CD1-CB 3.99Å
359I89.9Confident74.4Confident0 Ų055.4 Ų55.40%034%0.339CS..EExtended strand (participates in β ladder)trans-110.1135.5170.6-61.8175.4000108.4T337 M350 G351 T353 W361 R387 F388T337-I359 HydrophobicContact CG2-CD1 3.71Å; M350-I359 CarbonylContact C-O 3.57Å; M350-I359 WeakPolarHBondContact CA-O 3.36Å; G351-I359 PolarHBondContact N-O 3.45Å; G351-I359 PolarHBondContact O-N 3.29Å; T353-I359 HydrophobicContact CG2-CD1 3.25Å; T353-I359 HydrophobicContact CG2-CG1 3.72Å; I359-W361 HydrophobicContact CB-CH2 4.32Å; I359-W361 HydrophobicContact CB-CZ2 4.32Å; I359-W361 HydrophobicContact CG2-CD2 4.2Å; I359-W361 HydrophobicContact CG2-CH2 4.09Å; I359-W361 HydrophobicContact CG2-CZ2 3.67Å; I359-R387 CarbonylContact C-O 3.55Å; I359-R387 VanDerWaalsContact CA-O 3.31Å; I359-R387 WeakPolarHBondContact CA-O 3.43Å; I359-F388 HydrophobicContact CD1-CE1 3.99Å; I359-F388 HydrophobicContact CG1-CD1 3.75Å; I359-F388 HydrophobicContact CG1-CE1 3.59Å
360T90.3Very high71.2Confident14 Ų1463.3 Ų63.39%0.08638%0.376CS..EExtended strand (participates in β ladder)trans-111.5143.1168.668.60000109.7K349 M350 E362 S386 R387K349-T360 WeakPolarHBondContact O-CA 3.29Å; M350-T360 HydrophobicContact CE-CG2 4.12Å; M350-T360 HydrophobicContact CG-CG2 4.18Å; T360-E362 PolarHBondContact OG1-OE1 3.35Å; T360-E362 VanDerWaalsContact OG1-OE1 3.14Å; T360-S386 WeakPolarHBondContact O-CA 3.31Å; T360-R387 PolarHBondContact N-O 2.85Å; T360-R387 PolarHBondContact O-N 2.76Å
361W90.5Very high68.3Low4 Ų468 Ų682%0.01542%0.415CS..EExtended strand (participates in β ladder)trans-114109.5169.1-62.5-88.4000109.5V319 L332 P333 M334 K349 M350 I359 F384 I385 L682V319-W361 HydrophobicContact CB-CH2 4.46Å; V319-W361 HydrophobicContact CB-CZ2 4.12Å; V319-W361 HydrophobicContact CG1-CH2 4.11Å; V319-W361 HydrophobicContact CG1-CZ2 4.14Å; V319-W361 HydrophobicContact CG1-CZ3 4.47Å; V319-W361 HydrophobicContact CG2-CH2 4.01Å; V319-W361 HydrophobicContact CG2-CZ2 3.82Å; L332-W361 HydrophobicContact CD1-CB 4.07Å; L332-W361 HydrophobicContact CD1-CD2 3.93Å; L332-W361 HydrophobicContact CD1-CG 3.69Å; P333-W361 PolarHBondContact O-NE1 2.86Å; P333-W361 VanDerWaalsContact O-NE1 3.09Å; M334-W361 HydrophobicContact CE-CZ2 4.43Å; M334-W361 HydrophobicContact SD-CZ2 3.51Å; M334-W361 VanDerWaalsContact SD-CZ2 3.51Å; K349-W361 HydrophobicContact CB-CB 4.08Å; K349-W361 HydrophobicContact CB-CE3 4.24Å; K349-W361 PolarHBondContact O-N 3.14Å; M350-W361 VanDerWaalsContact C-CZ3 3.47Å; I359-W361 HydrophobicContact CB-CH2 4.32Å; I359-W361 HydrophobicContact CB-CZ2 4.32Å; I359-W361 HydrophobicContact CG2-CD2 4.2Å; I359-W361 HydrophobicContact CG2-CH2 4.09Å; I359-W361 HydrophobicContact CG2-CZ2 3.67Å; W361-F384 HydrophobicContact CB-CD1 4.4Å; W361-I385 WeakPolarHBondContact CA-O 3.43Å; W361-L682 HydrophobicContact CE3-CD2 4.3Å; W361-L682 HydrophobicContact CZ3-CD2 4.12Å
362E82.2Confident65.5Low103 Ų10373.5 Ų73.548%0.48145%0.454SS..EExtended strand (participates in β ladder)trans-112.2138.3-176.6-70.4167-156.300109.8T360 F384 I385T360-E362 PolarHBondContact OG1-OE1 3.35Å; T360-E362 VanDerWaalsContact OG1-OE1 3.14Å; E362-F384 WeakPolarHBondContact O-CA 3.34Å; E362-I385 PolarHBondContact N-O 2.87Å; E362-I385 VanDerWaalsContact N-O 3.12Å; E362-I385 PolarHBondContact O-N 3.05Å
363A72.4Confident62.6Low57 Ų5780.9 Ų80.947%0.47149%0.492SS..  trans-78.6139.6164.100000108S365 F384A363-S365 PolarHBondContact O-N 3.32Å; A363-S365 VanDerWaalsContact O-N 3.14Å; A363-F384 HydrophobicContact CB-CD1 4.4Å; A363-F384 HydrophobicContact CB-CE1 4.16Å
364P59.6Low59.8Low73 Ų7387 Ų8747%0.47453%0.532SS..  trans-58.1122.6177.920.8-28.8000108.8V366 L383P364-V366 PolarHBondContact O-N 2.87Å; P364-V366 VanDerWaalsContact O-N 3.08Å; P364-L383 WeakPolarHBondContact CD-O 3.24Å
365S48.8Very low57.4Low110 Ų11084 Ų8477%0.76954%0.54SS*.  trans-60.6112.5172.140.90000108.2A363 V367A363-S365 PolarHBondContact O-N 3.32Å; A363-S365 VanDerWaalsContact O-N 3.14Å; S365-V367 PolarHBondContact O-N 3.48Å
366V41.7Very low55Low139 Ų13988.4 Ų88.484%0.84256%0.557SS**  trans-58110.4173.5-173.60000107.1P364 C368P364-V366 PolarHBondContact O-N 2.87Å; P364-V366 VanDerWaalsContact O-N 3.08Å; V366-C368 PolarHBondContact O-N 2.83Å
367V30.6Very low52.8Low124 Ų12495 Ų9575%0.75260%0.596SS**  trans-62.3119167.3-178.50000105.7S365 G369S365-V367 PolarHBondContact O-N 3.48Å; V367-G369 PolarHBondContact O-N 3.18Å
368C34.3Very low50.5Low137 Ų13796.5 Ų96.593%0.92661%0.611SS**SBendtrans-61.8101.4176-157.30000107.9V366V366-C368 PolarHBondContact O-N 2.83Å
369G32Very low48.3Very low64 Ų64104.5 Ų104.566%0.6665%0.648SS**  trans168.233.4-173.200000115.7V367V367-G369 PolarHBondContact O-N 3.18Å
370E26.2Very low46.3Very low191 Ų191112.6 Ų112.689%0.89369%0.688SS**  trans-164.8114.1151.7-111.4171.4-153.800108.9S372E370-S372 PolarHBondContact O-N 3.29Å; E370-S372 VanDerWaalsContact O-N 3.13Å
371A33.7Very low44.5Very low103 Ų103118.6 Ų118.685%0.85172%0.715SS**  trans-68.8106.6172.400000108.3L373A371-L373 PolarHBondContact O-N 2.71Å
372S34.5Very low43.1Very low116 Ų116121 Ų12181%0.81173%0.732SS**  trans-63.6120.4167.449.90000109.2E370E370-S372 PolarHBondContact O-N 3.29Å; E370-S372 VanDerWaalsContact O-N 3.13Å
373L32.5Very low42.4Very low156 Ų156122.8 Ų122.882%0.81774%0.743SS**  trans-51.1142176.2-75.4153.7000111.7A371 G375A371-L373 PolarHBondContact O-N 2.71Å; L373-G375 PolarHBondContact O-N 2.88Å
374P31Very low42.7Very low131 Ų131121.1 Ų121.185%0.85173%0.726SS**THydrogen-bonded Turntrans-72.3112.8178.928.9-31000109.8
375G38.9Very low43.2Very low71 Ų71121.3 Ų121.373%0.73272%0.722SS**THydrogen-bonded Turntrans153.1-13.3170.600000118.4L373 V377L373-G375 PolarHBondContact O-N 2.88Å; G375-V377 PolarHBondContact O-N 2.83Å
376L32.8Very low44.6Very low163 Ų163117.1 Ų117.185%0.85369%0.693SS**  trans-90.899.3174.5-100.1106.6000111D378L376-D378 VanDerWaalsContact C-N 3.3Å; L376-D378 PolarHBondContact O-N 2.83Å
377V35.6Very low46.1Very low141 Ų141116.8 Ų116.886%0.85568%0.676SS**  trans-91.869.4166.7-158.40000107.9G375G375-V377 PolarHBondContact O-N 2.83Å
378D37.4Very low48.2Very low128 Ų128113.2 Ų113.268%0.68465%0.651SS**  trans-113113.3160.2-144.40.9000106.2L376 M380L376-D378 VanDerWaalsContact C-N 3.3Å; L376-D378 PolarHBondContact O-N 2.83Å; D378-M380 PolarHBondContact O-N 3.22Å
379Q40.3Very low49.9Very low170 Ų170108.3 Ų108.379%0.79462%0.615SS**  trans-66.682.5-179.4-81.4-178.9-14.200108.7Q381Q379-Q381 PolarHBondContact O-N 3.37Å
380M46.7Very low51.1Low169 Ų169113.4 Ų113.483%0.83362%0.622SS**  trans-58.1110.4167.9-70-105.377.500107.3D378D378-M380 PolarHBondContact O-N 3.22Å
381Q53.5Low52.3Low140 Ų140107.9 Ų107.965%0.65462%0.616SS**  trans-56.6139.3174.7-74.3-171.9-11.400109.3Q379 L383Q379-Q381 PolarHBondContact O-N 3.37Å; Q381-L383 PolarHBondContact O-N 2.96Å; Q381-L383 VanDerWaalsContact O-N 3.09Å
382P60.4Low53.3Low56 Ų56104.8 Ų104.836%0.36458%0.584SS.*  trans-60.8118.8179.322.6-30.6000109.8I326 L330 F384I326-P382 HydrophobicContact CD1-CG 3.66Å; I326-P382 HydrophobicContact CG1-CG 3.79Å; L330-P382 HydrophobicContact CD2-CG 4.18Å; P382-F384 HydrophobicContact CB-CD2 4.44Å; P382-F384 HydrophobicContact CB-CE2 3.89Å; P382-F384 HydrophobicContact CB-CZ 4.39Å; P382-F384 HydrophobicContact CG-CE2 3.83Å; P382-F384 WeakPolarHBondContact O-CD2 3.23Å; P382-F384 PolarHBondContact O-N 2.98Å
383L68.3Low53.8Low139 Ų139102.1 Ų102.173%0.72857%0.565SS**  trans-73.3115.1174.1-74.7158000108.1P364 Q381P364-L383 WeakPolarHBondContact CD-O 3.24Å; Q381-L383 PolarHBondContact O-N 2.96Å; Q381-L383 VanDerWaalsContact O-N 3.09Å
384F77.3Confident54.9Low23 Ų2398.8 Ų98.810%0.10157%0.569CS.*  trans-97.3151.3172.3-73.5-86.5000110.6T321 I326 L330 L332 P333 K349 W361 E362 A363 P382T321-F384 HydrophobicContact CG2-CE2 4.15Å; T321-F384 HydrophobicContact CG2-CZ 4.44Å; I326-F384 HydrophobicContact CD1-CE2 4.02Å; I326-F384 HydrophobicContact CD1-CZ 4.34Å; L330-F384 HydrophobicContact CD2-CD2 4.13Å; L330-F384 HydrophobicContact CD2-CE2 4.03Å; L332-F384 HydrophobicContact CD2-CB 3.72Å; L332-F384 HydrophobicContact CD2-CD1 4.23Å; L332-F384 HydrophobicContact CD2-CD2 3.4Å; L332-F384 HydrophobicContact CD2-CE2 4.02Å; L332-F384 HydrophobicContact CD2-CG 3.51Å; P333-F384 WeakPolarHBondContact CG-O 3.29Å; K349-F384 HydrophobicContact CD-CE1 4.15Å; W361-F384 HydrophobicContact CB-CD1 4.4Å; E362-F384 WeakPolarHBondContact O-CA 3.34Å; A363-F384 HydrophobicContact CB-CD1 4.4Å; A363-F384 HydrophobicContact CB-CE1 4.16Å; P382-F384 HydrophobicContact CB-CD2 4.44Å; P382-F384 HydrophobicContact CB-CE2 3.89Å; P382-F384 HydrophobicContact CB-CZ 4.39Å; P382-F384 HydrophobicContact CG-CE2 3.83Å; P382-F384 WeakPolarHBondContact O-CD2 3.23Å; P382-F384 PolarHBondContact O-N 2.98Å
385I71.2Confident56.5Low76 Ų7695 Ų9539%0.3954%0.543SS..EExtended strand (participates in β ladder)trans-119.2127.7171.9-55.3175.2000108.2W361 E362 R387W361-I385 WeakPolarHBondContact CA-O 3.43Å; E362-I385 PolarHBondContact N-O 2.87Å; E362-I385 VanDerWaalsContact N-O 3.12Å; E362-I385 PolarHBondContact O-N 3.05Å; I385-R387 HydrophobicContact CG2-CG 4.08Å
386S77.3Confident58.4Low22 Ų2294.2 Ų94.215%0.15452%0.524CS..EExtended strand (participates in β ladder)trans-87.6127.5171.763.50000110.5P333 T360P333-S386 WeakPolarHBondContact O-CB 3.47Å; T360-S386 WeakPolarHBondContact O-CA 3.31Å
387R73.9Confident61Low132 Ų13286.7 Ų86.750%0.49849%0.485SS..EExtended strand (participates in β ladder)trans-132.1144.8174.1-64.9-175.2180172.31.4110.8I359 T360 I385I359-R387 CarbonylContact C-O 3.55Å; I359-R387 VanDerWaalsContact CA-O 3.31Å; I359-R387 WeakPolarHBondContact CA-O 3.43Å; T360-R387 PolarHBondContact N-O 2.85Å; T360-R387 PolarHBondContact O-N 2.76Å; I385-R387 HydrophobicContact CG2-CG 4.08Å
388F74.6Confident63.6Low49 Ų4985.8 Ų85.822%0.21547%0.469CS..EExtended strand (participates in β ladder)trans-74.2142.2162-71.8-63.9000108.8L335 T353 R357 L358 I359 E390L335-F388 HydrophobicContact CD1-CD2 3.62Å; L335-F388 HydrophobicContact CD1-CE1 4.4Å; L335-F388 HydrophobicContact CD1-CE2 3.24Å; L335-F388 HydrophobicContact CD1-CG 4.37Å; L335-F388 HydrophobicContact CD1-CZ 3.68Å; T353-F388 HydrophobicContact CG2-CE1 4.17Å; R357-F388 HydrophobicContact CB-CD1 3.7Å; R357-F388 HydrophobicContact CB-CE1 3.69Å; R357-F388 VanDerWaalsContact CZ-CD2 3.46Å; R357-F388 VanDerWaalsContact CZ-CG 3.41Å; R357-F388 VanDerWaalsContact NH1-CD2 3.31Å; R357-F388 VanDerWaalsContact NH2-CB 3.29Å; L358-F388 VanDerWaalsContact O-CA 3.3Å; L358-F388 WeakPolarHBondContact O-CA 3.46Å; L358-F388 WeakPolarHBondContact O-CD1 3.3Å; I359-F388 HydrophobicContact CD1-CE1 3.99Å; I359-F388 HydrophobicContact CG1-CD1 3.75Å; I359-F388 HydrophobicContact CG1-CE1 3.59Å; F388-E390 PolarHBondContact O-N 2.72Å
389L70.6Confident66.3Low35 Ų3580.6 Ų80.618%0.18344%0.443CS..PPolyproline II helixtrans-59123.3173.3-164.971.7000109.6L358 F419 P438L358-L389 HydrophobicContact CB-CB 4.07Å; L358-L389 HydrophobicContact CD1-CD2 3.92Å; L358-L389 PolarHBondContact O-N 3.33Å; L358-L389 VanDerWaalsContact O-N 3.07Å; L389-F419 HydrophobicContact CD2-CZ 4.16Å; L389-P438 HydrophobicContact CD2-CG 3.59Å
390E56Low68.9Low170 Ų17072.6 Ų72.679%0.79441%0.406SS*.THydrogen-bonded Turntrans-66.9148.6179.9-66.8-175.5-179.800111F388 Q392F388-E390 PolarHBondContact O-N 2.72Å; E390-Q392 VanDerWaalsContact C-N 3.25Å; E390-Q392 PolarHBondContact O-N 3.44Å
391G51.8Low71.3Confident75 Ų7565.3 Ų65.377%0.77337%0.371SS*.THydrogen-bonded Turntrans772.9-179.800000115.3S393G391-S393 VanDerWaalsContact C-N 3.25Å; G391-S393 PolarHBondContact O-N 3.36Å
392Q54.6Low73.4Confident38 Ų3859 Ų5918%0.17834%0.343CS..  trans-76.769.8173.7-162.4-164.1-11.800111.9G356 R357 E390 V395G356-Q392 PolarHBondContact O-NE2 3.18Å; R357-Q392 VanDerWaalsContact CA-OE1 3.3Å; E390-Q392 VanDerWaalsContact C-N 3.25Å; E390-Q392 PolarHBondContact O-N 3.44Å; Q392-V395 PolarHBondContact NE2-O 2.91Å
393S46.5Very low75Confident60 Ų6056.4 Ų56.442%0.4233%0.326SS..  trans-106123.3172.859.20000110.8G391G391-S393 VanDerWaalsContact C-N 3.25Å; G391-S393 PolarHBondContact O-N 3.36Å
394G55Low76.1Confident86 Ų8650.4 Ų50.489%0.88730%0.295SS*.SBendtrans90.90169.300000117.1
395V64.8Low76.8Confident51 Ų5153.5 Ų53.531%0.30931%0.312SS..  trans-125.1124.8178.7-1760000111.2Q392 I397 T411 M417Q392-V395 PolarHBondContact NE2-O 2.91Å; V395-I397 HydrophobicContact CG1-CD1 4.18Å; V395-T411 HydrophobicContact CG1-CG2 3.29Å; V395-M417 HydrophobicContact CG1-CE 4.01Å
396T79.1Confident77.9Confident56 Ų5650 Ų5034%0.34429%0.294SS..  trans-90114.2176.6-64.20000109.2T411 D412T396-T411 CarbonylContact O-C 3.57Å; T396-T411 VanDerWaalsContact O-CA 3.24Å; T396-T411 WeakPolarHBondContact O-CA 3.37Å; T396-D412 HydrophobicContact CG2-CB 4.08Å; T396-D412 PolarHBondContact O-N 2.81Å
397I86.3Confident78.8Confident5 Ų549 Ų493%0.02629%0.287CS..EExtended strand (participates in β ladder)trans-83.7127.1175.6-57-59.8000109V352 G356 L358 V395 S399 C409 T411 M417V352-I397 HydrophobicContact CG1-CG2 4.48Å; V352-I397 VanDerWaalsContact CG1-O 3.28Å; V352-I397 WeakPolarHBondContact CG1-O 3.31Å; V352-I397 HydrophobicContact CG2-CG2 3.87Å; G356-I397 VanDerWaalsContact CA-O 3.29Å; G356-I397 WeakPolarHBondContact CA-O 2.93Å; G356-I397 PolarHBondContact O-N 3.08Å; L358-I397 HydrophobicContact CD1-CG1 4.07Å; L358-I397 HydrophobicContact CD1-CG2 4.44Å; L358-I397 HydrophobicContact CD2-CG2 3.96Å; L358-I397 HydrophobicContact CG-CB 4.27Å; L358-I397 HydrophobicContact CG-CG1 4.04Å; L358-I397 HydrophobicContact CG-CG2 4.1Å; V395-I397 HydrophobicContact CG1-CD1 4.18Å; I397-S399 VanDerWaalsContact CG2-O 3.3Å; I397-S399 WeakPolarHBondContact CG2-O 3.34Å; I397-C409 HydrophobicContact CD1-CB 4.19Å; I397-C409 HydrophobicContact CG2-CB 4.04Å; I397-T411 HydrophobicContact CD1-CG2 4.21Å; I397-M417 HydrophobicContact CD1-CE 3.46Å; I397-M417 VanDerWaalsContact CD1-CE 3.46Å
398K89.3Confident79.8Confident121 Ų12142.8 Ų42.853%0.52626%0.264SS..EExtended strand (participates in β ladder)trans-93.3-40.3178.6-178.5178.5177.3-174.80111.7M410 D412K398-M410 HydrophobicContact CD-CE 4.14Å; K398-M410 PolarHBondContact N-O 2.93Å; K398-D412 HydrophobicContact CB-CB 4.48Å
399S94.6Very high80.7Confident20 Ų2040.5 Ų40.514%0.1425%0.254CS..EExtended strand (participates in β ladder)trans-146.3160.2179.365.30000112.9I397 C409 M410I397-S399 VanDerWaalsContact CG2-O 3.3Å; I397-S399 WeakPolarHBondContact CG2-O 3.34Å; S399-C409 WeakPolarHBondContact O-CA 3.34Å; S399-M410 PolarHBondContact N-O 2.89Å; S399-M410 PolarHBondContact O-N 2.96Å; S399-M410 WeakPolarHBondContact OG-CB 3.35Å; S399-M410 VanDerWaalsContact OG-CE 3.31Å; S399-M410 WeakPolarHBondContact OG-CE 3.26Å
400V96.2Very high81.7Confident1 Ų139 Ų391%0.00625%0.246CC..EExtended strand (participates in β ladder)trans-133.7143.517765.30000109.6Q341 M350 V352 L358 T407 T408Q341-V400 PolarHBondContact NE2-O 3.42Å; M350-V400 HydrophobicContact CB-CG2 4.16Å; M350-V400 HydrophobicContact CE-CG2 3.98Å; M350-V400 HydrophobicContact SD-CG2 4.17Å; V352-V400 HydrophobicContact CG2-CB 3.76Å; V352-V400 HydrophobicContact CG2-CG1 3.62Å; L358-V400 HydrophobicContact CD2-CB 3.91Å; L358-V400 HydrophobicContact CD2-CG1 4.46Å; L358-V400 HydrophobicContact CD2-CG2 3.98Å; V400-T407 HydrophobicContact CG2-CG2 3.74Å; V400-T408 WeakPolarHBondContact CA-O 3.45Å; V400-T408 WeakPolarHBondContact CG2-O 3.22Å
401S96.9Very high83Confident16 Ų1631.2 Ų31.211%0.11221%0.21CC..EExtended strand (participates in β ladder)trans-141132.8170.8-167.80000109.6S343 T408 C454S343-S401 WeakPolarHBondContact OG-CA 3.31Å; S401-T408 PolarHBondContact N-O 3.03Å; S401-T408 PolarHBondContact O-N 3.2Å; S401-T408 PolarHBondContact O-OG1 2.78Å; S401-C454 PolarHBondContact O-SG 2.9Å; S401-C454 VanDerWaalsContact O-SG 3.34Å; S401-C454 WeakPolarHBondContact OG-CB 3.31Å; S401-C454 PolarHBondContact OG-N 3.06Å
402C96.3Very high84.4Confident7 Ų731.1 Ų31.15%0.04719%0.192CC..EExtended strand (participates in β ladder)trans-111.6132.4-174.2-60.90000109.4S343 T407S343-C402 WeakPolarHBondContact OG-CB 3.08Å; S343-C402 PolarHBondContact OG-N 2.86Å; S343-C402 PolarHBondContact OG-SG 2.93Å; C402-T407 PolarHBondContact SG-OG1 2.91Å
403G94.8Very high85.3Confident2 Ų236.2 Ų36.22%0.02121%0.209CC..  trans-92.2-164.8161.900000111.5G345 L405 F406 G455G345-G403 WeakPolarHBondContact CA-O 3.27Å; G403-L405 PolarHBondContact O-N 3.24Å; G403-F406 PolarHBondContact N-O 2.89Å; G403-G455 WeakPolarHBondContact CA-O 3.28Å
404D92.3Very high86.7Confident13 Ų1333.6 Ų33.67%0.0719%0.192CC..SBendtrans-64.4-41.7-176-83.9-12.9000112.9R346 A456 H678R346-D404 HydrophobicContact CB-CB 4.19Å; R346-D404 IonicContact CZ-OD1 2.88Å; R346-D404 IonicContact CZ-OD2 3.85Å; R346-D404 IonicContact NE-OD1 3.95Å; R346-D404 IonicContact NE-OD2 2.64Å; R346-D404 IonicContact NH1-OD2 3.12Å; R346-D404 PolarHBondContact NH1-OD2 3.25Å; R346-D404 IonicContact NH2-OD1 3.82Å; R346-D404 IonicContact NH2-OD2 3.91Å; R346-D404 PolarHBondContact NH2-OD2 3.16Å; D404-A456 WeakPolarHBondContact CB-O 3.14Å; D404-A456 PolarHBondContact N-O 2.95Å; D404-A456 VanDerWaalsContact N-O 3.15Å; D404-H678 IonicContact OD1-CD2 3.85Å; D404-H678 IonicContact OD1-CE1 3.07Å; D404-H678 IonicContact OD1-NE2 3.49Å; D404-H678 PolarHBondContact OD1-NE2 2.7Å; D404-H678 IonicContact OD2-NE2 3.91Å
405L91.9Very high88Confident89 Ų8932.5 Ų32.547%0.46617%0.165SC..SBendtrans-134.210.5-173.1-61.9176.4000113.1G403 S421G403-L405 PolarHBondContact O-N 3.24Å; L405-S421 PolarHBondContact O-N 2.92Å
406F94.4Very high89.1Confident3 Ų330.3 Ų30.31%0.01315%0.151CC..EExtended strand (participates in β ladder)trans-145159.6-177.778-77.2000110.9Q348 G403 T408 F419 C426 L427 C454 V459Q348-F406 PolarHBondContact OE1-O 3.22Å; Q348-F406 VanDerWaalsContact OE1-O 3.12Å; G403-F406 PolarHBondContact N-O 2.89Å; F406-T408 HydrophobicContact CD2-CG2 4.27Å; F406-T408 HydrophobicContact CE2-CG2 3.84Å; F406-F419 CarbonylContact C-O 3.36Å; F406-F419 WeakPolarHBondContact CA-O 3.34Å; F406-C426 HydrophobicContact CD1-CB 4.03Å; F406-C426 WeakPolarHBondContact CD1-SG 3.36Å; F406-C426 HydrophobicContact CD2-CB 4.32Å; F406-C426 HydrophobicContact CE1-CB 3.68Å; F406-C426 HydrophobicContact CE2-CB 4Å; F406-C426 HydrophobicContact CG-CB 4.33Å; F406-C426 HydrophobicContact CZ-CB 3.68Å; F406-L427 HydrophobicContact CB-CD2 3.81Å; F406-L427 HydrophobicContact CD2-CD2 4.1Å; F406-L427 HydrophobicContact CG-CD2 4.29Å; F406-C454 HydrophobicContact CE2-CB 4.44Å; F406-C454 HydrophobicContact CZ-CB 4.1Å; F406-V459 HydrophobicContact CE2-CG2 3.47Å; F406-V459 VanDerWaalsContact CE2-CG2 3.47Å; F406-V459 HydrophobicContact CZ-CG2 3.68Å
407T94.4Very high89.5Confident0 Ų028.7 Ų28.70%014%0.14CC..EExtended strand (participates in β ladder)trans-129.1141.9178.3-75.20000109.8Q348 M350 V400 C402 T418 F419Q348-T407 PolarHBondContact OE1-OG1 2.92Å; M350-T407 HydrophobicContact CE-CG2 3.88Å; M350-T407 HydrophobicContact SD-CG2 3.5Å; M350-T407 VanDerWaalsContact SD-CG2 3.5Å; M350-T407 PolarHBondContact SD-OG1 2.83Å; V400-T407 HydrophobicContact CG2-CG2 3.74Å; C402-T407 PolarHBondContact SG-OG1 2.91Å; T407-T418 VanDerWaalsContact O-CA 3.32Å; T407-T418 WeakPolarHBondContact O-CA 3.39Å; T407-F419 HydrophobicContact CG2-CD1 4.5Å; T407-F419 HydrophobicContact CG2-CE1 3.62Å; T407-F419 HydrophobicContact CG2-CE2 4.46Å; T407-F419 HydrophobicContact CG2-CZ 3.6Å; T407-F419 PolarHBondContact N-O 2.95Å; T407-F419 PolarHBondContact O-N 3.03Å
408T95.3Very high89.7Confident2 Ų228.5 Ų28.51%0.01214%0.139CC..EExtended strand (participates in β ladder)trans-109.4142164.670.30000108.8V400 S401 F406 I416 M417 T418 V452 C454 V459V400-T408 WeakPolarHBondContact CA-O 3.45Å; V400-T408 WeakPolarHBondContact CG2-O 3.22Å; S401-T408 PolarHBondContact N-O 3.03Å; S401-T408 PolarHBondContact O-N 3.2Å; S401-T408 PolarHBondContact O-OG1 2.78Å; F406-T408 HydrophobicContact CD2-CG2 4.27Å; F406-T408 HydrophobicContact CE2-CG2 3.84Å; T408-I416 HydrophobicContact CG2-CD1 4.32Å; T408-M417 CarbonylContact C-O 3.35Å; T408-M417 WeakPolarHBondContact CA-O 3.48Å; T408-T418 HydrophobicContact CG2-CG2 3.67Å; T408-V452 HydrophobicContact CG2-CG1 4.41Å; T408-C454 WeakPolarHBondContact CG2-SG 3.25Å; T408-C454 PolarHBondContact OG1-SG 2.96Å; T408-V459 HydrophobicContact CG2-CG1 4.28Å; T408-V459 HydrophobicContact CG2-CG2 4.03Å
409C93Very high89.7Confident1 Ų123.7 Ų23.71%0.00712%0.118CC..EExtended strand (participates in β ladder)trans-134.3136.4172580000109L358 I397 S399 M417L358-C409 HydrophobicContact CD1-CB 3.99Å; I397-C409 HydrophobicContact CD1-CB 4.19Å; I397-C409 HydrophobicContact CG2-CB 4.04Å; S399-C409 WeakPolarHBondContact O-CA 3.34Å; C409-M417 PolarHBondContact N-O 2.81Å; C409-M417 PolarHBondContact O-N 2.85Å
410M91.6Very high89.5Confident4 Ų423.7 Ų23.72%0.0212%0.121CC..EExtended strand (participates in β ladder)trans-113132-177.5-172.8-179.878.300109K398 S399 I415 L449 V450 V452K398-M410 HydrophobicContact CD-CE 4.14Å; K398-M410 PolarHBondContact N-O 2.93Å; S399-M410 PolarHBondContact N-O 2.89Å; S399-M410 PolarHBondContact O-N 2.96Å; S399-M410 WeakPolarHBondContact OG-CB 3.35Å; S399-M410 VanDerWaalsContact OG-CE 3.31Å; S399-M410 WeakPolarHBondContact OG-CE 3.26Å; M410-I415 CarbonylContact C-O 3.53Å; M410-I415 WeakPolarHBondContact CA-O 3.17Å; M410-L449 HydrophobicContact SD-CB 3.93Å; M410-V450 WeakPolarHBondContact CE-O 3.3Å; M410-V452 HydrophobicContact SD-CG2 4.03Å
411T84.1Confident89.4Confident5 Ų524.5 Ų24.53%0.03113%0.127CC..EExtended strand (participates in β ladder)trans-77.6167.4178.671.80000111.6V395 T396 I397 R413 G414 I415 M417V395-T411 HydrophobicContact CG1-CG2 3.29Å; T396-T411 CarbonylContact O-C 3.57Å; T396-T411 VanDerWaalsContact O-CA 3.24Å; T396-T411 WeakPolarHBondContact O-CA 3.37Å; I397-T411 HydrophobicContact CD1-CG2 4.21Å; T411-R413 PolarHBondContact O-N 2.84Å; T411-R413 PolarHBondContact OG1-N 3.12Å; T411-G414 PolarHBondContact O-N 2.85Å; T411-G414 VanDerWaalsContact O-N 3.13Å; T411-I415 HydrophobicContact CG2-CB 4.15Å; T411-I415 PolarHBondContact N-O 2.99Å; T411-I415 WeakPolarHBondContact OG1-CB 3.38Å; T411-I415 PolarHBondContact OG1-N 3.07Å; T411-I415 VanDerWaalsContact OG1-N 3.14Å; T411-M417 HydrophobicContact CG2-CE 3.72Å
412D80.6Confident89.1Confident73 Ų7323.7 Ų23.739%0.3912%0.122SC..THydrogen-bonded Turntrans-62.8-13.2168.967.6-22.9000113.9T396 K398T396-D412 HydrophobicContact CG2-CB 4.08Å; T396-D412 PolarHBondContact O-N 2.81Å; K398-D412 HydrophobicContact CB-CB 4.48Å
413R73.3Confident88.9Confident145 Ų14526.2 Ų26.255%0.54714%0.139SC..THydrogen-bonded Turntrans-96.88.5174.6-54.4-54.5-177137.91.6114T411 I415T411-R413 PolarHBondContact O-N 2.84Å; T411-R413 PolarHBondContact OG1-N 3.12Å; R413-I415 VanDerWaalsContact C-N 3.28Å; R413-I415 HydrophobicContact CB-CD1 4.47Å; R413-I415 HydrophobicContact CB-CG1 4.43Å; R413-I415 PolarHBondContact O-N 3.37Å
414G77.8Confident88.8Confident5 Ų528.9 Ų28.95%0.05215%0.153CC..SBendtrans70.821-179.700000114.2T411 L449T411-G414 PolarHBondContact O-N 2.85Å; T411-G414 VanDerWaalsContact O-N 3.13Å; G414-L449 WeakPolarHBondContact CA-O 3.41Å; G414-L449 WeakPolarHBondContact O-CB 3.43Å; G414-L449 PolarHBondContact O-N 2.85Å
415I81.1Confident88.8Confident64 Ų6428.2 Ų28.233%0.32815%0.15SC..  trans-90.3131.3173.7-58.3173.2000108.4M410 T411 R413 I440M410-I415 CarbonylContact C-O 3.53Å; M410-I415 WeakPolarHBondContact CA-O 3.17Å; T411-I415 HydrophobicContact CG2-CB 4.15Å; T411-I415 PolarHBondContact N-O 2.99Å; T411-I415 WeakPolarHBondContact OG1-CB 3.38Å; T411-I415 PolarHBondContact OG1-N 3.07Å; T411-I415 VanDerWaalsContact OG1-N 3.14Å; R413-I415 VanDerWaalsContact C-N 3.28Å; R413-I415 HydrophobicContact CB-CD1 4.47Å; R413-I415 HydrophobicContact CB-CG1 4.43Å; R413-I415 PolarHBondContact O-N 3.37Å; I415-I440 HydrophobicContact CG2-CD1 4.5Å; I415-I440 HydrophobicContact CG2-CG1 4.24Å; I415-I440 HydrophobicContact CG2-CG2 4.01Å
416I87.5Confident88.9Confident4 Ų424.2 Ų24.22%0.02113%0.129CC..EExtended strand (participates in β ladder)trans-96134.5174.2-172.1179.7000111.3T408 T418 V441 L444 L449 V452 W471T408-I416 HydrophobicContact CG2-CD1 4.32Å; I416-T418 HydrophobicContact CD1-CG2 4.31Å; I416-T418 HydrophobicContact CG1-CG2 4.26Å; I416-V441 HydrophobicContact CG1-CG2 4.46Å; I416-V441 HydrophobicContact CG2-CB 3.8Å; I416-V441 HydrophobicContact CG2-CG2 3.85Å; I416-V441 PolarHBondContact O-N 3.07Å; I416-V441 VanDerWaalsContact O-N 3.12Å; I416-L444 HydrophobicContact CG2-CB 4.44Å; I416-L444 HydrophobicContact CG2-CD1 3.94Å; I416-L449 HydrophobicContact CB-CD1 3.53Å; I416-L449 HydrophobicContact CG2-CD1 3.39Å; I416-V452 HydrophobicContact CD1-CB 4.41Å; I416-V452 HydrophobicContact CD1-CG1 3.7Å; I416-V452 HydrophobicContact CD1-CG2 3.84Å; I416-V452 HydrophobicContact CG1-CG2 4.34Å; I416-W471 HydrophobicContact CD1-CH2 3.77Å; I416-W471 HydrophobicContact CD1-CZ2 3.88Å
417M87.7Confident88.9Confident23 Ų2324.1 Ų24.111%0.11313%0.128CC..EExtended strand (participates in β ladder)trans-123.5143.3170.3-63.3175.3-67.800110V395 I397 T408 C409 T411 P438 K439 I440V395-M417 HydrophobicContact CG1-CE 4.01Å; I397-M417 HydrophobicContact CD1-CE 3.46Å; I397-M417 VanDerWaalsContact CD1-CE 3.46Å; T408-M417 CarbonylContact C-O 3.35Å; T408-M417 WeakPolarHBondContact CA-O 3.48Å; C409-M417 PolarHBondContact N-O 2.81Å; C409-M417 PolarHBondContact O-N 2.85Å; T411-M417 HydrophobicContact CG2-CE 3.72Å; M417-P438 HydrophobicContact CB-CB 4.07Å; M417-P438 HydrophobicContact SD-CB 4.26Å; M417-K439 CarbonylContact C-O 3.56Å; M417-K439 WeakPolarHBondContact CA-O 3.32Å; M417-I440 HydrophobicContact CG-CB 4.45Å; M417-I440 HydrophobicContact CG-CG1 3.69Å; M417-I440 HydrophobicContact SD-CG1 4.24Å
418T90.9Very high88.7Confident0 Ų024.2 Ų24.20%013%0.129CC..EExtended strand (participates in β ladder)trans-131.5146.4-176.555.70000111.4T407 T408 I416 L427 H429 K439 V441T407-T418 VanDerWaalsContact O-CA 3.32Å; T407-T418 WeakPolarHBondContact O-CA 3.39Å; T408-T418 HydrophobicContact CG2-CG2 3.67Å; I416-T418 HydrophobicContact CD1-CG2 4.31Å; I416-T418 HydrophobicContact CG1-CG2 4.26Å; T418-L427 PolarHBondContact OG1-O 3.39Å; T418-H429 PolarHBondContact OG1-CE1 2.95Å; T418-H429 PolarHBondContact OG1-NE2 2.87Å; T418-K439 PolarHBondContact N-O 2.66Å; T418-K439 PolarHBondContact O-N 3.33Å; T418-V441 HydrophobicContact CG2-CG2 3.62Å
419F89.6Confident88.2Confident20 Ų2025.4 Ų25.49%0.08814%0.135CC..EExtended strand (participates in β ladder)trans-158.3163.6176.761.3-79.1000110.6M350 L389 F406 T407 V435 P438M350-F419 HydrophobicContact CE-CZ 3.97Å; M350-F419 HydrophobicContact SD-CZ 4.44Å; L389-F419 HydrophobicContact CD2-CZ 4.16Å; F406-F419 CarbonylContact C-O 3.36Å; F406-F419 WeakPolarHBondContact CA-O 3.34Å; T407-F419 HydrophobicContact CG2-CD1 4.5Å; T407-F419 HydrophobicContact CG2-CE1 3.62Å; T407-F419 HydrophobicContact CG2-CE2 4.46Å; T407-F419 HydrophobicContact CG2-CZ 3.6Å; T407-F419 PolarHBondContact N-O 2.95Å; T407-F419 PolarHBondContact O-N 3.03Å; F419-V435 CarbonylContact C-O 2.85Å; F419-V435 HydrophobicContact CB-CG1 4.27Å; F419-V435 WeakPolarHBondContact CB-O 3.26Å; F419-P438 HydrophobicContact CD1-CB 3.88Å; F419-P438 HydrophobicContact CD1-CG 3.64Å; F419-P438 HydrophobicContact CE1-CB 4.32Å; F419-P438 HydrophobicContact CE1-CG 3.78Å; F419-P438 HydrophobicContact CG-CG 4.21Å; F419-P438 HydrophobicContact CZ-CG 4.45Å
420G90.8Very high87.8Confident20 Ų2027.4 Ų27.421%0.20616%0.156CC..EExtended strand (participates in β ladder)trans109.7-147.2-170.700000111.2D434 V435G420-D434 WeakPolarHBondContact O-CA 3.28Å; G420-V435 PolarHBondContact N-O 3.48Å; G420-V435 PolarHBondContact O-N 2.89Å
421S92.3Very high87.5Confident18 Ų1829.6 Ų29.613%0.12617%0.167CC..  trans-76.2136.4-178.4-173.20000112.9L405 S423 C426 L427 D434L405-S421 PolarHBondContact O-N 2.92Å; S421-S423 VanDerWaalsContact C-N 3.27Å; S421-S423 WeakPolarHBondContact OG-CB 3.14Å; S421-S423 PolarHBondContact OG-N 3.03Å; S421-S423 PolarHBondContact OG-OG 3.5Å; S421-C426 PolarHBondContact O-SG 2.94Å; S421-L427 WeakPolarHBondContact O-CG 3.18Å; S421-D434 WeakPolarHBondContact CA-OD1 3.31Å; S421-D434 WeakPolarHBondContact CB-OD1 3.46Å; S421-D434 PolarHBondContact OG-OD1 3.23Å
422G90.9Very high87.9Confident0 Ų034.4 Ų34.40%019%0.188CC..  trans-82.20.3172.600000114.4N424 G425 F432 N433 D434G422-N424 PolarHBondContact O-N 2.88Å; G422-G425 WeakPolarHBondContact O-CA 3.39Å; G422-G425 PolarHBondContact O-N 3.03Å; G422-F432 CarbonylContact C-O 3.1Å; G422-F432 WeakPolarHBondContact CA-O 3.34Å; G422-F432 CarbonylContact O-C 3.5Å; G422-F432 WeakPolarHBondContact O-CA 3.38Å; G422-N433 WeakPolarHBondContact CA-O 3.36Å; G422-D434 PolarHBondContact N-OD1 3.01Å
423S92.3Very high88.2Confident59 Ų5936.1 Ų36.141%0.41320%0.197SC..G310 helixtrans-52.6136.2-179.9-63.70000111.8S421 G425 C426S421-S423 VanDerWaalsContact C-N 3.27Å; S421-S423 WeakPolarHBondContact OG-CB 3.14Å; S421-S423 PolarHBondContact OG-N 3.03Å; S421-S423 PolarHBondContact OG-OG 3.5Å; S423-G425 PolarHBondContact O-N 2.91Å; S423-G425 VanDerWaalsContact O-N 3.1Å; S423-C426 PolarHBondContact O-SG 3.07Å
424N92.4Very high88.8Confident58 Ų5834.5 Ų34.531%0.3120%0.199SC..G310 helixtrans60.39.8-174.9-43.3-74.7000114.9G422 C426 G472 R473 T486G422-N424 PolarHBondContact O-N 2.88Å; N424-C426 VanDerWaalsContact C-N 3.31Å; N424-C426 PolarHBondContact O-N 3.04Å; N424-G472 CarbonylContact O-C 3.5Å; N424-G472 VanDerWaalsContact O-CA 3.25Å; N424-G472 WeakPolarHBondContact O-CA 3.35Å; N424-R473 HydrophobicContact CB-CB 3.82Å; N424-R473 HydrophobicContact CB-CG 4.12Å; N424-R473 PolarHBondContact O-N 2.95Å; N424-T486 VanDerWaalsContact O-CG2 3.22Å; N424-T486 WeakPolarHBondContact O-CG2 3.38Å
425G92.3Very high89.1Confident0 Ų035.4 Ų35.40%020%0.204CC..G310 helixtrans76.114.6175.500000114.5G422 S423 L427 G428 F432G422-G425 WeakPolarHBondContact O-CA 3.39Å; G422-G425 PolarHBondContact O-N 3.03Å; S423-G425 PolarHBondContact O-N 2.91Å; S423-G425 VanDerWaalsContact O-N 3.1Å; G425-L427 PolarHBondContact O-N 3.35Å; G425-L427 VanDerWaalsContact O-N 3.08Å; G425-G428 PolarHBondContact O-N 3.27Å; G425-F432 VanDerWaalsContact N-CD1 3.34Å
426C94.6Very high89.1Confident4 Ų438.8 Ų38.83%0.02723%0.228CC..THydrogen-bonded Turntrans-64.4-14.1-174.757.50000114.9F406 S421 S423 N424 V459 W471F406-C426 HydrophobicContact CD1-CB 4.03Å; F406-C426 WeakPolarHBondContact CD1-SG 3.36Å; F406-C426 HydrophobicContact CD2-CB 4.32Å; F406-C426 HydrophobicContact CE1-CB 3.68Å; F406-C426 HydrophobicContact CE2-CB 4Å; F406-C426 HydrophobicContact CG-CB 4.33Å; F406-C426 HydrophobicContact CZ-CB 3.68Å; S421-C426 PolarHBondContact O-SG 2.94Å; S423-C426 PolarHBondContact O-SG 3.07Å; N424-C426 VanDerWaalsContact C-N 3.31Å; N424-C426 PolarHBondContact O-N 3.04Å; C426-V459 WeakPolarHBondContact O-CG2 3.45Å; C426-W471 PolarHBondContact O-NE1 2.68Å
427L93.8Very high88.7Confident1 Ų145.4 Ų45.41%0.00526%0.259CS..THydrogen-bonded Turntrans-79.4-17.4173.7-57-178.2000113.4F406 T418 S421 G425 H429 N433 V435F406-L427 HydrophobicContact CB-CD2 3.81Å; F406-L427 HydrophobicContact CD2-CD2 4.1Å; F406-L427 HydrophobicContact CG-CD2 4.29Å; T418-L427 PolarHBondContact OG1-O 3.39Å; S421-L427 WeakPolarHBondContact O-CG 3.18Å; G425-L427 PolarHBondContact O-N 3.35Å; G425-L427 VanDerWaalsContact O-N 3.08Å; L427-H429 VanDerWaalsContact C-N 3.28Å; L427-H429 PolarHBondContact O-N 2.9Å; L427-N433 WeakPolarHBondContact CD1-O 3.39Å; L427-V435 HydrophobicContact CD1-CB 3.84Å; L427-V435 HydrophobicContact CD1-CG2 3.71Å
428G90Very high88.5Confident2 Ų246.5 Ų46.52%0.02127%0.267CS..  trans7312.7173.600000115.7G425 G430 V441 W471 N488 P490G425-G428 PolarHBondContact O-N 3.27Å; G428-G430 VanDerWaalsContact C-N 3.28Å; G428-G430 PolarHBondContact O-N 3.37Å; G428-V441 WeakPolarHBondContact O-CG1 3.39Å; G428-W471 VanDerWaalsContact CA-CD1 3.46Å; G428-N488 CarbonylContact C-O 3.49Å; G428-N488 WeakPolarHBondContact CA-O 3.5Å; G428-P490 WeakPolarHBondContact O-CD 3.41Å
429H85Confident88Confident28 Ų2850.6 Ų50.613%0.1329%0.285CS..SBendtrans-86.215.3-178-58.2-47.6000114.6T418 L427 N431 K439 I440 N488T418-H429 PolarHBondContact OG1-CE1 2.95Å; T418-H429 PolarHBondContact OG1-NE2 2.87Å; L427-H429 VanDerWaalsContact C-N 3.28Å; L427-H429 PolarHBondContact O-N 2.9Å; H429-N431 PolarHBondContact O-N 2.93Å; H429-N431 PolarHBondContact O-ND2 2.84Å; H429-K439 PolarHBondContact CE1-O 3.41Å; H429-I440 PolarHBondContact CE1-O 2.99Å; H429-I440 PolarHBondContact ND1-O 3.3Å; H429-N488 PolarHBondContact N-O 3.08Å
430G85.1Confident87.5Confident43 Ų4352.4 Ų52.444%0.44330%0.295SS..SBendtrans71.714.1-17800000114.2G428 N488G428-G430 VanDerWaalsContact C-N 3.28Å; G428-G430 PolarHBondContact O-N 3.37Å; G430-N488 WeakPolarHBondContact CA-O 3.35Å; G430-N488 PolarHBondContact N-O 2.85Å; G430-N488 PolarHBondContact O-ND2 3.36Å
431N85.9Confident87Confident49 Ų4951.5 Ų51.526%0.26229%0.286SS..SBendtrans-151.7179177.964.574.6000110.2H429 N433H429-N431 PolarHBondContact O-N 2.93Å; H429-N431 PolarHBondContact O-ND2 2.84Å; N431-N433 VanDerWaalsContact OD1-CB 3.31Å; N431-N433 WeakPolarHBondContact OD1-CB 3.48Å; N431-N433 PolarHBondContact OD1-N 3Å; N431-N433 PolarHBondContact OD1-ND2 3.33Å
432F91.8Very high86.1Confident107 Ų10755.5 Ų55.547%0.46930%0.302SS..  trans-110.616.2-175.9-60.4-87.5000113.2G422 G425 T486 N488G422-F432 CarbonylContact C-O 3.1Å; G422-F432 WeakPolarHBondContact CA-O 3.34Å; G422-F432 CarbonylContact O-C 3.5Å; G422-F432 WeakPolarHBondContact O-CA 3.38Å; G425-F432 VanDerWaalsContact N-CD1 3.34Å; F432-T486 HydrophobicContact CE1-CG2 4.28Å; F432-N488 HydrophobicContact CD1-CB 4.44Å; F432-N488 HydrophobicContact CE1-CB 3.97Å; F432-N488 HydrophobicContact CE2-CB 4.19Å; F432-N488 VanDerWaalsContact CE2-ND2 3.25Å; F432-N488 WeakPolarHBondContact CE2-ND2 3.3Å; F432-N488 HydrophobicContact CZ-CB 3.83Å
433N87.4Confident85.1Confident109 Ų10958.2 Ų58.258%0.58333%0.325SS*.  trans-81142.9-174-61.1-34.9000111.4G422 L427 N431G422-N433 WeakPolarHBondContact CA-O 3.36Å; L427-N433 WeakPolarHBondContact CD1-O 3.39Å; N431-N433 VanDerWaalsContact OD1-CB 3.31Å; N431-N433 WeakPolarHBondContact OD1-CB 3.48Å; N431-N433 PolarHBondContact OD1-N 3Å; N431-N433 PolarHBondContact OD1-ND2 3.33Å
434D86.8Confident84.1Confident110 Ų11055.8 Ų55.859%0.58831%0.307SS*.  trans-66.4146.9171.5-64.8-13000111.1G420 S421 G422G420-D434 WeakPolarHBondContact O-CA 3.28Å; S421-D434 WeakPolarHBondContact CA-OD1 3.31Å; S421-D434 WeakPolarHBondContact CB-OD1 3.46Å; S421-D434 PolarHBondContact OG-OD1 3.23Å; G422-D434 PolarHBondContact N-OD1 3.01Å
435V82Confident82.9Confident25 Ų2555.3 Ų55.315%0.15231%0.305CS..EExtended strand (participates in β ladder)trans-131.5118.3-178173.50000108.6F419 G420 L427 Q437 K439F419-V435 CarbonylContact C-O 2.85Å; F419-V435 HydrophobicContact CB-CG1 4.27Å; F419-V435 WeakPolarHBondContact CB-O 3.26Å; G420-V435 PolarHBondContact N-O 3.48Å; G420-V435 PolarHBondContact O-N 2.89Å; L427-V435 HydrophobicContact CD1-CB 3.84Å; L427-V435 HydrophobicContact CD1-CG2 3.71Å; V435-Q437 WeakPolarHBondContact CG1-O 3.27Å; V435-K439 HydrophobicContact CG1-CB 3.82Å
436T82.4Confident81.4Confident135 Ų13558.5 Ų58.583%0.82834%0.338SS*.EExtended strand (participates in β ladder)trans-85.7-18.5-17353.30000114.3
437Q79.8Confident80.3Confident143 Ų14362.3 Ų62.367%0.66835%0.352SS*.EExtended strand (participates in β ladder)trans-127148.3-180-67.5-172-8.800110.9V435 K439V435-Q437 WeakPolarHBondContact CG1-O 3.27Å; Q437-K439 PolarHBondContact O-N 3.34Å
438P82.4Confident79.8Confident46 Ų4665.8 Ų65.830%0.29937%0.368SS..EExtended strand (participates in β ladder)trans-48.6118179.2-2531.3000112.5L389 M417 F419L389-P438 HydrophobicContact CD2-CG 3.59Å; M417-P438 HydrophobicContact CB-CB 4.07Å; M417-P438 HydrophobicContact SD-CB 4.26Å; F419-P438 HydrophobicContact CD1-CB 3.88Å; F419-P438 HydrophobicContact CD1-CG 3.64Å; F419-P438 HydrophobicContact CE1-CB 4.32Å; F419-P438 HydrophobicContact CE1-CG 3.78Å; F419-P438 HydrophobicContact CG-CG 4.21Å; F419-P438 HydrophobicContact CZ-CG 4.45Å
439K79.6Confident79.6Confident86 Ų8665.9 Ų65.937%0.37437%0.368SS..EExtended strand (participates in β ladder)trans-117.4136.8177.2-178.5179.5177.1-178.20109.7M417 T418 H429 V435 Q437M417-K439 CarbonylContact C-O 3.56Å; M417-K439 WeakPolarHBondContact CA-O 3.32Å; T418-K439 PolarHBondContact N-O 2.66Å; T418-K439 PolarHBondContact O-N 3.33Å; H429-K439 PolarHBondContact CE1-O 3.41Å; V435-K439 HydrophobicContact CG1-CB 3.82Å; Q437-K439 PolarHBondContact O-N 3.34Å
440I79.6Confident80.1Confident57 Ų5767.1 Ų67.129%0.29238%0.378SS..EExtended strand (participates in β ladder)trans-64.9138.5178.1-64.1170.1000110.4I415 M417 H429 E442 L445I415-I440 HydrophobicContact CG2-CD1 4.5Å; I415-I440 HydrophobicContact CG2-CG1 4.24Å; I415-I440 HydrophobicContact CG2-CG2 4.01Å; M417-I440 HydrophobicContact CG-CB 4.45Å; M417-I440 HydrophobicContact CG-CG1 3.69Å; M417-I440 HydrophobicContact SD-CG1 4.24Å; H429-I440 PolarHBondContact CE1-O 2.99Å; H429-I440 PolarHBondContact ND1-O 3.3Å; I440-E442 PolarHBondContact O-N 2.75Å; I440-L445 HydrophobicContact CG2-CD1 4.41Å; I440-L445 HydrophobicContact CG2-CD2 3.83Å; I440-L445 HydrophobicContact CG2-CG 4.17Å
441V80.6Confident80.7Confident2 Ų267.8 Ų67.81%0.01237%0.369CS..  trans-81.692.8170.7-172.40000108.9I416 T418 G428 A443 L444 P490I416-V441 HydrophobicContact CG1-CG2 4.46Å; I416-V441 HydrophobicContact CG2-CB 3.8Å; I416-V441 HydrophobicContact CG2-CG2 3.85Å; I416-V441 PolarHBondContact O-N 3.07Å; I416-V441 VanDerWaalsContact O-N 3.12Å; T418-V441 HydrophobicContact CG2-CG2 3.62Å; G428-V441 WeakPolarHBondContact O-CG1 3.39Å; V441-A443 PolarHBondContact O-N 3.21Å; V441-A443 VanDerWaalsContact O-N 3.16Å; V441-L444 HydrophobicContact CG1-CD1 4.27Å; V441-L444 HydrophobicContact CG1-CG 4.5Å; V441-L444 PolarHBondContact O-N 3.11Å; V441-L444 VanDerWaalsContact O-N 3.12Å; V441-P490 HydrophobicContact CG1-CG 3.6Å
442E72.6Confident81.2Confident101 Ų10166 Ų6647%0.47236%0.36SS..G310 helixtrans-57.1-32.5-172.4-66.6174.2-172.700113.9L213 I440 L444 L445L213-E442 HydrophobicContact CD2-CB 4.3Å; L213-E442 HydrophobicContact CD2-CG 3.93Å; I440-E442 PolarHBondContact O-N 2.75Å; E442-L444 PolarHBondContact O-N 3.34Å; E442-L445 HydrophobicContact CB-CD1 4.22Å; E442-L445 HydrophobicContact CG-CD1 4.33Å; E442-L445 VanDerWaalsContact O-CB 3.22Å; E442-L445 WeakPolarHBondContact O-CB 3.26Å; E442-L445 WeakPolarHBondContact O-CG 3.42Å; E442-L445 PolarHBondContact O-N 3.47Å; E442-L445 VanDerWaalsContact O-N 3.12Å
443A71.4Confident81.5Confident58 Ų5861.8 Ų61.848%0.47934%0.344SS..G310 helixtrans-65.6-20.7-178.900000114V441 P490V441-A443 PolarHBondContact O-N 3.21Å; V441-A443 VanDerWaalsContact O-N 3.16Å; A443-P490 HydrophobicContact CB-CG 4.11Å
444L70.4Confident82Confident7 Ų757.1 Ų57.14%0.03732%0.319CS..G310 helixtrans-100.46.6178-69.1168.7000112.6I416 V441 E442 G446 Y447 L449 F469 W471 P490I416-L444 HydrophobicContact CG2-CB 4.44Å; I416-L444 HydrophobicContact CG2-CD1 3.94Å; V441-L444 HydrophobicContact CG1-CD1 4.27Å; V441-L444 HydrophobicContact CG1-CG 4.5Å; V441-L444 PolarHBondContact O-N 3.11Å; V441-L444 VanDerWaalsContact O-N 3.12Å; E442-L444 PolarHBondContact O-N 3.34Å; L444-G446 PolarHBondContact O-N 2.78Å; L444-Y447 HydrophobicContact CD2-CD2 4.34Å; L444-Y447 PolarHBondContact O-N 3.28Å; L444-L449 HydrophobicContact CD1-CD1 4.22Å; L444-F469 HydrophobicContact CD2-CB 4.03Å; L444-F469 HydrophobicContact CD2-CD1 3.71Å; L444-F469 HydrophobicContact CD2-CD2 3.81Å; L444-F469 HydrophobicContact CD2-CE1 4.09Å; L444-F469 HydrophobicContact CD2-CE2 4.19Å; L444-F469 HydrophobicContact CD2-CG 3.56Å; L444-F469 HydrophobicContact CD2-CZ 4.33Å; L444-W471 HydrophobicContact CD1-CH2 3.67Å; L444-W471 HydrophobicContact CD1-CZ3 3.73Å; L444-P490 HydrophobicContact CD1-CB 3.9Å; L444-P490 HydrophobicContact CD1-CG 3.62Å; L444-P490 HydrophobicContact CD2-CB 3.76Å; L444-P490 HydrophobicContact CD2-CG 4.29Å; L444-P490 HydrophobicContact CG-CB 3.71Å; L444-P490 HydrophobicContact CG-CG 3.65Å
445L68.2Low82.4Confident49 Ų4952.1 Ų52.126%0.25729%0.294SS..THydrogen-bonded Turntrans-67.1122.4175.6-76.5176.7000111P209 L213 I440 E442P209-L445 HydrophobicContact CB-CB 3.65Å; P209-L445 HydrophobicContact CB-CD1 4.18Å; P209-L445 HydrophobicContact CB-CD2 4.38Å; P209-L445 HydrophobicContact CB-CG 4.29Å; P209-L445 HydrophobicContact CG-CB 4.32Å; L213-L445 HydrophobicContact CD2-CD1 4.46Å; L213-L445 HydrophobicContact CG-CD1 4.49Å; I440-L445 HydrophobicContact CG2-CD1 4.41Å; I440-L445 HydrophobicContact CG2-CD2 3.83Å; I440-L445 HydrophobicContact CG2-CG 4.17Å; E442-L445 HydrophobicContact CB-CD1 4.22Å; E442-L445 HydrophobicContact CG-CD1 4.33Å; E442-L445 VanDerWaalsContact O-CB 3.22Å; E442-L445 WeakPolarHBondContact O-CB 3.26Å; E442-L445 WeakPolarHBondContact O-CG 3.42Å; E442-L445 PolarHBondContact O-N 3.47Å; E442-L445 VanDerWaalsContact O-N 3.12Å
446G60.6Low82.9Confident67 Ų6751.3 Ų51.369%0.69129%0.29SS*.THydrogen-bonded Turntrans113.5-20.3-173.800000112.8L444L444-G446 PolarHBondContact O-N 2.78Å
447Y71.7Confident83.6Confident84 Ų8445.9 Ų45.933%0.32926%0.257SS..  trans-94.9137.8170.9-59.7-82.6000110.3L444 T463 E467 F469L444-Y447 HydrophobicContact CD2-CD2 4.34Å; L444-Y447 PolarHBondContact O-N 3.28Å; Y447-T463 HydrophobicContact CD1-CG2 3.92Å; Y447-T463 HydrophobicContact CG-CG2 4.14Å; Y447-E467 WeakPolarHBondContact CD1-OE2 3.45Å; Y447-E467 WeakPolarHBondContact CE1-OE2 3.29Å; Y447-F469 HydrophobicContact CD1-CE2 4.06Å; Y447-F469 HydrophobicContact CD1-CZ 4.19Å; Y447-F469 HydrophobicContact CD2-CE2 4.49Å; Y447-F469 HydrophobicContact CD2-CZ 4.27Å; Y447-F469 HydrophobicContact CE1-CE2 4.09Å; Y447-F469 AromaticContact CE1-CZ 3.79Å; Y447-F469 HydrophobicContact CE1-CZ 3.79Å; Y447-F469 HydrophobicContact CE2-CE1 4.49Å; Y447-F469 AromaticContact CE2-CZ 3.88Å; Y447-F469 HydrophobicContact CE2-CZ 3.88Å; Y447-F469 HydrophobicContact CG-CE2 4.26Å; Y447-F469 HydrophobicContact CG-CZ 4.41Å; Y447-F469 AromaticContact CZ-CZ 3.62Å
448E83.1Confident84.5Confident74 Ų7439 Ų3935%0.34623%0.225SC..  trans-94.3104.9171.6179.7-179.5-169.700108.8T463 N464E448-T463 CarbonylContact O-C 3.57Å; E448-T463 WeakPolarHBondContact O-CA 3.13Å; E448-N464 HydrophobicContact CB-CB 4.41Å; E448-N464 HydrophobicContact CG-CB 4.48Å; E448-N464 PolarHBondContact O-N 3.09Å; E448-N464 PolarHBondContact O-OD1 2.93Å; E448-N464 PolarHBondContact OE2-ND2 3.33Å
449L86Confident85.2Confident4 Ų436.9 Ų36.92%0.02121%0.211CC..EExtended strand (participates in β ladder)trans-76.6135.5-179.6-61170.1000111.2M410 G414 I416 L444 V452 A461 T463M410-L449 HydrophobicContact SD-CB 3.93Å; G414-L449 WeakPolarHBondContact CA-O 3.41Å; G414-L449 WeakPolarHBondContact O-CB 3.43Å; G414-L449 PolarHBondContact O-N 2.85Å; I416-L449 HydrophobicContact CB-CD1 3.53Å; I416-L449 HydrophobicContact CG2-CD1 3.39Å; L444-L449 HydrophobicContact CD1-CD1 4.22Å; L449-V452 HydrophobicContact CD1-CG2 4.33Å; L449-A461 HydrophobicContact CD2-CB 3.96Å; L449-T463 HydrophobicContact CD2-CG2 3.95Å
450V94.8Very high86.1Confident54 Ų5432.8 Ų32.833%0.32719%0.193SC..EExtended strand (participates in β ladder)trans-104.2-28.6177.4-62.80000112.6M410 V462 T463 N464M410-V450 WeakPolarHBondContact CE-O 3.3Å; V450-V462 HydrophobicContact CG2-CG1 3.89Å; V450-V462 HydrophobicContact CG2-CG2 4.44Å; V450-V462 WeakPolarHBondContact CG2-O 3.4Å; V450-V462 PolarHBondContact N-O 3.24Å; V450-T463 WeakPolarHBondContact CG2-O 3.34Å; V450-N464 HydrophobicContact CG1-CB 3.75Å
451Q97Very high87Confident56 Ų5630 Ų3026%0.26218%0.18SC..EExtended strand (participates in β ladder)trans-152.4145.8175.8-177.2178.5-10.300111.2A461 V462 K503 V504Q451-A461 WeakPolarHBondContact O-CA 3.5Å; Q451-V462 HydrophobicContact CB-CG1 3.75Å; Q451-V462 PolarHBondContact N-O 2.82Å; Q451-V462 PolarHBondContact O-N 2.85Å; Q451-K503 VanDerWaalsContact OE1-CA 3.24Å; Q451-V504 HydrophobicContact CB-CG2 4.45Å; Q451-V504 HydrophobicContact CG-CG2 4.03Å; Q451-V504 PolarHBondContact NE2-O 3.02Å
452V97.8Very high87.8Confident13 Ų1330 Ų308%0.07918%0.179CC..EExtended strand (participates in β ladder)trans-132.2138.3174.5-177.40000108T408 M410 I416 L449 V459 A461T408-V452 HydrophobicContact CG2-CG1 4.41Å; M410-V452 HydrophobicContact SD-CG2 4.03Å; I416-V452 HydrophobicContact CD1-CB 4.41Å; I416-V452 HydrophobicContact CD1-CG1 3.7Å; I416-V452 HydrophobicContact CD1-CG2 3.84Å; I416-V452 HydrophobicContact CG1-CG2 4.34Å; L449-V452 HydrophobicContact CD1-CG2 4.33Å; V452-V459 HydrophobicContact CG1-CG1 3.58Å; V452-A461 HydrophobicContact CG1-CB 4.48Å; V452-A461 HydrophobicContact CG2-CB 4.03Å
453S97.9Very high88.8Confident17 Ų1725.1 Ų25.112%0.11916%0.156CC..EExtended strand (participates in β ladder)trans-130.5131172.7-173.40000110.5V459 V460 V504 C506S453-V459 WeakPolarHBondContact O-CA 3.5Å; S453-V460 PolarHBondContact N-O 3Å; S453-V460 PolarHBondContact O-N 3.28Å; S453-V504 WeakPolarHBondContact CB-O 3.48Å; S453-C506 PolarHBondContact O-SG 2.97Å; S453-C506 PolarHBondContact OG-N 3.37Å
454C97.2Very high89.7Confident11 Ų1125.5 Ų25.57%0.07415%0.15CC..EExtended strand (participates in β ladder)trans-97.7130.7173.8-64.50000110.5S401 F406 T408 C506S401-C454 PolarHBondContact O-SG 2.9Å; S401-C454 VanDerWaalsContact O-SG 3.34Å; S401-C454 WeakPolarHBondContact OG-CB 3.31Å; S401-C454 PolarHBondContact OG-N 3.06Å; F406-C454 HydrophobicContact CE2-CB 4.44Å; F406-C454 HydrophobicContact CZ-CB 4.1Å; T408-C454 WeakPolarHBondContact CG2-SG 3.25Å; T408-C454 PolarHBondContact OG1-SG 2.96Å; C454-C506 VanDerWaalsContact C-CB 3.41Å
455G95.3Very high90.5Very high5 Ų532 Ų325%0.05218%0.18CC..  trans-87.2-166.8160.900000110.7G403 S457 H458 C506 G507G403-G455 WeakPolarHBondContact CA-O 3.28Å; G455-S457 VanDerWaalsContact C-N 3.27Å; G455-S457 PolarHBondContact O-N 2.96Å; G455-H458 PolarHBondContact N-O 3.01Å; G455-C506 VanDerWaalsContact CA-CB 3.47Å; G455-G507 WeakPolarHBondContact CA-O 3.3Å
456A93.7Very high91.7Very high9 Ų934 Ų347%0.07419%0.185CC..SBendtrans-59.3-37.7177.500000112.7D404 G507 V508D404-A456 WeakPolarHBondContact CB-O 3.14Å; D404-A456 PolarHBondContact N-O 2.95Å; D404-A456 VanDerWaalsContact N-O 3.15Å; A456-G507 PolarHBondContact N-O 2.97Å; A456-V508 HydrophobicContact CB-CB 4.39Å; A456-V508 HydrophobicContact CB-CG1 4.03Å
457S96Very high93.2Very high20 Ų2032.7 Ų32.714%0.1416%0.161CC..SBendtrans-15022.6-175.5-57.90000113.8G455 R473G455-S457 VanDerWaalsContact C-N 3.27Å; G455-S457 PolarHBondContact O-N 2.96Å; S457-R473 WeakPolarHBondContact O-CB 3.46Å; S457-R473 PolarHBondContact O-N 3.01Å
458H98.1Very high94.4Very high0 Ų028.8 Ų28.80%015%0.146CC..EExtended strand (participates in β ladder)trans-146.9166.3177.572-74.8000110.6G455 W471 L479 G507 S511G455-H458 PolarHBondContact N-O 3.01Å; H458-W471 CarbonylContact C-O 3.52Å; H458-W471 VanDerWaalsContact CA-O 3.3Å; H458-W471 WeakPolarHBondContact CA-O 3.16Å; H458-W471 WeakPolarHBondContact CB-O 3.41Å; H458-L479 HydrophobicContact CB-CD2 3.77Å; H458-G507 PolarHBondContact CE1-O 3.44Å; H458-S511 PolarHBondContact NE2-OG 3.38Å
459V98.6Very high95.2Very high0 Ų025.8 Ų25.80%013%0.131CC..EExtended strand (participates in β ladder)trans-133.2139.4-178.8-172.90000108.8F406 T408 C426 V452 S453 A470 W471F406-V459 HydrophobicContact CE2-CG2 3.47Å; F406-V459 VanDerWaalsContact CE2-CG2 3.47Å; F406-V459 HydrophobicContact CZ-CG2 3.68Å; T408-V459 HydrophobicContact CG2-CG1 4.28Å; T408-V459 HydrophobicContact CG2-CG2 4.03Å; C426-V459 WeakPolarHBondContact O-CG2 3.45Å; V452-V459 HydrophobicContact CG1-CG1 3.58Å; S453-V459 WeakPolarHBondContact O-CA 3.5Å; V459-A470 VanDerWaalsContact O-CA 3.28Å; V459-A470 WeakPolarHBondContact O-CA 3.47Å; V459-W471 HydrophobicContact CB-CD2 4.01Å; V459-W471 HydrophobicContact CB-CE3 4.37Å; V459-W471 HydrophobicContact CB-CH2 3.96Å; V459-W471 HydrophobicContact CB-CZ2 3.55Å; V459-W471 HydrophobicContact CB-CZ3 4.34Å; V459-W471 HydrophobicContact CG1-CH2 3.46Å; V459-W471 VanDerWaalsContact CG1-CH2 3.46Å; V459-W471 HydrophobicContact CG1-CZ2 3.39Å; V459-W471 HydrophobicContact CG1-CZ3 4.09Å; V459-W471 HydrophobicContact CG2-CZ2 4.01Å; V459-W471 PolarHBondContact N-O 2.93Å; V459-W471 PolarHBondContact O-N 2.83Å
460V98.6Very high95.8Very high0 Ų025.6 Ų25.60%013%0.13CC..EExtended strand (participates in β ladder)trans-124.1135.1167.1-176.70000107.9S453 V468 F469 A470 V504 C506S453-V460 PolarHBondContact N-O 3Å; S453-V460 PolarHBondContact O-N 3.28Å; V460-V468 HydrophobicContact CG1-CG1 3.65Å; V460-F469 CarbonylContact C-O 3.53Å; V460-F469 VanDerWaalsContact CA-O 3.31Å; V460-F469 WeakPolarHBondContact CA-O 3.43Å; V460-A470 HydrophobicContact CG2-CB 4.1Å; V460-V504 HydrophobicContact CB-CB 4.38Å; V460-V504 HydrophobicContact CG1-CB 3.88Å; V460-V504 HydrophobicContact CG1-CG1 3.82Å; V460-V504 HydrophobicContact CG1-CG2 4.46Å; V460-C506 VanDerWaalsContact CB-SG 3.59Å; V460-C506 WeakPolarHBondContact CG2-SG 3.17Å
461A98.1Very high95.9Very high0 Ų023 Ų230%012%0.115CC..EExtended strand (participates in β ladder)trans-133.7150.5-179.500000110.4L449 Q451 V452 V468 F469 W471L449-A461 HydrophobicContact CD2-CB 3.96Å; Q451-A461 WeakPolarHBondContact O-CA 3.5Å; V452-A461 HydrophobicContact CG1-CB 4.48Å; V452-A461 HydrophobicContact CG2-CB 4.03Å; A461-V468 WeakPolarHBondContact O-CA 3.44Å; A461-F469 PolarHBondContact N-O 2.89Å; A461-F469 PolarHBondContact O-N 2.89Å; A461-W471 HydrophobicContact CB-CH2 4.11Å; A461-W471 HydrophobicContact CB-CZ3 4.04Å
462V97.6Very high96Very high0 Ų020.4 Ų20.40%010%0.102CC..EExtended strand (participates in β ladder)trans-127138.6177.256.50000110.7V450 Q451 E467 V468 A501 V504V450-V462 HydrophobicContact CG2-CG1 3.89Å; V450-V462 HydrophobicContact CG2-CG2 4.44Å; V450-V462 WeakPolarHBondContact CG2-O 3.4Å; V450-V462 PolarHBondContact N-O 3.24Å; Q451-V462 HydrophobicContact CB-CG1 3.75Å; Q451-V462 PolarHBondContact N-O 2.82Å; Q451-V462 PolarHBondContact O-N 2.85Å; V462-E467 CarbonylContact C-O 3.55Å; V462-E467 VanDerWaalsContact CA-O 3.28Å; V462-E467 WeakPolarHBondContact CA-O 3.41Å; V462-V468 HydrophobicContact CG2-CG2 4.45Å; V462-A501 HydrophobicContact CB-CB 4.49Å; V462-A501 HydrophobicContact CG2-CB 3.72Å; V462-V504 HydrophobicContact CB-CG1 3.84Å; V462-V504 HydrophobicContact CG1-CG1 3.87Å; V462-V504 HydrophobicContact CG1-CG2 4.09Å
463T93.1Very high96Very high0 Ų024.3 Ų24.30%012%0.116CC..EExtended strand (participates in β ladder)trans-89166.7179.772.90000112Y447 E448 L449 V450 E465 R466 E467 F469Y447-T463 HydrophobicContact CD1-CG2 3.92Å; Y447-T463 HydrophobicContact CG-CG2 4.14Å; E448-T463 CarbonylContact O-C 3.57Å; E448-T463 WeakPolarHBondContact O-CA 3.13Å; L449-T463 HydrophobicContact CD2-CG2 3.95Å; V450-T463 WeakPolarHBondContact CG2-O 3.34Å; T463-E465 PolarHBondContact O-N 3.01Å; T463-E465 PolarHBondContact OG1-N 3.01Å; T463-R466 PolarHBondContact O-N 2.8Å; T463-R466 VanDerWaalsContact O-N 3.1Å; T463-R466 PolarHBondContact OG1-N 2.94Å; T463-E467 HydrophobicContact CG2-CB 4.07Å; T463-E467 PolarHBondContact N-O 3.15Å; T463-E467 WeakPolarHBondContact OG1-CB 3.07Å; T463-E467 PolarHBondContact OG1-N 3.34Å; T463-E467 PolarHBondContact OG1-OE2 2.83Å; T463-F469 HydrophobicContact CG2-CD2 4.03Å; T463-F469 HydrophobicContact CG2-CE2 3.73Å
464N90.3Very high95.9Very high66 Ų6623.5 Ų23.535%0.35311%0.11SC..THydrogen-bonded Turntrans-61.1-27.4169.764.9-21.1000112.6E448 V450 R466E448-N464 HydrophobicContact CB-CB 4.41Å; E448-N464 HydrophobicContact CG-CB 4.48Å; E448-N464 PolarHBondContact O-N 3.09Å; E448-N464 PolarHBondContact O-OD1 2.93Å; E448-N464 PolarHBondContact OE2-ND2 3.33Å; V450-N464 HydrophobicContact CG1-CB 3.75Å; N464-R466 VanDerWaalsContact C-N 3.25Å; N464-R466 PolarHBondContact O-N 3.04Å
465E87.5Confident95.9Very high142 Ų14224.8 Ų24.866%0.66412%0.116SC*.THydrogen-bonded Turntrans-85.612.6174.2-66.9-177.3-16700113.3T463 E467T463-E465 PolarHBondContact O-N 3.01Å; T463-E465 PolarHBondContact OG1-N 3.01Å; E465-E467 HydrophobicContact CB-CG 4.46Å; E465-E467 PolarHBondContact O-N 2.9Å
466R92.1Very high95.9Very high92 Ų9226.5 Ų26.535%0.34712%0.124SC..  trans68.112.2175.5-46.8-65.8177.5-168.4-0.3115T463 N464 E500 A501T463-R466 PolarHBondContact O-N 2.8Å; T463-R466 VanDerWaalsContact O-N 3.1Å; T463-R466 PolarHBondContact OG1-N 2.94Å; N464-R466 VanDerWaalsContact C-N 3.25Å; N464-R466 PolarHBondContact O-N 3.04Å; R466-E500 HydrophobicContact CB-CB 3.94Å; R466-E500 HydrophobicContact CB-CG 4.26Å; R466-E500 HydrophobicContact CG-CB 4.05Å; R466-E500 HydrophobicContact CG-CG 4.37Å; R466-A501 WeakPolarHBondContact CD-O 3.44Å
467E92.9Very high96Very high40 Ų4026 Ų2619%0.18712%0.121CC..  trans-77.4141.5174.8-56.1167.7104.800110.2Y447 V462 T463 E465 F469 Q492Y447-E467 WeakPolarHBondContact CD1-OE2 3.45Å; Y447-E467 WeakPolarHBondContact CE1-OE2 3.29Å; V462-E467 CarbonylContact C-O 3.55Å; V462-E467 VanDerWaalsContact CA-O 3.28Å; V462-E467 WeakPolarHBondContact CA-O 3.41Å; T463-E467 HydrophobicContact CG2-CB 4.07Å; T463-E467 PolarHBondContact N-O 3.15Å; T463-E467 WeakPolarHBondContact OG1-CB 3.07Å; T463-E467 PolarHBondContact OG1-N 3.34Å; T463-E467 PolarHBondContact OG1-OE2 2.83Å; E465-E467 HydrophobicContact CB-CG 4.46Å; E465-E467 PolarHBondContact O-N 2.9Å; E467-F469 HydrophobicContact CB-CE2 3.94Å; E467-Q492 PolarHBondContact OE1-NE2 2.81Å
468V97.6Very high96Very high2 Ų225.5 Ų25.51%0.01212%0.116CC..EExtended strand (participates in β ladder)trans-110133.7179.2-179.70000109.7V460 A461 V462 V493 L495 A501V460-V468 HydrophobicContact CG1-CG1 3.65Å; A461-V468 WeakPolarHBondContact O-CA 3.44Å; V462-V468 HydrophobicContact CG2-CG2 4.45Å; V468-V493 HydrophobicContact CB-CB 4.12Å; V468-V493 HydrophobicContact CG1-CB 4.03Å; V468-V493 HydrophobicContact CG1-CG1 4.49Å; V468-V493 HydrophobicContact CG1-CG2 4.2Å; V468-V493 PolarHBondContact O-N 2.81Å; V468-L495 HydrophobicContact CG2-CD1 3.85Å; V468-L495 HydrophobicContact CG2-CG 4.38Å; V468-A501 HydrophobicContact CG2-CB 3.33Å
469F98.2Very high96Very high11 Ų1125.6 Ų25.65%0.04812%0.116CC..EExtended strand (participates in β ladder)trans-120.4140.6173.3-68.2-92000110.2L444 Y447 V460 A461 T463 E467 W471 P490 Q491 Q492L444-F469 HydrophobicContact CD2-CB 4.03Å; L444-F469 HydrophobicContact CD2-CD1 3.71Å; L444-F469 HydrophobicContact CD2-CD2 3.81Å; L444-F469 HydrophobicContact CD2-CE1 4.09Å; L444-F469 HydrophobicContact CD2-CE2 4.19Å; L444-F469 HydrophobicContact CD2-CG 3.56Å; L444-F469 HydrophobicContact CD2-CZ 4.33Å; Y447-F469 HydrophobicContact CD1-CE2 4.06Å; Y447-F469 HydrophobicContact CD1-CZ 4.19Å; Y447-F469 HydrophobicContact CD2-CE2 4.49Å; Y447-F469 HydrophobicContact CD2-CZ 4.27Å; Y447-F469 HydrophobicContact CE1-CE2 4.09Å; Y447-F469 AromaticContact CE1-CZ 3.79Å; Y447-F469 HydrophobicContact CE1-CZ 3.79Å; Y447-F469 HydrophobicContact CE2-CE1 4.49Å; Y447-F469 AromaticContact CE2-CZ 3.88Å; Y447-F469 HydrophobicContact CE2-CZ 3.88Å; Y447-F469 HydrophobicContact CG-CE2 4.26Å; Y447-F469 HydrophobicContact CG-CZ 4.41Å; Y447-F469 AromaticContact CZ-CZ 3.62Å; V460-F469 CarbonylContact C-O 3.53Å; V460-F469 VanDerWaalsContact CA-O 3.31Å; V460-F469 WeakPolarHBondContact CA-O 3.43Å; A461-F469 PolarHBondContact N-O 2.89Å; A461-F469 PolarHBondContact O-N 2.89Å; T463-F469 HydrophobicContact CG2-CD2 4.03Å; T463-F469 HydrophobicContact CG2-CE2 3.73Å; E467-F469 HydrophobicContact CB-CE2 3.94Å; F469-W471 HydrophobicContact CB-CZ3 4.25Å; F469-P490 HydrophobicContact CB-CB 4.45Å; F469-P490 HydrophobicContact CD1-CB 4.35Å; F469-Q491 CarbonylContact C-O 3.55Å; F469-Q491 VanDerWaalsContact CA-O 3.23Å; F469-Q491 WeakPolarHBondContact CA-O 3.27Å; F469-Q492 HydrophobicContact CD1-CB 4.12Å; F469-Q492 HydrophobicContact CE1-CB 3.74Å; F469-Q492 HydrophobicContact CE1-CG 4.16Å; F469-Q492 HydrophobicContact CZ-CB 4.34Å; F469-Q492 HydrophobicContact CZ-CG 4.27Å
470A98.4Very high96Very high0 Ų025.8 Ų25.80%012%0.118CC..EExtended strand (participates in β ladder)trans-135.2143.917600000111.5V459 V460 L479 Q491 V493V459-A470 VanDerWaalsContact O-CA 3.28Å; V459-A470 WeakPolarHBondContact O-CA 3.47Å; V460-A470 HydrophobicContact CG2-CB 4.1Å; A470-L479 HydrophobicContact CB-CB 4.06Å; A470-L479 HydrophobicContact CB-CD2 4.16Å; A470-L479 WeakPolarHBondContact CB-O 3.48Å; A470-Q491 PolarHBondContact N-O 2.87Å; A470-Q491 PolarHBondContact O-N 3.48Å; A470-V493 HydrophobicContact CB-CG2 3.62Å
471W98.4Very high95.8Very high0 Ų027.9 Ų27.90%013%0.129CC..EExtended strand (participates in β ladder)trans-158.4170.5173.565.795.6000111.8I416 C426 G428 L444 H458 V459 A461 F469 S489 P490I416-W471 HydrophobicContact CD1-CH2 3.77Å; I416-W471 HydrophobicContact CD1-CZ2 3.88Å; C426-W471 PolarHBondContact O-NE1 2.68Å; G428-W471 VanDerWaalsContact CA-CD1 3.46Å; L444-W471 HydrophobicContact CD1-CH2 3.67Å; L444-W471 HydrophobicContact CD1-CZ3 3.73Å; H458-W471 CarbonylContact C-O 3.52Å; H458-W471 VanDerWaalsContact CA-O 3.3Å; H458-W471 WeakPolarHBondContact CA-O 3.16Å; H458-W471 WeakPolarHBondContact CB-O 3.41Å; V459-W471 HydrophobicContact CB-CD2 4.01Å; V459-W471 HydrophobicContact CB-CE3 4.37Å; V459-W471 HydrophobicContact CB-CH2 3.96Å; V459-W471 HydrophobicContact CB-CZ2 3.55Å; V459-W471 HydrophobicContact CB-CZ3 4.34Å; V459-W471 HydrophobicContact CG1-CH2 3.46Å; V459-W471 VanDerWaalsContact CG1-CH2 3.46Å; V459-W471 HydrophobicContact CG1-CZ2 3.39Å; V459-W471 HydrophobicContact CG1-CZ3 4.09Å; V459-W471 HydrophobicContact CG2-CZ2 4.01Å; V459-W471 PolarHBondContact N-O 2.93Å; V459-W471 PolarHBondContact O-N 2.83Å; A461-W471 HydrophobicContact CB-CH2 4.11Å; A461-W471 HydrophobicContact CB-CZ3 4.04Å; F469-W471 HydrophobicContact CB-CZ3 4.25Å; W471-S489 WeakPolarHBondContact CB-O 3.42Å; W471-P490 HydrophobicContact CD2-CB 4.23Å; W471-P490 HydrophobicContact CD2-CG 3.82Å; W471-P490 HydrophobicContact CE3-CB 3.71Å; W471-P490 HydrophobicContact CE3-CG 3.72Å; W471-P490 HydrophobicContact CG-CG 4.34Å; W471-P490 HydrophobicContact CH2-CG 4.45Å; W471-P490 HydrophobicContact CZ3-CB 4.14Å; W471-P490 HydrophobicContact CZ3-CG 4.07Å
472G98.1Very high95.8Very high0 Ų029.6 Ų29.60%015%0.147CC..EExtended strand (participates in β ladder)trans103.7-147.9-174.100000111.4N424 T486 H487N424-G472 CarbonylContact O-C 3.5Å; N424-G472 VanDerWaalsContact O-CA 3.25Å; N424-G472 WeakPolarHBondContact O-CA 3.35Å; G472-T486 WeakPolarHBondContact O-CA 3.27Å; G472-T486 WeakPolarHBondContact O-CG2 3.37Å; G472-H487 WeakPolarHBondContact CA-O 3.23Å; G472-H487 PolarHBondContact N-O 3.09Å; G472-H487 PolarHBondContact O-N 3.15Å
473R97.8Very high95.7Very high95 Ų9532.1 Ų32.136%0.35816%0.162SC..  trans-64.8133.2-176.8-156.1-176.3165.6171.7-5.5111.8N424 S457 D475 R478N424-R473 HydrophobicContact CB-CB 3.82Å; N424-R473 HydrophobicContact CB-CG 4.12Å; N424-R473 PolarHBondContact O-N 2.95Å; S457-R473 WeakPolarHBondContact O-CB 3.46Å; S457-R473 PolarHBondContact O-N 3.01Å; R473-D475 WeakPolarHBondContact CD-OD1 3Å; R473-D475 WeakPolarHBondContact CG-OD1 3.32Å; R473-D475 IonicContact CZ-OD1 3.85Å; R473-D475 IonicContact CZ-OD2 2.96Å; R473-D475 IonicContact NE-OD1 2.81Å; R473-D475 PolarHBondContact NE-OD1 2.78Å; R473-D475 IonicContact NE-OD2 3.81Å; R473-D475 PolarHBondContact NE-OD2 3.36Å; R473-D475 IonicContact NH2-OD1 3.25Å; R473-D475 IonicContact NH2-OD2 3.09Å; R473-D475 PolarHBondContact NH2-OD2 3.14Å; R473-R478 WeakPolarHBondContact O-CD 3.48Å; R473-R478 WeakPolarHBondContact O-CG 3.27Å
474G96.5Very high95.9Very high1 Ų136.3 Ų36.31%0.0118%0.181CC..  trans-102.4-11.9-173.600000117.5G477 Q484 D485 T486G474-G477 WeakPolarHBondContact O-CA 3.49Å; G474-G477 PolarHBondContact O-N 2.86Å; G474-Q484 CarbonylContact C-O 3.59Å; G474-Q484 WeakPolarHBondContact CA-O 3.24Å; G474-Q484 CarbonylContact O-C 3.53Å; G474-Q484 VanDerWaalsContact O-CA 3.27Å; G474-Q484 WeakPolarHBondContact O-CA 3.16Å; G474-D485 VanDerWaalsContact CA-O 3.28Å; G474-D485 WeakPolarHBondContact CA-O 3.22Å; G474-T486 PolarHBondContact N-OG1 3.32Å
475D96.3Very high96.2Very high37 Ų3737.7 Ų37.720%0.19819%0.189CC..G310 helixtrans-56.2145.6-173.658.6-36.1000112.6R473 G477 R478R473-D475 WeakPolarHBondContact CD-OD1 3Å; R473-D475 WeakPolarHBondContact CG-OD1 3.32Å; R473-D475 IonicContact CZ-OD1 3.85Å; R473-D475 IonicContact CZ-OD2 2.96Å; R473-D475 IonicContact NE-OD1 2.81Å; R473-D475 PolarHBondContact NE-OD1 2.78Å; R473-D475 IonicContact NE-OD2 3.81Å; R473-D475 PolarHBondContact NE-OD2 3.36Å; R473-D475 IonicContact NH2-OD1 3.25Å; R473-D475 IonicContact NH2-OD2 3.09Å; R473-D475 PolarHBondContact NH2-OD2 3.14Å; D475-G477 PolarHBondContact O-N 3.43Å; D475-R478 VanDerWaalsContact CG-CZ 3.5Å; D475-R478 PolarHBondContact O-NE 3.18Å; D475-R478 PolarHBondContact O-NH2 2.96Å; D475-R478 IonicContact OD1-CZ 2.74Å; D475-R478 IonicContact OD1-NE 3.66Å; D475-R478 PolarHBondContact OD1-NE 3.01Å; D475-R478 VanDerWaalsContact OD1-NE 3.09Å; D475-R478 IonicContact OD1-NH1 2.78Å; D475-R478 PolarHBondContact OD1-NH1 3.22Å; D475-R478 IonicContact OD1-NH2 3.65Å; D475-R478 PolarHBondContact OD1-NH2 2.97Å; D475-R478 IonicContact OD2-CZ 2.89Å; D475-R478 IonicContact OD2-NH2 2.66Å; D475-R478 PolarHBondContact OD2-NH2 2.99Å
476N95.1Very high96.6Very high41 Ų4133.9 Ų33.922%0.21918%0.176CC..G310 helixtrans64.65.7-171-43.9113.7000114.5R478 G524N476-R478 PolarHBondContact OD1-NH2 2.96Å; N476-G524 CarbonylContact O-C 3.52Å; N476-G524 WeakPolarHBondContact O-CA 3.27Å
477G96.3Very high96.8Very high0 Ų031.9 Ų31.90%017%0.17CC..G310 helixtrans74.124.3-178.700000114.2G474 D475 L479 G480G474-G477 WeakPolarHBondContact O-CA 3.49Å; G474-G477 PolarHBondContact O-N 2.86Å; D475-G477 PolarHBondContact O-N 3.43Å; G477-L479 PolarHBondContact O-N 2.98Å; G477-G480 PolarHBondContact O-N 2.92Å
478R97.1Very high96.8Very high9 Ų931.8 Ų31.83%0.03417%0.171CC..THydrogen-bonded Turntrans-60.9-14.1-176.270.8-174.469.4-174.9-3.2115.4R473 D475 N476 V508 D509 S511R473-R478 WeakPolarHBondContact O-CD 3.48Å; R473-R478 WeakPolarHBondContact O-CG 3.27Å; D475-R478 VanDerWaalsContact CG-CZ 3.5Å; D475-R478 PolarHBondContact O-NE 3.18Å; D475-R478 PolarHBondContact O-NH2 2.96Å; D475-R478 IonicContact OD1-CZ 2.74Å; D475-R478 IonicContact OD1-NE 3.66Å; D475-R478 PolarHBondContact OD1-NE 3.01Å; D475-R478 VanDerWaalsContact OD1-NE 3.09Å; D475-R478 IonicContact OD1-NH1 2.78Å; D475-R478 PolarHBondContact OD1-NH1 3.22Å; D475-R478 IonicContact OD1-NH2 3.65Å; D475-R478 PolarHBondContact OD1-NH2 2.97Å; D475-R478 IonicContact OD2-CZ 2.89Å; D475-R478 IonicContact OD2-NH2 2.66Å; D475-R478 PolarHBondContact OD2-NH2 2.99Å; N476-R478 PolarHBondContact OD1-NH2 2.96Å; R478-V508 PolarHBondContact NH1-O 3.2Å; R478-D509 VanDerWaalsContact CZ-CA 3.46Å; R478-S511 WeakPolarHBondContact O-CB 3.15Å; R478-S511 PolarHBondContact O-OG 3.07Å
479L97.8Very high96.5Very high2 Ų233.2 Ų33.21%0.0118%0.181CC..THydrogen-bonded Turntrans-84.5-18.6175.3-57.7-178.5000112.7H458 A470 G477 L481 H487H458-L479 HydrophobicContact CB-CD2 3.77Å; A470-L479 HydrophobicContact CB-CB 4.06Å; A470-L479 HydrophobicContact CB-CD2 4.16Å; A470-L479 WeakPolarHBondContact CB-O 3.48Å; G477-L479 PolarHBondContact O-N 2.98Å; L479-L481 VanDerWaalsContact C-N 3.32Å; L479-L481 HydrophobicContact CB-CD1 3.9Å; L479-L481 HydrophobicContact CB-CG 3.96Å; L479-L481 HydrophobicContact CD1-CD1 3.99Å; L479-H487 HydrophobicContact CD1-CB 4.48Å
480G97.3Very high96.4Very high3 Ų333.4 Ų33.43%0.03118%0.183CC..  trans74.218.9-179.300000114.8G477 G482 C523 H552G477-G480 PolarHBondContact O-N 2.92Å; G480-G482 VanDerWaalsContact C-N 3.33Å; G480-C523 VanDerWaalsContact CA-SG 3.59Å; G480-C523 PolarHBondContact N-SG 3.46Å; G480-H552 CarbonylContact C-O 3.5Å; G480-H552 WeakPolarHBondContact CA-O 3.29Å
481L96.3Very high96.3Very high45 Ų4536.2 Ų36.224%0.23620%0.197CC..BIsolated β-bridgetrans-88.44.9-176.4-63.1170.7000113.7L479 T483 Q491 V493 H552L479-L481 VanDerWaalsContact C-N 3.32Å; L479-L481 HydrophobicContact CB-CD1 3.9Å; L479-L481 HydrophobicContact CB-CG 3.96Å; L479-L481 HydrophobicContact CD1-CD1 3.99Å; L481-T483 PolarHBondContact O-N 2.91Å; L481-Q491 HydrophobicContact CD1-CB 3.73Å; L481-Q491 HydrophobicContact CD1-CG 3.91Å; L481-Q491 HydrophobicContact CD2-CB 3.78Å; L481-Q491 HydrophobicContact CG-CB 4.43Å; L481-V493 HydrophobicContact CD2-CG2 3.81Å; L481-H552 PolarHBondContact N-O 3.31Å
482G96.3Very high96.2Very high36 Ų3641.2 Ų41.237%0.37122%0.22SC..SBendtrans78.5-2.8-173.900000114.3G480 H552 S553G480-G482 VanDerWaalsContact C-N 3.33Å; G482-H552 WeakPolarHBondContact CA-O 3.45Å; G482-H552 PolarHBondContact N-O 3.07Å; G482-S553 WeakPolarHBondContact CA-OG 3.48Å
483T95.6Very high96Very high53 Ų5341.6 Ų41.633%0.32522%0.222SC..SBendtrans-126.4172.6177.281.40000111.1L481 D485L481-T483 PolarHBondContact O-N 2.91Å; T483-D485 WeakPolarHBondContact CB-OD2 3.29Å; T483-D485 WeakPolarHBondContact OG1-CB 3.37Å; T483-D485 PolarHBondContact OG1-N 2.7Å; T483-D485 PolarHBondContact OG1-OD2 2.85Å
484Q97.1Very high95.7Very high87 Ų8742.5 Ų42.541%0.40724%0.242SC..  trans-102.214.7172.4-58.7-168.222.500112.4G474 H552G474-Q484 CarbonylContact C-O 3.59Å; G474-Q484 WeakPolarHBondContact CA-O 3.24Å; G474-Q484 CarbonylContact O-C 3.53Å; G474-Q484 VanDerWaalsContact O-CA 3.27Å; G474-Q484 WeakPolarHBondContact O-CA 3.16Å; Q484-H552 PolarHBondContact NE2-CE1 2.73Å; Q484-H552 VanDerWaalsContact NE2-CE1 3.33Å; Q484-H552 PolarHBondContact NE2-NE2 2.74Å
485D96.8Very high95.5Very high95 Ų9544.2 Ų44.251%0.50825%0.25SS..  trans-74.9142.1-172.6-60.9-43.8000111.6G474 T483 H487G474-D485 VanDerWaalsContact CA-O 3.28Å; G474-D485 WeakPolarHBondContact CA-O 3.22Å; T483-D485 WeakPolarHBondContact CB-OD2 3.29Å; T483-D485 WeakPolarHBondContact OG1-CB 3.37Å; T483-D485 PolarHBondContact OG1-N 2.7Å; T483-D485 PolarHBondContact OG1-OD2 2.85Å; D485-H487 PolarHBondContact O-CD2 2.84Å
486T96.8Very high95.2Very high63 Ų6344.9 Ų44.939%0.38726%0.257SS..  trans-83.7129.9174.2-680000109.5N424 F432 G472 G474N424-T486 VanDerWaalsContact O-CG2 3.22Å; N424-T486 WeakPolarHBondContact O-CG2 3.38Å; F432-T486 HydrophobicContact CE1-CG2 4.28Å; G472-T486 WeakPolarHBondContact O-CA 3.27Å; G472-T486 WeakPolarHBondContact O-CG2 3.37Å; G474-T486 PolarHBondContact N-OG1 3.32Å
487H95.7Very high94.2Very high49 Ų4948.3 Ų48.323%0.22729%0.291CS..EExtended strand (participates in β ladder)trans-118.3126.2179.8-71-88.1000110.4G472 L479 D485 S489 Q491G472-H487 WeakPolarHBondContact CA-O 3.23Å; G472-H487 PolarHBondContact N-O 3.09Å; G472-H487 PolarHBondContact O-N 3.15Å; L479-H487 HydrophobicContact CD1-CB 4.48Å; D485-H487 PolarHBondContact O-CD2 2.84Å; H487-S489 VanDerWaalsContact C-N 3.33Å; H487-Q491 HydrophobicContact CB-CG 3.75Å
488N93.6Very high93.5Very high38 Ų3856.1 Ų56.120%0.20333%0.328CS..EExtended strand (participates in β ladder)trans-93.67.3179.265.16.8000113.6G428 H429 G430 F432G428-N488 CarbonylContact C-O 3.49Å; G428-N488 WeakPolarHBondContact CA-O 3.5Å; H429-N488 PolarHBondContact N-O 3.08Å; G430-N488 WeakPolarHBondContact CA-O 3.35Å; G430-N488 PolarHBondContact N-O 2.85Å; G430-N488 PolarHBondContact O-ND2 3.36Å; F432-N488 HydrophobicContact CD1-CB 4.44Å; F432-N488 HydrophobicContact CE1-CB 3.97Å; F432-N488 HydrophobicContact CE2-CB 4.19Å; F432-N488 VanDerWaalsContact CE2-ND2 3.25Å; F432-N488 WeakPolarHBondContact CE2-ND2 3.3Å; F432-N488 HydrophobicContact CZ-CB 3.83Å
489S90.8Very high93.1Very high33 Ų3357 Ų5723%0.23133%0.332CS..EExtended strand (participates in β ladder)trans-137.2146.6173.357.20000109.7W471 H487 Q491W471-S489 WeakPolarHBondContact CB-O 3.42Å; H487-S489 VanDerWaalsContact C-N 3.33Å; S489-Q491 PolarHBondContact O-N 3.02Å; S489-Q491 PolarHBondContact O-NE2 3.16Å; S489-Q491 PolarHBondContact OG-NE2 2.95Å; S489-Q491 VanDerWaalsContact OG-NE2 3.14Å
490P95.9Very high92.8Very high15 Ų1562 Ų6210%0.09736%0.356CS..EExtended strand (participates in β ladder)trans-47.3124174.6-29.835.7000112.9G428 V441 A443 L444 F469 W471G428-P490 WeakPolarHBondContact O-CD 3.41Å; V441-P490 HydrophobicContact CG1-CG 3.6Å; A443-P490 HydrophobicContact CB-CG 4.11Å; L444-P490 HydrophobicContact CD1-CB 3.9Å; L444-P490 HydrophobicContact CD1-CG 3.62Å; L444-P490 HydrophobicContact CD2-CB 3.76Å; L444-P490 HydrophobicContact CD2-CG 4.29Å; L444-P490 HydrophobicContact CG-CB 3.71Å; L444-P490 HydrophobicContact CG-CG 3.65Å; F469-P490 HydrophobicContact CB-CB 4.45Å; F469-P490 HydrophobicContact CD1-CB 4.35Å; W471-P490 HydrophobicContact CD2-CB 4.23Å; W471-P490 HydrophobicContact CD2-CG 3.82Å; W471-P490 HydrophobicContact CE3-CB 3.71Å; W471-P490 HydrophobicContact CE3-CG 3.72Å; W471-P490 HydrophobicContact CG-CG 4.34Å; W471-P490 HydrophobicContact CH2-CG 4.45Å; W471-P490 HydrophobicContact CZ3-CB 4.14Å; W471-P490 HydrophobicContact CZ3-CG 4.07Å
491Q96.4Very high92.7Very high59 Ų5961.8 Ų61.828%0.27635%0.354SS..EExtended strand (participates in β ladder)trans-112136.4173.9-57.5-55.7-57.700109.6F469 A470 L481 H487 S489 V493F469-Q491 CarbonylContact C-O 3.55Å; F469-Q491 VanDerWaalsContact CA-O 3.23Å; F469-Q491 WeakPolarHBondContact CA-O 3.27Å; A470-Q491 PolarHBondContact N-O 2.87Å; A470-Q491 PolarHBondContact O-N 3.48Å; L481-Q491 HydrophobicContact CD1-CB 3.73Å; L481-Q491 HydrophobicContact CD1-CG 3.91Å; L481-Q491 HydrophobicContact CD2-CB 3.78Å; L481-Q491 HydrophobicContact CG-CB 4.43Å; H487-Q491 HydrophobicContact CB-CG 3.75Å; S489-Q491 PolarHBondContact O-N 3.02Å; S489-Q491 PolarHBondContact O-NE2 3.16Å; S489-Q491 PolarHBondContact OG-NE2 2.95Å; S489-Q491 VanDerWaalsContact OG-NE2 3.14Å; Q491-V493 PolarHBondContact O-N 3.44Å
492Q96Very high92.6Very high105 Ų10562.4 Ų62.449%0.49136%0.356SS..EExtended strand (participates in β ladder)trans-71.2130.8175.1-168.8170.614.300110E467 F469E467-Q492 PolarHBondContact OE1-NE2 2.81Å; F469-Q492 HydrophobicContact CD1-CB 4.12Å; F469-Q492 HydrophobicContact CE1-CB 3.74Å; F469-Q492 HydrophobicContact CE1-CG 4.16Å; F469-Q492 HydrophobicContact CZ-CB 4.34Å; F469-Q492 HydrophobicContact CZ-CG 4.27Å
493V95.8Very high92.6Very high7 Ų763.9 Ų63.94%0.04235%0.352CS..EExtended strand (participates in β ladder)trans-98.3130.4178.3175.80000108.7V468 A470 L481 Q491 L495 Y554V468-V493 HydrophobicContact CB-CB 4.12Å; V468-V493 HydrophobicContact CG1-CB 4.03Å; V468-V493 HydrophobicContact CG1-CG1 4.49Å; V468-V493 HydrophobicContact CG1-CG2 4.2Å; V468-V493 PolarHBondContact O-N 2.81Å; A470-V493 HydrophobicContact CB-CG2 3.62Å; L481-V493 HydrophobicContact CD2-CG2 3.81Å; Q491-V493 PolarHBondContact O-N 3.44Å; V493-L495 HydrophobicContact CG1-CD2 4.31Å; V493-Y554 HydrophobicContact CG1-CD2 3.41Å; V493-Y554 VanDerWaalsContact CG1-CD2 3.41Å; V493-Y554 HydrophobicContact CG1-CE2 3.54Å; V493-Y554 HydrophobicContact CG2-CE2 4.47Å
494C90.6Very high92.7Very high114 Ų11461.3 Ų61.377%0.7734%0.336SS*.PPolyproline II helixtrans-87.7116.8173.7-63.70000109.9
495L92.1Very high92.7Very high37 Ų3758 Ų5819%0.19432%0.322CS..PPolyproline II helixtrans-87.4157.8169.2-61.6-176.9000110.4V468 V493 A497 A501 V513 Y554V468-L495 HydrophobicContact CG2-CD1 3.85Å; V468-L495 HydrophobicContact CG2-CG 4.38Å; V493-L495 HydrophobicContact CG1-CD2 4.31Å; L495-A497 PolarHBondContact O-N 3.01Å; L495-A501 HydrophobicContact CD1-CB 3.88Å; L495-V513 HydrophobicContact CD1-CG1 4.29Å; L495-Y554 HydrophobicContact CD2-CD2 3.96Å; L495-Y554 HydrophobicContact CD2-CG 3.82Å
496P89.5Confident92.7Very high51 Ų5154 Ų5433%0.33130%0.301SS..PPolyproline II helixtrans-53.2138.4170.4-24.834.9000111.4E498 L499 L521P496-E498 PolarHBondContact O-N 2.74Å; P496-L499 PolarHBondContact O-N 3.42Å; P496-L521 HydrophobicContact CG-CD2 3.76Å
497A74.8Confident92.6Very high114 Ų11451.2 Ų51.294%0.94229%0.285SS*.THydrogen-bonded Turntrans-58.9-7.9-164.600000116.7L495L495-A497 PolarHBondContact O-N 3.01Å
498E81.4Confident92.6Very high164 Ų16451 Ų5177%0.76629%0.287SS*.THydrogen-bonded Turntrans-108.8-4.9-177.6-61.5178.2-177.600113P496 Q517P496-E498 PolarHBondContact O-N 2.74Å; E498-Q517 PolarHBondContact O-NE2 2.98Å
499L87.9Confident92.7Very high26 Ų2649.5 Ų49.514%0.13628%0.279CS..  trans-122.3118.4-170.6-65.8171.4000111.4P496 L521 P556P496-L499 PolarHBondContact O-N 3.42Å; L499-L521 HydrophobicContact CB-CD1 4.3Å; L499-L521 HydrophobicContact CD1-CD1 4.07Å; L499-L521 HydrophobicContact CD1-CD2 3.78Å; L499-L521 HydrophobicContact CD1-CG 4.1Å; L499-P556 HydrophobicContact CD1-CG 4.4Å
500E92.6Very high93Very high107 Ų10747.9 Ų47.950%0.527%0.268SS..  trans-100.9138.1176.2-68.5-178.4166.800111R466 S515 T516R466-E500 HydrophobicContact CB-CB 3.94Å; R466-E500 HydrophobicContact CB-CG 4.26Å; R466-E500 HydrophobicContact CG-CB 4.05Å; R466-E500 HydrophobicContact CG-CG 4.37Å; E500-S515 CarbonylContact O-C 3.44Å; E500-S515 WeakPolarHBondContact O-CA 3.42Å; E500-S515 WeakPolarHBondContact O-CB 3.45Å; E500-T516 HydrophobicContact CB-CG2 4.1Å; E500-T516 PolarHBondContact O-N 2.92Å
501A94.7Very high93.1Very high0 Ų047.2 Ų47.20%026%0.263CS..EExtended strand (participates in β ladder)trans-73.6128.4-18000000112.7V462 R466 V468 L495 V513V462-A501 HydrophobicContact CB-CB 4.49Å; V462-A501 HydrophobicContact CG2-CB 3.72Å; R466-A501 WeakPolarHBondContact CD-O 3.44Å; V468-A501 HydrophobicContact CG2-CB 3.33Å; L495-A501 HydrophobicContact CD1-CB 3.88Å; A501-V513 HydrophobicContact CB-CG1 3.6Å
502Q94Very high93.2Very high57 Ų5744.4 Ų44.427%0.26625%0.251SS..EExtended strand (participates in β ladder)trans-103.4-44.8170.1-173.2-179.2-3.900111.9V514 S515 T516Q502-V514 WeakPolarHBondContact CA-O 3.19Å; Q502-V514 WeakPolarHBondContact CB-O 3.39Å; Q502-V514 PolarHBondContact N-O 2.86Å; Q502-S515 PolarHBondContact OE1-O 3.1Å; Q502-T516 HydrophobicContact CB-CG2 4.13Å
503K95.6Very high93.3Very high67 Ų6739.4 Ų39.429%0.29123%0.227SC..EExtended strand (participates in β ladder)trans-134.8150.7179-58.4-177.3-177.4171.30111.1Q451 V513 V514 V568Q451-K503 VanDerWaalsContact OE1-CA 3.24Å; K503-V513 CarbonylContact O-C 3.56Å; K503-V513 WeakPolarHBondContact O-CA 3.47Å; K503-V514 HydrophobicContact CB-CB 4.2Å; K503-V514 HydrophobicContact CB-CG2 4.49Å; K503-V514 PolarHBondContact N-O 2.92Å; K503-V514 VanDerWaalsContact N-O 3.08Å; K503-V514 PolarHBondContact O-N 2.91Å; K503-V568 PolarHBondContact NZ-O 3.09Å
504V97.8Very high93.3Very high0 Ų039.2 Ų39.20%023%0.226CC..EExtended strand (participates in β ladder)trans-124.3137.9177.5-62.60000110Q451 S453 V460 V462 V513Q451-V504 HydrophobicContact CB-CG2 4.45Å; Q451-V504 HydrophobicContact CG-CG2 4.03Å; Q451-V504 PolarHBondContact NE2-O 3.02Å; S453-V504 WeakPolarHBondContact CB-O 3.48Å; V460-V504 HydrophobicContact CB-CB 4.38Å; V460-V504 HydrophobicContact CG1-CB 3.88Å; V460-V504 HydrophobicContact CG1-CG1 3.82Å; V460-V504 HydrophobicContact CG1-CG2 4.46Å; V462-V504 HydrophobicContact CB-CG1 3.84Å; V462-V504 HydrophobicContact CG1-CG1 3.87Å; V462-V504 HydrophobicContact CG1-CG2 4.09Å; V504-V513 HydrophobicContact CG1-CG2 4.24Å
505V97.4Very high93.5Very high17 Ų1733.8 Ų33.810%0.10319%0.189CC..EExtended strand (participates in β ladder)trans-138.1131.8-179.9-177.20000109.4S511 M512 V570 I572V505-S511 CarbonylContact O-C 3.49Å; V505-S511 WeakPolarHBondContact O-CA 3.31Å; V505-M512 PolarHBondContact N-O 3.42Å; V505-M512 PolarHBondContact O-N 3.22Å; V505-V570 HydrophobicContact CB-CG2 4.36Å; V505-V570 HydrophobicContact CG2-CG2 3.81Å; V505-I572 HydrophobicContact CB-CD1 4.32Å; V505-I572 HydrophobicContact CG1-CD1 3.93Å; V505-I572 HydrophobicContact CG1-CG1 3.91Å
506C96.9Very high93.6Very high11 Ų1134.3 Ų34.37%0.07419%0.194CC..EExtended strand (participates in β ladder)trans-112.9134.4179.4-66.70000110.8S453 C454 G455 V460S453-C506 PolarHBondContact O-SG 2.97Å; S453-C506 PolarHBondContact OG-N 3.37Å; C454-C506 VanDerWaalsContact C-CB 3.41Å; G455-C506 VanDerWaalsContact CA-CB 3.47Å; V460-C506 VanDerWaalsContact CB-SG 3.59Å; V460-C506 WeakPolarHBondContact CG2-SG 3.17Å
507G95.3Very high93.7Very high5 Ų537 Ų375%0.05220%0.202CC..  trans-97.9-162.6168.500000112.2G455 A456 H458 C510G455-G507 WeakPolarHBondContact CA-O 3.3Å; A456-G507 PolarHBondContact N-O 2.97Å; H458-G507 PolarHBondContact CE1-O 3.44Å; G507-C510 PolarHBondContact N-O 3.33Å
508V94.8Very high94.6Very high43 Ų4335 Ų3526%0.26117%0.17SC..SBendtrans-72-37.3178.3176.10000112.3A456 R478 T574A456-V508 HydrophobicContact CB-CB 4.39Å; A456-V508 HydrophobicContact CB-CG1 4.03Å; R478-V508 PolarHBondContact NH1-O 3.2Å; V508-T574 HydrophobicContact CG2-CG2 4.47Å
509D96.4Very high95.1Very high7 Ų729.8 Ų29.84%0.03715%0.148CC..SBendtrans-142.520.4-171.360.5-0.5000113.3R478 S525 R527 K530R478-D509 VanDerWaalsContact CZ-CA 3.46Å; D509-S525 PolarHBondContact O-N 2.85Å; D509-S525 VanDerWaalsContact O-N 3.11Å; D509-R527 IonicContact OD2-CZ 2.67Å; D509-R527 IonicContact OD2-NH2 2.79Å; D509-R527 PolarHBondContact OD2-NH2 2.84Å; D509-K530 VanDerWaalsContact CG-NZ 3.33Å; D509-K530 WeakPolarHBondContact OD1-CE 3.37Å; D509-K530 IonicContact OD1-NZ 3.73Å; D509-K530 PolarHBondContact OD1-NZ 3.5Å; D509-K530 IonicContact OD2-NZ 2.86Å; D509-K530 PolarHBondContact OD2-NZ 2.83Å
510C97.9Very high95.5Very high0 Ų028.8 Ų28.80%014%0.142CC..EExtended strand (participates in β ladder)trans-160.5168.6-174.746.70000111.3G507 C523 L531G507-C510 PolarHBondContact N-O 3.33Å; C510-C523 CarbonylContact C-O 3.57Å; C510-C523 VanDerWaalsContact CA-O 3.29Å; C510-C523 WeakPolarHBondContact CA-O 3.41Å; C510-C523 VanDerWaalsContact CB-O 3.24Å; C510-C523 WeakPolarHBondContact CB-O 3.44Å; C510-L531 HydrophobicContact CB-CD1 3.92Å; C510-L531 HydrophobicContact CB-CD2 3.8Å; C510-L531 HydrophobicContact CB-CG 4.39Å
511S98.3Very high95.7Very high0 Ų023.7 Ų23.70%012%0.119CC..EExtended strand (participates in β ladder)trans-143.7151.9177.7-52.50000110.8H458 R478 V505 A522 C523 Y554H458-S511 PolarHBondContact NE2-OG 3.38Å; R478-S511 WeakPolarHBondContact O-CB 3.15Å; R478-S511 PolarHBondContact O-OG 3.07Å; V505-S511 CarbonylContact O-C 3.49Å; V505-S511 WeakPolarHBondContact O-CA 3.31Å; S511-A522 WeakPolarHBondContact O-CA 3.37Å; S511-C523 PolarHBondContact N-O 2.87Å; S511-C523 PolarHBondContact O-N 2.83Å; S511-Y554 VanDerWaalsContact CB-OH 3.26Å; S511-Y554 WeakPolarHBondContact CB-OH 3.21Å
512M98.2Very high95.8Very high1 Ų123.7 Ų23.71%0.00512%0.119CC..EExtended strand (participates in β ladder)trans-129.3150172.8-69.9178.3-177.100111.4V505 I520 L521 A522 L531 V570 I572 F589V505-M512 PolarHBondContact N-O 3.42Å; V505-M512 PolarHBondContact O-N 3.22Å; M512-I520 HydrophobicContact CB-CG2 4.23Å; M512-I520 HydrophobicContact CG-CG2 4.14Å; M512-I520 HydrophobicContact SD-CG2 3.96Å; M512-L521 CarbonylContact C-O 3.49Å; M512-L521 VanDerWaalsContact CA-O 3.22Å; M512-L521 WeakPolarHBondContact CA-O 3.22Å; M512-A522 HydrophobicContact CG-CB 3.91Å; M512-L531 HydrophobicContact CE-CB 4.15Å; M512-L531 HydrophobicContact CE-CD2 3.49Å; M512-L531 VanDerWaalsContact CE-CD2 3.49Å; M512-L531 HydrophobicContact CE-CG 4.46Å; M512-V570 HydrophobicContact SD-CG2 4.45Å; M512-I572 HydrophobicContact CB-CD1 3.88Å; M512-I572 HydrophobicContact CE-CD1 4.29Å; M512-I572 HydrophobicContact CE-CG1 4.19Å; M512-I572 HydrophobicContact CG-CD1 3.55Å; M512-I572 HydrophobicContact CG-CG1 4.28Å; M512-I572 HydrophobicContact SD-CD1 3.81Å; M512-I572 HydrophobicContact SD-CG1 3.86Å; M512-F589 HydrophobicContact CE-CE2 4.11Å; M512-F589 HydrophobicContact CE-CZ 4.28Å
513V97.6Very high96Very high0 Ų021 Ų210%011%0.106CC..EExtended strand (participates in β ladder)trans-121.2130.5169.9171.20000107.6L495 A501 K503 V504 I520 L521 Y554L495-V513 HydrophobicContact CD1-CG1 4.29Å; A501-V513 HydrophobicContact CB-CG1 3.6Å; K503-V513 CarbonylContact O-C 3.56Å; K503-V513 WeakPolarHBondContact O-CA 3.47Å; V504-V513 HydrophobicContact CG1-CG2 4.24Å; V513-I520 WeakPolarHBondContact O-CA 3.25Å; V513-L521 HydrophobicContact CB-CB 4.46Å; V513-L521 HydrophobicContact CB-CD1 4.34Å; V513-L521 HydrophobicContact CG1-CD1 4.19Å; V513-L521 PolarHBondContact N-O 2.85Å; V513-L521 PolarHBondContact O-N 2.86Å; V513-Y554 HydrophobicContact CB-CD1 4.33Å; V513-Y554 HydrophobicContact CB-CE1 4.22Å; V513-Y554 HydrophobicContact CG2-CD1 3.88Å; V513-Y554 HydrophobicContact CG2-CE1 3.44Å; V513-Y554 VanDerWaalsContact CG2-CE1 3.44Å
514V96.4Very high96.1Very high3 Ų317.8 Ų17.82%0.0189%0.092CC..EExtended strand (participates in β ladder)trans-95.5122.6165.8-174.90000107.3Q502 K503 V570Q502-V514 WeakPolarHBondContact CA-O 3.19Å; Q502-V514 WeakPolarHBondContact CB-O 3.39Å; Q502-V514 PolarHBondContact N-O 2.86Å; K503-V514 HydrophobicContact CB-CB 4.2Å; K503-V514 HydrophobicContact CB-CG2 4.49Å; K503-V514 PolarHBondContact N-O 2.92Å; K503-V514 VanDerWaalsContact N-O 3.08Å; K503-V514 PolarHBondContact O-N 2.91Å; V514-V570 HydrophobicContact CG2-CG1 4.35Å; V514-V570 HydrophobicContact CG2-CG2 3.67Å
515S94.9Very high96.2Very high0 Ų018 Ų180%09%0.093CC..EExtended strand (participates in β ladder)trans-78.7165.1-179.478.60000112E500 Q502 Q517 W518 N519E500-S515 CarbonylContact O-C 3.44Å; E500-S515 WeakPolarHBondContact O-CA 3.42Å; E500-S515 WeakPolarHBondContact O-CB 3.45Å; Q502-S515 PolarHBondContact OE1-O 3.1Å; S515-Q517 PolarHBondContact O-N 3.11Å; S515-Q517 PolarHBondContact OG-N 3.23Å; S515-W518 PolarHBondContact O-N 2.88Å; S515-N519 PolarHBondContact N-O 2.84Å; S515-N519 PolarHBondContact OG-N 2.88Å; S515-N519 VanDerWaalsContact OG-N 3.15Å; S515-N519 PolarHBondContact OG-O 3.21Å
516T93.3Very high96.2Very high48 Ų4817.1 Ų17.129%0.2949%0.089SC..THydrogen-bonded Turntrans-62.6-16.3171.353.40000113.7E500 Q502E500-T516 HydrophobicContact CB-CG2 4.1Å; E500-T516 PolarHBondContact O-N 2.92Å; Q502-T516 HydrophobicContact CB-CG2 4.13Å
517Q92.4Very high96.1Very high108 Ų10822.8 Ų22.851%0.50511%0.108SC..THydrogen-bonded Turntrans-93.98175.7-61.1175.122.100112.6E498 S515 N519E498-Q517 PolarHBondContact O-NE2 2.98Å; S515-Q517 PolarHBondContact O-N 3.11Å; S515-Q517 PolarHBondContact OG-N 3.23Å; Q517-N519 WeakPolarHBondContact CB-OD1 3.38Å; Q517-N519 PolarHBondContact O-N 2.74Å
518W92.2Very high96.1Very high70 Ų7026.3 Ų26.327%0.26512%0.122SC..SBendtrans66.818.9-178.5-47.498.6000114.9S515 R566 I567 V568S515-W518 PolarHBondContact O-N 2.88Å; W518-R566 HydrophobicContact CB-CB 4.17Å; W518-R566 HydrophobicContact CB-CG 4.38Å; W518-R566 HydrophobicContact CG-CB 4.46Å; W518-I567 PolarHBondContact O-N 3.43Å; W518-V568 HydrophobicContact CE3-CB 4.31Å; W518-V568 HydrophobicContact CE3-CG1 3.86Å; W518-V568 HydrophobicContact CH2-CG1 4.2Å; W518-V568 HydrophobicContact CZ3-CB 3.91Å; W518-V568 HydrophobicContact CZ3-CG1 3.66Å
519N92.1Very high96.2Very high56 Ų5624.2 Ų24.230%0.29911%0.11SC..  trans-88.8151.3170.9-53.7104.7000110.7S515 Q517S515-N519 PolarHBondContact N-O 2.84Å; S515-N519 PolarHBondContact OG-N 2.88Å; S515-N519 VanDerWaalsContact OG-N 3.15Å; S515-N519 PolarHBondContact OG-O 3.21Å; Q517-N519 WeakPolarHBondContact CB-OD1 3.38Å; Q517-N519 PolarHBondContact O-N 2.74Å
520I96.3Very high96.2Very high4 Ų424 Ų242%0.02111%0.108CC..EExtended strand (participates in β ladder)trans-101.4131.5175.1-53.5164.1000109M512 V513 V557 I567 V570M512-I520 HydrophobicContact CB-CG2 4.23Å; M512-I520 HydrophobicContact CG-CG2 4.14Å; M512-I520 HydrophobicContact SD-CG2 3.96Å; V513-I520 WeakPolarHBondContact O-CA 3.25Å; I520-V557 HydrophobicContact CB-CB 4.19Å; I520-V557 HydrophobicContact CB-CG2 3.64Å; I520-V557 HydrophobicContact CG2-CG2 3.6Å; I520-V557 WeakPolarHBondContact O-CG2 3.14Å; I520-V557 PolarHBondContact O-N 3.46Å; I520-I567 HydrophobicContact CD1-CB 4.06Å; I520-I567 HydrophobicContact CD1-CG1 3.85Å; I520-I567 HydrophobicContact CD1-CG2 3.99Å; I520-I567 HydrophobicContact CG1-CB 4.24Å; I520-I567 HydrophobicContact CG1-CG1 4.36Å; I520-I567 HydrophobicContact CG1-CG2 4.44Å; I520-V570 HydrophobicContact CD1-CG1 3.75Å; I520-V570 HydrophobicContact CG1-CG1 4.19Å
521L97Very high96.2Very high0 Ų024 Ų240%011%0.108CC..EExtended strand (participates in β ladder)trans-109.4142.4162.4-53.597.1000109.1P496 L499 M512 V513 Y554 T555 P556P496-L521 HydrophobicContact CG-CD2 3.76Å; L499-L521 HydrophobicContact CB-CD1 4.3Å; L499-L521 HydrophobicContact CD1-CD1 4.07Å; L499-L521 HydrophobicContact CD1-CD2 3.78Å; L499-L521 HydrophobicContact CD1-CG 4.1Å; M512-L521 CarbonylContact C-O 3.49Å; M512-L521 VanDerWaalsContact CA-O 3.22Å; M512-L521 WeakPolarHBondContact CA-O 3.22Å; V513-L521 HydrophobicContact CB-CB 4.46Å; V513-L521 HydrophobicContact CB-CD1 4.34Å; V513-L521 HydrophobicContact CG1-CD1 4.19Å; V513-L521 PolarHBondContact N-O 2.85Å; V513-L521 PolarHBondContact O-N 2.86Å; L521-Y554 HydrophobicContact CB-CD1 4.08Å; L521-T555 CarbonylContact C-O 3.55Å; L521-T555 WeakPolarHBondContact CA-O 3.46Å; L521-P556 HydrophobicContact CD2-CG 4.4Å
522A98.1Very high96.1Very high0 Ų024 Ų240%011%0.108CC..EExtended strand (participates in β ladder)trans-132.7152.5179.300000112.1S511 M512 L531 L533 V551 T555 V557S511-A522 WeakPolarHBondContact O-CA 3.37Å; M512-A522 HydrophobicContact CG-CB 3.91Å; A522-L531 HydrophobicContact CB-CB 3.82Å; A522-L531 HydrophobicContact CB-CD1 4.09Å; A522-L531 HydrophobicContact CB-CD2 4.39Å; A522-L531 HydrophobicContact CB-CG 4.32Å; A522-L533 HydrophobicContact CB-CD2 4.26Å; A522-L533 HydrophobicContact CB-CG 4.5Å; A522-V551 WeakPolarHBondContact O-CG2 3.31Å; A522-T555 PolarHBondContact N-O 2.61Å; A522-T555 PolarHBondContact O-N 2.88Å; A522-V557 HydrophobicContact CB-CG2 4.46Å
523C97.9Very high96.1Very high0 Ų024.2 Ų24.20%011%0.11CC..EExtended strand (participates in β ladder)trans-142.7160.516969.10000111.5G480 C510 S511 V551 Y554G480-C523 VanDerWaalsContact CA-SG 3.59Å; G480-C523 PolarHBondContact N-SG 3.46Å; C510-C523 CarbonylContact C-O 3.57Å; C510-C523 VanDerWaalsContact CA-O 3.29Å; C510-C523 WeakPolarHBondContact CA-O 3.41Å; C510-C523 VanDerWaalsContact CB-O 3.24Å; C510-C523 WeakPolarHBondContact CB-O 3.44Å; S511-C523 PolarHBondContact N-O 2.87Å; S511-C523 PolarHBondContact O-N 2.83Å; C523-V551 HydrophobicContact CB-CG2 4.38Å; C523-Y554 HydrophobicContact CB-CD1 4.31Å; C523-Y554 HydrophobicContact CB-CD2 4.5Å; C523-Y554 HydrophobicContact CB-CE1 4.47Å; C523-Y554 HydrophobicContact CB-CG 4.35Å
524G98.1Very high96.1Very high0 Ų024.2 Ų24.20%011%0.11CC..EExtended strand (participates in β ladder)trans104.3-157.4-17700000114.1N476 N526 E550 V551N476-G524 CarbonylContact O-C 3.52Å; N476-G524 WeakPolarHBondContact O-CA 3.27Å; G524-N526 PolarHBondContact O-N 2.91Å; G524-E550 VanDerWaalsContact O-CA 3.31Å; G524-E550 WeakPolarHBondContact O-CA 3.28Å; G524-V551 PolarHBondContact N-O 3.41Å; G524-V551 PolarHBondContact O-N 3.29Å; G524-V551 VanDerWaalsContact O-N 3.16Å
525S97.9Very high96Very high4 Ų428.8 Ų28.83%0.02813%0.132CC..EExtended strand (participates in β ladder)trans-71.5123.6177.9-174.40000112.2D509 R527 K530 L531D509-S525 PolarHBondContact O-N 2.85Å; D509-S525 VanDerWaalsContact O-N 3.11Å; S525-R527 WeakPolarHBondContact OG-CG 3.25Å; S525-R527 PolarHBondContact OG-NE 2.83Å; S525-K530 WeakPolarHBondContact O-CE 3.34Å; S525-L531 WeakPolarHBondContact O-CD1 3.4Å
526N97.6Very high96Very high0 Ų029 Ų290%013%0.133CC..  trans-10528.6174.5-169.140.5000113.2G524 F528 N529 K530 L531 L533 D534 V548 E549G524-N526 PolarHBondContact O-N 2.91Å; N526-F528 PolarHBondContact O-N 2.84Å; N526-N529 PolarHBondContact ND2-OD1 3.35Å; N526-N529 VanDerWaalsContact ND2-OD1 3.07Å; N526-N529 WeakPolarHBondContact O-CA 3.4Å; N526-N529 PolarHBondContact O-N 2.87Å; N526-N529 VanDerWaalsContact OD1-CA 3.3Å; N526-N529 WeakPolarHBondContact OD1-CA 3.26Å; N526-K530 PolarHBondContact OD1-N 2.87Å; N526-L531 HydrophobicContact CB-CB 4.3Å; N526-L531 HydrophobicContact CB-CD1 4.13Å; N526-L531 HydrophobicContact CB-CG 4.25Å; N526-L531 VanDerWaalsContact OD1-CA 3.29Å; N526-L531 WeakPolarHBondContact OD1-CA 3.31Å; N526-L531 WeakPolarHBondContact OD1-CB 3.42Å; N526-L531 PolarHBondContact OD1-N 3.07Å; N526-L533 HydrophobicContact CB-CD1 4.08Å; N526-D534 PolarHBondContact ND2-OD1 3.2Å; N526-V548 WeakPolarHBondContact CB-O 3.49Å; N526-V548 PolarHBondContact ND2-O 3Å; N526-E549 CarbonylContact C-O 3.59Å; N526-E549 WeakPolarHBondContact CA-O 3.39Å; N526-E549 PolarHBondContact N-O 3.39Å
527R95.4Very high95.7Very high130 Ų13032.7 Ų32.749%0.49116%0.156SC..G310 helixtrans-52.2133.8176.9-73.6-179.7-67172.3-0111.1D509 S525 N529 K530D509-R527 IonicContact OD2-CZ 2.67Å; D509-R527 IonicContact OD2-NH2 2.79Å; D509-R527 PolarHBondContact OD2-NH2 2.84Å; S525-R527 WeakPolarHBondContact OG-CG 3.25Å; S525-R527 PolarHBondContact OG-NE 2.83Å; R527-N529 PolarHBondContact O-N 3.19Å; R527-K530 WeakPolarHBondContact O-CG 3.48Å; R527-K530 PolarHBondContact O-N 3.46Å
528F94.9Very high95.1Very high78 Ų7831 Ų3134%0.34216%0.161SC..G310 helixtrans61.219.6-175.1-48.8-75.8000114.7N526 K530 G590N526-F528 PolarHBondContact O-N 2.84Å; F528-K530 VanDerWaalsContact C-N 3.28Å; F528-K530 PolarHBondContact O-N 3.05Å; F528-G590 VanDerWaalsContact O-CA 3.25Å; F528-G590 WeakPolarHBondContact O-CA 3.49Å
529N96.9Very high94.2Very high0 Ų029.9 Ų29.90%017%0.171CC..G310 helixtrans60.131.1-172.7-161.232.6000114.6N526 R527 L531 G532 L533 D534 S559 F589 R606N526-N529 PolarHBondContact ND2-OD1 3.35Å; N526-N529 VanDerWaalsContact ND2-OD1 3.07Å; N526-N529 WeakPolarHBondContact O-CA 3.4Å; N526-N529 PolarHBondContact O-N 2.87Å; N526-N529 VanDerWaalsContact OD1-CA 3.3Å; N526-N529 WeakPolarHBondContact OD1-CA 3.26Å; R527-N529 PolarHBondContact O-N 3.19Å; N529-L531 PolarHBondContact O-N 3.28Å; N529-L531 VanDerWaalsContact O-N 3.09Å; N529-G532 PolarHBondContact O-N 2.75Å; N529-G532 VanDerWaalsContact OD1-C 3.32Å; N529-G532 VanDerWaalsContact OD1-CA 3.27Å; N529-G532 WeakPolarHBondContact OD1-CA 3.45Å; N529-G532 PolarHBondContact OD1-N 3.31Å; N529-L533 PolarHBondContact OD1-N 2.86Å; N529-D534 HydrophobicContact CB-CB 4.47Å; N529-D534 WeakPolarHBondContact CB-OD2 3.49Å; N529-D534 VanDerWaalsContact OD1-CG 3.27Å; N529-D534 PolarHBondContact OD1-N 3.49Å; N529-D534 PolarHBondContact OD1-OD1 2.69Å; N529-S559 PolarHBondContact ND2-OG 2.86Å; N529-F589 WeakPolarHBondContact O-CD2 3.16Å; N529-R606 HydrophobicContact CB-CB 3.96Å; N529-R606 HydrophobicContact CB-CG 4.44Å; N529-R606 PolarHBondContact ND2-O 2.91Å
530K96.8Very high94Very high2 Ų234.2 Ų34.21%0.00919%0.189CC..THydrogen-bonded Turntrans-65.7-10.3-178.872.8-179.7-176.9179.20114.5D509 S525 N526 R527 F528 T574 S577 F589D509-K530 VanDerWaalsContact CG-NZ 3.33Å; D509-K530 WeakPolarHBondContact OD1-CE 3.37Å; D509-K530 IonicContact OD1-NZ 3.73Å; D509-K530 PolarHBondContact OD1-NZ 3.5Å; D509-K530 IonicContact OD2-NZ 2.86Å; D509-K530 PolarHBondContact OD2-NZ 2.83Å; S525-K530 WeakPolarHBondContact O-CE 3.34Å; N526-K530 PolarHBondContact OD1-N 2.87Å; R527-K530 WeakPolarHBondContact O-CG 3.48Å; R527-K530 PolarHBondContact O-N 3.46Å; F528-K530 VanDerWaalsContact C-N 3.28Å; F528-K530 PolarHBondContact O-N 3.05Å; K530-T574 PolarHBondContact NZ-O 2.77Å; K530-S577 VanDerWaalsContact O-CB 3.23Å; K530-S577 WeakPolarHBondContact O-CB 3.34Å; K530-S577 PolarHBondContact O-OG 3.09Å; K530-F589 WeakPolarHBondContact O-CD2 3.46Å; K530-F589 WeakPolarHBondContact O-CE2 3.46Å
531L97.8Very high93.6Very high0 Ų038.7 Ų38.70%021%0.21CC..THydrogen-bonded Turntrans-104.5-4.9173.6-53.3-179000112.8C510 M512 A522 S525 N526 N529 L533 V557C510-L531 HydrophobicContact CB-CD1 3.92Å; C510-L531 HydrophobicContact CB-CD2 3.8Å; C510-L531 HydrophobicContact CB-CG 4.39Å; M512-L531 HydrophobicContact CE-CB 4.15Å; M512-L531 HydrophobicContact CE-CD2 3.49Å; M512-L531 VanDerWaalsContact CE-CD2 3.49Å; M512-L531 HydrophobicContact CE-CG 4.46Å; A522-L531 HydrophobicContact CB-CB 3.82Å; A522-L531 HydrophobicContact CB-CD1 4.09Å; A522-L531 HydrophobicContact CB-CD2 4.39Å; A522-L531 HydrophobicContact CB-CG 4.32Å; S525-L531 WeakPolarHBondContact O-CD1 3.4Å; N526-L531 HydrophobicContact CB-CB 4.3Å; N526-L531 HydrophobicContact CB-CD1 4.13Å; N526-L531 HydrophobicContact CB-CG 4.25Å; N526-L531 VanDerWaalsContact OD1-CA 3.29Å; N526-L531 WeakPolarHBondContact OD1-CA 3.31Å; N526-L531 WeakPolarHBondContact OD1-CB 3.42Å; N526-L531 PolarHBondContact OD1-N 3.07Å; N529-L531 PolarHBondContact O-N 3.28Å; N529-L531 VanDerWaalsContact O-N 3.09Å; L531-L533 VanDerWaalsContact C-N 3.3Å; L531-L533 HydrophobicContact CB-CD1 4.1Å; L531-L533 HydrophobicContact CB-CG 4Å; L531-L533 HydrophobicContact CD1-CD1 4.13Å; L531-L533 PolarHBondContact O-N 2.96Å; L531-V557 VanDerWaalsContact O-CG2 3.31Å; L531-V557 WeakPolarHBondContact O-CG2 3.34Å
532G97.1Very high93.4Very high0 Ų039.3 Ų39.30%021%0.213CC..  trans68.624.8-179.900000114.2N529 V557 Q558 S559N529-G532 PolarHBondContact O-N 2.75Å; N529-G532 VanDerWaalsContact OD1-C 3.32Å; N529-G532 VanDerWaalsContact OD1-CA 3.27Å; N529-G532 WeakPolarHBondContact OD1-CA 3.45Å; N529-G532 PolarHBondContact OD1-N 3.31Å; G532-V557 VanDerWaalsContact O-CG1 3.23Å; G532-V557 WeakPolarHBondContact O-CG1 3.3Å; G532-Q558 PolarHBondContact O-N 3.26Å; G532-S559 VanDerWaalsContact C-OG 3.32Å; G532-S559 WeakPolarHBondContact O-CB 3.07Å; G532-S559 PolarHBondContact O-N 2.91Å; G532-S559 PolarHBondContact O-OG 3.44Å; G532-S559 VanDerWaalsContact O-OG 3.09Å
533L97.5Very high93Very high6 Ų645.1 Ų45.13%0.03125%0.245CC..  trans-82.5-13.5-178.8-63.6171.4000113.4A522 N526 N529 L531 V548 V551 T555A522-L533 HydrophobicContact CB-CD2 4.26Å; A522-L533 HydrophobicContact CB-CG 4.5Å; N526-L533 HydrophobicContact CB-CD1 4.08Å; N529-L533 PolarHBondContact OD1-N 2.86Å; L531-L533 VanDerWaalsContact C-N 3.3Å; L531-L533 HydrophobicContact CB-CD1 4.1Å; L531-L533 HydrophobicContact CB-CG 4Å; L531-L533 HydrophobicContact CD1-CD1 4.13Å; L531-L533 PolarHBondContact O-N 2.96Å; L533-V548 HydrophobicContact CB-CB 4Å; L533-V548 HydrophobicContact CB-CG1 4.11Å; L533-V548 HydrophobicContact CB-CG2 4.45Å; L533-V548 HydrophobicContact CD1-CG1 4.34Å; L533-V551 HydrophobicContact CD1-CB 4.37Å; L533-V551 HydrophobicContact CD1-CG1 3.91Å; L533-V551 HydrophobicContact CD1-CG2 3.54Å; L533-T555 HydrophobicContact CD2-CG2 4.28Å
534D97.1Very high92.6Very high0 Ų052.9 Ų52.90%028%0.281CS..SBendtrans-64.6142.9174.1-64.1-3.1000110.2N526 N529 I536 P542 N546 Q547 V548 Q558 S559 R606N526-D534 PolarHBondContact ND2-OD1 3.2Å; N529-D534 HydrophobicContact CB-CB 4.47Å; N529-D534 WeakPolarHBondContact CB-OD2 3.49Å; N529-D534 VanDerWaalsContact OD1-CG 3.27Å; N529-D534 PolarHBondContact OD1-N 3.49Å; N529-D534 PolarHBondContact OD1-OD1 2.69Å; D534-I536 HydrophobicContact CB-CD1 4.24Å; D534-I536 HydrophobicContact CB-CG1 4.21Å; D534-I536 PolarHBondContact O-N 2.83Å; D534-P542 HydrophobicContact CB-CB 4.33Å; D534-P542 HydrophobicContact CB-CG 4.08Å; D534-N546 CarbonylContact C-O 3.45Å; D534-N546 VanDerWaalsContact CA-O 3.27Å; D534-N546 WeakPolarHBondContact CA-O 3.31Å; D534-Q547 WeakPolarHBondContact OD1-CA 3.43Å; D534-V548 PolarHBondContact OD1-N 2.82Å; D534-Q558 CarbonylContact O-C 3.55Å; D534-Q558 VanDerWaalsContact O-C 3.32Å; D534-S559 WeakPolarHBondContact O-CA 3.33Å; D534-S559 PolarHBondContact O-N 2.89Å; D534-S559 VanDerWaalsContact O-N 3.15Å; D534-S559 PolarHBondContact O-OG 3.05Å; D534-R606 IonicContact OD1-CZ 3.95Å; D534-R606 IonicContact OD1-NH2 3.94Å; D534-R606 PolarHBondContact OD1-NH2 3.09Å; D534-R606 IonicContact OD2-CZ 3.74Å; D534-R606 IonicContact OD2-NE 3.93Å; D534-R606 PolarHBondContact OD2-NE 2.62Å; D534-R606 IonicContact OD2-NH2 3.74Å; D534-R606 PolarHBondContact OD2-NH2 2.83Å
535M95.8Very high92.3Very high98 Ų9859.4 Ų59.448%0.48332%0.32SS..  trans-80.9102.9177.9-173.7179.2-67.500110.3N546M535-N546 HydrophobicContact CB-CB 4.03Å; M535-N546 PolarHBondContact N-O 2.82Å
536I94.7Very high92.1Very high4 Ų462 Ų622%0.02133%0.333CS..BIsolated β-bridgetrans-127.5125.3-177-58.3175.2000108.7D534 P542 A560 R606 V607D534-I536 HydrophobicContact CB-CD1 4.24Å; D534-I536 HydrophobicContact CB-CG1 4.21Å; D534-I536 PolarHBondContact O-N 2.83Å; I536-P542 HydrophobicContact CD1-CG 4.13Å; I536-P542 HydrophobicContact CG1-CB 4.05Å; I536-P542 HydrophobicContact CG1-CG 4.11Å; I536-A560 WeakPolarHBondContact O-CB 3.4Å; I536-A560 PolarHBondContact O-N 3.29Å; I536-R606 WeakPolarHBondContact CD1-O 3.4Å; I536-V607 HydrophobicContact CD1-CG2 4.29Å
537T86.3Confident92Very high127 Ų12764.3 Ų64.378%0.77934%0.344SS*.SBendtrans-109.6-30-173.749.40000114.5
538A78.8Confident92Very high73 Ų7360.2 Ų60.260%0.60333%0.334SS*.SBendtrans-139.526.8-171.800000114.3E540A538-E540 PolarHBondContact O-N 2.8Å
539G75.1Confident92Very high46 Ų4660.8 Ų60.847%0.47434%0.338SS..SBendtrans70.614.8-179.400000114.5
540E86Confident92Very high146 Ų14664.8 Ų64.868%0.68236%0.356SS*.PPolyproline II helixtrans-89.1152.3173.1-62.2-177.4170.100110.6A538 V607A538-E540 PolarHBondContact O-N 2.8Å; E540-V607 WeakPolarHBondContact O-CG2 3.11Å
541E89.8Confident92Very high99 Ų9965.8 Ų65.846%0.46336%0.363SS..PPolyproline II helixtrans-61.8132.5176.6-71.7-66.4155.800110.6S605 R606E541-S605 WeakPolarHBondContact OE1-CA 3.47Å; E541-S605 WeakPolarHBondContact OE1-CB 3.31Å; E541-S605 PolarHBondContact OE1-OG 3.12Å; E541-R606 PolarHBondContact OE1-N 2.71Å; E541-R606 PolarHBondContact OE2-N 3.38Å; E541-R606 VanDerWaalsContact OE2-N 3.14Å
542P91.1Very high92Very high12 Ų1268.6 Ų68.68%0.07838%0.375CS..PPolyproline II helixtrans-71138.1-178.928.1-33.2000111.1D534 I536 N546 Q547 R606D534-P542 HydrophobicContact CB-CB 4.33Å; D534-P542 HydrophobicContact CB-CG 4.08Å; I536-P542 HydrophobicContact CD1-CG 4.13Å; I536-P542 HydrophobicContact CG1-CB 4.05Å; I536-P542 HydrophobicContact CG1-CG 4.11Å; P542-N546 HydrophobicContact CB-CB 4.14Å; P542-Q547 HydrophobicContact CB-CG 4.2Å; P542-Q547 HydrophobicContact CG-CG 3.96Å; P542-Q547 PolarHBondContact O-NE2 2.8Å; P542-R606 HydrophobicContact CG-CB 4.01Å
543N90.1Very high92Very high122 Ų12271.4 Ų71.465%0.65240%0.395SS*.PPolyproline II helixtrans-58.7154166.3-69.7-32000110.8V545 N546 Q547N543-V545 PolarHBondContact O-N 2.67Å; N543-N546 WeakPolarHBondContact O-CA 3.48Å; N543-N546 WeakPolarHBondContact O-CB 3.3Å; N543-N546 PolarHBondContact O-N 2.85Å; N543-Q547 PolarHBondContact O-N 3.41Å
544H89.8Confident92Very high164 Ų16471.5 Ų71.576%0.75940%0.395SS*.G310 helixtrans-53.4-32-179.1-77.3-69.1000114.7N546 Q547H544-N546 VanDerWaalsContact C-N 3.27Å; H544-N546 PolarHBondContact O-N 3.39Å; H544-Q547 PolarHBondContact O-N 3.39Å
545V91.9Very high92Very high137 Ų13773.8 Ų73.883%0.8341%0.409SS*.G310 helixtrans-70.7-24.4178.1-178.30000112.4N543N543-V545 PolarHBondContact O-N 2.67Å
546N93.8Very high92Very high57 Ų5771.3 Ų71.331%0.30540%0.401SS..G310 helixtrans-942.9179.9-69.3-3.3000112.4D534 M535 P542 N543 H544D534-N546 CarbonylContact C-O 3.45Å; D534-N546 VanDerWaalsContact CA-O 3.27Å; D534-N546 WeakPolarHBondContact CA-O 3.31Å; M535-N546 HydrophobicContact CB-CB 4.03Å; M535-N546 PolarHBondContact N-O 2.82Å; P542-N546 HydrophobicContact CB-CB 4.14Å; N543-N546 WeakPolarHBondContact O-CA 3.48Å; N543-N546 WeakPolarHBondContact O-CB 3.3Å; N543-N546 PolarHBondContact O-N 2.85Å; H544-N546 VanDerWaalsContact C-N 3.27Å; H544-N546 PolarHBondContact O-N 3.39Å
547Q95Very high92.1Very high49 Ų4971.5 Ų71.523%0.22940%0.402CS..  trans-92.4135.4178.8-67.2173.418.600110.1D534 P542 N543 H544D534-Q547 WeakPolarHBondContact OD1-CA 3.43Å; P542-Q547 HydrophobicContact CB-CG 4.2Å; P542-Q547 HydrophobicContact CG-CG 3.96Å; P542-Q547 PolarHBondContact O-NE2 2.8Å; N543-Q547 PolarHBondContact O-N 3.41Å; H544-Q547 PolarHBondContact O-N 3.39Å
548V96.8Very high92.6Very high44 Ų4468.9 Ų68.927%0.26738%0.381SS..  trans-119.1123.1178.8-179.50000107.9N526 L533 D534 V551N526-V548 WeakPolarHBondContact CB-O 3.49Å; N526-V548 PolarHBondContact ND2-O 3Å; L533-V548 HydrophobicContact CB-CB 4Å; L533-V548 HydrophobicContact CB-CG1 4.11Å; L533-V548 HydrophobicContact CB-CG2 4.45Å; L533-V548 HydrophobicContact CD1-CG1 4.34Å; D534-V548 PolarHBondContact OD1-N 2.82Å; V548-V551 HydrophobicContact CG1-CG1 3.58Å
549E94.9Very high93.4Very high91 Ų9165.4 Ų65.443%0.42535%0.352SS..  trans-93.4-30-179-70.1-57.5135.100113.4N526 R606N526-E549 CarbonylContact C-O 3.59Å; N526-E549 WeakPolarHBondContact CA-O 3.39Å; N526-E549 PolarHBondContact N-O 3.39Å; E549-R606 IonicContact OE1-CZ 3.3Å; E549-R606 VanDerWaalsContact OE1-CZ 3.26Å; E549-R606 IonicContact OE1-NH1 2.74Å; E549-R606 PolarHBondContact OE1-NH1 3.48Å; E549-R606 IonicContact OE1-NH2 3.67Å; E549-R606 PolarHBondContact OE1-NH2 2.54Å
550E96.3Very high94.4Very high83 Ų8364 Ų6439%0.38834%0.335SS..EExtended strand (participates in β ladder)trans-160.1154.3176.761.1-177.4-164.300111.3G524 H552G524-E550 VanDerWaalsContact O-CA 3.31Å; G524-E550 WeakPolarHBondContact O-CA 3.28Å; E550-H552 IonicContact OE1-NE2 2.85Å
551V97.5Very high94.7Very high24 Ų2458.5 Ų58.515%0.14531%0.313CS..EExtended strand (participates in β ladder)trans-140.5141.5170.9-59.10000110A522 C523 G524 L533 V548A522-V551 WeakPolarHBondContact O-CG2 3.31Å; C523-V551 HydrophobicContact CB-CG2 4.38Å; G524-V551 PolarHBondContact N-O 3.41Å; G524-V551 PolarHBondContact O-N 3.29Å; G524-V551 VanDerWaalsContact O-N 3.16Å; L533-V551 HydrophobicContact CD1-CB 4.37Å; L533-V551 HydrophobicContact CD1-CG1 3.91Å; L533-V551 HydrophobicContact CD1-CG2 3.54Å; V548-V551 HydrophobicContact CG1-CG1 3.58Å
552H97.5Very high95Very high58 Ų5853.9 Ų53.927%0.26929%0.291SS..EExtended strand (participates in β ladder)trans-98.4-8.7-175.4-53.4147.9000114.4G480 L481 G482 Q484 E550G480-H552 CarbonylContact C-O 3.5Å; G480-H552 WeakPolarHBondContact CA-O 3.29Å; L481-H552 PolarHBondContact N-O 3.31Å; G482-H552 WeakPolarHBondContact CA-O 3.45Å; G482-H552 PolarHBondContact N-O 3.07Å; Q484-H552 PolarHBondContact NE2-CE1 2.73Å; Q484-H552 VanDerWaalsContact NE2-CE1 3.33Å; Q484-H552 PolarHBondContact NE2-NE2 2.74Å; E550-H552 IonicContact OE1-NE2 2.85Å
553S96.8Very high95.1Very high59 Ų5956.3 Ų56.341%0.41330%0.303SS..EExtended strand (participates in β ladder)trans-123.9151.2174.9-59.30000109G482 T555G482-S553 WeakPolarHBondContact CA-OG 3.48Å; S553-T555 PolarHBondContact O-N 3.29Å; S553-T555 PolarHBondContact O-OG1 2.84Å
554Y97.1Very high95.2Very high8 Ų854.9 Ų54.93%0.03130%0.303CS..EExtended strand (participates in β ladder)trans-58.4114.3177.2-80.3-83.7000110.7V493 L495 S511 V513 L521 C523V493-Y554 HydrophobicContact CG1-CD2 3.41Å; V493-Y554 VanDerWaalsContact CG1-CD2 3.41Å; V493-Y554 HydrophobicContact CG1-CE2 3.54Å; V493-Y554 HydrophobicContact CG2-CE2 4.47Å; L495-Y554 HydrophobicContact CD2-CD2 3.96Å; L495-Y554 HydrophobicContact CD2-CG 3.82Å; S511-Y554 VanDerWaalsContact CB-OH 3.26Å; S511-Y554 WeakPolarHBondContact CB-OH 3.21Å; V513-Y554 HydrophobicContact CB-CD1 4.33Å; V513-Y554 HydrophobicContact CB-CE1 4.22Å; V513-Y554 HydrophobicContact CG2-CD1 3.88Å; V513-Y554 HydrophobicContact CG2-CE1 3.44Å; V513-Y554 VanDerWaalsContact CG2-CE1 3.44Å; L521-Y554 HydrophobicContact CB-CD1 4.08Å; C523-Y554 HydrophobicContact CB-CD1 4.31Å; C523-Y554 HydrophobicContact CB-CD2 4.5Å; C523-Y554 HydrophobicContact CB-CE1 4.47Å; C523-Y554 HydrophobicContact CB-CG 4.35Å
555T96.6Very high95.4Very high48 Ų4849.4 Ų49.429%0.29428%0.278SS..EExtended strand (participates in β ladder)trans-118.1134.4-175.3-57.20000109.1L521 A522 L533 S553 V557L521-T555 CarbonylContact C-O 3.55Å; L521-T555 WeakPolarHBondContact CA-O 3.46Å; A522-T555 PolarHBondContact N-O 2.61Å; A522-T555 PolarHBondContact O-N 2.88Å; L533-T555 HydrophobicContact CD2-CG2 4.28Å; S553-T555 PolarHBondContact O-N 3.29Å; S553-T555 PolarHBondContact O-OG1 2.84Å; T555-V557 PolarHBondContact O-N 3.47Å
556P96.4Very high95.5Very high47 Ų4749.8 Ų49.831%0.30526%0.264SS..EExtended strand (participates in β ladder)trans-60.4135.7177.4-24.134.2000112.5L499 L521 Q558L499-P556 HydrophobicContact CD1-CG 4.4Å; L521-P556 HydrophobicContact CD2-CG 4.4Å; P556-Q558 PolarHBondContact O-NE2 3.31Å
557V96.6Very high95.6Very high8 Ų847 Ų475%0.04825%0.25CC..  trans-58.3134174.2169.50000110.6I520 A522 L531 G532 T555 L562 N563I520-V557 HydrophobicContact CB-CB 4.19Å; I520-V557 HydrophobicContact CB-CG2 3.64Å; I520-V557 HydrophobicContact CG2-CG2 3.6Å; I520-V557 WeakPolarHBondContact O-CG2 3.14Å; I520-V557 PolarHBondContact O-N 3.46Å; A522-V557 HydrophobicContact CB-CG2 4.46Å; L531-V557 VanDerWaalsContact O-CG2 3.31Å; L531-V557 WeakPolarHBondContact O-CG2 3.34Å; G532-V557 VanDerWaalsContact O-CG1 3.23Å; G532-V557 WeakPolarHBondContact O-CG1 3.3Å; T555-V557 PolarHBondContact O-N 3.47Å; V557-L562 HydrophobicContact CG1-CB 3.77Å; V557-L562 HydrophobicContact CG1-CD1 4.36Å; V557-N563 VanDerWaalsContact O-CB 3.31Å; V557-N563 WeakPolarHBondContact O-CB 3.41Å
558Q96.1Very high95.6Very high72 Ų7246.3 Ų46.334%0.33625%0.248SC..  trans-114.2-12.3-172.6-62.8-60.6-53.600113.7G532 D534 P556 N563G532-Q558 PolarHBondContact O-N 3.26Å; D534-Q558 CarbonylContact O-C 3.55Å; D534-Q558 VanDerWaalsContact O-C 3.32Å; P556-Q558 PolarHBondContact O-NE2 3.31Å; Q558-N563 PolarHBondContact O-ND2 2.81Å
559S97.1Very high95.5Very high0 Ų047.2 Ų47.20%025%0.247CC..BIsolated β-bridgetrans-80.4123-177.3-64.30000112.1N529 G532 D534 L562 N563N529-S559 PolarHBondContact ND2-OG 2.86Å; G532-S559 VanDerWaalsContact C-OG 3.32Å; G532-S559 WeakPolarHBondContact O-CB 3.07Å; G532-S559 PolarHBondContact O-N 2.91Å; G532-S559 PolarHBondContact O-OG 3.44Å; G532-S559 VanDerWaalsContact O-OG 3.09Å; D534-S559 WeakPolarHBondContact O-CA 3.33Å; D534-S559 PolarHBondContact O-N 2.89Å; D534-S559 VanDerWaalsContact O-N 3.15Å; D534-S559 PolarHBondContact O-OG 3.05Å; S559-L562 WeakPolarHBondContact O-CA 3.29Å; S559-L562 VanDerWaalsContact O-CB 3.29Å; S559-L562 WeakPolarHBondContact O-CB 3.38Å; S559-L562 PolarHBondContact O-N 3.45Å; S559-N563 PolarHBondContact O-N 2.9Å
560A94.6Very high95.6Very high15 Ų1543.2 Ų43.212%0.12423%0.229CC..THydrogen-bonded Turntrans-67.4144.4169.400000111.8I536 N563I536-A560 WeakPolarHBondContact O-CB 3.4Å; I536-A560 PolarHBondContact O-N 3.29Å; A560-N563 VanDerWaalsContact CA-OD1 3.26Å; A560-N563 WeakPolarHBondContact CA-OD1 3.41Å
561P93.9Very high95.7Very high31 Ų3140.7 Ų40.720%0.20122%0.218CC..THydrogen-bonded Turncis-896.30.736.3-35000114N563 S564 E565 Y587P561-N563 PolarHBondContact O-N 3.36Å; P561-S564 PolarHBondContact O-N 2.74Å; P561-S564 VanDerWaalsContact O-N 3.16Å; P561-S564 PolarHBondContact O-OG 3.2Å; P561-E565 HydrophobicContact CB-CG 3.81Å; P561-E565 WeakPolarHBondContact O-CB 3.4Å; P561-E565 VanDerWaalsContact O-CG 3.24Å; P561-E565 WeakPolarHBondContact O-CG 3.46Å; P561-E565 PolarHBondContact O-N 3.11Å; P561-Y587 HydrophobicContact CG-CD1 3.9Å; P561-Y587 HydrophobicContact CG-CE1 3.31Å; P561-Y587 HydrophobicContact CG-CE2 4.31Å
562L95.1Very high95.6Very high3 Ų340 Ų402%0.01621%0.214CC..THydrogen-bonded Turntrans-65.3-25.3-174.6-53.1174.2000113.5V557 S559 I567 A579 Y587 F589 P608V557-L562 HydrophobicContact CG1-CB 3.77Å; V557-L562 HydrophobicContact CG1-CD1 4.36Å; S559-L562 WeakPolarHBondContact O-CA 3.29Å; S559-L562 VanDerWaalsContact O-CB 3.29Å; S559-L562 WeakPolarHBondContact O-CB 3.38Å; S559-L562 PolarHBondContact O-N 3.45Å; L562-I567 HydrophobicContact CD2-CD1 4.43Å; L562-A579 HydrophobicContact CD2-CB 3.8Å; L562-Y587 HydrophobicContact CD2-CG 4.27Å; L562-F589 HydrophobicContact CD1-CD1 3.65Å; L562-F589 HydrophobicContact CD1-CD2 4.1Å; L562-F589 HydrophobicContact CD1-CE1 3.57Å; L562-F589 HydrophobicContact CD1-CE2 3.99Å; L562-F589 HydrophobicContact CD1-CG 3.94Å; L562-F589 HydrophobicContact CD1-CZ 3.75Å; L562-F589 HydrophobicContact CD2-CD1 4.44Å; L562-F589 HydrophobicContact CD2-CE1 4.16Å; L562-P608 HydrophobicContact CD1-CB 4.02Å; L562-P608 HydrophobicContact CD1-CG 3.67Å; L562-P608 HydrophobicContact CG-CB 4.12Å; L562-P608 HydrophobicContact CG-CG 4.03Å
563N94.1Very high95.5Very high62 Ų6237.4 Ų37.433%0.33220%0.203SC..THydrogen-bonded Turntrans-83.3-15.5178.267.6-17.9000113.9V557 Q558 S559 A560 P561V557-N563 VanDerWaalsContact O-CB 3.31Å; V557-N563 WeakPolarHBondContact O-CB 3.41Å; Q558-N563 PolarHBondContact O-ND2 2.81Å; S559-N563 PolarHBondContact O-N 2.9Å; A560-N563 VanDerWaalsContact CA-OD1 3.26Å; A560-N563 WeakPolarHBondContact CA-OD1 3.41Å; P561-N563 PolarHBondContact O-N 3.36Å
564S92.3Very high95.4Very high92 Ų9236.7 Ų36.764%0.64320%0.196SC*.THydrogen-bonded Turntrans-114.2-28-176.959.20000113.7P561P561-S564 PolarHBondContact O-N 2.74Å; P561-S564 VanDerWaalsContact O-N 3.16Å; P561-S564 PolarHBondContact O-OG 3.2Å
565E93.5Very high95.3Very high50 Ų5037.4 Ų37.423%0.23420%0.203CC..SBendtrans-81155179.3-66.4-74.6-177.500112.6P561 I567 T581 R585P561-E565 HydrophobicContact CB-CG 3.81Å; P561-E565 WeakPolarHBondContact O-CB 3.4Å; P561-E565 VanDerWaalsContact O-CG 3.24Å; P561-E565 WeakPolarHBondContact O-CG 3.46Å; P561-E565 PolarHBondContact O-N 3.11Å; E565-I567 HydrophobicContact CB-CD1 4.05Å; E565-I567 PolarHBondContact O-N 2.98Å; E565-T581 HydrophobicContact CB-CG2 3.97Å; E565-T581 HydrophobicContact CG-CG2 4.38Å; E565-R585 IonicContact OE1-CZ 3.79Å; E565-R585 IonicContact OE1-NH1 2.78Å; E565-R585 PolarHBondContact OE1-NH1 3.19Å; E565-R585 IonicContact OE1-NH2 2.82Å; E565-R585 PolarHBondContact OE1-NH2 2.78Å; E565-R585 IonicContact OE2-CZ 2.89Å; E565-R585 IonicContact OE2-NH1 3.18Å; E565-R585 IonicContact OE2-NH2 3.5Å; E565-R585 PolarHBondContact OE2-NH2 2.77Å
566R94.7Very high95.3Very high144 Ų14435.1 Ų35.154%0.54319%0.189SC..  trans-82.3105.3173.7-69.4-179173.9-160.6-2.2110.6W518 T581 E582W518-R566 HydrophobicContact CB-CB 4.17Å; W518-R566 HydrophobicContact CB-CG 4.38Å; W518-R566 HydrophobicContact CG-CB 4.46Å; R566-T581 CarbonylContact O-C 3.55Å; R566-T581 VanDerWaalsContact O-CA 3.23Å; R566-T581 WeakPolarHBondContact O-CA 3.01Å; R566-E582 HydrophobicContact CB-CB 4.28Å; R566-E582 WeakPolarHBondContact CD-OE2 3.47Å; R566-E582 IonicContact NH1-OE2 3.78Å; R566-E582 PolarHBondContact NH1-OE2 2.82Å; R566-E582 PolarHBondContact O-N 2.88Å
567I94.9Very high95.4Very high0 Ų032.9 Ų32.90%018%0.175CC..EExtended strand (participates in β ladder)trans-92.8117.6-178.5-50.3-56000110.7W518 I520 L562 E565 Y569 V570 A579 V580 T581W518-I567 PolarHBondContact O-N 3.43Å; I520-I567 HydrophobicContact CD1-CB 4.06Å; I520-I567 HydrophobicContact CD1-CG1 3.85Å; I520-I567 HydrophobicContact CD1-CG2 3.99Å; I520-I567 HydrophobicContact CG1-CB 4.24Å; I520-I567 HydrophobicContact CG1-CG1 4.36Å; I520-I567 HydrophobicContact CG1-CG2 4.44Å; L562-I567 HydrophobicContact CD2-CD1 4.43Å; E565-I567 HydrophobicContact CB-CD1 4.05Å; E565-I567 PolarHBondContact O-N 2.98Å; I567-Y569 WeakPolarHBondContact CG2-O 3.08Å; I567-V570 HydrophobicContact CG2-CG1 3.54Å; I567-A579 HydrophobicContact CD1-CB 4.38Å; I567-A579 HydrophobicContact CG2-CB 3.91Å; I567-V580 WeakPolarHBondContact CG2-O 3.29Å; I567-T581 HydrophobicContact CD1-CG2 3.84Å
568V94.1Very high95.4Very high33 Ų3332.5 Ų32.520%0.217%0.172CC..EExtended strand (participates in β ladder)trans-97.5-20.5-176.5-60.30000113.5K503 W518 V580 E582K503-V568 PolarHBondContact NZ-O 3.09Å; W518-V568 HydrophobicContact CE3-CB 4.31Å; W518-V568 HydrophobicContact CE3-CG1 3.86Å; W518-V568 HydrophobicContact CH2-CG1 4.2Å; W518-V568 HydrophobicContact CZ3-CB 3.91Å; W518-V568 HydrophobicContact CZ3-CG1 3.66Å; V568-V580 WeakPolarHBondContact CG2-O 3.44Å; V568-V580 PolarHBondContact N-O 3.5Å; V568-E582 HydrophobicContact CG1-CB 3.77Å; V568-E582 HydrophobicContact CG1-CG 4.32Å
569Y95.2Very high95.5Very high63 Ų6329 Ų2925%0.24716%0.156CC..EExtended strand (participates in β ladder)trans-146.7140-178.1-168.2-81.2000111.1I567 D571 A579 V580 A620I567-Y569 WeakPolarHBondContact CG2-O 3.08Å; Y569-D571 HydrophobicContact CE1-CB 4.19Å; Y569-A579 CarbonylContact O-C 3.53Å; Y569-A579 WeakPolarHBondContact O-CA 3.37Å; Y569-V580 HydrophobicContact CD1-CG2 4.42Å; Y569-V580 PolarHBondContact N-O 2.83Å; Y569-V580 PolarHBondContact O-N 3.35Å; Y569-A620 WeakPolarHBondContact CE1-O 3.49Å; Y569-A620 PolarHBondContact OH-O 2.84Å; Y569-A620 VanDerWaalsContact OH-O 3.09Å
570V97.4Very high95.5Very high8 Ų829 Ų295%0.04816%0.156CC..EExtended strand (participates in β ladder)trans-140.6149.7173-61.50000109.9V505 M512 V514 I520 I567 V578 A579V505-V570 HydrophobicContact CB-CG2 4.36Å; V505-V570 HydrophobicContact CG2-CG2 3.81Å; M512-V570 HydrophobicContact SD-CG2 4.45Å; V514-V570 HydrophobicContact CG2-CG1 4.35Å; V514-V570 HydrophobicContact CG2-CG2 3.67Å; I520-V570 HydrophobicContact CD1-CG1 3.75Å; I520-V570 HydrophobicContact CG1-CG1 4.19Å; I567-V570 HydrophobicContact CG2-CG1 3.54Å; V570-V578 VanDerWaalsContact CA-O 3.27Å; V570-V578 WeakPolarHBondContact CA-O 3.34Å; V570-A579 HydrophobicContact CG1-CB 4.13Å
571D97.5Very high95.5Very high29 Ų2928.5 Ų28.516%0.15515%0.151CC..EExtended strand (participates in β ladder)trans-142.3153.7166-168.638.5000111Y569 S577 V578 A621 C622Y569-D571 HydrophobicContact CE1-CB 4.19Å; D571-S577 WeakPolarHBondContact O-CA 3.37Å; D571-S577 WeakPolarHBondContact O-CB 3.23Å; D571-V578 HydrophobicContact CB-CG1 3.83Å; D571-V578 PolarHBondContact N-O 3.2Å; D571-V578 PolarHBondContact O-N 3.25Å; D571-A621 WeakPolarHBondContact OD2-CA 3.3Å; D571-C622 PolarHBondContact OD2-N 3.04Å
572I96.9Very high95.5Very high10 Ų1032.4 Ų32.45%0.05117%0.167CC..EExtended strand (participates in β ladder)trans-125.4115.4-171.3-50.7170.1000109.9V505 M512V505-I572 HydrophobicContact CB-CD1 4.32Å; V505-I572 HydrophobicContact CG1-CD1 3.93Å; V505-I572 HydrophobicContact CG1-CG1 3.91Å; M512-I572 HydrophobicContact CB-CD1 3.88Å; M512-I572 HydrophobicContact CE-CD1 4.29Å; M512-I572 HydrophobicContact CE-CG1 4.19Å; M512-I572 HydrophobicContact CG-CD1 3.55Å; M512-I572 HydrophobicContact CG-CG1 4.28Å; M512-I572 HydrophobicContact SD-CD1 3.81Å; M512-I572 HydrophobicContact SD-CG1 3.86Å
573G94.9Very high95.4Very high3 Ų338.5 Ų38.53%0.03120%0.196CC..  trans-87.7-169.5172.100000113.1A575 H576 C622 G623G573-A575 PolarHBondContact O-N 2.86Å; G573-H576 VanDerWaalsContact CA-O 3.27Å; G573-H576 WeakPolarHBondContact CA-O 3.14Å; G573-H576 PolarHBondContact N-O 3.46Å; G573-C622 VanDerWaalsContact CA-CB 3.46Å; G573-G623 WeakPolarHBondContact CA-O 3.36Å
574T94.8Very high95.4Very high45 Ų4536 Ų3628%0.27619%0.185SC..SBendtrans-65.7-41.9179.4-580000112.3V508 K530 G623V508-T574 HydrophobicContact CG2-CG2 4.47Å; K530-T574 PolarHBondContact NZ-O 2.77Å; T574-G623 PolarHBondContact N-O 2.75Å
575A94.4Very high95.6Very high22 Ų2234.4 Ų34.418%0.18216%0.164CC..SBendtrans-132.6-0.3-171.700000114.6G573 S591G573-A575 PolarHBondContact O-N 2.86Å; A575-S591 WeakPolarHBondContact O-CB 3.21Å; A575-S591 PolarHBondContact O-N 2.99Å
576H97.1Very high95.7Very high0 Ų032.2 Ų32.20%015%0.154CC..EExtended strand (participates in β ladder)trans-149.8162179.974.4-63.9000109.1G573 F589 Q596 C622 F626 T627G573-H576 VanDerWaalsContact CA-O 3.27Å; G573-H576 WeakPolarHBondContact CA-O 3.14Å; G573-H576 PolarHBondContact N-O 3.46Å; H576-F589 CarbonylContact C-O 3.43Å; H576-F589 VanDerWaalsContact CA-O 3.27Å; H576-F589 WeakPolarHBondContact CA-O 3.43Å; H576-F589 WeakPolarHBondContact CB-O 3.15Å; H576-Q596 HydrophobicContact CB-CG 4.11Å; H576-C622 PolarHBondContact NE2-SG 2.71Å; H576-C622 VanDerWaalsContact NE2-SG 3.35Å; H576-F626 PolarHBondContact CE1-O 3.26Å; H576-F626 PolarHBondContact NE2-O 3.4Å; H576-T627 PolarHBondContact CD2-OG1 2.9Å; H576-T627 PolarHBondContact NE2-OG1 2.92Å
577S98.1Very high95.8Very high0 Ų025.8 Ų25.80%013%0.13CC..EExtended strand (participates in β ladder)trans-131.9165.3177-54.90000110.2K530 D571 T588 F589K530-S577 VanDerWaalsContact O-CB 3.23Å; K530-S577 WeakPolarHBondContact O-CB 3.34Å; K530-S577 PolarHBondContact O-OG 3.09Å; D571-S577 WeakPolarHBondContact O-CA 3.37Å; D571-S577 WeakPolarHBondContact O-CB 3.23Å; S577-T588 WeakPolarHBondContact O-CA 3.1Å; S577-F589 PolarHBondContact N-O 3.42Å; S577-F589 PolarHBondContact O-N 2.89Å
578V97.9Very high95.9Very high0 Ų025.8 Ų25.80%013%0.13CC..EExtended strand (participates in β ladder)trans-128.9142.5175.867.60000109.7V570 D571 C586 Y587 T588 A620 C622 T627V570-V578 VanDerWaalsContact CA-O 3.27Å; V570-V578 WeakPolarHBondContact CA-O 3.34Å; D571-V578 HydrophobicContact CB-CG1 3.83Å; D571-V578 PolarHBondContact N-O 3.2Å; D571-V578 PolarHBondContact O-N 3.25Å; V578-C586 VanDerWaalsContact CG2-SG 3.58Å; V578-Y587 CarbonylContact C-O 3.6Å; V578-Y587 VanDerWaalsContact CA-O 3.29Å; V578-Y587 WeakPolarHBondContact CA-O 3.43Å; V578-Y587 WeakPolarHBondContact CG2-O 3.3Å; V578-T588 HydrophobicContact CB-CG2 4.44Å; V578-T588 HydrophobicContact CG2-CG2 4.11Å; V578-A620 HydrophobicContact CB-CB 4.26Å; V578-A620 HydrophobicContact CG1-CB 3.55Å; V578-A620 HydrophobicContact CG2-CB 3.72Å; V578-C622 WeakPolarHBondContact CG1-SG 3.42Å; V578-T627 HydrophobicContact CB-CG2 4.41Å; V578-T627 HydrophobicContact CG2-CG2 4.46Å
579A97.5Very high96.1Very high0 Ų024.2 Ų24.20%012%0.121CC..EExtended strand (participates in β ladder)trans-132.5138.6174.300000109.5L562 I567 Y569 V570 Y587 F589L562-A579 HydrophobicContact CD2-CB 3.8Å; I567-A579 HydrophobicContact CD1-CB 4.38Å; I567-A579 HydrophobicContact CG2-CB 3.91Å; Y569-A579 CarbonylContact O-C 3.53Å; Y569-A579 WeakPolarHBondContact O-CA 3.37Å; V570-A579 HydrophobicContact CG1-CB 4.13Å; A579-Y587 PolarHBondContact N-O 3.09Å; A579-Y587 PolarHBondContact O-N 3.18Å; A579-F589 HydrophobicContact CB-CE1 3.83Å; A579-F589 HydrophobicContact CB-CZ 4.48Å
580V96.8Very high96.1Very high0 Ų021.2 Ų21.20%011%0.109CC..EExtended strand (participates in β ladder)trans-121.4128.4178.4-171.80000109.1I567 V568 Y569 R585 I617 A620I567-V580 WeakPolarHBondContact CG2-O 3.29Å; V568-V580 WeakPolarHBondContact CG2-O 3.44Å; V568-V580 PolarHBondContact N-O 3.5Å; Y569-V580 HydrophobicContact CD1-CG2 4.42Å; Y569-V580 PolarHBondContact N-O 2.83Å; Y569-V580 PolarHBondContact O-N 3.35Å; V580-R585 WeakPolarHBondContact CA-O 3.4Å; V580-I617 HydrophobicContact CG1-CB 4.13Å; V580-I617 HydrophobicContact CG1-CG2 4.01Å; V580-I617 VanDerWaalsContact CG1-O 3.25Å; V580-I617 WeakPolarHBondContact CG1-O 3.48Å; V580-I617 HydrophobicContact CG2-CG2 3.89Å; V580-A620 HydrophobicContact CG2-CB 4.29Å
581T95.4Very high96Very high3 Ų321 Ų212%0.01811%0.108CC..EExtended strand (participates in β ladder)trans-80164.1178.761.60000112.1E565 R566 I567 E583 G584 R585 Y587E565-T581 HydrophobicContact CB-CG2 3.97Å; E565-T581 HydrophobicContact CG-CG2 4.38Å; R566-T581 CarbonylContact O-C 3.55Å; R566-T581 VanDerWaalsContact O-CA 3.23Å; R566-T581 WeakPolarHBondContact O-CA 3.01Å; I567-T581 HydrophobicContact CD1-CG2 3.84Å; T581-E583 PolarHBondContact O-N 3.18Å; T581-G584 PolarHBondContact O-N 3.19Å; T581-R585 HydrophobicContact CG2-CB 4.31Å; T581-R585 PolarHBondContact N-O 3.48Å; T581-R585 WeakPolarHBondContact OG1-CA 3.38Å; T581-R585 VanDerWaalsContact OG1-CB 3.3Å; T581-R585 WeakPolarHBondContact OG1-CB 3.36Å; T581-R585 PolarHBondContact OG1-N 3.39Å; T581-R585 PolarHBondContact OG1-O 2.86Å; T581-Y587 HydrophobicContact CG2-CD2 3.99Å; T581-Y587 HydrophobicContact CG2-CE2 3.61Å
582E93.3Very high95.9Very high114 Ų11419.8 Ų19.853%0.53310%0.101SC..THydrogen-bonded Turntrans-55.7-30.4171.4-173.5171-152.800112.8R566 V568 G584R566-E582 HydrophobicContact CB-CB 4.28Å; R566-E582 WeakPolarHBondContact CD-OE2 3.47Å; R566-E582 IonicContact NH1-OE2 3.78Å; R566-E582 PolarHBondContact NH1-OE2 2.82Å; R566-E582 PolarHBondContact O-N 2.88Å; V568-E582 HydrophobicContact CG1-CB 3.77Å; V568-E582 HydrophobicContact CG1-CG 4.32Å; E582-G584 PolarHBondContact O-N 3.01Å
583E93.3Very high95.7Very high131 Ų13125.3 Ų25.361%0.61213%0.127SC*.THydrogen-bonded Turntrans-825.7177-61.2178.9175.700113.7T581 R585T581-E583 PolarHBondContact O-N 3.18Å; E583-R585 VanDerWaalsContact C-N 3.27Å; E583-R585 PolarHBondContact O-N 2.53Å; E583-R585 IonicContact OE1-NH2 2.65Å; E583-R585 IonicContact OE2-CZ 2.88Å; E583-R585 IonicContact OE2-NE 3.8Å; E583-R585 PolarHBondContact OE2-NE 2.72Å; E583-R585 IonicContact OE2-NH2 3.01Å; E583-R585 PolarHBondContact OE2-NH2 2.78Å
584G93.8Very high95.6Very high10 Ų1027.5 Ų27.510%0.10314%0.136CC..  trans7511.3179.800000114.8T581 E582 I617T581-G584 PolarHBondContact O-N 3.19Å; E582-G584 PolarHBondContact O-N 3.01Å; G584-I617 WeakPolarHBondContact CA-O 3.47Å; G584-I617 PolarHBondContact O-N 2.91Å; G584-I617 VanDerWaalsContact O-N 3.11Å
585R95.8Very high95.5Very high58 Ų5825.4 Ų25.422%0.21912%0.123CC..  trans-73.5131.2170.8-60.1-178.5-91.6146-6.3110.3E565 V580 T581 E583 Y587E565-R585 IonicContact OE1-CZ 3.79Å; E565-R585 IonicContact OE1-NH1 2.78Å; E565-R585 PolarHBondContact OE1-NH1 3.19Å; E565-R585 IonicContact OE1-NH2 2.82Å; E565-R585 PolarHBondContact OE1-NH2 2.78Å; E565-R585 IonicContact OE2-CZ 2.89Å; E565-R585 IonicContact OE2-NH1 3.18Å; E565-R585 IonicContact OE2-NH2 3.5Å; E565-R585 PolarHBondContact OE2-NH2 2.77Å; V580-R585 WeakPolarHBondContact CA-O 3.4Å; T581-R585 HydrophobicContact CG2-CB 4.31Å; T581-R585 PolarHBondContact N-O 3.48Å; T581-R585 WeakPolarHBondContact OG1-CA 3.38Å; T581-R585 VanDerWaalsContact OG1-CB 3.3Å; T581-R585 WeakPolarHBondContact OG1-CB 3.36Å; T581-R585 PolarHBondContact OG1-N 3.39Å; T581-R585 PolarHBondContact OG1-O 2.86Å; E583-R585 VanDerWaalsContact C-N 3.27Å; E583-R585 PolarHBondContact O-N 2.53Å; E583-R585 IonicContact OE1-NH2 2.65Å; E583-R585 IonicContact OE2-CZ 2.88Å; E583-R585 IonicContact OE2-NE 3.8Å; E583-R585 PolarHBondContact OE2-NE 2.72Å; E583-R585 IonicContact OE2-NH2 3.01Å; E583-R585 PolarHBondContact OE2-NH2 2.78Å; R585-Y587 HydrophobicContact CB-CE2 3.84Å; R585-Y587 PolarHBondContact NH1-OH 3.2Å
586C96.7Very high95.5Very high3 Ų324.5 Ų24.52%0.0212%0.115CC..EExtended strand (participates in β ladder)trans-102.3124.2179.8-177.50000110.9V578 V611 L614 I617V578-C586 VanDerWaalsContact CG2-SG 3.58Å; C586-V611 HydrophobicContact CB-CB 4.46Å; C586-V611 PolarHBondContact O-N 3.43Å; C586-L614 HydrophobicContact CB-CD1 4.21Å; C586-I617 HydrophobicContact CB-CB 4.37Å; C586-I617 HydrophobicContact CB-CG1 4.07Å; C586-I617 HydrophobicContact CB-CG2 4.46Å
587Y96.8Very high95.3Very high9 Ų924.7 Ų24.74%0.03512%0.116CC..EExtended strand (participates in β ladder)trans-115133.2176.1-67.7-87.6000110.4P561 L562 V578 A579 T581 R585 Y609 Q610P561-Y587 HydrophobicContact CG-CD1 3.9Å; P561-Y587 HydrophobicContact CG-CE1 3.31Å; P561-Y587 HydrophobicContact CG-CE2 4.31Å; L562-Y587 HydrophobicContact CD2-CG 4.27Å; V578-Y587 CarbonylContact C-O 3.6Å; V578-Y587 VanDerWaalsContact CA-O 3.29Å; V578-Y587 WeakPolarHBondContact CA-O 3.43Å; V578-Y587 WeakPolarHBondContact CG2-O 3.3Å; A579-Y587 PolarHBondContact N-O 3.09Å; A579-Y587 PolarHBondContact O-N 3.18Å; T581-Y587 HydrophobicContact CG2-CD2 3.99Å; T581-Y587 HydrophobicContact CG2-CE2 3.61Å; R585-Y587 HydrophobicContact CB-CE2 3.84Å; R585-Y587 PolarHBondContact NH1-OH 3.2Å; Y587-Y609 CarbonylContact C-O 3.46Å; Y587-Y609 VanDerWaalsContact CA-O 3.29Å; Y587-Y609 WeakPolarHBondContact CA-O 3.39Å; Y587-Q610 HydrophobicContact CD1-CB 3.88Å; Y587-Q610 HydrophobicContact CD1-CG 4.39Å; Y587-Q610 HydrophobicContact CE1-CB 3.48Å; Y587-Q610 VanDerWaalsContact CE1-CB 3.48Å; Y587-Q610 HydrophobicContact CE1-CG 3.87Å; Y587-Q610 PolarHBondContact OH-OE1 2.91Å
588T97.3Very high95Very high0 Ų024.9 Ų24.90%012%0.118CC..EExtended strand (participates in β ladder)trans-116.9142.8171.751.70000109.9S577 V578 M597 Y609 V611 T627 W640S577-T588 WeakPolarHBondContact O-CA 3.1Å; V578-T588 HydrophobicContact CB-CG2 4.44Å; V578-T588 HydrophobicContact CG2-CG2 4.11Å; T588-M597 VanDerWaalsContact C-SD 3.52Å; T588-M597 WeakPolarHBondContact O-CE 3.47Å; T588-M597 VanDerWaalsContact OG1-CA 3.3Å; T588-M597 WeakPolarHBondContact OG1-CA 2.96Å; T588-M597 PolarHBondContact OG1-O 3.37Å; T588-Y609 PolarHBondContact N-O 3.49Å; T588-Y609 PolarHBondContact O-N 3.14Å; T588-V611 HydrophobicContact CG2-CG2 3.72Å; T588-T627 HydrophobicContact CG2-CG2 4.31Å; T588-W640 HydrophobicContact CG2-CZ2 3.93Å
589F96.9Very high94.5Very high1 Ų125.7 Ų25.70%0.00412%0.124CC..EExtended strand (participates in β ladder)trans-149.5148.7-178.249.7-77.7000111.4M512 N529 K530 L562 H576 S577 A579 M597 P608M512-F589 HydrophobicContact CE-CE2 4.11Å; M512-F589 HydrophobicContact CE-CZ 4.28Å; N529-F589 WeakPolarHBondContact O-CD2 3.16Å; K530-F589 WeakPolarHBondContact O-CD2 3.46Å; K530-F589 WeakPolarHBondContact O-CE2 3.46Å; L562-F589 HydrophobicContact CD1-CD1 3.65Å; L562-F589 HydrophobicContact CD1-CD2 4.1Å; L562-F589 HydrophobicContact CD1-CE1 3.57Å; L562-F589 HydrophobicContact CD1-CE2 3.99Å; L562-F589 HydrophobicContact CD1-CG 3.94Å; L562-F589 HydrophobicContact CD1-CZ 3.75Å; L562-F589 HydrophobicContact CD2-CD1 4.44Å; L562-F589 HydrophobicContact CD2-CE1 4.16Å; H576-F589 CarbonylContact C-O 3.43Å; H576-F589 VanDerWaalsContact CA-O 3.27Å; H576-F589 WeakPolarHBondContact CA-O 3.43Å; H576-F589 WeakPolarHBondContact CB-O 3.15Å; S577-F589 PolarHBondContact N-O 3.42Å; S577-F589 PolarHBondContact O-N 2.89Å; A579-F589 HydrophobicContact CB-CE1 3.83Å; A579-F589 HydrophobicContact CB-CZ 4.48Å; F589-M597 WeakPolarHBondContact CA-SD 3.3Å; F589-M597 PolarHBondContact N-SD 2.93Å; F589-P608 HydrophobicContact CB-CB 4.08Å; F589-P608 HydrophobicContact CB-CG 4.18Å
590G96.1Very high93.8Very high0 Ų031 Ų310%016%0.16CC..EExtended strand (participates in β ladder)trans118.7-150.9-173.400000113.4F528F528-G590 VanDerWaalsContact O-CA 3.25Å; F528-G590 WeakPolarHBondContact O-CA 3.49Å
591S95.1Very high93.2Very high3 Ų333.1 Ų33.12%0.02118%0.175CC..  trans-66.6140.6-179.5-178.60000112.2A575 Q596A575-S591 WeakPolarHBondContact O-CB 3.21Å; A575-S591 PolarHBondContact O-N 2.99Å; S591-Q596 WeakPolarHBondContact O-CG 3.4Å; S591-Q596 PolarHBondContact O-NE2 3.27Å; S591-Q596 VanDerWaalsContact O-NE2 3.14Å
592N94.4Very high92.6Very high3 Ų339 Ų392%0.01620%0.197CC..  trans-120.819.4176.3-162.524.7000113.9H594 G595 Q596 M597 C599 S601 R603N592-H594 PolarHBondContact O-N 2.92Å; N592-G595 PolarHBondContact O-N 2.81Å; N592-G595 VanDerWaalsContact O-N 3.13Å; N592-G595 VanDerWaalsContact OD1-C 3.31Å; N592-G595 WeakPolarHBondContact OD1-CA 3.37Å; N592-Q596 VanDerWaalsContact C-OE1 3.31Å; N592-Q596 PolarHBondContact OD1-N 2.84Å; N592-M597 HydrophobicContact CB-CB 4.26Å; N592-M597 HydrophobicContact CB-CG 3.52Å; N592-M597 VanDerWaalsContact CG-CG 3.44Å; N592-M597 WeakPolarHBondContact OD1-CB 3.46Å; N592-M597 WeakPolarHBondContact OD1-CG 3.26Å; N592-M597 PolarHBondContact OD1-N 2.84Å; N592-C599 PolarHBondContact ND2-SG 3.35Å; N592-S601 PolarHBondContact ND2-O 2.83Å; N592-R603 PolarHBondContact ND2-O 3.5Å
593Q92.9Very high92.1Very high126 Ų12643.4 Ų43.459%0.58921%0.209SC*.THydrogen-bonded Turntrans-58.5-23.3-173.8-69.3177.8-1.500113.9
594H92.8Very high91.7Very high50 Ų5041.2 Ų41.223%0.23121%0.208CC..THydrogen-bonded Turntrans-120.511.6-179-61.5-62.5000113.4N592 A625 G641 K642N592-H594 PolarHBondContact O-N 2.92Å; H594-A625 HydrophobicContact CB-CB 4.21Å; H594-G641 CarbonylContact O-C 3.6Å; H594-G641 WeakPolarHBondContact O-CA 3.41Å; H594-K642 HydrophobicContact CB-CB 3.8Å; H594-K642 HydrophobicContact CB-CG 4.42Å; H594-K642 PolarHBondContact O-N 3.08Å
595G93.2Very high91.6Very high0 Ų042.4 Ų42.40%022%0.215CC..SBendtrans80.515.2-178.700000114.5N592 M597 G598 G656N592-G595 PolarHBondContact O-N 2.81Å; N592-G595 VanDerWaalsContact O-N 3.13Å; N592-G595 VanDerWaalsContact OD1-C 3.31Å; N592-G595 WeakPolarHBondContact OD1-CA 3.37Å; G595-M597 PolarHBondContact O-N 3.39Å; G595-M597 VanDerWaalsContact O-N 3.12Å; G595-G598 PolarHBondContact O-N 2.97Å; G595-G656 WeakPolarHBondContact O-CA 3.33Å
596Q94.3Very high91.5Very high3 Ų341.1 Ų41.11%0.01421%0.21CC..THydrogen-bonded Turntrans-65.9-8.4-179.961.2-97.460.200114H576 S591 N592 G598 T627 W640H576-Q596 HydrophobicContact CB-CG 4.11Å; S591-Q596 WeakPolarHBondContact O-CG 3.4Å; S591-Q596 PolarHBondContact O-NE2 3.27Å; S591-Q596 VanDerWaalsContact O-NE2 3.14Å; N592-Q596 VanDerWaalsContact C-OE1 3.31Å; N592-Q596 PolarHBondContact OD1-N 2.84Å; Q596-G598 VanDerWaalsContact C-N 3.29Å; Q596-G598 PolarHBondContact O-N 3.14Å; Q596-T627 PolarHBondContact O-OG1 3.34Å; Q596-W640 PolarHBondContact O-NE1 3.12Å
597M93.4Very high91.4Very high4 Ų441.7 Ų41.72%0.0221%0.213CC..THydrogen-bonded Turntrans-81-4.7173.6-64-75.4-76.800113.6T588 F589 N592 G595 C599 Y609T588-M597 VanDerWaalsContact C-SD 3.52Å; T588-M597 WeakPolarHBondContact O-CE 3.47Å; T588-M597 VanDerWaalsContact OG1-CA 3.3Å; T588-M597 WeakPolarHBondContact OG1-CA 2.96Å; T588-M597 PolarHBondContact OG1-O 3.37Å; F589-M597 WeakPolarHBondContact CA-SD 3.3Å; F589-M597 PolarHBondContact N-SD 2.93Å; N592-M597 HydrophobicContact CB-CB 4.26Å; N592-M597 HydrophobicContact CB-CG 3.52Å; N592-M597 VanDerWaalsContact CG-CG 3.44Å; N592-M597 WeakPolarHBondContact OD1-CB 3.46Å; N592-M597 WeakPolarHBondContact OD1-CG 3.26Å; N592-M597 PolarHBondContact OD1-N 2.84Å; G595-M597 PolarHBondContact O-N 3.39Å; G595-M597 VanDerWaalsContact O-N 3.12Å; M597-C599 VanDerWaalsContact C-N 3.26Å; M597-C599 PolarHBondContact O-N 2.94Å; M597-Y609 WeakPolarHBondContact O-CD1 3.35Å
598G91.2Very high91.4Very high4 Ų441.8 Ų41.84%0.04122%0.215CC..SBendtrans73.516.4176.100000114.3G595 Q596 G656G595-G598 PolarHBondContact O-N 2.97Å; Q596-G598 VanDerWaalsContact C-N 3.29Å; Q596-G598 PolarHBondContact O-N 3.14Å; G598-G656 CarbonylContact C-O 3.55Å; G598-G656 WeakPolarHBondContact CA-O 3.46Å
599C87.1Confident91.3Very high18 Ų1845.2 Ų45.212%0.12223%0.229CC..SBendtrans-104.6152.9171.765.60000111.9N592 M597 S601 Y609 G656N592-C599 PolarHBondContact ND2-SG 3.35Å; M597-C599 VanDerWaalsContact C-N 3.26Å; M597-C599 PolarHBondContact O-N 2.94Å; C599-S601 PolarHBondContact O-N 3.32Å; C599-S601 VanDerWaalsContact O-N 3.12Å; C599-S601 PolarHBondContact SG-O 3.19Å; C599-Y609 HydrophobicContact CB-CD1 4.13Å; C599-Y609 HydrophobicContact CB-CD2 4.34Å; C599-Y609 HydrophobicContact CB-CE1 3.56Å; C599-Y609 HydrophobicContact CB-CE2 3.83Å; C599-Y609 HydrophobicContact CB-CG 4.47Å; C599-Y609 VanDerWaalsContact CB-CZ 3.41Å; C599-G656 CarbonylContact C-O 3.34Å; C599-G656 PolarHBondContact N-O 2.79Å; C599-G656 CarbonylContact O-C 3.59Å
600S82.8Confident91.2Very high110 Ų11048.8 Ų48.877%0.76925%0.245SC*.SBendtrans-63.6-17.5178.457.60000113.4
601S83.8Confident91.1Very high45 Ų4549 Ų4932%0.31525%0.247SC..  trans-96.7136179.2176.90000111N592 C599 R603N592-S601 PolarHBondContact ND2-O 2.83Å; C599-S601 PolarHBondContact O-N 3.32Å; C599-S601 VanDerWaalsContact O-N 3.12Å; C599-S601 PolarHBondContact SG-O 3.19Å; S601-R603 VanDerWaalsContact C-N 3.27Å; S601-R603 WeakPolarHBondContact OG-CB 3.41Å; S601-R603 VanDerWaalsContact OG-CG 3.24Å; S601-R603 WeakPolarHBondContact OG-CG 3.23Å; S601-R603 PolarHBondContact OG-N 2.86Å
602R83.5Confident91Very high126 Ų12654.2 Ų54.248%0.47527%0.273SS..  trans-9217.9169.6-59.3-174-168.8-159.51.7112.8D654R602-D654 IonicContact CZ-OD2 3.16Å; R602-D654 IonicContact NH1-OD2 3.92Å; R602-D654 PolarHBondContact NH1-OD2 3.28Å; R602-D654 VanDerWaalsContact NH2-CB 3.29Å; R602-D654 IonicContact NH2-OD2 2.83Å
603R83.8Confident90.7Very high208 Ų20857.6 Ų57.679%0.78531%0.31SS*.  trans-65.5136.6176.2-71.1179.9-176.8-166.10.6109.2N592 S601N592-R603 PolarHBondContact ND2-O 3.5Å; S601-R603 VanDerWaalsContact C-N 3.27Å; S601-R603 WeakPolarHBondContact OG-CB 3.41Å; S601-R603 VanDerWaalsContact OG-CG 3.24Å; S601-R603 WeakPolarHBondContact OG-CG 3.23Å; S601-R603 PolarHBondContact OG-N 2.86Å
604S84.2Confident90.6Very high84 Ų8452.8 Ų52.859%0.58729%0.288SS*.  trans-68.2136.5170.7-168.70000108.8
605S91.3Very high90.1Very high35 Ų3558 Ų5825%0.24531%0.31CS..  trans-146.3139.9173.9177.30000107.8E541 V607E541-S605 WeakPolarHBondContact OE1-CA 3.47Å; E541-S605 WeakPolarHBondContact OE1-CB 3.31Å; E541-S605 PolarHBondContact OE1-OG 3.12Å; S605-V607 VanDerWaalsContact C-N 3.28Å; S605-V607 WeakPolarHBondContact OG-CB 3.35Å; S605-V607 PolarHBondContact OG-N 3.16Å; S605-V607 VanDerWaalsContact OG-N 3.16Å
606R93.8Very high90Very high32 Ų3262.9 Ų62.912%0.12134%0.336CS..SBendtrans-87.5-3.6172.6-62.1-17578137.19.4111.6N529 D534 I536 E541 P542 E549N529-R606 HydrophobicContact CB-CB 3.96Å; N529-R606 HydrophobicContact CB-CG 4.44Å; N529-R606 PolarHBondContact ND2-O 2.91Å; D534-R606 IonicContact OD1-CZ 3.95Å; D534-R606 IonicContact OD1-NH2 3.94Å; D534-R606 PolarHBondContact OD1-NH2 3.09Å; D534-R606 IonicContact OD2-CZ 3.74Å; D534-R606 IonicContact OD2-NE 3.93Å; D534-R606 PolarHBondContact OD2-NE 2.62Å; D534-R606 IonicContact OD2-NH2 3.74Å; D534-R606 PolarHBondContact OD2-NH2 2.83Å; I536-R606 WeakPolarHBondContact CD1-O 3.4Å; E541-R606 PolarHBondContact OE1-N 2.71Å; E541-R606 PolarHBondContact OE2-N 3.38Å; E541-R606 VanDerWaalsContact OE2-N 3.14Å; P542-R606 HydrophobicContact CG-CB 4.01Å; E549-R606 IonicContact OE1-CZ 3.3Å; E549-R606 VanDerWaalsContact OE1-CZ 3.26Å; E549-R606 IonicContact OE1-NH1 2.74Å; E549-R606 PolarHBondContact OE1-NH1 3.48Å; E549-R606 IonicContact OE1-NH2 3.67Å; E549-R606 PolarHBondContact OE1-NH2 2.54Å
607V94.6Very high90.1Very high15 Ų1563 Ų639%0.09134%0.337CS..SBendtrans-83.5132.4-178.5-1760000110.5I536 E540 S605 Y609I536-V607 HydrophobicContact CD1-CG2 4.29Å; E540-V607 WeakPolarHBondContact O-CG2 3.11Å; S605-V607 VanDerWaalsContact C-N 3.28Å; S605-V607 WeakPolarHBondContact OG-CB 3.35Å; S605-V607 PolarHBondContact OG-N 3.16Å; S605-V607 VanDerWaalsContact OG-N 3.16Å; V607-Y609 PolarHBondContact O-N 2.88Å
608P95.9Very high90.1Very high11 Ų1166.3 Ų66.37%0.07136%0.357CS..  trans-57.6129.4170.2-24.134000112.4L562 F589L562-P608 HydrophobicContact CD1-CB 4.02Å; L562-P608 HydrophobicContact CD1-CG 3.67Å; L562-P608 HydrophobicContact CG-CB 4.12Å; L562-P608 HydrophobicContact CG-CG 4.03Å; F589-P608 HydrophobicContact CB-CB 4.08Å; F589-P608 HydrophobicContact CB-CG 4.18Å
609Y95.2Very high90.3Very high72 Ų7267.2 Ų67.228%0.28236%0.363SS..EExtended strand (participates in β ladder)trans-105.5128.6-177.7178.7-99.4000110.8Y587 T588 M597 C599 V607 V611Y587-Y609 CarbonylContact C-O 3.46Å; Y587-Y609 VanDerWaalsContact CA-O 3.29Å; Y587-Y609 WeakPolarHBondContact CA-O 3.39Å; T588-Y609 PolarHBondContact N-O 3.49Å; T588-Y609 PolarHBondContact O-N 3.14Å; M597-Y609 WeakPolarHBondContact O-CD1 3.35Å; C599-Y609 HydrophobicContact CB-CD1 4.13Å; C599-Y609 HydrophobicContact CB-CD2 4.34Å; C599-Y609 HydrophobicContact CB-CE1 3.56Å; C599-Y609 HydrophobicContact CB-CE2 3.83Å; C599-Y609 HydrophobicContact CB-CG 4.47Å; C599-Y609 VanDerWaalsContact CB-CZ 3.41Å; V607-Y609 PolarHBondContact O-N 2.88Å; Y609-V611 HydrophobicContact CD1-CG2 4.33Å; Y609-V611 PolarHBondContact O-N 2.78Å
610Q95.1Very high90.7Very high75 Ų7566.4 Ų66.435%0.3536%0.357SS..EExtended strand (participates in β ladder)trans-77118.1169.8-169.9175.9-30.900109.9Y587 L612Y587-Q610 HydrophobicContact CD1-CB 3.88Å; Y587-Q610 HydrophobicContact CD1-CG 4.39Å; Y587-Q610 HydrophobicContact CE1-CB 3.48Å; Y587-Q610 VanDerWaalsContact CE1-CB 3.48Å; Y587-Q610 HydrophobicContact CE1-CG 3.87Å; Y587-Q610 PolarHBondContact OH-OE1 2.91Å; Q610-L612 PolarHBondContact O-N 3.48Å
611V95.4Very high91.4Very high6 Ų661.2 Ų61.24%0.03632%0.321CS..  trans-72.1113.8179.4-174.90000109.7C586 T588 Y609 L614 W640 P658C586-V611 HydrophobicContact CB-CB 4.46Å; C586-V611 PolarHBondContact O-N 3.43Å; T588-V611 HydrophobicContact CG2-CG2 3.72Å; Y609-V611 HydrophobicContact CD1-CG2 4.33Å; Y609-V611 PolarHBondContact O-N 2.78Å; V611-L614 HydrophobicContact CB-CD1 4.09Å; V611-L614 HydrophobicContact CG1-CD1 3.58Å; V611-L614 HydrophobicContact CG1-CG 4.03Å; V611-W640 HydrophobicContact CG1-CZ2 4.32Å; V611-W640 HydrophobicContact CG2-CZ2 4.1Å; V611-P658 HydrophobicContact CG1-CG 3.24Å
612L93Very high92Very high111 Ų11159.2 Ų59.258%0.58131%0.307SS*.THydrogen-bonded Turntrans-82.4153.2-179.2-57-179.3000111.5Q610 L614Q610-L612 PolarHBondContact O-N 3.48Å; L612-L614 VanDerWaalsContact C-N 3.28Å; L612-L614 PolarHBondContact O-N 3.43Å
613G86.8Confident92.6Very high75 Ų7553.2 Ų53.277%0.77329%0.285SS*.THydrogen-bonded Turntrans83.10.4177.500000115
614L90.6Very high93.1Very high25 Ų2545 Ų4513%0.13126%0.256CS..  trans-97.6144.9169-63.2-177.5000110C586 V611 L612 I617 A629 Y638 W640 P658C586-L614 HydrophobicContact CB-CD1 4.21Å; V611-L614 HydrophobicContact CB-CD1 4.09Å; V611-L614 HydrophobicContact CG1-CD1 3.58Å; V611-L614 HydrophobicContact CG1-CG 4.03Å; L612-L614 VanDerWaalsContact C-N 3.28Å; L612-L614 PolarHBondContact O-N 3.43Å; L614-I617 HydrophobicContact CB-CD1 3.94Å; L614-I617 HydrophobicContact CB-CG1 3.88Å; L614-I617 HydrophobicContact CD1-CD1 4.23Å; L614-I617 HydrophobicContact CD1-CG1 4.19Å; L614-I617 HydrophobicContact CD2-CD1 4.36Å; L614-I617 HydrophobicContact CG-CD1 4.4Å; L614-A629 HydrophobicContact CD1-CB 4.06Å; L614-Y638 HydrophobicContact CD2-CD1 3.92Å; L614-Y638 HydrophobicContact CD2-CD2 3.6Å; L614-Y638 HydrophobicContact CD2-CE1 4.35Å; L614-Y638 HydrophobicContact CD2-CE2 4.02Å; L614-Y638 HydrophobicContact CD2-CG 3.54Å; L614-W640 HydrophobicContact CD1-CH2 3.86Å; L614-W640 HydrophobicContact CD1-CZ3 3.98Å; L614-P658 HydrophobicContact CD1-CB 4.41Å; L614-P658 HydrophobicContact CD1-CG 4.25Å; L614-P658 HydrophobicContact CD2-CB 3.73Å; L614-P658 HydrophobicContact CD2-CG 4.31Å; L614-P658 HydrophobicContact CG-CB 4.14Å; L614-P658 HydrophobicContact CG-CG 4.16Å
615K83.7Confident93.6Very high159 Ų15941.3 Ų41.369%0.69123%0.231SC*.  trans-129.4141.8176.8-65.1-176.5-179.9-178.90109.5I617K615-I617 VanDerWaalsContact C-N 3.33Å; K615-I617 PolarHBondContact O-N 3.25Å
616D91.3Very high93.9Very high103 Ų10339.7 Ų39.755%0.55122%0.219SC*.SBendtrans47.649.8170.6-52.6-42000113.8T618 G631 A632D616-T618 PolarHBondContact O-N 3.15Å; D616-G631 CarbonylContact O-C 3.59Å; D616-A632 HydrophobicContact CB-CB 3.8Å; D616-A632 VanDerWaalsContact O-CB 3.26Å; D616-A632 WeakPolarHBondContact O-CB 3.27Å; D616-A632 PolarHBondContact O-N 3.3Å
617I95.6Very high94Very high6 Ų638.1 Ų38.13%0.03121%0.213CC..EExtended strand (participates in β ladder)trans-69133.2-179.4-61.9-53.3000110.1V580 G584 C586 L614 K615 S619 A629 I630V580-I617 HydrophobicContact CG1-CB 4.13Å; V580-I617 HydrophobicContact CG1-CG2 4.01Å; V580-I617 VanDerWaalsContact CG1-O 3.25Å; V580-I617 WeakPolarHBondContact CG1-O 3.48Å; V580-I617 HydrophobicContact CG2-CG2 3.89Å; G584-I617 WeakPolarHBondContact CA-O 3.47Å; G584-I617 PolarHBondContact O-N 2.91Å; G584-I617 VanDerWaalsContact O-N 3.11Å; C586-I617 HydrophobicContact CB-CB 4.37Å; C586-I617 HydrophobicContact CB-CG1 4.07Å; C586-I617 HydrophobicContact CB-CG2 4.46Å; L614-I617 HydrophobicContact CB-CD1 3.94Å; L614-I617 HydrophobicContact CB-CG1 3.88Å; L614-I617 HydrophobicContact CD1-CD1 4.23Å; L614-I617 HydrophobicContact CD1-CG1 4.19Å; L614-I617 HydrophobicContact CD2-CD1 4.36Å; L614-I617 HydrophobicContact CG-CD1 4.4Å; K615-I617 VanDerWaalsContact C-N 3.33Å; K615-I617 PolarHBondContact O-N 3.25Å; I617-S619 WeakPolarHBondContact CG2-O 3.3Å; I617-A629 HydrophobicContact CD1-CB 4.05Å; I617-A629 HydrophobicContact CG1-CB 4.44Å; I617-A629 HydrophobicContact CG2-CB 4.08Å; I617-I630 WeakPolarHBondContact CA-O 3.43Å
618T93.6Very high94.1Very high73 Ų7337.4 Ų37.445%0.44821%0.209SC..EExtended strand (participates in β ladder)trans-105.5-30.9-17857.90000113.1D616 I630 A632D616-T618 PolarHBondContact O-N 3.15Å; T618-I630 PolarHBondContact N-O 3.34Å; T618-I630 PolarHBondContact OG1-O 2.81Å; T618-A632 HydrophobicContact CG2-CB 3.68Å
619S94.5Very high94.2Very high23 Ų2336.9 Ų36.916%0.16121%0.206CC..EExtended strand (participates in β ladder)trans-158.3161.2179.454.10000110.8I617 I630I617-S619 WeakPolarHBondContact CG2-O 3.3Å; S619-I630 PolarHBondContact O-N 3.2Å; S619-I630 VanDerWaalsContact OG-CD1 3.3Å; S619-I630 WeakPolarHBondContact OG-CD1 3.45Å
620A96.8Very high94.2Very high0 Ų033.8 Ų33.80%019%0.194CC..EExtended strand (participates in β ladder)trans-147.2162.9-179.600000110.4Y569 V578 V580 L628 A629Y569-A620 WeakPolarHBondContact CE1-O 3.49Å; Y569-A620 PolarHBondContact OH-O 2.84Å; Y569-A620 VanDerWaalsContact OH-O 3.09Å; V578-A620 HydrophobicContact CB-CB 4.26Å; V578-A620 HydrophobicContact CG1-CB 3.55Å; V578-A620 HydrophobicContact CG2-CB 3.72Å; V580-A620 HydrophobicContact CG2-CB 4.29Å; A620-L628 CarbonylContact C-O 3.58Å; A620-L628 WeakPolarHBondContact CA-O 3.48Å; A620-L628 VanDerWaalsContact CB-O 3.3Å; A620-L628 WeakPolarHBondContact CB-O 3.42Å; A620-A629 HydrophobicContact CB-CB 4.46Å
621A96.9Very high94.1Very high1 Ų130.5 Ų30.51%0.00818%0.18CC..EExtended strand (participates in β ladder)trans-145142.2175.100000111.2D571 L628 V674 C676D571-A621 WeakPolarHBondContact OD2-CA 3.3Å; A621-L628 PolarHBondContact N-O 2.67Å; A621-L628 PolarHBondContact O-N 2.88Å; A621-V674 HydrophobicContact CB-CG1 4.05Å; A621-V674 HydrophobicContact CB-CG2 4.14Å; A621-C676 HydrophobicContact CB-CB 3.84Å; A621-C676 VanDerWaalsContact CB-SG 3.53Å
622C97.1Very high93.6Very high3 Ų333.3 Ų33.32%0.0220%0.204CC..EExtended strand (participates in β ladder)trans-112.6131-176.2-740000111.2D571 G573 H576 V578 C676D571-C622 PolarHBondContact OD2-N 3.04Å; G573-C622 VanDerWaalsContact CA-CB 3.46Å; H576-C622 PolarHBondContact NE2-SG 2.71Å; H576-C622 VanDerWaalsContact NE2-SG 3.35Å; V578-C622 WeakPolarHBondContact CG1-SG 3.42Å; C622-C676 WeakPolarHBondContact O-CB 3.28Å
623G95.7Very high92.9Very high1 Ų130.6 Ų30.61%0.0120%0.197CC..  trans-96.6-156.7170.800000113.3G573 T574 F626 H678G573-G623 WeakPolarHBondContact CA-O 3.36Å; T574-G623 PolarHBondContact N-O 2.75Å; G623-F626 PolarHBondContact N-O 3.39Å; G623-H678 CarbonylContact C-O 3.21Å; G623-H678 WeakPolarHBondContact CA-O 3.41Å
624D94.1Very high92.3Very high36 Ų3633.1 Ų33.119%0.19319%0.189CC..SBendtrans-66.3-42.2175.460.7-7000112.8R647 H678D624-R647 WeakPolarHBondContact OD1-CD 3.14Å; D624-R647 IonicContact OD1-CZ 3.36Å; D624-R647 IonicContact OD1-NE 3.15Å; D624-R647 PolarHBondContact OD1-NE 2.96Å; D624-R647 IonicContact OD1-NH2 2.73Å; D624-R647 IonicContact OD2-CZ 3.78Å; D624-R647 IonicContact OD2-NE 2.83Å; D624-R647 PolarHBondContact OD2-NE 2.86Å; D624-R647 VanDerWaalsContact OD2-NE 3.15Å; D624-R647 IonicContact OD2-NH2 2.88Å; D624-R647 PolarHBondContact OD2-NH2 2.92Å; D624-H678 PolarHBondContact N-O 2.86Å
625A95Very high91.5Very high6 Ų633.1 Ų33.15%0.0519%0.194CC..SBendtrans-151.522.7-174.800000113H594 K642H594-A625 HydrophobicContact CB-CB 4.21Å; A625-K642 HydrophobicContact CB-CB 3.83Å; A625-K642 HydrophobicContact CB-CD 3.92Å; A625-K642 WeakPolarHBondContact O-CB 3.19Å; A625-K642 PolarHBondContact O-N 2.78Å
626F96.3Very high91.7Very high0 Ų028.5 Ų28.50%018%0.175CC..EExtended strand (participates in β ladder)trans-144.6161.4178.978-84.4000110.3H576 G623 W640 R647 L648 C676 H678 T681H576-F626 PolarHBondContact CE1-O 3.26Å; H576-F626 PolarHBondContact NE2-O 3.4Å; G623-F626 PolarHBondContact N-O 3.39Å; F626-W640 CarbonylContact C-O 3.32Å; F626-W640 VanDerWaalsContact CA-O 3.3Å; F626-W640 WeakPolarHBondContact CA-O 3.3Å; F626-W640 WeakPolarHBondContact CB-O 3.44Å; F626-R647 HydrophobicContact CD1-CB 3.78Å; F626-R647 HydrophobicContact CD1-CG 3.98Å; F626-R647 HydrophobicContact CE1-CB 4.11Å; F626-R647 HydrophobicContact CE1-CG 4.15Å; F626-R647 HydrophobicContact CG-CB 4.09Å; F626-L648 HydrophobicContact CB-CD2 4.03Å; F626-C676 HydrophobicContact CE2-CB 4.49Å; F626-C676 HydrophobicContact CZ-CB 4.13Å; F626-H678 WeakPolarHBondContact CE1-O 3.24Å; F626-T681 WeakPolarHBondContact CE2-OG1 3.21Å; F626-T681 WeakPolarHBondContact CZ-OG1 3.44Å
627T97.4Very high91.8Very high0 Ų023.6 Ų23.60%015%0.149CC..EExtended strand (participates in β ladder)trans-131.6149.3-179.9-410000109.6H576 V578 T588 Q596 T639 W640H576-T627 PolarHBondContact CD2-OG1 2.9Å; H576-T627 PolarHBondContact NE2-OG1 2.92Å; V578-T627 HydrophobicContact CB-CG2 4.41Å; V578-T627 HydrophobicContact CG2-CG2 4.46Å; T588-T627 HydrophobicContact CG2-CG2 4.31Å; Q596-T627 PolarHBondContact O-OG1 3.34Å; T627-T639 WeakPolarHBondContact O-CA 3.31Å; T627-W640 VanDerWaalsContact CB-CE2 3.45Å; T627-W640 HydrophobicContact CG2-CH2 3.83Å; T627-W640 HydrophobicContact CG2-CZ2 3.36Å; T627-W640 PolarHBondContact N-O 3.5Å; T627-W640 PolarHBondContact O-N 3.18Å; T627-W640 VanDerWaalsContact O-N 3.08Å; T627-W640 PolarHBondContact OG1-NE1 2.74Å
628L97.1Very high91.8Very high0 Ų025.2 Ų25.20%016%0.155CC..EExtended strand (participates in β ladder)trans-126.2137.7174.5-176.2157.4000109.1W322 A620 A621 I630 V637 Y638 T639 V674 T681W322-L628 HydrophobicContact CH2-CD1 4.08Å; W322-L628 HydrophobicContact CZ2-CD1 3.61Å; A620-L628 CarbonylContact C-O 3.58Å; A620-L628 WeakPolarHBondContact CA-O 3.48Å; A620-L628 VanDerWaalsContact CB-O 3.3Å; A620-L628 WeakPolarHBondContact CB-O 3.42Å; A621-L628 PolarHBondContact N-O 2.67Å; A621-L628 PolarHBondContact O-N 2.88Å; L628-I630 HydrophobicContact CD2-CD1 4.13Å; L628-I630 HydrophobicContact CD2-CG1 3.71Å; L628-V637 HydrophobicContact CD1-CG1 4.09Å; L628-V637 HydrophobicContact CD2-CG1 4.25Å; L628-V637 HydrophobicContact CG-CG1 4.13Å; L628-Y638 CarbonylContact C-O 3.55Å; L628-Y638 VanDerWaalsContact CA-O 3.23Å; L628-Y638 WeakPolarHBondContact CA-O 3.47Å; L628-T639 HydrophobicContact CB-CG2 4.13Å; L628-T639 HydrophobicContact CD1-CG2 3.99Å; L628-T639 HydrophobicContact CG-CG2 3.97Å; L628-V674 HydrophobicContact CD1-CG2 4.03Å; L628-V674 HydrophobicContact CD2-CG2 3.87Å; L628-T681 HydrophobicContact CD1-CG2 3.74Å
629A97.2Very high92Very high0 Ų021.7 Ų21.70%013%0.134CC..EExtended strand (participates in β ladder)trans-129.1149.4169.900000111.4L614 I617 A620 Y638 W640L614-A629 HydrophobicContact CD1-CB 4.06Å; I617-A629 HydrophobicContact CD1-CB 4.05Å; I617-A629 HydrophobicContact CG1-CB 4.44Å; I617-A629 HydrophobicContact CG2-CB 4.08Å; A620-A629 HydrophobicContact CB-CB 4.46Å; A629-Y638 PolarHBondContact N-O 3.12Å; A629-Y638 PolarHBondContact O-N 3.21Å; A629-W640 HydrophobicContact CB-CH2 3.69Å; A629-W640 HydrophobicContact CB-CZ3 3.77Å
630I95.9Very high92.1Very high7 Ų720.6 Ų20.64%0.03613%0.126CC..EExtended strand (participates in β ladder)trans-117.8123.4-179.4-61.4163.6000108.3I617 T618 S619 L628 E636 V671 V674 L683I617-I630 WeakPolarHBondContact CA-O 3.43Å; T618-I630 PolarHBondContact N-O 3.34Å; T618-I630 PolarHBondContact OG1-O 2.81Å; S619-I630 PolarHBondContact O-N 3.2Å; S619-I630 VanDerWaalsContact OG-CD1 3.3Å; S619-I630 WeakPolarHBondContact OG-CD1 3.45Å; L628-I630 HydrophobicContact CD2-CD1 4.13Å; L628-I630 HydrophobicContact CD2-CG1 3.71Å; I630-E636 WeakPolarHBondContact CA-O 3.25Å; I630-V671 HydrophobicContact CD1-CB 4.12Å; I630-V671 HydrophobicContact CD1-CG1 3.58Å; I630-V671 HydrophobicContact CD1-CG2 4.46Å; I630-V671 HydrophobicContact CG1-CG1 4.42Å; I630-V671 HydrophobicContact CG1-CG2 4.46Å; I630-V671 HydrophobicContact CG2-CB 3.95Å; I630-V671 HydrophobicContact CG2-CG2 3.9Å; I630-V674 HydrophobicContact CD1-CB 3.77Å; I630-V674 HydrophobicContact CD1-CG1 3.43Å; I630-V674 VanDerWaalsContact CD1-CG1 3.43Å; I630-L683 HydrophobicContact CD1-CD1 4.47Å
631G92.4Very high92Very high5 Ų520.6 Ų20.65%0.05213%0.126CC..EExtended strand (participates in β ladder)trans-76.1163.7174.900000112.4D616 A633 E636D616-G631 CarbonylContact O-C 3.59Å; G631-A633 VanDerWaalsContact C-N 3.32Å; G631-E636 PolarHBondContact N-O 3.28Å
632A84.5Confident91.8Very high66 Ų6623.1 Ų23.155%0.54514%0.137SC..SBendtrans-73.8-26.4172.300000112.3D616 T618D616-A632 HydrophobicContact CB-CB 3.8Å; D616-A632 VanDerWaalsContact O-CB 3.26Å; D616-A632 WeakPolarHBondContact O-CB 3.27Å; D616-A632 PolarHBondContact O-N 3.3Å; T618-A632 HydrophobicContact CG2-CB 3.68Å
633A78.1Confident91.6Very high53 Ų5323.2 Ų23.244%0.43814%0.138SC..SBendtrans-75.4155.5177.500000111.8G631 G635 E636G631-A633 VanDerWaalsContact C-N 3.32Å; A633-G635 PolarHBondContact O-N 2.81Å; A633-E636 HydrophobicContact CB-CG 4.1Å; A633-E636 PolarHBondContact O-N 2.87Å
634E75.8Confident91.4Very high129 Ų12925.2 Ų25.260%0.60316%0.155SC*.THydrogen-bonded Turntrans-58130.1-174.2-58.4-180170.900111.7E636 P668 L688E634-E636 VanDerWaalsContact C-N 3.26Å; E634-E636 PolarHBondContact O-N 2.98Å; E634-P668 WeakPolarHBondContact OE2-CB 3.27Å; E634-L688 HydrophobicContact CG-CD1 3.74Å; E634-L688 WeakPolarHBondContact OE1-CD1 3.34Å
635G72.9Confident91.2Very high24 Ų2432.4 Ų32.425%0.24718%0.179CC..THydrogen-bonded Turntrans68.79.2174.300000117.5A633 V637 F669A633-G635 PolarHBondContact O-N 2.81Å; G635-V637 PolarHBondContact O-N 3.02Å; G635-F669 VanDerWaalsContact CA-CE2 3.48Å; G635-F669 VanDerWaalsContact CA-CZ 3.42Å; G635-F669 PolarHBondContact N-O 3.37Å; G635-F669 VanDerWaalsContact N-O 3.07Å
636E87.3Confident91Very high62 Ų6232.2 Ų32.229%0.2918%0.178SC..  trans-81.499.3-177.5-71.2-165.7156.200112.9I630 G631 A633 E634 Y638I630-E636 WeakPolarHBondContact CA-O 3.25Å; G631-E636 PolarHBondContact N-O 3.28Å; A633-E636 HydrophobicContact CB-CG 4.1Å; A633-E636 PolarHBondContact O-N 2.87Å; E634-E636 VanDerWaalsContact C-N 3.26Å; E634-E636 PolarHBondContact O-N 2.98Å; E636-Y638 HydrophobicContact CB-CE2 3.84Å; E636-Y638 HydrophobicContact CG-CE2 4.41Å; E636-Y638 PolarHBondContact OE1-OH 3.43Å
637V94.9Very high90.9Very high1 Ų133.4 Ų33.41%0.00618%0.183CC..EExtended strand (participates in β ladder)trans-118.8120.5172.9-177.20000109.5L628 G635 P660 V661 V671 L683L628-V637 HydrophobicContact CD1-CG1 4.09Å; L628-V637 HydrophobicContact CD2-CG1 4.25Å; L628-V637 HydrophobicContact CG-CG1 4.13Å; G635-V637 PolarHBondContact O-N 3.02Å; V637-P660 CarbonylContact O-C 3.13Å; V637-P660 VanDerWaalsContact O-CA 3.26Å; V637-P660 WeakPolarHBondContact O-CA 3.41Å; V637-V661 HydrophobicContact CB-CB 4.43Å; V637-V661 HydrophobicContact CG1-CB 4.24Å; V637-V661 HydrophobicContact CG1-CG2 4.47Å; V637-V661 PolarHBondContact O-N 3.1Å; V637-V671 HydrophobicContact CG2-CG2 3.78Å; V637-L683 HydrophobicContact CG2-CD2 4.34Å
638Y95.6Very high90.8Very high39 Ų3933.4 Ų33.415%0.15318%0.183CC..EExtended strand (participates in β ladder)trans-114.5141.2179.6-59.4-87.1000111.5L614 L628 A629 E636 K659 P660L614-Y638 HydrophobicContact CD2-CD1 3.92Å; L614-Y638 HydrophobicContact CD2-CD2 3.6Å; L614-Y638 HydrophobicContact CD2-CE1 4.35Å; L614-Y638 HydrophobicContact CD2-CE2 4.02Å; L614-Y638 HydrophobicContact CD2-CG 3.54Å; L628-Y638 CarbonylContact C-O 3.55Å; L628-Y638 VanDerWaalsContact CA-O 3.23Å; L628-Y638 WeakPolarHBondContact CA-O 3.47Å; A629-Y638 PolarHBondContact N-O 3.12Å; A629-Y638 PolarHBondContact O-N 3.21Å; E636-Y638 HydrophobicContact CB-CE2 3.84Å; E636-Y638 HydrophobicContact CG-CE2 4.41Å; E636-Y638 PolarHBondContact OE1-OH 3.43Å; Y638-K659 CarbonylContact C-O 3.47Å; Y638-K659 VanDerWaalsContact CA-O 3.31Å; Y638-K659 WeakPolarHBondContact CA-O 3.34Å; Y638-P660 HydrophobicContact CD1-CB 4.35Å; Y638-P660 HydrophobicContact CE1-CB 4.26Å
639T96.5Very high90.6Very high0 Ų033.5 Ų33.50%018%0.184CC..EExtended strand (participates in β ladder)trans-134.314717459.40000112.3T627 L628 L648 R650 K659 V661T627-T639 WeakPolarHBondContact O-CA 3.31Å; L628-T639 HydrophobicContact CB-CG2 4.13Å; L628-T639 HydrophobicContact CD1-CG2 3.99Å; L628-T639 HydrophobicContact CG-CG2 3.97Å; T639-L648 PolarHBondContact OG1-O 2.81Å; T639-R650 PolarHBondContact O-NH1 2.89Å; T639-R650 PolarHBondContact O-NH2 3.12Å; T639-R650 PolarHBondContact OG1-NH1 3.04Å; T639-K659 PolarHBondContact N-O 2.98Å; T639-K659 PolarHBondContact O-N 3.08Å; T639-V661 HydrophobicContact CG2-CG2 3.53Å; T639-V661 VanDerWaalsContact OG1-CG2 3.23Å; T639-V661 WeakPolarHBondContact OG1-CG2 3.3Å
640W96.1Very high90.3Very high0 Ų035 Ų350%019%0.19CC..EExtended strand (participates in β ladder)trans-154.8168.4174.863.791.3000111.8T588 Q596 V611 L614 F626 T627 A629 L648 C655 P658T588-W640 HydrophobicContact CG2-CZ2 3.93Å; Q596-W640 PolarHBondContact O-NE1 3.12Å; V611-W640 HydrophobicContact CG1-CZ2 4.32Å; V611-W640 HydrophobicContact CG2-CZ2 4.1Å; L614-W640 HydrophobicContact CD1-CH2 3.86Å; L614-W640 HydrophobicContact CD1-CZ3 3.98Å; F626-W640 CarbonylContact C-O 3.32Å; F626-W640 VanDerWaalsContact CA-O 3.3Å; F626-W640 WeakPolarHBondContact CA-O 3.3Å; F626-W640 WeakPolarHBondContact CB-O 3.44Å; T627-W640 VanDerWaalsContact CB-CE2 3.45Å; T627-W640 HydrophobicContact CG2-CH2 3.83Å; T627-W640 HydrophobicContact CG2-CZ2 3.36Å; T627-W640 PolarHBondContact N-O 3.5Å; T627-W640 PolarHBondContact O-N 3.18Å; T627-W640 VanDerWaalsContact O-N 3.08Å; T627-W640 PolarHBondContact OG1-NE1 2.74Å; A629-W640 HydrophobicContact CB-CH2 3.69Å; A629-W640 HydrophobicContact CB-CZ3 3.77Å; W640-L648 VanDerWaalsContact C-CD2 3.44Å; W640-L648 WeakPolarHBondContact O-CD2 3.35Å; W640-C655 CarbonylContact C-O 3.4Å; W640-C655 WeakPolarHBondContact CA-O 3.41Å; W640-C655 VanDerWaalsContact CB-O 3.29Å; W640-C655 WeakPolarHBondContact CB-O 3.23Å; W640-P658 HydrophobicContact CD2-CB 4.22Å; W640-P658 HydrophobicContact CD2-CG 3.95Å; W640-P658 HydrophobicContact CE3-CB 3.6Å; W640-P658 HydrophobicContact CE3-CG 3.77Å; W640-P658 HydrophobicContact CG-CG 4.41Å; W640-P658 HydrophobicContact CZ3-CB 4.04Å; W640-P658 HydrophobicContact CZ3-CG 4.19Å
641G95.3Very high89.6Confident0 Ų044.2 Ų44.20%023%0.23CC..EExtended strand (participates in β ladder)trans104.2-143.7-173.700000112.8H594 C655H594-G641 CarbonylContact O-C 3.6Å; H594-G641 WeakPolarHBondContact O-CA 3.41Å; G641-C655 PolarHBondContact N-O 2.91Å; G641-C655 PolarHBondContact O-N 2.67Å
642K93.9Very high89Confident53 Ų5347.7 Ų47.723%0.2324%0.244CC..EExtended strand (participates in β ladder)trans-72127.8179.5-164.3175.4-169.6162.70111.2H594 A625 A644 R647 D654H594-K642 HydrophobicContact CB-CB 3.8Å; H594-K642 HydrophobicContact CB-CG 4.42Å; H594-K642 PolarHBondContact O-N 3.08Å; A625-K642 HydrophobicContact CB-CB 3.83Å; A625-K642 HydrophobicContact CB-CD 3.92Å; A625-K642 WeakPolarHBondContact O-CB 3.19Å; A625-K642 PolarHBondContact O-N 2.78Å; K642-A644 HydrophobicContact CG-CB 4.17Å; K642-R647 VanDerWaalsContact O-CB 3.24Å; K642-R647 WeakPolarHBondContact O-CB 3.39Å; K642-D654 WeakPolarHBondContact CA-OD1 3.25Å
643G91.5Very high88.5Confident5 Ų552.4 Ų52.45%0.05226%0.255CS..  trans-114.2-1.2175.900000115.3R645 G646 E653 D654G643-R645 PolarHBondContact O-N 2.94Å; G643-G646 PolarHBondContact O-N 3.14Å; G643-E653 CarbonylContact C-O 3.58Å; G643-E653 WeakPolarHBondContact CA-O 3.43Å; G643-E653 PolarHBondContact N-O 3.03Å; G643-D654 PolarHBondContact N-OD1 2.85Å
644A90.9Very high88.8Confident43 Ų4352.6 Ų52.636%0.35525%0.249SC..G310 helixtrans-44140.9164.700000111.4K642 G646 R647 E653K642-A644 HydrophobicContact CG-CB 4.17Å; A644-G646 PolarHBondContact O-N 3.22Å; A644-R647 WeakPolarHBondContact O-CG 3.47Å; A644-R647 PolarHBondContact O-NH1 3.06Å; A644-E653 PolarHBondContact N-O 3.3Å
645R90.2Very high89.3Confident187 Ų18747.1 Ų47.171%0.70622%0.224SC*.G310 helixtrans56.623.2-174.6-51.9-172.9178.5-172.4-2.5114.8G323 S324 G325 G643G323-R645 CarbonylContact C-O 3.59Å; S324-R645 PolarHBondContact N-O 2.99Å; G325-R645 PolarHBondContact N-O 3.45Å; G643-R645 PolarHBondContact O-N 2.94Å
646G91.4Very high90.1Very high3 Ų346.6 Ų46.63%0.03122%0.219CC..G310 helixtrans81.113.4170.800000116.1G323 I326 G643 A644 L648 G649G323-G646 PolarHBondContact N-O 3.47Å; I326-G646 WeakPolarHBondContact O-CA 3.33Å; G643-G646 PolarHBondContact O-N 3.14Å; A644-G646 PolarHBondContact O-N 3.22Å; G646-L648 PolarHBondContact O-N 2.88Å; G646-L648 VanDerWaalsContact O-N 3.15Å; G646-G649 PolarHBondContact O-N 3.25Å
647R94.4Very high90.3Very high24 Ų2447.9 Ų47.99%0.09123%0.227CC..THydrogen-bonded Turntrans-54.5-33.5-175.9-75.1171.9174.182.4-0.1114.2W322 D624 F626 K642 A644 G649W322-R647 VanDerWaalsContact CD1-O 3.26Å; W322-R647 PolarHBondContact NE1-O 2.91Å; W322-R647 VanDerWaalsContact NE1-O 3.1Å; D624-R647 WeakPolarHBondContact OD1-CD 3.14Å; D624-R647 IonicContact OD1-CZ 3.36Å; D624-R647 IonicContact OD1-NE 3.15Å; D624-R647 PolarHBondContact OD1-NE 2.96Å; D624-R647 IonicContact OD1-NH2 2.73Å; D624-R647 IonicContact OD2-CZ 3.78Å; D624-R647 IonicContact OD2-NE 2.83Å; D624-R647 PolarHBondContact OD2-NE 2.86Å; D624-R647 VanDerWaalsContact OD2-NE 3.15Å; D624-R647 IonicContact OD2-NH2 2.88Å; D624-R647 PolarHBondContact OD2-NH2 2.92Å; F626-R647 HydrophobicContact CD1-CB 3.78Å; F626-R647 HydrophobicContact CD1-CG 3.98Å; F626-R647 HydrophobicContact CE1-CB 4.11Å; F626-R647 HydrophobicContact CE1-CG 4.15Å; F626-R647 HydrophobicContact CG-CB 4.09Å; K642-R647 VanDerWaalsContact O-CB 3.24Å; K642-R647 WeakPolarHBondContact O-CB 3.39Å; A644-R647 WeakPolarHBondContact O-CG 3.47Å; A644-R647 PolarHBondContact O-NH1 3.06Å; R647-G649 VanDerWaalsContact C-N 3.32Å
648L94.4Very high90.3Very high0 Ų048.6 Ų48.60%023%0.232CC..THydrogen-bonded Turntrans-81.6-9.4-179.5-60.1-180000113.7F626 T639 W640 G646 R650 C655 V661F626-L648 HydrophobicContact CB-CD2 4.03Å; T639-L648 PolarHBondContact OG1-O 2.81Å; W640-L648 VanDerWaalsContact C-CD2 3.44Å; W640-L648 WeakPolarHBondContact O-CD2 3.35Å; G646-L648 PolarHBondContact O-N 2.88Å; G646-L648 VanDerWaalsContact O-N 3.15Å; L648-R650 HydrophobicContact CB-CG 3.93Å; L648-R650 PolarHBondContact O-N 3.03Å; L648-C655 HydrophobicContact CD1-CB 4.14Å; L648-V661 WeakPolarHBondContact O-CG2 3.35Å
649G92.9Very high90.2Very high3 Ų350.3 Ų50.33%0.03124%0.24CC..SBendtrans65.527.4-176.700000112.6T327 P329 G646 R647T327-G649 CarbonylContact O-C 3.41Å; P329-G649 VanDerWaalsContact CD-O 3.24Å; P329-G649 WeakPolarHBondContact CD-O 3.04Å; G646-G649 PolarHBondContact O-N 3.25Å; R647-G649 VanDerWaalsContact C-N 3.32Å
650R91.6Very high90Very high31 Ų3154.1 Ų54.112%0.11726%0.264CS..SBendtrans-148.4162.917558.1172.2-176.7-105.2-4.9110.4T327 T639 L648 E652 C655 K659T327-R650 CarbonylContact O-C 3.54Å; T327-R650 PolarHBondContact O-N 2.63Å; T327-R650 VanDerWaalsContact O-N 3.08Å; T639-R650 PolarHBondContact O-NH1 2.89Å; T639-R650 PolarHBondContact O-NH2 3.12Å; T639-R650 PolarHBondContact OG1-NH1 3.04Å; L648-R650 HydrophobicContact CB-CG 3.93Å; L648-R650 PolarHBondContact O-N 3.03Å; R650-E652 HydrophobicContact CG-CB 4.36Å; R650-E652 IonicContact CZ-OE2 3.87Å; R650-E652 IonicContact NE-OE2 3.2Å; R650-E652 PolarHBondContact NE-OE2 3.14Å; R650-E652 VanDerWaalsContact NE-OE2 3.12Å; R650-E652 IonicContact NH2-OE2 3.63Å; R650-E652 PolarHBondContact O-N 3.11Å; R650-E652 VanDerWaalsContact O-N 3.15Å; R650-C655 VanDerWaalsContact NH2-CB 3.33Å; R650-K659 VanDerWaalsContact CZ-CB 3.44Å; R650-K659 PolarHBondContact NH1-O 2.93Å
651K82Confident89.9Confident201 Ų20154.4 Ų54.487%0.87427%0.266SS*.SBendtrans-66.5-11.8-176.9-67.3-175177.3-179.80114.8
652E78.6Confident89.7Confident77 Ų7761.6 Ų61.636%0.3630%0.304SS..  trans-74.3142.4179.9-62.1-175166.800112.2R650 K659R650-E652 HydrophobicContact CG-CB 4.36Å; R650-E652 IonicContact CZ-OE2 3.87Å; R650-E652 IonicContact NE-OE2 3.2Å; R650-E652 PolarHBondContact NE-OE2 3.14Å; R650-E652 VanDerWaalsContact NE-OE2 3.12Å; R650-E652 IonicContact NH2-OE2 3.63Å; R650-E652 PolarHBondContact O-N 3.11Å; R650-E652 VanDerWaalsContact O-N 3.15Å; E652-K659 IonicContact OE1-NZ 2.83Å; E652-K659 PolarHBondContact OE1-NZ 3.36Å; E652-K659 VanDerWaalsContact OE2-CD 3.28Å; E652-K659 WeakPolarHBondContact OE2-CD 3.41Å; E652-K659 IonicContact OE2-NZ 2.71Å; E652-K659 PolarHBondContact OE2-NZ 3.09Å
653E74.9Confident89.6Confident166 Ų16660.2 Ų60.278%0.77630%0.299SS*.SBendtrans-73.6-62.7-174.3-70-165.5162.900114.3G643 A644G643-E653 CarbonylContact C-O 3.58Å; G643-E653 WeakPolarHBondContact CA-O 3.43Å; G643-E653 PolarHBondContact N-O 3.03Å; A644-E653 PolarHBondContact N-O 3.3Å
654D83.8Confident89.3Confident57 Ų5766.4 Ų66.431%0.30533%0.331SS..EExtended strand (participates in β ladder)trans-141133.6179.4-81.6-6.3000107.6R602 K642 G643R602-D654 IonicContact CZ-OD2 3.16Å; R602-D654 IonicContact NH1-OD2 3.92Å; R602-D654 PolarHBondContact NH1-OD2 3.28Å; R602-D654 VanDerWaalsContact NH2-CB 3.29Å; R602-D654 IonicContact NH2-OD2 2.83Å; K642-D654 WeakPolarHBondContact CA-OD1 3.25Å; G643-D654 PolarHBondContact N-OD1 2.85Å
655C86.8Confident89.1Confident13 Ų1366 Ų669%0.08832%0.322CS..EExtended strand (participates in β ladder)trans-141.2109-177-166.50000110.2W640 G641 L648 R650 I657 K659W640-C655 CarbonylContact C-O 3.4Å; W640-C655 WeakPolarHBondContact CA-O 3.41Å; W640-C655 VanDerWaalsContact CB-O 3.29Å; W640-C655 WeakPolarHBondContact CB-O 3.23Å; G641-C655 PolarHBondContact N-O 2.91Å; G641-C655 PolarHBondContact O-N 2.67Å; L648-C655 HydrophobicContact CD1-CB 4.14Å; R650-C655 VanDerWaalsContact NH2-CB 3.33Å; C655-I657 PolarHBondContact O-N 3.03Å; C655-I657 PolarHBondContact SG-O 2.85Å; C655-K659 VanDerWaalsContact SG-CE 3.58Å
656G88.3Confident88.5Confident13 Ų1361.6 Ų61.613%0.13432%0.319CS..EExtended strand (participates in β ladder)trans-75.5-0.3176.600000114.2G595 G598 C599G595-G656 WeakPolarHBondContact O-CA 3.33Å; G598-G656 CarbonylContact C-O 3.55Å; G598-G656 WeakPolarHBondContact CA-O 3.46Å; C599-G656 CarbonylContact C-O 3.34Å; C599-G656 PolarHBondContact N-O 2.79Å; C599-G656 CarbonylContact O-C 3.59Å
657I92Very high88.1Confident89 Ų8965.1 Ų65.146%0.45634%0.335SS..EExtended strand (participates in β ladder)trans-115135.3-178.3-58.3174000108C655 K659C655-I657 PolarHBondContact O-N 3.03Å; C655-I657 PolarHBondContact SG-O 2.85Å; I657-K659 PolarHBondContact O-N 3.12Å
658P94.4Very high87.6Confident17 Ų1767.3 Ų67.311%0.1135%0.352CS..EExtended strand (participates in β ladder)trans-55.5131.2173.7-20.829.8000111.4V611 L614 W640V611-P658 HydrophobicContact CG1-CG 3.24Å; L614-P658 HydrophobicContact CD1-CB 4.41Å; L614-P658 HydrophobicContact CD1-CG 4.25Å; L614-P658 HydrophobicContact CD2-CB 3.73Å; L614-P658 HydrophobicContact CD2-CG 4.31Å; L614-P658 HydrophobicContact CG-CB 4.14Å; L614-P658 HydrophobicContact CG-CG 4.16Å; W640-P658 HydrophobicContact CD2-CB 4.22Å; W640-P658 HydrophobicContact CD2-CG 3.95Å; W640-P658 HydrophobicContact CE3-CB 3.6Å; W640-P658 HydrophobicContact CE3-CG 3.77Å; W640-P658 HydrophobicContact CG-CG 4.41Å; W640-P658 HydrophobicContact CZ3-CB 4.04Å; W640-P658 HydrophobicContact CZ3-CG 4.19Å
659K93.6Very high87.4Confident75 Ų7568.4 Ų68.433%0.32636%0.357SS..EExtended strand (participates in β ladder)trans-140.9150.4175.2-78.5179.7-177.1178.50109.7Y638 T639 R650 E652 C655 I657Y638-K659 CarbonylContact C-O 3.47Å; Y638-K659 VanDerWaalsContact CA-O 3.31Å; Y638-K659 WeakPolarHBondContact CA-O 3.34Å; T639-K659 PolarHBondContact N-O 2.98Å; T639-K659 PolarHBondContact O-N 3.08Å; R650-K659 VanDerWaalsContact CZ-CB 3.44Å; R650-K659 PolarHBondContact NH1-O 2.93Å; E652-K659 IonicContact OE1-NZ 2.83Å; E652-K659 PolarHBondContact OE1-NZ 3.36Å; E652-K659 VanDerWaalsContact OE2-CD 3.28Å; E652-K659 WeakPolarHBondContact OE2-CD 3.41Å; E652-K659 IonicContact OE2-NZ 2.71Å; E652-K659 PolarHBondContact OE2-NZ 3.09Å; C655-K659 VanDerWaalsContact SG-CE 3.58Å; I657-K659 PolarHBondContact O-N 3.12Å
660P93.2Very high87.4Confident79 Ų7971.1 Ų71.151%0.51337%0.373SS..EExtended strand (participates in β ladder)trans-68.6151.8-176.628.2-34.9000112.2V637 Y638V637-P660 CarbonylContact O-C 3.13Å; V637-P660 VanDerWaalsContact O-CA 3.26Å; V637-P660 WeakPolarHBondContact O-CA 3.41Å; Y638-P660 HydrophobicContact CD1-CB 4.35Å; Y638-P660 HydrophobicContact CE1-CB 4.26Å
661V93.9Very high87.4Confident6 Ų670.8 Ų70.84%0.03637%0.374CS..  trans-107.3127.2170.4177.80000108.1P329 V637 T639 L648 L663P329-V661 HydrophobicContact CG-CG1 3.49Å; P329-V661 VanDerWaalsContact CG-CG1 3.49Å; V637-V661 HydrophobicContact CB-CB 4.43Å; V637-V661 HydrophobicContact CG1-CB 4.24Å; V637-V661 HydrophobicContact CG1-CG2 4.47Å; V637-V661 PolarHBondContact O-N 3.1Å; T639-V661 HydrophobicContact CG2-CG2 3.53Å; T639-V661 VanDerWaalsContact OG1-CG2 3.23Å; T639-V661 WeakPolarHBondContact OG1-CG2 3.3Å; L648-V661 WeakPolarHBondContact O-CG2 3.35Å; V661-L663 HydrophobicContact CG1-CD2 4.34Å
662L91.2Very high87.9Confident152 Ų15263.5 Ų63.580%0.79635%0.347SS*.  trans-87.1120178.5-62.2175.3000109.6
663L90.6Very high88.7Confident24 Ų2460.8 Ų60.813%0.12634%0.336CS..  trans-98.1140.5171.2-57.7-178.6000109.6Y320 P329 V661 E665 F669 L683 V685Y320-L663 HydrophobicContact CD1-CD2 4.16Å; Y320-L663 HydrophobicContact CD2-CD1 4.36Å; Y320-L663 HydrophobicContact CD2-CD2 4.35Å; Y320-L663 HydrophobicContact CE2-CD1 4.47Å; Y320-L663 HydrophobicContact CG-CD2 4.07Å; P329-L663 HydrophobicContact CB-CD2 3.58Å; P329-L663 HydrophobicContact CG-CD2 3.81Å; V661-L663 HydrophobicContact CG1-CD2 4.34Å; L663-E665 PolarHBondContact O-N 3.28Å; L663-F669 HydrophobicContact CB-CE1 4.49Å; L663-F669 HydrophobicContact CB-CZ 4.1Å; L663-F669 HydrophobicContact CD1-CE2 3.67Å; L663-F669 HydrophobicContact CD1-CZ 3.68Å; L663-F669 HydrophobicContact CG-CZ 4.25Å; L663-L683 HydrophobicContact CD1-CD2 3.42Å; L663-L683 VanDerWaalsContact CD1-CD2 3.42Å; L663-L683 HydrophobicContact CD2-CD2 4.26Å; L663-L683 HydrophobicContact CG-CD2 4.47Å; L663-V685 HydrophobicContact CD1-CG1 3.93Å
664D86.9Confident89.7Confident134 Ų13453.7 Ų53.772%0.71730%0.304SS*.  trans-79.773176.8-174.725.7000110.3Y320Y320-D664 PolarHBondContact OH-O 2.99Å
665E85.4Confident90.4Very high35 Ų3551.7 Ų51.716%0.16430%0.296CS..  trans-115.9135.4174.9-72.7-64.8178.600111S318 Y320 R331 L663 F669 V685S318-E665 WeakPolarHBondContact CB-OE1 3.34Å; S318-E665 PolarHBondContact OG-OE1 3.15Å; Y320-E665 HydrophobicContact CE2-CG 4.31Å; Y320-E665 WeakPolarHBondContact CE2-OE1 3.4Å; Y320-E665 VanDerWaalsContact OH-CD 3.26Å; Y320-E665 WeakPolarHBondContact OH-CG 3.29Å; Y320-E665 PolarHBondContact OH-OE1 2.77Å; R331-E665 IonicContact CZ-OE1 3.26Å; R331-E665 IonicContact CZ-OE2 2.67Å; R331-E665 IonicContact NH2-OE1 2.75Å; R331-E665 PolarHBondContact NH2-OE1 2.99Å; R331-E665 IonicContact NH2-OE2 3.39Å; R331-E665 PolarHBondContact NH2-OE2 3.44Å; L663-E665 PolarHBondContact O-N 3.28Å; E665-F669 HydrophobicContact CB-CD1 3.57Å; E665-F669 HydrophobicContact CB-CE1 3.81Å; E665-F669 HydrophobicContact CB-CG 4.48Å; E665-F669 HydrophobicContact CG-CD1 3.72Å; E665-F669 HydrophobicContact CG-CE1 3.99Å; E665-F669 HydrophobicContact CG-CG 4.22Å; E665-V685 HydrophobicContact CG-CG2 4.34Å; E665-V685 WeakPolarHBondContact OE1-CG2 3.34Å
666S79Confident90.8Very high94 Ų9451.9 Ų51.966%0.65730%0.297SS*.SBendtrans-88.3-8.4-178.151.80000114.1
667H81.9Confident91.1Very high77 Ų7752.4 Ų52.436%0.35630%0.298SS..SBendtrans-134.8157.2-177.5-57.682.5000109.8F669H667-F669 PolarHBondContact O-N 3.23Å
668P85.2Confident91.1Very high70 Ų7050 Ų5046%0.45529%0.285SS..  trans-53.8141.3169.4-22.733.1000111E634 P687 L688E634-P668 WeakPolarHBondContact OE2-CB 3.27Å; P668-P687 WeakPolarHBondContact O-CA 3.33Å; P668-L688 HydrophobicContact CB-CB 4.46Å; P668-L688 HydrophobicContact CB-CD1 4.48Å; P668-L688 PolarHBondContact O-N 2.86Å
669F90.1Very high91Very high23 Ų2349.4 Ų49.410%0.10128%0.282CS..EExtended strand (participates in β ladder)trans-143.1156.1-175.366.1-91.3000111.3G635 L663 E665 H667 V685 K686G635-F669 VanDerWaalsContact CA-CE2 3.48Å; G635-F669 VanDerWaalsContact CA-CZ 3.42Å; G635-F669 PolarHBondContact N-O 3.37Å; G635-F669 VanDerWaalsContact N-O 3.07Å; L663-F669 HydrophobicContact CB-CE1 4.49Å; L663-F669 HydrophobicContact CB-CZ 4.1Å; L663-F669 HydrophobicContact CD1-CE2 3.67Å; L663-F669 HydrophobicContact CD1-CZ 3.68Å; L663-F669 HydrophobicContact CG-CZ 4.25Å; E665-F669 HydrophobicContact CB-CD1 3.57Å; E665-F669 HydrophobicContact CB-CE1 3.81Å; E665-F669 HydrophobicContact CB-CG 4.48Å; E665-F669 HydrophobicContact CG-CD1 3.72Å; E665-F669 HydrophobicContact CG-CE1 3.99Å; E665-F669 HydrophobicContact CG-CG 4.22Å; H667-F669 PolarHBondContact O-N 3.23Å; F669-V685 HydrophobicContact CB-CB 4.46Å; F669-V685 HydrophobicContact CD2-CB 3.73Å; F669-V685 HydrophobicContact CD2-CG1 3.68Å; F669-V685 HydrophobicContact CD2-CG2 4.35Å; F669-V685 HydrophobicContact CE2-CB 4.38Å; F669-V685 HydrophobicContact CE2-CG1 3.85Å; F669-V685 HydrophobicContact CG-CB 4.34Å; F669-K686 CarbonylContact C-O 3.52Å; F669-K686 VanDerWaalsContact CA-O 3.26Å; F669-K686 WeakPolarHBondContact CA-O 3.17Å; F669-K686 WeakPolarHBondContact CB-O 3.33Å
670T91.4Very high91Very high61 Ų6146.4 Ų46.437%0.37427%0.27SS..EExtended strand (participates in β ladder)trans-112.1144.8167.8-171.90000109.7V685 K686 L688T670-V685 CarbonylContact O-C 3.51Å; T670-V685 VanDerWaalsContact O-CA 3.31Å; T670-V685 WeakPolarHBondContact O-CA 3.16Å; T670-K686 HydrophobicContact CG2-CB 4.26Å; T670-K686 PolarHBondContact N-O 2.98Å; T670-K686 PolarHBondContact O-N 3.22Å; T670-L688 HydrophobicContact CG2-CD2 4.22Å
671V93.3Very high91.2Very high23 Ų2342.6 Ų42.614%0.13925%0.245CC..EExtended strand (participates in β ladder)trans-74.8127.6169.3-173.30000108.4I630 V637 L683 A684 V685I630-V671 HydrophobicContact CD1-CB 4.12Å; I630-V671 HydrophobicContact CD1-CG1 3.58Å; I630-V671 HydrophobicContact CD1-CG2 4.46Å; I630-V671 HydrophobicContact CG1-CG1 4.42Å; I630-V671 HydrophobicContact CG1-CG2 4.46Å; I630-V671 HydrophobicContact CG2-CB 3.95Å; I630-V671 HydrophobicContact CG2-CG2 3.9Å; V637-V671 HydrophobicContact CG2-CG2 3.78Å; V671-L683 HydrophobicContact CG1-CD1 3.58Å; V671-L683 HydrophobicContact CG1-CG 4.06Å; V671-L683 HydrophobicContact CG2-CD1 4.41Å; V671-A684 WeakPolarHBondContact CG1-O 3.4Å; V671-V685 HydrophobicContact CG2-CG1 4.21Å
672T92.2Very high91.4Very high48 Ų4842.3 Ų42.329%0.29424%0.244SC..EExtended strand (participates in β ladder)trans-94.1-35.7177.955.50000112V339 A684 K686V339-T672 PolarHBondContact O-OG1 3.46Å; T672-A684 PolarHBondContact N-O 3.08Å; T672-A684 VanDerWaalsContact OG1-CB 3.31Å; T672-A684 WeakPolarHBondContact OG1-CB 2.73Å; T672-A684 PolarHBondContact OG1-O 3.2Å; T672-K686 HydrophobicContact CG2-CB 3.54Å; T672-K686 HydrophobicContact CG2-CD 4.44Å
673S95.3Very high91.6Very high20 Ų2035.1 Ų35.114%0.1421%0.206CC..EExtended strand (participates in β ladder)trans-161.1146-179.5-177.20000111.2V342 A684V342-S673 PolarHBondContact N-OG 3.18Å; S673-A684 PolarHBondContact N-O 3.2Å; S673-A684 PolarHBondContact O-N 3.22Å
674V96.3Very high91.8Very high17 Ų1734 Ų3410%0.10320%0.2CC..EExtended strand (participates in β ladder)trans-133.2145.2174.865.60000110A621 L628 I630 T681 L682 L683A621-V674 HydrophobicContact CB-CG1 4.05Å; A621-V674 HydrophobicContact CB-CG2 4.14Å; L628-V674 HydrophobicContact CD1-CG2 4.03Å; L628-V674 HydrophobicContact CD2-CG2 3.87Å; I630-V674 HydrophobicContact CD1-CB 3.77Å; I630-V674 HydrophobicContact CD1-CG1 3.43Å; I630-V674 VanDerWaalsContact CD1-CG1 3.43Å; V674-T681 HydrophobicContact CG2-CG2 4.26Å; V674-L682 WeakPolarHBondContact CA-O 2.98Å; V674-L683 HydrophobicContact CB-CD1 3.88Å; V674-L683 HydrophobicContact CG2-CD1 3.72Å
675A96.7Very high92.1Very high15 Ų1527.6 Ų27.612%0.12417%0.166CC..EExtended strand (participates in β ladder)trans-139.6137.4168.100000109.4V342 L344 T681 L682V342-A675 HydrophobicContact CG2-CB 4.42Å; L344-A675 HydrophobicContact CB-CB 4.1Å; L344-A675 VanDerWaalsContact CD1-O 3.3Å; L344-A675 WeakPolarHBondContact CD1-O 3.5Å; L344-A675 HydrophobicContact CG-CB 4.11Å; A675-T681 WeakPolarHBondContact O-CA 3.42Å; A675-L682 PolarHBondContact N-O 2.93Å; A675-L682 PolarHBondContact O-N 3.13Å
676C96.3Very high92.4Very high17 Ų1729.2 Ų29.212%0.11517%0.172CC..EExtended strand (participates in β ladder)trans-118.9138169.1-700000108.8A621 C622 F626 N680 T681A621-C676 HydrophobicContact CB-CB 3.84Å; A621-C676 VanDerWaalsContact CB-SG 3.53Å; C622-C676 WeakPolarHBondContact O-CB 3.28Å; F626-C676 HydrophobicContact CE2-CB 4.49Å; F626-C676 HydrophobicContact CZ-CB 4.13Å; C676-N680 WeakPolarHBondContact CA-O 3.2Å; C676-T681 PolarHBondContact SG-OG1 3.49Å; C676-T681 VanDerWaalsContact SG-OG1 3.37Å
677C94.3Very high92.7Very high24 Ų2425.4 Ų25.416%0.16215%0.145CC..EExtended strand (participates in β ladder)trans-150.9128175-171.70000109.5L344 G679 N680L344-C677 HydrophobicContact CB-CB 3.69Å; C677-G679 PolarHBondContact O-N 3.15Å; C677-N680 PolarHBondContact N-O 3Å; C677-N680 PolarHBondContact O-N 3.08Å
678H91.8Very high92.6Very high38 Ų3825 Ų2518%0.17615%0.145CC..THydrogen-bonded Turntrans49.9-124.8-170.1-59.9-72.6000110.5R346 D404 G623 D624 F626R346-H678 PolarHBondContact NH2-CE1 3.01Å; R346-H678 VanDerWaalsContact NH2-CE1 3.3Å; R346-H678 PolarHBondContact NH2-NE2 2.73Å; D404-H678 IonicContact OD1-CD2 3.85Å; D404-H678 IonicContact OD1-CE1 3.07Å; D404-H678 IonicContact OD1-NE2 3.49Å; D404-H678 PolarHBondContact OD1-NE2 2.7Å; D404-H678 IonicContact OD2-NE2 3.91Å; G623-H678 CarbonylContact C-O 3.21Å; G623-H678 WeakPolarHBondContact CA-O 3.41Å; D624-H678 PolarHBondContact N-O 2.86Å; F626-H678 WeakPolarHBondContact CE1-O 3.24Å
679G92.7Very high91.7Very high5 Ų527.6 Ų27.65%0.05215%0.149CC..THydrogen-bonded Turntrans-94.923.6178.500000114.7G323 S324 C677G323-G679 CarbonylContact C-O 3.02Å; G323-G679 WeakPolarHBondContact CA-O 3.36Å; S324-G679 PolarHBondContact N-O 3.39Å; C677-G679 PolarHBondContact O-N 3.15Å
680N94.4Very high89.7Confident12 Ų1235.3 Ų35.36%0.06419%0.186CC..EExtended strand (participates in β ladder)trans-123.2150.8-175.1-60.4-77.4000112.6S324 L344 C676 C677S324-N680 WeakPolarHBondContact CB-OD1 3.16Å; S324-N680 PolarHBondContact OG-ND2 3.15Å; S324-N680 VanDerWaalsContact OG-ND2 3.11Å; S324-N680 PolarHBondContact OG-OD1 3.41Å; L344-N680 HydrophobicContact CD1-CB 4.01Å; C676-N680 WeakPolarHBondContact CA-O 3.2Å; C677-N680 PolarHBondContact N-O 3Å; C677-N680 PolarHBondContact O-N 3.08Å
681T96.8Very high87.2Confident0 Ų038.6 Ų38.60%020%0.201CC..EExtended strand (participates in β ladder)trans-129.1143.2171.3-55.20000110.9T321 W322 F626 L628 V674 A675 C676T321-T681 VanDerWaalsContact CA-O 3.25Å; T321-T681 WeakPolarHBondContact CA-O 3.46Å; T321-T681 PolarHBondContact OG1-O 3.23Å; W322-T681 HydrophobicContact CD2-CG2 4.22Å; W322-T681 VanDerWaalsContact CE2-CB 3.44Å; W322-T681 HydrophobicContact CE3-CG2 4.4Å; W322-T681 HydrophobicContact CH2-CG2 3.53Å; W322-T681 HydrophobicContact CZ2-CG2 3.3Å; W322-T681 HydrophobicContact CZ3-CG2 4.08Å; W322-T681 PolarHBondContact N-O 3.21Å; W322-T681 PolarHBondContact NE1-OG1 3.47Å; W322-T681 PolarHBondContact O-N 3.01Å; F626-T681 WeakPolarHBondContact CE2-OG1 3.21Å; F626-T681 WeakPolarHBondContact CZ-OG1 3.44Å; L628-T681 HydrophobicContact CD1-CG2 3.74Å; V674-T681 HydrophobicContact CG2-CG2 4.26Å; A675-T681 WeakPolarHBondContact O-CA 3.42Å; C676-T681 PolarHBondContact SG-OG1 3.49Å; C676-T681 VanDerWaalsContact SG-OG1 3.37Å
682L96.8Very high84.6Confident0 Ų043.7 Ų43.70%024%0.235CC..EExtended strand (participates in β ladder)trans-131.8127171.8-170.765.1000107.4V319 Y320 L332 V342 L344 K349 W361 V674 A675V319-L682 HydrophobicContact CG1-CD1 3.51Å; V319-L682 HydrophobicContact CG1-CG 4.07Å; Y320-L682 WeakPolarHBondContact O-CA 3.44Å; L332-L682 HydrophobicContact CD1-CD1 3.63Å; V342-L682 HydrophobicContact CB-CD2 3.78Å; V342-L682 HydrophobicContact CB-CG 3.97Å; V342-L682 HydrophobicContact CG1-CD2 4.15Å; V342-L682 HydrophobicContact CG1-CG 4.18Å; V342-L682 HydrophobicContact CG2-CB 4.49Å; V342-L682 HydrophobicContact CG2-CD2 4.49Å; V342-L682 HydrophobicContact CG2-CG 4.25Å; L344-L682 HydrophobicContact CD1-CB 3.71Å; L344-L682 HydrophobicContact CD2-CB 3.64Å; L344-L682 HydrophobicContact CD2-CD2 3.79Å; L344-L682 HydrophobicContact CD2-CG 4.3Å; L344-L682 HydrophobicContact CG-CB 3.5Å; L344-L682 HydrophobicContact CG-CD2 4.2Å; K349-L682 HydrophobicContact CB-CD2 4.13Å; W361-L682 HydrophobicContact CE3-CD2 4.3Å; W361-L682 HydrophobicContact CZ3-CD2 4.12Å; V674-L682 WeakPolarHBondContact CA-O 2.98Å; A675-L682 PolarHBondContact N-O 2.93Å; A675-L682 PolarHBondContact O-N 3.13Å
683L96.5Very high82.1Confident0 Ų044.9 Ų44.90%026%0.257CS..EExtended strand (participates in β ladder)trans-133.7123.9-171.9-174.295.2000108.8V319 Y320 W322 I630 V637 L663 V671 V674 V685V319-L683 CarbonylContact C-O 3.52Å; V319-L683 VanDerWaalsContact CA-O 3.3Å; V319-L683 WeakPolarHBondContact CA-O 3.13Å; Y320-L683 PolarHBondContact N-O 3.19Å; Y320-L683 PolarHBondContact O-N 3.44Å; W322-L683 HydrophobicContact CH2-CB 3.92Å; W322-L683 HydrophobicContact CH2-CD1 4.47Å; W322-L683 HydrophobicContact CH2-CD2 4.19Å; W322-L683 HydrophobicContact CH2-CG 4.43Å; W322-L683 HydrophobicContact CZ3-CB 3.81Å; W322-L683 HydrophobicContact CZ3-CD2 4.29Å; I630-L683 HydrophobicContact CD1-CD1 4.47Å; V637-L683 HydrophobicContact CG2-CD2 4.34Å; L663-L683 HydrophobicContact CD1-CD2 3.42Å; L663-L683 VanDerWaalsContact CD1-CD2 3.42Å; L663-L683 HydrophobicContact CD2-CD2 4.26Å; L663-L683 HydrophobicContact CG-CD2 4.47Å; V671-L683 HydrophobicContact CG1-CD1 3.58Å; V671-L683 HydrophobicContact CG1-CG 4.06Å; V671-L683 HydrophobicContact CG2-CD1 4.41Å; V674-L683 HydrophobicContact CB-CD1 3.88Å; V674-L683 HydrophobicContact CG2-CD1 3.72Å; L683-V685 HydrophobicContact CD2-CG1 3.73Å; L683-V685 HydrophobicContact CG-CG1 4.26Å
684A94.9Very high79.3Confident0 Ų048.7 Ų48.70%028%0.283CS..EExtended strand (participates in β ladder)trans-101.7134.9170.700000110.1S318 V319 V339 V342 V671 T672 S673S318-A684 WeakPolarHBondContact O-CA 2.78Å; V319-A684 HydrophobicContact CG2-CB 4.17Å; V339-A684 HydrophobicContact CB-CB 4.33Å; V339-A684 HydrophobicContact CG1-CB 3.94Å; V342-A684 HydrophobicContact CG1-CB 3.74Å; V671-A684 WeakPolarHBondContact CG1-O 3.4Å; T672-A684 PolarHBondContact N-O 3.08Å; T672-A684 VanDerWaalsContact OG1-CB 3.31Å; T672-A684 WeakPolarHBondContact OG1-CB 2.73Å; T672-A684 PolarHBondContact OG1-O 3.2Å; S673-A684 PolarHBondContact N-O 3.2Å; S673-A684 PolarHBondContact O-N 3.22Å
685V93.9Very high76.3Confident0 Ų062.9 Ų62.90%034%0.335CS..EExtended strand (participates in β ladder)trans-127.8151.5177.1-58.50000110.4S317 S318 Y320 L663 E665 F669 T670 V671 L683S317-V685 WeakPolarHBondContact CA-O 3.24Å; S317-V685 WeakPolarHBondContact CB-O 3.16Å; S318-V685 PolarHBondContact N-O 2.75Å; S318-V685 PolarHBondContact O-N 2.89Å; Y320-V685 HydrophobicContact CD2-CG2 4.2Å; Y320-V685 HydrophobicContact CE2-CG2 3.8Å; L663-V685 HydrophobicContact CD1-CG1 3.93Å; E665-V685 HydrophobicContact CG-CG2 4.34Å; E665-V685 WeakPolarHBondContact OE1-CG2 3.34Å; F669-V685 HydrophobicContact CB-CB 4.46Å; F669-V685 HydrophobicContact CD2-CB 3.73Å; F669-V685 HydrophobicContact CD2-CG1 3.68Å; F669-V685 HydrophobicContact CD2-CG2 4.35Å; F669-V685 HydrophobicContact CE2-CB 4.38Å; F669-V685 HydrophobicContact CE2-CG1 3.85Å; F669-V685 HydrophobicContact CG-CB 4.34Å; T670-V685 CarbonylContact O-C 3.51Å; T670-V685 VanDerWaalsContact O-CA 3.31Å; T670-V685 WeakPolarHBondContact O-CA 3.16Å; V671-V685 HydrophobicContact CG2-CG1 4.21Å; L683-V685 HydrophobicContact CD2-CG1 3.73Å; L683-V685 HydrophobicContact CG-CG1 4.26Å
686K90.1Very high75.3Confident70 Ų7065.3 Ų65.330%0.30435%0.345SS..EExtended strand (participates in β ladder)trans-125.1129.3177.8177.6178.8176.6176.20109.8E338 F669 T670 T672E338-K686 WeakPolarHBondContact OE1-CE 3.24Å; E338-K686 IonicContact OE1-NZ 2.92Å; E338-K686 PolarHBondContact OE1-NZ 3.13Å; E338-K686 IonicContact OE2-NZ 2.76Å; F669-K686 CarbonylContact C-O 3.52Å; F669-K686 VanDerWaalsContact CA-O 3.26Å; F669-K686 WeakPolarHBondContact CA-O 3.17Å; F669-K686 WeakPolarHBondContact CB-O 3.33Å; T670-K686 HydrophobicContact CG2-CB 4.26Å; T670-K686 PolarHBondContact N-O 2.98Å; T670-K686 PolarHBondContact O-N 3.22Å; T672-K686 HydrophobicContact CG2-CB 3.54Å; T672-K686 HydrophobicContact CG2-CD 4.44Å
687P85.4Confident74.2Confident13 Ų1367.8 Ų67.88%0.08436%0.358CS..EExtended strand (participates in β ladder)trans-65.7140.7174.526.7-32.9000111P668 F689P668-P687 WeakPolarHBondContact O-CA 3.33Å; P687-F689 HydrophobicContact CB-CE2 4.17Å; P687-F689 HydrophobicContact CB-CZ 4.07Å; P687-F689 HydrophobicContact CG-CE2 3.67Å; P687-F689 HydrophobicContact CG-CZ 3.73Å
688L79.9Confident73.1Confident70 Ų7070.3 Ų70.337%0.36637%0.368SS..  trans-90.7111171.2-63.8169.6000107.4E634 P668 T670E634-L688 HydrophobicContact CG-CD1 3.74Å; E634-L688 WeakPolarHBondContact OE1-CD1 3.34Å; P668-L688 HydrophobicContact CB-CB 4.46Å; P668-L688 HydrophobicContact CB-CD1 4.48Å; P668-L688 PolarHBondContact O-N 2.86Å; T670-L688 HydrophobicContact CG2-CD2 4.22Å
689F67.7Low72Confident123 Ų12372.2 Ų72.254%0.53938%0.38SS..PPolyproline II helixtrans-93.2123.5172.9-62.3-74.5000108.6L314 P687 D691L314-F689 HydrophobicContact CD1-CE1 4.22Å; P687-F689 HydrophobicContact CB-CE2 4.17Å; P687-F689 HydrophobicContact CB-CZ 4.07Å; P687-F689 HydrophobicContact CG-CE2 3.67Å; P687-F689 HydrophobicContact CG-CZ 3.73Å; F689-D691 PolarHBondContact O-N 3.35Å
690E48.1Very low70.7Confident185 Ų18576.4 Ų76.486%0.86440%0.4SS*.PPolyproline II helixtrans-68.5121.6158.9-74.3-171.8162.700107.7P692E690-P692 VanDerWaalsContact O-CD 3.27Å; E690-P692 WeakPolarHBondContact O-CD 3.47Å
691D38.5Very low69.1Low131 Ų13180.7 Ų80.770%0.70142%0.423SS*.PPolyproline II helixtrans-63.6119.5177.1-130.7-17.8000108.6F689 G693 S694F689-D691 PolarHBondContact O-N 3.35Å; D691-G693 PolarHBondContact O-N 3.41Å; D691-S694 PolarHBondContact O-N 3.27Å; D691-S694 PolarHBondContact O-OG 3.21Å
692P38.7Very low67.2Low130 Ų13086.4 Ų86.484%0.84445%0.453SS*.THydrogen-bonded Turntrans-651.4-178.7-19.831.6000114.5E690E690-P692 VanDerWaalsContact O-CD 3.27Å; E690-P692 WeakPolarHBondContact O-CD 3.47Å
693G38.6Very low64.9Low73 Ų7393.1 Ų93.175%0.75349%0.488SS*.THydrogen-bonded Turntrans-101.210.8-176.800000115.9D691D691-G693 PolarHBondContact O-N 3.41Å
694S36.4Very low62.3Low99 Ų99100.8 Ų100.869%0.69253%0.528SS*.  trans-111.845.5-178.959.60000113.9D691D691-S694 PolarHBondContact O-N 3.27Å; D691-S694 PolarHBondContact O-OG 3.21Å
695R34.8Very low59.3Low316 Ų316110 Ų110100%1.19258%0.576SS**  trans-131.60160.5-77.1-168.7-177.6-177.73111.5

Retrieved 695 of 695 residues in 439.6 ms (Link to these results)

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