A0A087XAX8_POEFO Loading...

Tripartite motif containing 67

AlphaFold DB (A0A3B3THD9), UniProt , Accession A0A087XAX8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 731 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
1M74.2Confident84.8Confident154 Ų15472.3 Ų72.376%0.75939%0.393SS*.  0-47.70-172173.1-105.600111.7E3 E4 L5 Y133M1-E3 PolarHBondContact O-N 3.47Å; M1-E4 PolarHBondContact O-N 3.21Å; M1-L5 HydrophobicContact CG-CD1 4.21Å; M1-L5 WeakPolarHBondContact O-CG 3.39Å; M1-L5 PolarHBondContact O-N 3.28Å; M1-Y133 HydrophobicContact CB-CE2 4.41Å; M1-Y133 HydrophobicContact CG-CD2 4.2Å; M1-Y133 HydrophobicContact CG-CE2 3.84Å; M1-Y133 HydrophobicContact SD-CD2 3.67Å; M1-Y133 HydrophobicContact SD-CE2 3.59Å; M1-Y133 VanDerWaalsContact SD-CE2 3.59Å
2E81.5Confident85.1Confident72 Ų7271.7 Ų71.734%0.33640%0.398SS..  trans-59.4-45-179-163.1177.1137.600113.4E4 L5 K6 F13 Y133 R137E2-E4 VanDerWaalsContact C-N 3.29Å; E2-E4 PolarHBondContact O-N 3.44Å; E2-L5 PolarHBondContact O-N 2.84Å; E2-K6 PolarHBondContact O-N 3.05Å; E2-K6 WeakPolarHBondContact OE1-CE 3.36Å; E2-K6 IonicContact OE1-NZ 3.4Å; E2-K6 PolarHBondContact OE1-NZ 3Å; E2-F13 HydrophobicContact CG-CE1 4.44Å; E2-F13 HydrophobicContact CG-CZ 4.38Å; E2-Y133 WeakPolarHBondContact CB-OH 3.3Å; E2-Y133 HydrophobicContact CG-CE1 4.32Å; E2-R137 IonicContact OE2-NH1 3.84Å; E2-R137 PolarHBondContact OE2-NH1 3.38Å; E2-R137 VanDerWaalsContact OE2-NH1 3.12Å
3E82.6Confident85.3Confident135 Ų13568.8 Ų68.863%0.63138%0.379SS*.G310 helixtrans-60.8-35.3177.7-63.5-53.4118.200113.1M1 L5 K6M1-E3 PolarHBondContact O-N 3.47Å; E3-L5 PolarHBondContact O-N 2.98Å; E3-K6 PolarHBondContact O-N 3.3Å; E3-K6 IonicContact OE1-NZ 2.96Å; E3-K6 PolarHBondContact OE1-NZ 3.23Å
4E85.5Confident85.2Confident153 Ų15364.8 Ų64.872%0.71536%0.356SS*.G310 helixtrans-69.8-14.2176.3-62.4-62.7150.700113.6M1 E2M1-E4 PolarHBondContact O-N 3.21Å; E2-E4 VanDerWaalsContact C-N 3.29Å; E2-E4 PolarHBondContact O-N 3.44Å
5L88.6Confident85.1Confident8 Ų870 Ų704%0.04237%0.368CS..G310 helixtrans-104.4-2-178.1-62.9-179.9000113M1 E2 E3 F13 F14 L126 I129 V130 Y133M1-L5 HydrophobicContact CG-CD1 4.21Å; M1-L5 WeakPolarHBondContact O-CG 3.39Å; M1-L5 PolarHBondContact O-N 3.28Å; E2-L5 PolarHBondContact O-N 2.84Å; E3-L5 PolarHBondContact O-N 2.98Å; L5-F13 HydrophobicContact CB-CD1 3.95Å; L5-F13 HydrophobicContact CB-CE1 4.08Å; L5-F13 WeakPolarHBondContact O-CA 3.44Å; L5-F14 WeakPolarHBondContact O-CD2 3.26Å; L5-F14 PolarHBondContact O-N 2.88Å; L5-L126 HydrophobicContact CD2-CD1 3.77Å; L5-I129 HydrophobicContact CD2-CG2 3.78Å; L5-V130 HydrophobicContact CB-CG2 4.18Å; L5-V130 HydrophobicContact CD2-CG2 4.06Å; L5-Y133 HydrophobicContact CD1-CD1 3.56Å; L5-Y133 HydrophobicContact CD1-CD2 3.85Å; L5-Y133 HydrophobicContact CD1-CE1 4.06Å; L5-Y133 HydrophobicContact CD1-CE2 4.32Å; L5-Y133 HydrophobicContact CD1-CG 3.42Å; L5-Y133 VanDerWaalsContact CD1-CG 3.42Å
6K89.1Confident85Confident51 Ų5169.8 Ų69.822%0.22237%0.368CS..BIsolated β-bridgetrans-98.1141.9178.2-71.8173.1-177.91600110.7E2 E3 S12 F14E2-K6 PolarHBondContact O-N 3.05Å; E2-K6 WeakPolarHBondContact OE1-CE 3.36Å; E2-K6 IonicContact OE1-NZ 3.4Å; E2-K6 PolarHBondContact OE1-NZ 3Å; E3-K6 PolarHBondContact O-N 3.3Å; E3-K6 IonicContact OE1-NZ 2.96Å; E3-K6 PolarHBondContact OE1-NZ 3.23Å; K6-S12 WeakPolarHBondContact CA-O 3.49Å; K6-F14 VanDerWaalsContact O-CE2 3.23Å; K6-F14 WeakPolarHBondContact O-CE2 3.43Å; K6-F14 VanDerWaalsContact O-CZ 3.32Å; K6-F14 WeakPolarHBondContact O-CZ 3.43Å
7C88.6Confident85.2Confident1 Ų165.8 Ų65.81%0.00735%0.346CS..  trans-76.5128.7173.1179.80000109.8V9 C10 G11 S12 F14 C27C7-V9 PolarHBondContact O-N 2.98Å; C7-V9 VanDerWaalsContact O-N 3.08Å; C7-C10 PolarHBondContact O-N 3.13Å; C7-G11 WeakPolarHBondContact O-CA 3.32Å; C7-G11 PolarHBondContact O-N 3.26Å; C7-S12 PolarHBondContact N-O 3.2Å; C7-F14 HydrophobicContact CB-CD1 3.83Å; C7-F14 HydrophobicContact CB-CE1 3.67Å; C7-F14 HydrophobicContact CB-CZ 4.26Å; C7-C27 VanDerWaalsContact CB-SG 3.53Å
8P86.8Confident85.3Confident57 Ų5762.2 Ų62.237%0.3733%0.327SS..THydrogen-bonded Turntrans-65.2-14.7-17826-36.3000114P104 L105P8-P104 HydrophobicContact CB-CG 4.18Å; P8-P104 HydrophobicContact CG-CG 3.67Å; P8-L105 HydrophobicContact CB-CD2 3.82Å; P8-L105 HydrophobicContact CB-CG 4.09Å; P8-L105 HydrophobicContact CG-CD1 4.1Å; P8-L105 HydrophobicContact CG-CD2 4.24Å; P8-L105 HydrophobicContact CG-CG 3.95Å
9V86.2Confident85.4Confident58 Ų5861.9 Ų61.935%0.35233%0.326SS..THydrogen-bonded Turntrans-93.3-42.1-178.4-176.90000112.3C7 V26 C30 I34 P104C7-V9 PolarHBondContact O-N 2.98Å; C7-V9 VanDerWaalsContact O-N 3.08Å; V9-V26 HydrophobicContact CG2-CG1 4.05Å; V9-C30 HydrophobicContact CB-CB 3.77Å; V9-C30 HydrophobicContact CG1-CB 3.8Å; V9-C30 HydrophobicContact CG2-CB 4.25Å; V9-I34 HydrophobicContact CG1-CG2 4.06Å; V9-I34 HydrophobicContact CG2-CD1 4.19Å; V9-P104 HydrophobicContact CG2-CG 3.96Å
10C86.1Confident85.5Confident57 Ų5759.3 Ų59.339%0.38531%0.312SS..THydrogen-bonded Turntrans-107.4-1.7-177.767.10000114.4C7 S12C7-C10 PolarHBondContact O-N 3.13Å; C10-S12 PolarHBondContact O-N 3.04Å; C10-S12 PolarHBondContact O-OG 3.13Å
11G84.1Confident85.4Confident49 Ų4960.4 Ų60.451%0.50532%0.323SS..SBendtrans63.1-2.4-177.800000115.1C7C7-G11 WeakPolarHBondContact O-CA 3.32Å; C7-G11 PolarHBondContact O-N 3.26Å
12S88Confident86Confident65 Ų6554.2 Ų54.246%0.45530%0.295SS..SBendtrans-96.4160.7-176.6-59.40000111K6 C7 C10K6-S12 WeakPolarHBondContact CA-O 3.49Å; C7-S12 PolarHBondContact N-O 3.2Å; C10-S12 PolarHBondContact O-N 3.04Å; C10-S12 PolarHBondContact O-OG 3.13Å
13F87.3Confident86.3Confident35 Ų3555 Ų5515%0.15431%0.308CS..BIsolated β-bridgetrans-54.2140.9172.3-70.1-70.9000111.9E2 L5 R15 V130 Y133 Q134 I139E2-F13 HydrophobicContact CG-CE1 4.44Å; E2-F13 HydrophobicContact CG-CZ 4.38Å; L5-F13 HydrophobicContact CB-CD1 3.95Å; L5-F13 HydrophobicContact CB-CE1 4.08Å; L5-F13 WeakPolarHBondContact O-CA 3.44Å; F13-R15 PolarHBondContact O-N 3.41Å; F13-V130 HydrophobicContact CB-CG1 3.74Å; F13-V130 HydrophobicContact CD1-CG1 4.2Å; F13-V130 HydrophobicContact CG-CG1 4.18Å; F13-Y133 AromaticContact CE1-CD1 3.99Å; F13-Y133 HydrophobicContact CE1-CD1 3.99Å; F13-Y133 HydrophobicContact CE1-CE1 4Å; F13-Y133 HydrophobicContact CZ-CD1 4.32Å; F13-Y133 HydrophobicContact CZ-CE1 4.15Å; F13-Q134 HydrophobicContact CD2-CG 4.43Å; F13-Q134 HydrophobicContact CE2-CG 4.44Å; F13-I139 HydrophobicContact CE2-CD1 4.24Å; F13-I139 HydrophobicContact CZ-CD1 4.22Å
14F85.1Confident86.6Confident12 Ų1251.6 Ų51.65%0.05329%0.292CS..PPolyproline II helixtrans-54.7131.9-176.7-76.4-74.7000113.1L5 K6 C7 P17 N25 L126 V130L5-F14 WeakPolarHBondContact O-CD2 3.26Å; L5-F14 PolarHBondContact O-N 2.88Å; K6-F14 VanDerWaalsContact O-CE2 3.23Å; K6-F14 WeakPolarHBondContact O-CE2 3.43Å; K6-F14 VanDerWaalsContact O-CZ 3.32Å; K6-F14 WeakPolarHBondContact O-CZ 3.43Å; C7-F14 HydrophobicContact CB-CD1 3.83Å; C7-F14 HydrophobicContact CB-CE1 3.67Å; C7-F14 HydrophobicContact CB-CZ 4.26Å; F14-P17 HydrophobicContact CB-CB 4.06Å; F14-P17 HydrophobicContact CB-CG 4.18Å; F14-P17 HydrophobicContact CD1-CB 3.84Å; F14-P17 HydrophobicContact CG-CB 4.15Å; F14-N25 HydrophobicContact CD1-CB 4.39Å; F14-N25 VanDerWaalsContact CE1-C 3.48Å; F14-N25 HydrophobicContact CE1-CB 3.74Å; F14-N25 VanDerWaalsContact CE1-O 3.24Å; F14-N25 WeakPolarHBondContact CE1-O 3.45Å; F14-N25 HydrophobicContact CE2-CB 4.41Å; F14-N25 HydrophobicContact CZ-CB 3.74Å; F14-N25 WeakPolarHBondContact CZ-O 3.44Å; F14-L126 HydrophobicContact CB-CD2 4.37Å; F14-L126 HydrophobicContact CB-CG 4.44Å; F14-L126 HydrophobicContact CD1-CD2 4.36Å; F14-L126 HydrophobicContact CD2-CD1 4.25Å; F14-L126 HydrophobicContact CD2-CD2 3.57Å; F14-L126 HydrophobicContact CD2-CG 4.01Å; F14-L126 HydrophobicContact CE2-CD2 3.85Å; F14-L126 HydrophobicContact CG-CD2 3.85Å; F14-L126 HydrophobicContact CG-CG 4.35Å; F14-L126 HydrophobicContact CZ-CD2 4.36Å; F14-V130 HydrophobicContact CB-CG2 4.36Å
15R82.8Confident86.8Confident143 Ų14345.7 Ų45.754%0.5427%0.265SS..SBendtrans-127.1124.4172.2-67.1-179.6-178.9176-2.4108.7F13 C27 S142F13-R15 PolarHBondContact O-N 3.41Å; R15-C27 PolarHBondContact N-SG 3.31Å; R15-C27 WeakPolarHBondContact O-CB 3.44Å; R15-S142 PolarHBondContact NH2-OG 3.49Å
16D83Confident86.9Confident67 Ų6745.3 Ų45.336%0.35826%0.264SS..SBendtrans44.458.4-171-76.5-65.7000112.7I18 L28 R122D16-I18 PolarHBondContact O-N 2.96Å; D16-L28 HydrophobicContact CB-CB 4.1Å; D16-L28 WeakPolarHBondContact O-CB 3.38Å; D16-L28 PolarHBondContact O-N 3.13Å; D16-R122 IonicContact OD1-CZ 3.7Å; D16-R122 IonicContact OD1-NH1 2.88Å; D16-R122 PolarHBondContact OD1-NH1 3.27Å
17P88.6Confident87Confident1 Ų143.2 Ų43.21%0.00626%0.255CS..EExtended strand (participates in β ladder)trans-67.6133.8-177.827.5-33.6000111.8F14 N25 V26 R122 N123 L126 E127F14-P17 HydrophobicContact CB-CB 4.06Å; F14-P17 HydrophobicContact CB-CG 4.18Å; F14-P17 HydrophobicContact CD1-CB 3.84Å; F14-P17 HydrophobicContact CG-CB 4.15Å; P17-N25 HydrophobicContact CB-CB 4.47Å; P17-V26 WeakPolarHBondContact CA-O 3.45Å; P17-R122 CarbonylContact O-C 3.55Å; P17-R122 WeakPolarHBondContact O-CA 3.4Å; P17-N123 HydrophobicContact CB-CB 4.44Å; P17-N123 HydrophobicContact CG-CB 4.19Å; P17-N123 WeakPolarHBondContact CG-O 3.46Å; P17-N123 PolarHBondContact O-N 3.14Å; P17-L126 HydrophobicContact CB-CD2 4.03Å; P17-L126 HydrophobicContact CG-CB 4.25Å; P17-L126 HydrophobicContact CG-CD2 4.19Å; P17-L126 HydrophobicContact CG-CG 4.37Å; P17-E127 HydrophobicContact CG-CB 4.45Å
18I87.2Confident86.8Confident1 Ų143.9 Ų43.91%0.00526%0.259CS..EExtended strand (participates in β ladder)trans-96144.3165.861.3165000109.9D16 L20 N25 V26 L28 A31 L101 L117 F120D16-I18 PolarHBondContact O-N 2.96Å; I18-L20 HydrophobicContact CD1-CD2 4.21Å; I18-N25 WeakPolarHBondContact O-CA 3.32Å; I18-V26 VanDerWaalsContact CG1-O 3.29Å; I18-V26 WeakPolarHBondContact CG1-O 3.48Å; I18-V26 PolarHBondContact N-O 2.99Å; I18-V26 PolarHBondContact O-N 2.9Å; I18-V26 VanDerWaalsContact O-N 3.17Å; I18-L28 HydrophobicContact CG2-CB 4.29Å; I18-L28 HydrophobicContact CG2-CD1 3.85Å; I18-A31 HydrophobicContact CD1-CB 3.46Å; I18-A31 VanDerWaalsContact CD1-CB 3.46Å; I18-A31 HydrophobicContact CG1-CB 4.19Å; I18-L101 HydrophobicContact CD1-CD2 4.28Å; I18-L117 HydrophobicContact CD1-CD2 4.47Å; I18-F120 HydrophobicContact CB-CB 4.02Å; I18-F120 HydrophobicContact CD1-CB 4.29Å; I18-F120 HydrophobicContact CD1-CD2 3.89Å; I18-F120 HydrophobicContact CD1-CG 4.3Å; I18-F120 HydrophobicContact CG2-CB 4.43Å
19L87.9Confident86.7Confident57 Ų5746.8 Ų46.830%0.29827%0.27SS..EExtended strand (participates in β ladder)trans-97.4121.5176.3-178.469.9000109.9S23 N25 P121 N123L19-S23 WeakPolarHBondContact CD1-O 3.28Å; L19-N25 WeakPolarHBondContact CD1-OD1 3.47Å; L19-P121 HydrophobicContact CB-CG 4.26Å; L19-P121 PolarHBondContact N-O 3.25Å; L19-N123 HydrophobicContact CB-CB 4.5Å
20L87.5Confident86.7Confident9 Ų944.6 Ų44.65%0.04726%0.258CS..PPolyproline II helixtrans-82.6159.4177.4-58.7178.9000111.2I18 C22 S23 H24 V26 L101 C103 F120I18-L20 HydrophobicContact CD1-CD2 4.21Å; L20-C22 PolarHBondContact O-N 2.88Å; L20-C22 VanDerWaalsContact O-N 3.1Å; L20-S23 WeakPolarHBondContact O-CA 3.49Å; L20-S23 PolarHBondContact O-N 3.39Å; L20-H24 WeakPolarHBondContact CB-O 2.89Å; L20-H24 PolarHBondContact N-O 3.19Å; L20-V26 HydrophobicContact CD1-CG2 4.07Å; L20-L101 HydrophobicContact CD2-CD2 3.51Å; L20-C103 HydrophobicContact CD1-CB 3.77Å; L20-F120 HydrophobicContact CD2-CE1 4.4Å; L20-F120 HydrophobicContact CD2-CZ 4.41Å
21P82.6Confident86.6Confident83 Ų8341.9 Ų41.954%0.53924%0.239SC..THydrogen-bonded Turntrans-59.4-19.9175.4-25.836000114.8S23 V110 F120P21-S23 PolarHBondContact O-N 2.9Å; P21-V110 HydrophobicContact CG-CG1 4.22Å; P21-V110 HydrophobicContact CG-CG2 3.81Å; P21-F120 HydrophobicContact CG-CE1 4.12Å
22C86.9Confident86.6Confident25 Ų2545.7 Ų45.717%0.16924%0.238CC..THydrogen-bonded Turntrans-84.49.817264.30000113.6L20 H24 C106L20-C22 PolarHBondContact O-N 2.88Å; L20-C22 VanDerWaalsContact O-N 3.1Å; C22-H24 PolarHBondContact O-N 3.18Å; C22-H24 VanDerWaalsContact O-N 3.16Å; C22-C106 VanDerWaalsContact CB-SG 3.58Å
23S87.4Confident86.3Confident89 Ų8949.1 Ų49.162%0.62225%0.252SS*.SBendtrans67.12.1-178-53.80000116.3L19 L20 P21L19-S23 WeakPolarHBondContact CD1-O 3.28Å; L20-S23 WeakPolarHBondContact O-CA 3.49Å; L20-S23 PolarHBondContact O-N 3.39Å; P21-S23 PolarHBondContact O-N 2.9Å
24H89.8Confident86.1Confident63 Ų6349.9 Ų49.929%0.29226%0.256SS..  trans-80.8156.5171.9-67.6129.6000112L20 C22 L105 C106L20-H24 WeakPolarHBondContact CB-O 2.89Å; L20-H24 PolarHBondContact N-O 3.19Å; C22-H24 PolarHBondContact O-N 3.18Å; C22-H24 VanDerWaalsContact O-N 3.16Å; H24-L105 HydrophobicContact CB-CD1 4.09Å; H24-C106 PolarHBondContact ND1-SG 2.69Å; H24-C106 VanDerWaalsContact ND1-SG 3.45Å
25N90.4Very high86Confident28 Ų2850.8 Ų50.815%0.1526%0.263CS..EExtended strand (participates in β ladder)trans-115.2142.8-176-59.8-93.1000110.5F14 P17 I18 L19 N123 L126F14-N25 HydrophobicContact CD1-CB 4.39Å; F14-N25 VanDerWaalsContact CE1-C 3.48Å; F14-N25 HydrophobicContact CE1-CB 3.74Å; F14-N25 VanDerWaalsContact CE1-O 3.24Å; F14-N25 WeakPolarHBondContact CE1-O 3.45Å; F14-N25 HydrophobicContact CE2-CB 4.41Å; F14-N25 HydrophobicContact CZ-CB 3.74Å; F14-N25 WeakPolarHBondContact CZ-O 3.44Å; P17-N25 HydrophobicContact CB-CB 4.47Å; I18-N25 WeakPolarHBondContact O-CA 3.32Å; L19-N25 WeakPolarHBondContact CD1-OD1 3.47Å; N25-N123 PolarHBondContact OD1-ND2 3.15Å; N25-L126 HydrophobicContact CB-CD2 3.6Å; N25-L126 VanDerWaalsContact CG-CD2 3.47Å
26V89.9Confident85.7Confident1 Ų148.1 Ų48.11%0.00626%0.262CS..EExtended strand (participates in β ladder)trans-138.5142.9173.6-179.40000108.3V9 P17 I18 L20 C30 A31 I34 P104V9-V26 HydrophobicContact CG2-CG1 4.05Å; P17-V26 WeakPolarHBondContact CA-O 3.45Å; I18-V26 VanDerWaalsContact CG1-O 3.29Å; I18-V26 WeakPolarHBondContact CG1-O 3.48Å; I18-V26 PolarHBondContact N-O 2.99Å; I18-V26 PolarHBondContact O-N 2.9Å; I18-V26 VanDerWaalsContact O-N 3.17Å; L20-V26 HydrophobicContact CD1-CG2 4.07Å; V26-C30 HydrophobicContact CG1-CB 3.77Å; V26-A31 HydrophobicContact CG1-CB 4.1Å; V26-I34 HydrophobicContact CG1-CD1 4.41Å; V26-P104 HydrophobicContact CG2-CG 4.26Å
27C90.4Very high84.6Confident6 Ų650.5 Ų50.54%0.04127%0.272CS..EExtended strand (participates in β ladder)trans-61.6140.9173.6-62.70000110.3C7 R15 L29 C30 A31C7-C27 VanDerWaalsContact CB-SG 3.53Å; R15-C27 PolarHBondContact N-SG 3.31Å; R15-C27 WeakPolarHBondContact O-CB 3.44Å; C27-L29 PolarHBondContact O-N 3.13Å; C27-L29 VanDerWaalsContact O-N 3.16Å; C27-C30 HydrophobicContact CB-CB 4.03Å; C27-C30 CarbonylContact O-C 3.58Å; C27-C30 WeakPolarHBondContact O-CA 3.33Å; C27-C30 WeakPolarHBondContact O-CB 3.38Å; C27-C30 PolarHBondContact O-N 3.24Å; C27-A31 PolarHBondContact O-N 3.08Å
28L85Confident82.8Confident16 Ų1654.1 Ų54.18%0.08429%0.294CS..Hα-helixtrans-54.4-39.6-179.2179.864000113D16 I18 R32 L117D16-L28 HydrophobicContact CB-CB 4.1Å; D16-L28 WeakPolarHBondContact O-CB 3.38Å; D16-L28 PolarHBondContact O-N 3.13Å; I18-L28 HydrophobicContact CG2-CB 4.29Å; I18-L28 HydrophobicContact CG2-CD1 3.85Å; L28-R32 WeakPolarHBondContact O-CG 3.39Å; L28-R32 PolarHBondContact O-N 3.11Å; L28-R32 VanDerWaalsContact O-N 3.11Å; L28-L117 HydrophobicContact CD1-CB 4.28Å
29L83.8Confident80.6Confident117 Ų11759.8 Ų59.861%0.61333%0.33SS*.Hα-helixtrans-68-38.3176-66177.7000112.3C27 R32 N33C27-L29 PolarHBondContact O-N 3.13Å; C27-L29 VanDerWaalsContact O-N 3.16Å; L29-R32 WeakPolarHBondContact O-CB 3.28Å; L29-R32 PolarHBondContact O-N 3.44Å; L29-N33 PolarHBondContact O-N 3.36Å; L29-N33 PolarHBondContact O-OD1 3.26Å
30C86.1Confident78.1Confident13 Ų1364 Ų649%0.08835%0.353CS..Hα-helixtrans-68.9-41.5176.9-63.80000111V9 V26 C27 R32 N33 I34V9-C30 HydrophobicContact CB-CB 3.77Å; V9-C30 HydrophobicContact CG1-CB 3.8Å; V9-C30 HydrophobicContact CG2-CB 4.25Å; V26-C30 HydrophobicContact CG1-CB 3.77Å; C27-C30 HydrophobicContact CB-CB 4.03Å; C27-C30 CarbonylContact O-C 3.58Å; C27-C30 WeakPolarHBondContact O-CA 3.33Å; C27-C30 WeakPolarHBondContact O-CB 3.38Å; C27-C30 PolarHBondContact O-N 3.24Å; C30-R32 VanDerWaalsContact C-N 3.28Å; C30-R32 PolarHBondContact O-N 2.84Å; C30-N33 PolarHBondContact O-N 3.06Å; C30-I34 WeakPolarHBondContact O-CG1 3.4Å; C30-I34 PolarHBondContact O-N 3.31Å; C30-I34 VanDerWaalsContact O-N 3.11Å
31A84.6Confident75.8Confident0 Ų066.7 Ų66.70%038%0.383CS..Hα-helixtrans-59-39.117500000112.1I18 V26 C27 N33 I34 T35 L101 L117I18-A31 HydrophobicContact CD1-CB 3.46Å; I18-A31 VanDerWaalsContact CD1-CB 3.46Å; I18-A31 HydrophobicContact CG1-CB 4.19Å; V26-A31 HydrophobicContact CG1-CB 4.1Å; C27-A31 PolarHBondContact O-N 3.08Å; A31-N33 VanDerWaalsContact C-N 3.31Å; A31-N33 PolarHBondContact O-N 3.37Å; A31-I34 PolarHBondContact O-N 3.4Å; A31-T35 PolarHBondContact O-N 2.87Å; A31-T35 VanDerWaalsContact O-N 3.12Å; A31-T35 PolarHBondContact O-OG1 2.92Å; A31-L101 HydrophobicContact CB-CD1 4.41Å; A31-L101 HydrophobicContact CB-CD2 4.42Å; A31-L117 HydrophobicContact CB-CD1 4.26Å; A31-L117 HydrophobicContact CB-CD2 4.23Å
32R84Confident73.4Confident129 Ų12972 Ų7249%0.48740%0.401SS..Hα-helixtrans-59.2-41172.7-75.3172.5-176.6-174.71.9112.5L28 L29 C30 L117L28-R32 WeakPolarHBondContact O-CG 3.39Å; L28-R32 PolarHBondContact O-N 3.11Å; L28-R32 VanDerWaalsContact O-N 3.11Å; L29-R32 WeakPolarHBondContact O-CB 3.28Å; L29-R32 PolarHBondContact O-N 3.44Å; C30-R32 VanDerWaalsContact C-N 3.28Å; C30-R32 PolarHBondContact O-N 2.84Å; R32-L117 VanDerWaalsContact CA-CD1 3.48Å; R32-L117 HydrophobicContact CB-CD1 4.06Å; R32-L117 HydrophobicContact CG-CD1 3.41Å; R32-L117 VanDerWaalsContact CG-CD1 3.41Å
33N82.4Confident70.7Confident137 Ų13777.1 Ų77.173%0.73343%0.431SS*.Hα-helixtrans-74.1-27.6-177.7-66.4-4.7000113.1L29 C30 A31L29-N33 PolarHBondContact O-N 3.36Å; L29-N33 PolarHBondContact O-OD1 3.26Å; C30-N33 PolarHBondContact O-N 3.06Å; A31-N33 VanDerWaalsContact C-N 3.31Å; A31-N33 PolarHBondContact O-N 3.37Å
34I83.6Confident68.1Low50 Ų5078.9 Ų78.926%0.25644%0.441SS..THydrogen-bonded Turntrans-100.17.2-18066.2166.6000113.1V9 V26 C30 A31 L101V9-I34 HydrophobicContact CG1-CG2 4.06Å; V9-I34 HydrophobicContact CG2-CD1 4.19Å; V26-I34 HydrophobicContact CG1-CD1 4.41Å; C30-I34 WeakPolarHBondContact O-CG1 3.4Å; C30-I34 PolarHBondContact O-N 3.31Å; C30-I34 VanDerWaalsContact O-N 3.11Å; A31-I34 PolarHBondContact O-N 3.4Å; I34-L101 HydrophobicContact CD1-CD1 3.84Å; I34-L101 HydrophobicContact CG1-CD1 3.57Å
35T82.5Confident65.4Low32 Ų3282.2 Ų82.220%0.19647%0.465CS..EExtended strand (participates in β ladder)trans-79.3124.6173.7-60.80000109.1A31 C99 L112A31-T35 PolarHBondContact O-N 2.87Å; A31-T35 VanDerWaalsContact O-N 3.12Å; A31-T35 PolarHBondContact O-OG1 2.92Å; T35-C99 HydrophobicContact CG2-CB 3.97Å; T35-L112 HydrophobicContact CG2-CD1 3.59Å
36V76.4Confident62.7Low86 Ų8689.9 Ų89.952%0.52150%0.5SS..EExtended strand (participates in β ladder)trans-100.1131.4-179.6-175.90000109.4S100V36-S100 PolarHBondContact N-O 3.29Å; V36-S100 PolarHBondContact O-N 3.43Å
37Q60.7Low59.8Low118 Ų11895.6 Ų95.655%0.55154%0.54SS*.EExtended strand (participates in β ladder)trans-91.1118.5169.2-62.6-170.914.500108.3
38T49.8Very low57Low77 Ų77107 Ų10747%0.47258%0.582SS.*PPolyproline II helixtrans-85.8129.417142.30000109.3N98T38-N98 PolarHBondContact OG1-O 3.42Å
39P40.8Very low54.3Low119 Ų119110.8 Ų110.877%0.77362%0.616SS**PPolyproline II helixtrans-63.3148.6167-13.927.8000110.3G41P39-G41 PolarHBondContact O-N 3.2Å; P39-G41 VanDerWaalsContact O-N 3.16Å
40D35.5Very low51.7Low146 Ų146111.4 Ų111.478%0.78163%0.63SS**SBendtrans-58.7117.7-179.5-75-46.3000111.8
41G39.7Very low48.9Very low65 Ų65114.2 Ų114.267%0.6766%0.662SS**  trans162.6110.317500000111.3P39P39-G41 PolarHBondContact O-N 3.2Å; P39-G41 VanDerWaalsContact O-N 3.16Å
42E31.1Very low46.2Very low196 Ų196119.9 Ų119.992%0.91670%0.701SS**  trans88.8112169.8-54.6-172.7160.700117.9
43T31Very low43.6Very low131 Ų131118.9 Ų118.980%0.80471%0.714SS**PPolyproline II helixtrans-63.5132.2168.145.20000111.3
44P32.7Very low41Very low126 Ų126118.5 Ų118.582%0.81871%0.712SS**PPolyproline II helixtrans-79.3130.6169.40.316.3000110.6
45V33.8Very low38.4Very low134 Ų134125.6 Ų125.681%0.81274%0.737SS**PPolyproline II helixtrans-65.1132.8175.4-178.70000110.4S47V45-S47 PolarHBondContact O-N 3.26Å
46Q33Very low36Very low189 Ų189130.3 Ų130.388%0.88376%0.761SS**  trans-67.3107.8170.5-69.4177.2-11.600110.1R48Q46-R48 PolarHBondContact O-N 3.19Å
47S28.6Very low33.8Very low120 Ų120135.4 Ų135.484%0.83977%0.772SS**  trans-82.5113.7168.1-79.70000110.9V45V45-S47 PolarHBondContact O-N 3.26Å
48R30.8Very low32.7Very low245 Ų245136.6 Ų136.693%0.92578%0.781SS**  trans-62148.4168.5-80.1176.5158.3165.7-5.7111.4Q46Q46-R48 PolarHBondContact O-N 3.19Å
49A28.8Very low31.8Very low96 Ų96140.6 Ų140.679%0.79380%0.8SS**  trans-68.1139.3172.600000112.9
50S30.7Very low31.5Very low130 Ų130142.2 Ų142.291%0.90980%0.799SS**  trans178.8138.2150.8-70.20000104.2
51G27.1Very low31.3Very low73 Ų73141.3 Ų141.375%0.75379%0.794SS**  cis148.111914.900000104.6
52S27.8Very low30.8Very low119 Ų119147.3 Ų147.383%0.83280%0.802SS**  trans49.7113.2162.2-174.90000120.6
53S29.1Very low30.7Very low107 Ų107145.9 Ų145.975%0.74880%0.797SS**  159.8120.5110.561.80000112.8
54D27.6Very low30.7Very low130 Ų130144.5 Ų144.570%0.69579%0.793SS**  34.4127.9127.3-80.54.6000122.9
55Y28.5Very low30.6Very low198 Ų198145.5 Ų145.578%0.77679%0.79SS**  trans47.2133.8150.9-51.8-73.4000117.6
56D32.8Very low30.5Very low132 Ų132149.7 Ų149.771%0.70679%0.793SS**  cis-174.916339.2-124-17.7000112.1
57Y30.7Very low30.7Very low193 Ų193145.1 Ų145.176%0.75778%0.782SS**  trans69.6140.9147.2-99.8-100.6000126.7
58L36.8Very low30.8Very low142 Ų142148.1 Ų148.174%0.74378%0.783SS**  trans-51147.8173.2-54.7163.5000113.8
59D31.1Very low31.1Very low161 Ų161143.1 Ų143.186%0.86178%0.78SS**  -150.9125.8123.2-156.312.2000111.7
60M34.5Very low30.9Very low154 Ų154145.8 Ų145.876%0.75978%0.781SS**  trans-121105.1170.7-124.6-130.576.100104.2
61D30.2Very low31Very low127 Ų127145 Ų14568%0.67978%0.775SS**  trans174.6114.7130.5-98-26000110.8
62K29.7Very low31.2Very low190 Ų190145 Ų14583%0.82678%0.775SS**  trans-143.787.1143.3-160.5172-177.51790109.7S64K62-S64 PolarHBondContact O-N 3.09Å
63M29.2Very low31.2Very low166 Ų166151.1 Ų151.182%0.81878%0.782SS**  trans-55.5127.2152.3-95.6169.8175.600109.4
64S31Very low31.1Very low103 Ų103149.2 Ų149.272%0.7278%0.779SS**  trans-140.998.3157.1-780000107.9K62K62-S64 PolarHBondContact O-N 3.09Å
65L30.8Very low31.4Very low146 Ų146148.2 Ų148.276%0.76478%0.782SS**  trans-74.7127.8158.2-95.8141.6000108.1
66Y32.3Very low31.4Very low223 Ų223149.9 Ų149.988%0.87579%0.789SS**  trans-168.3117.4132.7-87.9-66.3000110.2
67S36.5Very low31.3Very low93 Ų93149.5 Ų149.565%0.6579%0.792SS**  trans55.6110.5139.3-47.50000120.5
68E31.6Very low31.9Very low182 Ų182145.5 Ų145.585%0.8579%0.789SS**  83.6117.880.4-78.3-166.3148.400115.5
69T35.9Very low31.4Very low141 Ų141143.9 Ų143.987%0.86579%0.789SS**  trans151.4104.414447.20000108.5
70D25.7Very low31.5Very low152 Ų152144.1 Ų144.181%0.81378%0.784SS**  86.1140.581.6-16932.9000113.5
71S32.1Very low31.4Very low113 Ų113143.4 Ų143.479%0.7978%0.783SS**  trans80.8121.1-178.1-50.60000115.8
72G31Very low31.3Very low73 Ų73146.4 Ų146.475%0.75379%0.79SS**  cis136.5107.512.200000109.6
73Y28Very low31.4Very low247 Ų247142.3 Ų142.397%0.96979%0.786SS**  trans63.3135148.8-118.3-102.4000122
74G28.3Very low31.8Very low67 Ų67139.8 Ų139.869%0.69178%0.781SS**  trans126.984.4136.400000117.5
75S32.2Very low32Very low109 Ų109141.8 Ų141.876%0.76278%0.784SS**  trans-57.2143.3151.9-46.40000110.6
76Y28.7Very low32.5Very low233 Ų233139.2 Ų139.291%0.91479%0.792SS**  trans158.2110.4136.2-87.5-71.4000111.2
77T31.8Very low32.6Very low125 Ų125134 Ų13477%0.76778%0.784SS**  trans-83.7157.3142.347.60000108.1
78P42.4Very low32.6Very low109 Ų109141.3 Ų141.371%0.70880%0.797SS**  cis-154171.83641-18.5000119.3
79C27.5Very low32.8Very low108 Ų108138.3 Ų138.373%0.7379%0.791SS**  trans80.2119143.4-78.10000123.4
80Q32Very low32.6Very low165 Ų165140.5 Ų140.577%0.77179%0.789SS**  107.7139122-80.8-178.613.100122
81L32.7Very low33.1Very low140 Ų140138.7 Ų138.773%0.73379%0.785SS**  trans85.2130.1152.5-72148.4000116.5
82K29.1Very low33.2Very low189 Ų189138.9 Ų138.982%0.82278%0.784SS**  cis-156.7151.421.5-94.8153.1-174-177.10110.6
83S31.4Very low33.6Very low105 Ų105142.3 Ų142.373%0.73479%0.79SS**  trans-104138.5158.4172.60000109
84P36.8Very low33.9Very low112 Ų112134.7 Ų134.773%0.72778%0.778SS**  trans-101.794.6162.933.1-18.9000108.1
85N34.8Very low34.6Very low146 Ų146136.9 Ų136.978%0.78178%0.78SS**SBendtrans175.5114.9140.8-84.9-21.8000109V87N85-V87 PolarHBondContact O-N 3.43Å
86G42.3Very low35.2Very low91 Ų91137.5 Ų137.594%0.93877%0.771SS**  trans-71.484-172.300000113.8
87V33Very low36.3Very low115 Ų115135.7 Ų135.770%0.69776%0.762SS**  trans-121.2113.2160.6-174.90000108N85 V89N85-V87 PolarHBondContact O-N 3.43Å; V87-V89 HydrophobicContact CB-CG2 4.49Å; V87-V89 HydrophobicContact CG1-CG2 3.8Å; V87-V89 PolarHBondContact O-N 3.12Å
88R37.8Very low37.7Very low246 Ų246134.9 Ų134.993%0.92875%0.753SS**  trans-70.596.6168.5-73.3-174.8-171-125.53.1108
89V36.3Very low39.2Very low119 Ų119130.9 Ų130.972%0.72173%0.727SS**  trans-97113.7163.3-171.20000106.6V87V87-V89 HydrophobicContact CB-CG2 4.49Å; V87-V89 HydrophobicContact CG1-CG2 3.8Å; V87-V89 PolarHBondContact O-N 3.12Å
90F30.4Very low41.8Very low187 Ų187127.4 Ų127.482%0.8270%0.704SS**PPolyproline II helixtrans-58.6132164.3-81.8-92.3000108.1
91P36.4Very low44.3Very low113 Ų113119.6 Ų119.673%0.73467%0.668SS**PPolyproline II helixtrans-67137.9172.26.54.3000108.9
92P35.2Very low46.9Very low118 Ų118115.8 Ų115.877%0.76665%0.651SS**PPolyproline II helixtrans-68.1148.8172.329.9-31.8000109.7A94P92-A94 PolarHBondContact O-N 3.4Å; P92-A94 VanDerWaalsContact O-N 3.17Å
93V38.6Very low49.7Very low145 Ų145106.9 Ų106.988%0.87961%0.612SS**  trans-57.4114.5171.7-1800000108.6
94A35Very low52.3Low86 Ų86104.1 Ų104.171%0.71159%0.591SS**  trans-76.4137.6178.100000111.1P92P92-A94 PolarHBondContact O-N 3.4Å; P92-A94 VanDerWaalsContact O-N 3.17Å
95P42.7Very low54.7Low114 Ų114103.2 Ų103.274%0.7458%0.58SS**  trans-80.8153.2176.433-30.8000112.3
96H43.9Very low57.3Low122 Ų12298.8 Ų98.857%0.56556%0.56SS**  trans-14.6127.1-179.7-51.7-77.9000120.3E114H96-E114 IonicContact CE1-OE1 2.7Å; H96-E114 PolarHBondContact CE1-OE1 3.36Å; H96-E114 IonicContact ND1-OE1 3.73Å; H96-E114 PolarHBondContact ND1-OE1 3.09Å; H96-E114 IonicContact NE2-OE1 3.46Å
97R52.7Low59.5Low195 Ų195101.4 Ų101.474%0.73655%0.548SS*.  trans-88.8123.2166.3-64-174.7-177.8-144.2-1.6110.6C99R97-C99 PolarHBondContact O-N 2.93Å
98N61.2Low62.1Low107 Ų107103.6 Ų103.657%0.57254%0.543SS*.  trans-81.1108.9172.9-73.4-18.6000110.5T38T38-N98 PolarHBondContact OG1-O 3.42Å
99C73.6Confident64.3Low25 Ų2595.7 Ų95.717%0.16953%0.526CS..EExtended strand (participates in β ladder)trans-105.4143.9175-65.10000109.9T35 R97 L112T35-C99 HydrophobicContact CG2-CB 3.97Å; R97-C99 PolarHBondContact O-N 2.93Å; C99-L112 HydrophobicContact CB-CB 4.18Å; C99-L112 HydrophobicContact CB-CD1 3.75Å; C99-L112 HydrophobicContact CB-CG 4.2Å; C99-L112 WeakPolarHBondContact O-CB 3.33Å; C99-L112 WeakPolarHBondContact O-CG 3.38Å; C99-L112 PolarHBondContact O-N 2.85Å
100S81.9Confident66.5Low35 Ų3591.7 Ų91.725%0.24550%0.501CS..EExtended strand (participates in β ladder)trans-127.4150.6175.867.80000112.8V36 V110V36-S100 PolarHBondContact N-O 3.29Å; V36-S100 PolarHBondContact O-N 3.43Å; S100-V110 WeakPolarHBondContact CA-O 3.47Å
101L85.5Confident68.9Low2 Ų287.6 Ų87.61%0.0150%0.496CS..EExtended strand (participates in β ladder)trans-125.5125.5179.4-179.370.3000110.2I18 L20 A31 I34 S109 V110 L112 L117 F120I18-L101 HydrophobicContact CD1-CD2 4.28Å; L20-L101 HydrophobicContact CD2-CD2 3.51Å; A31-L101 HydrophobicContact CB-CD1 4.41Å; A31-L101 HydrophobicContact CB-CD2 4.42Å; I34-L101 HydrophobicContact CD1-CD1 3.84Å; I34-L101 HydrophobicContact CG1-CD1 3.57Å; L101-S109 CarbonylContact O-C 3.36Å; L101-S109 WeakPolarHBondContact O-CA 3.3Å; L101-V110 PolarHBondContact N-O 3.39Å; L101-V110 PolarHBondContact O-N 3.09Å; L101-L112 HydrophobicContact CB-CD2 4.28Å; L101-L117 HydrophobicContact CD2-CD2 3.81Å; L101-F120 HydrophobicContact CD2-CE2 3.82Å; L101-F120 HydrophobicContact CD2-CZ 4.27Å
102T87Confident71Confident60 Ų6083.3 Ų83.337%0.36847%0.467SS..EExtended strand (participates in β ladder)trans-105.9130.3178.1-56.80000111.2
103C87.8Confident72.7Confident1 Ų181.3 Ų81.31%0.00745%0.45CS..  trans-68.6126.8177.1-178.10000111L20 L105 C106 H107 R108L20-C103 HydrophobicContact CD1-CB 3.77Å; C103-L105 VanDerWaalsContact C-N 3.26Å; C103-L105 PolarHBondContact O-N 2.99Å; C103-C106 VanDerWaalsContact SG-SG 3.65Å; C103-H107 WeakPolarHBondContact O-CA 3.24Å; C103-H107 PolarHBondContact O-N 3.19Å; C103-R108 PolarHBondContact N-O 2.97Å
104P86.1Confident73.9Confident47 Ų4782.1 Ų82.131%0.30544%0.444SS..THydrogen-bonded Turntrans-74.1-12.4-17929.7-36.4000114.4P8 V9 V26P8-P104 HydrophobicContact CB-CG 4.18Å; P8-P104 HydrophobicContact CG-CG 3.67Å; V9-P104 HydrophobicContact CG2-CG 3.96Å; V26-P104 HydrophobicContact CG2-CG 4.26Å
105L86.1Confident75.4Confident94 Ų9485.7 Ų85.749%0.49244%0.439SS..THydrogen-bonded Turntrans-96.6-33.2-177.5-68.8174.6000113.4P8 H24 C103P8-L105 HydrophobicContact CB-CD2 3.82Å; P8-L105 HydrophobicContact CB-CG 4.09Å; P8-L105 HydrophobicContact CG-CD1 4.1Å; P8-L105 HydrophobicContact CG-CD2 4.24Å; P8-L105 HydrophobicContact CG-CG 3.95Å; H24-L105 HydrophobicContact CB-CD1 4.09Å; C103-L105 VanDerWaalsContact C-N 3.26Å; C103-L105 PolarHBondContact O-N 2.99Å
106C89.4Confident77Confident53 Ų5381.3 Ų81.336%0.35842%0.415SS..THydrogen-bonded Turntrans-130.57.2-177.666.60000113.9C22 H24 C103 R108C22-C106 VanDerWaalsContact CB-SG 3.58Å; H24-C106 PolarHBondContact ND1-SG 2.69Å; H24-C106 VanDerWaalsContact ND1-SG 3.45Å; C103-C106 VanDerWaalsContact SG-SG 3.65Å; C106-R108 PolarHBondContact O-N 3.38Å
107H88.3Confident78.4Confident146 Ų14676.5 Ų76.568%0.67639%0.393SS*.  trans58.115.1174.9-53.6-69.2000116.1C103C103-H107 WeakPolarHBondContact O-CA 3.24Å; C103-H107 PolarHBondContact O-N 3.19Å
108R87.4Confident79.3Confident160 Ų16077 Ų7760%0.60440%0.395SS*.  trans-78126.8175.1-168.7175.8-65.1-169.6-1.8111.1C103 C106C103-R108 PolarHBondContact N-O 2.97Å; C106-R108 PolarHBondContact O-N 3.38Å
109S85.7Confident79.8Confident81 Ų8173.7 Ų73.757%0.56639%0.387SS*.EExtended strand (participates in β ladder)trans-92.6149.5177.858.70000112.9L101L101-S109 CarbonylContact O-C 3.36Å; L101-S109 WeakPolarHBondContact O-CA 3.3Å
110V82.6Confident80.1Confident34 Ų3473.8 Ų73.821%0.20638%0.384CS..EExtended strand (participates in β ladder)trans-137128.4178.6-177.50000109.5P21 S100 L101 F120P21-V110 HydrophobicContact CG-CG1 4.22Å; P21-V110 HydrophobicContact CG-CG2 3.81Å; S100-V110 WeakPolarHBondContact CA-O 3.47Å; L101-V110 PolarHBondContact N-O 3.39Å; L101-V110 PolarHBondContact O-N 3.09Å; V110-F120 HydrophobicContact CB-CZ 4.29Å; V110-F120 HydrophobicContact CG1-CE1 4.05Å; V110-F120 HydrophobicContact CG1-CZ 3.84Å
111S80.3Confident80Confident102 Ų10275.4 Ų75.471%0.71339%0.394SS*.EExtended strand (participates in β ladder)trans-75.3134172.652.20000110.9
112L79.7Confident79.8Confident22 Ų2281.5 Ų81.512%0.11542%0.417CS..  trans-85.8134.4178.5-56.2-175.4000110.5T35 C99 L101 L117 F120T35-L112 HydrophobicContact CG2-CD1 3.59Å; C99-L112 HydrophobicContact CB-CB 4.18Å; C99-L112 HydrophobicContact CB-CD1 3.75Å; C99-L112 HydrophobicContact CB-CG 4.2Å; C99-L112 WeakPolarHBondContact O-CB 3.33Å; C99-L112 WeakPolarHBondContact O-CG 3.38Å; C99-L112 PolarHBondContact O-N 2.85Å; L101-L112 HydrophobicContact CB-CD2 4.28Å; L112-L117 HydrophobicContact CD1-CD2 3.93Å; L112-L117 HydrophobicContact CD1-CG 4.1Å; L112-L117 HydrophobicContact CD2-CD2 4.05Å; L112-F120 HydrophobicContact CD2-CD2 4.49Å; L112-F120 HydrophobicContact CD2-CE2 3.39Å; L112-F120 HydrophobicContact CD2-CZ 3.78Å
113D70.2Confident79.7Confident76 Ų7680.4 Ų80.441%0.40641%0.409SS..  trans-80.4-176.2172.867.3-10.2000111R115 G116D113-R115 PolarHBondContact O-N 3.48Å; D113-R115 WeakPolarHBondContact OD1-CB 3.46Å; D113-R115 PolarHBondContact OD1-N 2.95Å; D113-R115 IonicContact OD2-CZ 3.29Å; D113-R115 IonicContact OD2-NE 3.25Å; D113-R115 PolarHBondContact OD2-NE 2.68Å; D113-R115 IonicContact OD2-NH2 2.73Å; D113-R115 PolarHBondContact OD2-NH2 3.44Å; D113-G116 WeakPolarHBondContact O-CA 3.44Å; D113-G116 PolarHBondContact O-N 3.12Å; D113-G116 PolarHBondContact OD1-N 3.37Å
114E64.8Low79.4Confident163 Ų16387.9 Ų87.976%0.76244%0.437SS*.THydrogen-bonded Turntrans-56.9-20.1177.1-65.7-179.9-175.600113.6H96 G116H96-E114 IonicContact CE1-OE1 2.7Å; H96-E114 PolarHBondContact CE1-OE1 3.36Å; H96-E114 IonicContact ND1-OE1 3.73Å; H96-E114 PolarHBondContact ND1-OE1 3.09Å; H96-E114 IonicContact NE2-OE1 3.46Å; E114-G116 VanDerWaalsContact C-N 3.31Å
115R66.5Low79.3Confident160 Ų16091.1 Ų91.160%0.60445%0.451SS*.THydrogen-bonded Turntrans-83.8-7.3176.1-63.5177.7-73.2-149.4-6.1112.6D113 R118D113-R115 PolarHBondContact O-N 3.48Å; D113-R115 WeakPolarHBondContact OD1-CB 3.46Å; D113-R115 PolarHBondContact OD1-N 2.95Å; D113-R115 IonicContact OD2-CZ 3.29Å; D113-R115 IonicContact OD2-NE 3.25Å; D113-R115 PolarHBondContact OD2-NE 2.68Å; D113-R115 IonicContact OD2-NH2 2.73Å; D113-R115 PolarHBondContact OD2-NH2 3.44Å; R115-R118 WeakPolarHBondContact O-CB 3.34Å; R115-R118 PolarHBondContact O-N 2.71Å; R115-R118 VanDerWaalsContact O-N 3.14Å
116G76.5Confident79.2Confident22 Ų2287.4 Ų87.423%0.22743%0.431CS..G310 helixtrans56.8-145176.400000112.6D113 E114 R118 G119D113-G116 WeakPolarHBondContact O-CA 3.44Å; D113-G116 PolarHBondContact O-N 3.12Å; D113-G116 PolarHBondContact OD1-N 3.37Å; E114-G116 VanDerWaalsContact C-N 3.31Å; G116-R118 PolarHBondContact O-N 3.13Å; G116-G119 PolarHBondContact O-N 2.91Å
117L73.5Confident78.9Confident21 Ų2188.2 Ų88.211%0.1143%0.43CS..G310 helixtrans-63.8-11.6175.4-64.6174.6000114.4I18 L28 A31 R32 L101 L112 G119 F120I18-L117 HydrophobicContact CD1-CD2 4.47Å; L28-L117 HydrophobicContact CD1-CB 4.28Å; A31-L117 HydrophobicContact CB-CD1 4.26Å; A31-L117 HydrophobicContact CB-CD2 4.23Å; R32-L117 VanDerWaalsContact CA-CD1 3.48Å; R32-L117 HydrophobicContact CB-CD1 4.06Å; R32-L117 HydrophobicContact CG-CD1 3.41Å; R32-L117 VanDerWaalsContact CG-CD1 3.41Å; L101-L117 HydrophobicContact CD2-CD2 3.81Å; L112-L117 HydrophobicContact CD1-CD2 3.93Å; L112-L117 HydrophobicContact CD1-CG 4.1Å; L112-L117 HydrophobicContact CD2-CD2 4.05Å; L117-G119 VanDerWaalsContact C-N 3.26Å; L117-F120 HydrophobicContact CD2-CD2 4.22Å; L117-F120 HydrophobicContact CD2-CE2 4.01Å
118R71.5Confident78.6Confident205 Ų20583.4 Ų83.477%0.77442%0.415SS*.G310 helixtrans-77.2-14.9173.2-61.5-175174-140.63.1112.3R115 G116 F120R115-R118 WeakPolarHBondContact O-CB 3.34Å; R115-R118 PolarHBondContact O-N 2.71Å; R115-R118 VanDerWaalsContact O-N 3.14Å; G116-R118 PolarHBondContact O-N 3.13Å; R118-F120 VanDerWaalsContact C-N 3.26Å; R118-F120 PolarHBondContact O-N 3.34Å
119G70.6Confident78.5Confident39 Ų3978.3 Ų78.340%0.40240%0.4SS..G310 helixtrans-70.8-18.317500000113.9G116 L117G116-G119 PolarHBondContact O-N 2.91Å; L117-G119 VanDerWaalsContact C-N 3.26Å
120F81.1Confident78.4Confident26 Ų2674.7 Ų74.711%0.11437%0.374CS..SBendtrans-81.5138176.2-65.1-67.9000112.2I18 L20 P21 L101 V110 L112 L117 R118 R122I18-F120 HydrophobicContact CB-CB 4.02Å; I18-F120 HydrophobicContact CD1-CB 4.29Å; I18-F120 HydrophobicContact CD1-CD2 3.89Å; I18-F120 HydrophobicContact CD1-CG 4.3Å; I18-F120 HydrophobicContact CG2-CB 4.43Å; L20-F120 HydrophobicContact CD2-CE1 4.4Å; L20-F120 HydrophobicContact CD2-CZ 4.41Å; P21-F120 HydrophobicContact CG-CE1 4.12Å; L101-F120 HydrophobicContact CD2-CE2 3.82Å; L101-F120 HydrophobicContact CD2-CZ 4.27Å; V110-F120 HydrophobicContact CB-CZ 4.29Å; V110-F120 HydrophobicContact CG1-CE1 4.05Å; V110-F120 HydrophobicContact CG1-CZ 3.84Å; L112-F120 HydrophobicContact CD2-CD2 4.49Å; L112-F120 HydrophobicContact CD2-CE2 3.39Å; L112-F120 HydrophobicContact CD2-CZ 3.78Å; L117-F120 HydrophobicContact CD2-CD2 4.22Å; L117-F120 HydrophobicContact CD2-CE2 4.01Å; R118-F120 VanDerWaalsContact C-N 3.26Å; R118-F120 PolarHBondContact O-N 3.34Å; F120-R122 PolarHBondContact O-N 3.35Å
121P78.6Confident78.3Confident70 Ų7075.7 Ų75.746%0.45538%0.38SS..PPolyproline II helixtrans-66.6133.6176.824.1-28.7000110.9L19L19-P121 HydrophobicContact CB-CG 4.26Å; L19-P121 PolarHBondContact N-O 3.25Å
122R82.2Confident78.5Confident129 Ų12976.7 Ų76.749%0.48737%0.368SS..BIsolated β-bridgetrans-75.9128.2173-66-167.4-172.1-1708.9110.7D16 P17 F120 R124D16-R122 IonicContact OD1-CZ 3.7Å; D16-R122 IonicContact OD1-NH1 2.88Å; D16-R122 PolarHBondContact OD1-NH1 3.27Å; P17-R122 CarbonylContact O-C 3.55Å; P17-R122 WeakPolarHBondContact O-CA 3.4Å; F120-R122 PolarHBondContact O-N 3.35Å; R122-R124 VanDerWaalsContact C-N 3.33Å; R122-R124 PolarHBondContact O-N 3.23Å
123N83.8Confident78.7Confident37 Ų3776.8 Ų76.820%0.19837%0.367CS..  trans-85.772.6178.4-166.2-13.5000111.6P17 L19 N25 L125 L126 E127P17-N123 HydrophobicContact CB-CB 4.44Å; P17-N123 HydrophobicContact CG-CB 4.19Å; P17-N123 WeakPolarHBondContact CG-O 3.46Å; P17-N123 PolarHBondContact O-N 3.14Å; L19-N123 HydrophobicContact CB-CB 4.5Å; N25-N123 PolarHBondContact OD1-ND2 3.15Å; N123-L125 PolarHBondContact O-N 3.4Å; N123-L125 PolarHBondContact OD1-N 3.44Å; N123-L126 HydrophobicContact CB-CB 4.14Å; N123-L126 PolarHBondContact O-N 2.91Å; N123-L126 VanDerWaalsContact O-N 3.15Å; N123-L126 PolarHBondContact OD1-N 3.39Å; N123-E127 PolarHBondContact O-N 3.04Å
124R82.4Confident79.2Confident159 Ų15974.3 Ų74.360%0.635%0.353SS*.Hα-helixtrans-61.1-23.5177.7-63-176.8-179.61692.6113.1R122 A128R122-R124 VanDerWaalsContact C-N 3.33Å; R122-R124 PolarHBondContact O-N 3.23Å; R124-A128 WeakPolarHBondContact O-CB 3.23Å; R124-A128 PolarHBondContact O-N 2.98Å
125L84.1Confident79.8Confident114 Ų11472.9 Ų72.960%0.59735%0.346SS*.Hα-helixtrans-68.4-44175.8177.862.4000111.1N123 A128 I129N123-L125 PolarHBondContact O-N 3.4Å; N123-L125 PolarHBondContact OD1-N 3.44Å; L125-A128 PolarHBondContact O-N 3.49Å; L125-I129 HydrophobicContact CD1-CD1 4.24Å; L125-I129 HydrophobicContact CD1-CG1 4.46Å; L125-I129 HydrophobicContact CG-CD1 3.94Å; L125-I129 VanDerWaalsContact O-CG1 3.24Å; L125-I129 WeakPolarHBondContact O-CG1 3.4Å; L125-I129 PolarHBondContact O-N 2.9Å
126L85.1Confident80.4Confident16 Ų1671.2 Ų71.28%0.08435%0.354CS..Hα-helixtrans-62.1-43.4176.4179.758000111.5L5 F14 P17 N25 N123 A128 I129 V130L5-L126 HydrophobicContact CD2-CD1 3.77Å; F14-L126 HydrophobicContact CB-CD2 4.37Å; F14-L126 HydrophobicContact CB-CG 4.44Å; F14-L126 HydrophobicContact CD1-CD2 4.36Å; F14-L126 HydrophobicContact CD2-CD1 4.25Å; F14-L126 HydrophobicContact CD2-CD2 3.57Å; F14-L126 HydrophobicContact CD2-CG 4.01Å; F14-L126 HydrophobicContact CE2-CD2 3.85Å; F14-L126 HydrophobicContact CG-CD2 3.85Å; F14-L126 HydrophobicContact CG-CG 4.35Å; F14-L126 HydrophobicContact CZ-CD2 4.36Å; P17-L126 HydrophobicContact CB-CD2 4.03Å; P17-L126 HydrophobicContact CG-CB 4.25Å; P17-L126 HydrophobicContact CG-CD2 4.19Å; P17-L126 HydrophobicContact CG-CG 4.37Å; N25-L126 HydrophobicContact CB-CD2 3.6Å; N25-L126 VanDerWaalsContact CG-CD2 3.47Å; N123-L126 HydrophobicContact CB-CB 4.14Å; N123-L126 PolarHBondContact O-N 2.91Å; N123-L126 VanDerWaalsContact O-N 3.15Å; N123-L126 PolarHBondContact OD1-N 3.39Å; L126-A128 PolarHBondContact O-N 3.42Å; L126-I129 WeakPolarHBondContact O-CB 3.32Å; L126-I129 PolarHBondContact O-N 2.98Å; L126-I129 VanDerWaalsContact O-N 3.14Å; L126-V130 WeakPolarHBondContact O-CG2 3.36Å; L126-V130 PolarHBondContact O-N 3.48Å
127E81.3Confident80.4Confident70 Ų7077.2 Ų77.233%0.32737%0.37SS..Hα-helixtrans-59.5-45.1174.3-175173.1-150.400112P17 N123 I129 V130 V131P17-E127 HydrophobicContact CG-CB 4.45Å; N123-E127 PolarHBondContact O-N 3.04Å; E127-I129 VanDerWaalsContact C-N 3.31Å; E127-I129 PolarHBondContact O-N 3.48Å; E127-V130 PolarHBondContact O-N 2.88Å; E127-V131 WeakPolarHBondContact O-CG2 3.43Å; E127-V131 PolarHBondContact O-N 3.02Å
128A82.1Confident79.9Confident45 Ų4579.3 Ų79.337%0.37240%0.397SS..Hα-helixtrans-64.3-33.8174.600000112.9R124 L125 L126 R132R124-A128 WeakPolarHBondContact O-CB 3.23Å; R124-A128 PolarHBondContact O-N 2.98Å; L125-A128 PolarHBondContact O-N 3.49Å; L126-A128 PolarHBondContact O-N 3.42Å; A128-R132 WeakPolarHBondContact O-CG 3.29Å; A128-R132 PolarHBondContact O-N 2.99Å; A128-R132 VanDerWaalsContact O-N 3.11Å
129I85.6Confident79.7Confident54 Ų5472.4 Ų72.428%0.27738%0.375SS..Hα-helixtrans-67.8-44.5174.4-68.5162000110.5L5 L125 L126 E127 V131 R132 Y133L5-I129 HydrophobicContact CD2-CG2 3.78Å; L125-I129 HydrophobicContact CD1-CD1 4.24Å; L125-I129 HydrophobicContact CD1-CG1 4.46Å; L125-I129 HydrophobicContact CG-CD1 3.94Å; L125-I129 VanDerWaalsContact O-CG1 3.24Å; L125-I129 WeakPolarHBondContact O-CG1 3.4Å; L125-I129 PolarHBondContact O-N 2.9Å; L126-I129 WeakPolarHBondContact O-CB 3.32Å; L126-I129 PolarHBondContact O-N 2.98Å; L126-I129 VanDerWaalsContact O-N 3.14Å; E127-I129 VanDerWaalsContact C-N 3.31Å; E127-I129 PolarHBondContact O-N 3.48Å; I129-V131 PolarHBondContact O-N 2.87Å; I129-R132 VanDerWaalsContact CG1-NH2 3.33Å; I129-R132 PolarHBondContact O-N 3.07Å; I129-Y133 VanDerWaalsContact O-CB 3.32Å; I129-Y133 WeakPolarHBondContact O-CB 3.26Å; I129-Y133 PolarHBondContact O-N 3.46Å
130V84.3Confident79.1Confident5 Ų576 Ų763%0.0339%0.391CS..Hα-helixtrans-57.2-48.5175.5167.40000110.7L5 F13 F14 L126 E127 R132 Y133 Q134L5-V130 HydrophobicContact CB-CG2 4.18Å; L5-V130 HydrophobicContact CD2-CG2 4.06Å; F13-V130 HydrophobicContact CB-CG1 3.74Å; F13-V130 HydrophobicContact CD1-CG1 4.2Å; F13-V130 HydrophobicContact CG-CG1 4.18Å; F14-V130 HydrophobicContact CB-CG2 4.36Å; L126-V130 WeakPolarHBondContact O-CG2 3.36Å; L126-V130 PolarHBondContact O-N 3.48Å; E127-V130 PolarHBondContact O-N 2.88Å; V130-R132 PolarHBondContact O-N 3.35Å; V130-Y133 PolarHBondContact O-N 3.09Å; V130-Q134 HydrophobicContact CG1-CG 4.36Å; V130-Q134 WeakPolarHBondContact O-CB 3.21Å; V130-Q134 VanDerWaalsContact O-CG 3.3Å; V130-Q134 WeakPolarHBondContact O-CG 3.48Å; V130-Q134 PolarHBondContact O-N 2.93Å
131V79.9Confident77.7Confident54 Ų5478 Ų7833%0.32741%0.407SS..Hα-helixtrans-60.3-45.9179170.90000111.3E127 I129 Y133 Q134 Q135E127-V131 WeakPolarHBondContact O-CG2 3.43Å; E127-V131 PolarHBondContact O-N 3.02Å; I129-V131 PolarHBondContact O-N 2.87Å; V131-Y133 PolarHBondContact O-N 2.76Å; V131-Q134 PolarHBondContact O-N 3.38Å; V131-Q135 WeakPolarHBondContact O-CB 3.34Å; V131-Q135 VanDerWaalsContact O-CG 3.25Å; V131-Q135 WeakPolarHBondContact O-CG 3.38Å; V131-Q135 PolarHBondContact O-N 2.95Å
132R84.6Confident76.4Confident123 Ų12379.4 Ų79.446%0.46442%0.419SS..Hα-helixtrans-62.3-44176.1-73.4-171.5-58.2-134.80.8111.9A128 I129 V130 Q134 Q135 T136A128-R132 WeakPolarHBondContact O-CG 3.29Å; A128-R132 PolarHBondContact O-N 2.99Å; A128-R132 VanDerWaalsContact O-N 3.11Å; I129-R132 VanDerWaalsContact CG1-NH2 3.33Å; I129-R132 PolarHBondContact O-N 3.07Å; V130-R132 PolarHBondContact O-N 3.35Å; R132-Q134 PolarHBondContact O-N 3.05Å; R132-Q135 PolarHBondContact O-N 2.88Å; R132-T136 PolarHBondContact O-N 2.83Å; R132-T136 PolarHBondContact O-OG1 3.38Å
133Y84.2Confident74.8Confident24 Ų2476.9 Ų76.99%0.09443%0.426CS..Hα-helixtrans-61.6-42.8179.3-176.4-100.6000112.2M1 E2 L5 F13 I129 V130 V131 T136 R137M1-Y133 HydrophobicContact CB-CE2 4.41Å; M1-Y133 HydrophobicContact CG-CD2 4.2Å; M1-Y133 HydrophobicContact CG-CE2 3.84Å; M1-Y133 HydrophobicContact SD-CD2 3.67Å; M1-Y133 HydrophobicContact SD-CE2 3.59Å; M1-Y133 VanDerWaalsContact SD-CE2 3.59Å; E2-Y133 WeakPolarHBondContact CB-OH 3.3Å; E2-Y133 HydrophobicContact CG-CE1 4.32Å; L5-Y133 HydrophobicContact CD1-CD1 3.56Å; L5-Y133 HydrophobicContact CD1-CD2 3.85Å; L5-Y133 HydrophobicContact CD1-CE1 4.06Å; L5-Y133 HydrophobicContact CD1-CE2 4.32Å; L5-Y133 HydrophobicContact CD1-CG 3.42Å; L5-Y133 VanDerWaalsContact CD1-CG 3.42Å; F13-Y133 AromaticContact CE1-CD1 3.99Å; F13-Y133 HydrophobicContact CE1-CD1 3.99Å; F13-Y133 HydrophobicContact CE1-CE1 4Å; F13-Y133 HydrophobicContact CZ-CD1 4.32Å; F13-Y133 HydrophobicContact CZ-CE1 4.15Å; I129-Y133 VanDerWaalsContact O-CB 3.32Å; I129-Y133 WeakPolarHBondContact O-CB 3.26Å; I129-Y133 PolarHBondContact O-N 3.46Å; V130-Y133 PolarHBondContact O-N 3.09Å; V131-Y133 PolarHBondContact O-N 2.76Å; Y133-T136 PolarHBondContact O-N 3.39Å; Y133-R137 PolarHBondContact O-N 3.49Å; Y133-R137 PolarHBondContact OH-NE 3.22Å; Y133-R137 PolarHBondContact OH-NH1 2.76Å
134Q81.1Confident73Confident25 Ų2578.6 Ų78.612%0.11744%0.44CS..Hα-helixtrans-65.5-41.9176.2-72.9174.6-30.300112.1F13 V130 V131 R132 R137 G138 I139F13-Q134 HydrophobicContact CD2-CG 4.43Å; F13-Q134 HydrophobicContact CE2-CG 4.44Å; V130-Q134 HydrophobicContact CG1-CG 4.36Å; V130-Q134 WeakPolarHBondContact O-CB 3.21Å; V130-Q134 VanDerWaalsContact O-CG 3.3Å; V130-Q134 WeakPolarHBondContact O-CG 3.48Å; V130-Q134 PolarHBondContact O-N 2.93Å; V131-Q134 PolarHBondContact O-N 3.38Å; R132-Q134 PolarHBondContact O-N 3.05Å; Q134-R137 PolarHBondContact O-N 2.93Å; Q134-G138 PolarHBondContact O-N 2.56Å; Q134-I139 HydrophobicContact CB-CB 4.26Å; Q134-I139 HydrophobicContact CG-CB 4.36Å; Q134-I139 PolarHBondContact O-N 2.79Å
135Q77.1Confident71.3Confident132 Ų13278 Ų7862%0.61746%0.457SS*.Hα-helixtrans-63.5-44.3175.7-74.3172.3-5.500112.3V131 R132 R137 G138V131-Q135 WeakPolarHBondContact O-CB 3.34Å; V131-Q135 VanDerWaalsContact O-CG 3.25Å; V131-Q135 WeakPolarHBondContact O-CG 3.38Å; V131-Q135 PolarHBondContact O-N 2.95Å; R132-Q135 PolarHBondContact O-N 2.88Å; Q135-R137 VanDerWaalsContact C-N 3.26Å; Q135-R137 PolarHBondContact O-N 2.78Å; Q135-G138 PolarHBondContact O-N 3.1Å
136T78.6Confident69.8Low125 Ų12576.6 Ų76.677%0.76746%0.457SS*.Hα-helixtrans-65.8-28.6179-55.10000112.7R132 Y133R132-T136 PolarHBondContact O-N 2.83Å; R132-T136 PolarHBondContact O-OG1 3.38Å; Y133-T136 PolarHBondContact O-N 3.39Å
137R76.2Confident68.6Low148 Ų14877.4 Ų77.456%0.55847%0.466SS*.THydrogen-bonded Turntrans-98.22.4178.8-73.7-170.1159.2-161.8-4.5114.6E2 Y133 Q134 Q135 I139E2-R137 IonicContact OE2-NH1 3.84Å; E2-R137 PolarHBondContact OE2-NH1 3.38Å; E2-R137 VanDerWaalsContact OE2-NH1 3.12Å; Y133-R137 PolarHBondContact O-N 3.49Å; Y133-R137 PolarHBondContact OH-NE 3.22Å; Y133-R137 PolarHBondContact OH-NH1 2.76Å; Q134-R137 PolarHBondContact O-N 2.93Å; Q135-R137 VanDerWaalsContact C-N 3.26Å; Q135-R137 PolarHBondContact O-N 2.78Å; R137-I139 VanDerWaalsContact C-N 3.3Å; R137-I139 HydrophobicContact CB-CD1 4.09Å; R137-I139 HydrophobicContact CB-CG1 4.05Å; R137-I139 PolarHBondContact O-N 2.98Å
138G63.2Low68.2Low65 Ų6576.9 Ų76.967%0.6747%0.467SS*.THydrogen-bonded Turntrans67.324.8179.800000114.8Q134 Q135 P140Q134-G138 PolarHBondContact O-N 2.56Å; Q135-G138 PolarHBondContact O-N 3.1Å; G138-P140 WeakPolarHBondContact O-CD 3.49Å
139I68.6Low68.1Low61 Ų6180.5 Ų80.531%0.31347%0.474SS..  trans-83.7118.6179.8-56.9174.1000108.6F13 Q134 R137 C141F13-I139 HydrophobicContact CE2-CD1 4.24Å; F13-I139 HydrophobicContact CZ-CD1 4.22Å; Q134-I139 HydrophobicContact CB-CB 4.26Å; Q134-I139 HydrophobicContact CG-CB 4.36Å; Q134-I139 PolarHBondContact O-N 2.79Å; R137-I139 VanDerWaalsContact C-N 3.3Å; R137-I139 HydrophobicContact CB-CD1 4.09Å; R137-I139 HydrophobicContact CB-CG1 4.05Å; R137-I139 PolarHBondContact O-N 2.98Å; I139-C141 PolarHBondContact O-N 3.38Å
140P56.9Low68Low114 Ų11478.1 Ų78.174%0.7446%0.463SS*.  trans-67125.9-17622.3-29.8000112.6G138 S142G138-P140 WeakPolarHBondContact O-CD 3.49Å; P140-S142 PolarHBondContact O-N 2.77Å
141C52.6Low67.8Low68 Ų6883.2 Ų83.246%0.45949%0.486SS..  trans-68.1110.9174.6-69.80000110.6I139 A143I139-C141 PolarHBondContact O-N 3.38Å; C141-A143 PolarHBondContact O-N 2.92Å; C141-A143 VanDerWaalsContact O-N 3.09Å
142S51.1Low67.7Low100 Ų10083.8 Ų83.870%0.69949%0.487SS*.SBendtrans-79.824.1-178.847.30000115.4R15 P140R15-S142 PolarHBondContact NH2-OG 3.49Å; P140-S142 PolarHBondContact O-N 2.77Å
143A49Very low67.6Low76 Ų7679.5 Ų79.563%0.62848%0.475SS*.  trans-159.885.617700000113.7C141C141-A143 PolarHBondContact O-N 2.92Å; C141-A143 VanDerWaalsContact O-N 3.09Å
144S45.4Very low66.4Low72 Ų7285.6 Ų85.650%0.50351%0.51SS..  trans-123.2117.6155.135.50000108.7S146S144-S146 PolarHBondContact O-N 3.32Å; S144-S146 VanDerWaalsContact O-N 3.13Å
145P47.2Very low65.2Low147 Ų14795.8 Ų95.896%0.95555%0.547SS*.THydrogen-bonded Turntrans-68.6-7.9-174.3-17.930000115.2
146S51.8Low64.4Low84 Ų8496.3 Ų96.359%0.58755%0.554SS**THydrogen-bonded Turntrans-108.810.6-171.862.60000114.3S144S144-S146 PolarHBondContact O-N 3.32Å; S144-S146 VanDerWaalsContact O-N 3.13Å
147A59.6Low63.9Low33 Ų3392.9 Ų92.927%0.27353%0.534SS..PPolyproline II helixtrans-79.7119.617800000110.3K149 V159A147-K149 PolarHBondContact O-N 3.11Å; A147-V159 HydrophobicContact CB-CB 4.49Å; A147-V159 HydrophobicContact CB-CG1 3.8Å; A147-V159 HydrophobicContact CB-CG2 3.85Å
148V72.7Confident63.9Low59 Ų5990.2 Ų90.236%0.35853%0.534SS..PPolyproline II helixtrans-60.6125.6179.6-176.10000109.1A160 Y170V148-A160 WeakPolarHBondContact O-CB 3.23Å; V148-A160 PolarHBondContact O-N 3.02Å; V148-Y170 HydrophobicContact CB-CD1 4.35Å; V148-Y170 HydrophobicContact CG1-CD1 3.63Å; V148-Y170 HydrophobicContact CG1-CD2 4.08Å; V148-Y170 HydrophobicContact CG1-CE1 3.92Å; V148-Y170 HydrophobicContact CG1-CE2 4.37Å; V148-Y170 HydrophobicContact CG1-CG 3.69Å
149K81.1Confident64.5Low121 Ų12190.8 Ų90.853%0.52652%0.524SS..BIsolated β-bridgetrans-89.1153.7-176.8-62.4-170.9177.7-174.20111.4A147 Q151 P157A147-K149 PolarHBondContact O-N 3.11Å; K149-Q151 PolarHBondContact O-N 3.46Å; K149-P157 HydrophobicContact CB-CB 4.14Å; K149-P157 HydrophobicContact CD-CB 4.35Å; K149-P157 HydrophobicContact CD-CG 3.98Å
150C82.6Confident64.8Low4 Ų488.1 Ų88.13%0.02751%0.512CS..PPolyproline II helixtrans-63.6132.5174.6-179.50000110.7P157 V158 Y170 C172C150-P157 WeakPolarHBondContact O-CB 3.29Å; C150-V158 WeakPolarHBondContact CB-O 3.15Å; C150-V158 PolarHBondContact N-O 3.36Å; C150-Y170 WeakPolarHBondContact CA-O 3.42Å; C150-Y170 PolarHBondContact SG-O 2.89Å; C150-C172 HydrophobicContact CB-CB 3.77Å; C150-C172 PolarHBondContact SG-N 3.25Å
151Q79.8Confident65.8Low113 Ų11386 Ų8653%0.52850%0.497SS..THydrogen-bonded Turntrans-89.5-1.8-173.9-68.2169.4-29.900113.7K149 Y170K149-Q151 PolarHBondContact O-N 3.46Å; Q151-Y170 PolarHBondContact N-O 3.31Å; Q151-Y170 VanDerWaalsContact OE1-N 3.13Å
152L79.1Confident67.1Low65 Ų6584.2 Ų84.234%0.3448%0.483SS..THydrogen-bonded Turntrans-119.717.7-174.3-65.9175.4000113.6V169 Y171 C175 C179L152-V169 HydrophobicContact CD1-CG1 4.1Å; L152-V169 HydrophobicContact CG-CG1 4.27Å; L152-Y171 HydrophobicContact CD1-CD1 3.63Å; L152-Y171 HydrophobicContact CD1-CE1 3.3Å; L152-C175 HydrophobicContact CB-CB 4.26Å; L152-C179 HydrophobicContact CD1-CB 4.16Å
153C81.3Confident68.6Low33 Ų3380.5 Ų80.522%0.22346%0.455CS..  trans-97113.6173.3-62.80000109.9R155 P157 C175C153-R155 VanDerWaalsContact C-N 3.31Å; C153-R155 PolarHBondContact O-N 2.92Å; C153-P157 HydrophobicContact CB-CB 4.21Å; C153-C175 VanDerWaalsContact SG-SG 3.6Å
154D59.7Low70.2Confident152 Ų15276.9 Ų76.981%0.81343%0.425SS*.SBendtrans-68.2-25.4-174.5-65.6-43.3000114.2
155R55.9Low71.7Confident239 Ų23977.6 Ų77.690%0.90242%0.421SS*.SBendtrans-143.5120.7172.9-67.9-170.2177.3-149.1-1.3110.8C153C153-R155 VanDerWaalsContact C-N 3.31Å; C153-R155 PolarHBondContact O-N 2.92Å
156N59.9Low73.2Confident144 Ų14475.1 Ų75.177%0.7740%0.397SS*.SBendtrans69.379178.5-145.618.3000115.2V158N156-V158 PolarHBondContact O-N 3.43Å
157P67.7Low74.5Confident52 Ų5273.4 Ų73.434%0.33838%0.384SS..PPolyproline II helixtrans-70.5124-173.827.1-33000112.8K149 C150 C153K149-P157 HydrophobicContact CB-CB 4.14Å; K149-P157 HydrophobicContact CD-CB 4.35Å; K149-P157 HydrophobicContact CD-CG 3.98Å; C150-P157 WeakPolarHBondContact O-CB 3.29Å; C153-P157 HydrophobicContact CB-CB 4.21Å
158V76.8Confident75.4Confident93 Ų9377.1 Ų77.156%0.56440%0.399SS*.PPolyproline II helixtrans-82.8156.6176.9-170.10000109.9C150 N156 A160C150-V158 WeakPolarHBondContact CB-O 3.15Å; C150-V158 PolarHBondContact N-O 3.36Å; N156-V158 PolarHBondContact O-N 3.43Å; V158-A160 PolarHBondContact O-N 3.48Å
159V75.4Confident75.8Confident76 Ų7676 Ų7646%0.46139%0.392SS..BIsolated β-bridgetrans-54.8131.3176.7178.30000110.7A147A147-V159 HydrophobicContact CB-CB 4.49Å; A147-V159 HydrophobicContact CB-CG1 3.8Å; A147-V159 HydrophobicContact CB-CG2 3.85Å
160A75.3Confident75.9Confident6 Ų672 Ų725%0.0537%0.374CS..PPolyproline II helixtrans-71134.7177.700000110.3V148 V158 Y170 Y171V148-A160 WeakPolarHBondContact O-CB 3.23Å; V148-A160 PolarHBondContact O-N 3.02Å; V158-A160 PolarHBondContact O-N 3.48Å; A160-Y170 HydrophobicContact CB-CD1 4.46Å; A160-Y171 CarbonylContact C-O 3.46Å; A160-Y171 WeakPolarHBondContact CA-O 3.37Å
161T77.9Confident75.8Confident70 Ų7072.5 Ų72.543%0.42938%0.375SS..  trans-96.4-26.7179.546.20000111.9Y171 N173 P194T161-Y171 PolarHBondContact N-O 2.76Å; T161-Y171 PolarHBondContact OG1-O 2.98Å; T161-N173 PolarHBondContact OG1-N 2.92Å; T161-N173 VanDerWaalsContact OG1-N 3.11Å; T161-P194 WeakPolarHBondContact O-CD 3.38Å
162V79.3Confident76Confident29 Ų2967.6 Ų67.618%0.17635%0.354CS..EExtended strand (participates in β ladder)trans-144.8151.7-177.7-640000111.1Y171 Q176 L191V162-Y171 PolarHBondContact N-O 2.68Å; V162-Y171 PolarHBondContact O-N 3.04Å; V162-Q176 HydrophobicContact CG2-CB 4.17Å; V162-Q176 HydrophobicContact CG2-CG 3.92Å; V162-L191 HydrophobicContact CB-CB 4.45Å; V162-L191 HydrophobicContact CG2-CD2 4.29Å
163M83.9Confident76Confident22 Ų2268.7 Ų68.711%0.10836%0.36CS..EExtended strand (participates in β ladder)trans-119.5137.1170.6-176.4-170.271.700108.4E165 V169 Y170 L191 V192M163-E165 HydrophobicContact CE-CG 4.41Å; M163-V169 WeakPolarHBondContact CA-O 3.43Å; M163-Y170 HydrophobicContact CB-CD1 3.72Å; M163-Y170 HydrophobicContact CB-CE1 3.74Å; M163-Y170 HydrophobicContact CB-CG 4.43Å; M163-Y170 HydrophobicContact CG-CD1 3.88Å; M163-Y170 HydrophobicContact CG-CD2 4.4Å; M163-Y170 HydrophobicContact CG-CE1 3.66Å; M163-Y170 HydrophobicContact CG-CE2 4.19Å; M163-Y170 HydrophobicContact CG-CG 4.27Å; M163-Y170 HydrophobicContact SD-CD1 4.31Å; M163-Y170 HydrophobicContact SD-CE1 3.48Å; M163-Y170 WeakPolarHBondContact SD-CE1 3.26Å; M163-Y170 HydrophobicContact SD-CE2 3.98Å; M163-Y170 PolarHBondContact SD-OH 3.35Å; M163-L191 CarbonylContact O-C 3.56Å; M163-L191 WeakPolarHBondContact O-CA 3.27Å; M163-V192 HydrophobicContact CE-CG2 3.67Å; M163-V192 PolarHBondContact N-O 3.38Å; M163-V192 PolarHBondContact O-N 3.03Å
164C81.3Confident75.9Confident0 Ų070.6 Ų70.60%038%0.378CS..EExtended strand (participates in β ladder)trans-87.1118.9170.6178.50000109.6Q166 C167 D168 V169 Y171 H180 H189 L191C164-Q166 PolarHBondContact O-N 3.5Å; C164-C167 HydrophobicContact CB-CB 3.93Å; C164-C167 PolarHBondContact O-N 3Å; C164-C167 PolarHBondContact SG-N 3.47Å; C164-C167 VanDerWaalsContact SG-N 3.38Å; C164-C167 VanDerWaalsContact SG-SG 3.68Å; C164-D168 WeakPolarHBondContact O-CA 3.45Å; C164-D168 PolarHBondContact O-N 2.87Å; C164-V169 PolarHBondContact N-O 3.04Å; C164-V169 VanDerWaalsContact N-O 3.09Å; C164-Y171 HydrophobicContact CB-CE2 3.78Å; C164-H180 PolarHBondContact SG-NE2 2.91Å; C164-H180 VanDerWaalsContact SG-NE2 3.43Å; C164-H189 VanDerWaalsContact SG-CB 3.6Å; C164-L191 HydrophobicContact CB-CD2 3.65Å
165E78.2Confident76.9Confident88 Ų8863.8 Ų63.841%0.41134%0.342SS..THydrogen-bonded Turntrans-62.8-32.4-178.9-66-177.2129.600112.1M163 R190 V192M163-E165 HydrophobicContact CE-CG 4.41Å; E165-R190 PolarHBondContact N-O 3.38Å; E165-R190 IonicContact OE1-NH1 2.91Å; E165-R190 PolarHBondContact OE1-NH1 3.25Å; E165-R190 WeakPolarHBondContact OE2-CB 3.26Å; E165-R190 WeakPolarHBondContact OE2-CD 2.96Å; E165-R190 WeakPolarHBondContact OE2-CG 3.34Å; E165-R190 IonicContact OE2-CZ 2.99Å; E165-R190 IonicContact OE2-NE 3.92Å; E165-R190 IonicContact OE2-NH1 3.14Å; E165-R190 PolarHBondContact OE2-NH1 3.01Å; E165-V192 VanDerWaalsContact CD-CG1 3.47Å; E165-V192 HydrophobicContact CG-CB 4.3Å; E165-V192 HydrophobicContact CG-CG1 3.85Å; E165-V192 HydrophobicContact CG-CG2 3.49Å; E165-V192 VanDerWaalsContact CG-CG2 3.49Å
166Q78.8Confident78.1Confident95 Ų9554 Ų5444%0.44431%0.307SS..THydrogen-bonded Turntrans-86.2-25.6-176.5-62.978.47.600113.1C164 H189 R190C164-Q166 PolarHBondContact O-N 3.5Å; Q166-H189 HydrophobicContact CB-CB 4.35Å; Q166-H189 HydrophobicContact CG-CB 4.45Å; Q166-R190 VanDerWaalsContact CD-N 3.33Å; Q166-R190 PolarHBondContact OE1-O 2.87Å
167C79.2Confident79Confident47 Ų4753.6 Ų53.632%0.31830%0.3SS..THydrogen-bonded Turntrans-99.9-15.7177.3-63.20000113C164 V169 H189C164-C167 HydrophobicContact CB-CB 3.93Å; C164-C167 PolarHBondContact O-N 3Å; C164-C167 PolarHBondContact SG-N 3.47Å; C164-C167 VanDerWaalsContact SG-N 3.38Å; C164-C167 VanDerWaalsContact SG-SG 3.68Å; C167-V169 WeakPolarHBondContact O-CG2 3.47Å; C167-V169 PolarHBondContact O-N 3.47Å; C167-H189 PolarHBondContact SG-CE1 2.92Å; C167-H189 PolarHBondContact SG-ND1 3.38Å
168D78.7Confident79.5Confident111 Ų11159.6 Ų59.659%0.59432%0.316SS*.THydrogen-bonded Turntrans5139.4-173.9-160.128.6000113.8C164C164-D168 WeakPolarHBondContact O-CA 3.45Å; C164-D168 PolarHBondContact O-N 2.87Å
169V79.9Confident79.3Confident35 Ų3558 Ų5821%0.21231%0.308CS..EExtended strand (participates in β ladder)trans-120.9141.4-179.7174.60000110.4L152 M163 C164 C167 Y171L152-V169 HydrophobicContact CD1-CG1 4.1Å; L152-V169 HydrophobicContact CG-CG1 4.27Å; M163-V169 WeakPolarHBondContact CA-O 3.43Å; C164-V169 PolarHBondContact N-O 3.04Å; C164-V169 VanDerWaalsContact N-O 3.09Å; C167-V169 WeakPolarHBondContact O-CG2 3.47Å; C167-V169 PolarHBondContact O-N 3.47Å; V169-Y171 HydrophobicContact CB-CE1 4.49Å; V169-Y171 HydrophobicContact CB-CE2 3.82Å; V169-Y171 HydrophobicContact CG1-CD1 4.36Å; V169-Y171 HydrophobicContact CG1-CD2 4.4Å; V169-Y171 HydrophobicContact CG1-CE1 3.82Å; V169-Y171 HydrophobicContact CG1-CE2 3.86Å; V169-Y171 VanDerWaalsContact O-CD2 3.24Å; V169-Y171 WeakPolarHBondContact O-CD2 3.45Å; V169-Y171 WeakPolarHBondContact O-CE2 3.45Å
170Y84.1Confident79.1Confident39 Ų3954.5 Ų54.515%0.15329%0.287CS..EExtended strand (participates in β ladder)trans-100.1121.8-179.1-64.6-93.6000111.8V148 C150 Q151 A160 M163 P194V148-Y170 HydrophobicContact CB-CD1 4.35Å; V148-Y170 HydrophobicContact CG1-CD1 3.63Å; V148-Y170 HydrophobicContact CG1-CD2 4.08Å; V148-Y170 HydrophobicContact CG1-CE1 3.92Å; V148-Y170 HydrophobicContact CG1-CE2 4.37Å; V148-Y170 HydrophobicContact CG1-CG 3.69Å; C150-Y170 WeakPolarHBondContact CA-O 3.42Å; C150-Y170 PolarHBondContact SG-O 2.89Å; Q151-Y170 PolarHBondContact N-O 3.31Å; Q151-Y170 VanDerWaalsContact OE1-N 3.13Å; A160-Y170 HydrophobicContact CB-CD1 4.46Å; M163-Y170 HydrophobicContact CB-CD1 3.72Å; M163-Y170 HydrophobicContact CB-CE1 3.74Å; M163-Y170 HydrophobicContact CB-CG 4.43Å; M163-Y170 HydrophobicContact CG-CD1 3.88Å; M163-Y170 HydrophobicContact CG-CD2 4.4Å; M163-Y170 HydrophobicContact CG-CE1 3.66Å; M163-Y170 HydrophobicContact CG-CE2 4.19Å; M163-Y170 HydrophobicContact CG-CG 4.27Å; M163-Y170 HydrophobicContact SD-CD1 4.31Å; M163-Y170 HydrophobicContact SD-CE1 3.48Å; M163-Y170 WeakPolarHBondContact SD-CE1 3.26Å; M163-Y170 HydrophobicContact SD-CE2 3.98Å; M163-Y170 PolarHBondContact SD-OH 3.35Å; Y170-P194 HydrophobicContact CD1-CB 3.87Å; Y170-P194 HydrophobicContact CE1-CB 3.71Å
171Y80Confident78.9Confident13 Ų1357.1 Ų57.15%0.05130%0.303CS..EExtended strand (participates in β ladder)trans-114.2137.4-174.9-52.5-93.7000111.4L152 A160 T161 V162 C164 V169 Q176 H180L152-Y171 HydrophobicContact CD1-CD1 3.63Å; L152-Y171 HydrophobicContact CD1-CE1 3.3Å; A160-Y171 CarbonylContact C-O 3.46Å; A160-Y171 WeakPolarHBondContact CA-O 3.37Å; T161-Y171 PolarHBondContact N-O 2.76Å; T161-Y171 PolarHBondContact OG1-O 2.98Å; V162-Y171 PolarHBondContact N-O 2.68Å; V162-Y171 PolarHBondContact O-N 3.04Å; C164-Y171 HydrophobicContact CB-CE2 3.78Å; V169-Y171 HydrophobicContact CB-CE1 4.49Å; V169-Y171 HydrophobicContact CB-CE2 3.82Å; V169-Y171 HydrophobicContact CG1-CD1 4.36Å; V169-Y171 HydrophobicContact CG1-CD2 4.4Å; V169-Y171 HydrophobicContact CG1-CE1 3.82Å; V169-Y171 HydrophobicContact CG1-CE2 3.86Å; V169-Y171 VanDerWaalsContact O-CD2 3.24Å; V169-Y171 WeakPolarHBondContact O-CD2 3.45Å; V169-Y171 WeakPolarHBondContact O-CE2 3.45Å; Y171-Q176 HydrophobicContact CG-CB 4.3Å; Y171-H180 HydrophobicContact CE1-CB 4.18Å
172C84.2Confident78.3Confident11 Ų1158.7 Ų58.77%0.07432%0.317CS..  trans-75.1160.4154.472.80000108.5C150 A174 C175 Q176C150-C172 HydrophobicContact CB-CB 3.77Å; C150-C172 PolarHBondContact SG-N 3.25Å; C172-A174 PolarHBondContact O-N 2.88Å; C172-A174 VanDerWaalsContact O-N 3.16Å; C172-C175 PolarHBondContact O-N 2.86Å; C172-C175 VanDerWaalsContact O-N 3.1Å; C172-C175 PolarHBondContact SG-N 2.85Å; C172-C175 VanDerWaalsContact SG-N 3.43Å; C172-C175 VanDerWaalsContact SG-SG 3.61Å; C172-Q176 PolarHBondContact O-N 2.88Å
173N78.4Confident77.8Confident88 Ų8867.6 Ų67.647%0.47135%0.348SS..Hα-helixtrans-55.9-37.9-174.6-146.8-15.4000112.7T161 Q177T161-N173 PolarHBondContact OG1-N 2.92Å; T161-N173 VanDerWaalsContact OG1-N 3.11Å; N173-Q177 WeakPolarHBondContact O-CG 3.33Å; N173-Q177 PolarHBondContact O-N 3.36Å
174A79.8Confident77.1Confident73 Ų7369 Ų6960%0.60337%0.367SS*.Hα-helixtrans-68.2-45.217700000113.1C172 Q176 Q177 R178C172-A174 PolarHBondContact O-N 2.88Å; C172-A174 VanDerWaalsContact O-N 3.16Å; A174-Q176 VanDerWaalsContact C-N 3.34Å; A174-Q177 PolarHBondContact O-N 3.41Å; A174-R178 PolarHBondContact O-N 3.4Å
175C79.8Confident76.3Confident9 Ų975.1 Ų75.16%0.06141%0.407CS..Hα-helixtrans-70.8-30.3177.7-70.90000112.2L152 C153 C172 R178 C179L152-C175 HydrophobicContact CB-CB 4.26Å; C153-C175 VanDerWaalsContact SG-SG 3.6Å; C172-C175 PolarHBondContact O-N 2.86Å; C172-C175 VanDerWaalsContact O-N 3.1Å; C172-C175 PolarHBondContact SG-N 2.85Å; C172-C175 VanDerWaalsContact SG-N 3.43Å; C172-C175 VanDerWaalsContact SG-SG 3.61Å; C175-R178 PolarHBondContact O-N 3.34Å; C175-C179 VanDerWaalsContact O-CB 3.32Å; C175-C179 WeakPolarHBondContact O-CB 3.39Å; C175-C179 PolarHBondContact O-N 2.97Å
176Q82.2Confident76.1Confident34 Ų3473.7 Ų73.716%0.15940%0.402CS..Hα-helixtrans-62-50.7172.9-176.5-131.8-35.300110.5V162 Y171 C172 A174 R178 H180 L191V162-Q176 HydrophobicContact CG2-CB 4.17Å; V162-Q176 HydrophobicContact CG2-CG 3.92Å; Y171-Q176 HydrophobicContact CG-CB 4.3Å; C172-Q176 PolarHBondContact O-N 2.88Å; A174-Q176 VanDerWaalsContact C-N 3.34Å; Q176-R178 VanDerWaalsContact C-N 3.26Å; Q176-R178 PolarHBondContact O-N 2.84Å; Q176-H180 HydrophobicContact CG-CB 4.48Å; Q176-H180 CarbonylContact O-C 3.57Å; Q176-H180 WeakPolarHBondContact O-CA 3.44Å; Q176-H180 WeakPolarHBondContact O-CB 3.41Å; Q176-H180 PolarHBondContact O-N 2.85Å; Q176-H180 VanDerWaalsContact O-O 3.05Å; Q176-L191 HydrophobicContact CG-CD1 3.95Å
177Q77.6Confident75.7Confident135 Ų13571.6 Ų71.663%0.63140%0.401SS*.Hα-helixtrans-65-32.5-178.3-68.8-179.29.800112.7N173 A174N173-Q177 WeakPolarHBondContact O-CG 3.33Å; N173-Q177 PolarHBondContact O-N 3.36Å; A174-Q177 PolarHBondContact O-N 3.41Å
178R78.5Confident75.2Confident178 Ų17878.7 Ų78.767%0.67243%0.426SS*.Hα-helixtrans-80.3-40.7-178.2-164.2174.974.6-178.36.1113.5A174 C175 Q176A174-R178 PolarHBondContact O-N 3.4Å; C175-R178 PolarHBondContact O-N 3.34Å; Q176-R178 VanDerWaalsContact C-N 3.26Å; Q176-R178 PolarHBondContact O-N 2.84Å
179C72.2Confident75.3Confident58 Ų5876 Ų7639%0.39241%0.41SS..Hα-helixtrans-110.6-14.9-170.7-59.50000113.3L152 C175L152-C179 HydrophobicContact CD1-CB 4.16Å; C175-C179 VanDerWaalsContact O-CB 3.32Å; C175-C179 WeakPolarHBondContact O-CB 3.39Å; C175-C179 PolarHBondContact O-N 2.97Å
180H72.6Confident75.2Confident4 Ų481.5 Ų81.52%0.01943%0.427CS..SBendtrans-137.658.3178.5-162.2-60.5000111.6C164 Y171 Q176 L186 H189C164-H180 PolarHBondContact SG-NE2 2.91Å; C164-H180 VanDerWaalsContact SG-NE2 3.43Å; Y171-H180 HydrophobicContact CE1-CB 4.18Å; Q176-H180 HydrophobicContact CG-CB 4.48Å; Q176-H180 CarbonylContact O-C 3.57Å; Q176-H180 WeakPolarHBondContact O-CA 3.44Å; Q176-H180 WeakPolarHBondContact O-CB 3.41Å; Q176-H180 PolarHBondContact O-N 2.85Å; Q176-H180 VanDerWaalsContact O-O 3.05Å; H180-L186 PolarHBondContact CE1-O 2.87Å; H180-H189 AromaticContact NE2-CG 3.9Å; H180-H189 AromaticContact NE2-ND1 3.58Å
181P70.8Confident75Confident61 Ų6182.4 Ų82.440%0.39643%0.434SS..  trans-64.7150.6179.928.1-34.3000111.3R183P181-R183 PolarHBondContact O-N 2.94Å
182S65.3Low74.8Confident102 Ų10282.9 Ų82.971%0.71344%0.438SS*.SBendtrans-72.116.2-178.654.80000114.5A187S182-A187 WeakPolarHBondContact O-CB 3.44Å
183R67.6Low74.1Confident217 Ų21787.3 Ų87.382%0.81947%0.467SS*.SBendtrans-136.3146.2-178.1-65.4-176.4171.3-175.1-3109.2P181P181-R183 PolarHBondContact O-N 2.94Å
184G69.1Low73.7Confident51 Ų5184.6 Ų84.653%0.52645%0.454SS..SBendtrans93.5-164.4-176.200000113.2L186 A187G184-L186 PolarHBondContact O-N 3.24Å; G184-L186 VanDerWaalsContact O-N 3.1Å; G184-A187 VanDerWaalsContact O-CB 3.27Å; G184-A187 WeakPolarHBondContact O-CB 3.18Å; G184-A187 PolarHBondContact O-N 2.78Å
185P65.8Low72.6Confident128 Ų12885.1 Ų85.183%0.83145%0.451SS*.G310 helixtrans-58.3-29.6-169.1-24.333000114.4
186L72.9Confident71.5Confident59 Ų5989 Ų8931%0.30948%0.479SS..G310 helixtrans-89.10.5-177.1-55.1175.6000113.5H180 G184 K188 H189H180-L186 PolarHBondContact CE1-O 2.87Å; G184-L186 PolarHBondContact O-N 3.24Å; G184-L186 VanDerWaalsContact O-N 3.1Å; L186-K188 PolarHBondContact O-N 2.96Å; L186-H189 WeakPolarHBondContact CD2-CE1 3.47Å; L186-H189 VanDerWaalsContact O-CB 3.31Å; L186-H189 WeakPolarHBondContact O-CB 3.47Å; L186-H189 PolarHBondContact O-N 3.21Å
187A71.8Confident69.8Low50 Ų5092.7 Ų92.741%0.41351%0.505SS..G310 helixtrans-64.8-21.7-178.700000113.6S182 G184 H189S182-A187 WeakPolarHBondContact O-CB 3.44Å; G184-A187 VanDerWaalsContact O-CB 3.27Å; G184-A187 WeakPolarHBondContact O-CB 3.18Å; G184-A187 PolarHBondContact O-N 2.78Å; A187-H189 VanDerWaalsContact C-N 3.31Å
188K68.8Low68.3Low196 Ų19693.6 Ų93.685%0.85252%0.515SS*.G310 helixtrans-84.5-5176.4-64-176.3-179.1179.80113.1L186L186-K188 PolarHBondContact O-N 2.96Å
189H80.5Confident66.7Low55 Ų5594.2 Ų94.226%0.25553%0.525SS..SBendtrans-77.4141178.1-68.4-166.3000110.8C164 Q166 C167 H180 L186 A187C164-H189 VanDerWaalsContact SG-CB 3.6Å; Q166-H189 HydrophobicContact CB-CB 4.35Å; Q166-H189 HydrophobicContact CG-CB 4.45Å; C167-H189 PolarHBondContact SG-CE1 2.92Å; C167-H189 PolarHBondContact SG-ND1 3.38Å; H180-H189 AromaticContact NE2-CG 3.9Å; H180-H189 AromaticContact NE2-ND1 3.58Å; L186-H189 WeakPolarHBondContact CD2-CE1 3.47Å; L186-H189 VanDerWaalsContact O-CB 3.31Å; L186-H189 WeakPolarHBondContact O-CB 3.47Å; L186-H189 PolarHBondContact O-N 3.21Å; A187-H189 VanDerWaalsContact C-N 3.31Å
190R77Confident64.9Low151 Ų15196.3 Ų96.357%0.5755%0.547SS*.  trans-93.9114.8-177.4-168.9164.4-179.4-106.36.9109.1E165 Q166 V192E165-R190 PolarHBondContact N-O 3.38Å; E165-R190 IonicContact OE1-NH1 2.91Å; E165-R190 PolarHBondContact OE1-NH1 3.25Å; E165-R190 WeakPolarHBondContact OE2-CB 3.26Å; E165-R190 WeakPolarHBondContact OE2-CD 2.96Å; E165-R190 WeakPolarHBondContact OE2-CG 3.34Å; E165-R190 IonicContact OE2-CZ 2.99Å; E165-R190 IonicContact OE2-NE 3.92Å; E165-R190 IonicContact OE2-NH1 3.14Å; E165-R190 PolarHBondContact OE2-NH1 3.01Å; Q166-R190 VanDerWaalsContact CD-N 3.33Å; Q166-R190 PolarHBondContact OE1-O 2.87Å; R190-V192 HydrophobicContact CG-CG1 4.13Å
191L80.6Confident63.1Low58 Ų58101 Ų10130%0.30459%0.586SS.*EExtended strand (participates in β ladder)trans-90.8120.7173.8-66.4169.1000108.6V162 M163 C164 Q176V162-L191 HydrophobicContact CB-CB 4.45Å; V162-L191 HydrophobicContact CG2-CD2 4.29Å; M163-L191 CarbonylContact O-C 3.56Å; M163-L191 WeakPolarHBondContact O-CA 3.27Å; C164-L191 HydrophobicContact CB-CD2 3.65Å; Q176-L191 HydrophobicContact CG-CD1 3.95Å
192V75.3Confident61.3Low22 Ų22102.2 Ų102.213%0.13361%0.61CS.*EExtended strand (participates in β ladder)trans-118.7154.6178.2-62.40000110.4M163 E165 R190M163-V192 HydrophobicContact CE-CG2 3.67Å; M163-V192 PolarHBondContact N-O 3.38Å; M163-V192 PolarHBondContact O-N 3.03Å; E165-V192 VanDerWaalsContact CD-CG1 3.47Å; E165-V192 HydrophobicContact CG-CB 4.3Å; E165-V192 HydrophobicContact CG-CG1 3.85Å; E165-V192 HydrophobicContact CG-CG2 3.49Å; E165-V192 VanDerWaalsContact CG-CG2 3.49Å; R190-V192 HydrophobicContact CG-CG1 4.13Å
193P70.8Confident59.5Low104 Ų104101 Ų10168%0.67561%0.613SS**PPolyproline II helixtrans-60.3143.4172.1-2032000110.9
194P68.7Low57.7Low32 Ų3295.7 Ų95.721%0.20862%0.616CS.*PPolyproline II helixtrans-58.8137.6176.121.6-30.8000111T161 Y170 S196T161-P194 WeakPolarHBondContact O-CD 3.38Å; Y170-P194 HydrophobicContact CD1-CB 3.87Å; Y170-P194 HydrophobicContact CE1-CB 3.71Å; P194-S196 PolarHBondContact O-N 3.44Å
195P58Low55.7Low83 Ų8398.4 Ų98.454%0.53963%0.634SS.*PPolyproline II helixtrans-62.9126-176.222.9-30.2000110.4
196S54.9Low54.1Low92 Ų9298.3 Ų98.364%0.64364%0.636SS**PPolyproline II helixtrans-67.8143.5168.9-54.90000108.4P194 N198P194-S196 PolarHBondContact O-N 3.44Å; S196-N198 PolarHBondContact O-N 3.44Å
197P47.5Very low51.9Low110 Ų11099.2 Ų99.271%0.71466%0.66SS**THydrogen-bonded Turntrans-63.610.7-173.7-20.831.2000116.9
198N45.3Very low49.8Very low155 Ų155101.2 Ų101.283%0.82969%0.685SS**THydrogen-bonded Turntrans-127.820.2-165.9-107.121.8000115.6S196S196-N198 PolarHBondContact O-N 3.44Å
199Q45.4Very low47.7Very low190 Ų19095.7 Ų95.789%0.88868%0.684SS**  trans-130.179.9172.4-75.3-175.110.200111.9
200A35.3Very low45.5Very low103 Ų10398.6 Ų98.685%0.85172%0.717SS**  trans-146.680.1159.500000109.1
201A34.5Very low43Very low102 Ų10295 Ų9584%0.84373%0.727SS**SBendtrans-177.4108155.200000111.6
202G32.4Very low40.6Very low86 Ų8696.2 Ų96.289%0.88775%0.753SS**  trans62.2132153.600000118.9
203G27.9Very low38.3Very low77 Ų77104.4 Ų104.479%0.79479%0.79SS**  cis117.190.421.900000111.2
204A28.8Very low36.2Very low106 Ų106107.9 Ų107.988%0.87680%0.798SS**  trans52.3119.3154.700000122.3
205A28.5Very low34.4Very low108 Ų108112.1 Ų112.189%0.89383%0.825SS**  -173.8141123.400000111.8
206S31.5Very low33Very low125 Ų125114.7 Ų114.787%0.87484%0.839SS**  trans-81.4152.2-175.347.90000115.2
207G26Very low32Very low79 Ų79117 Ų11781%0.81484%0.844SS**  trans158.7117.7159.100000113
208G28Very low31.4Very low91 Ų91117.7 Ų117.794%0.93885%0.846SS**  trans-81.3173.6-168.800000116.7
209G25.2Very low31Very low81 Ų81115.2 Ų115.284%0.83585%0.847SS**  trans157.4116.3170.100000112.7
210A34.1Very low31.2Very low116 Ų116115.3 Ų115.396%0.95984%0.839SS**  trans-67.4139.917800000112.7
211G25.5Very low32Very low74 Ų74120.3 Ų120.376%0.76384%0.842SS**  trans171.1135.3172.900000111.3
212G29.1Very low33.3Very low84 Ų84117.9 Ų117.987%0.86682%0.822SS**  trans-55.7137.6-162.200000116.8Q214G212-Q214 PolarHBondContact O-N 3.02Å
213Q27.4Very low35.1Very low194 Ų194115.8 Ų115.891%0.90780%0.8SS**  trans-84.5102.4174.4-73.8175.410.200110.8
214Q26.9Very low37.4Very low178 Ų178114.3 Ų114.383%0.83278%0.776SS**  trans-70.3139.3145-78.5178.2-15.800108.4G212 V216G212-Q214 PolarHBondContact O-N 3.02Å; Q214-V216 PolarHBondContact O-N 2.96Å
215P30.2Very low39.7Very low121 Ų121109.9 Ų109.979%0.78674%0.738SS**  trans-66.5123.8176.425.3-30.5000110.1L217P215-L217 PolarHBondContact O-N 3.27Å; P215-L217 VanDerWaalsContact O-N 3.16Å
216V28.7Very low41.8Very low136 Ų136110.1 Ų110.182%0.82473%0.728SS**  trans-54.5113.2176.4178.50000109.6Q214 T218Q214-V216 PolarHBondContact O-N 2.96Å; V216-T218 PolarHBondContact O-N 3.02Å; V216-T218 VanDerWaalsContact O-N 3.13Å
217L33.3Very low43.8Very low142 Ų142108.2 Ų108.274%0.74371%0.708SS**  trans-66108.6170.7-70.4168000108.3P215 A219P215-L217 PolarHBondContact O-N 3.27Å; P215-L217 VanDerWaalsContact O-N 3.16Å; L217-A219 PolarHBondContact O-N 3.02Å
218T35.6Very low46.2Very low124 Ų124105.8 Ų105.876%0.76168%0.676SS**  trans-51.7129.5164.543.90000109.2V216 R220V216-T218 PolarHBondContact O-N 3.02Å; V216-T218 VanDerWaalsContact O-N 3.13Å; T218-R220 PolarHBondContact O-N 2.81Å
219A37Very low48.3Very low103 Ų103109.2 Ų109.285%0.85167%0.667SS**  trans-50.1112.1-176.700000110.7L217 K221L217-A219 PolarHBondContact O-N 3.02Å; A219-K221 PolarHBondContact O-N 3.23Å
220R48.7Very low50.7Low192 Ų192109.7 Ų109.773%0.72566%0.663SS**  trans-66.8115.9176.7-68.1178.7177.5178.70.5107.8T218 A222T218-R220 PolarHBondContact O-N 2.81Å; R220-A222 PolarHBondContact O-N 3.33Å; R220-A222 VanDerWaalsContact O-N 3.11Å
221K53.7Low52.8Low208 Ų208106.7 Ų106.790%0.90463%0.629SS**PPolyproline II helixtrans-53.5119.7165.1-87.3-177.2174.9-179.30107.9A219A219-K221 PolarHBondContact O-N 3.23Å
222A61.8Low55.6Low51 Ų51107.1 Ų107.142%0.42161%0.614SS.*PPolyproline II helixtrans-60.7143.2176.600000109.7R220 T224 N232R220-A222 PolarHBondContact O-N 3.33Å; R220-A222 VanDerWaalsContact O-N 3.11Å; A222-T224 PolarHBondContact O-N 3.21Å; A222-N232 HydrophobicContact CB-CB 4.29Å
223G68.8Low58.3Low42 Ų42105.8 Ų105.843%0.43358%0.584SS.*PPolyproline II helixtrans-66.2126.2172.100000109.3F233G223-F233 WeakPolarHBondContact O-CD2 3.24Å; G223-F233 PolarHBondContact O-N 2.78Å
224T76.3Confident61Low46 Ų4698.5 Ų98.528%0.28256%0.555SS.*BIsolated β-bridgetrans-99153.6178.252.90000111.2A222 E229 E231 N232 F233A222-T224 PolarHBondContact O-N 3.21Å; T224-E229 VanDerWaalsContact CB-O 3.29Å; T224-E229 WeakPolarHBondContact CB-O 3.48Å; T224-E229 WeakPolarHBondContact CG2-O 3.36Å; T224-E231 CarbonylContact C-O 3.57Å; T224-E231 VanDerWaalsContact CA-O 3.24Å; T224-E231 WeakPolarHBondContact CA-O 3.34Å; T224-N232 WeakPolarHBondContact CG2-OD1 3.35Å; T224-F233 WeakPolarHBondContact O-CE2 3.42Å; T224-F233 WeakPolarHBondContact O-CZ 3.49Å
225C77.9Confident63.8Low12 Ų1291.8 Ų91.88%0.08152%0.524CS..PPolyproline II helixtrans-64.9145.7178.6-171.90000111.7H228 E229 E231 F233 C245C225-H228 HydrophobicContact CB-CB 4.07Å; C225-H228 WeakPolarHBondContact CB-O 3.25Å; C225-H228 CarbonylContact O-C 2.98Å; C225-E229 PolarHBondContact O-N 2.97Å; C225-E231 PolarHBondContact N-O 3.26Å; C225-F233 HydrophobicContact CB-CE1 3.98Å; C225-F233 HydrophobicContact CB-CZ 4.35Å; C225-C245 HydrophobicContact CB-CB 3.98Å
226V73.2Confident66.6Low114 Ų11487.4 Ų87.469%0.69149%0.492SS*.SBendtrans-71.8-34.6177.2-178.10000111.3
227D72.5Confident69.5Low85 Ų8581 Ų8146%0.45545%0.453SS..SBendtrans-84.6-27.4177.6-68.4-10.9000111.9K253D227-K253 IonicContact OD2-NZ 3.45Å; D227-K253 PolarHBondContact OD2-NZ 3.03Å; D227-K253 VanDerWaalsContact OD2-NZ 3.14Å
228H76.5Confident72.1Confident28 Ų2875.8 Ų75.813%0.1343%0.428CS..  trans-129.882.7-177.6-51.8114.1000110.6C225 A230 E231 C245 C248 E251C225-H228 HydrophobicContact CB-CB 4.07Å; C225-H228 WeakPolarHBondContact CB-O 3.25Å; C225-H228 CarbonylContact O-C 2.98Å; H228-A230 PolarHBondContact O-N 2.92Å; H228-E231 HydrophobicContact CB-CB 3.99Å; H228-E231 HydrophobicContact CB-CG 3.95Å; H228-E231 PolarHBondContact O-N 2.84Å; H228-C245 PolarHBondContact ND1-SG 3.48Å; H228-C245 VanDerWaalsContact ND1-SG 3.41Å; H228-C248 PolarHBondContact CE1-SG 2.87Å; H228-C248 PolarHBondContact ND1-SG 2.77Å; H228-C248 VanDerWaalsContact ND1-SG 3.38Å; H228-E251 IonicContact CD2-OE1 3.35Å; H228-E251 IonicContact CE1-OE1 2.91Å; H228-E251 PolarHBondContact CE1-OE1 2.92Å; H228-E251 IonicContact CE1-OE2 2.68Å; H228-E251 PolarHBondContact CE1-OE2 3.48Å; H228-E251 VanDerWaalsContact CE1-OE2 3.25Å; H228-E251 IonicContact NE2-OE1 3.82Å; H228-E251 PolarHBondContact NE2-OE1 3.38Å; H228-E251 IonicContact NE2-OE2 2.93Å; H228-E251 PolarHBondContact NE2-OE2 2.95Å
229E72.1Confident74.5Confident163 Ų16373.2 Ų73.276%0.76242%0.415SS*.THydrogen-bonded Turntrans-59.2-23.2-171-62.2-169.7153.500114.8T224 C225T224-E229 VanDerWaalsContact CB-O 3.29Å; T224-E229 WeakPolarHBondContact CB-O 3.48Å; T224-E229 WeakPolarHBondContact CG2-O 3.36Å; C225-E229 PolarHBondContact O-N 2.97Å
230A75Confident76.7Confident90 Ų9071 Ų7174%0.74439%0.393SS*.THydrogen-bonded Turntrans-87.6-10.8177.800000114.1H228H228-A230 PolarHBondContact O-N 2.92Å
231E79.2Confident78.4Confident53 Ų5370 Ų7025%0.24839%0.394CS..PPolyproline II helixtrans-101.1135.5-177.3-67.3-59.5143.600112.4T224 C225 H228 C245 K247T224-E231 CarbonylContact C-O 3.57Å; T224-E231 VanDerWaalsContact CA-O 3.24Å; T224-E231 WeakPolarHBondContact CA-O 3.34Å; C225-E231 PolarHBondContact N-O 3.26Å; H228-E231 HydrophobicContact CB-CB 3.99Å; H228-E231 HydrophobicContact CB-CG 3.95Å; H228-E231 PolarHBondContact O-N 2.84Å; E231-C245 HydrophobicContact CB-CB 3.79Å; E231-K247 HydrophobicContact CG-CB 4.24Å; E231-K247 HydrophobicContact CG-CD 3.52Å; E231-K247 HydrophobicContact CG-CG 3.78Å; E231-K247 WeakPolarHBondContact OE1-CE 3.28Å; E231-K247 IonicContact OE1-NZ 2.83Å; E231-K247 PolarHBondContact OE1-NZ 3.29Å
232N83.8Confident79.8Confident84 Ų8461.8 Ų61.845%0.44937%0.365SS..BIsolated β-bridgetrans-83.8148.7174.6-67.1-22.4000111A222 T224 S234 C245A222-N232 HydrophobicContact CB-CB 4.29Å; T224-N232 WeakPolarHBondContact CG2-OD1 3.35Å; N232-S234 PolarHBondContact O-N 3.02Å; N232-C245 WeakPolarHBondContact O-CB 3.48Å
233F84.8Confident81Confident56 Ų5662 Ų6225%0.24636%0.362CS..EExtended strand (participates in β ladder)trans-66.9124.9169.6-63.4-62.3000111G223 T224 C225 P243 L262G223-F233 WeakPolarHBondContact O-CD2 3.24Å; G223-F233 PolarHBondContact O-N 2.78Å; T224-F233 WeakPolarHBondContact O-CE2 3.42Å; T224-F233 WeakPolarHBondContact O-CZ 3.49Å; C225-F233 HydrophobicContact CB-CE1 3.98Å; C225-F233 HydrophobicContact CB-CZ 4.35Å; F233-P243 HydrophobicContact CB-CB 4.01Å; F233-P243 HydrophobicContact CD1-CB 3.91Å; F233-P243 HydrophobicContact CD1-CG 4.26Å; F233-P243 WeakPolarHBondContact CD1-O 3.3Å; F233-P243 HydrophobicContact CD2-CB 4.35Å; F233-P243 HydrophobicContact CD2-CG 4.32Å; F233-P243 HydrophobicContact CE1-CB 4.44Å; F233-P243 HydrophobicContact CE1-CG 4.33Å; F233-P243 VanDerWaalsContact CE1-O 3.32Å; F233-P243 WeakPolarHBondContact CE1-O 3.35Å; F233-P243 HydrophobicContact CE2-CG 4.41Å; F233-P243 HydrophobicContact CG-CB 3.85Å; F233-P243 HydrophobicContact CG-CG 4.24Å; F233-P243 HydrophobicContact CZ-CG 4.4Å; F233-L262 HydrophobicContact CB-CD2 3.99Å; F233-L262 WeakPolarHBondContact O-CD2 3.39Å
234S84.5Confident81.8Confident41 Ų4160.3 Ų60.329%0.28734%0.343SS..EExtended strand (participates in β ladder)trans-121.3-25.5-178.155.30000112.7N232 V244 M246 L262N232-S234 PolarHBondContact O-N 3.02Å; S234-V244 PolarHBondContact N-O 3Å; S234-M246 WeakPolarHBondContact OG-CG 3.43Å; S234-M246 PolarHBondContact OG-SD 2.74Å; S234-L262 WeakPolarHBondContact O-CB 3.14Å; S234-L262 PolarHBondContact O-N 2.8Å; S234-L262 VanDerWaalsContact O-N 3.1Å
235M87.1Confident82.3Confident36 Ų3658.1 Ų58.118%0.17733%0.33CS..EExtended strand (participates in β ladder)trans-125.6163.6-175.3-61.5-62.5-75.700110.8P243 V244 M246 L249 V259 P261M235-P243 WeakPolarHBondContact O-CA 3.48Å; M235-V244 HydrophobicContact CB-CG2 3.71Å; M235-V244 PolarHBondContact N-O 3.27Å; M235-V244 PolarHBondContact O-N 3.33Å; M235-V244 VanDerWaalsContact O-O 3.14Å; M235-M246 HydrophobicContact CG-SD 4.06Å; M235-L249 HydrophobicContact CB-CD1 3.92Å; M235-L249 HydrophobicContact CG-CD1 3.65Å; M235-V259 HydrophobicContact CE-CG2 4.46Å; M235-P261 HydrophobicContact SD-CB 4.48Å
236Y89.2Confident82.5Confident30 Ų3062 Ų6212%0.11835%0.348CS..EExtended strand (participates in β ladder)trans-126.5124.4175.6-176.4-93000109.6K241 V259 K260 L262 M265 H269Y236-K241 WeakPolarHBondContact OH-CA 3.47Å; Y236-K241 PolarHBondContact OH-O 3.04Å; Y236-K241 VanDerWaalsContact OH-O 3.13Å; Y236-V259 CarbonylContact O-C 3.55Å; Y236-V259 WeakPolarHBondContact O-CA 3.23Å; Y236-K260 PolarHBondContact N-O 3.02Å; Y236-K260 PolarHBondContact O-N 3.14Å; Y236-L262 HydrophobicContact CD2-CD1 4.33Å; Y236-M265 HydrophobicContact CD1-CB 4.1Å; Y236-M265 HydrophobicContact CD1-CE 3.89Å; Y236-M265 HydrophobicContact CD1-CG 3.79Å; Y236-M265 HydrophobicContact CE1-CE 3.93Å; Y236-M265 HydrophobicContact CG-CB 4.04Å; Y236-M265 HydrophobicContact CG-CG 4.05Å; Y236-H269 AromaticContact CZ-CE1 3.77Å
237C89.6Confident83Confident0 Ų060.5 Ų60.50%033%0.332CS..EExtended strand (participates in β ladder)trans-88.9111.5176.9-177.10000109.7S239 C240 K241 A242 V244 H254 H257 D258 V259C237-S239 VanDerWaalsContact C-N 3.31Å; C237-S239 PolarHBondContact O-N 3.01Å; C237-C240 HydrophobicContact CB-CB 4.14Å; C237-C240 PolarHBondContact O-N 2.62Å; C237-C240 PolarHBondContact SG-N 2.9Å; C237-C240 VanDerWaalsContact SG-N 3.45Å; C237-K241 WeakPolarHBondContact O-CA 3.49Å; C237-K241 PolarHBondContact O-N 2.7Å; C237-A242 PolarHBondContact N-O 2.83Å; C237-A242 PolarHBondContact O-N 2.84Å; C237-V244 HydrophobicContact CB-CG1 3.92Å; C237-H254 PolarHBondContact SG-ND1 2.84Å; C237-H257 WeakPolarHBondContact SG-CB 3.34Å; C237-D258 CarbonylContact C-O 3.56Å; C237-V259 HydrophobicContact CB-CG1 4Å
238C86.9Confident83.5Confident33 Ų3356.7 Ų56.722%0.22331%0.312CS..THydrogen-bonded Turntrans-65.1-36.3178.9-61.60000111.7D258C238-D258 HydrophobicContact CB-CB 4.14Å; C238-D258 WeakPolarHBondContact CB-OD2 3.38Å; C238-D258 PolarHBondContact N-O 2.99Å; C238-D258 PolarHBondContact SG-OD2 2.94Å
239S86.9Confident83.7Confident71 Ų7157.3 Ų57.350%0.49732%0.316SS..THydrogen-bonded Turntrans-68.2-40.1179.5-50.30000112.3C237 D258C237-S239 VanDerWaalsContact C-N 3.31Å; C237-S239 PolarHBondContact O-N 3.01Å; S239-D258 PolarHBondContact OG-N 2.99Å
240C82.4Confident84.1Confident57 Ų5756.9 Ų56.939%0.38531%0.314SS..THydrogen-bonded Turntrans-92.3-6.5179.3-58.70000113.8C237 A242 H254 H257C237-C240 HydrophobicContact CB-CB 4.14Å; C237-C240 PolarHBondContact O-N 2.62Å; C237-C240 PolarHBondContact SG-N 2.9Å; C237-C240 VanDerWaalsContact SG-N 3.45Å; C240-A242 PolarHBondContact O-N 2.63Å; C240-H254 VanDerWaalsContact SG-CE1 3.5Å; C240-H257 PolarHBondContact SG-CE1 3.38Å; C240-H257 PolarHBondContact SG-ND1 2.85Å; C240-H257 VanDerWaalsContact SG-ND1 3.44Å
241K84.7Confident84.4Confident169 Ų16957.6 Ų57.674%0.73530%0.302SS*.THydrogen-bonded Turntrans52.433.9-174.8-59.5-175.3178.81800114.3Y236 C237Y236-K241 WeakPolarHBondContact OH-CA 3.47Å; Y236-K241 PolarHBondContact OH-O 3.04Å; Y236-K241 VanDerWaalsContact OH-O 3.13Å; C237-K241 WeakPolarHBondContact O-CA 3.49Å; C237-K241 PolarHBondContact O-N 2.7Å
242A83.1Confident84.3Confident37 Ų3757 Ų5731%0.30631%0.31SS..EExtended strand (participates in β ladder)trans-137.1149.5-174.300000112.5C237 C240C237-A242 PolarHBondContact N-O 2.83Å; C237-A242 PolarHBondContact O-N 2.84Å; C240-A242 PolarHBondContact O-N 2.63Å
243P86.4Confident84Confident55 Ų5557.8 Ų57.836%0.35731%0.309SS..EExtended strand (participates in β ladder)trans-69.7142170.631.4-34.5000110.7F233 M235 L262F233-P243 HydrophobicContact CB-CB 4.01Å; F233-P243 HydrophobicContact CD1-CB 3.91Å; F233-P243 HydrophobicContact CD1-CG 4.26Å; F233-P243 WeakPolarHBondContact CD1-O 3.3Å; F233-P243 HydrophobicContact CD2-CB 4.35Å; F233-P243 HydrophobicContact CD2-CG 4.32Å; F233-P243 HydrophobicContact CE1-CB 4.44Å; F233-P243 HydrophobicContact CE1-CG 4.33Å; F233-P243 VanDerWaalsContact CE1-O 3.32Å; F233-P243 WeakPolarHBondContact CE1-O 3.35Å; F233-P243 HydrophobicContact CE2-CG 4.41Å; F233-P243 HydrophobicContact CG-CB 3.85Å; F233-P243 HydrophobicContact CG-CG 4.24Å; F233-P243 HydrophobicContact CZ-CG 4.4Å; M235-P243 WeakPolarHBondContact O-CA 3.48Å; P243-L262 HydrophobicContact CB-CD1 4.1Å
244V86Confident83.8Confident6 Ų656.7 Ų56.74%0.03631%0.305CS..EExtended strand (participates in β ladder)trans-130146.6-179.1-58.10000110.5S234 M235 C237 L249S234-V244 PolarHBondContact N-O 3Å; M235-V244 HydrophobicContact CB-CG2 3.71Å; M235-V244 PolarHBondContact N-O 3.27Å; M235-V244 PolarHBondContact O-N 3.33Å; M235-V244 VanDerWaalsContact O-O 3.14Å; C237-V244 HydrophobicContact CB-CG1 3.92Å; V244-L249 HydrophobicContact CG2-CD1 4.23Å; V244-L249 HydrophobicContact CG2-CD2 4.34Å; V244-L249 HydrophobicContact CG2-CG 4.23Å
245C87.6Confident83.3Confident0 Ų058.5 Ų58.50%032%0.322CS..EExtended strand (participates in β ladder)trans-89.1170.1173.567.80000110.8C225 H228 E231 N232 K247 C248C225-C245 HydrophobicContact CB-CB 3.98Å; H228-C245 PolarHBondContact ND1-SG 3.48Å; H228-C245 VanDerWaalsContact ND1-SG 3.41Å; E231-C245 HydrophobicContact CB-CB 3.79Å; N232-C245 WeakPolarHBondContact O-CB 3.48Å; C245-K247 PolarHBondContact O-N 3.4Å; C245-C248 PolarHBondContact O-N 3.03Å; C245-C248 PolarHBondContact SG-N 3.12Å
246M81.8Confident83Confident95 Ų9566.7 Ų66.747%0.46836%0.357SS..Hα-helixtrans-64.7-38.6179.3-64.5-54.4-138.800112.7S234 M235 C248 L249 E250S234-M246 WeakPolarHBondContact OG-CG 3.43Å; S234-M246 PolarHBondContact OG-SD 2.74Å; M235-M246 HydrophobicContact CG-SD 4.06Å; M246-C248 PolarHBondContact O-N 3.24Å; M246-L249 WeakPolarHBondContact O-CA 3.22Å; M246-L249 WeakPolarHBondContact O-CB 3.46Å; M246-L249 PolarHBondContact O-N 2.99Å; M246-L249 HydrophobicContact SD-CD1 4.15Å; M246-E250 WeakPolarHBondContact O-CG 3.33Å; M246-E250 PolarHBondContact O-N 3.46Å
247K82.4Confident82.9Confident81 Ų8168.8 Ų68.835%0.35237%0.367SS..Hα-helixtrans-62.7-36.9178.6-72.6-172179.5147.40113.4E231 C245 L249 E250 E251E231-K247 HydrophobicContact CG-CB 4.24Å; E231-K247 HydrophobicContact CG-CD 3.52Å; E231-K247 HydrophobicContact CG-CG 3.78Å; E231-K247 WeakPolarHBondContact OE1-CE 3.28Å; E231-K247 IonicContact OE1-NZ 2.83Å; E231-K247 PolarHBondContact OE1-NZ 3.29Å; C245-K247 PolarHBondContact O-N 3.4Å; K247-L249 PolarHBondContact O-N 3.42Å; K247-E250 PolarHBondContact O-N 2.89Å; K247-E251 WeakPolarHBondContact O-CB 3.46Å; K247-E251 VanDerWaalsContact O-CG 3.32Å; K247-E251 WeakPolarHBondContact O-CG 3.3Å; K247-E251 PolarHBondContact O-N 2.96Å
248C82.6Confident82.8Confident5 Ų572.6 Ų72.63%0.03439%0.388CS..Hα-helixtrans-65.1-25.5173.2-750000113.5H228 C245 M246 K253H228-C248 PolarHBondContact CE1-SG 2.87Å; H228-C248 PolarHBondContact ND1-SG 2.77Å; H228-C248 VanDerWaalsContact ND1-SG 3.38Å; C245-C248 PolarHBondContact O-N 3.03Å; C245-C248 PolarHBondContact SG-N 3.12Å; M246-C248 PolarHBondContact O-N 3.24Å; C248-K253 PolarHBondContact O-N 2.96Å
249L80.8Confident82.9Confident41 Ų4173.1 Ų73.122%0.21539%0.39CS..Hα-helixtrans-78.9-42.9174.4-68.7160.9000110.5M235 V244 M246 K247 G252 H254 V259M235-L249 HydrophobicContact CB-CD1 3.92Å; M235-L249 HydrophobicContact CG-CD1 3.65Å; V244-L249 HydrophobicContact CG2-CD1 4.23Å; V244-L249 HydrophobicContact CG2-CD2 4.34Å; V244-L249 HydrophobicContact CG2-CG 4.23Å; M246-L249 WeakPolarHBondContact O-CA 3.22Å; M246-L249 WeakPolarHBondContact O-CB 3.46Å; M246-L249 PolarHBondContact O-N 2.99Å; M246-L249 HydrophobicContact SD-CD1 4.15Å; K247-L249 PolarHBondContact O-N 3.42Å; L249-G252 PolarHBondContact O-N 3.02Å; L249-G252 VanDerWaalsContact O-N 3.11Å; L249-H254 HydrophobicContact CD2-CB 4.08Å; L249-V259 HydrophobicContact CD2-CB 4.4Å; L249-V259 HydrophobicContact CD2-CG1 3.94Å; L249-V259 HydrophobicContact CD2-CG2 4.15Å
250E80.7Confident83Confident155 Ų15573.5 Ų73.572%0.72438%0.383SS*.Hα-helixtrans-65.4-38177.6-69.3171.1178.600112.6M246 K247 G252M246-E250 WeakPolarHBondContact O-CG 3.33Å; M246-E250 PolarHBondContact O-N 3.46Å; K247-E250 PolarHBondContact O-N 2.89Å; E250-G252 PolarHBondContact O-N 3.38Å; E250-G252 VanDerWaalsContact O-N 3.14Å
251E83Confident83.4Confident105 Ų10574.1 Ų74.149%0.49139%0.386SS..THydrogen-bonded Turntrans-69-2.2172.8-73.9179178.800113.4H228 K247 K253H228-E251 IonicContact CD2-OE1 3.35Å; H228-E251 IonicContact CE1-OE1 2.91Å; H228-E251 PolarHBondContact CE1-OE1 2.92Å; H228-E251 IonicContact CE1-OE2 2.68Å; H228-E251 PolarHBondContact CE1-OE2 3.48Å; H228-E251 VanDerWaalsContact CE1-OE2 3.25Å; H228-E251 IonicContact NE2-OE1 3.82Å; H228-E251 PolarHBondContact NE2-OE1 3.38Å; H228-E251 IonicContact NE2-OE2 2.93Å; H228-E251 PolarHBondContact NE2-OE2 2.95Å; K247-E251 WeakPolarHBondContact O-CB 3.46Å; K247-E251 VanDerWaalsContact O-CG 3.32Å; K247-E251 WeakPolarHBondContact O-CG 3.3Å; K247-E251 PolarHBondContact O-N 2.96Å; E251-K253 HydrophobicContact CB-CG 4.49Å; E251-K253 PolarHBondContact O-N 3.23Å; E251-K253 VanDerWaalsContact OE2-CE 3.3Å; E251-K253 WeakPolarHBondContact OE2-CE 3.41Å; E251-K253 IonicContact OE2-NZ 2.92Å; E251-K253 PolarHBondContact OE2-NZ 2.77Å
252G75.8Confident83.6Confident39 Ų3968.4 Ų68.440%0.40236%0.363SS..THydrogen-bonded Turntrans76.1-0.2174.600000115.7L249 E250 H254 A255L249-G252 PolarHBondContact O-N 3.02Å; L249-G252 VanDerWaalsContact O-N 3.11Å; E250-G252 PolarHBondContact O-N 3.38Å; E250-G252 VanDerWaalsContact O-N 3.14Å; G252-H254 PolarHBondContact O-N 3.45Å; G252-H254 VanDerWaalsContact O-N 3.08Å; G252-A255 WeakPolarHBondContact O-CB 3.38Å; G252-A255 PolarHBondContact O-N 2.81Å; G252-A255 VanDerWaalsContact O-N 3.12Å
253K77.3Confident83.7Confident101 Ų10170 Ų7044%0.43938%0.377SS..THydrogen-bonded Turntrans-56.5-27.3179.4-69.5174.3176.7161.50113.4D227 C248 E251D227-K253 IonicContact OD2-NZ 3.45Å; D227-K253 PolarHBondContact OD2-NZ 3.03Å; D227-K253 VanDerWaalsContact OD2-NZ 3.14Å; C248-K253 PolarHBondContact O-N 2.96Å; E251-K253 HydrophobicContact CB-CG 4.49Å; E251-K253 PolarHBondContact O-N 3.23Å; E251-K253 VanDerWaalsContact OE2-CE 3.3Å; E251-K253 WeakPolarHBondContact OE2-CE 3.41Å; E251-K253 IonicContact OE2-NZ 2.92Å; E251-K253 PolarHBondContact OE2-NZ 2.77Å
254H80.4Confident83.7Confident33 Ų3371.5 Ų71.515%0.15338%0.384CS..THydrogen-bonded Turntrans-122.519.7178.5-61.6-96.8000113.5C237 C240 L249 G252 K256 H257C237-H254 PolarHBondContact SG-ND1 2.84Å; C240-H254 VanDerWaalsContact SG-CE1 3.5Å; L249-H254 HydrophobicContact CD2-CB 4.08Å; G252-H254 PolarHBondContact O-N 3.45Å; G252-H254 VanDerWaalsContact O-N 3.08Å; H254-K256 PolarHBondContact O-N 3.12Å; H254-K256 VanDerWaalsContact O-N 3.11Å; H254-H257 HydrophobicContact CB-CB 4.36Å; H254-H257 AromaticContact CG-ND1 3.91Å; H254-H257 AromaticContact ND1-ND1 3.34Å; H254-H257 PolarHBondContact ND1-ND1 3.19Å; H254-H257 PolarHBondContact O-N 2.81Å; H254-H257 VanDerWaalsContact O-N 3.07Å
255A75.5Confident83.9Confident79 Ų7971.7 Ų71.765%0.65339%0.385SS*.THydrogen-bonded Turntrans-60.4-24.9-173.900000114.6G252G252-A255 WeakPolarHBondContact O-CB 3.38Å; G252-A255 PolarHBondContact O-N 2.81Å; G252-A255 VanDerWaalsContact O-N 3.12Å
256K80.1Confident84Confident209 Ų20978.7 Ų78.791%0.90941%0.411SS*.THydrogen-bonded Turntrans-104.46.9179.4-62-175.9-178.5179.40113.9H254H254-K256 PolarHBondContact O-N 3.12Å; H254-K256 VanDerWaalsContact O-N 3.11Å
257H87.1Confident84.3Confident73 Ų7381.6 Ų81.634%0.33842%0.422SS..SBendtrans-100.4149.2-176.5-65.7152000111.9C237 C240 H254 V259C237-H257 WeakPolarHBondContact SG-CB 3.34Å; C240-H257 PolarHBondContact SG-CE1 3.38Å; C240-H257 PolarHBondContact SG-ND1 2.85Å; C240-H257 VanDerWaalsContact SG-ND1 3.44Å; H254-H257 HydrophobicContact CB-CB 4.36Å; H254-H257 AromaticContact CG-ND1 3.91Å; H254-H257 AromaticContact ND1-ND1 3.34Å; H254-H257 PolarHBondContact ND1-ND1 3.19Å; H254-H257 PolarHBondContact O-N 2.81Å; H254-H257 VanDerWaalsContact O-N 3.07Å; H257-V259 PolarHBondContact O-N 2.81Å
258D86.8Confident84.7Confident80 Ų8081.7 Ų81.743%0.42842%0.423SS..  trans-69.3118.2171.3177.836.6000109C237 C238 S239 K260C237-D258 CarbonylContact C-O 3.56Å; C238-D258 HydrophobicContact CB-CB 4.14Å; C238-D258 WeakPolarHBondContact CB-OD2 3.38Å; C238-D258 PolarHBondContact N-O 2.99Å; C238-D258 PolarHBondContact SG-OD2 2.94Å; S239-D258 PolarHBondContact OG-N 2.99Å; D258-K260 WeakPolarHBondContact OD2-CE 3.41Å; D258-K260 IonicContact OD2-NZ 2.87Å
259V89.6Confident85.1Confident44 Ų4485 Ų8527%0.26744%0.438SS..EExtended strand (participates in β ladder)trans-126.2129.7-176.8-66.70000110M235 Y236 C237 L249 H257M235-V259 HydrophobicContact CE-CG2 4.46Å; Y236-V259 CarbonylContact O-C 3.55Å; Y236-V259 WeakPolarHBondContact O-CA 3.23Å; C237-V259 HydrophobicContact CB-CG1 4Å; L249-V259 HydrophobicContact CD2-CB 4.4Å; L249-V259 HydrophobicContact CD2-CG1 3.94Å; L249-V259 HydrophobicContact CD2-CG2 4.15Å; H257-V259 PolarHBondContact O-N 2.81Å
260K89.4Confident85.5Confident80 Ų8088.2 Ų88.235%0.34845%0.45SS..EExtended strand (participates in β ladder)trans-122.9153.6-177.5-67.3179.3-177.1170.80110.6Y236 D258 L262 M265Y236-K260 PolarHBondContact N-O 3.02Å; Y236-K260 PolarHBondContact O-N 3.14Å; D258-K260 WeakPolarHBondContact OD2-CE 3.41Å; D258-K260 IonicContact OD2-NZ 2.87Å; K260-L262 PolarHBondContact O-N 3.33Å; K260-M265 HydrophobicContact CB-CG 3.72Å; K260-M265 HydrophobicContact CB-SD 4.05Å; K260-M265 HydrophobicContact CD-CG 4.44Å; K260-M265 HydrophobicContact CD-SD 3.63Å; K260-M265 HydrophobicContact CG-SD 4.44Å
261P91.3Very high86.1Confident69 Ų6984.8 Ų84.845%0.44844%0.442SS..EExtended strand (participates in β ladder)trans-55.4131.7174.7-25.634.8000111.7M235 A263 V264 M265M235-P261 HydrophobicContact SD-CB 4.48Å; P261-A263 PolarHBondContact O-N 2.93Å; P261-V264 HydrophobicContact CB-CG2 4.14Å; P261-V264 HydrophobicContact CG-CG2 4.5Å; P261-V264 PolarHBondContact O-N 2.85Å; P261-M265 PolarHBondContact O-N 2.87Å
262L87.4Confident86.5Confident50 Ų5084.1 Ų84.126%0.26244%0.439SS..Hα-helixtrans-58.3-36.4-173.7-177.964.3000112.3F233 S234 Y236 P243 K260 V264 M265 W266F233-L262 HydrophobicContact CB-CD2 3.99Å; F233-L262 WeakPolarHBondContact O-CD2 3.39Å; S234-L262 WeakPolarHBondContact O-CB 3.14Å; S234-L262 PolarHBondContact O-N 2.8Å; S234-L262 VanDerWaalsContact O-N 3.1Å; Y236-L262 HydrophobicContact CD2-CD1 4.33Å; P243-L262 HydrophobicContact CB-CD1 4.1Å; K260-L262 PolarHBondContact O-N 3.33Å; L262-V264 VanDerWaalsContact C-N 3.34Å; L262-V264 PolarHBondContact O-N 2.62Å; L262-M265 PolarHBondContact O-N 3.26Å; L262-W266 WeakPolarHBondContact O-CB 3.29Å; L262-W266 PolarHBondContact O-N 3Å
263A84.9Confident87.2Confident71 Ų7187.6 Ų87.659%0.58745%0.448SS*.Hα-helixtrans-63.7-36.2178.900000113.3P261 K267P261-A263 PolarHBondContact O-N 2.93Å; A263-K267 PolarHBondContact O-N 2.83Å; A263-K267 VanDerWaalsContact O-N 3.13Å
264V87.4Confident87.9Confident86 Ų8685.8 Ų85.852%0.52145%0.448SS..Hα-helixtrans-70.1-49.7178.7176.80000109.7P261 L262 W266 K267 Q268P261-V264 HydrophobicContact CB-CG2 4.14Å; P261-V264 HydrophobicContact CG-CG2 4.5Å; P261-V264 PolarHBondContact O-N 2.85Å; L262-V264 VanDerWaalsContact C-N 3.34Å; L262-V264 PolarHBondContact O-N 2.62Å; V264-W266 VanDerWaalsContact C-N 3.31Å; V264-W266 PolarHBondContact O-N 2.88Å; V264-K267 PolarHBondContact O-N 3.25Å; V264-Q268 WeakPolarHBondContact O-CB 3.42Å; V264-Q268 PolarHBondContact O-N 2.84Å
265M90.9Very high88.5Confident10 Ų1090.8 Ų90.85%0.04947%0.472CS..Hα-helixtrans-63.8-36.9177.7-67.7-55.5-62.800112.2Y236 K260 P261 L262 Q268 H269Y236-M265 HydrophobicContact CD1-CB 4.1Å; Y236-M265 HydrophobicContact CD1-CE 3.89Å; Y236-M265 HydrophobicContact CD1-CG 3.79Å; Y236-M265 HydrophobicContact CE1-CE 3.93Å; Y236-M265 HydrophobicContact CG-CB 4.04Å; Y236-M265 HydrophobicContact CG-CG 4.05Å; K260-M265 HydrophobicContact CB-CG 3.72Å; K260-M265 HydrophobicContact CB-SD 4.05Å; K260-M265 HydrophobicContact CD-CG 4.44Å; K260-M265 HydrophobicContact CD-SD 3.63Å; K260-M265 HydrophobicContact CG-SD 4.44Å; P261-M265 PolarHBondContact O-N 2.87Å; L262-M265 PolarHBondContact O-N 3.26Å; M265-Q268 PolarHBondContact O-N 3.09Å; M265-H269 WeakPolarHBondContact CE-NE2 3.39Å; M265-H269 WeakPolarHBondContact O-CB 3.31Å; M265-H269 PolarHBondContact O-N 3.47Å
266W88.8Confident89.3Confident146 Ų14689.9 Ų89.955%0.55346%0.464SS*.Hα-helixtrans-60-46173.8170.682.7000112.4L262 V264 K270L262-W266 WeakPolarHBondContact O-CB 3.29Å; L262-W266 PolarHBondContact O-N 3Å; V264-W266 VanDerWaalsContact C-N 3.31Å; V264-W266 PolarHBondContact O-N 2.88Å; W266-K270 HydrophobicContact CD2-CD 4Å; W266-K270 VanDerWaalsContact CE2-NZ 3.29Å; W266-K270 HydrophobicContact CE3-CD 4.5Å; W266-K270 HydrophobicContact CG-CD 4.46Å; W266-K270 HydrophobicContact CH2-CD 4.48Å; W266-K270 HydrophobicContact CZ2-CD 4.01Å; W266-K270 VanDerWaalsContact NE1-CE 3.26Å; W266-K270 VanDerWaalsContact O-CB 3.32Å; W266-K270 WeakPolarHBondContact O-CB 3.48Å; W266-K270 VanDerWaalsContact O-CG 3.26Å; W266-K270 WeakPolarHBondContact O-CG 3.14Å; W266-K270 PolarHBondContact O-N 3.21Å
267K89.4Confident89.9Confident157 Ų15784.9 Ų84.968%0.68345%0.447SS*.Hα-helixtrans-65.9-42177.2-169.2178.5-179.7-177.40111A263 V264 K270 C271A263-K267 PolarHBondContact O-N 2.83Å; A263-K267 VanDerWaalsContact O-N 3.13Å; V264-K267 PolarHBondContact O-N 3.25Å; K267-K270 PolarHBondContact O-N 3.28Å; K267-C271 WeakPolarHBondContact O-CB 2.94Å; K267-C271 PolarHBondContact O-N 3.01Å
268Q90.8Very high90.1Very high82 Ų8286 Ų8638%0.38346%0.455SS..Hα-helixtrans-62.8-52.8177.6-176.8177.5-1.900112.3V264 M265 K270 C271 Q272V264-Q268 WeakPolarHBondContact O-CB 3.42Å; V264-Q268 PolarHBondContact O-N 2.84Å; M265-Q268 PolarHBondContact O-N 3.09Å; Q268-K270 VanDerWaalsContact C-N 3.29Å; Q268-K270 PolarHBondContact O-N 3.05Å; Q268-C271 WeakPolarHBondContact O-CB 3.41Å; Q268-C271 PolarHBondContact O-N 2.85Å; Q268-C271 VanDerWaalsContact O-N 3.11Å; Q268-Q272 WeakPolarHBondContact O-CG 3.25Å; Q268-Q272 PolarHBondContact O-N 3.02Å
269H89.6Confident90.3Very high75 Ų7583.9 Ų83.935%0.34745%0.452SS..Hα-helixtrans-63.4-34.5179.2-75.8-170.4000112.2Y236 M265 Q272 L273Y236-H269 AromaticContact CZ-CE1 3.77Å; M265-H269 WeakPolarHBondContact CE-NE2 3.39Å; M265-H269 WeakPolarHBondContact O-CB 3.31Å; M265-H269 PolarHBondContact O-N 3.47Å; H269-Q272 PolarHBondContact CD2-OE1 3.26Å; H269-Q272 PolarHBondContact O-N 3.29Å; H269-L273 VanDerWaalsContact O-CB 3.3Å; H269-L273 WeakPolarHBondContact O-CB 3.44Å; H269-L273 PolarHBondContact O-N 2.84Å
270K89.9Confident90.5Very high109 Ų10986.6 Ų86.647%0.47447%0.469SS..Hα-helixtrans-62.5-43.7171.7-83.1-179.4159.4-164.40112.7W266 K267 Q268 S274W266-K270 HydrophobicContact CD2-CD 4Å; W266-K270 VanDerWaalsContact CE2-NZ 3.29Å; W266-K270 HydrophobicContact CE3-CD 4.5Å; W266-K270 HydrophobicContact CG-CD 4.46Å; W266-K270 HydrophobicContact CH2-CD 4.48Å; W266-K270 HydrophobicContact CZ2-CD 4.01Å; W266-K270 VanDerWaalsContact NE1-CE 3.26Å; W266-K270 VanDerWaalsContact O-CB 3.32Å; W266-K270 WeakPolarHBondContact O-CB 3.48Å; W266-K270 VanDerWaalsContact O-CG 3.26Å; W266-K270 WeakPolarHBondContact O-CG 3.14Å; W266-K270 PolarHBondContact O-N 3.21Å; K267-K270 PolarHBondContact O-N 3.28Å; Q268-K270 VanDerWaalsContact C-N 3.29Å; Q268-K270 PolarHBondContact O-N 3.05Å; K270-S274 WeakPolarHBondContact O-CB 3.41Å; K270-S274 PolarHBondContact O-N 2.69Å
271C92.4Very high90.6Very high82 Ų8285.6 Ų85.655%0.55447%0.472SS*.Hα-helixtrans-64.2-46.3177.2-175.90000110.9K267 Q268 L273 S274 Q275K267-C271 WeakPolarHBondContact O-CB 2.94Å; K267-C271 PolarHBondContact O-N 3.01Å; Q268-C271 WeakPolarHBondContact O-CB 3.41Å; Q268-C271 PolarHBondContact O-N 2.85Å; Q268-C271 VanDerWaalsContact O-N 3.11Å; C271-L273 PolarHBondContact O-N 2.86Å; C271-S274 PolarHBondContact O-N 3.48Å; C271-Q275 WeakPolarHBondContact O-CB 3.42Å; C271-Q275 PolarHBondContact O-N 2.77Å
272Q91.6Very high90.7Very high92 Ų9285.8 Ų85.843%0.4347%0.469SS..Hα-helixtrans-60.5-44.4176.2-72174.2-18.400112.4Q268 H269 Q275 A276Q268-Q272 WeakPolarHBondContact O-CG 3.25Å; Q268-Q272 PolarHBondContact O-N 3.02Å; H269-Q272 PolarHBondContact CD2-OE1 3.26Å; H269-Q272 PolarHBondContact O-N 3.29Å; Q272-Q275 PolarHBondContact O-N 3.07Å; Q272-A276 WeakPolarHBondContact O-CB 3.44Å; Q272-A276 PolarHBondContact O-N 3.44Å
273L90.9Very high91Very high111 Ų11189.6 Ų89.658%0.58148%0.483SS*.Hα-helixtrans-63.8-42.2176.4-178.761.7000111.4H269 C271 Q275 A276 L277H269-L273 VanDerWaalsContact O-CB 3.3Å; H269-L273 WeakPolarHBondContact O-CB 3.44Å; H269-L273 PolarHBondContact O-N 2.84Å; C271-L273 PolarHBondContact O-N 2.86Å; L273-Q275 VanDerWaalsContact C-N 3.34Å; L273-Q275 PolarHBondContact O-N 2.96Å; L273-A276 PolarHBondContact O-N 3.15Å; L273-L277 HydrophobicContact CD1-CG 4.44Å; L273-L277 HydrophobicContact CG-CD1 4.2Å; L273-L277 WeakPolarHBondContact O-CB 3.36Å; L273-L277 VanDerWaalsContact O-CG 3.25Å; L273-L277 WeakPolarHBondContact O-CG 3.45Å; L273-L277 PolarHBondContact O-N 3.32Å
274S92.8Very high91.3Very high64 Ų6489 Ų8945%0.44848%0.479SS..Hα-helixtrans-62.7-40.7176-168.90000112K270 C271 L277 N278K270-S274 WeakPolarHBondContact O-CB 3.41Å; K270-S274 PolarHBondContact O-N 2.69Å; C271-S274 PolarHBondContact O-N 3.48Å; S274-L277 PolarHBondContact O-N 3.34Å; S274-N278 VanDerWaalsContact O-CG 3.29Å; S274-N278 PolarHBondContact O-N 2.89Å; S274-N278 PolarHBondContact O-ND2 2.82Å
275Q92.3Very high91.7Very high138 Ų13890.4 Ų90.465%0.64548%0.478SS*.Hα-helixtrans-66.8-44177.1-173.8179.611.400111.5C271 Q272 L273 L277 N278 G279C271-Q275 WeakPolarHBondContact O-CB 3.42Å; C271-Q275 PolarHBondContact O-N 2.77Å; Q272-Q275 PolarHBondContact O-N 3.07Å; L273-Q275 VanDerWaalsContact C-N 3.34Å; L273-Q275 PolarHBondContact O-N 2.96Å; Q275-L277 VanDerWaalsContact C-N 3.33Å; Q275-L277 PolarHBondContact O-N 3Å; Q275-N278 PolarHBondContact O-N 3.07Å; Q275-G279 PolarHBondContact O-N 3.05Å
276A91.8Very high91.8Very high59 Ų5994.5 Ų94.549%0.48850%0.497SS..Hα-helixtrans-61.9-40.1175.500000111.8Q272 L273 G279 V280Q272-A276 WeakPolarHBondContact O-CB 3.44Å; Q272-A276 PolarHBondContact O-N 3.44Å; L273-A276 PolarHBondContact O-N 3.15Å; A276-G279 PolarHBondContact O-N 3.06Å; A276-V280 WeakPolarHBondContact O-CG2 3.32Å; A276-V280 PolarHBondContact O-N 2.93Å
277L92.6Very high92Very high104 Ų10490.2 Ų90.255%0.54549%0.492SS..Hα-helixtrans-63.6-40175.2-75.9171.2000112.5L273 S274 Q275 G279 V280 S281L273-L277 HydrophobicContact CD1-CG 4.44Å; L273-L277 HydrophobicContact CG-CD1 4.2Å; L273-L277 WeakPolarHBondContact O-CB 3.36Å; L273-L277 VanDerWaalsContact O-CG 3.25Å; L273-L277 WeakPolarHBondContact O-CG 3.45Å; L273-L277 PolarHBondContact O-N 3.32Å; S274-L277 PolarHBondContact O-N 3.34Å; Q275-L277 VanDerWaalsContact C-N 3.33Å; Q275-L277 PolarHBondContact O-N 3Å; L277-G279 VanDerWaalsContact C-N 3.33Å; L277-V280 PolarHBondContact O-N 2.94Å; L277-S281 WeakPolarHBondContact O-CB 3.29Å; L277-S281 PolarHBondContact O-N 3.2Å
278N92Very high92.2Very high96 Ų9689.9 Ų89.951%0.51349%0.491SS..Hα-helixtrans-60.6-44.7173.2-68.9-17.3000110.7S274 Q275 V280 S281 D282S274-N278 VanDerWaalsContact O-CG 3.29Å; S274-N278 PolarHBondContact O-N 2.89Å; S274-N278 PolarHBondContact O-ND2 2.82Å; Q275-N278 PolarHBondContact O-N 3.07Å; N278-V280 PolarHBondContact O-N 3.29Å; N278-S281 WeakPolarHBondContact O-CB 3.26Å; N278-S281 PolarHBondContact O-N 3.45Å; N278-D282 PolarHBondContact O-N 2.78Å
279G91.1Very high92.4Very high36 Ų3692.2 Ų92.237%0.37150%0.502SS..Hα-helixtrans-60.1-43176.100000113.8Q275 A276 L277 D282 K283Q275-G279 PolarHBondContact O-N 3.05Å; A276-G279 PolarHBondContact O-N 3.06Å; L277-G279 VanDerWaalsContact C-N 3.33Å; G279-D282 PolarHBondContact O-N 2.86Å; G279-K283 WeakPolarHBondContact O-CG 3.28Å; G279-K283 PolarHBondContact O-N 3.06Å
280V93Very high92.5Very high101 Ų10194 Ų9461%0.61251%0.509SS*.Hα-helixtrans-65.1-40.5174.6174.20000111.3A276 L277 N278 D282 K283 A284A276-V280 WeakPolarHBondContact O-CG2 3.32Å; A276-V280 PolarHBondContact O-N 2.93Å; L277-V280 PolarHBondContact O-N 2.94Å; N278-V280 PolarHBondContact O-N 3.29Å; V280-D282 VanDerWaalsContact C-N 3.33Å; V280-D282 PolarHBondContact O-N 2.94Å; V280-K283 PolarHBondContact O-N 3.46Å; V280-A284 WeakPolarHBondContact O-CB 3.36Å; V280-A284 PolarHBondContact O-N 2.91Å
281S93.1Very high92.6Very high59 Ų5993.7 Ų93.741%0.41351%0.512SS..Hα-helixtrans-62.3-39.9176.3178.80000112L277 N278 A284 K285L277-S281 WeakPolarHBondContact O-CB 3.29Å; L277-S281 PolarHBondContact O-N 3.2Å; N278-S281 WeakPolarHBondContact O-CB 3.26Å; N278-S281 PolarHBondContact O-N 3.45Å; S281-A284 PolarHBondContact O-N 2.85Å; S281-K285 WeakPolarHBondContact O-CG 3.29Å; S281-K285 PolarHBondContact O-N 3.1Å; S281-K285 VanDerWaalsContact O-N 3.17Å
282D93.3Very high92.8Very high74 Ų7493.4 Ų93.440%0.39651%0.507SS..Hα-helixtrans-70.4-41.9178.1-67.7-28.4000111N278 G279 V280 A284 K285 E286N278-D282 PolarHBondContact O-N 2.78Å; G279-D282 PolarHBondContact O-N 2.86Å; V280-D282 VanDerWaalsContact C-N 3.33Å; V280-D282 PolarHBondContact O-N 2.94Å; D282-A284 VanDerWaalsContact C-N 3.28Å; D282-A284 PolarHBondContact O-N 3.13Å; D282-K285 WeakPolarHBondContact O-CB 3.39Å; D282-K285 PolarHBondContact O-N 3.25Å; D282-K285 IonicContact OD1-NZ 3.44Å; D282-K285 PolarHBondContact OD1-NZ 3.34Å; D282-E286 PolarHBondContact O-N 2.85Å
283K92.1Very high92.8Very high129 Ų12994.8 Ų94.856%0.56151%0.514SS*.Hα-helixtrans-59.7-36.2171.6-71.7-73.5162.1-153.90113.1G279 V280 K285 E286 A287G279-K283 WeakPolarHBondContact O-CG 3.28Å; G279-K283 PolarHBondContact O-N 3.06Å; V280-K283 PolarHBondContact O-N 3.46Å; K283-K285 VanDerWaalsContact C-N 3.34Å; K283-E286 WeakPolarHBondContact CD-OE2 3.49Å; K283-E286 IonicContact NZ-OE1 3.75Å; K283-E286 PolarHBondContact NZ-OE1 3.14Å; K283-E286 IonicContact NZ-OE2 3.31Å; K283-E286 PolarHBondContact NZ-OE2 2.79Å; K283-E286 PolarHBondContact O-N 2.82Å; K283-A287 WeakPolarHBondContact O-CB 3.36Å; K283-A287 PolarHBondContact O-N 2.94Å
284A92.8Very high92.8Very high59 Ų5992.7 Ų92.749%0.48850%0.503SS..Hα-helixtrans-67.6-32.4174.900000112.7V280 S281 D282 K288V280-A284 WeakPolarHBondContact O-CB 3.36Å; V280-A284 PolarHBondContact O-N 2.91Å; S281-A284 PolarHBondContact O-N 2.85Å; D282-A284 VanDerWaalsContact C-N 3.28Å; D282-A284 PolarHBondContact O-N 3.13Å; A284-K288 PolarHBondContact O-N 3.16Å; A284-K288 VanDerWaalsContact O-N 3.14Å
285K94.6Very high92.8Very high115 Ų11596.8 Ų96.850%0.551%0.512SS..Hα-helixtrans-68.6-47.6172.3-66.6170.3-166.4155.30110.9S281 D282 K283 A287 K288 E289S281-K285 WeakPolarHBondContact O-CG 3.29Å; S281-K285 PolarHBondContact O-N 3.1Å; S281-K285 VanDerWaalsContact O-N 3.17Å; D282-K285 WeakPolarHBondContact O-CB 3.39Å; D282-K285 PolarHBondContact O-N 3.25Å; D282-K285 IonicContact OD1-NZ 3.44Å; D282-K285 PolarHBondContact OD1-NZ 3.34Å; K283-K285 VanDerWaalsContact C-N 3.34Å; K285-A287 VanDerWaalsContact C-N 3.29Å; K285-A287 PolarHBondContact O-N 3.38Å; K285-K288 WeakPolarHBondContact O-CA 3.47Å; K285-K288 WeakPolarHBondContact O-CB 3.5Å; K285-K288 PolarHBondContact O-N 2.93Å; K285-E289 WeakPolarHBondContact O-CG 3.18Å; K285-E289 PolarHBondContact O-N 3.43Å
286E93.9Very high92.7Very high97 Ų9794.2 Ų94.245%0.45350%0.503SS..Hα-helixtrans-55.4-45.1175.6-69.8173.9-163.100111.1D282 K283 K288 E289 F290D282-E286 PolarHBondContact O-N 2.85Å; K283-E286 WeakPolarHBondContact CD-OE2 3.49Å; K283-E286 IonicContact NZ-OE1 3.75Å; K283-E286 PolarHBondContact NZ-OE1 3.14Å; K283-E286 IonicContact NZ-OE2 3.31Å; K283-E286 PolarHBondContact NZ-OE2 2.79Å; K283-E286 PolarHBondContact O-N 2.82Å; E286-K288 VanDerWaalsContact C-N 3.32Å; E286-K288 PolarHBondContact O-N 2.94Å; E286-E289 PolarHBondContact O-N 2.98Å; E286-F290 WeakPolarHBondContact O-CB 3.38Å; E286-F290 PolarHBondContact O-N 3.45Å
287A92.1Very high92.4Very high55 Ų5595.8 Ų95.846%0.45550%0.501SS..Hα-helixtrans-62.7-37.2176.700000112.6K283 K285 L291K283-A287 WeakPolarHBondContact O-CB 3.36Å; K283-A287 PolarHBondContact O-N 2.94Å; K285-A287 VanDerWaalsContact C-N 3.29Å; K285-A287 PolarHBondContact O-N 3.38Å; A287-L291 WeakPolarHBondContact O-CG 3.38Å; A287-L291 PolarHBondContact O-N 2.95Å
288K93.8Very high92.4Very high151 Ų15195.7 Ų95.766%0.65750%0.501SS*.Hα-helixtrans-68.1-41.1175.9-173.3-178177.4-174.30111.7A284 K285 E286 L291 V292A284-K288 PolarHBondContact O-N 3.16Å; A284-K288 VanDerWaalsContact O-N 3.14Å; K285-K288 WeakPolarHBondContact O-CA 3.47Å; K285-K288 WeakPolarHBondContact O-CB 3.5Å; K285-K288 PolarHBondContact O-N 2.93Å; E286-K288 VanDerWaalsContact C-N 3.32Å; E286-K288 PolarHBondContact O-N 2.94Å; K288-L291 PolarHBondContact O-N 3.39Å; K288-V292 WeakPolarHBondContact O-CG2 3.48Å; K288-V292 PolarHBondContact O-N 2.92Å; K288-V292 VanDerWaalsContact O-N 3.1Å
289E94.4Very high92.5Very high131 Ų13195.9 Ų95.961%0.61250%0.499SS*.Hα-helixtrans-63-44.1175-71.8169.7-175.500110.9K285 E286 L291 V292 Q293K285-E289 WeakPolarHBondContact O-CG 3.18Å; K285-E289 PolarHBondContact O-N 3.43Å; E286-E289 PolarHBondContact O-N 2.98Å; E289-L291 VanDerWaalsContact C-N 3.33Å; E289-L291 PolarHBondContact O-N 3.03Å; E289-V292 WeakPolarHBondContact O-CB 3.38Å; E289-V292 PolarHBondContact O-N 3.43Å; E289-V292 VanDerWaalsContact O-N 3.08Å; E289-Q293 PolarHBondContact O-N 3.02Å
290F91.7Very high92.1Very high113 Ų11399.5 Ų99.550%0.49651%0.506SS..Hα-helixtrans-60.4-40.9174.4-175.8-116.3000112.4E286 V292 Q293 L294E286-F290 WeakPolarHBondContact O-CB 3.38Å; E286-F290 PolarHBondContact O-N 3.45Å; F290-V292 VanDerWaalsContact C-N 3.3Å; F290-V292 PolarHBondContact O-N 3.06Å; F290-Q293 WeakPolarHBondContact O-CB 3.44Å; F290-Q293 PolarHBondContact O-N 2.92Å; F290-L294 HydrophobicContact CD1-CD1 4.04Å; F290-L294 HydrophobicContact CD1-CG 4.42Å; F290-L294 HydrophobicContact CE1-CD1 3.64Å; F290-L294 HydrophobicContact CE1-CD2 4.43Å; F290-L294 HydrophobicContact CE1-CG 4.08Å; F290-L294 HydrophobicContact CE2-CD2 4.37Å; F290-L294 HydrophobicContact CE2-CG 4.39Å; F290-L294 HydrophobicContact CZ-CD1 4.06Å; F290-L294 HydrophobicContact CZ-CD2 3.99Å; F290-L294 HydrophobicContact CZ-CG 4.06Å; F290-L294 WeakPolarHBondContact O-CG 3.43Å; F290-L294 PolarHBondContact O-N 2.9Å
291L93.4Very high91.7Very high102 Ų102100 Ų10053%0.53450%0.504SS..Hα-helixtrans-61.8-36.5173.5-77.4171.6000112.8A287 K288 E289 K295A287-L291 WeakPolarHBondContact O-CG 3.38Å; A287-L291 PolarHBondContact O-N 2.95Å; K288-L291 PolarHBondContact O-N 3.39Å; E289-L291 VanDerWaalsContact C-N 3.33Å; E289-L291 PolarHBondContact O-N 3.03Å; L291-K295 WeakPolarHBondContact O-CG 3.33Å; L291-K295 PolarHBondContact O-N 2.92Å; L291-K295 VanDerWaalsContact O-N 3.15Å
292V95.7Very high91.5Very high75 Ų75103 Ų10346%0.45551%0.512SS..Hα-helixtrans-67.6-42.2174173.40000110.4K288 E289 F290 L294 K295 N296K288-V292 WeakPolarHBondContact O-CG2 3.48Å; K288-V292 PolarHBondContact O-N 2.92Å; K288-V292 VanDerWaalsContact O-N 3.1Å; E289-V292 WeakPolarHBondContact O-CB 3.38Å; E289-V292 PolarHBondContact O-N 3.43Å; E289-V292 VanDerWaalsContact O-N 3.08Å; F290-V292 VanDerWaalsContact C-N 3.3Å; F290-V292 PolarHBondContact O-N 3.06Å; V292-L294 PolarHBondContact O-N 2.79Å; V292-K295 PolarHBondContact O-N 2.79Å; V292-N296 PolarHBondContact O-N 3.06Å
293Q92Very high91.2Very high121 Ų121104.6 Ų104.657%0.56552%0.517SS*.Hα-helixtrans-59.1-45.2175.5-174.6-178.20.900112E289 F290 K295 N296 M297E289-Q293 PolarHBondContact O-N 3.02Å; F290-Q293 WeakPolarHBondContact O-CB 3.44Å; F290-Q293 PolarHBondContact O-N 2.92Å; Q293-K295 VanDerWaalsContact C-N 3.33Å; Q293-K295 PolarHBondContact O-N 2.68Å; Q293-N296 PolarHBondContact O-N 2.93Å; Q293-M297 WeakPolarHBondContact O-CB 3.41Å; Q293-M297 PolarHBondContact O-N 2.78Å
294L90.1Very high90.7Very high67 Ų67103.1 Ų103.135%0.35152%0.515SS..Hα-helixtrans-60.6-41.3176.2-72.3178000112.1F290 V292 M297 L298F290-L294 HydrophobicContact CD1-CD1 4.04Å; F290-L294 HydrophobicContact CD1-CG 4.42Å; F290-L294 HydrophobicContact CE1-CD1 3.64Å; F290-L294 HydrophobicContact CE1-CD2 4.43Å; F290-L294 HydrophobicContact CE1-CG 4.08Å; F290-L294 HydrophobicContact CE2-CD2 4.37Å; F290-L294 HydrophobicContact CE2-CG 4.39Å; F290-L294 HydrophobicContact CZ-CD1 4.06Å; F290-L294 HydrophobicContact CZ-CD2 3.99Å; F290-L294 HydrophobicContact CZ-CG 4.06Å; F290-L294 WeakPolarHBondContact O-CG 3.43Å; F290-L294 PolarHBondContact O-N 2.9Å; V292-L294 PolarHBondContact O-N 2.79Å; L294-M297 HydrophobicContact CD2-CE 3.57Å; L294-M297 PolarHBondContact O-N 2.95Å; L294-L298 PolarHBondContact O-N 3.05Å
295K92.7Very high90Very high150 Ų150101.8 Ų101.865%0.65251%0.507SS*.Hα-helixtrans-64.2-41.7176.2-74.1177.8178.9-173.10112.3L291 V292 Q293 L298 Q299L291-K295 WeakPolarHBondContact O-CG 3.33Å; L291-K295 PolarHBondContact O-N 2.92Å; L291-K295 VanDerWaalsContact O-N 3.15Å; V292-K295 PolarHBondContact O-N 2.79Å; Q293-K295 VanDerWaalsContact C-N 3.33Å; Q293-K295 PolarHBondContact O-N 2.68Å; K295-L298 PolarHBondContact O-N 2.87Å; K295-Q299 PolarHBondContact O-N 2.81Å; K295-Q299 VanDerWaalsContact O-N 3.08Å
296N91.2Very high89.8Confident85 Ų85101 Ų10146%0.45551%0.512SS..Hα-helixtrans-65.6-41.6177.1-68.6-10.9000111.5V292 Q293 L298 Q299 Q300V292-N296 PolarHBondContact O-N 3.06Å; Q293-N296 PolarHBondContact O-N 2.93Å; N296-L298 VanDerWaalsContact C-N 3.32Å; N296-L298 PolarHBondContact O-N 3.14Å; N296-Q299 PolarHBondContact O-N 2.83Å; N296-Q300 WeakPolarHBondContact O-CG 3.47Å; N296-Q300 PolarHBondContact O-N 3.15Å
297M86.1Confident89.2Confident91 Ų91103 Ų10345%0.44852%0.521SS..Hα-helixtrans-63.2-39.4176.1-177.2170.653.300111.7Q293 L294 Q299 Q300 I301Q293-M297 WeakPolarHBondContact O-CB 3.41Å; Q293-M297 PolarHBondContact O-N 2.78Å; L294-M297 HydrophobicContact CD2-CE 3.57Å; L294-M297 PolarHBondContact O-N 2.95Å; M297-Q299 VanDerWaalsContact C-N 3.34Å; M297-Q299 PolarHBondContact O-N 2.94Å; M297-Q300 PolarHBondContact O-N 2.8Å; M297-I301 HydrophobicContact CG-CD1 4.11Å; M297-I301 VanDerWaalsContact O-CG1 3.3Å; M297-I301 WeakPolarHBondContact O-CG1 3.29Å; M297-I301 PolarHBondContact O-N 2.93Å
298L91.6Very high88.6Confident102 Ų102106.2 Ų106.253%0.53453%0.525SS..Hα-helixtrans-61.6-42.3174.3-176.2145.1000111.7L294 K295 N296 I301 Q302L294-L298 PolarHBondContact O-N 3.05Å; K295-L298 PolarHBondContact O-N 2.87Å; N296-L298 VanDerWaalsContact C-N 3.32Å; N296-L298 PolarHBondContact O-N 3.14Å; L298-I301 PolarHBondContact O-N 2.67Å; L298-Q302 WeakPolarHBondContact O-CG 3.15Å; L298-Q302 PolarHBondContact O-N 3.05Å; L298-Q302 VanDerWaalsContact O-N 3.16Å
299Q93Very high88.2Confident100 Ų100105.3 Ų105.347%0.46752%0.523SS..Hα-helixtrans-63.7-44.1174.7-177.2178.3-11.500111.8K295 N296 M297 I301 Q302 E303K295-Q299 PolarHBondContact O-N 2.81Å; K295-Q299 VanDerWaalsContact O-N 3.08Å; N296-Q299 PolarHBondContact O-N 2.83Å; M297-Q299 VanDerWaalsContact C-N 3.34Å; M297-Q299 PolarHBondContact O-N 2.94Å; Q299-I301 PolarHBondContact O-N 3.39Å; Q299-Q302 WeakPolarHBondContact O-CB 3.33Å; Q299-Q302 PolarHBondContact O-N 2.8Å; Q299-Q302 VanDerWaalsContact O-N 3.15Å; Q299-E303 WeakPolarHBondContact CG-OE1 3.28Å; Q299-E303 PolarHBondContact NE2-OE1 2.87Å; Q299-E303 PolarHBondContact O-N 2.88Å
300Q82.9Confident87.7Confident113 Ų113101.9 Ų101.953%0.52852%0.517SS..Hα-helixtrans-61.2-41.4177.2-75.3177.7-2500112.5N296 M297 Q302 E303 N304N296-Q300 WeakPolarHBondContact O-CG 3.47Å; N296-Q300 PolarHBondContact O-N 3.15Å; M297-Q300 PolarHBondContact O-N 2.8Å; Q300-Q302 VanDerWaalsContact C-N 3.28Å; Q300-Q302 PolarHBondContact O-N 3.42Å; Q300-E303 PolarHBondContact O-N 3.29Å; Q300-N304 VanDerWaalsContact O-CB 3.26Å; Q300-N304 WeakPolarHBondContact O-CB 3.38Å; Q300-N304 PolarHBondContact O-N 2.88Å; Q300-N304 PolarHBondContact O-ND2 3.01Å; Q300-N304 PolarHBondContact O-OD1 2.89Å
301I84.6Confident87.1Confident112 Ų11299.5 Ų99.557%0.57451%0.514SS*.Hα-helixtrans-61.8-39.8175.9-69.5165.7000110.6M297 L298 Q299 G305M297-I301 HydrophobicContact CG-CD1 4.11Å; M297-I301 VanDerWaalsContact O-CG1 3.3Å; M297-I301 WeakPolarHBondContact O-CG1 3.29Å; M297-I301 PolarHBondContact O-N 2.93Å; L298-I301 PolarHBondContact O-N 2.67Å; Q299-I301 PolarHBondContact O-N 3.39Å; I301-G305 PolarHBondContact O-N 3.13Å
302Q89.4Confident86.7Confident122 Ų12297.6 Ų97.657%0.5750%0.504SS*.Hα-helixtrans-65.1-47176.7-71.2174-11.300112L298 Q299 Q300 G305 V306L298-Q302 WeakPolarHBondContact O-CG 3.15Å; L298-Q302 PolarHBondContact O-N 3.05Å; L298-Q302 VanDerWaalsContact O-N 3.16Å; Q299-Q302 WeakPolarHBondContact O-CB 3.33Å; Q299-Q302 PolarHBondContact O-N 2.8Å; Q299-Q302 VanDerWaalsContact O-N 3.15Å; Q300-Q302 VanDerWaalsContact C-N 3.28Å; Q300-Q302 PolarHBondContact O-N 3.42Å; Q302-G305 PolarHBondContact O-N 3.22Å; Q302-V306 WeakPolarHBondContact O-CG2 3.47Å; Q302-V306 PolarHBondContact O-N 3.32Å
303E86.8Confident86.5Confident106 Ų10697.9 Ų97.950%0.49551%0.506SS..Hα-helixtrans-64.1-48.2178.9-70.8171.7-172.900111.6Q299 Q300 G305 V306 E307Q299-E303 WeakPolarHBondContact CG-OE1 3.28Å; Q299-E303 PolarHBondContact NE2-OE1 2.87Å; Q299-E303 PolarHBondContact O-N 2.88Å; Q300-E303 PolarHBondContact O-N 3.29Å; E303-G305 VanDerWaalsContact C-N 3.28Å; E303-G305 PolarHBondContact O-N 2.88Å; E303-V306 PolarHBondContact O-N 3.24Å; E303-E307 PolarHBondContact O-N 2.74Å
304N81.6Confident86.3Confident98 Ų9894.9 Ų94.952%0.52450%0.502SS..Hα-helixtrans-62.2-35.9177.3-69-7.9000112.1Q300 E307 F308Q300-N304 VanDerWaalsContact O-CB 3.26Å; Q300-N304 WeakPolarHBondContact O-CB 3.38Å; Q300-N304 PolarHBondContact O-N 2.88Å; Q300-N304 PolarHBondContact O-ND2 3.01Å; Q300-N304 PolarHBondContact O-OD1 2.89Å; N304-E307 PolarHBondContact O-N 3.45Å; N304-F308 VanDerWaalsContact O-CB 3.28Å; N304-F308 WeakPolarHBondContact O-CB 3.24Å; N304-F308 PolarHBondContact O-N 2.8Å
305G79.3Confident86.1Confident31 Ų3197.5 Ų97.532%0.3251%0.512SS..Hα-helixtrans-61.3-46.9176.100000112I301 Q302 E303 F308 E309I301-G305 PolarHBondContact O-N 3.13Å; Q302-G305 PolarHBondContact O-N 3.22Å; E303-G305 VanDerWaalsContact C-N 3.28Å; E303-G305 PolarHBondContact O-N 2.88Å; G305-F308 PolarHBondContact O-N 3.15Å; G305-E309 WeakPolarHBondContact O-CG 3.45Å; G305-E309 PolarHBondContact O-N 2.78Å
306V90.1Very high85.9Confident99 Ų9993 Ų9360%0.650%0.499SS*.Hα-helixtrans-64.1-41.8177.3175.50000111.5Q302 E303 E309 A310Q302-V306 WeakPolarHBondContact O-CG2 3.47Å; Q302-V306 PolarHBondContact O-N 3.32Å; E303-V306 PolarHBondContact O-N 3.24Å; V306-E309 PolarHBondContact O-N 2.93Å; V306-A310 WeakPolarHBondContact O-CB 3.31Å; V306-A310 PolarHBondContact O-N 2.96Å
307E80.1Confident86Confident139 Ų13993.3 Ų93.365%0.6550%0.5SS*.Hα-helixtrans-64.2-40.9176.8-174.7171.7-16000112E303 N304 A310 C311E303-E307 PolarHBondContact O-N 2.74Å; N304-E307 PolarHBondContact O-N 3.45Å; E307-A310 PolarHBondContact O-N 3.32Å; E307-C311 WeakPolarHBondContact O-CB 3.2Å; E307-C311 PolarHBondContact O-N 2.77Å
308F79.8Confident86.3Confident123 Ų12392.5 Ų92.554%0.53950%0.504SS..Hα-helixtrans-63.7-44.4176.4-174.8-98.7000112N304 G305 A310 C311 L312 F427N304-F308 VanDerWaalsContact O-CB 3.28Å; N304-F308 WeakPolarHBondContact O-CB 3.24Å; N304-F308 PolarHBondContact O-N 2.8Å; G305-F308 PolarHBondContact O-N 3.15Å; F308-A310 VanDerWaalsContact C-N 3.35Å; F308-A310 PolarHBondContact O-N 2.82Å; F308-C311 PolarHBondContact O-N 2.78Å; F308-L312 PolarHBondContact O-N 2.96Å; F308-F427 HydrophobicContact CE1-CD1 4.2Å; F308-F427 AromaticContact CE1-CE1 3.65Å; F308-F427 HydrophobicContact CE1-CE1 3.65Å; F308-F427 HydrophobicContact CE1-CZ 4.3Å; F308-F427 AromaticContact CZ-CD1 3.93Å; F308-F427 HydrophobicContact CZ-CD1 3.93Å; F308-F427 AromaticContact CZ-CE1 3.76Å; F308-F427 HydrophobicContact CZ-CE1 3.76Å
309E85.1Confident86.3Confident131 Ų13191.9 Ų91.961%0.61250%0.501SS*.Hα-helixtrans-58.6-45.4173.9-75179.4-174.500111.7G305 V306 C311 L312 V313G305-E309 WeakPolarHBondContact O-CG 3.45Å; G305-E309 PolarHBondContact O-N 2.78Å; V306-E309 PolarHBondContact O-N 2.93Å; E309-C311 VanDerWaalsContact C-N 3.33Å; E309-C311 PolarHBondContact O-N 3.36Å; E309-L312 PolarHBondContact O-N 3.44Å; E309-V313 WeakPolarHBondContact O-CG2 3.48Å; E309-V313 PolarHBondContact O-N 3.45Å
310A84.4Confident86.3Confident60 Ų6091.6 Ų91.650%0.49650%0.501SS..Hα-helixtrans-62.4-40177.700000112.2V306 E307 F308 V313 A314V306-A310 WeakPolarHBondContact O-CB 3.31Å; V306-A310 PolarHBondContact O-N 2.96Å; E307-A310 PolarHBondContact O-N 3.32Å; F308-A310 VanDerWaalsContact C-N 3.35Å; F308-A310 PolarHBondContact O-N 2.82Å; A310-V313 PolarHBondContact O-N 2.53Å; A310-A314 WeakPolarHBondContact O-CB 3.3Å; A310-A314 PolarHBondContact O-N 3.24Å
311C79Confident86.9Confident63 Ų6391.7 Ų91.743%0.42650%0.502SS..Hα-helixtrans-63.8-45.2176.2-169.90000111.8E307 F308 E309 V313 A314 Q315E307-C311 WeakPolarHBondContact O-CB 3.2Å; E307-C311 PolarHBondContact O-N 2.77Å; F308-C311 PolarHBondContact O-N 2.78Å; E309-C311 VanDerWaalsContact C-N 3.33Å; E309-C311 PolarHBondContact O-N 3.36Å; C311-V313 PolarHBondContact O-N 3.02Å; C311-A314 PolarHBondContact O-N 3.31Å; C311-Q315 WeakPolarHBondContact O-CG 3.47Å; C311-Q315 PolarHBondContact O-N 3.18Å; C311-Q315 PolarHBondContact SG-NE2 2.95Å; C311-Q315 VanDerWaalsContact SG-NE2 3.43Å
312L85.7Confident87.2Confident61 Ų6189.1 Ų89.132%0.31950%0.498SS..Hα-helixtrans-58.5-48.2176.8175.866.1000111.6F308 E309 A314 Q315 C316 F427F308-L312 PolarHBondContact O-N 2.96Å; E309-L312 PolarHBondContact O-N 3.44Å; L312-A314 VanDerWaalsContact C-N 3.34Å; L312-A314 PolarHBondContact O-N 3.07Å; L312-Q315 PolarHBondContact O-N 3.25Å; L312-C316 PolarHBondContact O-N 3.48Å; L312-C316 PolarHBondContact O-SG 2.91Å; L312-F427 HydrophobicContact CD1-CE1 3.91Å; L312-F427 HydrophobicContact CD1-CZ 4.23Å; L312-F427 HydrophobicContact CD2-CE1 3.92Å; L312-F427 HydrophobicContact CD2-CZ 3.56Å; L312-F427 HydrophobicContact CG-CE1 4.46Å
313V91.2Very high87.3Confident81 Ų8186.8 Ų86.849%0.49149%0.489SS..Hα-helixtrans-58.6-47177.91720000110.6E309 A310 C311 Q315 C316 D317E309-V313 WeakPolarHBondContact O-CG2 3.48Å; E309-V313 PolarHBondContact O-N 3.45Å; A310-V313 PolarHBondContact O-N 2.53Å; C311-V313 PolarHBondContact O-N 3.02Å; V313-Q315 VanDerWaalsContact C-N 3.31Å; V313-Q315 PolarHBondContact O-N 3.04Å; V313-C316 PolarHBondContact O-N 3.49Å; V313-D317 PolarHBondContact O-N 3.35Å
314A86.9Confident87.7Confident59 Ų5985.8 Ų85.849%0.48849%0.49SS..Hα-helixtrans-61.1-37.7178.600000113.1A310 C311 L312 S318A310-A314 WeakPolarHBondContact O-CB 3.3Å; A310-A314 PolarHBondContact O-N 3.24Å; C311-A314 PolarHBondContact O-N 3.31Å; L312-A314 VanDerWaalsContact C-N 3.34Å; L312-A314 PolarHBondContact O-N 3.07Å; A314-S318 PolarHBondContact O-N 2.8Å; A314-S318 VanDerWaalsContact O-N 3.08Å
315Q85.5Confident88.3Confident122 Ų12288.4 Ų88.457%0.5749%0.492SS*.Hα-helixtrans-65.6-44.9175.5-71178.221.800111.7C311 L312 V313 S318 L319C311-Q315 WeakPolarHBondContact O-CG 3.47Å; C311-Q315 PolarHBondContact O-N 3.18Å; C311-Q315 PolarHBondContact SG-NE2 2.95Å; C311-Q315 VanDerWaalsContact SG-NE2 3.43Å; L312-Q315 PolarHBondContact O-N 3.25Å; V313-Q315 VanDerWaalsContact C-N 3.31Å; V313-Q315 PolarHBondContact O-N 3.04Å; Q315-S318 PolarHBondContact O-N 3.3Å; Q315-L319 PolarHBondContact O-N 3.23Å
316C89.6Confident89.1Confident54 Ų5491.6 Ų91.637%0.36550%0.499SS..Hα-helixtrans-62.4-43.5175.5-69.40000112.1L312 V313 S318 L319 I320L312-C316 PolarHBondContact O-N 3.48Å; L312-C316 PolarHBondContact O-SG 2.91Å; V313-C316 PolarHBondContact O-N 3.49Å; C316-S318 VanDerWaalsContact C-N 3.32Å; C316-S318 PolarHBondContact O-N 3.46Å; C316-L319 WeakPolarHBondContact O-CB 3.43Å; C316-L319 PolarHBondContact O-N 3.37Å; C316-I320 WeakPolarHBondContact O-CG1 3.41Å; C316-I320 PolarHBondContact O-N 3.24Å
317D93.1Very high89.2Confident92 Ų9293.7 Ų93.749%0.49250%0.5SS..Hα-helixtrans-62.8-38.2179.2-76-20.3000112.2V313 L319 I320 E321V313-D317 PolarHBondContact O-N 3.35Å; D317-L319 VanDerWaalsContact C-N 3.35Å; D317-L319 PolarHBondContact O-N 3.03Å; D317-I320 PolarHBondContact O-N 2.86Å; D317-E321 PolarHBondContact O-N 2.72Å
318S92.6Very high90Very high75 Ų7589.6 Ų89.652%0.52449%0.49SS..Hα-helixtrans-60.5-42.2174.3-176.40000112.3A314 Q315 C316 E321 A322A314-S318 PolarHBondContact O-N 2.8Å; A314-S318 VanDerWaalsContact O-N 3.08Å; Q315-S318 PolarHBondContact O-N 3.3Å; C316-S318 VanDerWaalsContact C-N 3.32Å; C316-S318 PolarHBondContact O-N 3.46Å; S318-E321 PolarHBondContact O-N 2.87Å; S318-A322 PolarHBondContact O-N 2.8Å
319L91.1Very high90.7Very high88 Ų8889.4 Ų89.446%0.46149%0.489SS..Hα-helixtrans-63.9-42.1175-66.1174.5000111.5Q315 C316 D317 E321 A322 L323 L425Q315-L319 PolarHBondContact O-N 3.23Å; C316-L319 WeakPolarHBondContact O-CB 3.43Å; C316-L319 PolarHBondContact O-N 3.37Å; D317-L319 VanDerWaalsContact C-N 3.35Å; D317-L319 PolarHBondContact O-N 3.03Å; L319-E321 VanDerWaalsContact C-N 3.34Å; L319-E321 PolarHBondContact O-N 3.06Å; L319-A322 PolarHBondContact O-N 3.24Å; L319-L323 WeakPolarHBondContact O-CG 3.26Å; L319-L323 PolarHBondContact O-N 3.12Å; L319-L425 HydrophobicContact CD1-CD1 4.15Å; L319-L425 HydrophobicContact CD1-CD2 4.4Å
320I93.4Very high91.2Very high95 Ų9585.7 Ų85.749%0.48747%0.473SS..Hα-helixtrans-62-42.3176.4-67.2167.9000110.9C316 D317 L323 T324C316-I320 WeakPolarHBondContact O-CG1 3.41Å; C316-I320 PolarHBondContact O-N 3.24Å; D317-I320 PolarHBondContact O-N 2.86Å; I320-L323 PolarHBondContact O-N 3.13Å; I320-T324 WeakPolarHBondContact O-CB 3.44Å; I320-T324 PolarHBondContact O-N 2.96Å; I320-T324 PolarHBondContact O-OG1 3.23Å
321E94.4Very high91.7Very high114 Ų11487.5 Ų87.553%0.53347%0.473SS..Hα-helixtrans-63-44.9177.4-163.3-163.3146.700111.2D317 S318 L319 L323 T324 R325D317-E321 PolarHBondContact O-N 2.72Å; S318-E321 PolarHBondContact O-N 2.87Å; L319-E321 VanDerWaalsContact C-N 3.34Å; L319-E321 PolarHBondContact O-N 3.06Å; E321-L323 PolarHBondContact O-N 2.8Å; E321-T324 PolarHBondContact O-N 3.05Å; E321-R325 WeakPolarHBondContact O-CB 3.2Å; E321-R325 PolarHBondContact O-N 3.48Å; E321-R325 IonicContact OE1-NH2 3.12Å; E321-R325 PolarHBondContact OE1-NH2 3.38Å
322A91.1Very high92.5Very high59 Ų5987.9 Ų87.949%0.48847%0.474SS..Hα-helixtrans-60.1-45177.700000112S318 L319 R325 Q326S318-A322 PolarHBondContact O-N 2.8Å; L319-A322 PolarHBondContact O-N 3.24Å; A322-R325 PolarHBondContact O-N 2.77Å; A322-Q326 PolarHBondContact O-N 2.92Å
323L92.9Very high92.9Very high73 Ų7391.4 Ų91.438%0.38249%0.487SS..Hα-helixtrans-62-43.2175.2-74.2171.2000111.8L319 I320 E321 R325 Q326 K327 L418 I422L319-L323 WeakPolarHBondContact O-CG 3.26Å; L319-L323 PolarHBondContact O-N 3.12Å; I320-L323 PolarHBondContact O-N 3.13Å; E321-L323 PolarHBondContact O-N 2.8Å; L323-R325 VanDerWaalsContact C-N 3.34Å; L323-R325 PolarHBondContact O-N 3.14Å; L323-Q326 PolarHBondContact O-N 3.08Å; L323-K327 PolarHBondContact O-N 2.98Å; L323-L418 HydrophobicContact CD2-CD2 3.68Å; L323-I422 HydrophobicContact CD1-CD1 4.2Å
324T94.9Very high93.1Very high84 Ų8490.6 Ų90.652%0.51548%0.482SS..Hα-helixtrans-63.9-40.8178.8-58.80000111.4I320 E321 K327 A328I320-T324 WeakPolarHBondContact O-CB 3.44Å; I320-T324 PolarHBondContact O-N 2.96Å; I320-T324 PolarHBondContact O-OG1 3.23Å; E321-T324 PolarHBondContact O-N 3.05Å; T324-K327 WeakPolarHBondContact O-CB 3.4Å; T324-K327 PolarHBondContact O-N 3.17Å; T324-A328 PolarHBondContact O-N 2.96Å; T324-A328 VanDerWaalsContact O-N 3.14Å
325R94.8Very high93.5Very high153 Ų15391 Ų9158%0.57748%0.478SS*.Hα-helixtrans-63.9-40.9174.3-172.6179.4-68-129.12.8111.7E321 A322 L323 A328 K329E321-R325 WeakPolarHBondContact O-CB 3.2Å; E321-R325 PolarHBondContact O-N 3.48Å; E321-R325 IonicContact OE1-NH2 3.12Å; E321-R325 PolarHBondContact OE1-NH2 3.38Å; A322-R325 PolarHBondContact O-N 2.77Å; L323-R325 VanDerWaalsContact C-N 3.34Å; L323-R325 PolarHBondContact O-N 3.14Å; R325-A328 PolarHBondContact O-N 3.21Å; R325-K329 PolarHBondContact O-N 3.17Å
326Q94.4Very high94Very high98 Ų9891.9 Ų91.946%0.45848%0.48SS..Hα-helixtrans-67.4-40.8178-170.867-9.300111.9A322 L323 A328 K329 L330A322-Q326 PolarHBondContact O-N 2.92Å; L323-Q326 PolarHBondContact O-N 3.08Å; Q326-A328 VanDerWaalsContact C-N 3.33Å; Q326-A328 PolarHBondContact O-N 2.89Å; Q326-K329 WeakPolarHBondContact O-CB 3.36Å; Q326-K329 PolarHBondContact O-N 2.9Å; Q326-L330 WeakPolarHBondContact O-CG 3.34Å; Q326-L330 PolarHBondContact O-N 2.94Å
327K94Very high94.3Very high143 Ų14392.2 Ų92.262%0.62248%0.477SS*.Hα-helixtrans-54.6-46.8172.3176.4-175.8175.4-179.30111.8L323 T324 K329 L330 L331L323-K327 PolarHBondContact O-N 2.98Å; T324-K327 WeakPolarHBondContact O-CB 3.4Å; T324-K327 PolarHBondContact O-N 3.17Å; K327-K329 VanDerWaalsContact C-N 3.35Å; K327-K329 PolarHBondContact O-N 2.89Å; K327-L330 PolarHBondContact O-N 3.24Å; K327-L331 HydrophobicContact CG-CD1 4.22Å; K327-L331 PolarHBondContact O-N 2.76Å
328A96.6Very high94.3Very high53 Ų5393.3 Ų93.344%0.43848%0.477SS..Hα-helixtrans-61.4-41.4178.800000112.5T324 R325 Q326 L331 T332T324-A328 PolarHBondContact O-N 2.96Å; T324-A328 VanDerWaalsContact O-N 3.14Å; R325-A328 PolarHBondContact O-N 3.21Å; Q326-A328 VanDerWaalsContact C-N 3.33Å; Q326-A328 PolarHBondContact O-N 2.89Å; A328-L331 PolarHBondContact O-N 3.17Å; A328-T332 PolarHBondContact O-N 3.26Å; A328-T332 PolarHBondContact O-OG1 3.16Å
329K94.4Very high94.6Very high120 Ų12095.4 Ų95.452%0.52248%0.479SS..Hα-helixtrans-62.3-43175-69.8176.9-178.1175.50112.4R325 Q326 K327 T332 K333R325-K329 PolarHBondContact O-N 3.17Å; Q326-K329 WeakPolarHBondContact O-CB 3.36Å; Q326-K329 PolarHBondContact O-N 2.9Å; K327-K329 VanDerWaalsContact C-N 3.35Å; K327-K329 PolarHBondContact O-N 2.89Å; K329-T332 WeakPolarHBondContact O-CB 3.04Å; K329-T332 PolarHBondContact O-N 3.38Å; K329-K333 PolarHBondContact O-N 2.89Å
330L94.6Very high94.8Very high52 Ų5297.6 Ų97.627%0.27248%0.482SS..Hα-helixtrans-65.1-44.3178.3-68.8173.3000111.7Q326 K327 T332 K333 V334 L413Q326-L330 WeakPolarHBondContact O-CG 3.34Å; Q326-L330 PolarHBondContact O-N 2.94Å; K327-L330 PolarHBondContact O-N 3.24Å; L330-T332 PolarHBondContact O-N 3.01Å; L330-K333 WeakPolarHBondContact O-CB 3.36Å; L330-K333 PolarHBondContact O-N 3.3Å; L330-K333 VanDerWaalsContact O-N 3.07Å; L330-V334 PolarHBondContact O-N 3.47Å; L330-L413 HydrophobicContact CD1-CD1 3.86Å; L330-L413 HydrophobicContact CD1-CD2 3.97Å; L330-L413 HydrophobicContact CD2-CD1 4.46Å
331L95.8Very high94.8Very high98 Ų9894.6 Ų94.651%0.51347%0.465SS..Hα-helixtrans-58.4-38.4174.1-76.1170.7000112K327 A328 K333 V334 T335K327-L331 HydrophobicContact CG-CD1 4.22Å; K327-L331 PolarHBondContact O-N 2.76Å; A328-L331 PolarHBondContact O-N 3.17Å; L331-K333 VanDerWaalsContact C-N 3.3Å; L331-K333 PolarHBondContact O-N 2.97Å; L331-V334 PolarHBondContact O-N 3.48Å; L331-T335 PolarHBondContact O-N 3.4Å; L331-T335 PolarHBondContact O-OG1 3.08Å; L331-T335 VanDerWaalsContact O-OG1 3.08Å
332T95.9Very high94.9Very high72 Ų7293.3 Ų93.344%0.44246%0.461SS..Hα-helixtrans-63.3-36.5177.3-55.30000111.7A328 K329 L330 T335 K336A328-T332 PolarHBondContact O-N 3.26Å; A328-T332 PolarHBondContact O-OG1 3.16Å; K329-T332 WeakPolarHBondContact O-CB 3.04Å; K329-T332 PolarHBondContact O-N 3.38Å; L330-T332 PolarHBondContact O-N 3.01Å; T332-T335 PolarHBondContact O-N 3.26Å; T332-K336 WeakPolarHBondContact O-CG 3.25Å; T332-K336 PolarHBondContact O-N 3.42Å
333K93.9Very high95.2Very high135 Ų13596.8 Ų96.859%0.58747%0.466SS*.Hα-helixtrans-64.8-44.5174.7-67.2-178.2179.1-176.90111.7K329 L330 L331 T335 K336 E337K329-K333 PolarHBondContact O-N 2.89Å; L330-K333 WeakPolarHBondContact O-CB 3.36Å; L330-K333 PolarHBondContact O-N 3.3Å; L330-K333 VanDerWaalsContact O-N 3.07Å; L331-K333 VanDerWaalsContact C-N 3.3Å; L331-K333 PolarHBondContact O-N 2.97Å; K333-T335 PolarHBondContact O-N 3.44Å; K333-K336 PolarHBondContact O-N 2.99Å; K333-E337 PolarHBondContact O-N 3.02Å
334V95.5Very high95.3Very high63 Ų6394.6 Ų94.638%0.38246%0.455SS..Hα-helixtrans-60.6-45.1176.5177.40000110.9L330 L331 K336 E337 K338 F409 L411L330-V334 PolarHBondContact O-N 3.47Å; L331-V334 PolarHBondContact O-N 3.48Å; V334-K336 PolarHBondContact O-N 3.14Å; V334-E337 PolarHBondContact O-N 3.39Å; V334-K338 WeakPolarHBondContact O-CB 3.48Å; V334-K338 PolarHBondContact O-N 3.23Å; V334-F409 HydrophobicContact CG1-CD1 4.4Å; V334-F409 HydrophobicContact CG1-CE1 4.13Å; V334-L411 HydrophobicContact CG2-CD1 3.96Å
335T95.8Very high95.2Very high68 Ų6893.5 Ų93.542%0.41745%0.448SS..Hα-helixtrans-61.5-42.9177.7-56.30000111.9L331 T332 K333 K338 E339L331-T335 PolarHBondContact O-N 3.4Å; L331-T335 PolarHBondContact O-OG1 3.08Å; L331-T335 VanDerWaalsContact O-OG1 3.08Å; T332-T335 PolarHBondContact O-N 3.26Å; K333-T335 PolarHBondContact O-N 3.44Å; T335-K338 WeakPolarHBondContact O-CB 3.49Å; T335-K338 PolarHBondContact O-N 2.84Å; T335-E339 HydrophobicContact CG2-CG 4.47Å; T335-E339 WeakPolarHBondContact O-CB 3.33Å; T335-E339 WeakPolarHBondContact O-CG 3.49Å; T335-E339 PolarHBondContact O-N 3.05Å
336K95.7Very high95.3Very high140 Ų14093.8 Ų93.861%0.60945%0.449SS*.Hα-helixtrans-63-43.8177.2-76.4-179.3177.6-174.90112.7T332 K333 V334 K338 E339 Y340T332-K336 WeakPolarHBondContact O-CG 3.25Å; T332-K336 PolarHBondContact O-N 3.42Å; K333-K336 PolarHBondContact O-N 2.99Å; V334-K336 PolarHBondContact O-N 3.14Å; K336-K338 VanDerWaalsContact C-N 3.33Å; K336-E339 PolarHBondContact O-N 2.67Å; K336-Y340 WeakPolarHBondContact O-CB 3.28Å; K336-Y340 PolarHBondContact O-N 3.39Å
337E94.3Very high95.3Very high62 Ų6293.4 Ų93.429%0.2945%0.45SS..Hα-helixtrans-62.3-43.2176.7-174.960.4-156.100111.1K333 V334 Y340 K341 F409 L411K333-E337 PolarHBondContact O-N 3.02Å; V334-E337 PolarHBondContact O-N 3.39Å; E337-Y340 PolarHBondContact O-N 3.21Å; E337-K341 HydrophobicContact CG-CD 4.45Å; E337-K341 WeakPolarHBondContact O-CG 3.18Å; E337-K341 PolarHBondContact O-N 3.29Å; E337-K341 WeakPolarHBondContact OE1-CE 3.42Å; E337-F409 HydrophobicContact CB-CD1 4.22Å; E337-F409 HydrophobicContact CB-CE1 4.14Å; E337-F409 HydrophobicContact CG-CD1 3.89Å; E337-F409 HydrophobicContact CG-CE1 4.09Å; E337-L411 HydrophobicContact CB-CD1 4.36Å
338K95.1Very high95.2Very high115 Ų11588.1 Ų88.150%0.543%0.428SS..Hα-helixtrans-58.7-49.6175-179.3-175.1173-178.40111.6V334 T335 K336 Y340 K341 L342 F409V334-K338 WeakPolarHBondContact O-CB 3.48Å; V334-K338 PolarHBondContact O-N 3.23Å; T335-K338 WeakPolarHBondContact O-CB 3.49Å; T335-K338 PolarHBondContact O-N 2.84Å; K336-K338 VanDerWaalsContact C-N 3.33Å; K338-Y340 VanDerWaalsContact C-N 3.34Å; K338-K341 PolarHBondContact O-N 3.29Å; K338-L342 HydrophobicContact CG-CD1 4.04Å; K338-L342 HydrophobicContact CG-CG 4.5Å; K338-L342 WeakPolarHBondContact O-CB 3.5Å; K338-L342 WeakPolarHBondContact O-CG 3.36Å; K338-L342 PolarHBondContact O-N 3.08Å; K338-F409 HydrophobicContact CB-CE1 3.95Å; K338-F409 HydrophobicContact CB-CZ 3.79Å; K338-F409 HydrophobicContact CG-CZ 4.25Å
339E96.9Very high95Very high119 Ų11990.5 Ų90.556%0.55643%0.432SS*.Hα-helixtrans-62.7-41.7-180-75.8174179.900111.8T335 K336 K343T335-E339 HydrophobicContact CG2-CG 4.47Å; T335-E339 WeakPolarHBondContact O-CB 3.33Å; T335-E339 WeakPolarHBondContact O-CG 3.49Å; T335-E339 PolarHBondContact O-N 3.05Å; K336-E339 PolarHBondContact O-N 2.67Å; E339-K343 VanDerWaalsContact O-CB 3.29Å; E339-K343 WeakPolarHBondContact O-CB 3.38Å; E339-K343 PolarHBondContact O-N 2.87Å
340Y95.8Very high95Very high134 Ų13488.3 Ų88.353%0.52543%0.429SS..Hα-helixtrans-59.5-54175170-106.5000111.5K336 E337 K338 L342 K343 V344 V405K336-Y340 WeakPolarHBondContact O-CB 3.28Å; K336-Y340 PolarHBondContact O-N 3.39Å; E337-Y340 PolarHBondContact O-N 3.21Å; K338-Y340 VanDerWaalsContact C-N 3.34Å; Y340-L342 PolarHBondContact O-N 3.11Å; Y340-K343 WeakPolarHBondContact O-CB 3.4Å; Y340-K343 PolarHBondContact O-N 3.04Å; Y340-K343 VanDerWaalsContact O-N 3.16Å; Y340-V344 HydrophobicContact CD2-CG2 4.21Å; Y340-V344 HydrophobicContact CE1-CG2 4.27Å; Y340-V344 HydrophobicContact CE2-CG2 3.76Å; Y340-V344 WeakPolarHBondContact O-CG2 3.32Å; Y340-V344 PolarHBondContact O-N 2.81Å; Y340-V405 HydrophobicContact CE1-CG1 4.4Å
341K94.6Very high94.8Very high32 Ų3291.6 Ų91.614%0.13944%0.442CS..Hα-helixtrans-59.9-45.3179.2-71.4-176173.7-1380112.2E337 K338 K343 V344 V345 V405 G406 D408E337-K341 HydrophobicContact CG-CD 4.45Å; E337-K341 WeakPolarHBondContact O-CG 3.18Å; E337-K341 PolarHBondContact O-N 3.29Å; E337-K341 WeakPolarHBondContact OE1-CE 3.42Å; K338-K341 PolarHBondContact O-N 3.29Å; K341-K343 VanDerWaalsContact C-N 3.3Å; K341-K343 PolarHBondContact O-N 2.85Å; K341-V344 PolarHBondContact O-N 3.43Å; K341-V345 WeakPolarHBondContact O-CG2 3.35Å; K341-V345 PolarHBondContact O-N 3.44Å; K341-V405 HydrophobicContact CB-CG2 4.31Å; K341-V405 HydrophobicContact CG-CB 4.34Å; K341-V405 HydrophobicContact CG-CG2 4.42Å; K341-G406 PolarHBondContact NZ-O 3.47Å; K341-D408 PolarHBondContact NZ-O 3.42Å
342L95.7Very high94.6Very high87 Ų8788.9 Ų88.946%0.45543%0.431SS..Hα-helixtrans-59.3-41.7176.1-78.5176000112K338 Y340 R346K338-L342 HydrophobicContact CG-CD1 4.04Å; K338-L342 HydrophobicContact CG-CG 4.5Å; K338-L342 WeakPolarHBondContact O-CB 3.5Å; K338-L342 WeakPolarHBondContact O-CG 3.36Å; K338-L342 PolarHBondContact O-N 3.08Å; Y340-L342 PolarHBondContact O-N 3.11Å; L342-R346 VanDerWaalsContact O-CB 3.25Å; L342-R346 WeakPolarHBondContact O-CB 3.25Å; L342-R346 PolarHBondContact O-N 2.84Å
343K96.8Very high94.4Very high132 Ų13289.5 Ų89.557%0.57444%0.435SS*.Hα-helixtrans-62.9-49.4177-175.6-179.1177.5-176.80111.1E339 Y340 K341 V345 R346 D347E339-K343 VanDerWaalsContact O-CB 3.29Å; E339-K343 WeakPolarHBondContact O-CB 3.38Å; E339-K343 PolarHBondContact O-N 2.87Å; Y340-K343 WeakPolarHBondContact O-CB 3.4Å; Y340-K343 PolarHBondContact O-N 3.04Å; Y340-K343 VanDerWaalsContact O-N 3.16Å; K341-K343 VanDerWaalsContact C-N 3.3Å; K341-K343 PolarHBondContact O-N 2.85Å; K343-V345 VanDerWaalsContact C-N 3.34Å; K343-V345 PolarHBondContact O-N 2.96Å; K343-R346 PolarHBondContact O-N 2.77Å; K343-D347 WeakPolarHBondContact O-CB 3.26Å; K343-D347 VanDerWaalsContact O-CG 3.24Å; K343-D347 PolarHBondContact O-N 3.49Å
344V94.9Very high94.3Very high26 Ų2688.8 Ų88.816%0.15844%0.435CS..Hα-helixtrans-58.1-45.6179.81740000111.6Y340 K341 D347 Q348 K404 V405Y340-V344 HydrophobicContact CD2-CG2 4.21Å; Y340-V344 HydrophobicContact CE1-CG2 4.27Å; Y340-V344 HydrophobicContact CE2-CG2 3.76Å; Y340-V344 WeakPolarHBondContact O-CG2 3.32Å; Y340-V344 PolarHBondContact O-N 2.81Å; K341-V344 PolarHBondContact O-N 3.43Å; V344-D347 PolarHBondContact O-N 3.19Å; V344-Q348 PolarHBondContact O-N 3.31Å; V344-K404 HydrophobicContact CG1-CB 3.81Å; V344-K404 HydrophobicContact CG1-CD 4.41Å; V344-V405 HydrophobicContact CB-CG1 4.38Å; V344-V405 HydrophobicContact CB-CG2 4.2Å; V344-V405 HydrophobicContact CG1-CG1 4.05Å; V344-V405 HydrophobicContact CG1-CG2 4.05Å
345V94.3Very high94Very high61 Ų6187.1 Ų87.137%0.3742%0.423SS..Hα-helixtrans-66.4-43.6178.7174.70000111.2K341 K343 D347 Q348 I349 V405K341-V345 WeakPolarHBondContact O-CG2 3.35Å; K341-V345 PolarHBondContact O-N 3.44Å; K343-V345 VanDerWaalsContact C-N 3.34Å; K343-V345 PolarHBondContact O-N 2.96Å; V345-D347 VanDerWaalsContact C-N 3.32Å; V345-D347 PolarHBondContact O-N 2.91Å; V345-Q348 PolarHBondContact O-N 3.1Å; V345-I349 HydrophobicContact CG1-CD1 3.93Å; V345-I349 HydrophobicContact CG1-CG1 4.44Å; V345-I349 WeakPolarHBondContact O-CG1 3.38Å; V345-I349 PolarHBondContact O-N 3.25Å; V345-V405 HydrophobicContact CG2-CG2 3.59Å
346R95.8Very high93.8Very high159 Ų15988.7 Ų88.760%0.643%0.428SS*.Hα-helixtrans-62.4-39.5178.2-170.6-179.9-71.9137.7-4.5111.8L342 K343 I349 T350L342-R346 VanDerWaalsContact O-CB 3.25Å; L342-R346 WeakPolarHBondContact O-CB 3.25Å; L342-R346 PolarHBondContact O-N 2.84Å; K343-R346 PolarHBondContact O-N 2.77Å; R346-I349 PolarHBondContact O-N 3.31Å; R346-T350 PolarHBondContact O-N 3.36Å; R346-T350 PolarHBondContact O-OG1 2.58Å
347D94.4Very high93.7Very high90 Ų9092 Ų9248%0.48144%0.437SS..Hα-helixtrans-67.2-40.8176.4-68.5-12.8000111.1K343 V344 V345 T350 H351K343-D347 WeakPolarHBondContact O-CB 3.26Å; K343-D347 VanDerWaalsContact O-CG 3.24Å; K343-D347 PolarHBondContact O-N 3.49Å; V344-D347 PolarHBondContact O-N 3.19Å; V345-D347 VanDerWaalsContact C-N 3.32Å; V345-D347 PolarHBondContact O-N 2.91Å; D347-T350 PolarHBondContact O-N 3.02Å; D347-H351 WeakPolarHBondContact O-CB 3.29Å; D347-H351 PolarHBondContact O-N 2.98Å
348Q92.1Very high93.5Very high33 Ų3395.7 Ų95.715%0.15445%0.454CS..Hα-helixtrans-62.2-44.1173.4-81.2-168.2-69.100112.6V344 V345 T350 H351 C352 E402 K404V344-Q348 PolarHBondContact O-N 3.31Å; V345-Q348 PolarHBondContact O-N 3.1Å; Q348-T350 VanDerWaalsContact C-N 3.33Å; Q348-T350 PolarHBondContact O-N 3.42Å; Q348-H351 PolarHBondContact O-N 3.01Å; Q348-C352 WeakPolarHBondContact O-CB 3.15Å; Q348-C352 PolarHBondContact O-N 3.16Å; Q348-C352 PolarHBondContact O-SG 2.82Å; Q348-E402 PolarHBondContact NE2-O 3.46Å; Q348-E402 VanDerWaalsContact NE2-O 3.13Å; Q348-K404 HydrophobicContact CG-CD 3.92Å; Q348-K404 HydrophobicContact CG-CG 4.47Å; Q348-K404 VanDerWaalsContact NE2-CG 3.3Å
349I93.1Very high93.3Very high102 Ų10291.9 Ų91.952%0.52344%0.44SS..Hα-helixtrans-58.9-47.5176.5-70.5167.7000109.9V345 R346 H351 C352 T353V345-I349 HydrophobicContact CG1-CD1 3.93Å; V345-I349 HydrophobicContact CG1-CG1 4.44Å; V345-I349 WeakPolarHBondContact O-CG1 3.38Å; V345-I349 PolarHBondContact O-N 3.25Å; R346-I349 PolarHBondContact O-N 3.31Å; I349-H351 PolarHBondContact O-N 2.87Å; I349-C352 PolarHBondContact O-N 2.8Å; I349-T353 VanDerWaalsContact O-CB 3.31Å; I349-T353 WeakPolarHBondContact O-CB 3.41Å; I349-T353 PolarHBondContact O-N 2.94Å; I349-T353 PolarHBondContact O-OG1 3.02Å
350T94.3Very high93.2Very high74 Ų7488.7 Ų88.745%0.45443%0.429SS..Hα-helixtrans-61.3-46.7-179.8-53.10000110.9R346 D347 Q348 T353 M354R346-T350 PolarHBondContact O-N 3.36Å; R346-T350 PolarHBondContact O-OG1 2.58Å; D347-T350 PolarHBondContact O-N 3.02Å; Q348-T350 VanDerWaalsContact C-N 3.33Å; Q348-T350 PolarHBondContact O-N 3.42Å; T350-T353 PolarHBondContact O-N 3.06Å; T350-M354 WeakPolarHBondContact O-CG 3.45Å; T350-M354 PolarHBondContact O-N 3.24Å
351H90.7Very high93.1Very high121 Ų12184 Ų8456%0.5642%0.421SS*.Hα-helixtrans-61.6-47.9178.4-176.172.9000112.6D347 Q348 I349 T353 M354 K355D347-H351 WeakPolarHBondContact O-CB 3.29Å; D347-H351 PolarHBondContact O-N 2.98Å; Q348-H351 PolarHBondContact O-N 3.01Å; I349-H351 PolarHBondContact O-N 2.87Å; H351-T353 VanDerWaalsContact C-N 3.34Å; H351-T353 PolarHBondContact O-N 3.02Å; H351-M354 PolarHBondContact O-N 3.17Å; H351-K355 WeakPolarHBondContact O-CB 3.42Å; H351-K355 PolarHBondContact O-N 3.11Å
352C90.6Very high93.1Very high41 Ų4183.7 Ų83.728%0.27742%0.42SS..Hα-helixtrans-62.7-41.8178.1-69.30000111.7Q348 I349 M354 K355 L356Q348-C352 WeakPolarHBondContact O-CB 3.15Å; Q348-C352 PolarHBondContact O-N 3.16Å; Q348-C352 PolarHBondContact O-SG 2.82Å; I349-C352 PolarHBondContact O-N 2.8Å; C352-M354 PolarHBondContact O-N 3.43Å; C352-K355 PolarHBondContact O-N 3.49Å; C352-L356 VanDerWaalsContact O-CB 3.26Å; C352-L356 WeakPolarHBondContact O-CB 3.41Å; C352-L356 PolarHBondContact O-N 3.08Å
353T92.1Very high93Very high86 Ų8685 Ų8553%0.52843%0.426SS..Hα-helixtrans-62.1-45.1178.6-56.50000111.4I349 T350 H351 R357I349-T353 VanDerWaalsContact O-CB 3.31Å; I349-T353 WeakPolarHBondContact O-CB 3.41Å; I349-T353 PolarHBondContact O-N 2.94Å; I349-T353 PolarHBondContact O-OG1 3.02Å; T350-T353 PolarHBondContact O-N 3.06Å; H351-T353 VanDerWaalsContact C-N 3.34Å; H351-T353 PolarHBondContact O-N 3.02Å; T353-R357 WeakPolarHBondContact O-CB 3.32Å; T353-R357 PolarHBondContact O-N 3.23Å
354M91.8Very high92.9Very high119 Ų11984.6 Ų84.659%0.58643%0.426SS*.Hα-helixtrans-63.7-45177.8-73.1-165.173.300112.1T350 H351 C352 R357 Q358T350-M354 WeakPolarHBondContact O-CG 3.45Å; T350-M354 PolarHBondContact O-N 3.24Å; H351-M354 PolarHBondContact O-N 3.17Å; C352-M354 PolarHBondContact O-N 3.43Å; M354-R357 PolarHBondContact O-N 2.92Å; M354-Q358 PolarHBondContact O-N 3.22Å
355K89.3Confident92.9Very high29 Ų2988.9 Ų88.913%0.12644%0.44CS..Hα-helixtrans-65.4-42.5179.5-165176.9-179.9-1800111.8H351 C352 R357 Q358 T359 Q395 W396H351-K355 WeakPolarHBondContact O-CB 3.42Å; H351-K355 PolarHBondContact O-N 3.11Å; C352-K355 PolarHBondContact O-N 3.49Å; K355-R357 VanDerWaalsContact C-N 3.34Å; K355-R357 PolarHBondContact O-N 3Å; K355-Q358 PolarHBondContact O-N 3.34Å; K355-T359 PolarHBondContact O-N 3.07Å; K355-T359 PolarHBondContact O-OG1 2.98Å; K355-Q395 PolarHBondContact NZ-O 3.47Å; K355-W396 HydrophobicContact CB-CH2 4.37Å; K355-W396 HydrophobicContact CB-CZ2 4.2Å; K355-W396 HydrophobicContact CD-CH2 4.28Å; K355-W396 HydrophobicContact CD-CZ2 4.02Å; K355-W396 HydrophobicContact CG-CH2 4.28Å; K355-W396 HydrophobicContact CG-CZ2 3.76Å
356L90.8Very high92.9Very high100 Ų10086.9 Ų86.952%0.52443%0.428SS..Hα-helixtrans-59.5-44.6175.3-172.669.5000111.4C352 Q358 T359 T360 W396C352-L356 VanDerWaalsContact O-CB 3.26Å; C352-L356 WeakPolarHBondContact O-CB 3.41Å; C352-L356 PolarHBondContact O-N 3.08Å; L356-Q358 PolarHBondContact O-N 3.47Å; L356-T359 PolarHBondContact O-N 3.45Å; L356-T360 WeakPolarHBondContact O-CB 3.24Å; L356-T360 PolarHBondContact O-N 3.03Å; L356-T360 PolarHBondContact O-OG1 2.93Å; L356-W396 HydrophobicContact CB-CH2 4.47Å; L356-W396 HydrophobicContact CD1-CH2 4.49Å
357R93.6Very high92.8Very high209 Ų20984 Ų8479%0.78943%0.425SS*.Hα-helixtrans-61-43176.2-173.8178.5178.4175.80.3112T353 M354 K355 G361T353-R357 WeakPolarHBondContact O-CB 3.32Å; T353-R357 PolarHBondContact O-N 3.23Å; M354-R357 PolarHBondContact O-N 2.92Å; K355-R357 VanDerWaalsContact C-N 3.34Å; K355-R357 PolarHBondContact O-N 3Å; R357-G361 PolarHBondContact O-N 3.47Å
358Q91.6Very high92.8Very high141 Ų14185 Ų8566%0.65943%0.427SS*.Hα-helixtrans-64.1-47176.3-79.8-177.9-10.900112.4M354 K355 L356 T360 G361 M362M354-Q358 PolarHBondContact O-N 3.22Å; K355-Q358 PolarHBondContact O-N 3.34Å; L356-Q358 PolarHBondContact O-N 3.47Å; Q358-T360 VanDerWaalsContact C-N 3.33Å; Q358-T360 PolarHBondContact O-N 2.88Å; Q358-G361 PolarHBondContact O-N 2.87Å; Q358-M362 WeakPolarHBondContact O-CB 3.28Å; Q358-M362 PolarHBondContact O-N 3.03Å
359T90.9Very high92.9Very high34 Ų3484.2 Ų84.221%0.20942%0.424CS..Hα-helixtrans-64.3-38.9178.5-55.70000111.3K355 L356 M362 M363 S392 W396K355-T359 PolarHBondContact O-N 3.07Å; K355-T359 PolarHBondContact O-OG1 2.98Å; L356-T359 PolarHBondContact O-N 3.45Å; T359-M362 PolarHBondContact O-N 3.21Å; T359-M363 WeakPolarHBondContact O-CB 3.45Å; T359-M363 PolarHBondContact O-N 2.98Å; T359-S392 PolarHBondContact OG1-OG 3.37Å; T359-W396 PolarHBondContact OG1-NE1 3.49Å
360T93.6Very high92.9Very high53 Ų5385 Ų8533%0.32543%0.428SS..Hα-helixtrans-63.1-50.8177-54.70000111.4L356 Q358 M362 M363 E364L356-T360 WeakPolarHBondContact O-CB 3.24Å; L356-T360 PolarHBondContact O-N 3.03Å; L356-T360 PolarHBondContact O-OG1 2.93Å; Q358-T360 VanDerWaalsContact C-N 3.33Å; Q358-T360 PolarHBondContact O-N 2.88Å; T360-M362 VanDerWaalsContact C-N 3.3Å; T360-M362 PolarHBondContact O-N 3.31Å; T360-M363 WeakPolarHBondContact O-CB 3.45Å; T360-M363 PolarHBondContact O-N 3.23Å; T360-M363 VanDerWaalsContact O-N 3.12Å; T360-E364 WeakPolarHBondContact O-CG 3.47Å; T360-E364 PolarHBondContact O-N 3.15Å
361G94.9Very high92.9Very high34 Ų3487.6 Ų87.635%0.35143%0.433SS..Hα-helixtrans-64.6-34.1178.500000113.1R357 Q358 Y365R357-G361 PolarHBondContact O-N 3.47Å; Q358-G361 PolarHBondContact O-N 2.87Å; G361-Y365 WeakPolarHBondContact O-CB 3.36Å; G361-Y365 PolarHBondContact O-N 2.9Å
362M93.7Very high93.1Very high26 Ų2687.4 Ų87.413%0.12843%0.433CS..Hα-helixtrans-65.7-41.7172.5-174.4174.865.100111.6Q358 T359 T360 Y365 C366 R388 V389Q358-M362 WeakPolarHBondContact O-CB 3.28Å; Q358-M362 PolarHBondContact O-N 3.03Å; T359-M362 PolarHBondContact O-N 3.21Å; T360-M362 VanDerWaalsContact C-N 3.3Å; T360-M362 PolarHBondContact O-N 3.31Å; M362-Y365 PolarHBondContact O-N 2.82Å; M362-C366 PolarHBondContact O-N 2.93Å; M362-C366 PolarHBondContact O-SG 2.88Å; M362-R388 HydrophobicContact SD-CB 4.27Å; M362-V389 HydrophobicContact CE-CG2 4.13Å; M362-V389 HydrophobicContact CG-CG2 4.48Å; M362-V389 HydrophobicContact SD-CG2 4.25Å
363M93.3Very high93.1Very high114 Ų11492.8 Ų92.856%0.56246%0.459SS*.Hα-helixtrans-63.1-46.9176.8-174.3164.869.600111.3T359 T360 Y365 C366 L367T359-M363 WeakPolarHBondContact O-CB 3.45Å; T359-M363 PolarHBondContact O-N 2.98Å; T360-M363 WeakPolarHBondContact O-CB 3.45Å; T360-M363 PolarHBondContact O-N 3.23Å; T360-M363 VanDerWaalsContact O-N 3.12Å; M363-Y365 VanDerWaalsContact C-N 3.34Å; M363-Y365 PolarHBondContact O-N 2.78Å; M363-C366 PolarHBondContact O-N 2.81Å; M363-L367 HydrophobicContact CG-CD1 4.44Å; M363-L367 WeakPolarHBondContact O-CG 3.37Å; M363-L367 PolarHBondContact O-N 3.49Å
364E94.4Very high93.2Very high125 Ų12592 Ų9258%0.58445%0.452SS*.Hα-helixtrans-56.9-44.8174.7-71.4172.1172.500111.9T360 L367 E368T360-E364 WeakPolarHBondContact O-CG 3.47Å; T360-E364 PolarHBondContact O-N 3.15Å; E364-L367 PolarHBondContact O-N 3.02Å; E364-E368 PolarHBondContact O-N 2.9Å; E364-E368 VanDerWaalsContact O-N 3.09Å
365Y95.4Very high93.2Very high115 Ų11590.9 Ų90.945%0.45145%0.453SS..Hα-helixtrans-63-43.3175.6177.3-109.9000112.6G361 M362 M363 L367 E368 V369 L385G361-Y365 WeakPolarHBondContact O-CB 3.36Å; G361-Y365 PolarHBondContact O-N 2.9Å; M362-Y365 PolarHBondContact O-N 2.82Å; M363-Y365 VanDerWaalsContact C-N 3.34Å; M363-Y365 PolarHBondContact O-N 2.78Å; Y365-L367 VanDerWaalsContact C-N 3.3Å; Y365-L367 PolarHBondContact O-N 3.21Å; Y365-E368 PolarHBondContact O-N 3.18Å; Y365-V369 HydrophobicContact CD1-CG2 4.33Å; Y365-V369 HydrophobicContact CD2-CG2 4.39Å; Y365-V369 HydrophobicContact CE1-CG2 3.88Å; Y365-V369 HydrophobicContact CE2-CG2 3.93Å; Y365-V369 WeakPolarHBondContact O-CG2 3.35Å; Y365-V369 PolarHBondContact O-N 3.34Å; Y365-L385 HydrophobicContact CD1-CD1 3.88Å; Y365-L385 HydrophobicContact CD1-CD2 4.45Å; Y365-L385 HydrophobicContact CE1-CD1 3.59Å; Y365-L385 HydrophobicContact CE1-CD2 4.32Å
366C94.6Very high93.3Very high19 Ų1992.9 Ų92.913%0.12847%0.47CS..Hα-helixtrans-61.2-40.5175.9-64.80000111.3M362 M363 E368 V369 L370 L385 V389M362-C366 PolarHBondContact O-N 2.93Å; M362-C366 PolarHBondContact O-SG 2.88Å; M363-C366 PolarHBondContact O-N 2.81Å; C366-E368 VanDerWaalsContact C-N 3.29Å; C366-E368 PolarHBondContact O-N 3.41Å; C366-V369 PolarHBondContact O-N 3.33Å; C366-L370 VanDerWaalsContact O-CG 3.26Å; C366-L370 WeakPolarHBondContact O-CG 3.48Å; C366-L370 PolarHBondContact O-N 2.89Å; C366-L385 HydrophobicContact CB-CD2 4.2Å; C366-L385 VanDerWaalsContact SG-CD2 3.51Å; C366-V389 VanDerWaalsContact SG-CG2 3.58Å
367L93.6Very high93.3Very high100 Ų10089.2 Ų89.252%0.52446%0.457SS..Hα-helixtrans-63.3-34.2176.5-70.8173000112.5M363 E364 Y365 L370M363-L367 HydrophobicContact CG-CD1 4.44Å; M363-L367 WeakPolarHBondContact O-CG 3.37Å; M363-L367 PolarHBondContact O-N 3.49Å; E364-L367 PolarHBondContact O-N 3.02Å; Y365-L367 VanDerWaalsContact C-N 3.3Å; Y365-L367 PolarHBondContact O-N 3.21Å; L367-L370 HydrophobicContact CD2-CD1 4.5Å
368E94.3Very high93.4Very high111 Ų11182.4 Ų82.452%0.51943%0.433SS..Hα-helixtrans-72.9-43.7175.5-157.561.5-150.500111.9E364 Y365 C366 L370 K371E364-E368 PolarHBondContact O-N 2.9Å; E364-E368 VanDerWaalsContact O-N 3.09Å; Y365-E368 PolarHBondContact O-N 3.18Å; C366-E368 VanDerWaalsContact C-N 3.29Å; C366-E368 PolarHBondContact O-N 3.41Å; E368-L370 PolarHBondContact O-N 3.03Å; E368-K371 WeakPolarHBondContact O-CB 3.43Å; E368-K371 PolarHBondContact O-N 3.41Å; E368-K371 IonicContact OE1-NZ 3.44Å; E368-K371 PolarHBondContact OE1-NZ 3.22Å; E368-K371 IonicContact OE2-NZ 2.68Å; E368-K371 PolarHBondContact OE2-NZ 3.22Å
369V94Very high93.5Very high15 Ų1581.4 Ų81.49%0.09143%0.432CS..Hα-helixtrans-58.6-34.6175.6169.80000111.9Y365 C366 K371 E372 F378 I381 L385Y365-V369 HydrophobicContact CD1-CG2 4.33Å; Y365-V369 HydrophobicContact CD2-CG2 4.39Å; Y365-V369 HydrophobicContact CE1-CG2 3.88Å; Y365-V369 HydrophobicContact CE2-CG2 3.93Å; Y365-V369 WeakPolarHBondContact O-CG2 3.35Å; Y365-V369 PolarHBondContact O-N 3.34Å; C366-V369 PolarHBondContact O-N 3.33Å; V369-K371 PolarHBondContact O-N 2.79Å; V369-E372 VanDerWaalsContact O-CB 3.32Å; V369-E372 WeakPolarHBondContact O-CB 3.4Å; V369-E372 PolarHBondContact O-N 3.28Å; V369-F378 HydrophobicContact CG1-CD2 4.02Å; V369-F378 HydrophobicContact CG1-CE2 4.05Å; V369-I381 HydrophobicContact CB-CD1 4.47Å; V369-I381 HydrophobicContact CG1-CD1 3.68Å; V369-I381 HydrophobicContact CG1-CG1 4.32Å; V369-I381 HydrophobicContact CG2-CD1 3.88Å; V369-L385 HydrophobicContact CB-CD2 4.39Å; V369-L385 HydrophobicContact CG1-CD2 4.33Å; V369-L385 HydrophobicContact CG2-CD2 4.38Å
370L94.1Very high93.6Very high119 Ų11987.6 Ų87.662%0.62346%0.458SS*.THydrogen-bonded Turntrans-66.3-14.3176.8-74170.1000114.1C366 L367 E368 E372 F378C366-L370 VanDerWaalsContact O-CG 3.26Å; C366-L370 WeakPolarHBondContact O-CG 3.48Å; C366-L370 PolarHBondContact O-N 2.89Å; L367-L370 HydrophobicContact CD2-CD1 4.5Å; E368-L370 PolarHBondContact O-N 3.03Å; L370-E372 VanDerWaalsContact C-N 3.35Å; L370-F378 HydrophobicContact CD2-CE2 4.29Å; L370-F378 HydrophobicContact CD2-CZ 4.48Å
371K94Very high93.5Very high128 Ų12888.4 Ų88.456%0.55746%0.46SS*.THydrogen-bonded Turntrans-86.5-5.7176-59.9172.4-173.2167.80113.3E368 V369E368-K371 WeakPolarHBondContact O-CB 3.43Å; E368-K371 PolarHBondContact O-N 3.41Å; E368-K371 IonicContact OE1-NZ 3.44Å; E368-K371 PolarHBondContact OE1-NZ 3.22Å; E368-K371 IonicContact OE2-NZ 2.68Å; E368-K371 PolarHBondContact OE2-NZ 3.22Å; V369-K371 PolarHBondContact O-N 2.79Å
372E93.6Very high93.4Very high117 Ų11787.4 Ų87.455%0.54745%0.448SS..  trans-67.9135.1-174.7-166.950-128.900111.7V369 L370V369-E372 VanDerWaalsContact O-CB 3.32Å; V369-E372 WeakPolarHBondContact O-CB 3.4Å; V369-E372 PolarHBondContact O-N 3.28Å; L370-E372 VanDerWaalsContact C-N 3.35Å
373N91.7Very high93.4Very high155 Ų15591.6 Ų91.683%0.82947%0.47SS*.  trans-100.4-10.1-173.8-69.8-56.9000113.6P375N373-P375 WeakPolarHBondContact O-CD 3.35Å
374D93.7Very high93.4Very high70 Ų7089.1 Ų89.137%0.37447%0.468SS..  trans-88.1113.3173.1172.528.9000111.5S376 G377 F378D374-S376 VanDerWaalsContact CG-OG 3.31Å; D374-S376 PolarHBondContact O-N 3.46Å; D374-S376 PolarHBondContact OD1-N 3.08Å; D374-S376 PolarHBondContact OD1-OG 3.44Å; D374-S376 PolarHBondContact OD2-OG 3.04Å; D374-G377 WeakPolarHBondContact OD2-CA 3.26Å; D374-G377 PolarHBondContact OD2-N 3.28Å; D374-F378 WeakPolarHBondContact O-CB 3.41Å; D374-F378 PolarHBondContact O-N 3.41Å; D374-F378 VanDerWaalsContact O-N 3.13Å
375P92.3Very high93.4Very high94 Ų9484 Ų8461%0.6145%0.445SS*.Hα-helixtrans-61.3-31.5179.5-22.433.8000113.4N373 L379N373-P375 WeakPolarHBondContact O-CD 3.35Å; P375-L379 WeakPolarHBondContact O-CB 3.37Å; P375-L379 VanDerWaalsContact O-CG 3.32Å; P375-L379 WeakPolarHBondContact O-CG 3.14Å; P375-L379 PolarHBondContact O-N 3.22Å
376S91.4Very high93.4Very high71 Ų7183.3 Ų83.350%0.49745%0.448SS..Hα-helixtrans-76.3-46.1-175.369.90000112D374 L379 Q380D374-S376 VanDerWaalsContact CG-OG 3.31Å; D374-S376 PolarHBondContact O-N 3.46Å; D374-S376 PolarHBondContact OD1-N 3.08Å; D374-S376 PolarHBondContact OD1-OG 3.44Å; D374-S376 PolarHBondContact OD2-OG 3.04Å; S376-L379 PolarHBondContact O-N 3.32Å; S376-Q380 WeakPolarHBondContact O-CG 3.29Å; S376-Q380 PolarHBondContact O-N 3.31Å
377G91.3Very high93.3Very high24 Ų2489.7 Ų89.725%0.24747%0.474CS..Hα-helixtrans-62-40.4172.600000113.4D374 Q380D374-G377 WeakPolarHBondContact OD2-CA 3.26Å; D374-G377 PolarHBondContact OD2-N 3.28Å; G377-Q380 PolarHBondContact O-N 3.03Å
378F94.4Very high93.4Very high65 Ų6591.7 Ų91.729%0.28547%0.474SS..Hα-helixtrans-61.2-48.2176.4176.2-96.1000112.4V369 L370 D374 Q380 I381 S382V369-F378 HydrophobicContact CG1-CD2 4.02Å; V369-F378 HydrophobicContact CG1-CE2 4.05Å; L370-F378 HydrophobicContact CD2-CE2 4.29Å; L370-F378 HydrophobicContact CD2-CZ 4.48Å; D374-F378 WeakPolarHBondContact O-CB 3.41Å; D374-F378 PolarHBondContact O-N 3.41Å; D374-F378 VanDerWaalsContact O-N 3.13Å; F378-Q380 VanDerWaalsContact C-N 3.27Å; F378-Q380 PolarHBondContact O-N 3.5Å; F378-I381 PolarHBondContact O-N 3.48Å; F378-S382 WeakPolarHBondContact O-CB 3.15Å; F378-S382 PolarHBondContact O-N 3.43Å; F378-S382 PolarHBondContact O-OG 2.97Å
379L93.6Very high93.3Very high121 Ų12189 Ų8963%0.63447%0.465SS*.Hα-helixtrans-65.7-27.5-178.2-73.5173.8000112.9P375 S376 I381P375-L379 WeakPolarHBondContact O-CB 3.37Å; P375-L379 VanDerWaalsContact O-CG 3.32Å; P375-L379 WeakPolarHBondContact O-CG 3.14Å; P375-L379 PolarHBondContact O-N 3.22Å; S376-L379 PolarHBondContact O-N 3.32Å; L379-I381 VanDerWaalsContact C-N 3.25Å; L379-I381 PolarHBondContact O-N 2.97Å
380Q92.9Very high93.2Very high163 Ų16391.2 Ų91.276%0.76248%0.479SS*.Hα-helixtrans-62.3-28.8176.9-76.6179.314.700113.8S376 G377 F378S376-Q380 WeakPolarHBondContact O-CG 3.29Å; S376-Q380 PolarHBondContact O-N 3.31Å; G377-Q380 PolarHBondContact O-N 3.03Å; F378-Q380 VanDerWaalsContact C-N 3.27Å; F378-Q380 PolarHBondContact O-N 3.5Å
381I92.7Very high92.9Very high71 Ų7188.6 Ų88.636%0.36447%0.47SS..Hα-helixtrans-113.6-23.2-174.863.7166.6000114.3V369 F378 L379 D383 A384 L385V369-I381 HydrophobicContact CB-CD1 4.47Å; V369-I381 HydrophobicContact CG1-CD1 3.68Å; V369-I381 HydrophobicContact CG1-CG1 4.32Å; V369-I381 HydrophobicContact CG2-CD1 3.88Å; F378-I381 PolarHBondContact O-N 3.48Å; L379-I381 VanDerWaalsContact C-N 3.25Å; L379-I381 PolarHBondContact O-N 2.97Å; I381-D383 PolarHBondContact O-N 3.44Å; I381-A384 PolarHBondContact O-N 3.35Å; I381-L385 PolarHBondContact O-N 3.27Å; I381-L385 VanDerWaalsContact O-N 3.11Å
382S92.1Very high92.6Very high12 Ų1283.3 Ų83.38%0.08445%0.449CS..Hα-helixtrans-59-46.7-170.259.50000114.4F378 A384 L385 I386F378-S382 WeakPolarHBondContact O-CB 3.15Å; F378-S382 PolarHBondContact O-N 3.43Å; F378-S382 PolarHBondContact O-OG 2.97Å; S382-A384 VanDerWaalsContact C-N 3.34Å; S382-A384 PolarHBondContact O-N 2.98Å; S382-L385 WeakPolarHBondContact O-CB 3.17Å; S382-L385 PolarHBondContact O-N 3.47Å; S382-L385 VanDerWaalsContact O-N 3.08Å; S382-I386 VanDerWaalsContact O-CG1 3.3Å; S382-I386 WeakPolarHBondContact O-CG1 3.33Å; S382-I386 PolarHBondContact O-N 3.32Å
383D93.6Very high92.3Very high114 Ų11484 Ų8461%0.6145%0.453SS*.Hα-helixtrans-60.5-40.8-178.7-108.917.3000112.9I381 K387I381-D383 PolarHBondContact O-N 3.44Å; D383-K387 WeakPolarHBondContact O-CG 3.12Å; D383-K387 PolarHBondContact O-N 3.01Å
384A93.5Very high92Very high62 Ų6281.6 Ų81.651%0.51244%0.44SS..Hα-helixtrans-69.4-36.3176.200000111.5I381 S382 R388I381-A384 PolarHBondContact O-N 3.35Å; S382-A384 VanDerWaalsContact C-N 3.34Å; S382-A384 PolarHBondContact O-N 2.98Å; A384-R388 PolarHBondContact O-N 3.43Å; A384-R388 VanDerWaalsContact O-N 3.13Å
385L94.5Very high91.4Very high18 Ų1883.2 Ų83.29%0.09445%0.445CS..Hα-helixtrans-69.4-43.4178.7-152.772.5000111.8Y365 C366 V369 I381 S382 K387 R388 V389Y365-L385 HydrophobicContact CD1-CD1 3.88Å; Y365-L385 HydrophobicContact CD1-CD2 4.45Å; Y365-L385 HydrophobicContact CE1-CD1 3.59Å; Y365-L385 HydrophobicContact CE1-CD2 4.32Å; C366-L385 HydrophobicContact CB-CD2 4.2Å; C366-L385 VanDerWaalsContact SG-CD2 3.51Å; V369-L385 HydrophobicContact CB-CD2 4.39Å; V369-L385 HydrophobicContact CG1-CD2 4.33Å; V369-L385 HydrophobicContact CG2-CD2 4.38Å; I381-L385 PolarHBondContact O-N 3.27Å; I381-L385 VanDerWaalsContact O-N 3.11Å; S382-L385 WeakPolarHBondContact O-CB 3.17Å; S382-L385 PolarHBondContact O-N 3.47Å; S382-L385 VanDerWaalsContact O-N 3.08Å; L385-K387 VanDerWaalsContact C-N 3.34Å; L385-K387 PolarHBondContact O-N 3.34Å; L385-R388 WeakPolarHBondContact O-CB 3.48Å; L385-R388 PolarHBondContact O-N 3.44Å; L385-R388 VanDerWaalsContact O-N 3.13Å; L385-V389 WeakPolarHBondContact O-CG2 3.36Å; L385-V389 PolarHBondContact O-N 2.96Å
386I94.5Very high90.8Very high101 Ų10182.2 Ų82.252%0.51843%0.429SS..Hα-helixtrans-56.1-49.8174.7-69.9165.3000109.7S382 R388 V389 T390S382-I386 VanDerWaalsContact O-CG1 3.3Å; S382-I386 WeakPolarHBondContact O-CG1 3.33Å; S382-I386 PolarHBondContact O-N 3.32Å; I386-R388 VanDerWaalsContact C-N 3.31Å; I386-R388 PolarHBondContact O-N 2.9Å; I386-V389 PolarHBondContact O-N 3.45Å; I386-V389 VanDerWaalsContact O-N 3.15Å; I386-T390 PolarHBondContact O-N 3.46Å; I386-T390 PolarHBondContact O-OG1 3.39Å
387K94.4Very high89.8Confident153 Ų15383.4 Ų83.467%0.66543%0.433SS*.Hα-helixtrans-57.4-41.2176.5-73.9175.4-177.6171.60112.9D383 L385 S391D383-K387 WeakPolarHBondContact O-CG 3.12Å; D383-K387 PolarHBondContact O-N 3.01Å; L385-K387 VanDerWaalsContact C-N 3.34Å; L385-K387 PolarHBondContact O-N 3.34Å; K387-S391 VanDerWaalsContact O-CB 3.28Å; K387-S391 WeakPolarHBondContact O-CB 3.48Å; K387-S391 PolarHBondContact O-N 2.95Å
388R93.8Very high88Confident142 Ų14292.4 Ų92.454%0.53647%0.465SS..Hα-helixtrans-65.3-42176.5-79.4176.557.2-168.4-5.1112.4M362 A384 L385 I386 S391 S392M362-R388 HydrophobicContact SD-CB 4.27Å; A384-R388 PolarHBondContact O-N 3.43Å; A384-R388 VanDerWaalsContact O-N 3.13Å; L385-R388 WeakPolarHBondContact O-CB 3.48Å; L385-R388 PolarHBondContact O-N 3.44Å; L385-R388 VanDerWaalsContact O-N 3.13Å; I386-R388 VanDerWaalsContact C-N 3.31Å; I386-R388 PolarHBondContact O-N 2.9Å; R388-S391 PolarHBondContact O-N 3.36Å; R388-S392 PolarHBondContact O-N 3.37Å
389V93.5Very high86.4Confident54 Ų5491.2 Ų91.233%0.32747%0.472SS..Hα-helixtrans-65.5-49178.2172.60000110.6M362 C366 L385 I386 S391 S392 Q393M362-V389 HydrophobicContact CE-CG2 4.13Å; M362-V389 HydrophobicContact CG-CG2 4.48Å; M362-V389 HydrophobicContact SD-CG2 4.25Å; C366-V389 VanDerWaalsContact SG-CG2 3.58Å; L385-V389 WeakPolarHBondContact O-CG2 3.36Å; L385-V389 PolarHBondContact O-N 2.96Å; I386-V389 PolarHBondContact O-N 3.45Å; I386-V389 VanDerWaalsContact O-N 3.15Å; V389-S391 VanDerWaalsContact C-N 3.32Å; V389-S391 PolarHBondContact O-N 2.96Å; V389-S392 PolarHBondContact O-N 3.22Å; V389-Q393 WeakPolarHBondContact O-CB 3.41Å; V389-Q393 PolarHBondContact O-N 3.44Å
390T90.8Very high85.1Confident62 Ų6287.8 Ų87.838%0.3846%0.461SS..Hα-helixtrans-58.7-44.9176.4-49.20000111I386 S392 Q393 D394I386-T390 PolarHBondContact O-N 3.46Å; I386-T390 PolarHBondContact O-OG1 3.39Å; T390-S392 PolarHBondContact O-N 2.93Å; T390-Q393 WeakPolarHBondContact O-CB 3.07Å; T390-Q393 PolarHBondContact O-N 3.43Å; T390-D394 WeakPolarHBondContact O-CB 3.26Å; T390-D394 VanDerWaalsContact O-CG 3.25Å; T390-D394 PolarHBondContact O-N 3.42Å
391S89.4Confident84.3Confident63 Ų6385.9 Ų85.944%0.44146%0.455SS..Hα-helixtrans-62.8-38.2177.1-178.10000113.2K387 R388 V389 Q395K387-S391 VanDerWaalsContact O-CB 3.28Å; K387-S391 WeakPolarHBondContact O-CB 3.48Å; K387-S391 PolarHBondContact O-N 2.95Å; R388-S391 PolarHBondContact O-N 3.36Å; V389-S391 VanDerWaalsContact C-N 3.32Å; V389-S391 PolarHBondContact O-N 2.96Å; S391-Q395 WeakPolarHBondContact O-CG 3.25Å; S391-Q395 PolarHBondContact O-N 3.16Å
392S87.4Confident83.8Confident17 Ų1788.7 Ų88.712%0.11947%0.467CS..Hα-helixtrans-69.6-38175-169.30000111.9T359 R388 V389 T390 Q395T359-S392 PolarHBondContact OG1-OG 3.37Å; R388-S392 PolarHBondContact O-N 3.37Å; V389-S392 PolarHBondContact O-N 3.22Å; T390-S392 PolarHBondContact O-N 2.93Å; S392-Q395 WeakPolarHBondContact O-CB 3.37Å; S392-Q395 PolarHBondContact O-N 3.25Å
393Q85.9Confident83.4Confident132 Ų13293.2 Ų93.262%0.61750%0.496SS*.Hα-helixtrans-62.3-44.7175.4-177.4179.24.100111.3V389 T390 Q395 W396V389-Q393 WeakPolarHBondContact O-CB 3.41Å; V389-Q393 PolarHBondContact O-N 3.44Å; T390-Q393 WeakPolarHBondContact O-CB 3.07Å; T390-Q393 PolarHBondContact O-N 3.43Å; Q393-Q395 PolarHBondContact O-N 3.21Å; Q393-Q395 VanDerWaalsContact O-N 3.13Å; Q393-W396 PolarHBondContact O-N 3.15Å
394D85.3Confident83Confident104 Ų10495.5 Ų95.556%0.55650%0.501SS*.G310 helixtrans-64.8-13.6176.4-68.9-23.2000113.1T390 V397T390-D394 WeakPolarHBondContact O-CB 3.26Å; T390-D394 VanDerWaalsContact O-CG 3.25Å; T390-D394 PolarHBondContact O-N 3.42Å; D394-V397 WeakPolarHBondContact O-CG2 3.44Å
395Q81.9Confident82.9Confident105 Ų10594.1 Ų94.149%0.49149%0.485SS..G310 helixtrans-84.1-10.5172.9-70.5173.56.600112.9K355 S391 S392 Q393K355-Q395 PolarHBondContact NZ-O 3.47Å; S391-Q395 WeakPolarHBondContact O-CG 3.25Å; S391-Q395 PolarHBondContact O-N 3.16Å; S392-Q395 WeakPolarHBondContact O-CB 3.37Å; S392-Q395 PolarHBondContact O-N 3.25Å; Q393-Q395 PolarHBondContact O-N 3.21Å; Q393-Q395 VanDerWaalsContact O-N 3.13Å
396W80.3Confident82.6Confident73 Ų7395.2 Ų95.228%0.27750%0.501SS..G310 helixtrans-9613.1-178.9-72103.7000114K355 L356 T359 Q393 L401K355-W396 HydrophobicContact CB-CH2 4.37Å; K355-W396 HydrophobicContact CB-CZ2 4.2Å; K355-W396 HydrophobicContact CD-CH2 4.28Å; K355-W396 HydrophobicContact CD-CZ2 4.02Å; K355-W396 HydrophobicContact CG-CH2 4.28Å; K355-W396 HydrophobicContact CG-CZ2 3.76Å; L356-W396 HydrophobicContact CB-CH2 4.47Å; L356-W396 HydrophobicContact CD1-CH2 4.49Å; T359-W396 PolarHBondContact OG1-NE1 3.49Å; Q393-W396 PolarHBondContact O-N 3.15Å; W396-L401 HydrophobicContact CE3-CD2 4.46Å; W396-L401 HydrophobicContact CZ3-CD2 4Å
397V70.6Confident82.3Confident96 Ų9695.7 Ų95.758%0.58251%0.511SS*.  trans-60.6159.7-174.4-146.70000113.4D394 G399 A400D394-V397 WeakPolarHBondContact O-CG2 3.44Å; V397-G399 PolarHBondContact O-N 2.88Å; V397-A400 VanDerWaalsContact O-CB 3.28Å; V397-A400 WeakPolarHBondContact O-CB 3.25Å; V397-A400 PolarHBondContact O-N 3.06Å; V397-A400 VanDerWaalsContact O-N 3.12Å
398K52.7Low82Confident212 Ų21294.5 Ų94.592%0.92251%0.512SS*.THydrogen-bonded Turntrans-38.3126.9176.5-114.1-178.7175.5-177.80112.8
399G61.1Low81.7Confident41 Ų4192.1 Ų92.142%0.42351%0.505SS..THydrogen-bonded Turntrans99.1-20.4-177.500000114.7V397 L401 E402V397-G399 PolarHBondContact O-N 2.88Å; G399-L401 PolarHBondContact O-N 3.16Å; G399-E402 PolarHBondContact O-N 2.89Å
400A66.8Low81.1Confident48 Ų4897.5 Ų97.540%0.39753%0.532SS..THydrogen-bonded Turntrans-67.6-20.8179.300000114.2V397V397-A400 VanDerWaalsContact O-CB 3.28Å; V397-A400 WeakPolarHBondContact O-CB 3.25Å; V397-A400 PolarHBondContact O-N 3.06Å; V397-A400 VanDerWaalsContact O-N 3.12Å
401L75.3Confident80.7Confident123 Ų12398.8 Ų98.864%0.64454%0.537SS*.THydrogen-bonded Turntrans-106.613.1-178.3-71.9171.8000113.2W396 G399W396-L401 HydrophobicContact CE3-CD2 4.46Å; W396-L401 HydrophobicContact CZ3-CD2 4Å; G399-L401 PolarHBondContact O-N 3.16Å
402E81.6Confident80.2Confident130 Ų130101.9 Ų101.961%0.60756%0.558SS**SBendtrans-87.1138.9178.3-68.6-179.8-179.200111.4Q348 G399 K404Q348-E402 PolarHBondContact NE2-O 3.46Å; Q348-E402 VanDerWaalsContact NE2-O 3.13Å; G399-E402 PolarHBondContact O-N 2.89Å; E402-K404 PolarHBondContact O-N 2.99Å
403P84.4Confident80.1Confident107 Ų107106.9 Ų106.970%0.69558%0.583SS**  trans-60.2127.9173.9-20.331.4000110.7V405P403-V405 VanDerWaalsContact C-N 3.28Å; P403-V405 PolarHBondContact O-N 3.36Å
404K85.9Confident79.9Confident163 Ų163106.3 Ų106.371%0.70958%0.584SS**SBendtrans-74.7-19.7178.5-80.8172.2-172.9-175.60113.6V344 Q348 E402V344-K404 HydrophobicContact CG1-CB 3.81Å; V344-K404 HydrophobicContact CG1-CD 4.41Å; Q348-K404 HydrophobicContact CG-CD 3.92Å; Q348-K404 HydrophobicContact CG-CG 4.47Å; Q348-K404 VanDerWaalsContact NE2-CG 3.3Å; E402-K404 PolarHBondContact O-N 2.99Å
405V91.6Very high79.9Confident32 Ų32104.7 Ų104.719%0.19458%0.578CS.*SBendtrans-141.6143.2-179.9-67.80000109.7Y340 K341 V344 V345 P403Y340-V405 HydrophobicContact CE1-CG1 4.4Å; K341-V405 HydrophobicContact CB-CG2 4.31Å; K341-V405 HydrophobicContact CG-CB 4.34Å; K341-V405 HydrophobicContact CG-CG2 4.42Å; V344-V405 HydrophobicContact CB-CG1 4.38Å; V344-V405 HydrophobicContact CB-CG2 4.2Å; V344-V405 HydrophobicContact CG1-CG1 4.05Å; V344-V405 HydrophobicContact CG1-CG2 4.05Å; V345-V405 HydrophobicContact CG2-CG2 3.59Å; P403-V405 VanDerWaalsContact C-N 3.28Å; P403-V405 PolarHBondContact O-N 3.36Å
406G87.4Confident79.6Confident41 Ų41104.8 Ų104.842%0.42358%0.582SS.*  trans-85.7162.2172.400000113K341 D408K341-G406 PolarHBondContact NZ-O 3.47Å; G406-D408 VanDerWaalsContact C-N 3.34Å
407P87.4Confident79.2Confident111 Ų111105.3 Ų105.372%0.72160%0.597SS**SBendtrans-72.5-24.6-179.430.4-35000113.7
408D89.9Confident79.6Confident128 Ų128105 Ų10568%0.68459%0.592SS**SBendtrans-76.5147.8-173.8-57.2-48.9000112.5K341 G406K341-D408 PolarHBondContact NZ-O 3.42Å; G406-D408 VanDerWaalsContact C-N 3.34Å
409F87.1Confident80.6Confident92 Ų9299.9 Ų99.940%0.40457%0.572SS.*  trans-93.4117.7176.7-73.8-103.2000110.1V334 E337 K338 L411V334-F409 HydrophobicContact CG1-CD1 4.4Å; V334-F409 HydrophobicContact CG1-CE1 4.13Å; E337-F409 HydrophobicContact CB-CD1 4.22Å; E337-F409 HydrophobicContact CB-CE1 4.14Å; E337-F409 HydrophobicContact CG-CD1 3.89Å; E337-F409 HydrophobicContact CG-CE1 4.09Å; K338-F409 HydrophobicContact CB-CE1 3.95Å; K338-F409 HydrophobicContact CB-CZ 3.79Å; K338-F409 HydrophobicContact CG-CZ 4.25Å; F409-L411 HydrophobicContact CD1-CD1 4.22Å; F409-L411 PolarHBondContact O-N 3.48Å
410D79.4Confident81.2Confident168 Ų168103.8 Ų103.890%0.89858%0.579SS**  trans-8356.2174.1-108.2-13000110.9
411L84.1Confident81.5Confident89 Ų89105 Ų10547%0.46658%0.582SS.*  trans-126112.2179.7-64.2174.5000109V334 E337 F409V334-L411 HydrophobicContact CG2-CD1 3.96Å; E337-L411 HydrophobicContact CB-CD1 4.36Å; F409-L411 HydrophobicContact CD1-CD1 4.22Å; F409-L411 PolarHBondContact O-N 3.48Å
412S79.2Confident81.8Confident128 Ų128102.5 Ų102.590%0.89557%0.568SS**  trans-105138.7173.662.20000110.9
413L85.3Confident81.5Confident122 Ų122103 Ų10364%0.63957%0.574SS**  trans-125.2120.9173.1-179.369.3000108.1L330 T415L330-L413 HydrophobicContact CD1-CD1 3.86Å; L330-L413 HydrophobicContact CD1-CD2 3.97Å; L330-L413 HydrophobicContact CD2-CD1 4.46Å; L413-T415 HydrophobicContact CD2-CG2 4.04Å; L413-T415 HydrophobicContact CG-CG2 4.09Å
414N81.4Confident81Confident120 Ų120102 Ų10264%0.64256%0.56SS**  trans-100.7124171.6-174.6-35.9000108.9D416N414-D416 PolarHBondContact OD1-N 3.08Å
415T85.4Confident80.5Confident70 Ų7099.4 Ų99.443%0.42955%0.554SS.*  trans-110.3-3.7-179.151.70000113.7L413 S417 L418 M419L413-T415 HydrophobicContact CD2-CG2 4.04Å; L413-T415 HydrophobicContact CG-CG2 4.09Å; T415-S417 PolarHBondContact O-N 3.23Å; T415-L418 PolarHBondContact O-N 3.29Å; T415-M419 PolarHBondContact O-N 2.9Å
416D73.8Confident79.8Confident106 Ų106103.5 Ų103.557%0.56758%0.575SS**Hα-helixtrans-67.5-43-165.2-60.7-27.5000111.8N414 L418 M419 Q420N414-D416 PolarHBondContact OD1-N 3.08Å; D416-L418 VanDerWaalsContact C-N 3.34Å; D416-L418 PolarHBondContact O-N 2.93Å; D416-M419 PolarHBondContact O-N 2.82Å; D416-Q420 WeakPolarHBondContact O-CG 3.49Å; D416-Q420 PolarHBondContact O-N 2.97Å
417S73.2Confident78.9Confident84 Ų84107.4 Ų107.459%0.58758%0.58SS**Hα-helixtrans-61.3-42.1176.71720000112.1T415 Q420 T421T415-S417 PolarHBondContact O-N 3.23Å; S417-Q420 PolarHBondContact O-N 2.97Å; S417-T421 PolarHBondContact O-N 3.39Å; S417-T421 PolarHBondContact O-OG1 3.08Å
418L77.6Confident77.3Confident91 Ų91107.9 Ų107.948%0.47659%0.585SS.*Hα-helixtrans-70.1-37.7179.4-175.661.1000111.8L323 T415 D416 Q420 T421 I422L323-L418 HydrophobicContact CD2-CD2 3.68Å; T415-L418 PolarHBondContact O-N 3.29Å; D416-L418 VanDerWaalsContact C-N 3.34Å; D416-L418 PolarHBondContact O-N 2.93Å; L418-Q420 VanDerWaalsContact C-N 3.32Å; L418-T421 PolarHBondContact O-N 3.1Å; L418-I422 HydrophobicContact CG-CD1 4.34Å; L418-I422 WeakPolarHBondContact O-CG1 3.27Å; L418-I422 PolarHBondContact O-N 3.15Å
419M75.3Confident75Confident104 Ų104109.2 Ų109.251%0.51259%0.587SS.*Hα-helixtrans-62.7-42.2174.5-16961.466.200111.1T415 D416 T421 I422 L423T415-M419 PolarHBondContact O-N 2.9Å; D416-M419 PolarHBondContact O-N 2.82Å; M419-T421 VanDerWaalsContact C-N 3.34Å; M419-T421 PolarHBondContact O-N 3.04Å; M419-I422 PolarHBondContact O-N 2.89Å; M419-L423 HydrophobicContact CG-CD1 4.37Å; M419-L423 WeakPolarHBondContact O-CG 3.18Å; M419-L423 PolarHBondContact O-N 3.41Å
420Q72.1Confident72.5Confident122 Ų122108.8 Ų108.857%0.5761%0.608SS**Hα-helixtrans-61.3-41.3173.6-74.9-176.2-13.800111.9D416 S417 L418 L423 Q424D416-Q420 WeakPolarHBondContact O-CG 3.49Å; D416-Q420 PolarHBondContact O-N 2.97Å; S417-Q420 PolarHBondContact O-N 2.97Å; L418-Q420 VanDerWaalsContact C-N 3.32Å; Q420-L423 PolarHBondContact O-N 3.18Å; Q420-Q424 WeakPolarHBondContact O-CG 3.33Å; Q420-Q424 PolarHBondContact O-N 2.97Å
421T73.3Confident70.3Confident75 Ų75109.3 Ų109.346%0.4660%0.603SS.*Hα-helixtrans-64.3-40.1176-49.70000112.5S417 L418 M419 Q424S417-T421 PolarHBondContact O-N 3.39Å; S417-T421 PolarHBondContact O-OG1 3.08Å; L418-T421 PolarHBondContact O-N 3.1Å; M419-T421 VanDerWaalsContact C-N 3.34Å; M419-T421 PolarHBondContact O-N 3.04Å; T421-Q424 WeakPolarHBondContact O-CB 3.44Å; T421-Q424 PolarHBondContact O-N 3.27Å; T421-Q424 VanDerWaalsContact O-N 3.16Å
422I82.3Confident67.8Low70 Ų70112.3 Ų112.336%0.35962%0.619SS.*Hα-helixtrans-64.8-41.1177-68.8168000111L323 L418 M419 Q424 L425L323-I422 HydrophobicContact CD1-CD1 4.2Å; L418-I422 HydrophobicContact CG-CD1 4.34Å; L418-I422 WeakPolarHBondContact O-CG1 3.27Å; L418-I422 PolarHBondContact O-N 3.15Å; M419-I422 PolarHBondContact O-N 2.89Å; I422-Q424 PolarHBondContact O-N 3.22Å; I422-L425 HydrophobicContact CG2-CD1 4.43Å; I422-L425 WeakPolarHBondContact O-CB 3.2Å; I422-L425 WeakPolarHBondContact O-CG 3.44Å; I422-L425 PolarHBondContact O-N 3.34Å
423L74.5Confident65.3Low140 Ų140113 Ų11373%0.73362%0.618SS**Hα-helixtrans-67.9-15.6176.2-69.1171.9000113.4M419 Q420M419-L423 HydrophobicContact CG-CD1 4.37Å; M419-L423 WeakPolarHBondContact O-CG 3.18Å; M419-L423 PolarHBondContact O-N 3.41Å; Q420-L423 PolarHBondContact O-N 3.18Å
424Q74Confident62.6Low85 Ų85115.1 Ų115.140%0.39762%0.624SS.*THydrogen-bonded Turntrans-90.2-0.8175.6-71.4168.415.700113.2Q420 T421 I422 D426 R480Q420-Q424 WeakPolarHBondContact O-CG 3.33Å; Q420-Q424 PolarHBondContact O-N 2.97Å; T421-Q424 WeakPolarHBondContact O-CB 3.44Å; T421-Q424 PolarHBondContact O-N 3.27Å; T421-Q424 VanDerWaalsContact O-N 3.16Å; I422-Q424 PolarHBondContact O-N 3.22Å; Q424-D426 PolarHBondContact O-N 3.44Å; Q424-R480 PolarHBondContact O-NH2 3.47Å
425L76.3Confident59.9Low109 Ų109118.4 Ų118.457%0.57164%0.636SS**  trans-65115.1174.6-68.7173.1000109.6L319 I422L319-L425 HydrophobicContact CD1-CD1 4.15Å; L319-L425 HydrophobicContact CD1-CD2 4.4Å; I422-L425 HydrophobicContact CG2-CD1 4.43Å; I422-L425 WeakPolarHBondContact O-CB 3.2Å; I422-L425 WeakPolarHBondContact O-CG 3.44Å; I422-L425 PolarHBondContact O-N 3.34Å
426D76.2Confident56.9Low118 Ų118124.3 Ų124.363%0.63166%0.656SS**  trans-150.9160.9-178.3-163.12.6000109.5Q424 C428Q424-D426 PolarHBondContact O-N 3.44Å; D426-C428 PolarHBondContact O-N 2.7Å
427F69.1Low54.7Low123 Ų123125.4 Ų125.454%0.53967%0.668SS.*  trans-75.9120.5175.4-62.6-73.4000110.3F308 L312 Q429F308-F427 HydrophobicContact CE1-CD1 4.2Å; F308-F427 AromaticContact CE1-CE1 3.65Å; F308-F427 HydrophobicContact CE1-CE1 3.65Å; F308-F427 HydrophobicContact CE1-CZ 4.3Å; F308-F427 AromaticContact CZ-CD1 3.93Å; F308-F427 HydrophobicContact CZ-CD1 3.93Å; F308-F427 AromaticContact CZ-CE1 3.76Å; F308-F427 HydrophobicContact CZ-CE1 3.76Å; L312-F427 HydrophobicContact CD1-CE1 3.91Å; L312-F427 HydrophobicContact CD1-CZ 4.23Å; L312-F427 HydrophobicContact CD2-CE1 3.92Å; L312-F427 HydrophobicContact CD2-CZ 3.56Å; L312-F427 HydrophobicContact CG-CE1 4.46Å; F427-Q429 PolarHBondContact O-N 3.46Å; F427-Q429 VanDerWaalsContact O-N 3.11Å
428C54.3Low52.4Low121 Ų121129.7 Ų129.782%0.81868%0.684SS**  trans-71.9104169.1-64.40000109.2D426 G430D426-C428 PolarHBondContact O-N 2.7Å; C428-G430 PolarHBondContact O-N 3.27Å
429Q41.3Very low49.9Very low156 Ų156133.4 Ų133.473%0.72970%0.703SS**  trans-64.3116.8172.5-77.7-178.3-6.400110.2F427 K431F427-Q429 PolarHBondContact O-N 3.46Å; F427-Q429 VanDerWaalsContact O-N 3.11Å; Q429-K431 HydrophobicContact CB-CG 4.31Å; Q429-K431 PolarHBondContact O-N 2.88Å
430G34.2Very low47.5Very low83 Ų83137.1 Ų137.186%0.85672%0.717SS**  trans-64.6101.6156.100000108.2C428C428-G430 PolarHBondContact O-N 3.27Å
431K34.1Very low45.3Very low180 Ų180137.1 Ų137.178%0.78372%0.72SS**  trans-84115.8180-76.8-171.4176.7179.50110.8Q429Q429-K431 HydrophobicContact CB-CG 4.31Å; Q429-K431 PolarHBondContact O-N 2.88Å
432D31.3Very low42.9Very low152 Ų152141.3 Ų141.381%0.81374%0.736SS**  trans-137.4103.1149.5-120.8-26.9000106.8
433V27.2Very low40.1Very low142 Ų142146.1 Ų146.186%0.86176%0.757SS**  trans-168.6124.5139.2172.40000106.3
434Q28.5Very low37.7Very low166 Ų166144.2 Ų144.278%0.77676%0.761SS**  trans-67.9132.9-178.3-62.8178-7.100112.5
435E23.8Very low35.4Very low190 Ų190145 Ų14589%0.88878%0.782SS**  trans-130.8125.8150.1-78.6-168.3158.100110.1
436K23Very low32.9Very low194 Ų194144.1 Ų144.184%0.84379%0.791SS**  trans-84.4131.3176.4-75.4172.1174.6172.40109.6
437P26.9Very low30.4Very low128 Ų128145.5 Ų145.583%0.83180%0.798SS**  trans-91.7129.416532.1-25.7000110
438L25Very low28.4Very low175 Ų175144.7 Ų144.792%0.91681%0.808SS**  trans-118101.5168.1-151.9150.2000107.5
439L25.8Very low27Very low169 Ų169142.8 Ų142.889%0.88581%0.809SS**  trans-137.6118.3174.1-131.8153.4000109.7
440K24.3Very low26.3Very low182 Ų182144.7 Ų144.779%0.79182%0.818SS**  trans-159.8139.2159.6-99.3-172.5173.3177.60103.1
441L25.3Very low25.9Very low122 Ų122145 Ų14564%0.63981%0.812SS**  cis-179.4141.532.7-116.3159.4000102.4
442M23.4Very low25.5Very low162 Ų162145.4 Ų145.480%0.79882%0.817SS**  164.8134.478.9-64.2-173.361.400103.3
443Q24.7Very low25.2Very low172 Ų172146.9 Ų146.980%0.80482%0.821SS**  91.4130.952.2-155.815417.600115.1
444A24Very low25.5Very low99 Ų99148.7 Ų148.782%0.81882%0.82SS**  trans88.5115.8161.500000118.9
445A25.1Very low25.3Very low102 Ų102145.8 Ų145.884%0.84382%0.824SS**  -175.9137.191.400000111.2
446A24Very low25.5Very low91 Ų91145.6 Ų145.675%0.75282%0.823SS**  trans-75.4155164.500000110.1
447D23.6Very low26Very low146 Ų146141.7 Ų141.778%0.78182%0.821SS**  176.814598.8-137.3-12.6000113.6
448S25.7Very low27.1Very low106 Ų106141.3 Ų141.374%0.74182%0.818SS**  trans42.6135.8146.967.60000124.3
449G26.8Very low28Very low81 Ų81136.6 Ų136.684%0.83581%0.812SS**  trans146.9109.5139.500000116.3
450E24.8Very low28.4Very low197 Ų197134.7 Ų134.792%0.92181%0.807SS**  trans-86165.8-175.1-60.4172.8150.400115
451A26.3Very low29.5Very low89 Ų89134 Ų13474%0.73681%0.812SS**  trans99.8105143.900000122.1
452E26Very low30.6Very low188 Ų188135.2 Ų135.288%0.87982%0.818SS**  65.4128.7121.7-62.7-174.4173.700124.8
453M25.9Very low32.1Very low183 Ų183130.2 Ų130.290%0.90181%0.808SS**  123134.6128.1-151.3172.3179.400117.9
454E31.9Very low33.7Very low180 Ų180127.5 Ų127.584%0.84181%0.806SS**  trans-69.3154.3-168.6-52.3-179.1142.100116.2
455A25.6Very low36.1Very low105 Ų105124.3 Ų124.387%0.86878%0.78SS**  trans-175.9142.2135.800000112.4
456E28.2Very low38.9Very low186 Ų186122.6 Ų122.687%0.86976%0.758SS**  trans-83.6137.6-176-68.6179.911900115.7
457S32.8Very low41.9Very low112 Ų112118.4 Ų118.478%0.78372%0.724SS**  trans69.3164.2142.679.20000121.3
458P49.6Very low44.9Very low120 Ų120114.8 Ų114.878%0.77971%0.706SS**  cis-130.3153.1-37.230.1-11.9000113.9
459G43.3Very low47.8Very low77 Ų77111.2 Ų111.279%0.79468%0.683SS**  trans75.786.114800000118.9
460V34.8Very low50.8Low128 Ų128107.3 Ų107.378%0.77664%0.644SS**  trans-143.3137.6157.7-173.20000109.6L462V460-L462 WeakPolarHBondContact O-CG 3.31Å; V460-L462 PolarHBondContact O-N 2.91Å
461D48.4Very low53.8Low168 Ų168101.9 Ų101.990%0.89862%0.62SS**  trans-32.5113.9170.3-15817.6000113.4
462L47.1Very low56.6Low147 Ų14799 Ų9977%0.7759%0.592SS**  trans-99.2125-171.1-72.8170.7000111.3V460V460-L462 WeakPolarHBondContact O-CG 3.31Å; V460-L462 PolarHBondContact O-N 2.91Å
463G54.7Low59.4Low57 Ų5791 Ų9159%0.58856%0.555SS**  trans-59.7-172161.300000112.7A465G463-A465 PolarHBondContact O-N 2.87Å
464P59.1Low61.7Low116 Ų11687.4 Ų87.475%0.75354%0.539SS*.SBendtrans-60112.9-173.926.6-33.9000110V545P464-V545 HydrophobicContact CB-CG2 3.76Å; P464-V545 WeakPolarHBondContact O-CG1 3.49Å
465A75.3Confident63.6Low32 Ų3285.4 Ų85.426%0.26453%0.53SS..PPolyproline II helixtrans-102.3155.8-175.100000111.4G463 N543G463-A465 PolarHBondContact O-N 2.87Å; A465-N543 PolarHBondContact O-ND2 3.44Å
466V82.5Confident65.9Low65 Ų6586 Ų8639%0.39451%0.512SS..PPolyproline II helixtrans-65.8152.4170-64.50000110.6V545V466-V545 HydrophobicContact CG1-CB 4.29Å; V466-V545 HydrophobicContact CG1-CG1 3.97Å
467P87.3Confident68.3Low4 Ų478.2 Ų78.23%0.02648%0.478CS..PPolyproline II helixtrans-62.1151.3-177.5-25.137.7000113I498 A541 N543 G548 P549P467-I498 HydrophobicContact CB-CD1 4.23Å; P467-I498 HydrophobicContact CB-CG1 4.07Å; P467-I498 HydrophobicContact CG-CG1 4.26Å; P467-A541 HydrophobicContact CB-CB 3.67Å; P467-A541 HydrophobicContact CG-CB 4.29Å; P467-N543 HydrophobicContact CG-CB 3.86Å; P467-G548 WeakPolarHBondContact O-CA 3.33Å; P467-P549 WeakPolarHBondContact O-CD 3.13Å
468V86.2Confident70.5Confident69 Ų6976.2 Ų76.242%0.41846%0.463SS..PPolyproline II helixtrans-73.1158.2172.2-58.70000111.8V490 A492V468-V490 HydrophobicContact CG2-CG1 3.55Å; V468-A492 HydrophobicContact CG2-CB 3.85Å
469A87.6Confident71.9Confident31 Ų3172.6 Ų72.626%0.25644%0.44SS..PPolyproline II helixtrans-56.9128.3177.100000111.4P549 Y550A469-P549 WeakPolarHBondContact CA-O 3.17Å; A469-P549 HydrophobicContact CB-CB 4.44Å; A469-P549 HydrophobicContact CB-CG 4.01Å; A469-Y550 WeakPolarHBondContact CB-O 3.4Å
470P90.1Very high73.5Confident0 Ų074.9 Ų74.90%042%0.424CS..PPolyproline II helixtrans-64.7153.1171.2-17.129.8000111.6W488 V490 Y501 V539 A541 S551P470-W488 HydrophobicContact CB-CB 4.22Å; P470-W488 HydrophobicContact CB-CG 4.36Å; P470-V490 HydrophobicContact CB-CG2 4.2Å; P470-V490 HydrophobicContact CG-CG2 4.39Å; P470-Y501 HydrophobicContact CG-CD1 3.92Å; P470-Y501 HydrophobicContact CG-CE1 4.05Å; P470-V539 HydrophobicContact CB-CG1 3.92Å; P470-V539 HydrophobicContact CG-CG1 4.28Å; P470-V539 HydrophobicContact CG-CG2 4.35Å; P470-A541 HydrophobicContact CG-CB 3.91Å; P470-S551 WeakPolarHBondContact O-CB 3.4Å
471L86.9Confident75.9Confident82 Ų8270.3 Ų70.343%0.42940%0.395SS..EExtended strand (participates in β ladder)trans-105.1117.4175-63.6175.8000109.3Q473 W488 R489 T491L471-Q473 PolarHBondContact O-N 2.98Å; L471-W488 CarbonylContact O-C 3.57Å; L471-W488 WeakPolarHBondContact O-CA 3.35Å; L471-W488 WeakPolarHBondContact O-CB 3.49Å; L471-R489 HydrophobicContact CB-CG 4.33Å; L471-R489 PolarHBondContact N-O 3.4Å; L471-R489 PolarHBondContact O-N 3.17Å; L471-T491 HydrophobicContact CD1-CG2 3.75Å
472L86.3Confident77.8Confident28 Ų2863.9 Ų63.915%0.14736%0.361CS..EExtended strand (participates in β ladder)trans-65.5128.7171.8-75.3164.1000110.2L474 L486 A487 W488 V539 K552 V554L472-L474 HydrophobicContact CB-CD2 4.48Å; L472-L474 PolarHBondContact O-N 3.03Å; L472-L486 HydrophobicContact CD2-CB 4.47Å; L472-L486 HydrophobicContact CD2-CD2 3.94Å; L472-A487 WeakPolarHBondContact CA-O 3.38Å; L472-W488 HydrophobicContact CD2-CB 4.25Å; L472-W488 HydrophobicContact CD2-CE3 4.35Å; L472-V539 HydrophobicContact CD2-CG1 4Å; L472-V539 HydrophobicContact CG-CG1 4.05Å; L472-K552 WeakPolarHBondContact CD1-O 3.44Å; L472-V554 HydrophobicContact CD1-CB 4.04Å; L472-V554 HydrophobicContact CD1-CG1 3.66Å
473Q83.3Confident79.7Confident21 Ų2157.8 Ų57.810%0.09833%0.33CS..  trans-8884.3176.4-61.8-153.9-93.600108.6L471 E475 K476 C477 A487 R489L471-Q473 PolarHBondContact O-N 2.98Å; Q473-E475 WeakPolarHBondContact CB-OE1 3.49Å; Q473-E475 PolarHBondContact NE2-OE1 2.91Å; Q473-E475 PolarHBondContact O-N 2.88Å; Q473-E475 VanDerWaalsContact O-N 3.15Å; Q473-K476 HydrophobicContact CB-CB 4.15Å; Q473-K476 HydrophobicContact CB-CD 4.24Å; Q473-K476 HydrophobicContact CB-CG 4.26Å; Q473-K476 PolarHBondContact O-N 2.83Å; Q473-C477 PolarHBondContact O-N 3.1Å; Q473-C477 VanDerWaalsContact O-N 3.13Å; Q473-C477 PolarHBondContact O-SG 3.49Å; Q473-A487 HydrophobicContact CB-CB 4.33Å; Q473-A487 PolarHBondContact N-O 2.82Å; Q473-R489 HydrophobicContact CG-CB 4.48Å; Q473-R489 HydrophobicContact CG-CG 4.13Å
474L74.9Confident81.2Confident107 Ų10755 Ų5556%0.5630%0.302SS*.G310 helixtrans-55.7-33.7-175-60.7-179.1000112.3L472 K476 C477 V554L472-L474 HydrophobicContact CB-CD2 4.48Å; L472-L474 PolarHBondContact O-N 3.03Å; L474-K476 PolarHBondContact O-N 3.31Å; L474-C477 PolarHBondContact O-N 3.45Å; L474-V554 HydrophobicContact CD2-CB 4.08Å; L474-V554 HydrophobicContact CD2-CG2 3.46Å; L474-V554 VanDerWaalsContact CD2-CG2 3.46Å
475E71.9Confident82.6Confident139 Ų13951.1 Ų51.165%0.6528%0.276SS*.G310 helixtrans-65.2-17.8176.469-75.6177.400114.3Q473Q473-E475 WeakPolarHBondContact CB-OE1 3.49Å; Q473-E475 PolarHBondContact NE2-OE1 2.91Å; Q473-E475 PolarHBondContact O-N 2.88Å; Q473-E475 VanDerWaalsContact O-N 3.15Å
476K74Confident83.3Confident116 Ų11649.6 Ų49.650%0.50426%0.264SS..G310 helixtrans-109.8-7.3176.7-63.3-174.3-174.2173.80113.1Q473 L474 A487Q473-K476 HydrophobicContact CB-CB 4.15Å; Q473-K476 HydrophobicContact CB-CD 4.24Å; Q473-K476 HydrophobicContact CB-CG 4.26Å; Q473-K476 PolarHBondContact O-N 2.83Å; L474-K476 PolarHBondContact O-N 3.31Å; K476-A487 HydrophobicContact CB-CB 3.72Å; K476-A487 HydrophobicContact CD-CB 4.27Å
477C77.4Confident83.7Confident23 Ų2346.6 Ų46.616%0.15525%0.246CC..  trans-82.6134.5175.7-61.40000109Q473 L474 T485 A487Q473-C477 PolarHBondContact O-N 3.1Å; Q473-C477 VanDerWaalsContact O-N 3.13Å; Q473-C477 PolarHBondContact O-SG 3.49Å; L474-C477 PolarHBondContact O-N 3.45Å; C477-T485 CarbonylContact C-O 3.6Å; C477-T485 WeakPolarHBondContact CA-O 3.43Å; C477-A487 PolarHBondContact SG-N 3.32Å
478C79.4Confident84Confident70 Ų7046.4 Ų46.447%0.47325%0.245SC..EExtended strand (participates in β ladder)trans-146.8152.117867.10000111.4A484 T485C478-A484 CarbonylContact O-C 3.53Å; C478-A484 WeakPolarHBondContact O-CA 3.42Å; C478-T485 PolarHBondContact N-O 3Å; C478-T485 PolarHBondContact O-N 3.38Å
479T79.4Confident84.1Confident45 Ų4549.5 Ų49.528%0.27625%0.249SC..EExtended strand (participates in β ladder)trans-112.6129.7172.848.40000108.5S483 A484 L556 K557T479-S483 CarbonylContact C-O 3.55Å; T479-S483 WeakPolarHBondContact CA-O 3.45Å; T479-A484 HydrophobicContact CG2-CB 3.97Å; T479-L556 HydrophobicContact CG2-CB 3.89Å; T479-L556 HydrophobicContact CG2-CD2 4.26Å; T479-K557 WeakPolarHBondContact CB-O 3.35Å; T479-K557 PolarHBondContact OG1-O 3.41Å
480R76.8Confident83.8Confident124 Ų12449.8 Ų49.847%0.46825%0.247SC..EExtended strand (participates in β ladder)trans-129.9114.6178-164.5-179.1-147.1168.17.6108.3Q424 N482 S483Q424-R480 PolarHBondContact O-NH2 3.47Å; R480-N482 PolarHBondContact O-N 3.39Å; R480-N482 VanDerWaalsContact O-N 3.1Å; R480-S483 PolarHBondContact N-O 3.03Å; R480-S483 WeakPolarHBondContact O-CA 3.13Å; R480-S483 WeakPolarHBondContact O-CB 3.49Å; R480-S483 PolarHBondContact O-N 3.14Å
481N86.2Confident82.7Confident32 Ų3254.4 Ų54.417%0.17128%0.275CS..THydrogen-bonded Turntrans57.6-113.5179.3-156.643.1000111.4F531 S559 W563N481-F531 HydrophobicContact CB-CE1 4.49Å; N481-F531 VanDerWaalsContact OD1-CE1 3.26Å; N481-F531 WeakPolarHBondContact OD1-CE1 3.45Å; N481-S559 WeakPolarHBondContact CA-OG 3.18Å; N481-S559 PolarHBondContact N-OG 3.16Å; N481-S559 PolarHBondContact O-N 3.11Å; N481-S559 VanDerWaalsContact O-N 3.13Å; N481-W563 PolarHBondContact ND2-O 2.87Å; N481-W563 WeakPolarHBondContact OD1-CB 3.43Å; N481-W563 PolarHBondContact OD1-N 3.25Å; N481-W563 PolarHBondContact OD1-O 2.9Å
482N86.8Confident81.5Confident34 Ų3452.1 Ų52.118%0.18227%0.269CS..THydrogen-bonded Turntrans-102.423.1174.863.7-34.7000113.8R480 G528 L529 F531R480-N482 PolarHBondContact O-N 3.39Å; R480-N482 VanDerWaalsContact O-N 3.1Å; N482-G528 PolarHBondContact O-N 2.91Å; N482-G528 VanDerWaalsContact O-N 3.14Å; N482-L529 WeakPolarHBondContact CB-O 3.35Å; N482-L529 WeakPolarHBondContact O-CA 3.41Å; N482-L529 VanDerWaalsContact O-CB 3.29Å; N482-L529 WeakPolarHBondContact O-CB 3.38Å; N482-L529 PolarHBondContact O-N 3.16Å; N482-F531 HydrophobicContact CB-CD1 4.27Å; N482-F531 HydrophobicContact CB-CE1 3.69Å; N482-F531 HydrophobicContact CB-CE2 4.09Å; N482-F531 HydrophobicContact CB-CZ 3.6Å
483S87Confident80Confident18 Ų1855.6 Ų55.613%0.12629%0.293CS..EExtended strand (participates in β ladder)trans-129.1150.8-178.4-51.60000111.4T479 R480 V526 D527T479-S483 CarbonylContact C-O 3.55Å; T479-S483 WeakPolarHBondContact CA-O 3.45Å; R480-S483 PolarHBondContact N-O 3.03Å; R480-S483 WeakPolarHBondContact O-CA 3.13Å; R480-S483 WeakPolarHBondContact O-CB 3.49Å; R480-S483 PolarHBondContact O-N 3.14Å; S483-V526 CarbonylContact C-O 3.21Å; S483-V526 WeakPolarHBondContact CA-O 3.48Å; S483-D527 WeakPolarHBondContact CB-OD1 3.23Å; S483-D527 PolarHBondContact OG-OD1 2.85Å
484A86Confident78.7Confident0 Ų060 Ų600%033%0.332CS..EExtended strand (participates in β ladder)trans-133.7126.2175.400000111.6C478 T479 T525 V526 L529 L556C478-A484 CarbonylContact O-C 3.53Å; C478-A484 WeakPolarHBondContact O-CA 3.42Å; T479-A484 HydrophobicContact CG2-CB 3.97Å; A484-T525 CarbonylContact O-C 3.46Å; A484-T525 WeakPolarHBondContact O-CA 3.36Å; A484-V526 PolarHBondContact N-O 3.08Å; A484-V526 PolarHBondContact O-N 3.39Å; A484-L529 HydrophobicContact CB-CD1 3.64Å; A484-L556 HydrophobicContact CB-CD1 3.88Å
485T89.2Confident78Confident33 Ų3359.5 Ų59.520%0.20234%0.338CS..EExtended strand (participates in β ladder)trans-98.3124.9172.2-57.90000109.3C477 C478 V523 C524 T525C477-T485 CarbonylContact C-O 3.6Å; C477-T485 WeakPolarHBondContact CA-O 3.43Å; C478-T485 PolarHBondContact N-O 3Å; C478-T485 PolarHBondContact O-N 3.38Å; T485-V523 HydrophobicContact CG2-CG1 3.87Å; T485-C524 CarbonylContact C-O 3.56Å; T485-C524 WeakPolarHBondContact CA-O 3.44Å; T485-T525 WeakPolarHBondContact OG1-CG2 3.45Å; T485-T525 PolarHBondContact OG1-OG1 2.92Å
486L90.4Very high77.7Confident0 Ų054.5 Ų54.50%032%0.318CS..EExtended strand (participates in β ladder)trans-114.7141.5174.1-68107.7000110.3L472 W488 L503 L505 V523 C524 V526 A537 V554 L556L472-L486 HydrophobicContact CD2-CB 4.47Å; L472-L486 HydrophobicContact CD2-CD2 3.94Å; L486-W488 HydrophobicContact CB-CE3 4.36Å; L486-W488 HydrophobicContact CB-CZ3 4.11Å; L486-L503 HydrophobicContact CB-CD2 4.38Å; L486-L503 HydrophobicContact CD1-CD1 4.4Å; L486-L503 HydrophobicContact CD1-CD2 4Å; L486-L503 HydrophobicContact CD2-CD1 4.15Å; L486-L505 HydrophobicContact CD1-CD1 4.26Å; L486-V523 CarbonylContact O-C 3.55Å; L486-V523 VanDerWaalsContact O-CA 3.31Å; L486-V523 WeakPolarHBondContact O-CA 3.5Å; L486-C524 PolarHBondContact N-O 2.96Å; L486-C524 PolarHBondContact O-N 2.99Å; L486-V526 HydrophobicContact CD1-CG2 4.42Å; L486-A537 HydrophobicContact CD2-CB 3.54Å; L486-V554 HydrophobicContact CD2-CG1 3.91Å; L486-L556 HydrophobicContact CD1-CD1 3.81Å; L486-L556 HydrophobicContact CD2-CD1 4.03Å; L486-L556 HydrophobicContact CG-CD1 4.08Å
487A91.1Very high77.8Confident2 Ų253.9 Ų53.92%0.01733%0.326CS..EExtended strand (participates in β ladder)trans-131.1142.6175.500000110L472 Q473 K476 C477 T522 V523L472-A487 WeakPolarHBondContact CA-O 3.38Å; Q473-A487 HydrophobicContact CB-CB 4.33Å; Q473-A487 PolarHBondContact N-O 2.82Å; K476-A487 HydrophobicContact CB-CB 3.72Å; K476-A487 HydrophobicContact CD-CB 4.27Å; C477-A487 PolarHBondContact SG-N 3.32Å; A487-T522 CarbonylContact C-O 3.58Å; A487-T522 WeakPolarHBondContact CA-O 3.48Å; A487-V523 HydrophobicContact CB-CG1 4.5Å; A487-V523 HydrophobicContact CB-CG2 3.9Å
488W93.3Very high78.2Confident1 Ų155.1 Ų55.10%0.00433%0.33CS..EExtended strand (participates in β ladder)trans-139166.8178.953.892.4000111.7P470 L471 L472 L486 Y501 L503 Y517 E521 T522 C524 V539P470-W488 HydrophobicContact CB-CB 4.22Å; P470-W488 HydrophobicContact CB-CG 4.36Å; L471-W488 CarbonylContact O-C 3.57Å; L471-W488 WeakPolarHBondContact O-CA 3.35Å; L471-W488 WeakPolarHBondContact O-CB 3.49Å; L472-W488 HydrophobicContact CD2-CB 4.25Å; L472-W488 HydrophobicContact CD2-CE3 4.35Å; L486-W488 HydrophobicContact CB-CE3 4.36Å; L486-W488 HydrophobicContact CB-CZ3 4.11Å; W488-Y501 AromaticContact CD1-CD1 3.72Å; W488-Y501 AromaticContact CD1-CE1 3.87Å; W488-Y501 AromaticContact CE2-CG 3.99Å; W488-Y501 HydrophobicContact CZ2-CG 4.32Å; W488-Y501 AromaticContact NE1-CD1 3.29Å; W488-Y501 VanDerWaalsContact NE1-CD1 3.29Å; W488-Y501 AromaticContact NE1-CD2 3.46Å; W488-Y501 AromaticContact NE1-CE1 3.77Å; W488-Y501 AromaticContact NE1-CE2 3.95Å; W488-Y501 AromaticContact NE1-CG 3.12Å; W488-L503 HydrophobicContact CH2-CB 4.2Å; W488-L503 HydrophobicContact CH2-CD2 4.19Å; W488-L503 HydrophobicContact CZ3-CB 4.47Å; W488-L503 HydrophobicContact CZ3-CD1 4.32Å; W488-L503 HydrophobicContact CZ3-CD2 4Å; W488-L503 HydrophobicContact CZ3-CG 4.5Å; W488-Y517 AromaticContact CH2-CD1 3.94Å; W488-Y517 HydrophobicContact CH2-CD1 3.94Å; W488-Y517 HydrophobicContact CH2-CE1 4.2Å; W488-Y517 HydrophobicContact CZ2-CD1 4.04Å; W488-Y517 AromaticContact CZ2-CE1 3.95Å; W488-Y517 HydrophobicContact CZ2-CE1 3.95Å; W488-E521 VanDerWaalsContact CZ2-O 3.25Å; W488-E521 WeakPolarHBondContact CZ2-O 3.46Å; W488-T522 PolarHBondContact N-O 3.04Å; W488-T522 WeakPolarHBondContact O-CB 3.37Å; W488-C524 HydrophobicContact CH2-CB 3.71Å; W488-C524 HydrophobicContact CZ3-CB 4.05Å; W488-V539 HydrophobicContact CB-CG1 4.04Å; W488-V539 HydrophobicContact CD2-CB 4.42Å; W488-V539 HydrophobicContact CD2-CG1 4.28Å; W488-V539 HydrophobicContact CD2-CG2 3.85Å; W488-V539 HydrophobicContact CE3-CG2 4.35Å; W488-V539 HydrophobicContact CG-CG1 4.06Å; W488-V539 HydrophobicContact CG-CG2 4.12Å; W488-V539 HydrophobicContact CZ2-CG2 4.19Å
489R88.6Confident78.6Confident134 Ų13456.2 Ų56.251%0.50633%0.329SS..EExtended strand (participates in β ladder)trans-144.1163.1173.166.5177.4-177.4-172.7-1.4110.4L471 Q473L471-R489 HydrophobicContact CB-CG 4.33Å; L471-R489 PolarHBondContact N-O 3.4Å; L471-R489 PolarHBondContact O-N 3.17Å; Q473-R489 HydrophobicContact CG-CB 4.48Å; Q473-R489 HydrophobicContact CG-CG 4.13Å
490V80.8Confident79.1Confident37 Ų3754.1 Ų54.122%0.22432%0.316CS..  trans-118.1136.6174.7-173.20000108.9V468 P470 A492 I498 Y501V468-V490 HydrophobicContact CG2-CG1 3.55Å; P470-V490 HydrophobicContact CB-CG2 4.2Å; P470-V490 HydrophobicContact CG-CG2 4.39Å; V490-A492 HydrophobicContact CG1-CB 3.72Å; V490-I498 HydrophobicContact CB-CD1 3.91Å; V490-I498 HydrophobicContact CG1-CD1 3.63Å; V490-I498 HydrophobicContact CG2-CD1 3.62Å; V490-Y501 HydrophobicContact CG2-CE1 3.59Å; V490-Y501 WeakPolarHBondContact CG2-OH 3.22Å
491T66.5Low80Confident96 Ų9649.2 Ų49.259%0.58930%0.298SS*.  trans-9615.9178.542.80000113.3L471L471-T491 HydrophobicContact CD1-CG2 3.75Å
492A62.6Low80.4Confident35 Ų3548.6 Ų48.629%0.28929%0.294SS..  trans-73.4145-174.500000112.7V468 V490V468-A492 HydrophobicContact CG2-CB 3.85Å; V490-A492 HydrophobicContact CG1-CB 3.72Å
493P53.8Low80.8Confident100 Ų10047 Ų4765%0.64929%0.285SS*.  trans-63.2156.8165-13.227.2000111.3S495P493-S495 PolarHBondContact O-N 3.31Å
494A55.8Low81.2Confident113 Ų11346.6 Ų46.693%0.93428%0.282SS*.THydrogen-bonded Turntrans-59.63.3-176.700000116.5
495S61.2Low81.6Confident97 Ų9746.8 Ų46.868%0.67828%0.283SS*.THydrogen-bonded Turntrans-82.7-9.9-178.555.80000114.7P493P493-S495 PolarHBondContact O-N 3.31Å
496C66.6Low81.6Confident35 Ų3545.6 Ų45.624%0.23628%0.275CS..SBendtrans-126.492.4180-67.90000110.9I498C496-I498 PolarHBondContact O-N 3.43Å
497P74.7Confident81.3Confident102 Ų10248.5 Ų48.566%0.66229%0.291SS*.  trans-66.4130.5177.827-32.4000110.3N543P497-N543 WeakPolarHBondContact O-CB 3.41Å
498I85.3Confident80.7Confident49 Ų4948.7 Ų48.725%0.25129%0.293SS..  trans-96129.4178.7-61.9-179.6000108.8P467 V490 C496 G500 Y501 A541P467-I498 HydrophobicContact CB-CD1 4.23Å; P467-I498 HydrophobicContact CB-CG1 4.07Å; P467-I498 HydrophobicContact CG-CG1 4.26Å; V490-I498 HydrophobicContact CB-CD1 3.91Å; V490-I498 HydrophobicContact CG1-CD1 3.63Å; V490-I498 HydrophobicContact CG2-CD1 3.62Å; C496-I498 PolarHBondContact O-N 3.43Å; I498-G500 WeakPolarHBondContact CG2-O 3.48Å; I498-Y501 HydrophobicContact CD1-CE1 4.44Å; I498-Y501 HydrophobicContact CG2-CE1 4.04Å; I498-Y501 HydrophobicContact CG2-CE2 4.25Å; I498-A541 HydrophobicContact CD1-CB 4.23Å; I498-A541 HydrophobicContact CG2-CB 4.07Å
499E88.9Confident79.9Confident93 Ų9354.9 Ų54.944%0.43533%0.326SS..  trans-91.9-24.5179.3-69.4-177.4-179.100112.9K520 Y542 N543 A544E499-K520 VanDerWaalsContact O-CE 3.26Å; E499-K520 WeakPolarHBondContact O-CE 3.46Å; E499-K520 WeakPolarHBondContact O-CG 3.4Å; E499-Y542 HydrophobicContact CB-CD2 4.13Å; E499-Y542 HydrophobicContact CB-CE2 3.93Å; E499-Y542 PolarHBondContact N-O 3.44Å; E499-N543 HydrophobicContact CG-CB 4.45Å; E499-A544 WeakPolarHBondContact OE1-CB 3.37Å; E499-A544 PolarHBondContact OE1-N 3.46Å
500G90.5Very high79.1Confident1 Ų151.2 Ų51.21%0.0133%0.33CS..EExtended strand (participates in β ladder)trans175.8-172173.500000114I498 G519 A541 Y542I498-G500 WeakPolarHBondContact CG2-O 3.48Å; G500-G519 CarbonylContact C-O 3.56Å; G500-G519 VanDerWaalsContact CA-O 3.25Å; G500-G519 WeakPolarHBondContact CA-O 3.19Å; G500-A541 CarbonylContact O-C 3.55Å; G500-A541 WeakPolarHBondContact O-CA 3.42Å; G500-Y542 VanDerWaalsContact C-CD1 3.48Å; G500-Y542 PolarHBondContact N-O 3.32Å; G500-Y542 WeakPolarHBondContact O-CD1 3.27Å; G500-Y542 PolarHBondContact O-N 3.26Å
501Y94.8Very high79Confident22 Ų2250.9 Ų50.99%0.08633%0.334CS..EExtended strand (participates in β ladder)trans-132.2151.3-175.8-55.8-82.6000110.5P470 W488 V490 I498 V518 G519 E521 T522 K540 A541P470-Y501 HydrophobicContact CG-CD1 3.92Å; P470-Y501 HydrophobicContact CG-CE1 4.05Å; W488-Y501 AromaticContact CD1-CD1 3.72Å; W488-Y501 AromaticContact CD1-CE1 3.87Å; W488-Y501 AromaticContact CE2-CG 3.99Å; W488-Y501 HydrophobicContact CZ2-CG 4.32Å; W488-Y501 AromaticContact NE1-CD1 3.29Å; W488-Y501 VanDerWaalsContact NE1-CD1 3.29Å; W488-Y501 AromaticContact NE1-CD2 3.46Å; W488-Y501 AromaticContact NE1-CE1 3.77Å; W488-Y501 AromaticContact NE1-CE2 3.95Å; W488-Y501 AromaticContact NE1-CG 3.12Å; V490-Y501 HydrophobicContact CG2-CE1 3.59Å; V490-Y501 WeakPolarHBondContact CG2-OH 3.22Å; I498-Y501 HydrophobicContact CD1-CE1 4.44Å; I498-Y501 HydrophobicContact CG2-CE1 4.04Å; I498-Y501 HydrophobicContact CG2-CE2 4.25Å; Y501-V518 WeakPolarHBondContact O-CA 3.09Å; Y501-G519 PolarHBondContact N-O 3.45Å; Y501-G519 PolarHBondContact O-N 2.96Å; Y501-E521 WeakPolarHBondContact CD2-O 3.38Å; Y501-T522 HydrophobicContact CD2-CG2 4.41Å; Y501-T522 HydrophobicContact CE2-CG2 3.68Å; Y501-K540 CarbonylContact C-O 3.51Å; Y501-K540 VanDerWaalsContact CA-O 3.25Å; Y501-K540 WeakPolarHBondContact CA-O 3.15Å; Y501-A541 HydrophobicContact CD1-CB 3.73Å; Y501-A541 HydrophobicContact CE1-CB 3.74Å
502I95.3Very high80Confident18 Ų1854.2 Ų54.29%0.09234%0.343CS..EExtended strand (participates in β ladder)trans-123.6117.7172.7-60.4163.8000107.1E504 E515 Y517 V518 V539 K540 Y542I502-E504 HydrophobicContact CG2-CG 4.4Å; I502-E515 HydrophobicContact CG2-CB 4.41Å; I502-E515 HydrophobicContact CG2-CG 3.82Å; I502-Y517 WeakPolarHBondContact CA-O 3.49Å; I502-V518 HydrophobicContact CG1-CG1 4.21Å; I502-V518 HydrophobicContact CG1-CG2 4.18Å; I502-V518 HydrophobicContact CG2-CG2 4.4Å; I502-V539 CarbonylContact O-C 3.5Å; I502-V539 WeakPolarHBondContact O-CA 3.4Å; I502-V539 WeakPolarHBondContact O-CG2 3.43Å; I502-K540 HydrophobicContact CB-CD 4.44Å; I502-K540 HydrophobicContact CB-CG 3.87Å; I502-K540 PolarHBondContact N-O 3.44Å; I502-K540 PolarHBondContact O-N 3.26Å; I502-Y542 HydrophobicContact CD1-CD1 4.03Å; I502-Y542 HydrophobicContact CD1-CE1 4.4Å; I502-Y542 HydrophobicContact CG1-CD1 3.97Å; I502-Y542 HydrophobicContact CG1-CE1 4.03Å
503L95.3Very high81.4Confident0 Ų056 Ų560%034%0.343CS..EExtended strand (participates in β ladder)trans-102.2132.5175.3172.669.9000109.1L486 W488 L505 V516 Y517 C524 V526 V539L486-L503 HydrophobicContact CB-CD2 4.38Å; L486-L503 HydrophobicContact CD1-CD1 4.4Å; L486-L503 HydrophobicContact CD1-CD2 4Å; L486-L503 HydrophobicContact CD2-CD1 4.15Å; W488-L503 HydrophobicContact CH2-CB 4.2Å; W488-L503 HydrophobicContact CH2-CD2 4.19Å; W488-L503 HydrophobicContact CZ3-CB 4.47Å; W488-L503 HydrophobicContact CZ3-CD1 4.32Å; W488-L503 HydrophobicContact CZ3-CD2 4Å; W488-L503 HydrophobicContact CZ3-CG 4.5Å; L503-L505 HydrophobicContact CD1-CD1 4.37Å; L503-L505 HydrophobicContact CD2-CD1 4.22Å; L503-L505 HydrophobicContact CG-CD1 4.05Å; L503-V516 HydrophobicContact CB-CG2 4.05Å; L503-V516 HydrophobicContact CD2-CG2 3.6Å; L503-V516 HydrophobicContact CG-CG2 3.54Å; L503-V516 VanDerWaalsContact O-CG2 3.28Å; L503-V516 WeakPolarHBondContact O-CG2 3.49Å; L503-V516 PolarHBondContact O-N 2.99Å; L503-Y517 HydrophobicContact CB-CD1 4.47Å; L503-Y517 PolarHBondContact N-O 2.83Å; L503-Y517 PolarHBondContact O-N 2.91Å; L503-C524 HydrophobicContact CD2-CB 3.94Å; L503-V526 HydrophobicContact CD2-CG2 4.19Å; L503-V539 HydrophobicContact CD1-CB 4.21Å
504E95.1Very high83.1Confident10 Ų1059.8 Ų59.85%0.04734%0.344CS..EExtended strand (participates in β ladder)trans-122.2139.6178.7-72173.4-162.100111.2I502 Y513 R514 E515 A537 R538 K540 Y550I502-E504 HydrophobicContact CG2-CG 4.4Å; E504-Y513 HydrophobicContact CB-CD1 3.96Å; E504-Y513 HydrophobicContact CB-CG 4.46Å; E504-R514 VanDerWaalsContact CA-O 3.22Å; E504-R514 WeakPolarHBondContact CA-O 3.47Å; E504-E515 HydrophobicContact CG-CG 4Å; E504-A537 VanDerWaalsContact O-CA 3.28Å; E504-A537 WeakPolarHBondContact O-CA 3.28Å; E504-R538 HydrophobicContact CB-CG 4.12Å; E504-R538 PolarHBondContact N-O 3.07Å; E504-R538 PolarHBondContact O-N 3.35Å; E504-R538 IonicContact OE2-CZ 3.27Å; E504-R538 VanDerWaalsContact OE2-CZ 3.27Å; E504-R538 IonicContact OE2-NE 2.88Å; E504-R538 PolarHBondContact OE2-NE 3.11Å; E504-R538 IonicContact OE2-NH2 2.79Å; E504-R538 PolarHBondContact OE2-NH2 2.82Å; E504-K540 IonicContact OE1-NZ 3.21Å; E504-K540 PolarHBondContact OE1-NZ 3.48Å; E504-Y550 HydrophobicContact CG-CE1 4.46Å; E504-Y550 WeakPolarHBondContact OE1-CE1 3.46Å; E504-Y550 PolarHBondContact OE1-OH 3.27Å; E504-Y550 VanDerWaalsContact OE2-CE1 3.3Å; E504-Y550 WeakPolarHBondContact OE2-CE1 3.38Å; E504-Y550 PolarHBondContact OE2-OH 3.17Å; E504-Y550 VanDerWaalsContact OE2-OH 3.05Å
505L93.1Very high84.9Confident4 Ų459.9 Ų59.92%0.02133%0.325CS..EExtended strand (participates in β ladder)trans-123.9146.2168.4-81.584.1000110.3L486 L503 Y513 R514 V516 V526 L529 Y535 N536 A537 L556L486-L505 HydrophobicContact CD1-CD1 4.26Å; L503-L505 HydrophobicContact CD1-CD1 4.37Å; L503-L505 HydrophobicContact CD2-CD1 4.22Å; L503-L505 HydrophobicContact CG-CD1 4.05Å; L505-Y513 CarbonylContact O-C 3.54Å; L505-Y513 WeakPolarHBondContact O-CA 3.4Å; L505-R514 PolarHBondContact N-O 3.25Å; L505-R514 PolarHBondContact O-N 3.38Å; L505-V516 HydrophobicContact CB-CG1 4.22Å; L505-V516 HydrophobicContact CD1-CB 4.26Å; L505-V516 HydrophobicContact CD1-CG1 4.04Å; L505-V516 HydrophobicContact CD1-CG2 3.33Å; L505-V526 HydrophobicContact CD1-CG2 3.98Å; L505-L529 HydrophobicContact CD2-CD1 4.4Å; L505-L529 HydrophobicContact CD2-CD2 4.22Å; L505-Y535 HydrophobicContact CD2-CD1 4.48Å; L505-Y535 HydrophobicContact CD2-CG 4.41Å; L505-N536 CarbonylContact C-O 3.5Å; L505-N536 VanDerWaalsContact CA-O 3.3Å; L505-N536 WeakPolarHBondContact CA-O 3.3Å; L505-A537 HydrophobicContact CD1-CB 4.2Å; L505-A537 HydrophobicContact CG-CB 3.89Å; L505-L556 HydrophobicContact CD2-CD1 4.25Å
506D90.4Very high86.4Confident8 Ų858 Ų584%0.04331%0.309CS..  trans-74.3-177.4168.576.1-8.2000112.4G508 G510 Y513 Y535 N536D506-G508 PolarHBondContact O-N 3.03Å; D506-G508 PolarHBondContact OD1-N 3.17Å; D506-G508 VanDerWaalsContact OD1-N 3.1Å; D506-G510 WeakPolarHBondContact OD2-CA 3.47Å; D506-G510 PolarHBondContact OD2-N 3.12Å; D506-Y513 HydrophobicContact CB-CD1 4.4Å; D506-Y513 HydrophobicContact CB-CE1 4.37Å; D506-Y535 VanDerWaalsContact O-CD1 3.29Å; D506-Y535 WeakPolarHBondContact O-CD1 3.23Å; D506-Y535 VanDerWaalsContact OD1-CA 3.23Å; D506-Y535 WeakPolarHBondContact OD1-CA 3.45Å; D506-N536 HydrophobicContact CB-CB 4.35Å; D506-N536 VanDerWaalsContact CG-N 3.33Å; D506-N536 PolarHBondContact N-O 2.94Å; D506-N536 PolarHBondContact OD1-N 3.45Å; D506-N536 WeakPolarHBondContact OD2-CB 3.4Å; D506-N536 PolarHBondContact OD2-ND2 3.44Å
507D82.9Confident87.8Confident62 Ų6258.5 Ų58.533%0.33231%0.307SS..  trans-82.25.2179.765.6-2.6000114.3N509 G510 G511D507-N509 VanDerWaalsContact C-N 3.3Å; D507-N509 PolarHBondContact OD1-N 3.28Å; D507-G510 PolarHBondContact OD1-N 3.05Å; D507-G511 WeakPolarHBondContact OD1-CA 3.24Å; D507-G511 PolarHBondContact OD1-N 3.11Å
508G80.4Confident88.7Confident6 Ų657.5 Ų57.56%0.06230%0.299CS..SBendtrans80.26.8-176.800000114.9D506 A534D506-G508 PolarHBondContact O-N 3.03Å; D506-G508 PolarHBondContact OD1-N 3.17Å; D506-G508 VanDerWaalsContact OD1-N 3.1Å; G508-A534 CarbonylContact C-O 3.48Å; G508-A534 WeakPolarHBondContact CA-O 3.32Å
509N75Confident89Confident130 Ų13056 Ų5670%0.69530%0.295SS*.SBendtrans-128.117177.3-76.10.8000111.9D507 G511D507-N509 VanDerWaalsContact C-N 3.3Å; D507-N509 PolarHBondContact OD1-N 3.28Å; N509-G511 VanDerWaalsContact C-N 3.29Å
510G72.3Confident89Confident57 Ų5759 Ų5959%0.58831%0.306SS*.SBendtrans7319.9-175.700000114.1D506 D507D506-G510 WeakPolarHBondContact OD2-CA 3.47Å; D506-G510 PolarHBondContact OD2-N 3.12Å; D507-G510 PolarHBondContact OD1-N 3.05Å
511G78.9Confident89Confident31 Ų3165 Ų6532%0.3233%0.334SS..  trans-81.1-153.2175.700000113.5D507 N509D507-G511 WeakPolarHBondContact OD1-CA 3.24Å; D507-G511 PolarHBondContact OD1-N 3.11Å; N509-G511 VanDerWaalsContact C-N 3.29Å
512Q86.7Confident88.8Confident166 Ų16666.6 Ų66.678%0.77635%0.346SS*.  trans-71.1140.5-176.2-69.1-175.4-4.600112.3
513Y91.6Very high88.6Confident72 Ų7269.2 Ų69.228%0.28236%0.363SS..  trans-70.2140.7169.9-74.5-90.1000111.2E504 L505 D506 N536 R538E504-Y513 HydrophobicContact CB-CD1 3.96Å; E504-Y513 HydrophobicContact CB-CG 4.46Å; L505-Y513 CarbonylContact O-C 3.54Å; L505-Y513 WeakPolarHBondContact O-CA 3.4Å; D506-Y513 HydrophobicContact CB-CD1 4.4Å; D506-Y513 HydrophobicContact CB-CE1 4.37Å; Y513-N536 HydrophobicContact CE1-CB 4.12Å; Y513-N536 WeakPolarHBondContact CE1-O 3.5Å; Y513-N536 WeakPolarHBondContact OH-CB 3.17Å; Y513-R538 HydrophobicContact CD1-CG 4.12Å; Y513-R538 HydrophobicContact CE1-CG 3.91Å
514R90.8Very high88.4Confident179 Ų17970 Ų7068%0.67537%0.368SS*.EExtended strand (participates in β ladder)trans-123138.6173.7-64.2-178-176.6174.52.5109.6E504 L505 V516E504-R514 VanDerWaalsContact CA-O 3.22Å; E504-R514 WeakPolarHBondContact CA-O 3.47Å; L505-R514 PolarHBondContact N-O 3.25Å; L505-R514 PolarHBondContact O-N 3.38Å; R514-V516 PolarHBondContact O-N 3.01Å
515E93.3Very high88.2Confident116 Ų11672.8 Ų72.854%0.54239%0.386SS..EExtended strand (participates in β ladder)trans-69.2115.7172.2-62-178.5164.800108.9I502 E504I502-E515 HydrophobicContact CG2-CB 4.41Å; I502-E515 HydrophobicContact CG2-CG 3.82Å; E504-E515 HydrophobicContact CG-CG 4Å
516V92.6Very high88Confident56 Ų5673.4 Ų73.434%0.33939%0.39SS..EExtended strand (participates in β ladder)trans-102.2-17.6179.3-670000112.1L503 L505 R514 V526L503-V516 HydrophobicContact CB-CG2 4.05Å; L503-V516 HydrophobicContact CD2-CG2 3.6Å; L503-V516 HydrophobicContact CG-CG2 3.54Å; L503-V516 VanDerWaalsContact O-CG2 3.28Å; L503-V516 WeakPolarHBondContact O-CG2 3.49Å; L503-V516 PolarHBondContact O-N 2.99Å; L505-V516 HydrophobicContact CB-CG1 4.22Å; L505-V516 HydrophobicContact CD1-CB 4.26Å; L505-V516 HydrophobicContact CD1-CG1 4.04Å; L505-V516 HydrophobicContact CD1-CG2 3.33Å; R514-V516 PolarHBondContact O-N 3.01Å; V516-V526 HydrophobicContact CB-CG1 4.29Å; V516-V526 HydrophobicContact CB-CG2 4.08Å; V516-V526 HydrophobicContact CG1-CG1 4.12Å; V516-V526 HydrophobicContact CG2-CG2 3.8Å
517Y94.9Very high87.9Confident47 Ų4778.5 Ų78.518%0.18442%0.417CS..EExtended strand (participates in β ladder)trans-154.2136.5179.9171.6-90.9000111.5W488 I502 L503 G519 K520 E521 C524W488-Y517 AromaticContact CH2-CD1 3.94Å; W488-Y517 HydrophobicContact CH2-CD1 3.94Å; W488-Y517 HydrophobicContact CH2-CE1 4.2Å; W488-Y517 HydrophobicContact CZ2-CD1 4.04Å; W488-Y517 AromaticContact CZ2-CE1 3.95Å; W488-Y517 HydrophobicContact CZ2-CE1 3.95Å; I502-Y517 WeakPolarHBondContact CA-O 3.49Å; L503-Y517 HydrophobicContact CB-CD1 4.47Å; L503-Y517 PolarHBondContact N-O 2.83Å; L503-Y517 PolarHBondContact O-N 2.91Å; Y517-G519 VanDerWaalsContact OH-CA 3.27Å; Y517-G519 WeakPolarHBondContact OH-CA 3.33Å; Y517-K520 PolarHBondContact OH-N 2.68Å; Y517-E521 WeakPolarHBondContact OH-CA 3.24Å; Y517-E521 WeakPolarHBondContact OH-CB 3.34Å; Y517-E521 PolarHBondContact OH-N 3.38Å; Y517-C524 WeakPolarHBondContact CB-SG 3.07Å; Y517-C524 HydrophobicContact CD1-CB 4.38Å; Y517-C524 HydrophobicContact CD2-CB 4.09Å; Y517-C524 HydrophobicContact CG-CB 3.96Å
518V93.9Very high88Confident81 Ų8178.2 Ų78.249%0.49143%0.428SS..EExtended strand (participates in β ladder)trans-135.4116.4171.1-176.20000108Y501 I502 Y542Y501-V518 WeakPolarHBondContact O-CA 3.09Å; I502-V518 HydrophobicContact CG1-CG1 4.21Å; I502-V518 HydrophobicContact CG1-CG2 4.18Å; I502-V518 HydrophobicContact CG2-CG2 4.4Å; V518-Y542 HydrophobicContact CG1-CE1 4.24Å
519G91.5Very high88.4Confident16 Ų1678.8 Ų78.817%0.16543%0.43CS..EExtended strand (participates in β ladder)trans171.8-175-178.600000114.4G500 Y501 Y517G500-G519 CarbonylContact C-O 3.56Å; G500-G519 VanDerWaalsContact CA-O 3.25Å; G500-G519 WeakPolarHBondContact CA-O 3.19Å; Y501-G519 PolarHBondContact N-O 3.45Å; Y501-G519 PolarHBondContact O-N 2.96Å; Y517-G519 VanDerWaalsContact OH-CA 3.27Å; Y517-G519 WeakPolarHBondContact OH-CA 3.33Å
520K89.1Confident88.9Confident157 Ų15775.5 Ų75.568%0.68341%0.411SS*.SBendtrans-86.6-19.3-174-75.1176-178.3-176.10114.5E499 Y517E499-K520 VanDerWaalsContact O-CE 3.26Å; E499-K520 WeakPolarHBondContact O-CE 3.46Å; E499-K520 WeakPolarHBondContact O-CG 3.4Å; Y517-K520 PolarHBondContact OH-N 2.68Å
521E90.9Very high89.7Confident127 Ų12773.4 Ų73.459%0.59339%0.385SS*.  trans-69.6150.8-177.4-56-57.7139.400110.8W488 Y501 Y517W488-E521 VanDerWaalsContact CZ2-O 3.25Å; W488-E521 WeakPolarHBondContact CZ2-O 3.46Å; Y501-E521 WeakPolarHBondContact CD2-O 3.38Å; Y517-E521 WeakPolarHBondContact OH-CA 3.24Å; Y517-E521 WeakPolarHBondContact OH-CB 3.34Å; Y517-E521 PolarHBondContact OH-N 3.38Å
522T89.9Confident90Very high55 Ų5576.5 Ų76.534%0.33740%0.395SS..SBendtrans-103.710.1179.461.10000112.8A487 W488 Y501A487-T522 CarbonylContact C-O 3.58Å; A487-T522 WeakPolarHBondContact CA-O 3.48Å; W488-T522 PolarHBondContact N-O 3.04Å; W488-T522 WeakPolarHBondContact O-CB 3.37Å; Y501-T522 HydrophobicContact CD2-CG2 4.41Å; Y501-T522 HydrophobicContact CE2-CG2 3.68Å
523V91.1Very high90Very high74 Ų7469.1 Ų69.145%0.44836%0.361SS..EExtended strand (participates in β ladder)trans-138.1135.2176.6-1760000108.2T485 L486 A487T485-V523 HydrophobicContact CG2-CG1 3.87Å; L486-V523 CarbonylContact O-C 3.55Å; L486-V523 VanDerWaalsContact O-CA 3.31Å; L486-V523 WeakPolarHBondContact O-CA 3.5Å; A487-V523 HydrophobicContact CB-CG1 4.5Å; A487-V523 HydrophobicContact CB-CG2 3.9Å
524C91.9Very high89.8Confident15 Ų1568 Ų6810%0.10137%0.366CS..EExtended strand (participates in β ladder)trans-144.2134.7177.4173.60000110.4T485 L486 W488 L503 Y517T485-C524 CarbonylContact C-O 3.56Å; T485-C524 WeakPolarHBondContact CA-O 3.44Å; L486-C524 PolarHBondContact N-O 2.96Å; L486-C524 PolarHBondContact O-N 2.99Å; W488-C524 HydrophobicContact CH2-CB 3.71Å; W488-C524 HydrophobicContact CZ3-CB 4.05Å; L503-C524 HydrophobicContact CD2-CB 3.94Å; Y517-C524 WeakPolarHBondContact CB-SG 3.07Å; Y517-C524 HydrophobicContact CD1-CB 4.38Å; Y517-C524 HydrophobicContact CD2-CB 4.09Å; Y517-C524 HydrophobicContact CG-CB 3.96Å
525T90.9Very high89.6Confident70 Ų7059.8 Ų59.843%0.42934%0.336SS..EExtended strand (participates in β ladder)trans-103127.8169.4-57.40000109.7A484 T485A484-T525 CarbonylContact O-C 3.46Å; A484-T525 WeakPolarHBondContact O-CA 3.36Å; T485-T525 WeakPolarHBondContact OG1-CG2 3.45Å; T485-T525 PolarHBondContact OG1-OG1 2.92Å
526V89.8Confident89.4Confident17 Ų1756.2 Ų56.210%0.10332%0.32CS..EExtended strand (participates in β ladder)trans-106.6110.4177.9-173.80000107.7S483 A484 L486 L503 L505 V516 L529S483-V526 CarbonylContact C-O 3.21Å; S483-V526 WeakPolarHBondContact CA-O 3.48Å; A484-V526 PolarHBondContact N-O 3.08Å; A484-V526 PolarHBondContact O-N 3.39Å; L486-V526 HydrophobicContact CD1-CG2 4.42Å; L503-V526 HydrophobicContact CD2-CG2 4.19Å; L505-V526 HydrophobicContact CD1-CG2 3.98Å; V516-V526 HydrophobicContact CB-CG1 4.29Å; V516-V526 HydrophobicContact CB-CG2 4.08Å; V516-V526 HydrophobicContact CG1-CG1 4.12Å; V516-V526 HydrophobicContact CG2-CG2 3.8Å; V526-L529 HydrophobicContact CG1-CD2 3.88Å; V526-L529 HydrophobicContact CG1-CG 4.33Å
527D88.3Confident89.3Confident115 Ų11553.6 Ų53.662%0.61530%0.304SS*.  trans-94.3163178.1-65.2-60.3000112.1S483S483-D527 WeakPolarHBondContact CB-OD1 3.23Å; S483-D527 PolarHBondContact OG-OD1 2.85Å
528G83.8Confident89.3Confident55 Ų5554.1 Ų54.157%0.56731%0.306SS*.  trans77.920.5171.900000114.6N482N482-G528 PolarHBondContact O-N 2.91Å; N482-G528 VanDerWaalsContact O-N 3.14Å
529L88.5Confident89.3Confident19 Ų1950.3 Ų50.310%0.09928%0.283CS..PPolyproline II helixtrans-67.7153.8171.5-58.3177.1000110.4N482 A484 L505 V526 Y535 T558N482-L529 WeakPolarHBondContact CB-O 3.35Å; N482-L529 WeakPolarHBondContact O-CA 3.41Å; N482-L529 VanDerWaalsContact O-CB 3.29Å; N482-L529 WeakPolarHBondContact O-CB 3.38Å; N482-L529 PolarHBondContact O-N 3.16Å; A484-L529 HydrophobicContact CB-CD1 3.64Å; L505-L529 HydrophobicContact CD2-CD1 4.4Å; L505-L529 HydrophobicContact CD2-CD2 4.22Å; V526-L529 HydrophobicContact CG1-CD2 3.88Å; V526-L529 HydrophobicContact CG1-CG 4.33Å; L529-Y535 HydrophobicContact CB-CE2 3.82Å; L529-Y535 HydrophobicContact CD1-CD2 4.25Å; L529-Y535 HydrophobicContact CD1-CE2 4.37Å; L529-Y535 HydrophobicContact CD2-CD1 4.26Å; L529-Y535 HydrophobicContact CD2-CE1 4Å; L529-Y535 HydrophobicContact CD2-CE2 4.32Å; L529-Y535 HydrophobicContact CG-CE2 4.4Å; L529-T558 HydrophobicContact CB-CG2 3.83Å; L529-T558 HydrophobicContact CD1-CG2 3.99Å
530H87.1Confident89.4Confident61 Ų6150.8 Ų50.828%0.28228%0.28SS..PPolyproline II helixtrans-70.3142.9172.3-52.7123.9000112.1S533 Y535 T558 S601 K602H530-S533 WeakPolarHBondContact O-CB 3.32Å; H530-Y535 VanDerWaalsContact CB-OH 3.23Å; H530-Y535 WeakPolarHBondContact CB-OH 3.36Å; H530-Y535 PolarHBondContact N-OH 3.47Å; H530-Y535 PolarHBondContact ND1-OH 3.49Å; H530-Y535 VanDerWaalsContact ND1-OH 3.11Å; H530-T558 WeakPolarHBondContact O-CB 3.41Å; H530-T558 PolarHBondContact O-OG1 3.08Å; H530-S601 PolarHBondContact CD2-OG 3.12Å; H530-S601 PolarHBondContact NE2-OG 3.34Å; H530-K602 HydrophobicContact CB-CD 3.89Å; H530-K602 HydrophobicContact CB-CG 3.94Å; H530-K602 WeakPolarHBondContact ND1-CD 3.42Å; H530-K602 VanDerWaalsContact ND1-CE 3.34Å; H530-K602 WeakPolarHBondContact ND1-CE 3.41Å; H530-K602 PolarHBondContact ND1-NZ 3.04Å
531F87.8Confident89.6Confident12 Ų1243.3 Ų43.35%0.05325%0.248CC..SBendtrans-63157.4170.8-62.6-78.4000112.5N481 N482 S533 A562 A598 F600N481-F531 HydrophobicContact CB-CE1 4.49Å; N481-F531 VanDerWaalsContact OD1-CE1 3.26Å; N481-F531 WeakPolarHBondContact OD1-CE1 3.45Å; N482-F531 HydrophobicContact CB-CD1 4.27Å; N482-F531 HydrophobicContact CB-CE1 3.69Å; N482-F531 HydrophobicContact CB-CE2 4.09Å; N482-F531 HydrophobicContact CB-CZ 3.6Å; F531-S533 PolarHBondContact O-N 3.46Å; F531-S533 VanDerWaalsContact O-N 3.12Å; F531-S533 PolarHBondContact O-OG 3.36Å; F531-A562 HydrophobicContact CD1-CB 3.98Å; F531-A562 HydrophobicContact CD2-CB 4.08Å; F531-A562 HydrophobicContact CE1-CB 3.8Å; F531-A562 HydrophobicContact CE2-CB 3.9Å; F531-A562 HydrophobicContact CG-CB 4.12Å; F531-A562 HydrophobicContact CZ-CB 3.74Å; F531-A598 HydrophobicContact CE2-CB 4.36Å; F531-A598 HydrophobicContact CZ-CB 4.35Å; F531-F600 AromaticContact CD2-CD1 3.93Å; F531-F600 HydrophobicContact CD2-CD1 3.93Å; F531-F600 AromaticContact CD2-CE1 3.65Å; F531-F600 HydrophobicContact CD2-CE1 3.65Å; F531-F600 AromaticContact CE2-CD1 4Å; F531-F600 HydrophobicContact CE2-CD1 4Å; F531-F600 AromaticContact CE2-CE1 3.5Å; F531-F600 HydrophobicContact CE2-CE1 3.5Å; F531-F600 VanDerWaalsContact CE2-CE1 3.5Å; F531-F600 HydrophobicContact CE2-CZ 4.45Å; F531-F600 HydrophobicContact CZ-CE1 4.43Å
532N85.7Confident89.6Confident97 Ų9740 Ų4052%0.51923%0.23SC..SBendtrans43.546.1179.3-16917.9000112.7T558 S559 D560N532-T558 PolarHBondContact N-OG1 3.14Å; N532-S559 PolarHBondContact N-O 2.83Å; N532-D560 PolarHBondContact OD1-OD1 3.44Å
533S86.2Confident89.6Confident10 Ų1038.1 Ų38.17%0.0722%0.218CC..  trans-131.6143-174.9-63.70000110.3H530 F531 T558 K602H530-S533 WeakPolarHBondContact O-CB 3.32Å; F531-S533 PolarHBondContact O-N 3.46Å; F531-S533 VanDerWaalsContact O-N 3.12Å; F531-S533 PolarHBondContact O-OG 3.36Å; S533-T558 PolarHBondContact N-OG1 3.06Å; S533-T558 PolarHBondContact O-N 3.41Å; S533-T558 PolarHBondContact O-OG1 3.22Å; S533-T558 VanDerWaalsContact O-OG1 3.14Å; S533-K602 WeakPolarHBondContact OG-CE 3.5Å; S533-K602 PolarHBondContact OG-NZ 3.48Å
534A87.8Confident89.4Confident48 Ų4838.8 Ų38.840%0.39723%0.232SC..EExtended strand (participates in β ladder)trans-102.6118.1178.200000109.6G508 V555 L556G508-A534 CarbonylContact C-O 3.48Å; G508-A534 WeakPolarHBondContact CA-O 3.32Å; A534-V555 HydrophobicContact CB-CG1 4.14Å; A534-L556 CarbonylContact C-O 3.54Å; A534-L556 VanDerWaalsContact CA-O 3.27Å; A534-L556 WeakPolarHBondContact CA-O 3.25Å
535Y87.3Confident89.1Confident8 Ų841.6 Ų41.63%0.03125%0.248CC..EExtended strand (participates in β ladder)trans-106136-179.9-67.5-91.4000111.3L505 D506 L529 H530 V555 L556 T558L505-Y535 HydrophobicContact CD2-CD1 4.48Å; L505-Y535 HydrophobicContact CD2-CG 4.41Å; D506-Y535 VanDerWaalsContact O-CD1 3.29Å; D506-Y535 WeakPolarHBondContact O-CD1 3.23Å; D506-Y535 VanDerWaalsContact OD1-CA 3.23Å; D506-Y535 WeakPolarHBondContact OD1-CA 3.45Å; L529-Y535 HydrophobicContact CB-CE2 3.82Å; L529-Y535 HydrophobicContact CD1-CD2 4.25Å; L529-Y535 HydrophobicContact CD1-CE2 4.37Å; L529-Y535 HydrophobicContact CD2-CD1 4.26Å; L529-Y535 HydrophobicContact CD2-CE1 4Å; L529-Y535 HydrophobicContact CD2-CE2 4.32Å; L529-Y535 HydrophobicContact CG-CE2 4.4Å; H530-Y535 VanDerWaalsContact CB-OH 3.23Å; H530-Y535 WeakPolarHBondContact CB-OH 3.36Å; H530-Y535 PolarHBondContact N-OH 3.47Å; H530-Y535 PolarHBondContact ND1-OH 3.49Å; H530-Y535 VanDerWaalsContact ND1-OH 3.11Å; Y535-V555 CarbonylContact O-C 3.55Å; Y535-V555 WeakPolarHBondContact O-CA 3.47Å; Y535-L556 PolarHBondContact N-O 2.89Å; Y535-L556 PolarHBondContact O-N 2.88Å; Y535-T558 HydrophobicContact CD2-CG2 4.14Å; Y535-T558 HydrophobicContact CE2-CG2 3.94Å
536N88.7Confident88.9Confident41 Ų4139.4 Ų39.422%0.21924%0.24CC..EExtended strand (participates in β ladder)trans-91.3125.4169.8-67-67.2000109.7L505 D506 Y513 T553 V554L505-N536 CarbonylContact C-O 3.5Å; L505-N536 VanDerWaalsContact CA-O 3.3Å; L505-N536 WeakPolarHBondContact CA-O 3.3Å; D506-N536 HydrophobicContact CB-CB 4.35Å; D506-N536 VanDerWaalsContact CG-N 3.33Å; D506-N536 PolarHBondContact N-O 2.94Å; D506-N536 PolarHBondContact OD1-N 3.45Å; D506-N536 WeakPolarHBondContact OD2-CB 3.4Å; D506-N536 PolarHBondContact OD2-ND2 3.44Å; Y513-N536 HydrophobicContact CE1-CB 4.12Å; Y513-N536 WeakPolarHBondContact CE1-O 3.5Å; Y513-N536 WeakPolarHBondContact OH-CB 3.17Å; N536-T553 HydrophobicContact CB-CG2 3.75Å; N536-V554 WeakPolarHBondContact CA-O 3.44Å
537A91.1Very high88.9Confident0 Ų042.3 Ų42.30%026%0.257CS..EExtended strand (participates in β ladder)trans-122.3141.9-179.400000112.2L486 E504 L505 T553 V554 L556L486-A537 HydrophobicContact CD2-CB 3.54Å; E504-A537 VanDerWaalsContact O-CA 3.28Å; E504-A537 WeakPolarHBondContact O-CA 3.28Å; L505-A537 HydrophobicContact CD1-CB 4.2Å; L505-A537 HydrophobicContact CG-CB 3.89Å; A537-T553 CarbonylContact O-C 3.35Å; A537-T553 WeakPolarHBondContact O-CA 3.32Å; A537-V554 HydrophobicContact CB-CG1 3.84Å; A537-V554 PolarHBondContact N-O 3.04Å; A537-V554 PolarHBondContact O-N 3.13Å; A537-L556 HydrophobicContact CB-CD1 3.91Å
538R93.3Very high89Confident59 Ų5937.2 Ų37.222%0.22323%0.232CC..EExtended strand (participates in β ladder)trans-148.7150177.762.5-176.7-173.3-176.52111E504 Y513 Y550E504-R538 HydrophobicContact CB-CG 4.12Å; E504-R538 PolarHBondContact N-O 3.07Å; E504-R538 PolarHBondContact O-N 3.35Å; E504-R538 IonicContact OE2-CZ 3.27Å; E504-R538 VanDerWaalsContact OE2-CZ 3.27Å; E504-R538 IonicContact OE2-NE 2.88Å; E504-R538 PolarHBondContact OE2-NE 3.11Å; E504-R538 IonicContact OE2-NH2 2.79Å; E504-R538 PolarHBondContact OE2-NH2 2.82Å; Y513-R538 HydrophobicContact CD1-CG 4.12Å; Y513-R538 HydrophobicContact CE1-CG 3.91Å; R538-Y550 HydrophobicContact CB-CD1 4.09Å; R538-Y550 HydrophobicContact CG-CD1 3.6Å; R538-Y550 HydrophobicContact CG-CE1 3.91Å; R538-Y550 HydrophobicContact CG-CG 4.37Å
539V94.9Very high89.3Confident0 Ų038.1 Ų38.10%023%0.228CC..EExtended strand (participates in β ladder)trans-130.6142.9-177.859.50000111.3P470 L472 W488 I502 L503 Y550 S551P470-V539 HydrophobicContact CB-CG1 3.92Å; P470-V539 HydrophobicContact CG-CG1 4.28Å; P470-V539 HydrophobicContact CG-CG2 4.35Å; L472-V539 HydrophobicContact CD2-CG1 4Å; L472-V539 HydrophobicContact CG-CG1 4.05Å; W488-V539 HydrophobicContact CB-CG1 4.04Å; W488-V539 HydrophobicContact CD2-CB 4.42Å; W488-V539 HydrophobicContact CD2-CG1 4.28Å; W488-V539 HydrophobicContact CD2-CG2 3.85Å; W488-V539 HydrophobicContact CE3-CG2 4.35Å; W488-V539 HydrophobicContact CG-CG1 4.06Å; W488-V539 HydrophobicContact CG-CG2 4.12Å; W488-V539 HydrophobicContact CZ2-CG2 4.19Å; I502-V539 CarbonylContact O-C 3.5Å; I502-V539 WeakPolarHBondContact O-CA 3.4Å; I502-V539 WeakPolarHBondContact O-CG2 3.43Å; L503-V539 HydrophobicContact CD1-CB 4.21Å; V539-Y550 CarbonylContact O-C 3.51Å; V539-Y550 WeakPolarHBondContact O-CA 3.37Å; V539-S551 PolarHBondContact N-OG 2.9Å; V539-S551 WeakPolarHBondContact O-CB 3.37Å; V539-S551 PolarHBondContact O-N 3.44Å
540K93.8Very high89.5Confident27 Ų2741 Ų4112%0.11724%0.238CC..EExtended strand (participates in β ladder)trans-127.4155173.663.3-169.8177.3-164.90110.3Y501 I502 E504 V547 Y550Y501-K540 CarbonylContact C-O 3.51Å; Y501-K540 VanDerWaalsContact CA-O 3.25Å; Y501-K540 WeakPolarHBondContact CA-O 3.15Å; I502-K540 HydrophobicContact CB-CD 4.44Å; I502-K540 HydrophobicContact CB-CG 3.87Å; I502-K540 PolarHBondContact N-O 3.44Å; I502-K540 PolarHBondContact O-N 3.26Å; E504-K540 IonicContact OE1-NZ 3.21Å; E504-K540 PolarHBondContact OE1-NZ 3.48Å; K540-V547 HydrophobicContact CB-CG1 4.4Å; K540-V547 HydrophobicContact CD-CG1 3.5Å; K540-V547 HydrophobicContact CG-CG1 3.89Å; K540-Y550 HydrophobicContact CB-CD1 3.97Å; K540-Y550 HydrophobicContact CB-CE1 4.27Å; K540-Y550 HydrophobicContact CB-CG 4.38Å; K540-Y550 HydrophobicContact CD-CD1 4.1Å; K540-Y550 HydrophobicContact CD-CE1 3.55Å; K540-Y550 HydrophobicContact CD-CE2 4.18Å; K540-Y550 HydrophobicContact CG-CD1 4.26Å; K540-Y550 HydrophobicContact CG-CE1 4.05Å; K540-Y550 PolarHBondContact NZ-OH 2.9Å
541A92.4Very high89.8Confident0 Ų038.6 Ų38.60%023%0.227CC..EExtended strand (participates in β ladder)trans-107.7153.3176.300000110.9P467 P470 I498 G500 Y501 G548P467-A541 HydrophobicContact CB-CB 3.67Å; P467-A541 HydrophobicContact CG-CB 4.29Å; P470-A541 HydrophobicContact CG-CB 3.91Å; I498-A541 HydrophobicContact CD1-CB 4.23Å; I498-A541 HydrophobicContact CG2-CB 4.07Å; G500-A541 CarbonylContact O-C 3.55Å; G500-A541 WeakPolarHBondContact O-CA 3.42Å; Y501-A541 HydrophobicContact CD1-CB 3.73Å; Y501-A541 HydrophobicContact CE1-CB 3.74Å; A541-G548 PolarHBondContact O-N 3.06Å
542Y91.4Very high89.6Confident57 Ų5747.2 Ų47.222%0.22427%0.265CS..EExtended strand (participates in β ladder)trans-137.2155.9175.967.8-92.4000112.4E499 G500 I502 V518 G546E499-Y542 HydrophobicContact CB-CD2 4.13Å; E499-Y542 HydrophobicContact CB-CE2 3.93Å; E499-Y542 PolarHBondContact N-O 3.44Å; G500-Y542 VanDerWaalsContact C-CD1 3.48Å; G500-Y542 PolarHBondContact N-O 3.32Å; G500-Y542 WeakPolarHBondContact O-CD1 3.27Å; G500-Y542 PolarHBondContact O-N 3.26Å; I502-Y542 HydrophobicContact CD1-CD1 4.03Å; I502-Y542 HydrophobicContact CD1-CE1 4.4Å; I502-Y542 HydrophobicContact CG1-CD1 3.97Å; I502-Y542 HydrophobicContact CG1-CE1 4.03Å; V518-Y542 HydrophobicContact CG1-CE1 4.24Å; Y542-G546 WeakPolarHBondContact CA-O 3.42Å
543N89.6Confident89.7Confident15 Ų1546.1 Ų46.18%0.0826%0.262CS..EExtended strand (participates in β ladder)trans-143.8-175.5172.868.96.3000110.5A465 P467 P497 E499 V545 G546A465-N543 PolarHBondContact O-ND2 3.44Å; P467-N543 HydrophobicContact CG-CB 3.86Å; P497-N543 WeakPolarHBondContact O-CB 3.41Å; E499-N543 HydrophobicContact CG-CB 4.45Å; N543-V545 PolarHBondContact O-N 3.45Å; N543-V545 WeakPolarHBondContact OD1-CA 3.29Å; N543-V545 VanDerWaalsContact OD1-CB 3.26Å; N543-V545 WeakPolarHBondContact OD1-CB 3.37Å; N543-V545 PolarHBondContact OD1-N 2.91Å; N543-G546 PolarHBondContact N-O 3.4Å; N543-G546 PolarHBondContact O-N 2.97Å; N543-G546 PolarHBondContact OD1-N 3.23Å; N543-G546 VanDerWaalsContact OD1-N 3.15Å; N543-G546 PolarHBondContact OD1-O 2.89Å
544A86.6Confident89.7Confident89 Ų8946.7 Ų46.774%0.73627%0.265SS*.THydrogen-bonded Turntrans-56.2-21.317700000115.3E499E499-A544 WeakPolarHBondContact OE1-CB 3.37Å; E499-A544 PolarHBondContact OE1-N 3.46Å
545V86.2Confident89.6Confident74 Ų7449 Ų4945%0.44827%0.274SS..THydrogen-bonded Turntrans-82.3-35.9177.8-173.90000110.9P464 V466 N543P464-V545 HydrophobicContact CB-CG2 3.76Å; P464-V545 WeakPolarHBondContact O-CG1 3.49Å; V466-V545 HydrophobicContact CG1-CB 4.29Å; V466-V545 HydrophobicContact CG1-CG1 3.97Å; N543-V545 PolarHBondContact O-N 3.45Å; N543-V545 WeakPolarHBondContact OD1-CA 3.29Å; N543-V545 VanDerWaalsContact OD1-CB 3.26Å; N543-V545 WeakPolarHBondContact OD1-CB 3.37Å; N543-V545 PolarHBondContact OD1-N 2.91Å
546G86.9Confident89.5Confident24 Ų2449.1 Ų49.125%0.24728%0.275CS..EExtended strand (participates in β ladder)trans154.9-163.6179.300000113.8Y542 N543Y542-G546 WeakPolarHBondContact CA-O 3.42Å; N543-G546 PolarHBondContact N-O 3.4Å; N543-G546 PolarHBondContact O-N 2.97Å; N543-G546 PolarHBondContact OD1-N 3.23Å; N543-G546 VanDerWaalsContact OD1-N 3.15Å; N543-G546 PolarHBondContact OD1-O 2.89Å
547V90.1Very high89.3Confident77 Ų7752.4 Ų52.447%0.46729%0.287SS..EExtended strand (participates in β ladder)trans-99.4128.7-176-171.20000110.1K540K540-V547 HydrophobicContact CB-CG1 4.4Å; K540-V547 HydrophobicContact CD-CG1 3.5Å; K540-V547 HydrophobicContact CG-CG1 3.89Å
548G89.3Confident89Confident8 Ų852.5 Ų52.58%0.08229%0.288CS..  trans-78174.6176.500000113.9P467 A541P467-G548 WeakPolarHBondContact O-CA 3.33Å; A541-G548 PolarHBondContact O-N 3.06Å
549P91.3Very high88.6Confident75 Ų7551.4 Ų51.449%0.48729%0.289SS..PPolyproline II helixtrans-67.5159.4177.525.4-29.6000112.8P467 A469P467-P549 WeakPolarHBondContact O-CD 3.13Å; A469-P549 WeakPolarHBondContact CA-O 3.17Å; A469-P549 HydrophobicContact CB-CB 4.44Å; A469-P549 HydrophobicContact CB-CG 4.01Å
550Y92.3Very high88.1Confident80 Ų8056.1 Ų56.131%0.31432%0.315SS..PPolyproline II helixtrans-71.8151.1174.3-71.1-82.7000112.4A469 E504 R538 V539 K540A469-Y550 WeakPolarHBondContact CB-O 3.4Å; E504-Y550 HydrophobicContact CG-CE1 4.46Å; E504-Y550 WeakPolarHBondContact OE1-CE1 3.46Å; E504-Y550 PolarHBondContact OE1-OH 3.27Å; E504-Y550 VanDerWaalsContact OE2-CE1 3.3Å; E504-Y550 WeakPolarHBondContact OE2-CE1 3.38Å; E504-Y550 PolarHBondContact OE2-OH 3.17Å; E504-Y550 VanDerWaalsContact OE2-OH 3.05Å; R538-Y550 HydrophobicContact CB-CD1 4.09Å; R538-Y550 HydrophobicContact CG-CD1 3.6Å; R538-Y550 HydrophobicContact CG-CE1 3.91Å; R538-Y550 HydrophobicContact CG-CG 4.37Å; V539-Y550 CarbonylContact O-C 3.51Å; V539-Y550 WeakPolarHBondContact O-CA 3.37Å; K540-Y550 HydrophobicContact CB-CD1 3.97Å; K540-Y550 HydrophobicContact CB-CE1 4.27Å; K540-Y550 HydrophobicContact CB-CG 4.38Å; K540-Y550 HydrophobicContact CD-CD1 4.1Å; K540-Y550 HydrophobicContact CD-CE1 3.55Å; K540-Y550 HydrophobicContact CD-CE2 4.18Å; K540-Y550 HydrophobicContact CG-CD1 4.26Å; K540-Y550 HydrophobicContact CG-CE1 4.05Å; K540-Y550 PolarHBondContact NZ-OH 2.9Å
551S92.6Very high87.8Confident9 Ų956.5 Ų56.56%0.06332%0.319CS..PPolyproline II helixtrans-60.9167.7163.972.90000111.6P470 V539 T553P470-S551 WeakPolarHBondContact O-CB 3.4Å; V539-S551 PolarHBondContact N-OG 2.9Å; V539-S551 WeakPolarHBondContact O-CB 3.37Å; V539-S551 PolarHBondContact O-N 3.44Å; S551-T553 PolarHBondContact O-N 3.38Å
552K84.7Confident87.6Confident194 Ų19456.9 Ų56.984%0.84332%0.322SS*.PPolyproline II helixtrans-56.8140.3160.7-68.6-174.2178.1-1780109.6L472L472-K552 WeakPolarHBondContact CD1-O 3.44Å
553T87.9Confident87.6Confident73 Ų7361.5 Ų61.545%0.44834%0.339SS..PPolyproline II helixtrans-70.9135.8175.2-54.20000110.2N536 A537 S551N536-T553 HydrophobicContact CB-CG2 3.75Å; A537-T553 CarbonylContact O-C 3.35Å; A537-T553 WeakPolarHBondContact O-CA 3.32Å; S551-T553 PolarHBondContact O-N 3.38Å
554V86.1Confident87.8Confident23 Ų2361.3 Ų61.314%0.13934%0.338CS..EExtended strand (participates in β ladder)trans-110143.5170.167.20000109.8L472 L474 L486 N536 A537 L556L472-V554 HydrophobicContact CD1-CB 4.04Å; L472-V554 HydrophobicContact CD1-CG1 3.66Å; L474-V554 HydrophobicContact CD2-CB 4.08Å; L474-V554 HydrophobicContact CD2-CG2 3.46Å; L474-V554 VanDerWaalsContact CD2-CG2 3.46Å; L486-V554 HydrophobicContact CD2-CG1 3.91Å; N536-V554 WeakPolarHBondContact CA-O 3.44Å; A537-V554 HydrophobicContact CB-CG1 3.84Å; A537-V554 PolarHBondContact N-O 3.04Å; A537-V554 PolarHBondContact O-N 3.13Å; V554-L556 HydrophobicContact CG1-CD2 4.36Å; V554-L556 HydrophobicContact CG1-CG 4.36Å
555V86Confident88.3Confident95 Ų9558.9 Ų58.958%0.57631%0.314SS*.EExtended strand (participates in β ladder)trans-97.6124.8172.2-172.70000108.9A534 Y535A534-V555 HydrophobicContact CB-CG1 4.14Å; Y535-V555 CarbonylContact O-C 3.55Å; Y535-V555 WeakPolarHBondContact O-CA 3.47Å
556L83.6Confident88.8Confident11 Ų1155.6 Ų55.66%0.05829%0.294CS..EExtended strand (participates in β ladder)trans-109.5132.8177.4-58.6167.8000108.7T479 A484 L486 L505 A534 Y535 A537 V554T479-L556 HydrophobicContact CG2-CB 3.89Å; T479-L556 HydrophobicContact CG2-CD2 4.26Å; A484-L556 HydrophobicContact CB-CD1 3.88Å; L486-L556 HydrophobicContact CD1-CD1 3.81Å; L486-L556 HydrophobicContact CD2-CD1 4.03Å; L486-L556 HydrophobicContact CG-CD1 4.08Å; L505-L556 HydrophobicContact CD2-CD1 4.25Å; A534-L556 CarbonylContact C-O 3.54Å; A534-L556 VanDerWaalsContact CA-O 3.27Å; A534-L556 WeakPolarHBondContact CA-O 3.25Å; Y535-L556 PolarHBondContact N-O 2.89Å; Y535-L556 PolarHBondContact O-N 2.88Å; A537-L556 HydrophobicContact CB-CD1 3.91Å; V554-L556 HydrophobicContact CG1-CD2 4.36Å; V554-L556 HydrophobicContact CG1-CG 4.36Å
557K84.4Confident89.1Confident111 Ų11155.9 Ų55.948%0.48329%0.29SS..EExtended strand (participates in β ladder)trans-113.4117.2176.1-168.1-178.1175.4-154.60109.9T479 D560T479-K557 WeakPolarHBondContact CB-O 3.35Å; T479-K557 PolarHBondContact OG1-O 3.41Å; K557-D560 WeakPolarHBondContact CE-OD1 3.27Å; K557-D560 IonicContact NZ-OD1 3.95Å; K557-D560 PolarHBondContact NZ-OD1 3.45Å; K557-D560 IonicContact NZ-OD2 2.74Å
558T86Confident89.2Confident2 Ų255.5 Ų55.51%0.01229%0.289CS..  trans-71.4163173.954.80000111.1L529 H530 N532 S533 Y535L529-T558 HydrophobicContact CB-CG2 3.83Å; L529-T558 HydrophobicContact CD1-CG2 3.99Å; H530-T558 WeakPolarHBondContact O-CB 3.41Å; H530-T558 PolarHBondContact O-OG1 3.08Å; N532-T558 PolarHBondContact N-OG1 3.14Å; S533-T558 PolarHBondContact N-OG1 3.06Å; S533-T558 PolarHBondContact O-N 3.41Å; S533-T558 PolarHBondContact O-OG1 3.22Å; S533-T558 VanDerWaalsContact O-OG1 3.14Å; Y535-T558 HydrophobicContact CD2-CG2 4.14Å; Y535-T558 HydrophobicContact CE2-CG2 3.94Å
559S85.4Confident89.2Confident36 Ų3661 Ų6125%0.25232%0.321SS..  trans-58.7140.5-175.2-64.10000112.5N481 N532 V561N481-S559 WeakPolarHBondContact CA-OG 3.18Å; N481-S559 PolarHBondContact N-OG 3.16Å; N481-S559 PolarHBondContact O-N 3.11Å; N481-S559 VanDerWaalsContact O-N 3.13Å; N532-S559 PolarHBondContact N-O 2.83Å; S559-V561 WeakPolarHBondContact CB-O 3.45Å; S559-V561 PolarHBondContact O-N 2.93Å
560D83.3Confident88.8Confident99 Ų9957.8 Ų57.853%0.52930%0.3SS..SBendtrans-67.9-23.1-179.9-65.7-20.1000112.5N532 K557N532-D560 PolarHBondContact OD1-OD1 3.44Å; K557-D560 WeakPolarHBondContact CE-OD1 3.27Å; K557-D560 IonicContact NZ-OD1 3.95Å; K557-D560 PolarHBondContact NZ-OD1 3.45Å; K557-D560 IonicContact NZ-OD2 2.74Å
561V87.9Confident88.6Confident34 Ų3455.2 Ų55.221%0.20630%0.295CS..SBendtrans-125.1152.3178.4-63.90000110.5S559 L723S559-V561 WeakPolarHBondContact CB-O 3.45Å; S559-V561 PolarHBondContact O-N 2.93Å; V561-L723 WeakPolarHBondContact CG1-O 3.2Å
562A88.9Confident88.5Confident9 Ų956.5 Ų56.57%0.07430%0.3CS..  trans-92.2120.6179.900000111.6F531 F564 F600 G722F531-A562 HydrophobicContact CD1-CB 3.98Å; F531-A562 HydrophobicContact CD2-CB 4.08Å; F531-A562 HydrophobicContact CE1-CB 3.8Å; F531-A562 HydrophobicContact CE2-CB 3.9Å; F531-A562 HydrophobicContact CG-CB 4.12Å; F531-A562 HydrophobicContact CZ-CB 3.74Å; A562-F564 HydrophobicContact CB-CD1 4.26Å; A562-F600 HydrophobicContact CB-CE1 3.51Å; A562-F600 HydrophobicContact CB-CZ 3.65Å; A562-G722 PolarHBondContact O-N 2.88Å
563W90.7Very high88.7Confident154 Ų15458 Ų5858%0.58330%0.301SS*.  trans-99124.7169.6-69.477.6000109.5N481N481-W563 PolarHBondContact ND2-O 2.87Å; N481-W563 WeakPolarHBondContact OD1-CB 3.43Å; N481-W563 PolarHBondContact OD1-N 3.25Å; N481-W563 PolarHBondContact OD1-O 2.9Å
564F93.8Very high89Confident10 Ų1055.7 Ų55.74%0.04429%0.286CS..  trans-155166.2178.464.1-88.1000111.2A562 T597 A598 F600 W607 P707 L719 T721A562-F564 HydrophobicContact CB-CD1 4.26Å; F564-T597 WeakPolarHBondContact CB-OG1 3.45Å; F564-A598 HydrophobicContact CB-CB 3.55Å; F564-A598 HydrophobicContact CD1-CB 3.9Å; F564-A598 HydrophobicContact CG-CB 3.78Å; F564-F600 HydrophobicContact CD1-CZ 4.17Å; F564-F600 HydrophobicContact CE1-CE2 4.34Å; F564-F600 AromaticContact CE1-CZ 3.99Å; F564-F600 HydrophobicContact CE1-CZ 3.99Å; F564-W607 HydrophobicContact CE1-CB 4.18Å; F564-W607 HydrophobicContact CE1-CD2 4.39Å; F564-W607 HydrophobicContact CE1-CE3 4.44Å; F564-W607 HydrophobicContact CE1-CG 4.31Å; F564-W607 HydrophobicContact CZ-CB 3.82Å; F564-W607 AromaticContact CZ-CD1 3.99Å; F564-W607 AromaticContact CZ-CD2 3.76Å; F564-W607 HydrophobicContact CZ-CD2 3.76Å; F564-W607 HydrophobicContact CZ-CE3 4.21Å; F564-W607 AromaticContact CZ-CG 3.59Å; F564-W607 HydrophobicContact CZ-CG 3.59Å; F564-P707 HydrophobicContact CD2-CB 4.48Å; F564-P707 HydrophobicContact CD2-CG 4.11Å; F564-P707 HydrophobicContact CE1-CG 4.14Å; F564-P707 HydrophobicContact CE2-CB 3.59Å; F564-P707 HydrophobicContact CE2-CG 3.4Å; F564-P707 VanDerWaalsContact CE2-CG 3.4Å; F564-P707 HydrophobicContact CZ-CB 3.92Å; F564-P707 HydrophobicContact CZ-CG 3.43Å; F564-P707 VanDerWaalsContact CZ-CG 3.43Å; F564-L719 HydrophobicContact CD2-CD2 3.72Å; F564-L719 HydrophobicContact CE2-CD1 3.94Å; F564-L719 HydrophobicContact CE2-CD2 3.55Å; F564-L719 HydrophobicContact CE2-CG 4.25Å; F564-L719 HydrophobicContact CZ-CD1 4.32Å; F564-T721 HydrophobicContact CD1-CG2 3.64Å; F564-T721 HydrophobicContact CD2-CG2 3.85Å; F564-T721 HydrophobicContact CE1-CG2 3.48Å; F564-T721 VanDerWaalsContact CE1-CG2 3.48Å; F564-T721 HydrophobicContact CE2-CG2 3.69Å; F564-T721 HydrophobicContact CG-CG2 3.81Å; F564-T721 HydrophobicContact CZ-CG2 3.5Å; F564-T721 VanDerWaalsContact CZ-CG2 3.5Å; F564-T721 PolarHBondContact N-OG1 2.91Å; F564-T721 WeakPolarHBondContact O-CG2 3.45Å; F564-T721 PolarHBondContact O-OG1 3.35Å; F564-T721 VanDerWaalsContact O-OG1 3.13Å
565T96.1Very high89.5Confident39 Ų3955.3 Ų55.324%0.23928%0.282CS..  trans-129.1174.8179.854.50000109.2Q582 G596 T597T565-Q582 HydrophobicContact CG2-CG 4.01Å; T565-G596 CarbonylContact O-C 3.52Å; T565-G596 VanDerWaalsContact O-CA 3.27Å; T565-G596 WeakPolarHBondContact O-CA 3.21Å; T565-T597 PolarHBondContact N-OG1 2.87Å; T565-T597 VanDerWaalsContact N-OG1 3.12Å; T565-T597 PolarHBondContact O-N 3.47Å; T565-T597 PolarHBondContact O-OG1 3.49Å
566F96.8Very high89.9Confident4 Ų454.4 Ų54.42%0.01828%0.277CS..BIsolated β-bridgetrans-66.5137.5166.3-66.3-63.8000109.9P568 L577 N581 Q582 A584 V594 L595 V709 V717 L719F566-P568 VanDerWaalsContact O-CD 3.23Å; F566-P568 WeakPolarHBondContact O-CD 3.37Å; F566-L577 HydrophobicContact CB-CD1 3.91Å; F566-L577 HydrophobicContact CB-CD2 3.72Å; F566-L577 HydrophobicContact CB-CG 4.48Å; F566-L577 HydrophobicContact CD2-CD2 4.18Å; F566-L577 HydrophobicContact CG-CD2 4.15Å; F566-N581 WeakPolarHBondContact CB-O 3.5Å; F566-N581 WeakPolarHBondContact CD2-O 3.26Å; F566-N581 PolarHBondContact N-O 3.14Å; F566-N581 WeakPolarHBondContact O-CB 3.22Å; F566-Q582 VanDerWaalsContact CE2-O 3.32Å; F566-Q582 WeakPolarHBondContact CE2-O 3.44Å; F566-A584 HydrophobicContact CD2-CB 3.76Å; F566-A584 HydrophobicContact CE2-CB 3.59Å; F566-A584 HydrophobicContact CG-CB 4.36Å; F566-A584 HydrophobicContact CZ-CB 4.08Å; F566-V594 HydrophobicContact CB-CG2 4Å; F566-V594 HydrophobicContact CD1-CG1 3.82Å; F566-V594 HydrophobicContact CD1-CG2 4.07Å; F566-V594 HydrophobicContact CE1-CG1 4.03Å; F566-V594 HydrophobicContact CG-CG1 4.44Å; F566-V594 HydrophobicContact CG-CG2 4.31Å; F566-L595 WeakPolarHBondContact CA-O 3.39Å; F566-V709 HydrophobicContact CE1-CG1 4.34Å; F566-V709 HydrophobicContact CE1-CG2 3.61Å; F566-V709 HydrophobicContact CZ-CG2 3.95Å; F566-V717 HydrophobicContact CZ-CG2 4.24Å; F566-L719 HydrophobicContact CD2-CB 4.36Å; F566-L719 HydrophobicContact CE2-CB 3.69Å; F566-L719 HydrophobicContact CZ-CB 3.85Å; F566-L719 HydrophobicContact CZ-CD2 4.49Å
567D94.9Very high90.5Very high31 Ų3155.5 Ų55.517%0.16628%0.283CS..  trans-84.6109.1-178.8176.36.8000110.3T569 S570 A571 L595 T597D567-T569 VanDerWaalsContact CG-OG1 3.24Å; D567-T569 PolarHBondContact O-N 3.47Å; D567-T569 WeakPolarHBondContact OD1-CA 3.49Å; D567-T569 WeakPolarHBondContact OD1-CB 3.47Å; D567-T569 PolarHBondContact OD1-N 2.84Å; D567-T569 PolarHBondContact OD1-OG1 3.17Å; D567-T569 PolarHBondContact OD2-OG1 2.91Å; D567-T569 VanDerWaalsContact OD2-OG1 3.06Å; D567-S570 WeakPolarHBondContact CB-OG 3.39Å; D567-S570 PolarHBondContact O-N 2.82Å; D567-S570 VanDerWaalsContact O-N 3.11Å; D567-S570 PolarHBondContact O-OG 2.83Å; D567-S570 PolarHBondContact OD1-N 3.46Å; D567-S570 WeakPolarHBondContact OD2-CB 3.35Å; D567-A571 PolarHBondContact O-N 3.14Å; D567-A571 VanDerWaalsContact O-N 3.08Å; D567-L595 PolarHBondContact N-O 2.96Å; D567-T597 HydrophobicContact CB-CG2 3.67Å
568P92.2Very high90.9Very high69 Ų6952.9 Ų52.945%0.44828%0.279SS..THydrogen-bonded Turntrans-65-25.8179.528.3-35.4000112.5F566 S570 A571 L577F566-P568 VanDerWaalsContact O-CD 3.23Å; F566-P568 WeakPolarHBondContact O-CD 3.37Å; P568-S570 VanDerWaalsContact C-N 3.31Å; P568-A571 PolarHBondContact O-N 3.45Å; P568-L577 HydrophobicContact CB-CD1 4.05Å
569T89.1Confident91.2Very high123 Ų12357.2 Ų57.276%0.75530%0.302SS*.THydrogen-bonded Turntrans-74.7-27.3177.475.40000111.6D567D567-T569 VanDerWaalsContact CG-OG1 3.24Å; D567-T569 PolarHBondContact O-N 3.47Å; D567-T569 WeakPolarHBondContact OD1-CA 3.49Å; D567-T569 WeakPolarHBondContact OD1-CB 3.47Å; D567-T569 PolarHBondContact OD1-N 2.84Å; D567-T569 PolarHBondContact OD1-OG1 3.17Å; D567-T569 PolarHBondContact OD2-OG1 2.91Å; D567-T569 VanDerWaalsContact OD2-OG1 3.06Å
570S83.1Confident91.6Very high7 Ų762.7 Ų62.75%0.04932%0.323CS..THydrogen-bonded Turntrans-84.9-21.2174.284.80000113.2D567 P568 L595 K631D567-S570 WeakPolarHBondContact CB-OG 3.39Å; D567-S570 PolarHBondContact O-N 2.82Å; D567-S570 VanDerWaalsContact O-N 3.11Å; D567-S570 PolarHBondContact O-OG 2.83Å; D567-S570 PolarHBondContact OD1-N 3.46Å; D567-S570 WeakPolarHBondContact OD2-CB 3.35Å; P568-S570 VanDerWaalsContact C-N 3.31Å; S570-L595 WeakPolarHBondContact OG-CB 3.28Å; S570-L595 PolarHBondContact OG-N 2.99Å; S570-K631 WeakPolarHBondContact O-CD 3.43Å; S570-K631 WeakPolarHBondContact O-CE 3.4Å; S570-K631 PolarHBondContact O-NZ 3.49Å
571A87.1Confident92.1Very high26 Ų2660.5 Ų60.522%0.21531%0.312CS..SBendtrans-65.2137.8-171.600000112.5D567 P568 I575 L577 V594D567-A571 PolarHBondContact O-N 3.14Å; D567-A571 VanDerWaalsContact O-N 3.08Å; P568-A571 PolarHBondContact O-N 3.45Å; A571-I575 HydrophobicContact CB-CB 4.23Å; A571-I575 HydrophobicContact CB-CG2 4.12Å; A571-L577 HydrophobicContact CB-CD1 4.32Å; A571-V594 HydrophobicContact CB-CG2 4.01Å
572H90.1Very high92.5Very high36 Ų3662 Ų6217%0.16732%0.316CS..  trans-65.1151168.8-172.8-93.7000110.2D574 I575 R592H572-D574 VanDerWaalsContact CE1-CG 3.5Å; H572-D574 IonicContact CE1-OD1 3.1Å; H572-D574 IonicContact CE1-OD2 3.31Å; H572-D574 PolarHBondContact CE1-OD2 2.84Å; H572-D574 PolarHBondContact ND1-N 3.23Å; H572-D574 IonicContact ND1-OD2 3.01Å; H572-D574 PolarHBondContact ND1-OD2 2.93Å; H572-D574 PolarHBondContact O-N 3.46Å; H572-I575 HydrophobicContact CB-CG1 4.25Å; H572-I575 WeakPolarHBondContact O-CB 3.3Å; H572-I575 PolarHBondContact O-N 3.05Å; H572-R592 HydrophobicContact CB-CB 4.26Å; H572-R592 PolarHBondContact CE1-NE 3.35Å
573R89.4Confident92.9Very high226 Ų22662 Ų6285%0.85332%0.315SS*.THydrogen-bonded Turntrans-55.5-28.6-178.3-169.3-176.969.4-178.9-1114I575R573-I575 VanDerWaalsContact C-N 3.35Å
574D93.7Very high93.2Very high25 Ų2554.6 Ų54.613%0.13429%0.287CS..THydrogen-bonded Turntrans-81.5-14.7179.8-56.4-22.8000112.9H572 C586 S587 R592H572-D574 VanDerWaalsContact CE1-CG 3.5Å; H572-D574 IonicContact CE1-OD1 3.1Å; H572-D574 IonicContact CE1-OD2 3.31Å; H572-D574 PolarHBondContact CE1-OD2 2.84Å; H572-D574 PolarHBondContact ND1-N 3.23Å; H572-D574 IonicContact ND1-OD2 3.01Å; H572-D574 PolarHBondContact ND1-OD2 2.93Å; H572-D574 PolarHBondContact O-N 3.46Å; D574-C586 CarbonylContact O-C 3.55Å; D574-C586 WeakPolarHBondContact O-CA 3.15Å; D574-S587 VanDerWaalsContact CA-OG 3.27Å; D574-S587 WeakPolarHBondContact CA-OG 3.36Å; D574-S587 WeakPolarHBondContact CB-OG 3.4Å; D574-S587 PolarHBondContact O-N 3.5Å; D574-S587 PolarHBondContact O-OG 3.05Å; D574-R592 HydrophobicContact CB-CG 4.19Å; D574-R592 IonicContact OD2-CZ 3.51Å; D574-R592 IonicContact OD2-NE 3.93Å; D574-R592 PolarHBondContact OD2-NE 2.97Å; D574-R592 IonicContact OD2-NH2 3.62Å; D574-R592 PolarHBondContact OD2-NH2 3.24Å
575I96.1Very high93.3Very high14 Ų1455.2 Ų55.27%0.07229%0.292CS..EExtended strand (participates in β ladder)trans-78.5130.3173.3-65.9-68.8000108.4A571 H572 R573 L577 T585 C586 R592 V594A571-I575 HydrophobicContact CB-CB 4.23Å; A571-I575 HydrophobicContact CB-CG2 4.12Å; H572-I575 HydrophobicContact CB-CG1 4.25Å; H572-I575 WeakPolarHBondContact O-CB 3.3Å; H572-I575 PolarHBondContact O-N 3.05Å; R573-I575 VanDerWaalsContact C-N 3.35Å; I575-L577 HydrophobicContact CG2-CD2 3.7Å; I575-L577 HydrophobicContact CG2-CG 4.11Å; I575-T585 WeakPolarHBondContact CA-O 3.42Å; I575-C586 HydrophobicContact CD1-CB 4Å; I575-R592 HydrophobicContact CD1-CB 3.76Å; I575-R592 HydrophobicContact CG1-CB 3.86Å; I575-V594 HydrophobicContact CG1-CB 4.35Å; I575-V594 HydrophobicContact CG2-CB 4.17Å; I575-V594 HydrophobicContact CG2-CG1 4.45Å; I575-V594 HydrophobicContact CG2-CG2 4.28Å
576V95.2Very high93.2Very high76 Ų7653.6 Ų53.646%0.46128%0.282SS..EExtended strand (participates in β ladder)trans-113.4121.1175.3-177.10000107.6T585V576-T585 HydrophobicContact CB-CG2 3.74Å; V576-T585 HydrophobicContact CG1-CG2 4.36Å; V576-T585 PolarHBondContact N-O 3.48Å; V576-T585 PolarHBondContact O-N 2.82Å
577L96.3Very high93.1Very high34 Ų3456.7 Ų56.718%0.17830%0.304CS..EExtended strand (participates in β ladder)trans-101140.1177.3-59.3-178.3000109.9F566 P568 A571 I575 N581 T583 A584 V594F566-L577 HydrophobicContact CB-CD1 3.91Å; F566-L577 HydrophobicContact CB-CD2 3.72Å; F566-L577 HydrophobicContact CB-CG 4.48Å; F566-L577 HydrophobicContact CD2-CD2 4.18Å; F566-L577 HydrophobicContact CG-CD2 4.15Å; P568-L577 HydrophobicContact CB-CD1 4.05Å; A571-L577 HydrophobicContact CB-CD1 4.32Å; I575-L577 HydrophobicContact CG2-CD2 3.7Å; I575-L577 HydrophobicContact CG2-CG 4.11Å; L577-N581 HydrophobicContact CB-CB 4.47Å; L577-N581 HydrophobicContact CD1-CB 4.24Å; L577-T583 WeakPolarHBondContact CA-O 3.41Å; L577-A584 HydrophobicContact CD2-CB 3.73Å; L577-V594 HydrophobicContact CD2-CG2 4.41Å
578S93.4Very high93Very high57 Ų5756.1 Ų56.140%0.39930%0.303SS..EExtended strand (participates in β ladder)trans-143.7179.3176.267.60000110.1E580 N581 Q582 T583S578-E580 PolarHBondContact O-N 3.36Å; S578-N581 PolarHBondContact O-N 2.91Å; S578-N581 VanDerWaalsContact O-N 3.15Å; S578-Q582 PolarHBondContact O-N 3.11Å; S578-T583 PolarHBondContact N-O 3.45Å; S578-T583 PolarHBondContact O-N 2.87Å
579N92.4Very high92.9Very high93 Ų9360.3 Ų60.350%0.49731%0.311SS..THydrogen-bonded Turntrans52.956.9-179.2-170.540.5000111.7N581 Q582 T583N579-N581 VanDerWaalsContact C-N 3.26Å; N579-N581 PolarHBondContact O-N 3.27Å; N579-Q582 VanDerWaalsContact O-CB 3.25Å; N579-Q582 WeakPolarHBondContact O-CB 3.36Å; N579-Q582 WeakPolarHBondContact O-CG 3.49Å; N579-Q582 PolarHBondContact O-N 3.47Å; N579-T583 WeakPolarHBondContact CB-OG1 3.46Å
580E92.2Very high93.1Very high150 Ų15059.1 Ų59.170%0.70130%0.3SS*.THydrogen-bonded Turntrans55.238.7-177.5-54.9-175.7167.600113.7S578 Q582S578-E580 PolarHBondContact O-N 3.36Å; E580-Q582 PolarHBondContact O-N 3.21Å
581N95.4Very high93.6Very high54 Ų5460.2 Ų60.229%0.28931%0.305SS..THydrogen-bonded Turntrans63.420.2-176-51.3-38.2000114.7F566 L577 S578 N579F566-N581 WeakPolarHBondContact CB-O 3.5Å; F566-N581 WeakPolarHBondContact CD2-O 3.26Å; F566-N581 PolarHBondContact N-O 3.14Å; F566-N581 WeakPolarHBondContact O-CB 3.22Å; L577-N581 HydrophobicContact CB-CB 4.47Å; L577-N581 HydrophobicContact CD1-CB 4.24Å; S578-N581 PolarHBondContact O-N 2.91Å; S578-N581 VanDerWaalsContact O-N 3.15Å; N579-N581 VanDerWaalsContact C-N 3.26Å; N579-N581 PolarHBondContact O-N 3.27Å
582Q95.8Very high94.1Very high65 Ų6560.5 Ų60.530%0.30430%0.301SS..THydrogen-bonded Turntrans-89.2-24173.5-61.717611.900112.3T565 F566 S578 N579 E580 T718 L719T565-Q582 HydrophobicContact CG2-CG 4.01Å; F566-Q582 VanDerWaalsContact CE2-O 3.32Å; F566-Q582 WeakPolarHBondContact CE2-O 3.44Å; S578-Q582 PolarHBondContact O-N 3.11Å; N579-Q582 VanDerWaalsContact O-CB 3.25Å; N579-Q582 WeakPolarHBondContact O-CB 3.36Å; N579-Q582 WeakPolarHBondContact O-CG 3.49Å; N579-Q582 PolarHBondContact O-N 3.47Å; E580-Q582 PolarHBondContact O-N 3.21Å; Q582-T718 WeakPolarHBondContact O-CA 3.43Å; Q582-L719 WeakPolarHBondContact O-CB 3.49Å; Q582-L719 PolarHBondContact O-N 2.95Å
583T96.8Very high94.3Very high8 Ų858.9 Ų58.95%0.04929%0.293CS..EExtended strand (participates in β ladder)trans-107.7130.7180-57.30000110L577 S578 N579 Q716 V717 T718L577-T583 WeakPolarHBondContact CA-O 3.41Å; S578-T583 PolarHBondContact N-O 3.45Å; S578-T583 PolarHBondContact O-N 2.87Å; N579-T583 WeakPolarHBondContact CB-OG1 3.46Å; T583-Q716 HydrophobicContact CG2-CG 3.71Å; T583-V717 CarbonylContact C-O 3.59Å; T583-V717 WeakPolarHBondContact CA-O 3.41Å; T583-T718 PolarHBondContact OG1-OG1 3.45Å
584A97Very high94.7Very high0 Ų048.1 Ų48.10%025%0.252CS..EExtended strand (participates in β ladder)trans-119.7133.9177.600000111.2F566 L577 V594 L711 Q716 V717F566-A584 HydrophobicContact CD2-CB 3.76Å; F566-A584 HydrophobicContact CE2-CB 3.59Å; F566-A584 HydrophobicContact CG-CB 4.36Å; F566-A584 HydrophobicContact CZ-CB 4.08Å; L577-A584 HydrophobicContact CD2-CB 3.73Å; A584-V594 HydrophobicContact CB-CG1 4.33Å; A584-L711 HydrophobicContact CB-CD1 3.81Å; A584-Q716 WeakPolarHBondContact O-CA 3.38Å; A584-V717 HydrophobicContact CB-CG2 4.35Å; A584-V717 PolarHBondContact N-O 2.79Å; A584-V717 PolarHBondContact O-N 3.34Å
585T95.5Very high94.9Very high22 Ų2247 Ų4714%0.13525%0.247CC..EExtended strand (participates in β ladder)trans-131.7163.3166.7-173.60000108.7I575 V576 R613I575-T585 WeakPolarHBondContact CA-O 3.42Å; V576-T585 HydrophobicContact CB-CG2 3.74Å; V576-T585 HydrophobicContact CG1-CG2 4.36Å; V576-T585 PolarHBondContact N-O 3.48Å; V576-T585 PolarHBondContact O-N 2.82Å; T585-R613 PolarHBondContact OG1-NH2 3.35Å
586C95.6Very high94.8Very high5 Ų546.6 Ų46.63%0.03425%0.246CC..EExtended strand (participates in β ladder)trans-114.8156172.6-171.50000110.2D574 I575 S588 L711 R713D574-C586 CarbonylContact O-C 3.55Å; D574-C586 WeakPolarHBondContact O-CA 3.15Å; I575-C586 HydrophobicContact CD1-CB 4Å; C586-S588 PolarHBondContact SG-N 3.36Å; C586-S588 VanDerWaalsContact SG-N 3.36Å; C586-L711 HydrophobicContact CB-CB 4.37Å; C586-L711 WeakPolarHBondContact CB-O 3.48Å; C586-R713 WeakPolarHBondContact O-CA 3.36Å
587S93.7Very high94.7Very high69 Ų6946.4 Ų46.448%0.48325%0.245SC..SBendtrans-102.3-18.9172.2520000112.4D574D574-S587 VanDerWaalsContact CA-OG 3.27Å; D574-S587 WeakPolarHBondContact CA-OG 3.36Å; D574-S587 WeakPolarHBondContact CB-OG 3.4Å; D574-S587 PolarHBondContact O-N 3.5Å; D574-S587 PolarHBondContact O-OG 3.05Å
588S93.3Very high94.6Very high20 Ų2044.9 Ų44.914%0.1424%0.237CC..SBendtrans-82153.6178.4-170.90000112.5C586 D590 R713C586-S588 PolarHBondContact SG-N 3.36Å; C586-S588 VanDerWaalsContact SG-N 3.36Å; S588-D590 VanDerWaalsContact C-N 3.32Å; S588-D590 PolarHBondContact OG-N 2.9Å; S588-D590 VanDerWaalsContact OG-N 3.08Å; S588-R713 VanDerWaalsContact O-CB 3.29Å; S588-R713 WeakPolarHBondContact O-CB 3.4Å; S588-R713 WeakPolarHBondContact O-CG 3.45Å; S588-R713 PolarHBondContact O-N 3.29Å
589Y90.8Very high94.5Very high156 Ų15644.6 Ų44.661%0.61224%0.238SC*.SBendtrans-75.4-25.1165.7-75.9-83000112.5N712 R713Y589-N712 WeakPolarHBondContact O-CB 3.42Å; Y589-R713 HydrophobicContact CD1-CG 4.13Å; Y589-R713 HydrophobicContact CE1-CG 4.43Å; Y589-R713 VanDerWaalsContact CE1-CZ 3.5Å; Y589-R713 VanDerWaalsContact CE2-NH1 3.26Å; Y589-R713 HydrophobicContact CG-CG 4.45Å; Y589-R713 PolarHBondContact OH-NH1 3.19Å; Y589-R713 PolarHBondContact OH-NH2 2.84Å
590D93.1Very high94.5Very high99 Ų9940.2 Ų40.253%0.52922%0.215SC..SBendtrans-81.1151.2174.9-58.4-49.3000110.8S588S588-D590 VanDerWaalsContact C-N 3.32Å; S588-D590 PolarHBondContact OG-N 2.9Å; S588-D590 VanDerWaalsContact OG-N 3.08Å
591D93.9Very high94.4Very high29 Ų2935.4 Ų35.416%0.15520%0.198CC..  trans-69.4133175.3-59.8-61.2000111.3M634D591-M634 HydrophobicContact CB-CB 4.05Å; D591-M634 VanDerWaalsContact OD2-CE 3.26Å; D591-M634 WeakPolarHBondContact OD2-CE 3.43Å
592R96.4Very high94.1Very high33 Ų3335.2 Ų35.213%0.12519%0.194CC..EExtended strand (participates in β ladder)trans-123.7133.3177-60.4-61.2-170.6-147.63.8110H572 D574 I575 K631 E632 S710 L711H572-R592 HydrophobicContact CB-CB 4.26Å; H572-R592 PolarHBondContact CE1-NE 3.35Å; D574-R592 HydrophobicContact CB-CG 4.19Å; D574-R592 IonicContact OD2-CZ 3.51Å; D574-R592 IonicContact OD2-NE 3.93Å; D574-R592 PolarHBondContact OD2-NE 2.97Å; D574-R592 IonicContact OD2-NH2 3.62Å; D574-R592 PolarHBondContact OD2-NH2 3.24Å; I575-R592 HydrophobicContact CD1-CB 3.76Å; I575-R592 HydrophobicContact CG1-CB 3.86Å; R592-K631 WeakPolarHBondContact CA-O 3.33Å; R592-E632 PolarHBondContact NH1-O 3.38Å; R592-E632 VanDerWaalsContact NH1-O 3.14Å; R592-S710 VanDerWaalsContact O-CA 3.24Å; R592-S710 WeakPolarHBondContact O-CA 3.1Å; R592-L711 PolarHBondContact N-O 3.11Å; R592-L711 PolarHBondContact O-N 3.19Å
593V95.8Very high93.8Very high1 Ų133.3 Ų33.31%0.00619%0.192CC..EExtended strand (participates in β ladder)trans-83.6139.4177.4-179.90000110.3L595 T629 K631 M633 L635 A708 V709V593-L595 HydrophobicContact CG1-CD2 3.72Å; V593-T629 HydrophobicContact CG1-CG2 4.26Å; V593-K631 PolarHBondContact N-O 3.45Å; V593-K631 VanDerWaalsContact N-O 3.08Å; V593-M633 VanDerWaalsContact CG2-O 3.28Å; V593-M633 WeakPolarHBondContact CG2-O 3.38Å; V593-L635 HydrophobicContact CG1-CD1 3.86Å; V593-L635 HydrophobicContact CG2-CB 4.24Å; V593-L635 HydrophobicContact CG2-CD1 4.03Å; V593-A708 HydrophobicContact CG1-CB 4.41Å; V593-V709 CarbonylContact C-O 3.53Å; V593-V709 VanDerWaalsContact CA-O 3.3Å; V593-V709 WeakPolarHBondContact CA-O 3.45Å
594V96.8Very high93.5Very high0 Ų035.4 Ų35.40%021%0.205CC..EExtended strand (participates in β ladder)trans-128.5141.7163.7610000109.6F566 A571 I575 L577 A584 A708 V709F566-V594 HydrophobicContact CB-CG2 4Å; F566-V594 HydrophobicContact CD1-CG1 3.82Å; F566-V594 HydrophobicContact CD1-CG2 4.07Å; F566-V594 HydrophobicContact CE1-CG1 4.03Å; F566-V594 HydrophobicContact CG-CG1 4.44Å; F566-V594 HydrophobicContact CG-CG2 4.31Å; A571-V594 HydrophobicContact CB-CG2 4.01Å; I575-V594 HydrophobicContact CG1-CB 4.35Å; I575-V594 HydrophobicContact CG2-CB 4.17Å; I575-V594 HydrophobicContact CG2-CG1 4.45Å; I575-V594 HydrophobicContact CG2-CG2 4.28Å; L577-V594 HydrophobicContact CD2-CG2 4.41Å; A584-V594 HydrophobicContact CB-CG1 4.33Å; V594-A708 WeakPolarHBondContact O-CA 3.44Å; V594-V709 HydrophobicContact CG1-CG2 3.45Å; V594-V709 VanDerWaalsContact CG1-CG2 3.45Å; V594-V709 PolarHBondContact N-O 3.47Å; V594-V709 PolarHBondContact O-N 2.86Å
595L97.4Very high93.4Very high3 Ų336.1 Ų36.12%0.01621%0.208CC..EExtended strand (participates in β ladder)trans-104.9159.5-177.2-50.6177.9000110.7F566 D567 S570 V593 A625 T629 V706 P707 A708F566-L595 WeakPolarHBondContact CA-O 3.39Å; D567-L595 PolarHBondContact N-O 2.96Å; S570-L595 WeakPolarHBondContact OG-CB 3.28Å; S570-L595 PolarHBondContact OG-N 2.99Å; V593-L595 HydrophobicContact CG1-CD2 3.72Å; L595-A625 HydrophobicContact CD2-CB 4.12Å; L595-T629 HydrophobicContact CD1-CG2 4.28Å; L595-T629 HydrophobicContact CD2-CG2 3.81Å; L595-V706 HydrophobicContact CB-CG2 4.09Å; L595-V706 HydrophobicContact CD1-CG2 4Å; L595-V706 HydrophobicContact CD2-CG2 4Å; L595-V706 HydrophobicContact CG-CG2 4.24Å; L595-P707 CarbonylContact C-O 3.6Å; L595-P707 VanDerWaalsContact CA-O 3.32Å; L595-P707 WeakPolarHBondContact CA-O 3.49Å; L595-A708 HydrophobicContact CD2-CB 3.57Å
596G95.5Very high93.4Very high5 Ų535.9 Ų35.95%0.05221%0.205CC..BIsolated β-bridgetrans-82159.817000000112.6T565 A598 P707T565-G596 CarbonylContact O-C 3.52Å; T565-G596 VanDerWaalsContact O-CA 3.27Å; T565-G596 WeakPolarHBondContact O-CA 3.21Å; G596-A598 VanDerWaalsContact C-N 3.32Å; G596-P707 PolarHBondContact N-O 3.1Å
597T93.1Very high93.5Very high72 Ų7235.8 Ų35.844%0.44220%0.204SC..SBendtrans-75.7-16.5177.149.60000114F564 T565 D567F564-T597 WeakPolarHBondContact CB-OG1 3.45Å; T565-T597 PolarHBondContact N-OG1 2.87Å; T565-T597 VanDerWaalsContact N-OG1 3.12Å; T565-T597 PolarHBondContact O-N 3.47Å; T565-T597 PolarHBondContact O-OG1 3.49Å; D567-T597 HydrophobicContact CB-CG2 3.67Å
598A92.2Very high93.7Very high2 Ų233.3 Ų33.32%0.01719%0.185CC..  trans-95.7141.7177.900000112.7F531 F564 G596 F600 P707F531-A598 HydrophobicContact CE2-CB 4.36Å; F531-A598 HydrophobicContact CZ-CB 4.35Å; F564-A598 HydrophobicContact CB-CB 3.55Å; F564-A598 HydrophobicContact CD1-CB 3.9Å; F564-A598 HydrophobicContact CG-CB 3.78Å; G596-A598 VanDerWaalsContact C-N 3.32Å; A598-F600 HydrophobicContact CB-CE1 4.31Å; A598-F600 HydrophobicContact CB-CE2 4.32Å; A598-F600 HydrophobicContact CB-CZ 3.88Å; A598-P707 WeakPolarHBondContact O-CD 3.47Å
599A91.8Very high93.9Very high50 Ų5032.4 Ų32.441%0.41318%0.178SC..  trans-117.5134.8173.600000110.4V704 V706A599-V704 HydrophobicContact CB-CG1 3.74Å; A599-V706 HydrophobicContact CB-CG1 3.89Å
600F93.1Very high94.3Very high2 Ų226.3 Ų26.31%0.00916%0.157CC..BIsolated β-bridgetrans-117.4124.2-175-56.9-65.9000110.6F531 A562 F564 A598 H605 W607 L677 L679 V704 F705 P707F531-F600 AromaticContact CD2-CD1 3.93Å; F531-F600 HydrophobicContact CD2-CD1 3.93Å; F531-F600 AromaticContact CD2-CE1 3.65Å; F531-F600 HydrophobicContact CD2-CE1 3.65Å; F531-F600 AromaticContact CE2-CD1 4Å; F531-F600 HydrophobicContact CE2-CD1 4Å; F531-F600 AromaticContact CE2-CE1 3.5Å; F531-F600 HydrophobicContact CE2-CE1 3.5Å; F531-F600 VanDerWaalsContact CE2-CE1 3.5Å; F531-F600 HydrophobicContact CE2-CZ 4.45Å; F531-F600 HydrophobicContact CZ-CE1 4.43Å; A562-F600 HydrophobicContact CB-CE1 3.51Å; A562-F600 HydrophobicContact CB-CZ 3.65Å; F564-F600 HydrophobicContact CD1-CZ 4.17Å; F564-F600 HydrophobicContact CE1-CE2 4.34Å; F564-F600 AromaticContact CE1-CZ 3.99Å; F564-F600 HydrophobicContact CE1-CZ 3.99Å; A598-F600 HydrophobicContact CB-CE1 4.31Å; A598-F600 HydrophobicContact CB-CE2 4.32Å; A598-F600 HydrophobicContact CB-CZ 3.88Å; F600-H605 HydrophobicContact CD1-CB 4.28Å; F600-H605 AromaticContact CD1-CD2 3.36Å; F600-H605 WeakPolarHBondContact CD1-CD2 3.37Å; F600-H605 AromaticContact CD1-CE1 3.63Å; F600-H605 AromaticContact CD1-CG 3.45Å; F600-H605 VanDerWaalsContact CD1-CG 3.45Å; F600-H605 AromaticContact CD1-ND1 3.63Å; F600-H605 AromaticContact CD1-NE2 3.45Å; F600-H605 WeakPolarHBondContact CD1-NE2 3.4Å; F600-H605 HydrophobicContact CE1-CB 4.14Å; F600-H605 AromaticContact CE1-CD2 3.99Å; F600-H605 AromaticContact CE1-CE1 3.9Å; F600-H605 AromaticContact CE1-CG 3.57Å; F600-H605 AromaticContact CE1-ND1 3.52Å; F600-H605 AromaticContact CG-CD2 3.67Å; F600-H605 AromaticContact CG-CG 3.98Å; F600-H605 HydrophobicContact CZ-CB 4.28Å; F600-W607 HydrophobicContact CD2-CZ3 4.43Å; F600-W607 HydrophobicContact CE2-CE3 4.47Å; F600-W607 HydrophobicContact CE2-CZ3 4.01Å; F600-L677 HydrophobicContact CB-CD2 3.87Å; F600-L677 HydrophobicContact CD2-CD2 4.14Å; F600-L677 HydrophobicContact CG-CD2 4.33Å; F600-L679 VanDerWaalsContact C-CD1 3.48Å; F600-L679 HydrophobicContact CB-CD1 3.82Å; F600-L679 WeakPolarHBondContact O-CD1 3.49Å; F600-V704 CarbonylContact O-C 3.48Å; F600-V704 WeakPolarHBondContact O-CA 3.32Å; F600-F705 PolarHBondContact N-O 3.11Å; F600-F705 PolarHBondContact O-N 2.84Å; F600-P707 HydrophobicContact CD2-CG 4.33Å; F600-P707 HydrophobicContact CE2-CG 3.61Å
601S90.4Very high94.5Very high49 Ų4921.6 Ų21.634%0.34313%0.132SC..SBendtrans-121.9-14.9178.154.90000113.1H530 L679H530-S601 PolarHBondContact CD2-OG 3.12Å; H530-S601 PolarHBondContact NE2-OG 3.34Å; S601-L679 VanDerWaalsContact C-CD1 3.4Å
602K87.9Confident94.6Very high49 Ų4922.3 Ų22.321%0.21314%0.136CC..SBendtrans-153.2164.8177.374.8178.7-155.8-171.20111.7H530 S533 H605H530-K602 HydrophobicContact CB-CD 3.89Å; H530-K602 HydrophobicContact CB-CG 3.94Å; H530-K602 WeakPolarHBondContact ND1-CD 3.42Å; H530-K602 VanDerWaalsContact ND1-CE 3.34Å; H530-K602 WeakPolarHBondContact ND1-CE 3.41Å; H530-K602 PolarHBondContact ND1-NZ 3.04Å; S533-K602 WeakPolarHBondContact OG-CE 3.5Å; S533-K602 PolarHBondContact OG-NZ 3.48Å; K602-H605 PolarHBondContact O-NE2 2.89Å
603G89.1Confident94.6Very high26 Ų2624.1 Ų24.127%0.26814%0.143SC..SBendtrans83.8-171175.500000113.9L679G603-L679 WeakPolarHBondContact O-CB 3.17Å; G603-L679 PolarHBondContact O-N 3.04Å
604T92.3Very high94.6Very high51 Ų5125.3 Ų25.331%0.31315%0.148SC..EExtended strand (participates in β ladder)trans-121.1123.3-178-50.40000109L676 L677 D678 V725T604-L676 HydrophobicContact CG2-CD1 3.8Å; T604-L677 WeakPolarHBondContact CA-O 3.45Å; T604-D678 HydrophobicContact CG2-CB 3.97Å; T604-D678 PolarHBondContact OG1-OD1 2.94Å; T604-D678 VanDerWaalsContact OG1-OD1 3.07Å; T604-V725 HydrophobicContact CG2-CG1 4.11Å; T604-V725 HydrophobicContact CG2-CG2 3.88Å
605H94Very high94.4Very high15 Ų1529 Ų297%0.06917%0.167CC..EExtended strand (participates in β ladder)trans-128.2139.1-171.6-56.1-70.4000110.7F600 K602 W607 L677F600-H605 HydrophobicContact CD1-CB 4.28Å; F600-H605 AromaticContact CD1-CD2 3.36Å; F600-H605 WeakPolarHBondContact CD1-CD2 3.37Å; F600-H605 AromaticContact CD1-CE1 3.63Å; F600-H605 AromaticContact CD1-CG 3.45Å; F600-H605 VanDerWaalsContact CD1-CG 3.45Å; F600-H605 AromaticContact CD1-ND1 3.63Å; F600-H605 AromaticContact CD1-NE2 3.45Å; F600-H605 WeakPolarHBondContact CD1-NE2 3.4Å; F600-H605 HydrophobicContact CE1-CB 4.14Å; F600-H605 AromaticContact CE1-CD2 3.99Å; F600-H605 AromaticContact CE1-CE1 3.9Å; F600-H605 AromaticContact CE1-CG 3.57Å; F600-H605 AromaticContact CE1-ND1 3.52Å; F600-H605 AromaticContact CG-CD2 3.67Å; F600-H605 AromaticContact CG-CG 3.98Å; F600-H605 HydrophobicContact CZ-CB 4.28Å; K602-H605 PolarHBondContact O-NE2 2.89Å; H605-W607 HydrophobicContact CB-CZ3 4.24Å; H605-L677 PolarHBondContact N-O 3.49Å; H605-L677 PolarHBondContact O-N 3.37Å
606Y95.6Very high94Very high17 Ų1735 Ų357%0.06720%0.199CC..EExtended strand (participates in β ladder)trans-133.8135.6178.6-177.2-107.9000110.8E608 I675 L676 F687 L723 E724 P726Y606-E608 HydrophobicContact CE1-CG 3.69Å; Y606-E608 WeakPolarHBondContact CE1-OE1 3.49Å; Y606-E608 WeakPolarHBondContact OH-CG 3.46Å; Y606-E608 PolarHBondContact OH-OE1 3.34Å; Y606-I675 WeakPolarHBondContact CA-O 3.34Å; Y606-I675 VanDerWaalsContact CD2-O 3.28Å; Y606-I675 WeakPolarHBondContact CD2-O 3.41Å; Y606-L676 HydrophobicContact CD2-CB 3.96Å; Y606-L676 HydrophobicContact CD2-CD1 4.3Å; Y606-F687 AromaticContact CE2-CD2 3.89Å; Y606-F687 HydrophobicContact CE2-CD2 3.89Å; Y606-F687 HydrophobicContact CE2-CE2 4.3Å; Y606-F687 HydrophobicContact CE2-CG 4.4Å; Y606-L723 HydrophobicContact CD1-CB 3.91Å; Y606-L723 HydrophobicContact CD1-CD1 4.24Å; Y606-L723 HydrophobicContact CE1-CB 4.47Å; Y606-L723 HydrophobicContact CE1-CD1 4.07Å; Y606-E724 WeakPolarHBondContact CD1-O 3.31Å; Y606-P726 HydrophobicContact CD1-CG 4.03Å; Y606-P726 HydrophobicContact CD2-CG 3.97Å; Y606-P726 HydrophobicContact CE1-CG 3.86Å; Y606-P726 HydrophobicContact CE2-CG 3.77Å; Y606-P726 HydrophobicContact CG-CG 4.09Å
607W97.6Very high93.7Very high3 Ų340.8 Ų40.81%0.01123%0.225CC..EExtended strand (participates in β ladder)trans-145.7162.3171.764.795.5000110.1F564 F600 H605 V624 G674 I675 L677 P707 L719 L720 T721F564-W607 HydrophobicContact CE1-CB 4.18Å; F564-W607 HydrophobicContact CE1-CD2 4.39Å; F564-W607 HydrophobicContact CE1-CE3 4.44Å; F564-W607 HydrophobicContact CE1-CG 4.31Å; F564-W607 HydrophobicContact CZ-CB 3.82Å; F564-W607 AromaticContact CZ-CD1 3.99Å; F564-W607 AromaticContact CZ-CD2 3.76Å; F564-W607 HydrophobicContact CZ-CD2 3.76Å; F564-W607 HydrophobicContact CZ-CE3 4.21Å; F564-W607 AromaticContact CZ-CG 3.59Å; F564-W607 HydrophobicContact CZ-CG 3.59Å; F600-W607 HydrophobicContact CD2-CZ3 4.43Å; F600-W607 HydrophobicContact CE2-CE3 4.47Å; F600-W607 HydrophobicContact CE2-CZ3 4.01Å; H605-W607 HydrophobicContact CB-CZ3 4.24Å; W607-V624 HydrophobicContact CH2-CG1 3.59Å; W607-V624 HydrophobicContact CZ2-CG1 3.88Å; W607-G674 WeakPolarHBondContact O-CA 3.46Å; W607-I675 HydrophobicContact CD2-CB 4.16Å; W607-I675 HydrophobicContact CH2-CB 4.31Å; W607-I675 HydrophobicContact CH2-CG2 3.74Å; W607-I675 HydrophobicContact CZ2-CB 3.72Å; W607-I675 HydrophobicContact CZ2-CG1 4.36Å; W607-I675 HydrophobicContact CZ2-CG2 3.42Å; W607-I675 VanDerWaalsContact CZ2-CG2 3.42Å; W607-I675 HydrophobicContact CZ3-CG2 4.46Å; W607-I675 PolarHBondContact N-O 2.99Å; W607-I675 PolarHBondContact O-N 3.5Å; W607-L677 HydrophobicContact CH2-CB 4.12Å; W607-L677 HydrophobicContact CZ3-CB 4.06Å; W607-P707 HydrophobicContact CD2-CG 4.41Å; W607-P707 HydrophobicContact CH2-CB 4.36Å; W607-P707 HydrophobicContact CH2-CG 4.02Å; W607-P707 HydrophobicContact CZ2-CB 3.67Å; W607-P707 HydrophobicContact CZ2-CG 3.81Å; W607-P707 HydrophobicContact CZ3-CG 4.39Å; W607-L719 HydrophobicContact CG-CD1 4.49Å; W607-L720 WeakPolarHBondContact CB-O 3.5Å; W607-T721 HydrophobicContact CB-CG2 4.47Å
608E97.8Very high93.7Very high18 Ų1837.7 Ų37.78%0.08421%0.206CC..EExtended strand (participates in β ladder)trans-123152.6-179.3-74.9-179.2179.400110.6Y606 T672 V673 L720 L723Y606-E608 HydrophobicContact CE1-CG 3.69Å; Y606-E608 WeakPolarHBondContact CE1-OE1 3.49Å; Y606-E608 WeakPolarHBondContact OH-CG 3.46Å; Y606-E608 PolarHBondContact OH-OE1 3.34Å; E608-T672 HydrophobicContact CB-CG2 3.61Å; E608-T672 HydrophobicContact CG-CG2 3.89Å; E608-T672 WeakPolarHBondContact OE2-CG2 3.49Å; E608-V673 CarbonylContact C-O 3.57Å; E608-V673 WeakPolarHBondContact CA-O 3.24Å; E608-L720 HydrophobicContact CB-CB 4.08Å; E608-L720 HydrophobicContact CB-CD1 4.29Å; E608-L720 PolarHBondContact N-O 3.32Å; E608-L720 PolarHBondContact O-N 3.02Å; E608-L723 HydrophobicContact CB-CD1 3.79Å; E608-L723 HydrophobicContact CG-CD1 3.66Å
609V98.3Very high93.8Very high0 Ų040.6 Ų40.60%022%0.221CC..EExtended strand (participates in β ladder)trans-129.1116.2175.4-177.60000107.9F622 T672 V673 I675 V709 V717 T718 L719V609-F622 HydrophobicContact CB-CD1 4.08Å; V609-F622 HydrophobicContact CB-CE1 4.17Å; V609-F622 HydrophobicContact CG1-CD1 3.97Å; V609-F622 HydrophobicContact CG1-CE1 3.64Å; V609-F622 HydrophobicContact CG2-CD1 4.32Å; V609-T672 WeakPolarHBondContact O-CA 3.32Å; V609-V673 PolarHBondContact N-O 3.24Å; V609-V673 PolarHBondContact O-N 3.09Å; V609-I675 HydrophobicContact CG2-CD1 4.08Å; V609-V709 HydrophobicContact CG2-CG1 4.38Å; V609-V717 HydrophobicContact CG1-CB 3.53Å; V609-V717 HydrophobicContact CG1-CG1 4.12Å; V609-V717 HydrophobicContact CG1-CG2 3.72Å; V609-T718 CarbonylContact C-O 3.55Å; V609-T718 WeakPolarHBondContact CA-O 3.35Å; V609-L719 HydrophobicContact CG2-CD1 3.92Å
610T98.1Very high94Very high28 Ų2838.2 Ų38.217%0.17220%0.201CC..EExtended strand (participates in β ladder)trans-89.6138.5178.8-60.20000110.6D612 V717 T718 L720T610-D612 PolarHBondContact O-N 3.39Å; T610-V717 CarbonylContact O-C 3.58Å; T610-V717 WeakPolarHBondContact O-CA 3.39Å; T610-V717 WeakPolarHBondContact O-CB 3.33Å; T610-T718 PolarHBondContact N-O 3.34Å; T610-T718 PolarHBondContact O-N 3.3Å; T610-L720 VanDerWaalsContact OG1-CD1 3.32Å; T610-L720 WeakPolarHBondContact OG1-CD1 3.31Å
611I97.9Very high94.3Very high1 Ų138.1 Ų38.11%0.00520%0.201CC..EExtended strand (participates in β ladder)trans-88.7103.4178.2-50-55.8000109.7Y614 F622 I667 G670 S671 V717I611-Y614 HydrophobicContact CG2-CD2 4.26Å; I611-Y614 HydrophobicContact CG2-CG 4.37Å; I611-F622 HydrophobicContact CD1-CE1 4.13Å; I611-F622 HydrophobicContact CD1-CE2 4.43Å; I611-F622 HydrophobicContact CD1-CZ 3.54Å; I611-I667 HydrophobicContact CD1-CD1 3.99Å; I611-I667 HydrophobicContact CG1-CB 4.43Å; I611-I667 HydrophobicContact CG1-CD1 4.1Å; I611-G670 PolarHBondContact O-N 3.2Å; I611-S671 WeakPolarHBondContact CG1-O 3.41Å; I611-S671 PolarHBondContact N-O 3.11Å; I611-V717 HydrophobicContact CD1-CG1 3.79Å
612D96.3Very high94.6Very high44 Ų4435.8 Ų35.824%0.23519%0.185CC..EExtended strand (participates in β ladder)trans-82.7-38.6-177.7-55.9-42.3000112.6T610 K669 Q716 T718T610-D612 PolarHBondContact O-N 3.39Å; D612-K669 WeakPolarHBondContact O-CD 3.36Å; D612-K669 WeakPolarHBondContact O-CE 3.44Å; D612-K669 WeakPolarHBondContact O-CG 3.47Å; D612-Q716 HydrophobicContact CB-CB 4.29Å; D612-Q716 HydrophobicContact CB-CG 4.15Å; D612-Q716 PolarHBondContact N-O 3.39Å; D612-T718 PolarHBondContact OD1-OG1 3.24Å; D612-T718 WeakPolarHBondContact OD2-CB 3.22Å; D612-T718 PolarHBondContact OD2-N 3.43Å; D612-T718 PolarHBondContact OD2-OG1 2.91Å
613R95.9Very high95.1Very high70 Ų7033.5 Ų33.526%0.26418%0.175SC..EExtended strand (participates in β ladder)trans-138.2136.9178.9-170.7176.271.8-114.6-1.5109.3T585 D615 R713 V715 Q716T585-R613 PolarHBondContact OG1-NH2 3.35Å; R613-D615 WeakPolarHBondContact CD-OD2 3.42Å; R613-D615 WeakPolarHBondContact CG-OD2 3.45Å; R613-D615 IonicContact NE-OD2 3.31Å; R613-R713 PolarHBondContact NH2-O 2.77Å; R613-V715 WeakPolarHBondContact O-CA 3.37Å; R613-Q716 HydrophobicContact CB-CB 3.74Å; R613-Q716 PolarHBondContact N-O 3.38Å; R613-Q716 VanDerWaalsContact N-O 3.16Å; R613-Q716 PolarHBondContact O-N 2.81Å
614Y95.9Very high95.6Very high27 Ų2732.2 Ų32.211%0.10616%0.162CC..EExtended strand (participates in β ladder)trans-152.294-178.1-174.1-95.8000109I611 P618 P620 D647 N648 I667 V715I611-Y614 HydrophobicContact CG2-CD2 4.26Å; I611-Y614 HydrophobicContact CG2-CG 4.37Å; Y614-P618 HydrophobicContact CD2-CG 3.82Å; Y614-P618 VanDerWaalsContact CE2-CD 3.5Å; Y614-P618 HydrophobicContact CE2-CG 3.63Å; Y614-P618 WeakPolarHBondContact CE2-O 3.24Å; Y614-P618 PolarHBondContact OH-O 2.82Å; Y614-P620 HydrophobicContact CE2-CG 4.38Å; Y614-D647 VanDerWaalsContact OH-C 3.26Å; Y614-N648 HydrophobicContact CE1-CB 4.12Å; Y614-N648 PolarHBondContact OH-N 3.05Å; Y614-I667 HydrophobicContact CD2-CD1 4Å; Y614-I667 HydrophobicContact CD2-CG1 4.36Å; Y614-I667 HydrophobicContact CE2-CD1 3.67Å; Y614-I667 HydrophobicContact CE2-CG1 3.82Å; Y614-V715 HydrophobicContact CD2-CG2 4.41Å
615D93Very high95.8Very high78 Ų7829.8 Ų29.842%0.41715%0.147SC..  trans-116.7145.4-173.2-57.8-37.1000110.8R613 H617 P618 N714R613-D615 WeakPolarHBondContact CD-OD2 3.42Å; R613-D615 WeakPolarHBondContact CG-OD2 3.45Å; R613-D615 IonicContact NE-OD2 3.31Å; D615-H617 VanDerWaalsContact C-N 3.29Å; D615-H617 PolarHBondContact O-N 3.04Å; D615-P618 VanDerWaalsContact O-CD 3.24Å; D615-P618 WeakPolarHBondContact O-CD 3.41Å; D615-N714 HydrophobicContact CB-CB 4.36Å; D615-N714 PolarHBondContact N-O 2.78Å; D615-N714 WeakPolarHBondContact O-CB 3.48Å
616N89.1Confident95.9Very high127 Ų12732.5 Ų32.568%0.67916%0.157SC*.SBendtrans59.928.3174-54.8-39000116.1
617H88.4Confident95.8Very high127 Ų12738 Ų3859%0.58819%0.186SC*.  trans5258.9173-47.396.6000115.2D615 N648D615-H617 VanDerWaalsContact C-N 3.29Å; D615-H617 PolarHBondContact O-N 3.04Å; H617-N648 PolarHBondContact CD2-ND2 2.83Å
618P92.6Very high95.6Very high8 Ų842.5 Ų42.55%0.05221%0.21CC..  trans-80.9164.4176.735.3-33000111.2Y614 D615 P620 N714 V715Y614-P618 HydrophobicContact CD2-CG 3.82Å; Y614-P618 VanDerWaalsContact CE2-CD 3.5Å; Y614-P618 HydrophobicContact CE2-CG 3.63Å; Y614-P618 WeakPolarHBondContact CE2-O 3.24Å; Y614-P618 PolarHBondContact OH-O 2.82Å; D615-P618 VanDerWaalsContact O-CD 3.24Å; D615-P618 WeakPolarHBondContact O-CD 3.41Å; P618-P620 WeakPolarHBondContact O-CD 3.41Å; P618-N714 HydrophobicContact CB-CB 4.36Å; P618-N714 HydrophobicContact CG-CB 4.22Å; P618-V715 HydrophobicContact CB-CG2 3.66Å; P618-V715 HydrophobicContact CG-CG2 3.13Å
619D94.4Very high95.5Very high62 Ų6242 Ų4233%0.33221%0.209SC..  trans-113.365.3-178.2-56.9-29.7000111.6M634 Y645 D647D619-M634 HydrophobicContact CB-CE 4.19Å; D619-M634 VanDerWaalsContact O-CE 3.29Å; D619-M634 WeakPolarHBondContact O-CE 3.4Å; D619-Y645 HydrophobicContact CB-CD2 4.26Å; D619-D647 WeakPolarHBondContact OD1-CB 3.32Å
620P97.1Very high95.3Very high0 Ų046.5 Ų46.50%023%0.23CC..  trans-61.9150.7179.129.2-35.9000111.1Y614 P618 F622 Y645 V646 I667 L711 V715Y614-P620 HydrophobicContact CE2-CG 4.38Å; P618-P620 WeakPolarHBondContact O-CD 3.41Å; P620-F622 HydrophobicContact CB-CE2 3.98Å; P620-F622 HydrophobicContact CB-CZ 3.87Å; P620-F622 HydrophobicContact CG-CE2 3.93Å; P620-F622 HydrophobicContact CG-CZ 3.98Å; P620-Y645 WeakPolarHBondContact O-CA 3.3Å; P620-V646 WeakPolarHBondContact CD-O 3.45Å; P620-V646 PolarHBondContact O-N 3.19Å; P620-V646 VanDerWaalsContact O-N 3.15Å; P620-I667 HydrophobicContact CG-CD1 3.58Å; P620-L711 HydrophobicContact CB-CD2 3.94Å; P620-V715 HydrophobicContact CB-CG1 4.16Å; P620-V715 HydrophobicContact CB-CG2 4.17Å; P620-V715 HydrophobicContact CG-CG1 4.22Å; P620-V715 HydrophobicContact CG-CG2 4.11Å
621A97.9Very high95.1Very high0 Ų048.3 Ų48.30%024%0.236CC..EExtended strand (participates in β ladder)trans-120.5142179.600000112M634 L635 A643 M644 V709 S710A621-M634 HydrophobicContact CB-CG 4.16Å; A621-L635 HydrophobicContact CB-CB 3.97Å; A621-A643 HydrophobicContact CB-CB 4.39Å; A621-M644 CarbonylContact C-O 3.32Å; A621-M644 VanDerWaalsContact CA-O 3.29Å; A621-M644 WeakPolarHBondContact CA-O 3.21Å; A621-V709 CarbonylContact O-C 3.6Å; A621-V709 VanDerWaalsContact O-CA 3.23Å; A621-V709 WeakPolarHBondContact O-CA 3.39Å; A621-S710 WeakPolarHBondContact CB-OG 3.24Å; A621-S710 PolarHBondContact N-O 3.33Å; A621-S710 VanDerWaalsContact N-O 3.14Å; A621-S710 PolarHBondContact O-N 3.15Å
622F98.3Very high95Very high0 Ų055 Ų550%027%0.267CS..EExtended strand (participates in β ladder)trans-130.7139-175.1-51.8-87.7000109.6V609 I611 P620 A643 M644 V646 I667 V673 I675 F686 V709 V717V609-F622 HydrophobicContact CB-CD1 4.08Å; V609-F622 HydrophobicContact CB-CE1 4.17Å; V609-F622 HydrophobicContact CG1-CD1 3.97Å; V609-F622 HydrophobicContact CG1-CE1 3.64Å; V609-F622 HydrophobicContact CG2-CD1 4.32Å; I611-F622 HydrophobicContact CD1-CE1 4.13Å; I611-F622 HydrophobicContact CD1-CE2 4.43Å; I611-F622 HydrophobicContact CD1-CZ 3.54Å; P620-F622 HydrophobicContact CB-CE2 3.98Å; P620-F622 HydrophobicContact CB-CZ 3.87Å; P620-F622 HydrophobicContact CG-CE2 3.93Å; P620-F622 HydrophobicContact CG-CZ 3.98Å; F622-A643 CarbonylContact O-C 3.57Å; F622-A643 VanDerWaalsContact O-CA 3.28Å; F622-A643 WeakPolarHBondContact O-CA 3.5Å; F622-M644 PolarHBondContact N-O 3.5Å; F622-M644 PolarHBondContact O-N 3.45Å; F622-V646 HydrophobicContact CD2-CG1 4.09Å; F622-V646 HydrophobicContact CE2-CG1 3.77Å; F622-I667 HydrophobicContact CE2-CD1 4.4Å; F622-V673 HydrophobicContact CB-CG1 4.08Å; F622-V673 HydrophobicContact CD2-CB 4.38Å; F622-V673 HydrophobicContact CD2-CG1 4.04Å; F622-V673 HydrophobicContact CD2-CG2 4.14Å; F622-V673 HydrophobicContact CE2-CG2 4.02Å; F622-V673 HydrophobicContact CG-CB 4.34Å; F622-V673 HydrophobicContact CG-CG1 3.98Å; F622-V673 HydrophobicContact CZ-CG2 4.35Å; F622-I675 HydrophobicContact CB-CD1 4.33Å; F622-F686 WeakPolarHBondContact O-CE1 3.32Å; F622-F686 WeakPolarHBondContact O-CZ 3.38Å; F622-V709 HydrophobicContact CD1-CB 4.38Å; F622-V709 HydrophobicContact CD1-CG1 3.72Å; F622-V709 HydrophobicContact CE1-CG1 4.33Å; F622-V717 HydrophobicContact CE1-CG1 4.15Å; F622-V717 HydrophobicContact CZ-CG1 4.39Å
623G97.9Very high94.8Very high1 Ų155.7 Ų55.71%0.0127%0.27CS..EExtended strand (participates in β ladder)trans168.3-142.4176.600000114W642 A708G623-W642 WeakPolarHBondContact CA-O 3.34Å; G623-A708 CarbonylContact C-O 3.57Å; G623-A708 PolarHBondContact N-O 3.21Å; G623-A708 PolarHBondContact O-N 3.34Å; G623-A708 VanDerWaalsContact O-O 3.12Å
624V98.3Very high94.8Very high0 Ų053.3 Ų53.30%026%0.262CS..EExtended strand (participates in β ladder)trans-130.7152.2-178.8-60.10000110.7W607 A641 W642 I675 L677 L684 F705 V706W607-V624 HydrophobicContact CH2-CG1 3.59Å; W607-V624 HydrophobicContact CZ2-CG1 3.88Å; V624-A641 WeakPolarHBondContact O-CA 3.42Å; V624-W642 HydrophobicContact CG2-CB 4.09Å; V624-W642 PolarHBondContact N-O 3.38Å; V624-W642 PolarHBondContact O-N 3Å; V624-I675 HydrophobicContact CG1-CG2 4.49Å; V624-L677 HydrophobicContact CG1-CD1 4.45Å; V624-L677 HydrophobicContact CG1-CD2 4.28Å; V624-L684 HydrophobicContact CG1-CD1 4.07Å; V624-L684 HydrophobicContact CG2-CD1 4.37Å; V624-L684 HydrophobicContact CG2-CD2 3.82Å; V624-F705 HydrophobicContact CB-CB 4.19Å; V624-F705 HydrophobicContact CB-CD1 4.43Å; V624-F705 HydrophobicContact CG2-CB 4.46Å; V624-F705 HydrophobicContact CG2-CD1 3.93Å; V624-F705 HydrophobicContact CG2-CG 4.43Å; V624-V706 CarbonylContact C-O 3.6Å; V624-V706 VanDerWaalsContact CA-O 3.24Å; V624-V706 WeakPolarHBondContact CA-O 3.44Å
625A97.7Very high94.9Very high0 Ų052.1 Ų52.10%026%0.257CS..EExtended strand (participates in β ladder)trans-143.6167.7179.100000112.4L595 T629 L635 K640 A641 F705 V706 A708L595-A625 HydrophobicContact CD2-CB 4.12Å; A625-T629 HydrophobicContact CB-CG2 3.7Å; A625-L635 HydrophobicContact CB-CD1 4.17Å; A625-K640 CarbonylContact C-O 3.57Å; A625-K640 VanDerWaalsContact CA-O 3.29Å; A625-K640 WeakPolarHBondContact CA-O 3.22Å; A625-A641 HydrophobicContact CB-CB 3.97Å; A625-F705 CarbonylContact O-C 3.48Å; A625-F705 WeakPolarHBondContact O-CA 3.4Å; A625-V706 PolarHBondContact N-O 3.18Å; A625-V706 VanDerWaalsContact O-CG2 3.26Å; A625-V706 WeakPolarHBondContact O-CG2 3.37Å; A625-V706 PolarHBondContact O-N 2.86Å; A625-A708 HydrophobicContact CB-CB 3.84Å
626R96.1Very high95Very high72 Ų7248.4 Ų48.427%0.27224%0.237SC..  trans-77.8153.1160.3-54.9-63.1-163.9-171-0.6109.5N628 T629 K640 W642 D702 G703 V704R626-N628 VanDerWaalsContact CB-OD1 3.29Å; R626-N628 WeakPolarHBondContact CB-OD1 3.47Å; R626-N628 PolarHBondContact O-N 3.25Å; R626-T629 WeakPolarHBondContact O-CB 3.4Å; R626-T629 WeakPolarHBondContact O-CG2 3.46Å; R626-T629 PolarHBondContact O-N 2.73Å; R626-K640 HydrophobicContact CB-CB 4.09Å; R626-K640 HydrophobicContact CB-CG 4.49Å; R626-K640 HydrophobicContact CG-CB 4.06Å; R626-K640 HydrophobicContact CG-CG 4.38Å; R626-K640 PolarHBondContact N-O 3.12Å; R626-W642 HydrophobicContact CG-CZ3 4.31Å; R626-D702 VanDerWaalsContact CZ-O 3.25Å; R626-D702 PolarHBondContact NH1-O 3.22Å; R626-D702 PolarHBondContact NH2-O 2.93Å; R626-G703 VanDerWaalsContact NH1-C 3.26Å; R626-V704 VanDerWaalsContact CD-O 3.25Å; R626-V704 WeakPolarHBondContact CD-O 3.4Å; R626-V704 PolarHBondContact NH1-O 3.29Å
627I93.4Very high95.4Very high133 Ų13346.2 Ų46.268%0.68222%0.222SC*.THydrogen-bonded Turntrans-57.9-23179.9-162.4164.8000114
628N93.3Very high95.7Very high97 Ų9740.5 Ų40.552%0.51920%0.196SC..THydrogen-bonded Turntrans-103.422.3-179.367.5-14.4000114R626 K640R626-N628 VanDerWaalsContact CB-OD1 3.29Å; R626-N628 WeakPolarHBondContact CB-OD1 3.47Å; R626-N628 PolarHBondContact O-N 3.25Å; N628-K640 WeakPolarHBondContact O-CD 3.36Å; N628-K640 PolarHBondContact O-NZ 2.97Å; N628-K640 VanDerWaalsContact O-NZ 3.12Å
629T95.4Very high95.9Very high8 Ų844.6 Ų44.65%0.04922%0.217CC..  trans-62.1152.5171.9-1710000111.7V593 L595 A625 R626 D638V593-T629 HydrophobicContact CG1-CG2 4.26Å; L595-T629 HydrophobicContact CD1-CG2 4.28Å; L595-T629 HydrophobicContact CD2-CG2 3.81Å; A625-T629 HydrophobicContact CB-CG2 3.7Å; R626-T629 WeakPolarHBondContact O-CB 3.4Å; R626-T629 WeakPolarHBondContact O-CG2 3.46Å; R626-T629 PolarHBondContact O-N 2.73Å; T629-D638 VanDerWaalsContact CA-OD2 3.28Å; T629-D638 WeakPolarHBondContact CA-OD2 3.45Å; T629-D638 WeakPolarHBondContact CB-OD2 3.46Å; T629-D638 PolarHBondContact OG1-OD1 2.87Å; T629-D638 PolarHBondContact OG1-OD2 3.14Å
630M94.7Very high96Very high93 Ų9344.3 Ų44.346%0.45821%0.213SC..  trans-71.9126.7178.3-60.4-163.1-135.400110.8M633 D638M630-M633 HydrophobicContact CB-CG 3.82Å; M630-M633 HydrophobicContact CB-SD 3.84Å; M630-M633 HydrophobicContact CG-SD 4.37Å; M630-M633 HydrophobicContact SD-CE 4.26Å; M630-M633 HydrophobicContact SD-SD 3.94Å; M630-D638 HydrophobicContact CE-CB 3.77Å; M630-D638 HydrophobicContact CG-CB 4.19Å; M630-D638 PolarHBondContact N-OD2 2.88Å
631K94.5Very high96Very high66 Ų6644.3 Ų44.329%0.28721%0.213SC..SBendtrans-94.8-14.8-173.6-59.7173-177.9177.80114.8S570 R592 V593 M633S570-K631 WeakPolarHBondContact O-CD 3.43Å; S570-K631 WeakPolarHBondContact O-CE 3.4Å; S570-K631 PolarHBondContact O-NZ 3.49Å; R592-K631 WeakPolarHBondContact CA-O 3.33Å; V593-K631 PolarHBondContact N-O 3.45Å; V593-K631 VanDerWaalsContact N-O 3.08Å; K631-M633 VanDerWaalsContact C-N 3.31Å
632E93.9Very high96Very high141 Ų14145.8 Ų45.866%0.65922%0.219SC*.SBendtrans-92.514.8-175.6-64.1-174.1-171.500113.4R592R592-E632 PolarHBondContact NH1-O 3.38Å; R592-E632 VanDerWaalsContact NH1-O 3.14Å
633M93.6Very high96Very high60 Ų6045.8 Ų45.830%0.29622%0.219SC..SBendtrans-143.6168.6-18055.6172.534.100111.4V593 M630 K631 K637 D638V593-M633 VanDerWaalsContact CG2-O 3.28Å; V593-M633 WeakPolarHBondContact CG2-O 3.38Å; M630-M633 HydrophobicContact CB-CG 3.82Å; M630-M633 HydrophobicContact CB-SD 3.84Å; M630-M633 HydrophobicContact CG-SD 4.37Å; M630-M633 HydrophobicContact SD-CE 4.26Å; M630-M633 HydrophobicContact SD-SD 3.94Å; K631-M633 VanDerWaalsContact C-N 3.31Å; M633-K637 HydrophobicContact CB-CD 4.34Å; M633-K637 HydrophobicContact CE-CB 4.31Å; M633-K637 HydrophobicContact CG-CB 4.39Å; M633-K637 HydrophobicContact SD-CB 3.63Å; M633-D638 HydrophobicContact SD-CB 4.33Å
634M95.4Very high96Very high19 Ų1945.8 Ų45.89%0.09422%0.218CC..  trans-60.1141173.4179.8-179.3-77.700111.8D591 D619 A621 G636 K637 Y645 M654D591-M634 HydrophobicContact CB-CB 4.05Å; D591-M634 VanDerWaalsContact OD2-CE 3.26Å; D591-M634 WeakPolarHBondContact OD2-CE 3.43Å; D619-M634 HydrophobicContact CB-CE 4.19Å; D619-M634 VanDerWaalsContact O-CE 3.29Å; D619-M634 WeakPolarHBondContact O-CE 3.4Å; A621-M634 HydrophobicContact CB-CG 4.16Å; M634-G636 PolarHBondContact O-N 3.47Å; M634-K637 HydrophobicContact CB-CD 4.05Å; M634-K637 HydrophobicContact CB-CG 4.26Å; M634-K637 WeakPolarHBondContact O-CB 3.48Å; M634-K637 PolarHBondContact O-N 3.06Å; M634-Y645 HydrophobicContact SD-CG 4.35Å; M634-M654 HydrophobicContact SD-CE 3.61Å; M634-M654 HydrophobicContact SD-SD 4.47Å
635L97.2Very high96Very high2 Ų247 Ų471%0.0122%0.223CC..THydrogen-bonded Turntrans-61.5132.4179.5-168.870.7000111.1V593 A621 A625 A641 A643 A708 S710V593-L635 HydrophobicContact CG1-CD1 3.86Å; V593-L635 HydrophobicContact CG2-CB 4.24Å; V593-L635 HydrophobicContact CG2-CD1 4.03Å; A621-L635 HydrophobicContact CB-CB 3.97Å; A625-L635 HydrophobicContact CB-CD1 4.17Å; L635-A641 HydrophobicContact CD1-CB 3.52Å; L635-A641 HydrophobicContact CG-CB 3.97Å; L635-A643 HydrophobicContact CB-CB 4.12Å; L635-A643 HydrophobicContact CD2-CB 3.65Å; L635-A643 HydrophobicContact CG-CB 3.71Å; L635-A708 HydrophobicContact CD1-CB 3.62Å; L635-A708 HydrophobicContact CD2-CB 3.72Å; L635-A708 WeakPolarHBondContact CD2-O 3.45Å; L635-A708 HydrophobicContact CG-CB 4.34Å; L635-S710 PolarHBondContact N-OG 3.41Å
636G96.2Very high95.9Very high0 Ų047 Ų470%022%0.223CC..THydrogen-bonded Turntrans93.7-6.8-177.700000114.6M634 D638 M654 H655 N656 N657M634-G636 PolarHBondContact O-N 3.47Å; G636-D638 VanDerWaalsContact C-N 3.32Å; G636-M654 VanDerWaalsContact C-SD 3.55Å; G636-M654 WeakPolarHBondContact O-CG 3.37Å; G636-H655 CarbonylContact O-C 3.48Å; G636-H655 VanDerWaalsContact O-CA 3.25Å; G636-H655 WeakPolarHBondContact O-CA 3.39Å; G636-N656 PolarHBondContact O-N 3.45Å; G636-N657 PolarHBondContact O-N 3.44Å; G636-N657 VanDerWaalsContact O-N 3.09Å
637K96.4Very high95.8Very high82 Ų8244.5 Ų44.536%0.35722%0.215SC..SBendtrans-71.3-25.6172.6-75.9-170.4171.7176.90113.5M633 M634 M654 N657M633-K637 HydrophobicContact CB-CD 4.34Å; M633-K637 HydrophobicContact CE-CB 4.31Å; M633-K637 HydrophobicContact CG-CB 4.39Å; M633-K637 HydrophobicContact SD-CB 3.63Å; M634-K637 HydrophobicContact CB-CD 4.05Å; M634-K637 HydrophobicContact CB-CG 4.26Å; M634-K637 WeakPolarHBondContact O-CB 3.48Å; M634-K637 PolarHBondContact O-N 3.06Å; K637-M654 HydrophobicContact CG-SD 3.71Å; K637-N657 WeakPolarHBondContact O-CB 3.33Å; K637-N657 PolarHBondContact O-N 3.47Å
638D95.6Very high95.8Very high6 Ų640.6 Ų40.63%0.03220%0.196CC..SBendtrans-93.9173.9173.8747.7000112.2T629 M630 M633 G636 K640 A641 N656T629-D638 VanDerWaalsContact CA-OD2 3.28Å; T629-D638 WeakPolarHBondContact CA-OD2 3.45Å; T629-D638 WeakPolarHBondContact CB-OD2 3.46Å; T629-D638 PolarHBondContact OG1-OD1 2.87Å; T629-D638 PolarHBondContact OG1-OD2 3.14Å; M630-D638 HydrophobicContact CE-CB 3.77Å; M630-D638 HydrophobicContact CG-CB 4.19Å; M630-D638 PolarHBondContact N-OD2 2.88Å; M633-D638 HydrophobicContact SD-CB 4.33Å; G636-D638 VanDerWaalsContact C-N 3.32Å; D638-K640 PolarHBondContact O-N 2.86Å; D638-K640 WeakPolarHBondContact OD1-CA 3.29Å; D638-K640 PolarHBondContact OD1-N 3.29Å; D638-A641 WeakPolarHBondContact OD1-CB 3.36Å; D638-A641 PolarHBondContact OD1-N 3.32Å; D638-N656 VanDerWaalsContact O-CA 3.24Å; D638-N656 WeakPolarHBondContact O-CA 3.38Å; D638-N656 PolarHBondContact O-N 3.23Å
639D96.1Very high95.8Very high94 Ų9440.1 Ų40.150%0.50319%0.193SC..THydrogen-bonded Turntrans-81.26.2177.264.9-24.5000113.5H655D639-H655 PolarHBondContact O-CE1 3.44Å
640K96.8Very high95.8Very high56 Ų5643.5 Ų43.524%0.24321%0.205CC..THydrogen-bonded Turntrans-116-4.2-173-67.5161.4-173.3169.90113.2A625 R626 N628 D638 W642A625-K640 CarbonylContact C-O 3.57Å; A625-K640 VanDerWaalsContact CA-O 3.29Å; A625-K640 WeakPolarHBondContact CA-O 3.22Å; R626-K640 HydrophobicContact CB-CB 4.09Å; R626-K640 HydrophobicContact CB-CG 4.49Å; R626-K640 HydrophobicContact CG-CB 4.06Å; R626-K640 HydrophobicContact CG-CG 4.38Å; R626-K640 PolarHBondContact N-O 3.12Å; N628-K640 WeakPolarHBondContact O-CD 3.36Å; N628-K640 PolarHBondContact O-NZ 2.97Å; N628-K640 VanDerWaalsContact O-NZ 3.12Å; D638-K640 PolarHBondContact O-N 2.86Å; D638-K640 WeakPolarHBondContact OD1-CA 3.29Å; D638-K640 PolarHBondContact OD1-N 3.29Å; K640-W642 VanDerWaalsContact C-CZ3 3.48Å; K640-W642 WeakPolarHBondContact O-CZ3 3.34Å
641A97.3Very high95.9Very high0 Ų039 Ų390%018%0.183CC..EExtended strand (participates in β ladder)trans-124.8145.4179.600000111.9V624 A625 L635 D638 H655V624-A641 WeakPolarHBondContact O-CA 3.42Å; A625-A641 HydrophobicContact CB-CB 3.97Å; L635-A641 HydrophobicContact CD1-CB 3.52Å; L635-A641 HydrophobicContact CG-CB 3.97Å; D638-A641 WeakPolarHBondContact OD1-CB 3.36Å; D638-A641 PolarHBondContact OD1-N 3.32Å; A641-H655 PolarHBondContact O-ND1 3.4Å
642W98.2Very high96Very high32 Ų3238.2 Ų38.212%0.12118%0.178CC..EExtended strand (participates in β ladder)trans-127.8114.4176.5-66.3-95.3000107.4G623 V624 R626 K640 H655 L684 F698 L701 F705G623-W642 WeakPolarHBondContact CA-O 3.34Å; V624-W642 HydrophobicContact CG2-CB 4.09Å; V624-W642 PolarHBondContact N-O 3.38Å; V624-W642 PolarHBondContact O-N 3Å; R626-W642 HydrophobicContact CG-CZ3 4.31Å; K640-W642 VanDerWaalsContact C-CZ3 3.48Å; K640-W642 WeakPolarHBondContact O-CZ3 3.34Å; W642-H655 AromaticContact CD1-CG 3.7Å; W642-H655 AromaticContact CD1-ND1 3.61Å; W642-H655 AromaticContact CD2-ND1 3.88Å; W642-H655 AromaticContact CE2-CE1 3.39Å; W642-H655 AromaticContact CE2-ND1 3.52Å; W642-H655 AromaticContact CG-ND1 3.96Å; W642-H655 AromaticContact CZ2-CE1 3.47Å; W642-H655 VanDerWaalsContact CZ2-CE1 3.47Å; W642-H655 WeakPolarHBondContact CZ2-CE1 3.33Å; W642-H655 AromaticContact NE1-CD2 3.83Å; W642-H655 AromaticContact NE1-CE1 3.4Å; W642-H655 PolarHBondContact NE1-CE1 3.48Å; W642-H655 AromaticContact NE1-CG 3.6Å; W642-H655 AromaticContact NE1-ND1 3.34Å; W642-H655 PolarHBondContact NE1-ND1 2.98Å; W642-H655 AromaticContact NE1-NE2 3.71Å; W642-L684 HydrophobicContact CB-CD2 3.99Å; W642-F698 HydrophobicContact CB-CD2 3.9Å; W642-F698 HydrophobicContact CB-CE2 3.86Å; W642-F698 HydrophobicContact CB-CG 4.28Å; W642-F698 HydrophobicContact CB-CZ 4.24Å; W642-F698 AromaticContact CD1-CD1 3.55Å; W642-F698 AromaticContact CD1-CE1 3.88Å; W642-F698 AromaticContact CD1-CG 3.67Å; W642-F698 HydrophobicContact CG-CD2 4.44Å; W642-F698 HydrophobicContact CG-CG 4.34Å; W642-L701 HydrophobicContact CD2-CD2 3.85Å; W642-L701 HydrophobicContact CG-CD2 3.91Å; W642-L701 HydrophobicContact CZ2-CD2 4.34Å; W642-F705 HydrophobicContact CD2-CE1 4.3Å; W642-F705 HydrophobicContact CE3-CD1 4.05Å; W642-F705 AromaticContact CE3-CE1 3.63Å; W642-F705 HydrophobicContact CE3-CE1 3.63Å; W642-F705 AromaticContact CH2-CE1 3.89Å; W642-F705 HydrophobicContact CH2-CE1 3.89Å; W642-F705 HydrophobicContact CZ2-CE1 4.5Å; W642-F705 AromaticContact CZ3-CD1 3.99Å; W642-F705 HydrophobicContact CZ3-CD1 3.99Å; W642-F705 AromaticContact CZ3-CE1 3.42Å; W642-F705 HydrophobicContact CZ3-CE1 3.42Å; W642-F705 VanDerWaalsContact CZ3-CE1 3.42Å
643A98.1Very high96.2Very high0 Ų031.5 Ų31.50%015%0.147CC..EExtended strand (participates in β ladder)trans-142.4163.9-168.900000113A621 F622 L635 F653 M654A621-A643 HydrophobicContact CB-CB 4.39Å; F622-A643 CarbonylContact O-C 3.57Å; F622-A643 VanDerWaalsContact O-CA 3.28Å; F622-A643 WeakPolarHBondContact O-CA 3.5Å; L635-A643 HydrophobicContact CB-CB 4.12Å; L635-A643 HydrophobicContact CD2-CB 3.65Å; L635-A643 HydrophobicContact CG-CB 3.71Å; A643-F653 CarbonylContact O-C 3.54Å; A643-F653 WeakPolarHBondContact O-CA 3.32Å; A643-M654 PolarHBondContact N-O 2.87Å; A643-M654 PolarHBondContact O-N 3.13Å
644M98.1Very high96.4Very high0 Ų028.7 Ų28.70%013%0.133CC..EExtended strand (participates in β ladder)trans-114.5124.5162-180-177.971.900107.8A621 F622 W652 F653 V673 F686 I688A621-M644 CarbonylContact C-O 3.32Å; A621-M644 VanDerWaalsContact CA-O 3.29Å; A621-M644 WeakPolarHBondContact CA-O 3.21Å; F622-M644 PolarHBondContact N-O 3.5Å; F622-M644 PolarHBondContact O-N 3.45Å; M644-W652 WeakPolarHBondContact CA-O 3.23Å; M644-F653 HydrophobicContact CB-CD1 3.94Å; M644-F653 HydrophobicContact CB-CE1 4.28Å; M644-F653 HydrophobicContact CG-CD1 3.96Å; M644-F653 HydrophobicContact CG-CE1 4.08Å; M644-F653 HydrophobicContact SD-CD1 4.43Å; M644-F653 HydrophobicContact SD-CE1 3.94Å; M644-V673 HydrophobicContact CE-CG1 3.91Å; M644-F686 HydrophobicContact CB-CD1 4Å; M644-F686 HydrophobicContact CB-CD2 3.78Å; M644-F686 HydrophobicContact CB-CE1 3.97Å; M644-F686 HydrophobicContact CB-CE2 3.75Å; M644-F686 HydrophobicContact CB-CG 3.91Å; M644-F686 HydrophobicContact CB-CZ 3.85Å; M644-F686 HydrophobicContact CE-CB 3.87Å; M644-F686 HydrophobicContact CE-CD1 4.17Å; M644-F686 HydrophobicContact CE-CG 4.09Å; M644-F686 HydrophobicContact SD-CB 3.8Å; M644-F686 HydrophobicContact SD-CD2 4.29Å; M644-F686 HydrophobicContact SD-CG 3.97Å; M644-I688 HydrophobicContact CE-CD1 4.4Å; M644-I688 HydrophobicContact CE-CG1 4.44Å
645Y97.3Very high96.4Very high26 Ų2630.4 Ų30.410%0.10214%0.141CC..EExtended strand (participates in β ladder)trans-100.8143.2165.872.9-83.1000109.3D619 P620 M634 S651 W652 M654 H659D619-Y645 HydrophobicContact CB-CD2 4.26Å; P620-Y645 WeakPolarHBondContact O-CA 3.3Å; M634-Y645 HydrophobicContact SD-CG 4.35Å; Y645-S651 VanDerWaalsContact O-CA 3.3Å; Y645-S651 WeakPolarHBondContact O-CA 3.43Å; Y645-S651 WeakPolarHBondContact O-CB 3.44Å; Y645-W652 HydrophobicContact CD1-CB 4.18Å; Y645-W652 HydrophobicContact CD2-CE3 4.24Å; Y645-W652 HydrophobicContact CE1-CB 3.42Å; Y645-W652 VanDerWaalsContact CE1-CB 3.42Å; Y645-W652 HydrophobicContact CE1-CG 4.2Å; Y645-W652 HydrophobicContact CE2-CB 4.34Å; Y645-W652 HydrophobicContact CE2-CD2 4.08Å; Y645-W652 AromaticContact CE2-CE3 3.43Å; Y645-W652 HydrophobicContact CE2-CE3 3.43Å; Y645-W652 VanDerWaalsContact CE2-CE3 3.43Å; Y645-W652 HydrophobicContact CE2-CG 4.48Å; Y645-W652 HydrophobicContact CE2-CZ3 4.09Å; Y645-W652 AromaticContact CZ-CD2 3.81Å; Y645-W652 AromaticContact CZ-CE3 3.66Å; Y645-W652 AromaticContact CZ-CG 3.78Å; Y645-W652 PolarHBondContact N-O 3.44Å; Y645-W652 PolarHBondContact O-N 3.23Å; Y645-W652 WeakPolarHBondContact OH-CB 3.49Å; Y645-W652 VanDerWaalsContact OH-CG 3.29Å; Y645-M654 HydrophobicContact CD1-CB 3.99Å; Y645-M654 HydrophobicContact CD1-CE 3.27Å; Y645-M654 HydrophobicContact CE1-CB 4.2Å; Y645-M654 HydrophobicContact CE1-CE 3.31Å; Y645-M654 HydrophobicContact CG-CE 4.06Å; Y645-H659 AromaticContact CE1-CE1 3.81Å; Y645-H659 AromaticContact CE1-ND1 3.2Å; Y645-H659 WeakPolarHBondContact CE1-ND1 3.47Å; Y645-H659 AromaticContact CZ-CE1 3.91Å; Y645-H659 AromaticContact CZ-ND1 3.34Å; Y645-H659 VanDerWaalsContact CZ-ND1 3.34Å; Y645-H659 PolarHBondContact OH-ND1 3.43Å
646V96.6Very high96.4Very high0 Ų035 Ų350%017%0.165CC..EExtended strand (participates in β ladder)trans-143.7128.8-168.556.50000110.7P620 F622 I667 I688P620-V646 WeakPolarHBondContact CD-O 3.45Å; P620-V646 PolarHBondContact O-N 3.19Å; P620-V646 VanDerWaalsContact O-N 3.15Å; F622-V646 HydrophobicContact CD2-CG1 4.09Å; F622-V646 HydrophobicContact CE2-CG1 3.77Å; V646-I667 HydrophobicContact CG1-CD1 3.81Å; V646-I667 HydrophobicContact CG1-CG1 4.02Å; V646-I667 HydrophobicContact CG1-CG2 3.89Å; V646-I667 HydrophobicContact CG2-CG1 4.21Å; V646-I667 HydrophobicContact CG2-CG2 3.92Å; V646-I688 HydrophobicContact CG2-CD1 4.21Å
647D94.2Very high96.4Very high20 Ų2039.5 Ų39.511%0.10719%0.189CC..  trans-95.7-165.8174.175.930.3000110.1Y614 D619 N649 R650 G666 I667Y614-D647 VanDerWaalsContact OH-C 3.26Å; D619-D647 WeakPolarHBondContact OD1-CB 3.32Å; D647-N649 VanDerWaalsContact C-N 3.27Å; D647-N649 PolarHBondContact O-N 3.1Å; D647-N649 WeakPolarHBondContact OD1-CA 3.38Å; D647-N649 PolarHBondContact OD1-N 3.28Å; D647-R650 PolarHBondContact N-O 2.85Å; D647-R650 PolarHBondContact OD1-N 3.41Å; D647-G666 CarbonylContact O-C 3.51Å; D647-G666 WeakPolarHBondContact O-CA 3.36Å; D647-I667 PolarHBondContact O-N 2.91Å
648N93.8Very high96.3Very high51 Ų5138.9 Ų38.927%0.27320%0.195SC..SBendtrans-74.4-13.9-179.764.8-34.9000114.8Y614 H617 I667Y614-N648 HydrophobicContact CE1-CB 4.12Å; Y614-N648 PolarHBondContact OH-N 3.05Å; H617-N648 PolarHBondContact CD2-ND2 2.83Å; N648-I667 WeakPolarHBondContact CA-O 3.3Å
649N93.2Very high96.3Very high87 Ų8742.7 Ų42.747%0.46521%0.212SC..SBendtrans-123.8-31.8-173.5-63.4-47.2000113.4D647 G665 G666D647-N649 VanDerWaalsContact C-N 3.27Å; D647-N649 PolarHBondContact O-N 3.1Å; D647-N649 WeakPolarHBondContact OD1-CA 3.38Å; D647-N649 PolarHBondContact OD1-N 3.28Å; N649-G665 CarbonylContact O-C 3.51Å; N649-G665 WeakPolarHBondContact O-CA 3.25Å; N649-G665 PolarHBondContact O-N 3.06Å; N649-G666 PolarHBondContact O-N 3.18Å
650R94.9Very high96.2Very high78 Ų7840.9 Ų40.929%0.29421%0.205SC..EExtended strand (participates in β ladder)trans-149.4156.5-161.3-64.9179.5-77.2175.5-8.6112D647 W652 R662 A663 E664D647-R650 PolarHBondContact N-O 2.85Å; D647-R650 PolarHBondContact OD1-N 3.41Å; R650-W652 HydrophobicContact CB-CH2 3.71Å; R650-W652 HydrophobicContact CB-CZ2 4.5Å; R650-W652 HydrophobicContact CB-CZ3 3.77Å; R650-R662 VanDerWaalsContact CD-CZ 3.44Å; R650-R662 VanDerWaalsContact NH1-NH1 3.17Å; R650-A663 WeakPolarHBondContact CA-O 3.35Å; R650-E664 WeakPolarHBondContact CD-OE1 3.44Å; R650-E664 WeakPolarHBondContact CG-OE2 3.32Å
651S96.8Very high96Very high0 Ų042.4 Ų42.40%022%0.216CC..EExtended strand (participates in β ladder)trans-135.8160.3174.967.10000112.3Y645 R662 A663 H693Y645-S651 VanDerWaalsContact O-CA 3.3Å; Y645-S651 WeakPolarHBondContact O-CA 3.43Å; Y645-S651 WeakPolarHBondContact O-CB 3.44Å; S651-R662 WeakPolarHBondContact O-CA 3.37Å; S651-A663 PolarHBondContact N-O 3.06Å; S651-A663 PolarHBondContact O-N 3.48Å; S651-H693 PolarHBondContact OG-CD2 2.84Å; S651-H693 VanDerWaalsContact OG-CD2 3.26Å; S651-H693 PolarHBondContact OG-NE2 3.43Å
652W96.9Very high95.8Very high49 Ų4948.9 Ų48.919%0.18624%0.24CC..EExtended strand (participates in β ladder)trans-140.5151.9170.8-64.2-105.7000110.4M644 Y645 R650 R662M644-W652 WeakPolarHBondContact CA-O 3.23Å; Y645-W652 HydrophobicContact CD1-CB 4.18Å; Y645-W652 HydrophobicContact CD2-CE3 4.24Å; Y645-W652 HydrophobicContact CE1-CB 3.42Å; Y645-W652 VanDerWaalsContact CE1-CB 3.42Å; Y645-W652 HydrophobicContact CE1-CG 4.2Å; Y645-W652 HydrophobicContact CE2-CB 4.34Å; Y645-W652 HydrophobicContact CE2-CD2 4.08Å; Y645-W652 AromaticContact CE2-CE3 3.43Å; Y645-W652 HydrophobicContact CE2-CE3 3.43Å; Y645-W652 VanDerWaalsContact CE2-CE3 3.43Å; Y645-W652 HydrophobicContact CE2-CG 4.48Å; Y645-W652 HydrophobicContact CE2-CZ3 4.09Å; Y645-W652 AromaticContact CZ-CD2 3.81Å; Y645-W652 AromaticContact CZ-CE3 3.66Å; Y645-W652 AromaticContact CZ-CG 3.78Å; Y645-W652 PolarHBondContact N-O 3.44Å; Y645-W652 PolarHBondContact O-N 3.23Å; Y645-W652 WeakPolarHBondContact OH-CB 3.49Å; Y645-W652 VanDerWaalsContact OH-CG 3.29Å; R650-W652 HydrophobicContact CB-CH2 3.71Å; R650-W652 HydrophobicContact CB-CZ2 4.5Å; R650-W652 HydrophobicContact CB-CZ3 3.77Å; W652-R662 HydrophobicContact CZ2-CG 3.99Å
653F97.5Very high95.4Very high0 Ų048.2 Ų48.20%024%0.241CC..EExtended strand (participates in β ladder)trans-84.3140.9168-54.4-32000109.7A643 M644 H659 T660 N661 F686 P695 A697 F698A643-F653 CarbonylContact O-C 3.54Å; A643-F653 WeakPolarHBondContact O-CA 3.32Å; M644-F653 HydrophobicContact CB-CD1 3.94Å; M644-F653 HydrophobicContact CB-CE1 4.28Å; M644-F653 HydrophobicContact CG-CD1 3.96Å; M644-F653 HydrophobicContact CG-CE1 4.08Å; M644-F653 HydrophobicContact SD-CD1 4.43Å; M644-F653 HydrophobicContact SD-CE1 3.94Å; F653-H659 WeakPolarHBondContact O-CA 3.38Å; F653-T660 PolarHBondContact N-O 2.94Å; F653-T660 PolarHBondContact O-N 2.68Å; F653-N661 HydrophobicContact CD2-CB 3.55Å; F653-N661 HydrophobicContact CE2-CB 3.71Å; F653-N661 HydrophobicContact CG-CB 4.45Å; F653-F686 HydrophobicContact CD1-CD2 4.07Å; F653-F686 HydrophobicContact CD1-CE2 4.22Å; F653-F686 AromaticContact CE1-CD2 3.7Å; F653-F686 HydrophobicContact CE1-CD2 3.7Å; F653-F686 HydrophobicContact CE1-CE2 4.3Å; F653-F686 HydrophobicContact CZ-CD2 4.47Å; F653-P695 HydrophobicContact CE2-CG 4.32Å; F653-A697 HydrophobicContact CD1-CB 3.76Å; F653-A697 HydrophobicContact CD2-CB 3.5Å; F653-A697 HydrophobicContact CE1-CB 3.71Å; F653-A697 HydrophobicContact CE2-CB 3.45Å; F653-A697 VanDerWaalsContact CE2-CB 3.45Å; F653-A697 HydrophobicContact CG-CB 3.68Å; F653-A697 HydrophobicContact CZ-CB 3.56Å; F653-F698 HydrophobicContact CB-CE1 4.49Å; F653-F698 HydrophobicContact CB-CE2 4.25Å; F653-F698 HydrophobicContact CB-CZ 3.86Å
654M96.9Very high95.1Very high1 Ų154 Ų541%0.00527%0.268CS..EExtended strand (participates in β ladder)trans-134129.9-177.6-165.1-170.7-61.700111.5M634 G636 K637 A643 Y645 S658 H659 F698M634-M654 HydrophobicContact SD-CE 3.61Å; M634-M654 HydrophobicContact SD-SD 4.47Å; G636-M654 VanDerWaalsContact C-SD 3.55Å; G636-M654 WeakPolarHBondContact O-CG 3.37Å; K637-M654 HydrophobicContact CG-SD 3.71Å; A643-M654 PolarHBondContact N-O 2.87Å; A643-M654 PolarHBondContact O-N 3.13Å; Y645-M654 HydrophobicContact CD1-CB 3.99Å; Y645-M654 HydrophobicContact CD1-CE 3.27Å; Y645-M654 HydrophobicContact CE1-CB 4.2Å; Y645-M654 HydrophobicContact CE1-CE 3.31Å; Y645-M654 HydrophobicContact CG-CE 4.06Å; M654-S658 WeakPolarHBondContact CA-O 3.46Å; M654-H659 WeakPolarHBondContact CE-CE1 3.47Å; M654-F698 WeakPolarHBondContact O-CZ 3.45Å
655H97.1Very high94.6Very high55 Ų5555.7 Ų55.726%0.25529%0.286SS..EExtended strand (participates in β ladder)trans-153.9136.7169.5171.665.3000109G636 D639 A641 W642 N657 S658 F698G636-H655 CarbonylContact O-C 3.48Å; G636-H655 VanDerWaalsContact O-CA 3.25Å; G636-H655 WeakPolarHBondContact O-CA 3.39Å; D639-H655 PolarHBondContact O-CE1 3.44Å; A641-H655 PolarHBondContact O-ND1 3.4Å; W642-H655 AromaticContact CD1-CG 3.7Å; W642-H655 AromaticContact CD1-ND1 3.61Å; W642-H655 AromaticContact CD2-ND1 3.88Å; W642-H655 AromaticContact CE2-CE1 3.39Å; W642-H655 AromaticContact CE2-ND1 3.52Å; W642-H655 AromaticContact CG-ND1 3.96Å; W642-H655 AromaticContact CZ2-CE1 3.47Å; W642-H655 VanDerWaalsContact CZ2-CE1 3.47Å; W642-H655 WeakPolarHBondContact CZ2-CE1 3.33Å; W642-H655 AromaticContact NE1-CD2 3.83Å; W642-H655 AromaticContact NE1-CE1 3.4Å; W642-H655 PolarHBondContact NE1-CE1 3.48Å; W642-H655 AromaticContact NE1-CG 3.6Å; W642-H655 AromaticContact NE1-ND1 3.34Å; W642-H655 PolarHBondContact NE1-ND1 2.98Å; W642-H655 AromaticContact NE1-NE2 3.71Å; H655-N657 PolarHBondContact O-N 3.49Å; H655-S658 PolarHBondContact N-O 2.93Å; H655-S658 WeakPolarHBondContact O-CB 3.41Å; H655-S658 PolarHBondContact O-N 3.28Å; H655-F698 HydrophobicContact CB-CD1 4.49Å; H655-F698 HydrophobicContact CB-CE1 3.63Å; H655-F698 HydrophobicContact CB-CZ 4.09Å
656N96.7Very high94.3Very high99 Ų9955.4 Ų55.453%0.52929%0.291SS..THydrogen-bonded Turntrans51.341.4-178.5-16625.5000113.1G636 D638 S658G636-N656 PolarHBondContact O-N 3.45Å; D638-N656 VanDerWaalsContact O-CA 3.24Å; D638-N656 WeakPolarHBondContact O-CA 3.38Å; D638-N656 PolarHBondContact O-N 3.23Å; N656-S658 PolarHBondContact O-N 2.89Å
657N95.2Very high94.3Very high93 Ų9355.4 Ų55.450%0.49729%0.291SS..THydrogen-bonded Turntrans58.815.9-177.9-162.159.9000114.2G636 K637 H655 H659G636-N657 PolarHBondContact O-N 3.44Å; G636-N657 VanDerWaalsContact O-N 3.09Å; K637-N657 WeakPolarHBondContact O-CB 3.33Å; K637-N657 PolarHBondContact O-N 3.47Å; H655-N657 PolarHBondContact O-N 3.49Å; N657-H659 PolarHBondContact O-CD2 3.47Å
658S95.9Very high94.4Very high69 Ų6958.4 Ų58.448%0.48331%0.31SS..EExtended strand (participates in β ladder)trans-100134.4173.9-178.60000109.8M654 H655 N656M654-S658 WeakPolarHBondContact CA-O 3.46Å; H655-S658 PolarHBondContact N-O 2.93Å; H655-S658 WeakPolarHBondContact O-CB 3.41Å; H655-S658 PolarHBondContact O-N 3.28Å; N656-S658 PolarHBondContact O-N 2.89Å
659H95.1Very high94.5Very high86 Ų8663.5 Ų63.540%0.39833%0.33SS..EExtended strand (participates in β ladder)trans-111.4126-175.3-56.7-114000109.9Y645 F653 M654 N657Y645-H659 AromaticContact CE1-CE1 3.81Å; Y645-H659 AromaticContact CE1-ND1 3.2Å; Y645-H659 WeakPolarHBondContact CE1-ND1 3.47Å; Y645-H659 AromaticContact CZ-CE1 3.91Å; Y645-H659 AromaticContact CZ-ND1 3.34Å; Y645-H659 VanDerWaalsContact CZ-ND1 3.34Å; Y645-H659 PolarHBondContact OH-ND1 3.43Å; F653-H659 WeakPolarHBondContact O-CA 3.38Å; M654-H659 WeakPolarHBondContact CE-CE1 3.47Å; N657-H659 PolarHBondContact O-CD2 3.47Å
660T93.9Very high94.5Very high56 Ų5661.9 Ų61.934%0.34433%0.334SS..EExtended strand (participates in β ladder)trans-135.1166.4-178.162.10000111.9F653 R662F653-T660 PolarHBondContact N-O 2.94Å; F653-T660 PolarHBondContact O-N 2.68Å; T660-R662 PolarHBondContact O-N 2.93Å
661N91.4Very high94.6Very high88 Ų8858.5 Ų58.547%0.47132%0.322SS..EExtended strand (participates in β ladder)trans49.863.1168.1-63.177.2000114.6F653 A663F653-N661 HydrophobicContact CD2-CB 3.55Å; F653-N661 HydrophobicContact CE2-CB 3.71Å; F653-N661 HydrophobicContact CG-CB 4.45Å; N661-A663 PolarHBondContact O-N 3.37Å
662R93.1Very high94.7Very high137 Ų13759.6 Ų59.652%0.51733%0.329SS..EExtended strand (participates in β ladder)trans-58126.6171.6-178.7177.1158.5-179.8-9.4110.5R650 S651 W652 T660 E664R650-R662 VanDerWaalsContact CD-CZ 3.44Å; R650-R662 VanDerWaalsContact NH1-NH1 3.17Å; S651-R662 WeakPolarHBondContact O-CA 3.37Å; W652-R662 HydrophobicContact CZ2-CG 3.99Å; T660-R662 PolarHBondContact O-N 2.93Å; R662-E664 IonicContact CZ-OE1 3.45Å; R662-E664 IonicContact NE-OE1 3.23Å; R662-E664 PolarHBondContact NE-OE1 3.19Å; R662-E664 IonicContact NH2-OE1 2.81Å; R662-E664 PolarHBondContact NH2-OE1 3.3Å
663A91.6Very high94.7Very high17 Ų1757.3 Ų57.314%0.1432%0.32CS..EExtended strand (participates in β ladder)trans-121.3144.5173.600000110.5R650 S651 N661R650-A663 WeakPolarHBondContact CA-O 3.35Å; S651-A663 PolarHBondContact N-O 3.06Å; S651-A663 PolarHBondContact O-N 3.48Å; N661-A663 PolarHBondContact O-N 3.37Å
664E91.6Very high94.7Very high121 Ų12157.3 Ų57.357%0.56532%0.32SS*.EExtended strand (participates in β ladder)trans-86.7146172.4-61.4-65.414300109.2R650 R662 H693R650-E664 WeakPolarHBondContact CD-OE1 3.44Å; R650-E664 WeakPolarHBondContact CG-OE2 3.32Å; R662-E664 IonicContact CZ-OE1 3.45Å; R662-E664 IonicContact NE-OE1 3.23Å; R662-E664 PolarHBondContact NE-OE1 3.19Å; R662-E664 IonicContact NH2-OE1 2.81Å; R662-E664 PolarHBondContact NH2-OE1 3.3Å; E664-H693 PolarHBondContact O-CE1 3.37Å
665G87.4Confident94.8Very high37 Ų3757.3 Ų57.338%0.38132%0.32SS..  trans108.2115.5-168.300000110.4N649 H693N649-G665 CarbonylContact O-C 3.51Å; N649-G665 WeakPolarHBondContact O-CA 3.25Å; N649-G665 PolarHBondContact O-N 3.06Å; G665-H693 PolarHBondContact O-CE1 2.81Å; G665-H693 PolarHBondContact O-NE2 3.16Å
666G91.4Very high94.8Very high19 Ų1954.9 Ų54.920%0.19631%0.309CS..  trans-118.5-166.5-179.400000112.8D647 N649D647-G666 CarbonylContact O-C 3.51Å; D647-G666 WeakPolarHBondContact O-CA 3.36Å; N649-G666 PolarHBondContact O-N 3.18Å
667I96.1Very high94.8Very high0 Ų050.2 Ų50.20%028%0.284CS..  trans-111.5151.6-178.659.2166.8000112.5I611 Y614 P620 F622 V646 D647 N648 V673 I688I611-I667 HydrophobicContact CD1-CD1 3.99Å; I611-I667 HydrophobicContact CG1-CB 4.43Å; I611-I667 HydrophobicContact CG1-CD1 4.1Å; Y614-I667 HydrophobicContact CD2-CD1 4Å; Y614-I667 HydrophobicContact CD2-CG1 4.36Å; Y614-I667 HydrophobicContact CE2-CD1 3.67Å; Y614-I667 HydrophobicContact CE2-CG1 3.82Å; P620-I667 HydrophobicContact CG-CD1 3.58Å; F622-I667 HydrophobicContact CE2-CD1 4.4Å; V646-I667 HydrophobicContact CG1-CD1 3.81Å; V646-I667 HydrophobicContact CG1-CG1 4.02Å; V646-I667 HydrophobicContact CG1-CG2 3.89Å; V646-I667 HydrophobicContact CG2-CG1 4.21Å; V646-I667 HydrophobicContact CG2-CG2 3.92Å; D647-I667 PolarHBondContact O-N 2.91Å; N648-I667 WeakPolarHBondContact CA-O 3.3Å; I667-V673 HydrophobicContact CG2-CG2 3.92Å; I667-I688 HydrophobicContact CG2-CD1 4.23Å
668T95.3Very high94.7Very high83 Ų8346.3 Ų46.351%0.50926%0.264SS..  trans-137.1169.3170.656.80000109.5G670 S671T668-G670 PolarHBondContact O-N 3.31Å; T668-S671 PolarHBondContact N-OG 3.5Å; T668-S671 WeakPolarHBondContact O-CB 3.16Å; T668-S671 PolarHBondContact O-N 2.86Å; T668-S671 PolarHBondContact O-OG 3.18Å; T668-S671 PolarHBondContact OG1-OG 3.35Å
669K96.1Very high94.6Very high158 Ų15844 Ų4469%0.68725%0.245SC*.THydrogen-bonded Turntrans-53.4127.4172.4178.7175.9176176.20110.7D612D612-K669 WeakPolarHBondContact O-CD 3.36Å; D612-K669 WeakPolarHBondContact O-CE 3.44Å; D612-K669 WeakPolarHBondContact O-CG 3.47Å
670G94.6Very high94.4Very high53 Ų5345 Ų4555%0.54626%0.258SS..THydrogen-bonded Turntrans89.7-6.6-175.200000114.7I611 T668I611-G670 PolarHBondContact O-N 3.2Å; T668-G670 PolarHBondContact O-N 3.31Å
671S97Very high94.3Very high7 Ų749 Ų495%0.04927%0.27CS..  trans-67.9155.7171.7-59.60000110.8I611 T668 N689I611-S671 WeakPolarHBondContact CG1-O 3.41Å; I611-S671 PolarHBondContact N-O 3.11Å; T668-S671 PolarHBondContact N-OG 3.5Å; T668-S671 WeakPolarHBondContact O-CB 3.16Å; T668-S671 PolarHBondContact O-N 2.86Å; T668-S671 PolarHBondContact O-OG 3.18Å; T668-S671 PolarHBondContact OG1-OG 3.35Å; S671-N689 WeakPolarHBondContact CA-OD1 3.47Å
672T97.3Very high94.5Very high24 Ų2450.4 Ų50.415%0.14727%0.269CS..EExtended strand (participates in β ladder)trans-124.8129.8177.7-57.70000110.4E608 V609 I688 N689E608-T672 HydrophobicContact CB-CG2 3.61Å; E608-T672 HydrophobicContact CG-CG2 3.89Å; E608-T672 WeakPolarHBondContact OE2-CG2 3.49Å; V609-T672 WeakPolarHBondContact O-CA 3.32Å; T672-I688 CarbonylContact O-C 3.57Å; T672-I688 WeakPolarHBondContact O-CA 3.39Å; T672-N689 PolarHBondContact N-OD1 3.26Å; T672-N689 PolarHBondContact O-N 3.13Å
673V97.9Very high94.7Very high0 Ų045.1 Ų45.10%025%0.252CS..EExtended strand (participates in β ladder)trans-104.2117175.4-177.50000108.6E608 V609 F622 M644 I667 I675 F687E608-V673 CarbonylContact C-O 3.57Å; E608-V673 WeakPolarHBondContact CA-O 3.24Å; V609-V673 PolarHBondContact N-O 3.24Å; V609-V673 PolarHBondContact O-N 3.09Å; F622-V673 HydrophobicContact CB-CG1 4.08Å; F622-V673 HydrophobicContact CD2-CB 4.38Å; F622-V673 HydrophobicContact CD2-CG1 4.04Å; F622-V673 HydrophobicContact CD2-CG2 4.14Å; F622-V673 HydrophobicContact CE2-CG2 4.02Å; F622-V673 HydrophobicContact CG-CB 4.34Å; F622-V673 HydrophobicContact CG-CG1 3.98Å; F622-V673 HydrophobicContact CZ-CG2 4.35Å; M644-V673 HydrophobicContact CE-CG1 3.91Å; I667-V673 HydrophobicContact CG2-CG2 3.92Å; V673-I675 HydrophobicContact CG1-CD1 4.25Å; V673-F687 CarbonylContact C-O 3.59Å; V673-F687 VanDerWaalsContact CA-O 3.31Å; V673-F687 WeakPolarHBondContact CA-O 3.42Å
674G97.4Very high95Very high1 Ų144.3 Ų44.31%0.0125%0.245CC..EExtended strand (participates in β ladder)trans-95.5139.8175.300000111.7W607 F686 F687W607-G674 WeakPolarHBondContact O-CA 3.46Å; G674-F686 CarbonylContact O-C 3.49Å; G674-F686 WeakPolarHBondContact O-CA 3.48Å; G674-F687 PolarHBondContact N-O 3.37Å; G674-F687 PolarHBondContact O-N 3.03Å
675I98Very high95.2Very high0 Ų038.8 Ų38.80%022%0.22CC..EExtended strand (participates in β ladder)trans-121.9118.9178.2-57.481000107.9Y606 W607 V609 F622 V624 V673 L684 F686Y606-I675 WeakPolarHBondContact CA-O 3.34Å; Y606-I675 VanDerWaalsContact CD2-O 3.28Å; Y606-I675 WeakPolarHBondContact CD2-O 3.41Å; W607-I675 HydrophobicContact CD2-CB 4.16Å; W607-I675 HydrophobicContact CH2-CB 4.31Å; W607-I675 HydrophobicContact CH2-CG2 3.74Å; W607-I675 HydrophobicContact CZ2-CB 3.72Å; W607-I675 HydrophobicContact CZ2-CG1 4.36Å; W607-I675 HydrophobicContact CZ2-CG2 3.42Å; W607-I675 VanDerWaalsContact CZ2-CG2 3.42Å; W607-I675 HydrophobicContact CZ3-CG2 4.46Å; W607-I675 PolarHBondContact N-O 2.99Å; W607-I675 PolarHBondContact O-N 3.5Å; V609-I675 HydrophobicContact CG2-CD1 4.08Å; F622-I675 HydrophobicContact CB-CD1 4.33Å; V624-I675 HydrophobicContact CG1-CG2 4.49Å; V673-I675 HydrophobicContact CG1-CD1 4.25Å; I675-L684 HydrophobicContact CG2-CD1 3.66Å; I675-F686 HydrophobicContact CG1-CD1 4.02Å; I675-F686 HydrophobicContact CG1-CE1 3.94Å; I675-F686 HydrophobicContact CG2-CE1 4.21Å
676L96.9Very high95.6Very high5 Ų537 Ų373%0.02620%0.202CC..EExtended strand (participates in β ladder)trans-109.2109.9175.5178.165.2000109.7T604 Y606 L684 T685 F687 V725 I729T604-L676 HydrophobicContact CG2-CD1 3.8Å; Y606-L676 HydrophobicContact CD2-CB 3.96Å; Y606-L676 HydrophobicContact CD2-CD1 4.3Å; L676-L684 WeakPolarHBondContact O-CA 3.18Å; L676-T685 PolarHBondContact N-O 3.36Å; L676-T685 PolarHBondContact O-N 3.32Å; L676-F687 HydrophobicContact CB-CD2 4.44Å; L676-F687 HydrophobicContact CB-CE2 3.73Å; L676-F687 HydrophobicContact CD2-CE2 4.09Å; L676-F687 HydrophobicContact CD2-CZ 4.28Å; L676-V725 HydrophobicContact CD1-CG1 3.85Å; L676-I729 HydrophobicContact CD2-CD1 3.55Å; L676-I729 HydrophobicContact CD2-CG1 4.18Å
677L96.6Very high95.8Very high0 Ų036.3 Ų36.30%019%0.193CC..EExtended strand (participates in β ladder)trans-102.2107.5173.817967.3000109.2F600 T604 H605 W607 V624 L679 L684 L701 F705F600-L677 HydrophobicContact CB-CD2 3.87Å; F600-L677 HydrophobicContact CD2-CD2 4.14Å; F600-L677 HydrophobicContact CG-CD2 4.33Å; T604-L677 WeakPolarHBondContact CA-O 3.45Å; H605-L677 PolarHBondContact N-O 3.49Å; H605-L677 PolarHBondContact O-N 3.37Å; W607-L677 HydrophobicContact CH2-CB 4.12Å; W607-L677 HydrophobicContact CZ3-CB 4.06Å; V624-L677 HydrophobicContact CG1-CD1 4.45Å; V624-L677 HydrophobicContact CG1-CD2 4.28Å; L677-L679 HydrophobicContact CD1-CD2 3.89Å; L677-L679 HydrophobicContact CD1-CG 4.31Å; L677-L679 HydrophobicContact CD2-CD1 4.1Å; L677-L679 HydrophobicContact CD2-CD2 4.27Å; L677-L679 HydrophobicContact CD2-CG 4.13Å; L677-L679 HydrophobicContact CG-CD1 4.47Å; L677-L679 HydrophobicContact CG-CD2 4.09Å; L677-L679 HydrophobicContact CG-CG 3.96Å; L677-L684 HydrophobicContact CB-CD1 4.24Å; L677-L684 HydrophobicContact CD1-CD1 4.13Å; L677-L701 HydrophobicContact CD1-CD1 4.14Å; L677-F705 HydrophobicContact CD2-CB 4.04Å
678D94.7Very high95.8Very high12 Ų1237 Ų376%0.06420%0.197CC..EExtended strand (participates in β ladder)trans-105.495.8175.6-170.5-14.8000109.7T604 T680 K681 R682 T683T604-D678 HydrophobicContact CG2-CB 3.97Å; T604-D678 PolarHBondContact OG1-OD1 2.94Å; T604-D678 VanDerWaalsContact OG1-OD1 3.07Å; D678-T680 VanDerWaalsContact C-N 3.25Å; D678-T680 PolarHBondContact O-N 3.4Å; D678-T680 WeakPolarHBondContact OD1-CA 3.26Å; D678-T680 VanDerWaalsContact OD1-CB 3.23Å; D678-T680 WeakPolarHBondContact OD1-CB 3.32Å; D678-T680 PolarHBondContact OD1-N 3.33Å; D678-K681 HydrophobicContact CB-CB 4.35Å; D678-K681 PolarHBondContact OD1-N 3.22Å; D678-K681 VanDerWaalsContact OD2-CD 3.24Å; D678-K681 WeakPolarHBondContact OD2-CD 3.3Å; D678-K681 VanDerWaalsContact OD2-CG 3.3Å; D678-K681 WeakPolarHBondContact OD2-CG 3.36Å; D678-R682 CarbonylContact O-C 3.59Å; D678-R682 WeakPolarHBondContact O-CA 3.44Å; D678-R682 PolarHBondContact O-N 2.96Å; D678-T683 PolarHBondContact N-O 3.36Å; D678-T683 PolarHBondContact O-N 2.94Å
679L92.8Very high95.7Very high19 Ų1937.2 Ų37.210%0.09920%0.195CC..THydrogen-bonded Turntrans-79.2-11.3177.7-62.7172.1000112.5F600 S601 G603 L677 F705F600-L679 VanDerWaalsContact C-CD1 3.48Å; F600-L679 HydrophobicContact CB-CD1 3.82Å; F600-L679 WeakPolarHBondContact O-CD1 3.49Å; S601-L679 VanDerWaalsContact C-CD1 3.4Å; G603-L679 WeakPolarHBondContact O-CB 3.17Å; G603-L679 PolarHBondContact O-N 3.04Å; L677-L679 HydrophobicContact CD1-CD2 3.89Å; L677-L679 HydrophobicContact CD1-CG 4.31Å; L677-L679 HydrophobicContact CD2-CD1 4.1Å; L677-L679 HydrophobicContact CD2-CD2 4.27Å; L677-L679 HydrophobicContact CD2-CG 4.13Å; L677-L679 HydrophobicContact CG-CD1 4.47Å; L677-L679 HydrophobicContact CG-CD2 4.09Å; L677-L679 HydrophobicContact CG-CG 3.96Å; L679-F705 HydrophobicContact CD2-CD2 3.68Å; L679-F705 HydrophobicContact CD2-CE2 3.81Å
680T90.6Very high95.4Very high107 Ų10737.2 Ų37.266%0.65620%0.195SC*.THydrogen-bonded Turntrans-73.8-44.8171.3-460000109.9D678D678-T680 VanDerWaalsContact C-N 3.25Å; D678-T680 PolarHBondContact O-N 3.4Å; D678-T680 WeakPolarHBondContact OD1-CA 3.26Å; D678-T680 VanDerWaalsContact OD1-CB 3.23Å; D678-T680 WeakPolarHBondContact OD1-CB 3.32Å; D678-T680 PolarHBondContact OD1-N 3.33Å
681K93.1Very high95.3Very high141 Ų14141.9 Ų41.961%0.61320%0.202SC*.THydrogen-bonded Turntrans-89.6-9174.8-63.4-177.2-170.1169.70114D678 T683D678-K681 HydrophobicContact CB-CB 4.35Å; D678-K681 PolarHBondContact OD1-N 3.22Å; D678-K681 VanDerWaalsContact OD2-CD 3.24Å; D678-K681 WeakPolarHBondContact OD2-CD 3.3Å; D678-K681 VanDerWaalsContact OD2-CG 3.3Å; D678-K681 WeakPolarHBondContact OD2-CG 3.36Å; K681-T683 HydrophobicContact CB-CG2 4.24Å
682R95.8Very high95.1Very high118 Ų11843.4 Ų43.445%0.44521%0.209SC..THydrogen-bonded Turntrans61.440.9-176.4-57.3-175.3174.1-170.9-8.5113.4D678 E699 N700 L701 D702D678-R682 CarbonylContact O-C 3.59Å; D678-R682 WeakPolarHBondContact O-CA 3.44Å; D678-R682 PolarHBondContact O-N 2.96Å; R682-E699 CarbonylContact O-C 3.57Å; R682-E699 WeakPolarHBondContact O-CA 3.08Å; R682-N700 PolarHBondContact O-N 3.44Å; R682-L701 VanDerWaalsContact CB-O 3.29Å; R682-L701 WeakPolarHBondContact CB-O 3.25Å; R682-L701 VanDerWaalsContact CG-O 3.32Å; R682-L701 WeakPolarHBondContact CG-O 3.24Å; R682-L701 PolarHBondContact O-N 3.16Å; R682-L701 VanDerWaalsContact O-N 3.09Å; R682-D702 IonicContact NH2-OD1 3.98Å
683T96.5Very high94.8Very high25 Ų2543.2 Ų43.215%0.15321%0.206CC..EExtended strand (participates in β ladder)trans-124.6149.6-175.356.50000113.1D678 K681 T696 F698 E699D678-T683 PolarHBondContact N-O 3.36Å; D678-T683 PolarHBondContact O-N 2.94Å; K681-T683 HydrophobicContact CB-CG2 4.24Å; T683-T696 HydrophobicContact CG2-CG2 3.84Å; T683-F698 CarbonylContact C-O 3.37Å; T683-F698 VanDerWaalsContact CA-O 3.26Å; T683-F698 WeakPolarHBondContact CA-O 3.15Å; T683-E699 HydrophobicContact CG2-CG 4.33Å
684L97.3Very high94.4Very high0 Ų044.6 Ų44.60%022%0.22CC..EExtended strand (participates in β ladder)trans-120.8129.2169.7-176.368.1000110.2V624 W642 I675 L676 L677 F686 A697 F698 L701V624-L684 HydrophobicContact CG1-CD1 4.07Å; V624-L684 HydrophobicContact CG2-CD1 4.37Å; V624-L684 HydrophobicContact CG2-CD2 3.82Å; W642-L684 HydrophobicContact CB-CD2 3.99Å; I675-L684 HydrophobicContact CG2-CD1 3.66Å; L676-L684 WeakPolarHBondContact O-CA 3.18Å; L677-L684 HydrophobicContact CB-CD1 4.24Å; L677-L684 HydrophobicContact CD1-CD1 4.13Å; L684-F686 HydrophobicContact CD2-CE2 3.98Å; L684-F686 HydrophobicContact CD2-CZ 3.65Å; L684-F686 HydrophobicContact CG-CE2 4.11Å; L684-F686 HydrophobicContact CG-CZ 4.02Å; L684-A697 WeakPolarHBondContact O-CB 3.46Å; L684-A697 PolarHBondContact O-N 3.11Å; L684-F698 HydrophobicContact CB-CB 4.33Å; L684-F698 HydrophobicContact CB-CD2 4.25Å; L684-F698 HydrophobicContact CD2-CD2 3.74Å; L684-F698 HydrophobicContact CD2-CE2 4.21Å; L684-F698 HydrophobicContact CG-CD2 4.42Å; L684-F698 PolarHBondContact N-O 3.45Å; L684-F698 PolarHBondContact O-N 3.04Å; L684-L701 HydrophobicContact CB-CD1 3.56Å
685T96.4Very high94.1Very high5 Ų547.7 Ų47.73%0.03124%0.24CC..EExtended strand (participates in β ladder)trans-133.1141.4-177.8-550000110.6L676 F687 Q692L676-T685 PolarHBondContact N-O 3.36Å; L676-T685 PolarHBondContact O-N 3.32Å; T685-F687 HydrophobicContact CG2-CE2 3.93Å; T685-F687 HydrophobicContact CG2-CZ 4.26Å; T685-Q692 HydrophobicContact CG2-CG 3.82Å
686F96.8Very high93.8Very high0 Ų050.2 Ų50.20%026%0.256CS..EExtended strand (participates in β ladder)trans-109.6151.2-179.3-63.8-80.5000111.9F622 M644 F653 G674 I675 L684 H693 A697 F698F622-F686 WeakPolarHBondContact O-CE1 3.32Å; F622-F686 WeakPolarHBondContact O-CZ 3.38Å; M644-F686 HydrophobicContact CB-CD1 4Å; M644-F686 HydrophobicContact CB-CD2 3.78Å; M644-F686 HydrophobicContact CB-CE1 3.97Å; M644-F686 HydrophobicContact CB-CE2 3.75Å; M644-F686 HydrophobicContact CB-CG 3.91Å; M644-F686 HydrophobicContact CB-CZ 3.85Å; M644-F686 HydrophobicContact CE-CB 3.87Å; M644-F686 HydrophobicContact CE-CD1 4.17Å; M644-F686 HydrophobicContact CE-CG 4.09Å; M644-F686 HydrophobicContact SD-CB 3.8Å; M644-F686 HydrophobicContact SD-CD2 4.29Å; M644-F686 HydrophobicContact SD-CG 3.97Å; F653-F686 HydrophobicContact CD1-CD2 4.07Å; F653-F686 HydrophobicContact CD1-CE2 4.22Å; F653-F686 AromaticContact CE1-CD2 3.7Å; F653-F686 HydrophobicContact CE1-CD2 3.7Å; F653-F686 HydrophobicContact CE1-CE2 4.3Å; F653-F686 HydrophobicContact CZ-CD2 4.47Å; G674-F686 CarbonylContact O-C 3.49Å; G674-F686 WeakPolarHBondContact O-CA 3.48Å; I675-F686 HydrophobicContact CG1-CD1 4.02Å; I675-F686 HydrophobicContact CG1-CE1 3.94Å; I675-F686 HydrophobicContact CG2-CE1 4.21Å; L684-F686 HydrophobicContact CD2-CE2 3.98Å; L684-F686 HydrophobicContact CD2-CZ 3.65Å; L684-F686 HydrophobicContact CG-CE2 4.11Å; L684-F686 HydrophobicContact CG-CZ 4.02Å; F686-H693 PolarHBondContact O-N 3.13Å; F686-A697 HydrophobicContact CD2-CB 3.68Å; F686-A697 HydrophobicContact CE2-CB 3.62Å; F686-F698 HydrophobicContact CE2-CE2 4.28Å
687F95.8Very high93.6Very high5 Ų550.5 Ų50.52%0.02226%0.259CS..EExtended strand (participates in β ladder)trans-130.3144.6177.8-63.6-104.4000109Y606 V673 G674 L676 T685 E691 Q692 I729Y606-F687 AromaticContact CE2-CD2 3.89Å; Y606-F687 HydrophobicContact CE2-CD2 3.89Å; Y606-F687 HydrophobicContact CE2-CE2 4.3Å; Y606-F687 HydrophobicContact CE2-CG 4.4Å; V673-F687 CarbonylContact C-O 3.59Å; V673-F687 VanDerWaalsContact CA-O 3.31Å; V673-F687 WeakPolarHBondContact CA-O 3.42Å; G674-F687 PolarHBondContact N-O 3.37Å; G674-F687 PolarHBondContact O-N 3.03Å; L676-F687 HydrophobicContact CB-CD2 4.44Å; L676-F687 HydrophobicContact CB-CE2 3.73Å; L676-F687 HydrophobicContact CD2-CE2 4.09Å; L676-F687 HydrophobicContact CD2-CZ 4.28Å; T685-F687 HydrophobicContact CG2-CE2 3.93Å; T685-F687 HydrophobicContact CG2-CZ 4.26Å; F687-E691 CarbonylContact C-O 3.47Å; F687-E691 WeakPolarHBondContact CA-O 3.37Å; F687-E691 WeakPolarHBondContact CB-O 3.29Å; F687-Q692 VanDerWaalsContact CD1-CA 3.49Å; F687-Q692 HydrophobicContact CD1-CB 4.01Å; F687-Q692 HydrophobicContact CE1-CB 3.75Å; F687-Q692 HydrophobicContact CE1-CG 4.31Å; F687-Q692 HydrophobicContact CZ-CB 4.35Å; F687-Q692 HydrophobicContact CZ-CG 4.44Å; F687-I729 HydrophobicContact CZ-CG1 4.45Å
688I95.5Very high93.6Very high15 Ų1551.8 Ų51.88%0.07726%0.264CS..EExtended strand (participates in β ladder)trans-123.1125.6167.5-64.6-176.6000107.2M644 V646 I667 T672 K690 E691 H693M644-I688 HydrophobicContact CE-CD1 4.4Å; M644-I688 HydrophobicContact CE-CG1 4.44Å; V646-I688 HydrophobicContact CG2-CD1 4.21Å; I667-I688 HydrophobicContact CG2-CD1 4.23Å; T672-I688 CarbonylContact O-C 3.57Å; T672-I688 WeakPolarHBondContact O-CA 3.39Å; I688-K690 PolarHBondContact O-N 3Å; I688-E691 PolarHBondContact N-O 3.33Å; I688-E691 PolarHBondContact O-N 3.32Å; I688-H693 HydrophobicContact CB-CB 4.27Å; I688-H693 HydrophobicContact CD1-CB 4.26Å; I688-H693 HydrophobicContact CG1-CB 3.87Å
689N93.7Very high93.6Very high86 Ų8657.4 Ų57.446%0.4629%0.29SS..THydrogen-bonded Turntrans51.741.4-178.5-58.9-34.2000113.1S671 T672 E691S671-N689 WeakPolarHBondContact CA-OD1 3.47Å; T672-N689 PolarHBondContact N-OD1 3.26Å; T672-N689 PolarHBondContact O-N 3.13Å; N689-E691 PolarHBondContact O-N 3.16Å
690K89.6Confident93.6Very high159 Ų15962.8 Ų62.869%0.69132%0.319SS*.THydrogen-bonded Turntrans69.24.1-178.9-51.2-179.9178-177.50115.6I688I688-K690 PolarHBondContact O-N 3Å
691E91.2Very high93.8Very high150 Ų15058 Ų5870%0.70129%0.29SS*.EExtended strand (participates in β ladder)trans-98.6137.2170.5-62.4-166.316800110.1F687 I688 N689 H693F687-E691 CarbonylContact C-O 3.47Å; F687-E691 WeakPolarHBondContact CA-O 3.37Å; F687-E691 WeakPolarHBondContact CB-O 3.29Å; I688-E691 PolarHBondContact N-O 3.33Å; I688-E691 PolarHBondContact O-N 3.32Å; N689-E691 PolarHBondContact O-N 3.16Å; E691-H693 PolarHBondContact O-N 3.31Å
692Q92.4Very high93.7Very high39 Ų3956.1 Ų56.118%0.18229%0.286CS..EExtended strand (participates in β ladder)trans-62124.4178-175.9177.8-32.700109.8T685 F687 G694T685-Q692 HydrophobicContact CG2-CG 3.82Å; F687-Q692 VanDerWaalsContact CD1-CA 3.49Å; F687-Q692 HydrophobicContact CD1-CB 4.01Å; F687-Q692 HydrophobicContact CE1-CB 3.75Å; F687-Q692 HydrophobicContact CE1-CG 4.31Å; F687-Q692 HydrophobicContact CZ-CB 4.35Å; F687-Q692 HydrophobicContact CZ-CG 4.44Å; Q692-G694 PolarHBondContact NE2-O 3.24Å
693H92.3Very high93.4Very high21 Ų2151.8 Ų51.810%0.09728%0.279CS..  trans-103.8100.9-173.2-16767.1000110.7S651 E664 G665 F686 I688 E691S651-H693 PolarHBondContact OG-CD2 2.84Å; S651-H693 VanDerWaalsContact OG-CD2 3.26Å; S651-H693 PolarHBondContact OG-NE2 3.43Å; E664-H693 PolarHBondContact O-CE1 3.37Å; G665-H693 PolarHBondContact O-CE1 2.81Å; G665-H693 PolarHBondContact O-NE2 3.16Å; F686-H693 PolarHBondContact O-N 3.13Å; I688-H693 HydrophobicContact CB-CB 4.27Å; I688-H693 HydrophobicContact CD1-CB 4.26Å; I688-H693 HydrophobicContact CG1-CB 3.87Å; E691-H693 PolarHBondContact O-N 3.31Å
694G88.6Confident93.3Very high29 Ų2954.3 Ų54.330%0.29929%0.294SS..SBendtrans77.2-173-173.600000114Q692Q692-G694 PolarHBondContact NE2-O 3.24Å
695P91.4Very high93.3Very high66 Ų6654.3 Ų54.343%0.42929%0.294SS..SBendtrans-74.1178.1174.433.3-34.8000111.3F653 A697F653-P695 HydrophobicContact CE2-CG 4.32Å; P695-A697 PolarHBondContact O-N 3.37Å
696T92.5Very high93.3Very high53 Ų5354.6 Ų54.633%0.32530%0.295SS..  trans-51124.5164.1-56.60000109.6T683 E699T683-T696 HydrophobicContact CG2-CG2 3.84Å; T696-E699 HydrophobicContact CG2-CG 4.18Å
697A92.9Very high93.3Very high11 Ų1154.8 Ų54.89%0.09130%0.297CS..  trans-80.7-42.6-167.700000112.8F653 L684 F686 P695F653-A697 HydrophobicContact CD1-CB 3.76Å; F653-A697 HydrophobicContact CD2-CB 3.5Å; F653-A697 HydrophobicContact CE1-CB 3.71Å; F653-A697 HydrophobicContact CE2-CB 3.45Å; F653-A697 VanDerWaalsContact CE2-CB 3.45Å; F653-A697 HydrophobicContact CG-CB 3.68Å; F653-A697 HydrophobicContact CZ-CB 3.56Å; L684-A697 WeakPolarHBondContact O-CB 3.46Å; L684-A697 PolarHBondContact O-N 3.11Å; F686-A697 HydrophobicContact CD2-CB 3.68Å; F686-A697 HydrophobicContact CE2-CB 3.62Å; P695-A697 PolarHBondContact O-N 3.37Å
698F96.4Very high93.4Very high26 Ų2654.7 Ų54.711%0.11430%0.296CS..BIsolated β-bridgetrans-140.1143.9179.9-55.2-81.1000110.2W642 F653 M654 H655 T683 L684 F686 L701W642-F698 HydrophobicContact CB-CD2 3.9Å; W642-F698 HydrophobicContact CB-CE2 3.86Å; W642-F698 HydrophobicContact CB-CG 4.28Å; W642-F698 HydrophobicContact CB-CZ 4.24Å; W642-F698 AromaticContact CD1-CD1 3.55Å; W642-F698 AromaticContact CD1-CE1 3.88Å; W642-F698 AromaticContact CD1-CG 3.67Å; W642-F698 HydrophobicContact CG-CD2 4.44Å; W642-F698 HydrophobicContact CG-CG 4.34Å; F653-F698 HydrophobicContact CB-CE1 4.49Å; F653-F698 HydrophobicContact CB-CE2 4.25Å; F653-F698 HydrophobicContact CB-CZ 3.86Å; M654-F698 WeakPolarHBondContact O-CZ 3.45Å; H655-F698 HydrophobicContact CB-CD1 4.49Å; H655-F698 HydrophobicContact CB-CE1 3.63Å; H655-F698 HydrophobicContact CB-CZ 4.09Å; T683-F698 CarbonylContact C-O 3.37Å; T683-F698 VanDerWaalsContact CA-O 3.26Å; T683-F698 WeakPolarHBondContact CA-O 3.15Å; L684-F698 HydrophobicContact CB-CB 4.33Å; L684-F698 HydrophobicContact CB-CD2 4.25Å; L684-F698 HydrophobicContact CD2-CD2 3.74Å; L684-F698 HydrophobicContact CD2-CE2 4.21Å; L684-F698 HydrophobicContact CG-CD2 4.42Å; L684-F698 PolarHBondContact N-O 3.45Å; L684-F698 PolarHBondContact O-N 3.04Å; F686-F698 HydrophobicContact CE2-CE2 4.28Å; F698-L701 HydrophobicContact CB-CD1 4.28Å; F698-L701 HydrophobicContact CB-CD2 4.38Å; F698-L701 HydrophobicContact CB-CG 4.38Å
699E94.5Very high93.5Very high130 Ų13054.1 Ų54.161%0.60729%0.294SS*.  trans-124.9165178.4-59.6-176.1167.100109.7R682 T683 T696 L701R682-E699 CarbonylContact O-C 3.57Å; R682-E699 WeakPolarHBondContact O-CA 3.08Å; T683-E699 HydrophobicContact CG2-CG 4.33Å; T696-E699 HydrophobicContact CG2-CG 4.18Å; E699-L701 VanDerWaalsContact C-N 3.25Å; E699-L701 PolarHBondContact O-N 3.49Å
700N92.9Very high93.7Very high133 Ų13350 Ų5071%0.71127%0.272SS*.  trans60.331.3-179.6-54-59.6000114.1R682 D702R682-N700 PolarHBondContact O-N 3.44Å; N700-D702 PolarHBondContact O-N 3.31Å
701L93.6Very high94Very high6 Ų642.5 Ų42.53%0.03124%0.239CC..  trans-68.5126.3172.2-67.1172.4000110.9W642 L677 R682 L684 F698 E699 F705W642-L701 HydrophobicContact CD2-CD2 3.85Å; W642-L701 HydrophobicContact CG-CD2 3.91Å; W642-L701 HydrophobicContact CZ2-CD2 4.34Å; L677-L701 HydrophobicContact CD1-CD1 4.14Å; R682-L701 VanDerWaalsContact CB-O 3.29Å; R682-L701 WeakPolarHBondContact CB-O 3.25Å; R682-L701 VanDerWaalsContact CG-O 3.32Å; R682-L701 WeakPolarHBondContact CG-O 3.24Å; R682-L701 PolarHBondContact O-N 3.16Å; R682-L701 VanDerWaalsContact O-N 3.09Å; L684-L701 HydrophobicContact CB-CD1 3.56Å; F698-L701 HydrophobicContact CB-CD1 4.28Å; F698-L701 HydrophobicContact CB-CD2 4.38Å; F698-L701 HydrophobicContact CB-CG 4.38Å; E699-L701 VanDerWaalsContact C-N 3.25Å; E699-L701 PolarHBondContact O-N 3.49Å; L701-F705 HydrophobicContact CB-CE2 4.08Å; L701-F705 HydrophobicContact CB-CZ 3.84Å; L701-F705 HydrophobicContact CD2-CE1 4.05Å; L701-F705 HydrophobicContact CD2-CZ 3.94Å; L701-F705 HydrophobicContact CG-CZ 4.43Å
702D90.9Very high94.2Very high101 Ų10136.1 Ų36.154%0.5421%0.21SC..  trans-134.7150.8179-170.433.2000112.3R626 R682 N700 F705R626-D702 VanDerWaalsContact CZ-O 3.25Å; R626-D702 PolarHBondContact NH1-O 3.22Å; R626-D702 PolarHBondContact NH2-O 2.93Å; R682-D702 IonicContact NH2-OD1 3.98Å; N700-D702 PolarHBondContact O-N 3.31Å; D702-F705 WeakPolarHBondContact O-CE2 3.46Å; D702-F705 VanDerWaalsContact O-CZ 3.26Å; D702-F705 WeakPolarHBondContact O-CZ 3.35Å
703G90.8Very high94.3Very high28 Ų2839 Ų3929%0.28922%0.219SC..SBendtrans89.6-158.9-178.700000114.8R626 F705R626-G703 VanDerWaalsContact NH1-C 3.26Å; G703-F705 WeakPolarHBondContact O-CD2 3.37Å; G703-F705 WeakPolarHBondContact O-CE2 3.41Å
704V93.7Very high94.5Very high77 Ų7739.2 Ų39.247%0.46722%0.221SC..  trans-94.2131.7-174.8-168.80000111.5A599 F600 R626A599-V704 HydrophobicContact CB-CG1 3.74Å; F600-V704 CarbonylContact O-C 3.48Å; F600-V704 WeakPolarHBondContact O-CA 3.32Å; R626-V704 VanDerWaalsContact CD-O 3.25Å; R626-V704 WeakPolarHBondContact CD-O 3.4Å; R626-V704 PolarHBondContact NH1-O 3.29Å
705F96.8Very high94.8Very high1 Ų137.8 Ų37.80%0.00421%0.207CC..BIsolated β-bridgetrans-127.2142.9-179.7-61.6-86.8000111.2F600 V624 A625 W642 L677 L679 L701 D702 G703F600-F705 PolarHBondContact N-O 3.11Å; F600-F705 PolarHBondContact O-N 2.84Å; V624-F705 HydrophobicContact CB-CB 4.19Å; V624-F705 HydrophobicContact CB-CD1 4.43Å; V624-F705 HydrophobicContact CG2-CB 4.46Å; V624-F705 HydrophobicContact CG2-CD1 3.93Å; V624-F705 HydrophobicContact CG2-CG 4.43Å; A625-F705 CarbonylContact O-C 3.48Å; A625-F705 WeakPolarHBondContact O-CA 3.4Å; W642-F705 HydrophobicContact CD2-CE1 4.3Å; W642-F705 HydrophobicContact CE3-CD1 4.05Å; W642-F705 AromaticContact CE3-CE1 3.63Å; W642-F705 HydrophobicContact CE3-CE1 3.63Å; W642-F705 AromaticContact CH2-CE1 3.89Å; W642-F705 HydrophobicContact CH2-CE1 3.89Å; W642-F705 HydrophobicContact CZ2-CE1 4.5Å; W642-F705 AromaticContact CZ3-CD1 3.99Å; W642-F705 HydrophobicContact CZ3-CD1 3.99Å; W642-F705 AromaticContact CZ3-CE1 3.42Å; W642-F705 HydrophobicContact CZ3-CE1 3.42Å; W642-F705 VanDerWaalsContact CZ3-CE1 3.42Å; L677-F705 HydrophobicContact CD2-CB 4.04Å; L679-F705 HydrophobicContact CD2-CD2 3.68Å; L679-F705 HydrophobicContact CD2-CE2 3.81Å; L701-F705 HydrophobicContact CB-CE2 4.08Å; L701-F705 HydrophobicContact CB-CZ 3.84Å; L701-F705 HydrophobicContact CD2-CE1 4.05Å; L701-F705 HydrophobicContact CD2-CZ 3.94Å; L701-F705 HydrophobicContact CG-CZ 4.43Å; D702-F705 WeakPolarHBondContact O-CE2 3.46Å; D702-F705 VanDerWaalsContact O-CZ 3.26Å; D702-F705 WeakPolarHBondContact O-CZ 3.35Å; G703-F705 WeakPolarHBondContact O-CD2 3.37Å; G703-F705 WeakPolarHBondContact O-CE2 3.41Å
706V96.6Very high95.1Very high10 Ų1037.1 Ų37.16%0.06120%0.198CC..EExtended strand (participates in β ladder)trans-114145.1172.3-63.50000109.5L595 A599 V624 A625L595-V706 HydrophobicContact CB-CG2 4.09Å; L595-V706 HydrophobicContact CD1-CG2 4Å; L595-V706 HydrophobicContact CD2-CG2 4Å; L595-V706 HydrophobicContact CG-CG2 4.24Å; A599-V706 HydrophobicContact CB-CG1 3.89Å; V624-V706 CarbonylContact C-O 3.6Å; V624-V706 VanDerWaalsContact CA-O 3.24Å; V624-V706 WeakPolarHBondContact CA-O 3.44Å; A625-V706 PolarHBondContact N-O 3.18Å; A625-V706 VanDerWaalsContact O-CG2 3.26Å; A625-V706 WeakPolarHBondContact O-CG2 3.37Å; A625-V706 PolarHBondContact O-N 2.86Å
707P97.6Very high95.4Very high5 Ų534.6 Ų34.63%0.03218%0.182CC..EExtended strand (participates in β ladder)trans-55.4140.4168-27.538.5000110.7F564 L595 G596 A598 F600 W607F564-P707 HydrophobicContact CD2-CB 4.48Å; F564-P707 HydrophobicContact CD2-CG 4.11Å; F564-P707 HydrophobicContact CE1-CG 4.14Å; F564-P707 HydrophobicContact CE2-CB 3.59Å; F564-P707 HydrophobicContact CE2-CG 3.4Å; F564-P707 VanDerWaalsContact CE2-CG 3.4Å; F564-P707 HydrophobicContact CZ-CB 3.92Å; F564-P707 HydrophobicContact CZ-CG 3.43Å; F564-P707 VanDerWaalsContact CZ-CG 3.43Å; L595-P707 CarbonylContact C-O 3.6Å; L595-P707 VanDerWaalsContact CA-O 3.32Å; L595-P707 WeakPolarHBondContact CA-O 3.49Å; G596-P707 PolarHBondContact N-O 3.1Å; A598-P707 WeakPolarHBondContact O-CD 3.47Å; F600-P707 HydrophobicContact CD2-CG 4.33Å; F600-P707 HydrophobicContact CE2-CG 3.61Å; W607-P707 HydrophobicContact CD2-CG 4.41Å; W607-P707 HydrophobicContact CH2-CB 4.36Å; W607-P707 HydrophobicContact CH2-CG 4.02Å; W607-P707 HydrophobicContact CZ2-CB 3.67Å; W607-P707 HydrophobicContact CZ2-CG 3.81Å; W607-P707 HydrophobicContact CZ3-CG 4.39Å
708A97.8Very high95.6Very high2 Ų235.1 Ų35.12%0.01718%0.184CC..EExtended strand (participates in β ladder)trans-146.9145-178.400000111.5V593 V594 L595 G623 A625 L635V593-A708 HydrophobicContact CG1-CB 4.41Å; V594-A708 WeakPolarHBondContact O-CA 3.44Å; L595-A708 HydrophobicContact CD2-CB 3.57Å; G623-A708 CarbonylContact C-O 3.57Å; G623-A708 PolarHBondContact N-O 3.21Å; G623-A708 PolarHBondContact O-N 3.34Å; G623-A708 VanDerWaalsContact O-O 3.12Å; A625-A708 HydrophobicContact CB-CB 3.84Å; L635-A708 HydrophobicContact CD1-CB 3.62Å; L635-A708 HydrophobicContact CD2-CB 3.72Å; L635-A708 WeakPolarHBondContact CD2-O 3.45Å; L635-A708 HydrophobicContact CG-CB 4.34Å
709V97.6Very high95.7Very high4 Ų434.2 Ų34.22%0.02418%0.18CC..EExtended strand (participates in β ladder)trans-135.5149.4169.8-56.80000109.8F566 V593 V594 V609 A621 F622 L711F566-V709 HydrophobicContact CE1-CG1 4.34Å; F566-V709 HydrophobicContact CE1-CG2 3.61Å; F566-V709 HydrophobicContact CZ-CG2 3.95Å; V593-V709 CarbonylContact C-O 3.53Å; V593-V709 VanDerWaalsContact CA-O 3.3Å; V593-V709 WeakPolarHBondContact CA-O 3.45Å; V594-V709 HydrophobicContact CG1-CG2 3.45Å; V594-V709 VanDerWaalsContact CG1-CG2 3.45Å; V594-V709 PolarHBondContact N-O 3.47Å; V594-V709 PolarHBondContact O-N 2.86Å; V609-V709 HydrophobicContact CG2-CG1 4.38Å; A621-V709 CarbonylContact O-C 3.6Å; A621-V709 VanDerWaalsContact O-CA 3.23Å; A621-V709 WeakPolarHBondContact O-CA 3.39Å; F622-V709 HydrophobicContact CD1-CB 4.38Å; F622-V709 HydrophobicContact CD1-CG1 3.72Å; F622-V709 HydrophobicContact CE1-CG1 4.33Å; V709-L711 HydrophobicContact CG2-CD1 4.17Å; V709-L711 HydrophobicContact CG2-CG 4.2Å
710S96.6Very high95.8Very high0 Ų031.1 Ų31.10%017%0.168CC..EExtended strand (participates in β ladder)trans-119.6131.2166.266.70000111.9R592 A621 L635R592-S710 VanDerWaalsContact O-CA 3.24Å; R592-S710 WeakPolarHBondContact O-CA 3.1Å; A621-S710 WeakPolarHBondContact CB-OG 3.24Å; A621-S710 PolarHBondContact N-O 3.33Å; A621-S710 VanDerWaalsContact N-O 3.14Å; A621-S710 PolarHBondContact O-N 3.15Å; L635-S710 PolarHBondContact N-OG 3.41Å
711L96.4Very high95.9Very high0 Ų025.9 Ų25.90%014%0.141CC..EExtended strand (participates in β ladder)trans-134.5149.3-172.6-52.8171000110.9A584 C586 R592 P620 V709 V715 V717A584-L711 HydrophobicContact CB-CD1 3.81Å; C586-L711 HydrophobicContact CB-CB 4.37Å; C586-L711 WeakPolarHBondContact CB-O 3.48Å; R592-L711 PolarHBondContact N-O 3.11Å; R592-L711 PolarHBondContact O-N 3.19Å; P620-L711 HydrophobicContact CB-CD2 3.94Å; V709-L711 HydrophobicContact CG2-CD1 4.17Å; V709-L711 HydrophobicContact CG2-CG 4.2Å; L711-V715 HydrophobicContact CD2-CB 4.16Å; L711-V715 HydrophobicContact CD2-CG1 3.8Å; L711-V717 HydrophobicContact CD1-CG2 3.68Å; L711-V717 HydrophobicContact CD2-CG1 3.82Å; L711-V717 HydrophobicContact CD2-CG2 4.19Å
712N94.9Very high95.7Very high16 Ų1626.5 Ų26.59%0.08615%0.148CC..  trans-111.117616370.342.9000110.5Y589 N714 V715Y589-N712 WeakPolarHBondContact O-CB 3.42Å; N712-N714 PolarHBondContact O-N 2.73Å; N712-N714 WeakPolarHBondContact OD1-CB 3.16Å; N712-N714 PolarHBondContact OD1-N 3.09Å; N712-V715 PolarHBondContact O-N 3.25Å
713R95.4Very high95.7Very high99 Ų9924.4 Ų24.437%0.37414%0.137SC..THydrogen-bonded Turntrans-56.6-22.6-174.959.2175.3-103.9172.9-5.5116.2C586 S588 Y589 R613 V715C586-R713 WeakPolarHBondContact O-CA 3.36Å; S588-R713 VanDerWaalsContact O-CB 3.29Å; S588-R713 WeakPolarHBondContact O-CB 3.4Å; S588-R713 WeakPolarHBondContact O-CG 3.45Å; S588-R713 PolarHBondContact O-N 3.29Å; Y589-R713 HydrophobicContact CD1-CG 4.13Å; Y589-R713 HydrophobicContact CE1-CG 4.43Å; Y589-R713 VanDerWaalsContact CE1-CZ 3.5Å; Y589-R713 VanDerWaalsContact CE2-NH1 3.26Å; Y589-R713 HydrophobicContact CG-CG 4.45Å; Y589-R713 PolarHBondContact OH-NH1 3.19Å; Y589-R713 PolarHBondContact OH-NH2 2.84Å; R613-R713 PolarHBondContact NH2-O 2.77Å; R713-V715 VanDerWaalsContact C-N 3.28Å
714N95.8Very high95.6Very high26 Ų2629.7 Ų29.714%0.13915%0.154CC..THydrogen-bonded Turntrans-85.7-3.2-177.4-55.9-38.1000113D615 P618 N712D615-N714 HydrophobicContact CB-CB 4.36Å; D615-N714 PolarHBondContact N-O 2.78Å; D615-N714 WeakPolarHBondContact O-CB 3.48Å; P618-N714 HydrophobicContact CB-CB 4.36Å; P618-N714 HydrophobicContact CG-CB 4.22Å; N712-N714 PolarHBondContact O-N 2.73Å; N712-N714 WeakPolarHBondContact OD1-CB 3.16Å; N712-N714 PolarHBondContact OD1-N 3.09Å
715V96.5Very high95.2Very high0 Ų028.6 Ų28.60%015%0.148CC..EExtended strand (participates in β ladder)trans-118.2136.7178.3-168.40000110.4R613 Y614 P618 P620 L711 N712 R713 V717R613-V715 WeakPolarHBondContact O-CA 3.37Å; Y614-V715 HydrophobicContact CD2-CG2 4.41Å; P618-V715 HydrophobicContact CB-CG2 3.66Å; P618-V715 HydrophobicContact CG-CG2 3.13Å; P620-V715 HydrophobicContact CB-CG1 4.16Å; P620-V715 HydrophobicContact CB-CG2 4.17Å; P620-V715 HydrophobicContact CG-CG1 4.22Å; P620-V715 HydrophobicContact CG-CG2 4.11Å; L711-V715 HydrophobicContact CD2-CB 4.16Å; L711-V715 HydrophobicContact CD2-CG1 3.8Å; N712-V715 PolarHBondContact O-N 3.25Å; R713-V715 VanDerWaalsContact C-N 3.28Å; V715-V717 HydrophobicContact CG1-CG1 3.72Å
716Q97.5Very high94.6Very high52 Ų5230.1 Ų30.124%0.24316%0.157CC..EExtended strand (participates in β ladder)trans-128.1137.2163.6-176.9-177.4-61.900108.5T583 A584 D612 R613T583-Q716 HydrophobicContact CG2-CG 3.71Å; A584-Q716 WeakPolarHBondContact O-CA 3.38Å; D612-Q716 HydrophobicContact CB-CB 4.29Å; D612-Q716 HydrophobicContact CB-CG 4.15Å; D612-Q716 PolarHBondContact N-O 3.39Å; R613-Q716 HydrophobicContact CB-CB 3.74Å; R613-Q716 PolarHBondContact N-O 3.38Å; R613-Q716 VanDerWaalsContact N-O 3.16Å; R613-Q716 PolarHBondContact O-N 2.81Å
717V98.1Very high93.3Very high0 Ų038.2 Ų38.20%019%0.192CC..EExtended strand (participates in β ladder)trans-133.2151.2-179.7-53.40000111.7F566 T583 A584 V609 T610 I611 F622 L711 V715F566-V717 HydrophobicContact CZ-CG2 4.24Å; T583-V717 CarbonylContact C-O 3.59Å; T583-V717 WeakPolarHBondContact CA-O 3.41Å; A584-V717 HydrophobicContact CB-CG2 4.35Å; A584-V717 PolarHBondContact N-O 2.79Å; A584-V717 PolarHBondContact O-N 3.34Å; V609-V717 HydrophobicContact CG1-CB 3.53Å; V609-V717 HydrophobicContact CG1-CG1 4.12Å; V609-V717 HydrophobicContact CG1-CG2 3.72Å; T610-V717 CarbonylContact O-C 3.58Å; T610-V717 WeakPolarHBondContact O-CA 3.39Å; T610-V717 WeakPolarHBondContact O-CB 3.33Å; I611-V717 HydrophobicContact CD1-CG1 3.79Å; F622-V717 HydrophobicContact CE1-CG1 4.15Å; F622-V717 HydrophobicContact CZ-CG1 4.39Å; L711-V717 HydrophobicContact CD1-CG2 3.68Å; L711-V717 HydrophobicContact CD2-CG1 3.82Å; L711-V717 HydrophobicContact CD2-CG2 4.19Å; V715-V717 HydrophobicContact CG1-CG1 3.72Å
718T98.1Very high91.3Very high21 Ų2145.3 Ų45.313%0.12923%0.23CC..EExtended strand (participates in β ladder)trans-118.9129.3172.7-68.50000109.9Q582 T583 V609 T610 D612Q582-T718 WeakPolarHBondContact O-CA 3.43Å; T583-T718 PolarHBondContact OG1-OG1 3.45Å; V609-T718 CarbonylContact C-O 3.55Å; V609-T718 WeakPolarHBondContact CA-O 3.35Å; T610-T718 PolarHBondContact N-O 3.34Å; T610-T718 PolarHBondContact O-N 3.3Å; D612-T718 PolarHBondContact OD1-OG1 3.24Å; D612-T718 WeakPolarHBondContact OD2-CB 3.22Å; D612-T718 PolarHBondContact OD2-N 3.43Å; D612-T718 PolarHBondContact OD2-OG1 2.91Å
719L97.9Very high89.5Confident7 Ų748.2 Ų48.24%0.03724%0.244CC..EExtended strand (participates in β ladder)trans-83.6133179.9179.270.2000110.5F564 F566 Q582 W607 V609 T721F564-L719 HydrophobicContact CD2-CD2 3.72Å; F564-L719 HydrophobicContact CE2-CD1 3.94Å; F564-L719 HydrophobicContact CE2-CD2 3.55Å; F564-L719 HydrophobicContact CE2-CG 4.25Å; F564-L719 HydrophobicContact CZ-CD1 4.32Å; F566-L719 HydrophobicContact CD2-CB 4.36Å; F566-L719 HydrophobicContact CE2-CB 3.69Å; F566-L719 HydrophobicContact CZ-CB 3.85Å; F566-L719 HydrophobicContact CZ-CD2 4.49Å; Q582-L719 WeakPolarHBondContact O-CB 3.49Å; Q582-L719 PolarHBondContact O-N 2.95Å; W607-L719 HydrophobicContact CG-CD1 4.49Å; V609-L719 HydrophobicContact CG2-CD1 3.92Å; L719-T721 HydrophobicContact CD1-CG2 4.11Å; L719-T721 HydrophobicContact CD2-CG2 3.76Å; L719-T721 HydrophobicContact CG-CG2 3.67Å
720L95.9Very high87.3Confident66 Ų6655.7 Ų55.735%0.34628%0.276SS..EExtended strand (participates in β ladder)trans-117.7113.4176.2-60176.1000109.1W607 E608 T610 L723W607-L720 WeakPolarHBondContact CB-O 3.5Å; E608-L720 HydrophobicContact CB-CB 4.08Å; E608-L720 HydrophobicContact CB-CD1 4.29Å; E608-L720 PolarHBondContact N-O 3.32Å; E608-L720 PolarHBondContact O-N 3.02Å; T610-L720 VanDerWaalsContact OG1-CD1 3.32Å; T610-L720 WeakPolarHBondContact OG1-CD1 3.31Å; L720-L723 HydrophobicContact CB-CD1 4.42Å
721T94.6Very high84.6Confident23 Ų2367.9 Ų67.914%0.14133%0.333CS..  trans-118.1-179.9-178.366.80000111.6F564 W607 L719 L723F564-T721 HydrophobicContact CD1-CG2 3.64Å; F564-T721 HydrophobicContact CD2-CG2 3.85Å; F564-T721 HydrophobicContact CE1-CG2 3.48Å; F564-T721 VanDerWaalsContact CE1-CG2 3.48Å; F564-T721 HydrophobicContact CE2-CG2 3.69Å; F564-T721 HydrophobicContact CG-CG2 3.81Å; F564-T721 HydrophobicContact CZ-CG2 3.5Å; F564-T721 VanDerWaalsContact CZ-CG2 3.5Å; F564-T721 PolarHBondContact N-OG1 2.91Å; F564-T721 WeakPolarHBondContact O-CG2 3.45Å; F564-T721 PolarHBondContact O-OG1 3.35Å; F564-T721 VanDerWaalsContact O-OG1 3.13Å; W607-T721 HydrophobicContact CB-CG2 4.47Å; L719-T721 HydrophobicContact CD1-CG2 4.11Å; L719-T721 HydrophobicContact CD2-CG2 3.76Å; L719-T721 HydrophobicContact CG-CG2 3.67Å; T721-L723 VanDerWaalsContact C-N 3.3Å; T721-L723 PolarHBondContact O-N 3.06Å
722G90.7Very high84.1Confident18 Ų1871.3 Ų71.319%0.18635%0.35CS..SBendtrans7123.6-177.400000114.1A562A562-G722 PolarHBondContact O-N 2.88Å
723L91.6Very high83.5Confident58 Ų5874.2 Ų74.230%0.30436%0.364SS..PPolyproline II helixtrans-91.4146.5-176.8-60.2179.8000112.1V561 Y606 E608 L720 T721V561-L723 WeakPolarHBondContact CG1-O 3.2Å; Y606-L723 HydrophobicContact CD1-CB 3.91Å; Y606-L723 HydrophobicContact CD1-CD1 4.24Å; Y606-L723 HydrophobicContact CE1-CB 4.47Å; Y606-L723 HydrophobicContact CE1-CD1 4.07Å; E608-L723 HydrophobicContact CB-CD1 3.79Å; E608-L723 HydrophobicContact CG-CD1 3.66Å; L720-L723 HydrophobicContact CB-CD1 4.42Å; T721-L723 VanDerWaalsContact C-N 3.3Å; T721-L723 PolarHBondContact O-N 3.06Å
724E87.5Confident82.8Confident139 Ų13972.8 Ų72.865%0.6536%0.363SS*.PPolyproline II helixtrans-72.1151.1169.5-69.9-173.6-173.300111.3Y606 K727Y606-E724 WeakPolarHBondContact CD1-O 3.31Å; E724-K727 IonicContact OE2-NZ 3.85Å
725V86.3Confident82.1Confident54 Ų5475.5 Ų75.533%0.32738%0.376SS..PPolyproline II helixtrans-63.5130.6173.8179.10000110.1T604 L676 K727 I729T604-V725 HydrophobicContact CG2-CG1 4.11Å; T604-V725 HydrophobicContact CG2-CG2 3.88Å; L676-V725 HydrophobicContact CD1-CG1 3.85Å; V725-K727 PolarHBondContact O-N 3.18Å; V725-I729 HydrophobicContact CG1-CD1 4.39Å
726P84.1Confident81.2Confident33 Ų3380.3 Ų80.321%0.21440%0.4CS..PPolyproline II helixtrans-57.3129.6177.7-2634.2000112.4Y606 I729Y606-P726 HydrophobicContact CD1-CG 4.03Å; Y606-P726 HydrophobicContact CD2-CG 3.97Å; Y606-P726 HydrophobicContact CE1-CG 3.86Å; Y606-P726 HydrophobicContact CE2-CG 3.77Å; Y606-P726 HydrophobicContact CG-CG 4.09Å; P726-I729 WeakPolarHBondContact O-CG1 3.27Å
727K68.3Low80.1Confident180 Ų18082.1 Ų82.178%0.78341%0.41SS*.SBendtrans-79-17.4-174.8-63.3179.1-175.7171.80114.4E724 V725E724-K727 IonicContact OE2-NZ 3.85Å; V725-K727 PolarHBondContact O-N 3.18Å
728N55.1Low78.8Confident154 Ų15488 Ų8882%0.82444%0.439SS*.  trans-111.856-174.9-66.1-23.3000111.9K730N728-K730 PolarHBondContact O-N 3.03Å
729I60.7Low77.3Confident62 Ų6293.2 Ų93.232%0.31846%0.463SS..  trans-74.4125.2173.3-58.5163.4000107.3L676 F687 V725 P726 Q731L676-I729 HydrophobicContact CD2-CD1 3.55Å; L676-I729 HydrophobicContact CD2-CG1 4.18Å; F687-I729 HydrophobicContact CZ-CG1 4.45Å; V725-I729 HydrophobicContact CG1-CD1 4.39Å; P726-I729 WeakPolarHBondContact O-CG1 3.27Å; I729-Q731 PolarHBondContact O-N 3.1Å; I729-Q731 VanDerWaalsContact O-N 3.09Å
730K51.8Low75.6Confident161 Ų161100.3 Ų100.370%0.750%0.499SS*.  trans-65.5112.3172.5-70.8179.1180171.90106.6N728N728-K730 PolarHBondContact O-N 3.03Å
731Q40.7Very low73.7Confident256 Ų256103.5 Ų103.5100%1.19651%0.513SS*.  trans-65.80174.6-80.6-173.5-2.400111.2I729I729-Q731 PolarHBondContact O-N 3.1Å; I729-Q731 VanDerWaalsContact O-N 3.09Å

Retrieved 731 of 731 residues in 122.1 ms (Link to these results)

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