A0A077Z4D4_TRITR Loading...

Eukaryotic translation initiation factor 2 subunit 1

AlphaFold DB , UniProt , Accession A0A077Z4D4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 339 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
1M41.7Very low64Low228 Ų22863.7 Ų63.7100%1.12334%0.336SS*.  0122.70-64.1-170.4-174.900106.7Q3M1-Q3 PolarHBondContact O-N 3.27Å
2P45.6Very low64.9Low82 Ų8272.5 Ų72.553%0.53236%0.361SS..  trans-58.5125.9176.325.9-31.1000107.6L4P2-L4 VanDerWaalsContact C-N 3.26Å; P2-L4 HydrophobicContact CG-CD1 4.41Å; P2-L4 PolarHBondContact O-N 3.17Å
3Q55.7Low66.1Low170 Ų17072.2 Ų72.279%0.79435%0.354SS*.  trans-7491.6171.7-68.1-174.110.300106.1M1 S5M1-Q3 PolarHBondContact O-N 3.27Å; Q3-S5 PolarHBondContact O-N 3.24Å
4L61.3Low67.3Low12 Ų1267.4 Ų67.46%0.06333%0.331CS..  trans-60.9110.8171-74.6110.3000107.7P2 Y109 Y121 L127P2-L4 VanDerWaalsContact C-N 3.26Å; P2-L4 HydrophobicContact CG-CD1 4.41Å; P2-L4 PolarHBondContact O-N 3.17Å; L4-Y109 PolarHBondContact O-OH 2.89Å; L4-Y121 WeakPolarHBondContact CD2-O 3.37Å; L4-L127 HydrophobicContact CB-CD2 4.03Å; L4-L127 HydrophobicContact CD2-CB 4.23Å; L4-L127 HydrophobicContact CD2-CD2 4.42Å
5S65.2Low68.3Low41 Ų4168.7 Ų68.729%0.28734%0.34SS..  trans-124.6118.3178.1-1700000107.8Q3 N40 Y109Q3-S5 PolarHBondContact O-N 3.24Å; S5-N40 VanDerWaalsContact CB-OD1 3.3Å; S5-N40 WeakPolarHBondContact CB-OD1 3.04Å; S5-N40 PolarHBondContact O-ND2 3.31Å; S5-N40 PolarHBondContact O-OD1 3.23Å; S5-N40 PolarHBondContact OG-OD1 3.32Å; S5-Y109 WeakPolarHBondContact CA-OH 3.41Å
6C65.7Low69.4Low2 Ų271.4 Ų71.41%0.01435%0.354CS..  trans-126.7151.9175.8-75.30000109.2Y109 D124 L127 E128 L131C6-Y109 HydrophobicContact CB-CE2 4.04Å; C6-Y109 PolarHBondContact N-OH 2.98Å; C6-Y109 VanDerWaalsContact O-CE2 3.24Å; C6-Y109 WeakPolarHBondContact O-CE2 3.41Å; C6-D124 PolarHBondContact SG-O 2.98Å; C6-D124 VanDerWaalsContact SG-O 3.36Å; C6-L127 HydrophobicContact CB-CD2 3.89Å; C6-L127 HydrophobicContact CB-CG 4.09Å; C6-E128 HydrophobicContact CB-CG 4.32Å; C6-E128 VanDerWaalsContact SG-CG 3.59Å; C6-L131 HydrophobicContact CB-CD1 3.64Å
7R75Confident70.3Confident28 Ų2875.9 Ų75.911%0.10637%0.374CS..  trans-61.2147.8172.155.9-170.1151.9140.55.5111.1Y9 A10 N40 E128 W136R7-Y9 WeakPolarHBondContact CG-O 3.48Å; R7-A10 PolarHBondContact NH1-O 3.46Å; R7-N40 HydrophobicContact CB-CB 4.31Å; R7-E128 IonicContact CZ-OE1 2.85Å; R7-E128 IonicContact NE-OE1 3.72Å; R7-E128 PolarHBondContact NE-OE1 3.46Å; R7-E128 IonicContact NH2-OE1 3.96Å; R7-E128 PolarHBondContact NH2-OE1 3.5Å; R7-E128 IonicContact NH2-OE2 3.37Å; R7-E128 PolarHBondContact NH2-OE2 3.16Å; R7-W136 HydrophobicContact CG-CH2 4.05Å; R7-W136 HydrophobicContact CG-CZ2 3.8Å
8F70.4Confident71.1Confident28 Ų2872.8 Ų72.812%0.12336%0.359CS..SBendtrans-77.8-38.2-179.8-73.5-103.2000111.5L37 E38 A105 Y109 W136F8-L37 VanDerWaalsContact CE2-O 3.26Å; F8-L37 WeakPolarHBondContact CE2-O 3.31Å; F8-E38 WeakPolarHBondContact CB-O 3.43Å; F8-E38 VanDerWaalsContact CD2-CA 3.48Å; F8-E38 HydrophobicContact CD2-CB 4.48Å; F8-E38 VanDerWaalsContact CD2-O 3.31Å; F8-E38 WeakPolarHBondContact CD2-O 3.3Å; F8-E38 PolarHBondContact N-O 3.25Å; F8-A105 HydrophobicContact CD1-CB 3.81Å; F8-A105 WeakPolarHBondContact CD1-O 3.49Å; F8-A105 HydrophobicContact CE1-CB 4.46Å; F8-A105 WeakPolarHBondContact CE1-O 3.3Å; F8-Y109 HydrophobicContact CD1-CD2 4.41Å; F8-Y109 HydrophobicContact CD1-CG 4.12Å; F8-Y109 HydrophobicContact CE1-CD1 4.02Å; F8-Y109 HydrophobicContact CE1-CD2 4.23Å; F8-Y109 AromaticContact CE1-CG 3.56Å; F8-Y109 HydrophobicContact CE1-CG 3.56Å; F8-Y109 HydrophobicContact CE2-CD1 4.44Å; F8-Y109 HydrophobicContact CE2-CG 4.34Å; F8-Y109 AromaticContact CZ-CD1 3.74Å; F8-Y109 HydrophobicContact CZ-CD1 3.74Å; F8-Y109 HydrophobicContact CZ-CD2 4.33Å; F8-Y109 HydrophobicContact CZ-CE1 4.43Å; F8-Y109 AromaticContact CZ-CG 3.7Å; F8-Y109 HydrophobicContact CZ-CG 3.7Å; F8-W136 PolarHBondContact O-NE1 3.17Å
9Y74.7Confident72Confident6 Ų669.9 Ų69.92%0.02435%0.346CS..SBendtrans-105.2158.5-176.9-53.6-65.3000112R7 D11 E38 Y39 W136 K145R7-Y9 WeakPolarHBondContact CG-O 3.48Å; Y9-D11 PolarHBondContact O-N 3.02Å; Y9-E38 HydrophobicContact CD2-CB 4.29Å; Y9-E38 HydrophobicContact CE2-CB 3.83Å; Y9-E38 HydrophobicContact CE2-CG 4.18Å; Y9-E38 VanDerWaalsContact CE2-OE1 3.28Å; Y9-E38 WeakPolarHBondContact CE2-OE1 3.5Å; Y9-E38 PolarHBondContact OH-OE1 3.42Å; Y9-Y39 AromaticContact CD2-CE1 3.97Å; Y9-Y39 HydrophobicContact CD2-CE1 3.97Å; Y9-Y39 HydrophobicContact CD2-CE2 4.01Å; Y9-Y39 AromaticContact CD2-CZ 3.59Å; Y9-Y39 HydrophobicContact CE2-CE2 4.3Å; Y9-W136 VanDerWaalsContact C-CE2 3.44Å; Y9-W136 VanDerWaalsContact C-NE1 3.3Å; Y9-W136 VanDerWaalsContact O-CZ2 3.29Å; Y9-W136 WeakPolarHBondContact O-CZ2 3.33Å; Y9-K145 HydrophobicContact CD1-CB 4.29Å; Y9-K145 HydrophobicContact CE1-CB 3.8Å; Y9-K145 HydrophobicContact CE1-CG 4.46Å
10A72.2Confident72.8Confident24 Ų2466.4 Ų66.420%0.19833%0.329CS..SBendtrans-63.6-33.8177.400000112.1R7 W136R7-A10 PolarHBondContact NH1-O 3.46Å; A10-W136 VanDerWaalsContact CA-CE3 3.48Å; A10-W136 HydrophobicContact CB-CB 4.04Å; A10-W136 HydrophobicContact CB-CD2 3.57Å; A10-W136 HydrophobicContact CB-CE3 3.59Å; A10-W136 HydrophobicContact CB-CG 3.72Å; A10-W136 HydrophobicContact CB-CZ3 4.34Å
11D76.6Confident73.5Confident80 Ų8063.9 Ų63.943%0.42832%0.316SS..SBendtrans-75.5135.3-179.6-54.3-46.3000109.9Y9 Y13 Y39Y9-D11 PolarHBondContact O-N 3.02Å; D11-Y13 VanDerWaalsContact C-N 3.31Å; D11-Y39 WeakPolarHBondContact O-CD1 3.49Å; D11-Y39 WeakPolarHBondContact O-CE1 3.49Å
12R75Confident75.8Confident169 Ų16953 Ų5364%0.63826%0.263SS*.SBendtrans-73.5-30178.7-69.2-178.2178.8178.60.3111.8I42R12-I42 WeakPolarHBondContact O-CD1 3.41Å
13Y80.1Confident78Confident69 Ų6950.6 Ų50.627%0.27125%0.246SC..SBendtrans-123.8146.6-179.7-62.1-77.3000109.5D11 I42 V76 E78 I83D11-Y13 VanDerWaalsContact C-N 3.31Å; Y13-I42 HydrophobicContact CD1-CD1 4.36Å; Y13-I42 HydrophobicContact CE1-CD1 4.27Å; Y13-V76 HydrophobicContact CD1-CG1 4.22Å; Y13-V76 HydrophobicContact CG-CG1 4.18Å; Y13-E78 HydrophobicContact CD2-CB 4.44Å; Y13-E78 HydrophobicContact CD2-CG 4.17Å; Y13-E78 HydrophobicContact CE2-CB 4.42Å; Y13-I83 HydrophobicContact CD1-CD1 4.33Å
14P82.5Confident79.7Confident5 Ų542.6 Ų42.63%0.03221%0.209CC..PPolyproline II helixtrans-69.6155.2172.929.5-34.7000111.5V20 L36 Y39 V73 V76 I83P14-V20 HydrophobicContact CB-CG1 4.18Å; P14-L36 HydrophobicContact CG-CD2 4Å; P14-Y39 WeakPolarHBondContact CA-OH 2.94Å; P14-Y39 HydrophobicContact CB-CD2 4.5Å; P14-Y39 HydrophobicContact CB-CE1 4.33Å; P14-Y39 HydrophobicContact CB-CE2 3.74Å; P14-Y39 HydrophobicContact CG-CE2 4.29Å; P14-V73 HydrophobicContact CB-CG2 3.88Å; P14-V73 HydrophobicContact CG-CG1 4.31Å; P14-V73 HydrophobicContact CG-CG2 3.7Å; P14-V76 HydrophobicContact CG-CG2 4.49Å; P14-V76 WeakPolarHBondContact O-CG2 3.5Å; P14-I83 HydrophobicContact CG-CD1 4.15Å; P14-I83 HydrophobicContact CG-CG2 4.45Å
15D83.5Confident81Confident87 Ų8749.6 Ų49.647%0.46524%0.235SC..PPolyproline II helixtrans-74.5158.2172-57.9-64.5000111.4D18 K145D15-D18 WeakPolarHBondContact O-CB 3.01Å; D15-D18 PolarHBondContact O-N 3.08Å; D15-K145 IonicContact OD2-NZ 3.72Å; D15-K145 PolarHBondContact OD2-NZ 2.91Å
16I86Confident82.1Confident111 Ų11150.1 Ų50.157%0.56924%0.239SC*.THydrogen-bonded Turntrans-63.1138.6172-61.2163.6000109D18 I74I16-D18 VanDerWaalsContact C-N 3.27Å; I16-D18 PolarHBondContact O-N 2.9Å; I16-I74 VanDerWaalsContact CG2-O 3.31Å; I16-I74 WeakPolarHBondContact CG2-O 3.46Å
17E83.5Confident83.2Confident148 Ų14852.9 Ų52.969%0.69225%0.252SS*.THydrogen-bonded Turntrans71.14.7-175-62.5-178.3163.800116.3V73E17-V73 WeakPolarHBondContact CA-O 3.32Å; E17-V73 PolarHBondContact N-O 2.92Å
18D86.2Confident83.7Confident21 Ų2153.2 Ų53.211%0.11226%0.261CS..  trans-75.8145.8174.8-1567.2000112.1D15 I16 V72 V73 R101 K145D15-D18 WeakPolarHBondContact O-CB 3.01Å; D15-D18 PolarHBondContact O-N 3.08Å; I16-D18 VanDerWaalsContact C-N 3.27Å; I16-D18 PolarHBondContact O-N 2.9Å; D18-V72 WeakPolarHBondContact O-CA 3.5Å; D18-V73 PolarHBondContact O-N 3.29Å; D18-R101 IonicContact OD1-CZ 3.46Å; D18-R101 IonicContact OD1-NH1 2.69Å; D18-R101 PolarHBondContact OD1-NH1 3.01Å; D18-R101 IonicContact OD2-NH1 3.73Å; D18-K145 IonicContact OD2-NZ 3.67Å; D18-K145 PolarHBondContact OD2-NZ 3.38Å
19T86.5Confident84.3Confident17 Ų1760.6 Ų60.610%0.10430%0.296CS..EExtended strand (participates in β ladder)trans-93122.5176.255.10000109.2V71 V72 D94T19-V71 WeakPolarHBondContact CA-O 3.43Å; T19-V72 HydrophobicContact CG2-CG2 3.8Å; T19-D94 HydrophobicContact CG2-CB 4.02Å
20V88Confident84.7Confident0 Ų067.3 Ų67.30%033%0.33CS..EExtended strand (participates in β ladder)trans-129.5148.1-176.3-64.20000111.3P14 V22 L36 E38 Y39 V71 V73 L85P14-V20 HydrophobicContact CB-CG1 4.18Å; V20-V22 HydrophobicContact CG2-CG1 4.03Å; V20-L36 HydrophobicContact CB-CD2 4.46Å; V20-L36 HydrophobicContact CG2-CD2 3.98Å; V20-L36 HydrophobicContact CG2-CG 4.42Å; V20-E38 WeakPolarHBondContact CA-OE2 2.88Å; V20-Y39 HydrophobicContact CG1-CE2 3.9Å; V20-V71 HydrophobicContact CG2-CG2 3.97Å; V20-V71 PolarHBondContact N-O 3.03Å; V20-V71 PolarHBondContact O-N 3.25Å; V20-V73 HydrophobicContact CG1-CG2 4.35Å; V20-V73 HydrophobicContact CG2-CG2 3.93Å; V20-L85 HydrophobicContact CG2-CD2 4.16Å
21M88.1Confident85.3Confident13 Ų1366.2 Ų66.26%0.06432%0.321CS..EExtended strand (participates in β ladder)trans-87.8124174.9-174.9667500110.2L37 E38 C70 E99 F102M21-L37 PolarHBondContact O-N 2.91Å; M21-E38 PolarHBondContact N-OE2 2.87Å; M21-E38 VanDerWaalsContact N-OE2 3.08Å; M21-C70 WeakPolarHBondContact CE-SG 3.42Å; M21-E99 HydrophobicContact CE-CG 3.7Å; M21-F102 HydrophobicContact CB-CB 4.27Å; M21-F102 HydrophobicContact CB-CD1 4.29Å; M21-F102 HydrophobicContact CB-CD2 3.73Å; M21-F102 HydrophobicContact CB-CE2 4.11Å; M21-F102 HydrophobicContact CB-CG 3.83Å; M21-F102 HydrophobicContact CE-CD1 4.44Å; M21-F102 HydrophobicContact CG-CD1 4.06Å; M21-F102 HydrophobicContact CG-CD2 4.25Å; M21-F102 HydrophobicContact CG-CE1 4.12Å; M21-F102 HydrophobicContact CG-CE2 4.32Å; M21-F102 HydrophobicContact CG-CG 4.12Å; M21-F102 HydrophobicContact CG-CZ 4.26Å
22V90.8Very high85.9Confident0 Ų062.6 Ų62.60%030%0.302CS..EExtended strand (participates in β ladder)trans-124.4147.3-177.2-56.60000112V20 V34 S35 L36 S68 E69 V71 L85V20-V22 HydrophobicContact CG2-CG1 4.03Å; V22-V34 HydrophobicContact CB-CB 3.96Å; V22-V34 HydrophobicContact CB-CG2 3.87Å; V22-V34 HydrophobicContact CG1-CG2 4.16Å; V22-V34 HydrophobicContact CG2-CB 3.94Å; V22-V34 HydrophobicContact CG2-CG1 4.18Å; V22-V34 HydrophobicContact CG2-CG2 3.91Å; V22-S35 WeakPolarHBondContact CA-O 3.48Å; V22-L36 HydrophobicContact CG1-CB 4.5Å; V22-L36 HydrophobicContact CG1-CD1 4.32Å; V22-L36 HydrophobicContact CG1-CG 3.81Å; V22-S68 CarbonylContact O-C 3.54Å; V22-S68 WeakPolarHBondContact O-CA 3.23Å; V22-E69 HydrophobicContact CG2-CB 4.45Å; V22-E69 WeakPolarHBondContact CG2-O 3.45Å; V22-E69 PolarHBondContact N-O 3.07Å; V22-E69 PolarHBondContact O-N 2.88Å; V22-V71 HydrophobicContact CB-CG2 4.16Å; V22-V71 HydrophobicContact CG1-CG2 3.47Å; V22-V71 VanDerWaalsContact CG1-CG2 3.47Å; V22-V71 HydrophobicContact CG2-CB 4.44Å; V22-V71 HydrophobicContact CG2-CG1 3.98Å; V22-V71 HydrophobicContact CG2-CG2 3.56Å; V22-L85 HydrophobicContact CG1-CD1 4.11Å
23T91.3Very high86.6Confident31 Ų3159.1 Ų59.119%0.1929%0.289CS..EExtended strand (participates in β ladder)trans-107.2130.6172.3-61.50000109.9R25 V34 S35 L37 S68T23-R25 PolarHBondContact O-N 3.37Å; T23-V34 CarbonylContact O-C 3.49Å; T23-V34 VanDerWaalsContact O-CA 3.3Å; T23-V34 WeakPolarHBondContact O-CA 3.24Å; T23-S35 PolarHBondContact N-O 2.93Å; T23-S35 PolarHBondContact O-N 2.75Å; T23-L37 WeakPolarHBondContact OG1-CD1 3.41Å; T23-S68 PolarHBondContact OG1-OG 3.3Å
24V90.5Very high87.2Confident2 Ų255.9 Ų55.91%0.01228%0.277CS..EExtended strand (participates in β ladder)trans-76.9122.2-178.5-179.60000110.7I27 V34 I63 G66 R67V24-I27 HydrophobicContact CG1-CG1 4.29Å; V24-V34 HydrophobicContact CB-CG1 4.27Å; V24-V34 HydrophobicContact CG1-CG1 4.45Å; V24-V34 HydrophobicContact CG2-CG1 3.76Å; V24-I63 HydrophobicContact CB-CG2 3.82Å; V24-I63 HydrophobicContact CG1-CG2 3.51Å; V24-I63 HydrophobicContact CG2-CG2 3.39Å; V24-G66 PolarHBondContact O-N 3.39Å; V24-R67 PolarHBondContact N-O 3.37Å; V24-R67 VanDerWaalsContact N-O 3.14Å
25R89.8Confident87.5Confident159 Ų15956.3 Ų56.360%0.628%0.28SS*.EExtended strand (participates in β ladder)trans-94-49.6-179.3-166.3-179.8-163.1-17910.2112.1T23 Y33 E43 V65T23-R25 PolarHBondContact O-N 3.37Å; R25-Y33 PolarHBondContact N-O 3.29Å; R25-E43 IonicContact CZ-OE1 3.98Å; R25-E43 IonicContact NH1-OE1 2.75Å; R25-E43 PolarHBondContact NH1-OE1 3.48Å; R25-V65 VanDerWaalsContact O-CG1 3.26Å; R25-V65 WeakPolarHBondContact O-CG1 3.31Å
26S88.9Confident87.7Confident53 Ų5352.2 Ų52.237%0.37126%0.258SS..EExtended strand (participates in β ladder)trans-150.2153.6179.967.50000111.4Y33S26-Y33 PolarHBondContact N-O 3.12Å; S26-Y33 PolarHBondContact O-N 3.24Å
27I86.9Confident87.6Confident59 Ų5949.3 Ų49.330%0.30324%0.244SC..EExtended strand (participates in β ladder)trans-112.3122.6177.1-56.4171.4000106.8V24 V59 I63 V65V24-I27 HydrophobicContact CG1-CG1 4.29Å; I27-V59 HydrophobicContact CG2-CG1 3.97Å; I27-I63 HydrophobicContact CD1-CG2 4.19Å; I27-V65 HydrophobicContact CD1-CG2 4.16Å; I27-V65 HydrophobicContact CG1-CG2 4.2Å
28A87.1Confident87.4Confident35 Ų3542.4 Ų42.429%0.28921%0.211SC..  trans-111.7168.1176.400000111M30 G31 Y33A28-M30 PolarHBondContact O-N 3.35Å; A28-G31 CarbonylContact C-O 3.54Å; A28-G31 WeakPolarHBondContact CA-O 3.41Å; A28-G31 WeakPolarHBondContact CB-O 3.45Å; A28-G31 PolarHBondContact N-O 2.98Å; A28-G31 PolarHBondContact O-N 3.1Å; A28-Y33 HydrophobicContact CB-CD2 4.13Å; A28-Y33 HydrophobicContact CB-CE2 3.72Å
29E82.9Confident87.1Confident184 Ų18441.5 Ų41.586%0.8621%0.206SC*.SBendtrans-64.6-26-179.3-66-173.6166.800113.5L48E29-L48 WeakPolarHBondContact O-CD1 3.41Å
30M82.3Confident86.8Confident147 Ų14743.9 Ų43.972%0.72422%0.218SC*.SBendtrans-94.7-18-179.1-63.3-66.4179.700113.3A28 M45 L48A28-M30 PolarHBondContact O-N 3.35Å; M30-M45 HydrophobicContact CB-CE 3.94Å; M30-L48 VanDerWaalsContact C-CD1 3.43Å
31G85.5Confident86.5Confident1 Ų147.6 Ų47.61%0.0124%0.238CC..EExtended strand (participates in β ladder)trans172.2177-174.500000112.9A28 I46A28-G31 CarbonylContact C-O 3.54Å; A28-G31 WeakPolarHBondContact CA-O 3.41Å; A28-G31 WeakPolarHBondContact CB-O 3.45Å; A28-G31 PolarHBondContact N-O 2.98Å; A28-G31 PolarHBondContact O-N 3.1Å; G31-I46 CarbonylContact C-O 3.56Å; G31-I46 WeakPolarHBondContact CA-O 3.47Å
32A88.4Confident86.4Confident4 Ų448.9 Ų48.93%0.03325%0.245CC..EExtended strand (participates in β ladder)trans-101.2127.6172.900000110I46 I63A32-I46 HydrophobicContact CB-CB 4.42Å; A32-I46 PolarHBondContact N-O 2.98Å; A32-I46 PolarHBondContact O-N 3.27Å; A32-I63 HydrophobicContact CB-CD1 4.19Å
33Y90.8Very high86.3Confident95 Ų9553.8 Ų53.837%0.37327%0.268SS..EExtended strand (participates in β ladder)trans-84.2127.9170.5-66.6-79.4000109.2R25 S26 A28 G44R25-Y33 PolarHBondContact N-O 3.29Å; S26-Y33 PolarHBondContact N-O 3.12Å; S26-Y33 PolarHBondContact O-N 3.24Å; A28-Y33 HydrophobicContact CB-CD2 4.13Å; A28-Y33 HydrophobicContact CB-CE2 3.72Å; Y33-G44 WeakPolarHBondContact CA-O 3.37Å
34V91.6Very high86.2Confident1 Ų152.4 Ų52.41%0.00626%0.26CS..EExtended strand (participates in β ladder)trans-128.2152.2-177.9-55.70000109.7V22 T23 V24 E43 G44 I46 L85V22-V34 HydrophobicContact CB-CB 3.96Å; V22-V34 HydrophobicContact CB-CG2 3.87Å; V22-V34 HydrophobicContact CG1-CG2 4.16Å; V22-V34 HydrophobicContact CG2-CB 3.94Å; V22-V34 HydrophobicContact CG2-CG1 4.18Å; V22-V34 HydrophobicContact CG2-CG2 3.91Å; T23-V34 CarbonylContact O-C 3.49Å; T23-V34 VanDerWaalsContact O-CA 3.3Å; T23-V34 WeakPolarHBondContact O-CA 3.24Å; V24-V34 HydrophobicContact CB-CG1 4.27Å; V24-V34 HydrophobicContact CG1-CG1 4.45Å; V24-V34 HydrophobicContact CG2-CG1 3.76Å; V34-E43 CarbonylContact O-C 3.59Å; V34-E43 WeakPolarHBondContact O-CA 3.37Å; V34-G44 PolarHBondContact N-O 2.94Å; V34-G44 PolarHBondContact O-N 3.47Å; V34-I46 HydrophobicContact CG1-CD1 3.5Å; V34-I46 HydrophobicContact CG1-CG1 4.12Å; V34-I46 HydrophobicContact CG2-CD1 4.25Å; V34-I46 HydrophobicContact CG2-CG1 4.24Å; V34-L85 HydrophobicContact CG2-CD1 3.21Å
35S90.1Very high86.2Confident15 Ų1554.4 Ų54.411%0.10527%0.269CS..EExtended strand (participates in β ladder)trans-106.8126.4174.3-63.60000108.8V22 T23 L37 I42V22-S35 WeakPolarHBondContact CA-O 3.48Å; T23-S35 PolarHBondContact N-O 2.93Å; T23-S35 PolarHBondContact O-N 2.75Å; S35-L37 PolarHBondContact O-N 2.48Å; S35-I42 WeakPolarHBondContact CA-O 3.35Å
36L87.7Confident86.2Confident0 Ų047 Ų470%024%0.241CC..EExtended strand (participates in β ladder)trans-79.1108.1175.2-71.678.3000109P14 V20 V22 E38 Y39 D41 I42 I83 L85P14-L36 HydrophobicContact CG-CD2 4Å; V20-L36 HydrophobicContact CB-CD2 4.46Å; V20-L36 HydrophobicContact CG2-CD2 3.98Å; V20-L36 HydrophobicContact CG2-CG 4.42Å; V22-L36 HydrophobicContact CG1-CB 4.5Å; V22-L36 HydrophobicContact CG1-CD1 4.32Å; V22-L36 HydrophobicContact CG1-CG 3.81Å; L36-E38 PolarHBondContact O-N 2.98Å; L36-Y39 HydrophobicContact CB-CD2 4.39Å; L36-Y39 HydrophobicContact CD2-CD2 3.95Å; L36-Y39 PolarHBondContact O-N 3.39Å; L36-D41 VanDerWaalsContact O-CA 3.31Å; L36-D41 WeakPolarHBondContact O-CA 3.28Å; L36-D41 PolarHBondContact O-N 3.02Å; L36-I42 VanDerWaalsContact CD1-O 3.29Å; L36-I42 WeakPolarHBondContact CD1-O 3.24Å; L36-I42 PolarHBondContact N-O 2.98Å; L36-I83 HydrophobicContact CD1-CD1 4.16Å; L36-I83 HydrophobicContact CD2-CD1 4Å; L36-L85 HydrophobicContact CD1-CD1 4.09Å
37L82.4Confident86.2Confident51 Ų5147.8 Ų47.827%0.26724%0.242SC..G310 helixtrans-62.6-32-178.9-68.5173.4000112F8 M21 T23 S35 Y39 F102F8-L37 VanDerWaalsContact CE2-O 3.26Å; F8-L37 WeakPolarHBondContact CE2-O 3.31Å; M21-L37 PolarHBondContact O-N 2.91Å; T23-L37 WeakPolarHBondContact OG1-CD1 3.41Å; S35-L37 PolarHBondContact O-N 2.48Å; L37-Y39 VanDerWaalsContact C-N 3.33Å; L37-Y39 PolarHBondContact O-N 3.43Å; L37-F102 HydrophobicContact CB-CE2 3.97Å; L37-F102 HydrophobicContact CB-CZ 4.15Å; L37-F102 HydrophobicContact CD1-CE2 4.33Å; L37-F102 HydrophobicContact CD1-CZ 3.75Å
38E79.2Confident86Confident2 Ų247.6 Ų47.61%0.00924%0.241CC..G310 helixtrans-73.5-22.5-175.3-66.6179.1103.100113.8F8 Y9 V20 M21 L36 F102F8-E38 WeakPolarHBondContact CB-O 3.43Å; F8-E38 VanDerWaalsContact CD2-CA 3.48Å; F8-E38 HydrophobicContact CD2-CB 4.48Å; F8-E38 VanDerWaalsContact CD2-O 3.31Å; F8-E38 WeakPolarHBondContact CD2-O 3.3Å; F8-E38 PolarHBondContact N-O 3.25Å; Y9-E38 HydrophobicContact CD2-CB 4.29Å; Y9-E38 HydrophobicContact CE2-CB 3.83Å; Y9-E38 HydrophobicContact CE2-CG 4.18Å; Y9-E38 VanDerWaalsContact CE2-OE1 3.28Å; Y9-E38 WeakPolarHBondContact CE2-OE1 3.5Å; Y9-E38 PolarHBondContact OH-OE1 3.42Å; V20-E38 WeakPolarHBondContact CA-OE2 2.88Å; M21-E38 PolarHBondContact N-OE2 2.87Å; M21-E38 VanDerWaalsContact N-OE2 3.08Å; L36-E38 PolarHBondContact O-N 2.98Å; E38-F102 HydrophobicContact CG-CD2 3.55Å; E38-F102 HydrophobicContact CG-CE2 3.79Å
39Y80.5Confident85.8Confident3 Ų350.3 Ų50.31%0.01226%0.258CS..G310 helixtrans-117.736-172.8-64.4-91.5000112Y9 D11 P14 V20 L36 L37 I42Y9-Y39 AromaticContact CD2-CE1 3.97Å; Y9-Y39 HydrophobicContact CD2-CE1 3.97Å; Y9-Y39 HydrophobicContact CD2-CE2 4.01Å; Y9-Y39 AromaticContact CD2-CZ 3.59Å; Y9-Y39 HydrophobicContact CE2-CE2 4.3Å; D11-Y39 WeakPolarHBondContact O-CD1 3.49Å; D11-Y39 WeakPolarHBondContact O-CE1 3.49Å; P14-Y39 WeakPolarHBondContact CA-OH 2.94Å; P14-Y39 HydrophobicContact CB-CD2 4.5Å; P14-Y39 HydrophobicContact CB-CE1 4.33Å; P14-Y39 HydrophobicContact CB-CE2 3.74Å; P14-Y39 HydrophobicContact CG-CE2 4.29Å; V20-Y39 HydrophobicContact CG1-CE2 3.9Å; L36-Y39 HydrophobicContact CB-CD2 4.39Å; L36-Y39 HydrophobicContact CD2-CD2 3.95Å; L36-Y39 PolarHBondContact O-N 3.39Å; L37-Y39 VanDerWaalsContact C-N 3.33Å; L37-Y39 PolarHBondContact O-N 3.43Å; Y39-I42 VanDerWaalsContact O-CD1 3.25Å; Y39-I42 WeakPolarHBondContact O-CD1 3.49Å; Y39-I42 WeakPolarHBondContact O-CG1 3.37Å
40N80.4Confident85.8Confident67 Ų6742.7 Ų42.736%0.35822%0.222SC..THydrogen-bonded Turntrans6543.3178.6-152.619.1000114S5 R7 I42S5-N40 VanDerWaalsContact CB-OD1 3.3Å; S5-N40 WeakPolarHBondContact CB-OD1 3.04Å; S5-N40 PolarHBondContact O-ND2 3.31Å; S5-N40 PolarHBondContact O-OD1 3.23Å; S5-N40 PolarHBondContact OG-OD1 3.32Å; R7-N40 HydrophobicContact CB-CB 4.31Å; N40-I42 VanDerWaalsContact C-N 3.28Å; N40-I42 PolarHBondContact O-N 2.97Å
41D81.3Confident85.8Confident78 Ų7836 Ų3642%0.41719%0.189SC..SBendtrans60.629.8176.2-62.3-46.8000115L36 E43L36-D41 VanDerWaalsContact O-CA 3.31Å; L36-D41 WeakPolarHBondContact O-CA 3.28Å; L36-D41 PolarHBondContact O-N 3.02Å; D41-E43 PolarHBondContact O-N 3.08Å
42I85.7Confident85.4Confident40 Ų4037.7 Ų37.721%0.20520%0.201CC..EExtended strand (participates in β ladder)trans-55.8138170.8-67.1167.5000109.5R12 Y13 S35 L36 Y39 N40 I83R12-I42 WeakPolarHBondContact O-CD1 3.41Å; Y13-I42 HydrophobicContact CD1-CD1 4.36Å; Y13-I42 HydrophobicContact CE1-CD1 4.27Å; S35-I42 WeakPolarHBondContact CA-O 3.35Å; L36-I42 VanDerWaalsContact CD1-O 3.29Å; L36-I42 WeakPolarHBondContact CD1-O 3.24Å; L36-I42 PolarHBondContact N-O 2.98Å; Y39-I42 VanDerWaalsContact O-CD1 3.25Å; Y39-I42 WeakPolarHBondContact O-CD1 3.49Å; Y39-I42 WeakPolarHBondContact O-CG1 3.37Å; N40-I42 VanDerWaalsContact C-N 3.28Å; N40-I42 PolarHBondContact O-N 2.97Å; I42-I83 HydrophobicContact CG2-CD1 3.67Å; I42-I83 HydrophobicContact CG2-CG1 4.49Å
43E88.9Confident84.8Confident102 Ų10245.2 Ų45.248%0.47723%0.228SC..EExtended strand (participates in β ladder)trans-78.2127179.3-59.9-169.1150.400110.5R25 V34 D41R25-E43 IonicContact CZ-OE1 3.98Å; R25-E43 IonicContact NH1-OE1 2.75Å; R25-E43 PolarHBondContact NH1-OE1 3.48Å; V34-E43 CarbonylContact O-C 3.59Å; V34-E43 WeakPolarHBondContact O-CA 3.37Å; D41-E43 PolarHBondContact O-N 3.08Å
44G89.9Confident84.2Confident2 Ų250.8 Ų50.82%0.02125%0.249CC..EExtended strand (participates in β ladder)trans-117.5159.1170.100000110.9Y33 V34 I83Y33-G44 WeakPolarHBondContact CA-O 3.37Å; V34-G44 PolarHBondContact N-O 2.94Å; V34-G44 PolarHBondContact O-N 3.47Å; G44-I83 WeakPolarHBondContact CA-O 3.43Å
45M90.5Very high83.4Confident44 Ų4462.5 Ų62.522%0.21729%0.293CS..EExtended strand (participates in β ladder)trans-119.5127.7177.8-170.3178.8-174.500110.2M30 I83 L85M30-M45 HydrophobicContact CB-CE 3.94Å; M45-I83 PolarHBondContact N-O 2.81Å; M45-L85 PolarHBondContact O-N 3.09Å
46I90.1Very high82.6Confident3 Ų364.3 Ų64.32%0.01530%0.301CS..EExtended strand (participates in β ladder)trans-100.3117.9169.4-57.4167.8000108.1G31 A32 V34 L51 I63 V71 L85G31-I46 CarbonylContact C-O 3.56Å; G31-I46 WeakPolarHBondContact CA-O 3.47Å; A32-I46 HydrophobicContact CB-CB 4.42Å; A32-I46 PolarHBondContact N-O 2.98Å; A32-I46 PolarHBondContact O-N 3.27Å; V34-I46 HydrophobicContact CG1-CD1 3.5Å; V34-I46 HydrophobicContact CG1-CG1 4.12Å; V34-I46 HydrophobicContact CG2-CD1 4.25Å; V34-I46 HydrophobicContact CG2-CG1 4.24Å; I46-L51 HydrophobicContact CG2-CD1 4.47Å; I46-I63 HydrophobicContact CD1-CD1 4.44Å; I46-V71 HydrophobicContact CD1-CG1 3.84Å; I46-L85 HydrophobicContact CG1-CB 3.68Å; I46-L85 HydrophobicContact CG1-CD1 4.35Å
47L87.5Confident82.1Confident71 Ų7176.2 Ų76.237%0.37235%0.346SS..EExtended strand (participates in β ladder)trans-68141.9172.5-87.270.3000110.4S49 E50 L51L47-S49 PolarHBondContact O-N 3.4Å; L47-E50 HydrophobicContact CB-CB 4.34Å; L47-E50 HydrophobicContact CB-CG 4.47Å; L47-E50 CarbonylContact O-C 3.45Å; L47-E50 WeakPolarHBondContact O-CA 3.39Å; L47-E50 PolarHBondContact O-N 3.43Å; L47-L51 PolarHBondContact O-N 3.37Å
48L83Confident81.8Confident54 Ų5477.2 Ų77.228%0.28336%0.357SS..G310 helixtrans-56.2-34.7176.3-75.5138.6000112.9E29 M30 E50 L51 V59E29-L48 WeakPolarHBondContact O-CD1 3.41Å; M30-L48 VanDerWaalsContact C-CD1 3.43Å; L48-E50 PolarHBondContact O-N 2.86Å; L48-L51 WeakPolarHBondContact O-CB 3.41Å; L48-L51 PolarHBondContact O-N 3.29Å; L48-V59 HydrophobicContact CD2-CG1 4.37Å; L48-V59 HydrophobicContact CD2-CG2 3.54Å
49S82.9Confident81.7Confident93 Ų9378.7 Ų78.765%0.6537%0.366SS*.G310 helixtrans-67.3-23.2176.1-57.60000113.3L47L47-S49 PolarHBondContact O-N 3.4Å
50E83.1Confident81.6Confident24 Ų2484.1 Ų84.111%0.11240%0.395CS..G310 helixtrans-101.36179-72.7-64.416600112.4L47 L48 I74 S86 K87 R88L47-E50 HydrophobicContact CB-CB 4.34Å; L47-E50 HydrophobicContact CB-CG 4.47Å; L47-E50 CarbonylContact O-C 3.45Å; L47-E50 WeakPolarHBondContact O-CA 3.39Å; L47-E50 PolarHBondContact O-N 3.43Å; L48-E50 PolarHBondContact O-N 2.86Å; E50-I74 HydrophobicContact CG-CD1 4.04Å; E50-S86 PolarHBondContact O-OG 2.83Å; E50-S86 WeakPolarHBondContact OE2-CB 3.44Å; E50-S86 PolarHBondContact OE2-OG 2.78Å; E50-K87 PolarHBondContact O-N 2.91Å; E50-R88 WeakPolarHBondContact O-CB 3.32Å; E50-R88 PolarHBondContact O-N 2.64Å; E50-R88 IonicContact OE1-CZ 2.9Å; E50-R88 IonicContact OE1-NE 2.64Å; E50-R88 IonicContact OE1-NH2 3.19Å; E50-R88 PolarHBondContact OE1-NH2 3.01Å; E50-R88 WeakPolarHBondContact OE2-CB 3.43Å; E50-R88 IonicContact OE2-CZ 2.96Å; E50-R88 IonicContact OE2-NE 3.15Å; E50-R88 PolarHBondContact OE2-NE 3.44Å; E50-R88 IonicContact OE2-NH2 2.7Å
51L81.8Confident81.5Confident7 Ų789.5 Ų89.54%0.03742%0.415CS..THydrogen-bonded Turntrans-80.8-37.4178.9-176.655.4000113.2I46 L47 L48 I56 V59 L62 I63 K87I46-L51 HydrophobicContact CG2-CD1 4.47Å; L47-L51 PolarHBondContact O-N 3.37Å; L48-L51 WeakPolarHBondContact O-CB 3.41Å; L48-L51 PolarHBondContact O-N 3.29Å; L51-I56 HydrophobicContact CB-CD1 4.31Å; L51-I56 HydrophobicContact CD2-CD1 4.36Å; L51-V59 HydrophobicContact CD2-CG1 3.93Å; L51-L62 HydrophobicContact CD2-CB 4.34Å; L51-L62 HydrophobicContact CG-CD2 4.25Å; L51-I63 HydrophobicContact CD1-CD1 3.14Å; L51-I63 HydrophobicContact CD1-CG1 3.67Å; L51-I63 HydrophobicContact CD2-CD1 3.95Å; L51-I63 HydrophobicContact CD2-CG1 4.3Å; L51-I63 HydrophobicContact CG-CD1 4.18Å; L51-K87 HydrophobicContact CD1-CB 4.23Å; L51-K87 HydrophobicContact CD1-CD 3.84Å
52S78.3Confident81.4Confident36 Ų3688.5 Ų88.525%0.25241%0.41SS..  trans-151.3151.2-177.5-171.50000112.1R54S52-R54 VanDerWaalsContact C-N 3.33Å; S52-R54 PolarHBondContact OG-N 2.96Å
53R75.7Confident81.2Confident162 Ų16286.7 Ų86.761%0.61140%0.401SS*.SBendtrans-75-23.1171.3-62.5-177.5-173.7-169.93.4112.3R88R53-R88 HydrophobicContact CB-CG 4.44Å; R53-R88 HydrophobicContact CG-CG 3.43Å; R53-R88 VanDerWaalsContact CG-CG 3.43Å; R53-R88 PolarHBondContact NE-O 3.13Å; R53-R88 PolarHBondContact NH2-O 3.2Å
54R78.7Confident80.9Confident212 Ų21288.4 Ų88.480%0.840%0.403SS*.SBendtrans-101.8156.9-176.7-64-175.9-174.4-178.4-2.4111.1S52 I56S52-R54 VanDerWaalsContact C-N 3.33Å; S52-R54 PolarHBondContact OG-N 2.96Å; R54-I56 PolarHBondContact O-N 3.42Å
55R74.4Confident80.8Confident247 Ų24792.7 Ų92.793%0.93243%0.428SS*.PPolyproline II helixtrans-58123.4173.2-168.9177.8-176.1111.6-0.3109.6
56I72.8Confident80.7Confident52 Ų5293.1 Ų93.127%0.26744%0.444SS..PPolyproline II helixtrans-79.8122.8-176-56.9163.9000108.4L51 R54 V59L51-I56 HydrophobicContact CB-CD1 4.31Å; L51-I56 HydrophobicContact CD2-CD1 4.36Å; R54-I56 PolarHBondContact O-N 3.42Å; I56-V59 HydrophobicContact CG2-CG2 4.19Å
57R77.1Confident80.6Confident251 Ų25199.1 Ų99.195%0.94747%0.466SS*.SBendtrans-76-44.5169.5-71.8-172-172.4176.62.8111.1
58S75.3Confident80.6Confident72 Ų7298.8 Ų98.850%0.50347%0.47SS..  trans-150.5131.5176.7-52.80000110.2N60 K61S58-N60 VanDerWaalsContact C-N 3.31Å; S58-N60 PolarHBondContact O-N 2.99Å; S58-K61 PolarHBondContact O-N 2.75Å
59V77.5Confident80.9Confident33 Ų3398 Ų9820%0.247%0.465CS..Hα-helixtrans-63.8-39.2179.9-177.70000110.8I27 L48 L51 I56 K61 L62 I63I27-V59 HydrophobicContact CG2-CG1 3.97Å; L48-V59 HydrophobicContact CD2-CG1 4.37Å; L48-V59 HydrophobicContact CD2-CG2 3.54Å; L51-V59 HydrophobicContact CD2-CG1 3.93Å; I56-V59 HydrophobicContact CG2-CG2 4.19Å; V59-K61 PolarHBondContact O-N 2.94Å; V59-L62 PolarHBondContact O-N 2.97Å; V59-I63 PolarHBondContact O-N 3.13Å; V59-I63 VanDerWaalsContact O-N 3.08Å
60N78.6Confident81.2Confident116 Ų11693.9 Ų93.962%0.6244%0.436SS*.Hα-helixtrans-60.7-18180-64.333.1000114.4S58 I63S58-N60 VanDerWaalsContact C-N 3.31Å; S58-N60 PolarHBondContact O-N 2.99Å; N60-I63 CarbonylContact C-O 3.57Å; N60-I63 WeakPolarHBondContact CA-O 3.33Å
61K79.2Confident81.5Confident180 Ų18092.8 Ų92.878%0.78343%0.431SS*.Hα-helixtrans-80.9-32.1176-168.3170.7-176.9173.60111.8S58 V59S58-K61 PolarHBondContact O-N 2.75Å; V59-K61 PolarHBondContact O-N 2.94Å
62L77.5Confident81.9Confident58 Ų5893 Ų9330%0.30443%0.433SS..Hα-helixtrans-90-32.3-177.3-85.578.4000113L51 V59 K87L51-L62 HydrophobicContact CD2-CB 4.34Å; L51-L62 HydrophobicContact CG-CD2 4.25Å; V59-L62 PolarHBondContact O-N 2.97Å; L62-K87 PolarHBondContact O-NZ 3.21Å
63I81.6Confident82.5Confident2 Ų291.3 Ų91.31%0.0142%0.421CS..  trans-129.9130.2178.2-71.9-178.4000107.9V24 I27 A32 I46 L51 V59 N60V24-I63 HydrophobicContact CB-CG2 3.82Å; V24-I63 HydrophobicContact CG1-CG2 3.51Å; V24-I63 HydrophobicContact CG2-CG2 3.39Å; I27-I63 HydrophobicContact CD1-CG2 4.19Å; A32-I63 HydrophobicContact CB-CD1 4.19Å; I46-I63 HydrophobicContact CD1-CD1 4.44Å; L51-I63 HydrophobicContact CD1-CD1 3.14Å; L51-I63 HydrophobicContact CD1-CG1 3.67Å; L51-I63 HydrophobicContact CD2-CD1 3.95Å; L51-I63 HydrophobicContact CD2-CG1 4.3Å; L51-I63 HydrophobicContact CG-CD1 4.18Å; V59-I63 PolarHBondContact O-N 3.13Å; V59-I63 VanDerWaalsContact O-N 3.08Å; N60-I63 CarbonylContact C-O 3.57Å; N60-I63 WeakPolarHBondContact CA-O 3.33Å
64R83.6Confident83.2Confident138 Ų13885.8 Ų85.852%0.52140%0.403SS..  trans-112.7138.7166.2-59.4-168.4-175.3176-3.4108.9G66 R67R64-G66 PolarHBondContact O-N 3.41Å; R64-R67 HydrophobicContact CB-CG 4.03Å; R64-R67 VanDerWaalsContact NH1-NH2 3.12Å; R64-R67 PolarHBondContact O-N 3.25Å; R64-R67 VanDerWaalsContact O-N 3.15Å
65V88.6Confident83.7Confident91 Ų9183.2 Ų83.255%0.55239%0.393SS*.THydrogen-bonded Turntrans-57.4135.1173179.80000109R25 I27 R67R25-V65 VanDerWaalsContact O-CG1 3.26Å; R25-V65 WeakPolarHBondContact O-CG1 3.31Å; I27-V65 HydrophobicContact CD1-CG2 4.16Å; I27-V65 HydrophobicContact CG1-CG2 4.2Å; V65-R67 VanDerWaalsContact C-N 3.32Å; V65-R67 PolarHBondContact O-N 2.97Å
66G86.9Confident84.3Confident53 Ų5372.9 Ų72.955%0.54636%0.357SS..THydrogen-bonded Turntrans83-4.8-17800000115.6V24 R64V24-G66 PolarHBondContact O-N 3.39Å; R64-G66 PolarHBondContact O-N 3.41Å
67R88.7Confident85.1Confident129 Ų12972.5 Ų72.549%0.48736%0.356SS..  trans-84.3143.9170.8-71.5-168.5175.5173.8-8.6111.1V24 R64 V65V24-R67 PolarHBondContact N-O 3.37Å; V24-R67 VanDerWaalsContact N-O 3.14Å; R64-R67 HydrophobicContact CB-CG 4.03Å; R64-R67 VanDerWaalsContact NH1-NH2 3.12Å; R64-R67 PolarHBondContact O-N 3.25Å; R64-R67 VanDerWaalsContact O-N 3.15Å; V65-R67 VanDerWaalsContact C-N 3.32Å; V65-R67 PolarHBondContact O-N 2.97Å
68S88.5Confident85.4Confident64 Ų6467.1 Ų67.145%0.44834%0.341SS..EExtended strand (participates in β ladder)trans-85.2138170.6-51.40000110.1V22 T23V22-S68 CarbonylContact O-C 3.54Å; V22-S68 WeakPolarHBondContact O-CA 3.23Å; T23-S68 PolarHBondContact OG1-OG 3.3Å
69E88Confident85.9Confident38 Ų3871.3 Ų71.318%0.17836%0.358CS..EExtended strand (participates in β ladder)trans-137.1143.2-178.1-70.1-74.3-171.700109V22 K87V22-E69 HydrophobicContact CG2-CB 4.45Å; V22-E69 WeakPolarHBondContact CG2-O 3.45Å; V22-E69 PolarHBondContact N-O 3.07Å; V22-E69 PolarHBondContact O-N 2.88Å; E69-K87 IonicContact OE1-NZ 3.29Å; E69-K87 PolarHBondContact OE1-NZ 3.25Å; E69-K87 WeakPolarHBondContact OE2-CE 3.41Å; E69-K87 IonicContact OE2-NZ 3.85Å; E69-K87 PolarHBondContact OE2-NZ 3.05Å
70C88.5Confident86.1Confident6 Ų676.6 Ų76.64%0.04138%0.378CS..EExtended strand (participates in β ladder)trans-84.1131.4171.7-64.50000109.5M21 L95M21-C70 WeakPolarHBondContact CE-SG 3.42Å; C70-L95 HydrophobicContact CB-CD2 4.26Å; C70-L95 HydrophobicContact CB-CG 4.22Å
71V90Very high86.2Confident1 Ų172 Ų721%0.00636%0.358CS..EExtended strand (participates in β ladder)trans-139.5156.4179.1-65.70000110.8T19 V20 V22 I46 L85 K87T19-V71 WeakPolarHBondContact CA-O 3.43Å; V20-V71 HydrophobicContact CG2-CG2 3.97Å; V20-V71 PolarHBondContact N-O 3.03Å; V20-V71 PolarHBondContact O-N 3.25Å; V22-V71 HydrophobicContact CB-CG2 4.16Å; V22-V71 HydrophobicContact CG1-CG2 3.47Å; V22-V71 VanDerWaalsContact CG1-CG2 3.47Å; V22-V71 HydrophobicContact CG2-CB 4.44Å; V22-V71 HydrophobicContact CG2-CG1 3.98Å; V22-V71 HydrophobicContact CG2-CG2 3.56Å; I46-V71 HydrophobicContact CD1-CG1 3.84Å; V71-L85 HydrophobicContact CB-CB 4.35Å; V71-L85 HydrophobicContact CG2-CB 4.13Å; V71-L85 HydrophobicContact CG2-CD1 4.08Å; V71-L85 HydrophobicContact CG2-CD2 3.92Å; V71-L85 HydrophobicContact CG2-CG 4.27Å; V71-K87 HydrophobicContact CG1-CB 4.26Å
72V90.6Very high86.6Confident13 Ų1370.8 Ų70.88%0.07935%0.349CS..EExtended strand (participates in β ladder)trans-100.9138.6174.4174.70000109.7D18 T19 L85 S86 V90D18-V72 WeakPolarHBondContact O-CA 3.5Å; T19-V72 HydrophobicContact CG2-CG2 3.8Å; V72-L85 CarbonylContact O-C 3.48Å; V72-L85 WeakPolarHBondContact O-CA 3.32Å; V72-S86 PolarHBondContact N-O 3.44Å; V72-S86 PolarHBondContact O-N 3.4Å; V72-V90 HydrophobicContact CG2-CG2 3.96Å
73V90.6Very high87.1Confident0 Ų068.1 Ų68.10%034%0.335CS..EExtended strand (participates in β ladder)trans-76.7121.6172.6-178.50000109.8P14 E17 D18 V20 V76 I83 L85P14-V73 HydrophobicContact CB-CG2 3.88Å; P14-V73 HydrophobicContact CG-CG1 4.31Å; P14-V73 HydrophobicContact CG-CG2 3.7Å; E17-V73 WeakPolarHBondContact CA-O 3.32Å; E17-V73 PolarHBondContact N-O 2.92Å; D18-V73 PolarHBondContact O-N 3.29Å; V20-V73 HydrophobicContact CG1-CG2 4.35Å; V20-V73 HydrophobicContact CG2-CG2 3.93Å; V73-V76 HydrophobicContact CG1-CG2 3.42Å; V73-V76 VanDerWaalsContact CG1-CG2 3.42Å; V73-I83 HydrophobicContact CG1-CG2 3.98Å; V73-I83 HydrophobicContact CG2-CG2 4.35Å; V73-L85 HydrophobicContact CB-CD2 4.37Å; V73-L85 HydrophobicContact CG2-CD2 3.69Å
74I90.1Very high87.6Confident45 Ų4570.5 Ų70.523%0.23135%0.348CS..EExtended strand (participates in β ladder)trans-92.7-46.9175.6-64.6178.5000110.3I16 E50 D84I16-I74 VanDerWaalsContact CG2-O 3.31Å; I16-I74 WeakPolarHBondContact CG2-O 3.46Å; E50-I74 HydrophobicContact CG-CD1 4.04Å; I74-D84 PolarHBondContact N-O 3.44Å
75R88.9Confident87.9Confident159 Ų15964 Ų6460%0.632%0.324SS*.EExtended strand (participates in β ladder)trans-146.4139.3-172.4-170179.6-177.9-172.8-0.5109.8D84R75-D84 HydrophobicContact CB-CB 4.16Å; R75-D84 PolarHBondContact N-O 3.2Å; R75-D84 PolarHBondContact O-N 3.37Å
76V88.6Confident88Confident29 Ų2959.7 Ų59.718%0.17630%0.298CS..EExtended strand (participates in β ladder)trans-122.9129.5174.6-178.30000107.9Y13 P14 V73 E78 I83Y13-V76 HydrophobicContact CD1-CG1 4.22Å; Y13-V76 HydrophobicContact CG-CG1 4.18Å; P14-V76 HydrophobicContact CG-CG2 4.49Å; P14-V76 WeakPolarHBondContact O-CG2 3.5Å; V73-V76 HydrophobicContact CG1-CG2 3.42Å; V73-V76 VanDerWaalsContact CG1-CG2 3.42Å; V76-E78 HydrophobicContact CG1-CG 4.15Å; V76-I83 HydrophobicContact CG2-CG2 4.39Å
77D89.5Confident87.9Confident45 Ų4559.6 Ų59.624%0.24128%0.282CS..EExtended strand (participates in β ladder)trans-109.397.6168.9-170.4-28.5000107.1D79 K80 G81 Y82D77-D79 VanDerWaalsContact C-N 3.27Å; D77-D79 PolarHBondContact O-N 3.39Å; D77-D79 PolarHBondContact OD1-N 2.99Å; D77-K80 PolarHBondContact O-N 2.85Å; D77-K80 PolarHBondContact OD1-N 3.07Å; D77-G81 WeakPolarHBondContact O-CA 3.28Å; D77-G81 PolarHBondContact O-N 2.95Å; D77-Y82 PolarHBondContact N-O 3.08Å; D77-Y82 PolarHBondContact O-N 2.97Å
78E83.5Confident87.7Confident138 Ų13858 Ų5865%0.64528%0.276SS*.THydrogen-bonded Turntrans-65.8-29.4-176-62.7-177.2169.100112.4Y13 V76Y13-E78 HydrophobicContact CD2-CB 4.44Å; Y13-E78 HydrophobicContact CD2-CG 4.17Å; Y13-E78 HydrophobicContact CE2-CB 4.42Å; V76-E78 HydrophobicContact CG1-CG 4.15Å
79D84.2Confident87.3Confident160 Ų16060.3 Ų60.386%0.85628%0.275SS*.THydrogen-bonded Turntrans-71.3-39.3-177.9-68.8-45.7000111.5D77D77-D79 VanDerWaalsContact C-N 3.27Å; D77-D79 PolarHBondContact O-N 3.39Å; D77-D79 PolarHBondContact OD1-N 2.99Å
80K82.4Confident87Confident144 Ų14459.5 Ų59.563%0.62627%0.273SS*.THydrogen-bonded Turntrans-100.1-12.6-177.2-62-179.1-174.71690113.4D77 Y82D77-K80 PolarHBondContact O-N 2.85Å; D77-K80 PolarHBondContact OD1-N 3.07Å; K80-Y82 VanDerWaalsContact C-N 3.27Å; K80-Y82 HydrophobicContact CB-CD2 3.38Å; K80-Y82 HydrophobicContact CB-CE2 3.61Å; K80-Y82 HydrophobicContact CB-CG 4.21Å; K80-Y82 HydrophobicContact CD-CD2 3.84Å; K80-Y82 HydrophobicContact CD-CE2 3.73Å; K80-Y82 HydrophobicContact CG-CD2 4.26Å; K80-Y82 HydrophobicContact CG-CE2 4.25Å
81G81Confident86.7Confident18 Ų1866.1 Ų66.119%0.18630%0.298CS..THydrogen-bonded Turntrans69.423-173.900000113.6D77D77-G81 WeakPolarHBondContact O-CA 3.28Å; D77-G81 PolarHBondContact O-N 2.95Å
82Y86.7Confident86.4Confident155 Ų15571.7 Ų71.761%0.60833%0.332SS*.EExtended strand (participates in β ladder)trans-87.4128.8176.6-66.1-52.5000110.6D77 K80D77-Y82 PolarHBondContact N-O 3.08Å; D77-Y82 PolarHBondContact O-N 2.97Å; K80-Y82 VanDerWaalsContact C-N 3.27Å; K80-Y82 HydrophobicContact CB-CD2 3.38Å; K80-Y82 HydrophobicContact CB-CE2 3.61Å; K80-Y82 HydrophobicContact CB-CG 4.21Å; K80-Y82 HydrophobicContact CD-CD2 3.84Å; K80-Y82 HydrophobicContact CD-CE2 3.73Å; K80-Y82 HydrophobicContact CG-CD2 4.26Å; K80-Y82 HydrophobicContact CG-CE2 4.25Å
83I89.8Confident86.1Confident2 Ų277.7 Ų77.71%0.0136%0.357CS..EExtended strand (participates in β ladder)trans-120.3115.2177-54175.7000108.2Y13 P14 L36 I42 G44 M45 V73 V76 L85Y13-I83 HydrophobicContact CD1-CD1 4.33Å; P14-I83 HydrophobicContact CG-CD1 4.15Å; P14-I83 HydrophobicContact CG-CG2 4.45Å; L36-I83 HydrophobicContact CD1-CD1 4.16Å; L36-I83 HydrophobicContact CD2-CD1 4Å; I42-I83 HydrophobicContact CG2-CD1 3.67Å; I42-I83 HydrophobicContact CG2-CG1 4.49Å; G44-I83 WeakPolarHBondContact CA-O 3.43Å; M45-I83 PolarHBondContact N-O 2.81Å; V73-I83 HydrophobicContact CG1-CG2 3.98Å; V73-I83 HydrophobicContact CG2-CG2 4.35Å; V76-I83 HydrophobicContact CG2-CG2 4.39Å; I83-L85 HydrophobicContact CG2-CD2 3.69Å; I83-L85 HydrophobicContact CG2-CG 4Å
84D91.1Very high85.8Confident52 Ų5279.6 Ų79.628%0.27837%0.367SS..EExtended strand (participates in β ladder)trans-88.3122.5173.4-70.4-42.3000109.7I74 R75I74-D84 PolarHBondContact N-O 3.44Å; R75-D84 HydrophobicContact CB-CB 4.16Å; R75-D84 PolarHBondContact N-O 3.2Å; R75-D84 PolarHBondContact O-N 3.37Å
85L90.6Very high85.5Confident2 Ų280.2 Ų80.21%0.0137%0.371CS..EExtended strand (participates in β ladder)trans-116.2151.4-173.7-62.3168000111.1V20 V22 V34 L36 M45 I46 V71 V72 V73 I83V20-L85 HydrophobicContact CG2-CD2 4.16Å; V22-L85 HydrophobicContact CG1-CD1 4.11Å; V34-L85 HydrophobicContact CG2-CD1 3.21Å; L36-L85 HydrophobicContact CD1-CD1 4.09Å; M45-L85 PolarHBondContact O-N 3.09Å; I46-L85 HydrophobicContact CG1-CB 3.68Å; I46-L85 HydrophobicContact CG1-CD1 4.35Å; V71-L85 HydrophobicContact CB-CB 4.35Å; V71-L85 HydrophobicContact CG2-CB 4.13Å; V71-L85 HydrophobicContact CG2-CD1 4.08Å; V71-L85 HydrophobicContact CG2-CD2 3.92Å; V71-L85 HydrophobicContact CG2-CG 4.27Å; V72-L85 CarbonylContact O-C 3.48Å; V72-L85 WeakPolarHBondContact O-CA 3.32Å; V73-L85 HydrophobicContact CB-CD2 4.37Å; V73-L85 HydrophobicContact CG2-CD2 3.69Å; I83-L85 HydrophobicContact CG2-CD2 3.69Å; I83-L85 HydrophobicContact CG2-CG 4Å
86S89.6Confident85.4Confident0 Ų077.4 Ų77.40%037%0.367CS..EExtended strand (participates in β ladder)trans-136.5131176.1173.10000112.8E50 V72 R88 R89E50-S86 PolarHBondContact O-OG 2.83Å; E50-S86 WeakPolarHBondContact OE2-CB 3.44Å; E50-S86 PolarHBondContact OE2-OG 2.78Å; V72-S86 PolarHBondContact N-O 3.44Å; V72-S86 PolarHBondContact O-N 3.4Å; S86-R88 PolarHBondContact OG-N 2.91Å; S86-R89 PolarHBondContact OG-N 3.38Å
87K86.1Confident85.2Confident51 Ų5180.2 Ų80.222%0.22238%0.378CS..SBendtrans-88-23.3169.5-166.7176.1-172.2173.40111.4E50 L51 L62 E69 V71 R89 V90E50-K87 PolarHBondContact O-N 2.91Å; L51-K87 HydrophobicContact CD1-CB 4.23Å; L51-K87 HydrophobicContact CD1-CD 3.84Å; L62-K87 PolarHBondContact O-NZ 3.21Å; E69-K87 IonicContact OE1-NZ 3.29Å; E69-K87 PolarHBondContact OE1-NZ 3.25Å; E69-K87 WeakPolarHBondContact OE2-CE 3.41Å; E69-K87 IonicContact OE2-NZ 3.85Å; E69-K87 PolarHBondContact OE2-NZ 3.05Å; V71-K87 HydrophobicContact CG1-CB 4.26Å; K87-R89 VanDerWaalsContact C-N 3.32Å; K87-R89 PolarHBondContact O-N 3.12Å; K87-V90 PolarHBondContact O-N 3.33Å
88R83.9Confident84.9Confident97 Ų9778.1 Ų78.137%0.36637%0.367SS..THydrogen-bonded Turntrans-65.4-32.6-175.4-170.8176.567.6150.8-0113.6E50 R53 S86E50-R88 WeakPolarHBondContact O-CB 3.32Å; E50-R88 PolarHBondContact O-N 2.64Å; E50-R88 IonicContact OE1-CZ 2.9Å; E50-R88 IonicContact OE1-NE 2.64Å; E50-R88 IonicContact OE1-NH2 3.19Å; E50-R88 PolarHBondContact OE1-NH2 3.01Å; E50-R88 WeakPolarHBondContact OE2-CB 3.43Å; E50-R88 IonicContact OE2-CZ 2.96Å; E50-R88 IonicContact OE2-NE 3.15Å; E50-R88 PolarHBondContact OE2-NE 3.44Å; E50-R88 IonicContact OE2-NH2 2.7Å; R53-R88 HydrophobicContact CB-CG 4.44Å; R53-R88 HydrophobicContact CG-CG 3.43Å; R53-R88 VanDerWaalsContact CG-CG 3.43Å; R53-R88 PolarHBondContact NE-O 3.13Å; R53-R88 PolarHBondContact NH2-O 3.2Å; S86-R88 PolarHBondContact OG-N 2.91Å
89R80.4Confident85Confident111 Ų11176.8 Ų76.842%0.41936%0.361SS..THydrogen-bonded Turntrans-86.7-9.9-176.6-64.4-174.2-174.2-158.82.6113.9S86 K87 Y91S86-R89 PolarHBondContact OG-N 3.38Å; K87-R89 VanDerWaalsContact C-N 3.32Å; K87-R89 PolarHBondContact O-N 3.12Å; R89-Y91 WeakPolarHBondContact O-CD2 3.25Å; R89-Y91 PolarHBondContact O-N 3.22Å
90V81.9Confident85.1Confident22 Ų2274.4 Ų74.413%0.13334%0.344CS..  trans-71.5123.6-179.5-172.40000109.6V72 K87 D94 L95V72-V90 HydrophobicContact CG2-CG2 3.96Å; K87-V90 PolarHBondContact O-N 3.33Å; V90-D94 HydrophobicContact CG1-CB 4.31Å; V90-L95 HydrophobicContact CG1-CD1 3.54Å; V90-L95 HydrophobicContact CG1-CG 3.76Å
91Y82.4Confident85.2Confident144 Ų14470.4 Ų70.457%0.56533%0.325SS*.  trans-90.8154.5169.2-65.7-89.3000110.3R89 K93 D94 L95R89-Y91 WeakPolarHBondContact O-CD2 3.25Å; R89-Y91 PolarHBondContact O-N 3.22Å; Y91-K93 PolarHBondContact O-N 3.23Å; Y91-K93 VanDerWaalsContact O-N 3.11Å; Y91-D94 WeakPolarHBondContact CB-OD2 3.49Å; Y91-D94 PolarHBondContact N-OD2 3.49Å; Y91-D94 VanDerWaalsContact N-OD2 3.15Å; Y91-D94 WeakPolarHBondContact O-CB 3.35Å; Y91-D94 PolarHBondContact O-N 3.19Å; Y91-L95 WeakPolarHBondContact O-CD1 3.49Å; Y91-L95 PolarHBondContact O-N 3.2Å
92T82.6Confident85.3Confident119 Ų11970.7 Ų70.773%0.7332%0.322SS*.Hα-helixtrans-56.2-30.6179.946.40000113.6
93K84.3Confident85.3Confident138 Ų13866 Ų6660%0.632%0.315SS*.Hα-helixtrans-64-42.3173.9-170-176.8175.7-160.80111.9Y91 L95 I96 E97Y91-K93 PolarHBondContact O-N 3.23Å; Y91-K93 VanDerWaalsContact O-N 3.11Å; K93-L95 VanDerWaalsContact C-N 3.32Å; K93-L95 PolarHBondContact O-N 3.13Å; K93-I96 PolarHBondContact O-N 3.28Å; K93-E97 VanDerWaalsContact CE-OE1 3.23Å; K93-E97 WeakPolarHBondContact CE-OE1 3.49Å; K93-E97 IonicContact NZ-OE1 3.72Å; K93-E97 PolarHBondContact O-N 2.98Å
94D83.2Confident85Confident40 Ų4069 Ų6921%0.21433%0.328CS..Hα-helixtrans-70.4-30.6-177.8-51.9-25.5000111.8T19 V90 Y91 I96 E97 C98T19-D94 HydrophobicContact CG2-CB 4.02Å; V90-D94 HydrophobicContact CG1-CB 4.31Å; Y91-D94 WeakPolarHBondContact CB-OD2 3.49Å; Y91-D94 PolarHBondContact N-OD2 3.49Å; Y91-D94 VanDerWaalsContact N-OD2 3.15Å; Y91-D94 WeakPolarHBondContact O-CB 3.35Å; Y91-D94 PolarHBondContact O-N 3.19Å; D94-I96 VanDerWaalsContact C-N 3.32Å; D94-I96 PolarHBondContact O-N 3.16Å; D94-E97 PolarHBondContact O-N 3.16Å; D94-C98 WeakPolarHBondContact O-CB 3.33Å; D94-C98 PolarHBondContact O-N 2.91Å
95L83.8Confident84.6Confident59 Ų5967 Ų6731%0.30932%0.318SS..Hα-helixtrans-58-46.7173.2-81.9113.6000111.1C70 V90 Y91 K93 C98 E99C70-L95 HydrophobicContact CB-CD2 4.26Å; C70-L95 HydrophobicContact CB-CG 4.22Å; V90-L95 HydrophobicContact CG1-CD1 3.54Å; V90-L95 HydrophobicContact CG1-CG 3.76Å; Y91-L95 WeakPolarHBondContact O-CD1 3.49Å; Y91-L95 PolarHBondContact O-N 3.2Å; K93-L95 VanDerWaalsContact C-N 3.32Å; K93-L95 PolarHBondContact O-N 3.13Å; L95-C98 PolarHBondContact O-N 2.97Å; L95-E99 WeakPolarHBondContact O-CB 3.37Å; L95-E99 WeakPolarHBondContact O-CG 3.44Å; L95-E99 PolarHBondContact O-N 3.41Å
96I86.9Confident84.3Confident100 Ų10072.9 Ų72.951%0.51334%0.344SS..Hα-helixtrans-66.7-47.4-178.5-58.4167.7000109.9K93 D94 C98 E99 E100K93-I96 PolarHBondContact O-N 3.28Å; D94-I96 VanDerWaalsContact C-N 3.32Å; D94-I96 PolarHBondContact O-N 3.16Å; I96-C98 VanDerWaalsContact C-N 3.31Å; I96-C98 PolarHBondContact O-N 2.76Å; I96-E99 PolarHBondContact O-N 3.43Å; I96-E100 WeakPolarHBondContact O-CB 3.34Å; I96-E100 WeakPolarHBondContact O-CG 3.23Å; I96-E100 PolarHBondContact O-N 3.43Å
97E84.3Confident84.1Confident88 Ų8874.6 Ų74.641%0.41136%0.358SS..Hα-helixtrans-62.8-38.3179.1-68.5-177.5178.500112K93 D94 R101K93-E97 VanDerWaalsContact CE-OE1 3.23Å; K93-E97 WeakPolarHBondContact CE-OE1 3.49Å; K93-E97 IonicContact NZ-OE1 3.72Å; K93-E97 PolarHBondContact O-N 2.98Å; D94-E97 PolarHBondContact O-N 3.16Å; E97-R101 VanDerWaalsContact O-CB 3.28Å; E97-R101 WeakPolarHBondContact O-CB 3.49Å; E97-R101 PolarHBondContact O-N 2.88Å
98C83.2Confident83.9Confident1 Ų172.6 Ų72.61%0.00735%0.35CS..Hα-helixtrans-67.9-44.5176.7-172.80000111.7D94 L95 I96 R101 F102D94-C98 WeakPolarHBondContact O-CB 3.33Å; D94-C98 PolarHBondContact O-N 2.91Å; L95-C98 PolarHBondContact O-N 2.97Å; I96-C98 VanDerWaalsContact C-N 3.31Å; I96-C98 PolarHBondContact O-N 2.76Å; C98-R101 PolarHBondContact O-N 2.83Å; C98-F102 WeakPolarHBondContact O-CB 3.5Å; C98-F102 PolarHBondContact O-N 2.9Å
99E86.9Confident84Confident110 Ų11069 Ų6951%0.51434%0.337SS..Hα-helixtrans-63.1-43.6176.4-79.4-177.9178.300111.7M21 L95 I96 F102 A103M21-E99 HydrophobicContact CE-CG 3.7Å; L95-E99 WeakPolarHBondContact O-CB 3.37Å; L95-E99 WeakPolarHBondContact O-CG 3.44Å; L95-E99 PolarHBondContact O-N 3.41Å; I96-E99 PolarHBondContact O-N 3.43Å; E99-F102 PolarHBondContact O-N 2.96Å; E99-A103 VanDerWaalsContact O-CB 3.24Å; E99-A103 WeakPolarHBondContact O-CB 3.28Å; E99-A103 PolarHBondContact O-N 3.46Å
100E86.1Confident84.1Confident109 Ų10964.8 Ų64.851%0.50933%0.328SS..Hα-helixtrans-63.1-44.6176.2-75.6-170.8178.700112I96 A103 K104I96-E100 WeakPolarHBondContact O-CB 3.34Å; I96-E100 WeakPolarHBondContact O-CG 3.23Å; I96-E100 PolarHBondContact O-N 3.43Å; E100-A103 PolarHBondContact O-N 2.78Å; E100-K104 WeakPolarHBondContact O-CB 3.4Å; E100-K104 VanDerWaalsContact O-CG 3.26Å; E100-K104 WeakPolarHBondContact O-CG 3.5Å; E100-K104 PolarHBondContact O-N 3.34Å
101R83.6Confident84.1Confident60 Ų6063.9 Ų63.923%0.22632%0.322CS..Hα-helixtrans-62.4-47.7177.4-172.3-170.3-62.4167.61110.8D18 E97 C98 A103 K104 A105 A146D18-R101 IonicContact OD1-CZ 3.46Å; D18-R101 IonicContact OD1-NH1 2.69Å; D18-R101 PolarHBondContact OD1-NH1 3.01Å; D18-R101 IonicContact OD2-NH1 3.73Å; E97-R101 VanDerWaalsContact O-CB 3.28Å; E97-R101 WeakPolarHBondContact O-CB 3.49Å; E97-R101 PolarHBondContact O-N 2.88Å; C98-R101 PolarHBondContact O-N 2.83Å; R101-A103 PolarHBondContact O-N 3.11Å; R101-K104 PolarHBondContact O-N 2.83Å; R101-A105 WeakPolarHBondContact O-CB 3.34Å; R101-A105 PolarHBondContact O-N 2.87Å; R101-A146 HydrophobicContact CG-CB 3.87Å
102F84.9Confident84.1Confident25 Ų2557 Ų5711%0.1130%0.295CS..Hα-helixtrans-62-42.6178.4-179.1-106.9000111.5M21 L37 E38 C98 E99 K104 A105 K106M21-F102 HydrophobicContact CB-CB 4.27Å; M21-F102 HydrophobicContact CB-CD1 4.29Å; M21-F102 HydrophobicContact CB-CD2 3.73Å; M21-F102 HydrophobicContact CB-CE2 4.11Å; M21-F102 HydrophobicContact CB-CG 3.83Å; M21-F102 HydrophobicContact CE-CD1 4.44Å; M21-F102 HydrophobicContact CG-CD1 4.06Å; M21-F102 HydrophobicContact CG-CD2 4.25Å; M21-F102 HydrophobicContact CG-CE1 4.12Å; M21-F102 HydrophobicContact CG-CE2 4.32Å; M21-F102 HydrophobicContact CG-CG 4.12Å; M21-F102 HydrophobicContact CG-CZ 4.26Å; L37-F102 HydrophobicContact CB-CE2 3.97Å; L37-F102 HydrophobicContact CB-CZ 4.15Å; L37-F102 HydrophobicContact CD1-CE2 4.33Å; L37-F102 HydrophobicContact CD1-CZ 3.75Å; E38-F102 HydrophobicContact CG-CD2 3.55Å; E38-F102 HydrophobicContact CG-CE2 3.79Å; C98-F102 WeakPolarHBondContact O-CB 3.5Å; C98-F102 PolarHBondContact O-N 2.9Å; E99-F102 PolarHBondContact O-N 2.96Å; F102-K104 PolarHBondContact O-N 2.91Å; F102-A105 PolarHBondContact O-N 3.2Å; F102-K106 HydrophobicContact CE1-CD 4.08Å; F102-K106 HydrophobicContact CZ-CD 4.39Å; F102-K106 WeakPolarHBondContact O-CB 3.06Å; F102-K106 PolarHBondContact O-N 2.87Å
103A85.7Confident84.1Confident57 Ų5755.6 Ų55.647%0.47128%0.277SS..Hα-helixtrans-62.6-43.117700000112E99 E100 R101 K106 A107E99-A103 VanDerWaalsContact O-CB 3.24Å; E99-A103 WeakPolarHBondContact O-CB 3.28Å; E99-A103 PolarHBondContact O-N 3.46Å; E100-A103 PolarHBondContact O-N 2.78Å; R101-A103 PolarHBondContact O-N 3.11Å; A103-K106 PolarHBondContact O-N 3.28Å; A103-A107 WeakPolarHBondContact O-CB 3.36Å; A103-A107 PolarHBondContact O-N 2.88Å
104K84Confident84.1Confident64 Ų6451.9 Ų51.928%0.27826%0.261SS..Hα-helixtrans-61.4-48.9174.9-72.9171.4-173.5174.90111.3E100 R101 F102 A107 V108 A146 Y149E100-K104 WeakPolarHBondContact O-CB 3.4Å; E100-K104 VanDerWaalsContact O-CG 3.26Å; E100-K104 WeakPolarHBondContact O-CG 3.5Å; E100-K104 PolarHBondContact O-N 3.34Å; R101-K104 PolarHBondContact O-N 2.83Å; F102-K104 PolarHBondContact O-N 2.91Å; K104-A107 PolarHBondContact O-N 3.19Å; K104-V108 WeakPolarHBondContact O-CG2 3.47Å; K104-V108 PolarHBondContact O-N 2.81Å; K104-V108 VanDerWaalsContact O-N 3.13Å; K104-A146 HydrophobicContact CB-CB 4.21Å; K104-Y149 HydrophobicContact CB-CD2 4.26Å; K104-Y149 HydrophobicContact CB-CG 4.02Å; K104-Y149 HydrophobicContact CD-CD1 4.41Å; K104-Y149 HydrophobicContact CG-CD1 4.01Å; K104-Y149 HydrophobicContact CG-CD2 4.29Å; K104-Y149 HydrophobicContact CG-CG 3.87Å
105A82.8Confident84Confident9 Ų950 Ų507%0.07425%0.251CS..Hα-helixtrans-63-42.7178.500000111.8F8 R101 F102 A107 V108 Y109 A146F8-A105 HydrophobicContact CD1-CB 3.81Å; F8-A105 WeakPolarHBondContact CD1-O 3.49Å; F8-A105 HydrophobicContact CE1-CB 4.46Å; F8-A105 WeakPolarHBondContact CE1-O 3.3Å; R101-A105 WeakPolarHBondContact O-CB 3.34Å; R101-A105 PolarHBondContact O-N 2.87Å; F102-A105 PolarHBondContact O-N 3.2Å; A105-A107 PolarHBondContact O-N 3.36Å; A105-V108 PolarHBondContact O-N 3.38Å; A105-Y109 WeakPolarHBondContact O-CB 3.49Å; A105-Y109 PolarHBondContact O-N 3.47Å; A105-A146 HydrophobicContact CB-CB 4.36Å
106K84.7Confident84Confident126 Ų12647.2 Ų47.255%0.54824%0.237SC..Hα-helixtrans-58.2-43173.7-167.6176.4-173.8-178.10113.1F102 A103 G110F102-K106 HydrophobicContact CE1-CD 4.08Å; F102-K106 HydrophobicContact CZ-CD 4.39Å; F102-K106 WeakPolarHBondContact O-CB 3.06Å; F102-K106 PolarHBondContact O-N 2.87Å; A103-K106 PolarHBondContact O-N 3.28Å; K106-G110 PolarHBondContact O-N 3.02Å
107A84Confident83.7Confident37 Ų3747 Ų4731%0.30623%0.234SC..Hα-helixtrans-63.4-47.2177.100000111.4A103 K104 A105 G110 I111 Y149A103-A107 WeakPolarHBondContact O-CB 3.36Å; A103-A107 PolarHBondContact O-N 2.88Å; K104-A107 PolarHBondContact O-N 3.19Å; A105-A107 PolarHBondContact O-N 3.36Å; A107-G110 PolarHBondContact O-N 3.11Å; A107-I111 WeakPolarHBondContact O-CG1 3.39Å; A107-I111 PolarHBondContact O-N 2.87Å; A107-Y149 HydrophobicContact CB-CD2 4.15Å; A107-Y149 HydrophobicContact CB-CE2 4Å
108V83.3Confident83.6Confident9 Ų946.2 Ų46.26%0.05523%0.23CC..Hα-helixtrans-61.7-49.5178.2170.30000111.6K104 A105 G110 I111 L112 A135 Y149 F152K104-V108 WeakPolarHBondContact O-CG2 3.47Å; K104-V108 PolarHBondContact O-N 2.81Å; K104-V108 VanDerWaalsContact O-N 3.13Å; A105-V108 PolarHBondContact O-N 3.38Å; V108-G110 VanDerWaalsContact C-N 3.3Å; V108-G110 PolarHBondContact O-N 3.4Å; V108-I111 PolarHBondContact O-N 3.29Å; V108-L112 HydrophobicContact CG1-CD1 3.79Å; V108-L112 PolarHBondContact O-N 2.78Å; V108-A135 HydrophobicContact CG1-CB 4.2Å; V108-Y149 HydrophobicContact CG2-CD2 4.36Å; V108-F152 HydrophobicContact CB-CD2 4.45Å; V108-F152 HydrophobicContact CB-CE2 4.29Å; V108-F152 HydrophobicContact CG1-CD2 4.11Å; V108-F152 HydrophobicContact CG1-CE2 3.48Å; V108-F152 VanDerWaalsContact CG1-CE2 3.48Å; V108-F152 HydrophobicContact CG1-CZ 4.42Å; V108-F152 HydrophobicContact CG2-CD2 3.65Å; V108-F152 HydrophobicContact CG2-CE2 3.93Å
109Y84.1Confident83.3Confident21 Ų2148.2 Ų48.28%0.08224%0.241CC..Hα-helixtrans-60.6-41.2177.1-177.3-97.9000111.8L4 S5 C6 F8 A105 I111 L112 R113 L127 L131L4-Y109 PolarHBondContact O-OH 2.89Å; S5-Y109 WeakPolarHBondContact CA-OH 3.41Å; C6-Y109 HydrophobicContact CB-CE2 4.04Å; C6-Y109 PolarHBondContact N-OH 2.98Å; C6-Y109 VanDerWaalsContact O-CE2 3.24Å; C6-Y109 WeakPolarHBondContact O-CE2 3.41Å; F8-Y109 HydrophobicContact CD1-CD2 4.41Å; F8-Y109 HydrophobicContact CD1-CG 4.12Å; F8-Y109 HydrophobicContact CE1-CD1 4.02Å; F8-Y109 HydrophobicContact CE1-CD2 4.23Å; F8-Y109 AromaticContact CE1-CG 3.56Å; F8-Y109 HydrophobicContact CE1-CG 3.56Å; F8-Y109 HydrophobicContact CE2-CD1 4.44Å; F8-Y109 HydrophobicContact CE2-CG 4.34Å; F8-Y109 AromaticContact CZ-CD1 3.74Å; F8-Y109 HydrophobicContact CZ-CD1 3.74Å; F8-Y109 HydrophobicContact CZ-CD2 4.33Å; F8-Y109 HydrophobicContact CZ-CE1 4.43Å; F8-Y109 AromaticContact CZ-CG 3.7Å; F8-Y109 HydrophobicContact CZ-CG 3.7Å; A105-Y109 WeakPolarHBondContact O-CB 3.49Å; A105-Y109 PolarHBondContact O-N 3.47Å; Y109-I111 VanDerWaalsContact C-N 3.33Å; Y109-I111 PolarHBondContact O-N 3.18Å; Y109-L112 PolarHBondContact O-N 3.36Å; Y109-R113 HydrophobicContact CE1-CB 4.41Å; Y109-R113 WeakPolarHBondContact O-CB 3.26Å; Y109-R113 PolarHBondContact O-N 3.24Å; Y109-L127 HydrophobicContact CE2-CD2 4.48Å; Y109-L131 HydrophobicContact CD2-CD1 4.46Å; Y109-L131 HydrophobicContact CE2-CD1 4.31Å
110G83.7Confident82.8Confident22 Ų2245.2 Ų45.223%0.22724%0.239CC..Hα-helixtrans-61.9-38.1176.300000113.2K106 A107 V108 H114K106-G110 PolarHBondContact O-N 3.02Å; A107-G110 PolarHBondContact O-N 3.11Å; V108-G110 VanDerWaalsContact C-N 3.3Å; V108-G110 PolarHBondContact O-N 3.4Å; G110-H114 WeakPolarHBondContact O-CB 3.39Å; G110-H114 PolarHBondContact O-N 3.02Å
111I82.6Confident82.2Confident4 Ų442.7 Ų42.72%0.02123%0.225CC..Hα-helixtrans-65-53174.1-68160.7000109.9A107 V108 Y109 R113 H114 V115 N178 I179 R182A107-I111 WeakPolarHBondContact O-CG1 3.39Å; A107-I111 PolarHBondContact O-N 2.87Å; V108-I111 PolarHBondContact O-N 3.29Å; Y109-I111 VanDerWaalsContact C-N 3.33Å; Y109-I111 PolarHBondContact O-N 3.18Å; I111-R113 PolarHBondContact O-N 2.82Å; I111-H114 PolarHBondContact O-N 2.74Å; I111-V115 WeakPolarHBondContact O-CG2 3.41Å; I111-V115 PolarHBondContact O-N 2.8Å; I111-N178 HydrophobicContact CG2-CB 4.13Å; I111-I179 HydrophobicContact CD1-CG1 4.47Å; I111-I179 HydrophobicContact CG2-CG1 4.11Å; I111-R182 HydrophobicContact CG1-CB 4.32Å
112L81.3Confident81.4Confident0 Ų045.9 Ų45.90%025%0.247CC..Hα-helixtrans-65.4-38.7-176-74.4164.7000112.5V108 Y109 H114 V115 A116 L130 L131 T134 A135 I175V108-L112 HydrophobicContact CG1-CD1 3.79Å; V108-L112 PolarHBondContact O-N 2.78Å; Y109-L112 PolarHBondContact O-N 3.36Å; L112-H114 VanDerWaalsContact C-N 3.34Å; L112-H114 PolarHBondContact O-N 2.83Å; L112-V115 PolarHBondContact O-N 2.84Å; L112-A116 WeakPolarHBondContact O-CB 3.24Å; L112-A116 PolarHBondContact O-N 3.39Å; L112-L130 HydrophobicContact CD2-CD2 4.04Å; L112-L130 HydrophobicContact CD2-CG 4.2Å; L112-L131 HydrophobicContact CB-CD2 4.46Å; L112-L131 HydrophobicContact CD1-CD2 3.48Å; L112-L131 VanDerWaalsContact CD1-CD2 3.48Å; L112-L131 HydrophobicContact CD1-CG 4.44Å; L112-T134 HydrophobicContact CD2-CG2 4.18Å; L112-T134 WeakPolarHBondContact CD2-OG1 3.37Å; L112-A135 HydrophobicContact CD1-CB 4.05Å; L112-I175 HydrophobicContact CD2-CD1 4.38Å
113R83Confident80.8Confident89 Ų8947.6 Ų47.634%0.33626%0.262SS..Hα-helixtrans-59.9-45.4173178.3178.9170.6160.64.9111.2Y109 I111 V115 A116 E117Y109-R113 HydrophobicContact CE1-CB 4.41Å; Y109-R113 WeakPolarHBondContact O-CB 3.26Å; Y109-R113 PolarHBondContact O-N 3.24Å; I111-R113 PolarHBondContact O-N 2.82Å; R113-V115 VanDerWaalsContact C-N 3.34Å; R113-V115 PolarHBondContact O-N 3.5Å; R113-A116 PolarHBondContact O-N 3.15Å; R113-E117 IonicContact CZ-OE1 3.88Å; R113-E117 IonicContact NE-OE1 3.1Å; R113-E117 PolarHBondContact NE-OE1 3.39Å; R113-E117 VanDerWaalsContact NE-OE1 3.1Å; R113-E117 IonicContact NH2-OE1 3.74Å; R113-E117 WeakPolarHBondContact O-CG 3.49Å; R113-E117 PolarHBondContact O-N 2.9Å
114H83.2Confident80.2Confident59 Ų5948.8 Ų48.827%0.27326%0.26SS..Hα-helixtrans-67-37.8179.7-167.859.9000112G110 I111 L112 A116 E117 Q118 N178G110-H114 WeakPolarHBondContact O-CB 3.39Å; G110-H114 PolarHBondContact O-N 3.02Å; I111-H114 PolarHBondContact O-N 2.74Å; L112-H114 VanDerWaalsContact C-N 3.34Å; L112-H114 PolarHBondContact O-N 2.83Å; H114-A116 VanDerWaalsContact C-N 3.33Å; H114-E117 IonicContact ND1-OE2 2.79Å; H114-E117 PolarHBondContact O-N 3.11Å; H114-Q118 PolarHBondContact CD2-NE2 3.35Å; H114-Q118 PolarHBondContact NE2-NE2 3.39Å; H114-Q118 WeakPolarHBondContact O-CB 3.02Å; H114-Q118 WeakPolarHBondContact O-CG 3.15Å; H114-Q118 PolarHBondContact O-N 2.66Å; H114-N178 PolarHBondContact CD2-OD1 2.72Å; H114-N178 VanDerWaalsContact CD2-OD1 3.24Å
115V82.4Confident79.8Confident0 Ų054 Ų540%028%0.283CS..Hα-helixtrans-61.8-42.6172.5170.60000111I111 L112 R113 Q118 L119 T171 K174 I175 N178I111-V115 WeakPolarHBondContact O-CG2 3.41Å; I111-V115 PolarHBondContact O-N 2.8Å; L112-V115 PolarHBondContact O-N 2.84Å; R113-V115 VanDerWaalsContact C-N 3.34Å; R113-V115 PolarHBondContact O-N 3.5Å; V115-Q118 PolarHBondContact O-N 2.99Å; V115-L119 HydrophobicContact CG1-CD1 3.76Å; V115-L119 WeakPolarHBondContact O-CG 3.41Å; V115-L119 PolarHBondContact O-N 3.32Å; V115-T171 HydrophobicContact CG1-CG2 4.31Å; V115-K174 HydrophobicContact CG1-CB 4.42Å; V115-I175 HydrophobicContact CB-CG1 4.33Å; V115-I175 HydrophobicContact CG1-CG1 3.75Å; V115-I175 HydrophobicContact CG2-CG1 3.9Å; V115-N178 HydrophobicContact CG2-CB 4.12Å
116A82.4Confident79.4Confident2 Ų257.7 Ų57.72%0.01730%0.299CS..Hα-helixtrans-64.7-41177.500000112.5L112 R113 H114 Q118 L119 G120 Y121 L127L112-A116 WeakPolarHBondContact O-CB 3.24Å; L112-A116 PolarHBondContact O-N 3.39Å; R113-A116 PolarHBondContact O-N 3.15Å; H114-A116 VanDerWaalsContact C-N 3.33Å; A116-Q118 VanDerWaalsContact C-N 3.32Å; A116-Q118 PolarHBondContact O-N 2.85Å; A116-L119 PolarHBondContact O-N 3.02Å; A116-G120 PolarHBondContact O-N 3.29Å; A116-G120 VanDerWaalsContact O-N 3.11Å; A116-Y121 HydrophobicContact CB-CD2 3.88Å; A116-Y121 PolarHBondContact O-N 2.99Å; A116-Y121 VanDerWaalsContact O-N 3.12Å; A116-L127 HydrophobicContact CB-CD1 3.76Å
117E82Confident78.9Confident94 Ų9451.7 Ų51.744%0.43927%0.273SS..Hα-helixtrans-61-40.9172.4-73170.4-179.500111.1R113 H114 L119 G120R113-E117 IonicContact CZ-OE1 3.88Å; R113-E117 IonicContact NE-OE1 3.1Å; R113-E117 PolarHBondContact NE-OE1 3.39Å; R113-E117 VanDerWaalsContact NE-OE1 3.1Å; R113-E117 IonicContact NH2-OE1 3.74Å; R113-E117 WeakPolarHBondContact O-CG 3.49Å; R113-E117 PolarHBondContact O-N 2.9Å; H114-E117 IonicContact ND1-OE2 2.79Å; H114-E117 PolarHBondContact O-N 3.11Å; E117-L119 VanDerWaalsContact C-N 3.3Å; E117-L119 PolarHBondContact O-N 2.92Å; E117-G120 PolarHBondContact O-N 3.48Å
118Q80.7Confident78.6Confident73 Ų7352.2 Ų52.234%0.34127%0.269SS..Hα-helixtrans-71.3-20.7176.8-74.3-176.9-8.700114.4H114 V115 A116 K174 N178H114-Q118 PolarHBondContact CD2-NE2 3.35Å; H114-Q118 PolarHBondContact NE2-NE2 3.39Å; H114-Q118 WeakPolarHBondContact O-CB 3.02Å; H114-Q118 WeakPolarHBondContact O-CG 3.15Å; H114-Q118 PolarHBondContact O-N 2.66Å; V115-Q118 PolarHBondContact O-N 2.99Å; A116-Q118 VanDerWaalsContact C-N 3.32Å; A116-Q118 PolarHBondContact O-N 2.85Å; Q118-K174 HydrophobicContact CB-CD 4.37Å; Q118-K174 PolarHBondContact O-NZ 3.25Å; Q118-N178 PolarHBondContact OE1-ND2 3.42Å; Q118-N178 VanDerWaalsContact OE1-ND2 3.11Å
119L77.7Confident78.3Confident43 Ų4355.1 Ų55.123%0.22528%0.284CS..Hα-helixtrans-91.7-9.1175.1-72.5164.3000112.3V115 A116 E117 Y121 I170 T171 K174V115-L119 HydrophobicContact CG1-CD1 3.76Å; V115-L119 WeakPolarHBondContact O-CG 3.41Å; V115-L119 PolarHBondContact O-N 3.32Å; A116-L119 PolarHBondContact O-N 3.02Å; E117-L119 VanDerWaalsContact C-N 3.3Å; E117-L119 PolarHBondContact O-N 2.92Å; L119-Y121 HydrophobicContact CB-CD2 4.06Å; L119-Y121 HydrophobicContact CB-CE1 4.39Å; L119-Y121 HydrophobicContact CB-CE2 3.82Å; L119-Y121 HydrophobicContact CB-CG 4.44Å; L119-Y121 HydrophobicContact CD1-CD2 4.47Å; L119-Y121 HydrophobicContact CD1-CE2 3.62Å; L119-Y121 HydrophobicContact CG-CE2 4.36Å; L119-I170 HydrophobicContact CD2-CG2 4.33Å; L119-T171 HydrophobicContact CD1-CG2 3.72Å; L119-T171 WeakPolarHBondContact CD1-OG1 3.29Å; L119-K174 HydrophobicContact CD2-CD 3.91Å; L119-K174 HydrophobicContact CG-CD 4.11Å
120G75.8Confident78Confident47 Ų4754.6 Ų54.649%0.48528%0.282SS..THydrogen-bonded Turntrans72.532.9-179.100000112.9A116 E117 D122A116-G120 PolarHBondContact O-N 3.29Å; A116-G120 VanDerWaalsContact O-N 3.11Å; E117-G120 PolarHBondContact O-N 3.48Å; G120-D122 PolarHBondContact O-N 3.07Å
121Y73.5Confident77.7Confident56 Ų5653.7 Ų53.722%0.2227%0.272CS..  trans-73.8110.7173.2-65.3-39.6000110.2L4 A116 L119 Q126L4-Y121 WeakPolarHBondContact CD2-O 3.37Å; A116-Y121 HydrophobicContact CB-CD2 3.88Å; A116-Y121 PolarHBondContact O-N 2.99Å; A116-Y121 VanDerWaalsContact O-N 3.12Å; L119-Y121 HydrophobicContact CB-CD2 4.06Å; L119-Y121 HydrophobicContact CB-CE1 4.39Å; L119-Y121 HydrophobicContact CB-CE2 3.82Å; L119-Y121 HydrophobicContact CB-CG 4.44Å; L119-Y121 HydrophobicContact CD1-CD2 4.47Å; L119-Y121 HydrophobicContact CD1-CE2 3.62Å; L119-Y121 HydrophobicContact CG-CE2 4.36Å; Y121-Q126 HydrophobicContact CD1-CB 4.06Å; Y121-Q126 HydrophobicContact CD1-CG 4.38Å; Y121-Q126 HydrophobicContact CD2-CB 4.48Å; Y121-Q126 HydrophobicContact CG-CB 3.97Å
122D67.6Low77.5Confident127 Ų12756.4 Ų56.468%0.67929%0.287SS*.  trans-89.3-7179.8-67.1-46.7000113.2G120G120-D122 PolarHBondContact O-N 3.07Å
123S71.7Confident77.2Confident61 Ų6161.5 Ų61.543%0.42731%0.306SS..  trans-116.7130.1-174.5-73.80000113.2K125 Q126 L127S123-K125 PolarHBondContact O-N 2.69Å; S123-K125 VanDerWaalsContact O-N 3.11Å; S123-Q126 WeakPolarHBondContact O-CB 3.48Å; S123-Q126 PolarHBondContact O-N 3.2Å; S123-L127 PolarHBondContact O-N 2.83Å
124D74.3Confident76.6Confident82 Ų8257.2 Ų57.244%0.43929%0.29SS..Hα-helixtrans-52.9-35.1174.8-59.5-31000112.5C6 Q126 L127 E128C6-D124 PolarHBondContact SG-O 2.98Å; C6-D124 VanDerWaalsContact SG-O 3.36Å; D124-Q126 VanDerWaalsContact C-N 3.28Å; D124-Q126 PolarHBondContact O-N 3.29Å; D124-L127 PolarHBondContact O-N 3.18Å; D124-E128 WeakPolarHBondContact O-CG 3.34Å; D124-E128 PolarHBondContact O-N 3.47Å
125K74.9Confident76.2Confident174 Ų17454.6 Ų54.676%0.75728%0.278SS*.Hα-helixtrans-61.9-32.8176.9-67.7-176180178.60113.6S123 D129S123-K125 PolarHBondContact O-N 2.69Å; S123-K125 VanDerWaalsContact O-N 3.11Å; K125-D129 WeakPolarHBondContact O-CB 3.43Å; K125-D129 PolarHBondContact O-N 3.38Å
126Q74Confident75.9Confident86 Ų8654.9 Ų54.940%0.40228%0.28SS..Hα-helixtrans-73.7-37.7178-68.3173.2-35.500110.6Y121 S123 D124 D129 L130Y121-Q126 HydrophobicContact CD1-CB 4.06Å; Y121-Q126 HydrophobicContact CD1-CG 4.38Å; Y121-Q126 HydrophobicContact CD2-CB 4.48Å; Y121-Q126 HydrophobicContact CG-CB 3.97Å; S123-Q126 WeakPolarHBondContact O-CB 3.48Å; S123-Q126 PolarHBondContact O-N 3.2Å; D124-Q126 VanDerWaalsContact C-N 3.28Å; D124-Q126 PolarHBondContact O-N 3.29Å; Q126-D129 PolarHBondContact O-N 3.35Å; Q126-L130 WeakPolarHBondContact O-CB 3.48Å; Q126-L130 PolarHBondContact O-N 2.91Å
127L75.1Confident75.3Confident0 Ų059.4 Ų59.40%030%0.297CS..Hα-helixtrans-66.4-41.7172.7-178.961000111.1L4 C6 Y109 A116 S123 D124 D129 L130 L131L4-L127 HydrophobicContact CB-CD2 4.03Å; L4-L127 HydrophobicContact CD2-CB 4.23Å; L4-L127 HydrophobicContact CD2-CD2 4.42Å; C6-L127 HydrophobicContact CB-CD2 3.89Å; C6-L127 HydrophobicContact CB-CG 4.09Å; Y109-L127 HydrophobicContact CE2-CD2 4.48Å; A116-L127 HydrophobicContact CB-CD1 3.76Å; S123-L127 PolarHBondContact O-N 2.83Å; D124-L127 PolarHBondContact O-N 3.18Å; L127-D129 VanDerWaalsContact C-N 3.34Å; L127-D129 PolarHBondContact O-N 2.97Å; L127-L130 PolarHBondContact O-N 3.49Å; L127-L131 HydrophobicContact CD1-CD1 4.34Å; L127-L131 HydrophobicContact CG-CD1 4.01Å; L127-L131 WeakPolarHBondContact O-CB 3.5Å; L127-L131 WeakPolarHBondContact O-CD1 3.42Å; L127-L131 WeakPolarHBondContact O-CG 3.28Å; L127-L131 PolarHBondContact O-N 3.11Å
128E77.3Confident74.7Confident47 Ų4755.1 Ų55.122%0.2228%0.277CS..Hα-helixtrans-61.1-41.4172.3-71.6-157.4142.700112C6 R7 D124 L131 N132C6-E128 HydrophobicContact CB-CG 4.32Å; C6-E128 VanDerWaalsContact SG-CG 3.59Å; R7-E128 IonicContact CZ-OE1 2.85Å; R7-E128 IonicContact NE-OE1 3.72Å; R7-E128 PolarHBondContact NE-OE1 3.46Å; R7-E128 IonicContact NH2-OE1 3.96Å; R7-E128 PolarHBondContact NH2-OE1 3.5Å; R7-E128 IonicContact NH2-OE2 3.37Å; R7-E128 PolarHBondContact NH2-OE2 3.16Å; D124-E128 WeakPolarHBondContact O-CG 3.34Å; D124-E128 PolarHBondContact O-N 3.47Å; E128-L131 PolarHBondContact O-N 3.26Å; E128-N132 WeakPolarHBondContact O-CB 3.31Å; E128-N132 PolarHBondContact O-N 2.73Å; E128-N132 PolarHBondContact O-ND2 2.8Å
129D77.9Confident74.3Confident71 Ų7152.8 Ų52.838%0.3827%0.267SS..Hα-helixtrans-64.7-42.1177.2-168.461.3000111.4K125 Q126 L127 L131 N132 R133K125-D129 WeakPolarHBondContact O-CB 3.43Å; K125-D129 PolarHBondContact O-N 3.38Å; Q126-D129 PolarHBondContact O-N 3.35Å; L127-D129 VanDerWaalsContact C-N 3.34Å; L127-D129 PolarHBondContact O-N 2.97Å; D129-L131 PolarHBondContact O-N 2.94Å; D129-N132 WeakPolarHBondContact O-CB 3.23Å; D129-N132 PolarHBondContact O-N 3.39Å; D129-R133 WeakPolarHBondContact O-CG 3.29Å; D129-R133 PolarHBondContact O-N 3.06Å; D129-R133 IonicContact OD1-NE 3.95Å; D129-R133 IonicContact OD2-CZ 2.66Å; D129-R133 IonicContact OD2-NE 2.72Å; D129-R133 PolarHBondContact OD2-NE 3.34Å; D129-R133 IonicContact OD2-NH2 2.8Å; D129-R133 PolarHBondContact OD2-NH2 3.37Å
130L77.7Confident74Confident9 Ų959.4 Ų59.45%0.04729%0.289CS..Hα-helixtrans-61.9-44.3174.4-173.469.2000111.6L112 Q126 L127 R133 T134 T171L112-L130 HydrophobicContact CD2-CD2 4.04Å; L112-L130 HydrophobicContact CD2-CG 4.2Å; Q126-L130 WeakPolarHBondContact O-CB 3.48Å; Q126-L130 PolarHBondContact O-N 2.91Å; L127-L130 PolarHBondContact O-N 3.49Å; L130-R133 PolarHBondContact O-N 3.11Å; L130-T134 HydrophobicContact CD1-CG2 4.4Å; L130-T134 WeakPolarHBondContact O-CB 3.41Å; L130-T134 PolarHBondContact O-N 2.96Å; L130-T134 PolarHBondContact O-OG1 3.06Å; L130-T171 HydrophobicContact CD1-CG2 3.71Å
131L77.3Confident73.8Confident3 Ų362 Ų622%0.01629%0.286CS..Hα-helixtrans-63.6-40.6176.5-78.6161.3000111.8C6 Y109 L112 L127 E128 D129 R133 T134 A135 W136C6-L131 HydrophobicContact CB-CD1 3.64Å; Y109-L131 HydrophobicContact CD2-CD1 4.46Å; Y109-L131 HydrophobicContact CE2-CD1 4.31Å; L112-L131 HydrophobicContact CB-CD2 4.46Å; L112-L131 HydrophobicContact CD1-CD2 3.48Å; L112-L131 VanDerWaalsContact CD1-CD2 3.48Å; L112-L131 HydrophobicContact CD1-CG 4.44Å; L127-L131 HydrophobicContact CD1-CD1 4.34Å; L127-L131 HydrophobicContact CG-CD1 4.01Å; L127-L131 WeakPolarHBondContact O-CB 3.5Å; L127-L131 WeakPolarHBondContact O-CD1 3.42Å; L127-L131 WeakPolarHBondContact O-CG 3.28Å; L127-L131 PolarHBondContact O-N 3.11Å; E128-L131 PolarHBondContact O-N 3.26Å; D129-L131 PolarHBondContact O-N 2.94Å; L131-R133 VanDerWaalsContact C-N 3.34Å; L131-R133 PolarHBondContact O-N 3.48Å; L131-T134 PolarHBondContact O-N 2.59Å; L131-A135 HydrophobicContact CD2-CB 4.09Å; L131-A135 PolarHBondContact O-N 2.87Å; L131-W136 HydrophobicContact CB-CZ2 4.15Å; L131-W136 PolarHBondContact O-N 3.45Å
132N77Confident73.5Confident62 Ų6264.4 Ų64.433%0.33230%0.296SS..Iπ-helixtrans-57.4-48174-88.9-73.9000111.3E128 D129 W136 Y137E128-N132 WeakPolarHBondContact O-CB 3.31Å; E128-N132 PolarHBondContact O-N 2.73Å; E128-N132 PolarHBondContact O-ND2 2.8Å; D129-N132 WeakPolarHBondContact O-CB 3.23Å; D129-N132 PolarHBondContact O-N 3.39Å; N132-W136 HydrophobicContact CB-CE3 4.07Å; N132-W136 HydrophobicContact CB-CZ3 4.38Å; N132-W136 WeakPolarHBondContact ND2-CZ3 3.39Å; N132-W136 WeakPolarHBondContact OD1-CZ3 3.46Å; N132-Y137 PolarHBondContact O-N 2.91Å
133R74.8Confident73.3Confident106 Ų10661.6 Ų61.640%0.430%0.297SS..Iπ-helixtrans-72.2-34-177.2-67.6-178.7-162.6-164.510.2113.2D129 L130 L131 Y137 C165 D166 I167D129-R133 WeakPolarHBondContact O-CG 3.29Å; D129-R133 PolarHBondContact O-N 3.06Å; D129-R133 IonicContact OD1-NE 3.95Å; D129-R133 IonicContact OD2-CZ 2.66Å; D129-R133 IonicContact OD2-NE 2.72Å; D129-R133 PolarHBondContact OD2-NE 3.34Å; D129-R133 IonicContact OD2-NH2 2.8Å; D129-R133 PolarHBondContact OD2-NH2 3.37Å; L130-R133 PolarHBondContact O-N 3.11Å; L131-R133 VanDerWaalsContact C-N 3.34Å; L131-R133 PolarHBondContact O-N 3.48Å; R133-Y137 WeakPolarHBondContact O-CB 3.29Å; R133-C165 PolarHBondContact O-SG 3.16Å; R133-C165 VanDerWaalsContact O-SG 3.42Å; R133-D166 PolarHBondContact NH1-O 2.66Å; R133-D166 VanDerWaalsContact NH1-O 3.14Å; R133-I167 HydrophobicContact CB-CD1 4.37Å; R133-I167 HydrophobicContact CB-CG1 4.17Å
134T72.2Confident72.9Confident0 Ų067 Ų670%031%0.308CS..Iπ-helixtrans-96-85.6-177.954.50000111.5L112 L130 L131 W136 Y137 F138 I167 I175L112-T134 HydrophobicContact CD2-CG2 4.18Å; L112-T134 WeakPolarHBondContact CD2-OG1 3.37Å; L130-T134 HydrophobicContact CD1-CG2 4.4Å; L130-T134 WeakPolarHBondContact O-CB 3.41Å; L130-T134 PolarHBondContact O-N 2.96Å; L130-T134 PolarHBondContact O-OG1 3.06Å; L131-T134 PolarHBondContact O-N 2.59Å; T134-W136 PolarHBondContact O-N 2.96Å; T134-Y137 PolarHBondContact O-N 3.1Å; T134-F138 WeakPolarHBondContact O-CD2 3.48Å; T134-F138 PolarHBondContact O-N 3.15Å; T134-I167 HydrophobicContact CG2-CD1 3.15Å; T134-I167 HydrophobicContact CG2-CG1 4.49Å; T134-I175 HydrophobicContact CG2-CD1 4.07Å
135A73Confident72.4Confident3 Ų365.9 Ų65.93%0.02530%0.299CS..Iπ-helixtrans-62-47.1-168.500000112.4V108 L112 L131 Y137 F138 D139 S148V108-A135 HydrophobicContact CG1-CB 4.2Å; L112-A135 HydrophobicContact CD1-CB 4.05Å; L131-A135 HydrophobicContact CD2-CB 4.09Å; L131-A135 PolarHBondContact O-N 2.87Å; A135-Y137 VanDerWaalsContact C-N 3.34Å; A135-Y137 PolarHBondContact O-N 2.97Å; A135-F138 PolarHBondContact O-N 2.99Å; A135-D139 PolarHBondContact O-N 3.36Å; A135-S148 WeakPolarHBondContact CA-OG 3.35Å; A135-S148 PolarHBondContact O-OG 3.4Å
136W76Confident71.8Confident6 Ų658 Ų582%0.02327%0.267CS..Iπ-helixtrans-75-26.6-175.3-57.9-13.5000112.8R7 F8 Y9 A10 L131 N132 T134 R140R7-W136 HydrophobicContact CG-CH2 4.05Å; R7-W136 HydrophobicContact CG-CZ2 3.8Å; F8-W136 PolarHBondContact O-NE1 3.17Å; Y9-W136 VanDerWaalsContact C-CE2 3.44Å; Y9-W136 VanDerWaalsContact C-NE1 3.3Å; Y9-W136 VanDerWaalsContact O-CZ2 3.29Å; Y9-W136 WeakPolarHBondContact O-CZ2 3.33Å; A10-W136 VanDerWaalsContact CA-CE3 3.48Å; A10-W136 HydrophobicContact CB-CB 4.04Å; A10-W136 HydrophobicContact CB-CD2 3.57Å; A10-W136 HydrophobicContact CB-CE3 3.59Å; A10-W136 HydrophobicContact CB-CG 3.72Å; A10-W136 HydrophobicContact CB-CZ3 4.34Å; L131-W136 HydrophobicContact CB-CZ2 4.15Å; L131-W136 PolarHBondContact O-N 3.45Å; N132-W136 HydrophobicContact CB-CE3 4.07Å; N132-W136 HydrophobicContact CB-CZ3 4.38Å; N132-W136 WeakPolarHBondContact ND2-CZ3 3.39Å; N132-W136 WeakPolarHBondContact OD1-CZ3 3.46Å; T134-W136 PolarHBondContact O-N 2.96Å; W136-R140 WeakPolarHBondContact O-CB 3.35Å; W136-R140 VanDerWaalsContact O-CG 3.25Å; W136-R140 WeakPolarHBondContact O-CG 3.43Å; W136-R140 PolarHBondContact O-N 3.08Å
137Y71.1Confident71.3Confident98 Ų9854.2 Ų54.238%0.38425%0.25SS..Hα-helixtrans-61.9-46.7170.3-178.7-103.2000110.7N132 R133 T134 A135 R140 K141 E164N132-Y137 PolarHBondContact O-N 2.91Å; R133-Y137 WeakPolarHBondContact O-CB 3.29Å; T134-Y137 PolarHBondContact O-N 3.1Å; A135-Y137 VanDerWaalsContact C-N 3.34Å; A135-Y137 PolarHBondContact O-N 2.97Å; Y137-R140 PolarHBondContact O-N 3.34Å; Y137-K141 PolarHBondContact O-N 3.47Å; Y137-E164 HydrophobicContact CE1-CB 4.29Å; Y137-E164 PolarHBondContact OH-OE2 2.92Å
138F69.3Low70.9Confident4 Ų454.4 Ų54.42%0.01825%0.251CS..Hα-helixtrans-67.6-41.5177.7-66.8-54.6000112.8T134 A135 R140 K141 Y142 V151 A161 C165T134-F138 WeakPolarHBondContact O-CD2 3.48Å; T134-F138 PolarHBondContact O-N 3.15Å; A135-F138 PolarHBondContact O-N 2.99Å; F138-R140 VanDerWaalsContact C-N 3.28Å; F138-R140 PolarHBondContact O-N 3.37Å; F138-K141 PolarHBondContact O-N 2.92Å; F138-Y142 WeakPolarHBondContact O-CD2 3.48Å; F138-Y142 PolarHBondContact O-N 3.33Å; F138-Y142 VanDerWaalsContact O-N 3.08Å; F138-V151 HydrophobicContact CB-CG2 4.12Å; F138-V151 HydrophobicContact CD1-CB 4.21Å; F138-V151 HydrophobicContact CD1-CG1 3.66Å; F138-V151 HydrophobicContact CD1-CG2 4.01Å; F138-V151 HydrophobicContact CD2-CG1 4.25Å; F138-V151 HydrophobicContact CE1-CG1 3.61Å; F138-V151 HydrophobicContact CE2-CG1 4.21Å; F138-V151 HydrophobicContact CG-CB 4.18Å; F138-V151 HydrophobicContact CG-CG1 4Å; F138-V151 HydrophobicContact CG-CG2 4.11Å; F138-V151 HydrophobicContact CZ-CG1 3.9Å; F138-A161 WeakPolarHBondContact CZ-O 3.3Å; F138-C165 VanDerWaalsContact CZ-SG 3.57Å
139D71.5Confident70.7Confident23 Ų2355.4 Ų55.412%0.12325%0.253CS..Hα-helixtrans-63.2-36177.1-78.66.6000111.6A135 G143 A146 A147 S148A135-D139 PolarHBondContact O-N 3.36Å; D139-G143 PolarHBondContact O-N 3.15Å; D139-A146 PolarHBondContact OD2-N 3.4Å; D139-A147 PolarHBondContact OD1-N 3.2Å; D139-S148 PolarHBondContact OD1-N 2.85Å; D139-S148 PolarHBondContact OD1-OG 3.45Å
140R71.9Confident70.5Confident182 Ų18256.4 Ų56.469%0.68726%0.256SS*.Hα-helixtrans-68.2-41.9172.8-75.6176.2-179.7179.13.3112.8W136 Y137 F138 Y142 G143W136-R140 WeakPolarHBondContact O-CB 3.35Å; W136-R140 VanDerWaalsContact O-CG 3.25Å; W136-R140 WeakPolarHBondContact O-CG 3.43Å; W136-R140 PolarHBondContact O-N 3.08Å; Y137-R140 PolarHBondContact O-N 3.34Å; F138-R140 VanDerWaalsContact C-N 3.28Å; F138-R140 PolarHBondContact O-N 3.37Å; R140-Y142 VanDerWaalsContact C-N 3.33Å; R140-Y142 PolarHBondContact O-N 3.41Å; R140-G143 PolarHBondContact O-N 3.48Å
141K72.2Confident70.3Confident101 Ų10156.2 Ų56.244%0.43926%0.255SS..Hα-helixtrans-62.5-40.5-179.5-172.8175.2-176.5175.50111.9Y137 F138 E164Y137-K141 PolarHBondContact O-N 3.47Å; F138-K141 PolarHBondContact O-N 2.92Å; K141-E164 IonicContact NZ-OE1 3.62Å; K141-E164 PolarHBondContact NZ-OE1 3.3Å; K141-E164 IonicContact NZ-OE2 2.64Å; K141-E164 PolarHBondContact NZ-OE2 2.86Å
142Y66.2Low70.2Confident108 Ų10856.1 Ų56.142%0.42425%0.254SS..Hα-helixtrans-94.9-8.2-177.1-71.3-79.1000114.1F138 R140 R144 A147 V151F138-Y142 WeakPolarHBondContact O-CD2 3.48Å; F138-Y142 PolarHBondContact O-N 3.33Å; F138-Y142 VanDerWaalsContact O-N 3.08Å; R140-Y142 VanDerWaalsContact C-N 3.33Å; R140-Y142 PolarHBondContact O-N 3.41Å; Y142-R144 PolarHBondContact O-N 3.23Å; Y142-R144 VanDerWaalsContact O-N 3.15Å; Y142-A147 HydrophobicContact CD2-CB 4.4Å; Y142-A147 HydrophobicContact CG-CB 4.2Å; Y142-V151 HydrophobicContact CD2-CG2 3.76Å; Y142-V151 HydrophobicContact CE2-CG2 3.25Å
143G63.3Low70Confident68 Ų6859 Ų5970%0.70126%0.264SS*.THydrogen-bonded Turntrans61.222.2177.800000113.8D139 R140D139-G143 PolarHBondContact O-N 3.15Å; R140-G143 PolarHBondContact O-N 3.48Å
144R64.5Low69.9Low175 Ų17560 Ų6066%0.6627%0.271SS*.SBendtrans-131129.4179.9-68.9-178.7-175.4176.91109.3Y142 A146 A147Y142-R144 PolarHBondContact O-N 3.23Å; Y142-R144 VanDerWaalsContact O-N 3.15Å; R144-A146 PolarHBondContact O-N 2.91Å; R144-A147 HydrophobicContact CB-CB 4.13Å; R144-A147 WeakPolarHBondContact O-CB 3.47Å; R144-A147 PolarHBondContact O-N 3.46Å
145K62.4Low69.8Low58 Ų5860.1 Ų60.125%0.25227%0.273SS..THydrogen-bonded Turntrans-59.8128.5172.2-60.4-172.9-175.6-173.80108.7Y9 D15 D18Y9-K145 HydrophobicContact CD1-CB 4.29Å; Y9-K145 HydrophobicContact CE1-CB 3.8Å; Y9-K145 HydrophobicContact CE1-CG 4.46Å; D15-K145 IonicContact OD2-NZ 3.72Å; D15-K145 PolarHBondContact OD2-NZ 2.91Å; D18-K145 IonicContact OD2-NZ 3.67Å; D18-K145 PolarHBondContact OD2-NZ 3.38Å
146A62.3Low69.8Low8 Ų862 Ų627%0.06628%0.284CS..THydrogen-bonded Turntrans70.916.6-17700000117.2R101 K104 A105 D139 R144 S148 Y149R101-A146 HydrophobicContact CG-CB 3.87Å; K104-A146 HydrophobicContact CB-CB 4.21Å; A105-A146 HydrophobicContact CB-CB 4.36Å; D139-A146 PolarHBondContact OD2-N 3.4Å; R144-A146 PolarHBondContact O-N 2.91Å; A146-S148 PolarHBondContact O-N 3.05Å; A146-Y149 PolarHBondContact O-N 3.28Å
147A63.4Low69.4Low7 Ų764.9 Ų64.96%0.05832%0.315CS..THydrogen-bonded Turntrans-62.8-22.5170.700000112.9D139 Y142 R144 Y149 E150 V151D139-A147 PolarHBondContact OD1-N 3.2Å; Y142-A147 HydrophobicContact CD2-CB 4.4Å; Y142-A147 HydrophobicContact CG-CB 4.2Å; R144-A147 HydrophobicContact CB-CB 4.13Å; R144-A147 WeakPolarHBondContact O-CB 3.47Å; R144-A147 PolarHBondContact O-N 3.46Å; A147-Y149 PolarHBondContact O-N 2.98Å; A147-Y149 VanDerWaalsContact O-N 3.08Å; A147-E150 PolarHBondContact O-N 3.09Å; A147-V151 PolarHBondContact O-N 3.45Å
148S67.5Low69.1Low3 Ų365.7 Ų65.72%0.02133%0.326CS..Hα-helixtrans-44.4-40.7172.6-63.90000113.2A135 D139 A146 E150 V151 F152A135-S148 WeakPolarHBondContact CA-OG 3.35Å; A135-S148 PolarHBondContact O-OG 3.4Å; D139-S148 PolarHBondContact OD1-N 2.85Å; D139-S148 PolarHBondContact OD1-OG 3.45Å; A146-S148 PolarHBondContact O-N 3.05Å; S148-E150 PolarHBondContact O-N 3.43Å; S148-V151 PolarHBondContact O-N 2.96Å; S148-F152 WeakPolarHBondContact O-CD2 3.37Å; S148-F152 WeakPolarHBondContact O-CG 3.46Å; S148-F152 PolarHBondContact O-N 2.93Å
149Y74Confident69Low68 Ų6869.3 Ų69.327%0.26735%0.346SS..Hα-helixtrans-63.8-40-179.5-176.4-88.2000112.8K104 A107 V108 A146 A147 V151 F152 K153 L183K104-Y149 HydrophobicContact CB-CD2 4.26Å; K104-Y149 HydrophobicContact CB-CG 4.02Å; K104-Y149 HydrophobicContact CD-CD1 4.41Å; K104-Y149 HydrophobicContact CG-CD1 4.01Å; K104-Y149 HydrophobicContact CG-CD2 4.29Å; K104-Y149 HydrophobicContact CG-CG 3.87Å; A107-Y149 HydrophobicContact CB-CD2 4.15Å; A107-Y149 HydrophobicContact CB-CE2 4Å; V108-Y149 HydrophobicContact CG2-CD2 4.36Å; A146-Y149 PolarHBondContact O-N 3.28Å; A147-Y149 PolarHBondContact O-N 2.98Å; A147-Y149 VanDerWaalsContact O-N 3.08Å; Y149-V151 VanDerWaalsContact C-N 3.32Å; Y149-F152 PolarHBondContact O-N 3.15Å; Y149-K153 WeakPolarHBondContact O-CB 3.47Å; Y149-K153 PolarHBondContact O-N 3.47Å; Y149-L183 HydrophobicContact CD2-CD1 4.23Å; Y149-L183 HydrophobicContact CE2-CD1 3.38Å
150E73.4Confident68.6Low92 Ų9272.1 Ų72.143%0.4337%0.367SS..Hα-helixtrans-68-36.8177.7-66.6-175.8-178.500111.2A147 S148 K153 K154A147-E150 PolarHBondContact O-N 3.09Å; S148-E150 PolarHBondContact O-N 3.43Å; E150-K153 PolarHBondContact O-N 3.01Å; E150-K154 WeakPolarHBondContact O-CG 3.4Å; E150-K154 PolarHBondContact O-N 3.08Å
151V73.7Confident68.1Low5 Ų564.7 Ų64.73%0.0335%0.345CS..Hα-helixtrans-65.7-46173.8-175.40000110.6F138 Y142 A147 S148 Y149 K153 K154 A155 A161F138-V151 HydrophobicContact CB-CG2 4.12Å; F138-V151 HydrophobicContact CD1-CB 4.21Å; F138-V151 HydrophobicContact CD1-CG1 3.66Å; F138-V151 HydrophobicContact CD1-CG2 4.01Å; F138-V151 HydrophobicContact CD2-CG1 4.25Å; F138-V151 HydrophobicContact CE1-CG1 3.61Å; F138-V151 HydrophobicContact CE2-CG1 4.21Å; F138-V151 HydrophobicContact CG-CB 4.18Å; F138-V151 HydrophobicContact CG-CG1 4Å; F138-V151 HydrophobicContact CG-CG2 4.11Å; F138-V151 HydrophobicContact CZ-CG1 3.9Å; Y142-V151 HydrophobicContact CD2-CG2 3.76Å; Y142-V151 HydrophobicContact CE2-CG2 3.25Å; A147-V151 PolarHBondContact O-N 3.45Å; S148-V151 PolarHBondContact O-N 2.96Å; Y149-V151 VanDerWaalsContact C-N 3.32Å; V151-K153 PolarHBondContact O-N 2.89Å; V151-K154 CarbonylContact O-C 3.46Å; V151-K154 PolarHBondContact O-N 3.27Å; V151-K154 VanDerWaalsContact O-N 3.1Å; V151-A155 WeakPolarHBondContact O-CB 3.4Å; V151-A155 PolarHBondContact O-N 3.41Å; V151-A161 HydrophobicContact CG1-CB 4.31Å
152F74Confident67.4Low1 Ų160.2 Ų60.20%0.00433%0.325CS..Hα-helixtrans-62.4-33.7176.4-72.4-54.7000112.5V108 S148 Y149 A155 V156 L162 I175 I179 L183V108-F152 HydrophobicContact CB-CD2 4.45Å; V108-F152 HydrophobicContact CB-CE2 4.29Å; V108-F152 HydrophobicContact CG1-CD2 4.11Å; V108-F152 HydrophobicContact CG1-CE2 3.48Å; V108-F152 VanDerWaalsContact CG1-CE2 3.48Å; V108-F152 HydrophobicContact CG1-CZ 4.42Å; V108-F152 HydrophobicContact CG2-CD2 3.65Å; V108-F152 HydrophobicContact CG2-CE2 3.93Å; S148-F152 WeakPolarHBondContact O-CD2 3.37Å; S148-F152 WeakPolarHBondContact O-CG 3.46Å; S148-F152 PolarHBondContact O-N 2.93Å; Y149-F152 PolarHBondContact O-N 3.15Å; F152-A155 PolarHBondContact O-N 3.31Å; F152-V156 PolarHBondContact O-N 3.22Å; F152-L162 HydrophobicContact CE1-CD2 4.38Å; F152-I175 HydrophobicContact CE1-CG2 4.35Å; F152-I179 HydrophobicContact CB-CD1 4.49Å; F152-I179 HydrophobicContact CD1-CD1 3.32Å; F152-I179 HydrophobicContact CD1-CG1 4.08Å; F152-I179 HydrophobicContact CE1-CD1 3.81Å; F152-I179 HydrophobicContact CG-CD1 4.21Å; F152-L183 HydrophobicContact CB-CD2 3.84Å
153K73.2Confident67.1Low123 Ų12359.9 Ų59.954%0.53533%0.331SS..Hα-helixtrans-66.1-42.6173-170.5177.8179.3-1770111.6Y149 E150 V151 A155 V156 L183Y149-K153 WeakPolarHBondContact O-CB 3.47Å; Y149-K153 PolarHBondContact O-N 3.47Å; E150-K153 PolarHBondContact O-N 3.01Å; V151-K153 PolarHBondContact O-N 2.89Å; K153-A155 VanDerWaalsContact C-N 3.32Å; K153-V156 WeakPolarHBondContact O-CB 3.1Å; K153-V156 PolarHBondContact O-N 3.43Å; K153-L183 HydrophobicContact CB-CD2 4.21Å
154K72.8Confident67Low126 Ų12661.2 Ų61.255%0.54832%0.319SS..Hα-helixtrans-66.7-34.4173.8-71.8179.3-179.7-179.70112.1E150 V151 V156 G157 D158E150-K154 WeakPolarHBondContact O-CG 3.4Å; E150-K154 PolarHBondContact O-N 3.08Å; V151-K154 CarbonylContact O-C 3.46Å; V151-K154 PolarHBondContact O-N 3.27Å; V151-K154 VanDerWaalsContact O-N 3.1Å; K154-V156 PolarHBondContact O-N 3.35Å; K154-G157 WeakPolarHBondContact O-CA 3.4Å; K154-G157 PolarHBondContact O-N 3.1Å; K154-D158 PolarHBondContact O-N 3.36Å
155A70.4Confident66.6Low4 Ų453.6 Ų53.63%0.03329%0.293CS..Hα-helixtrans-65.1-16.6177.400000113.4V151 F152 K153 G157 D158 A161 L162V151-A155 WeakPolarHBondContact O-CB 3.4Å; V151-A155 PolarHBondContact O-N 3.41Å; F152-A155 PolarHBondContact O-N 3.31Å; K153-A155 VanDerWaalsContact C-N 3.32Å; A155-G157 VanDerWaalsContact C-N 3.34Å; A155-D158 WeakPolarHBondContact CA-O 3.42Å; A155-A161 HydrophobicContact CB-CB 4.29Å; A155-L162 HydrophobicContact CB-CD1 4.33Å; A155-L162 HydrophobicContact CB-CG 4.31Å
156V72.8Confident66.3Low43 Ų4358 Ų5826%0.26132%0.319SS..Hα-helixtrans-69.5-35169.1179.70000111.2F152 K153 K154 I179F152-V156 PolarHBondContact O-N 3.22Å; K153-V156 WeakPolarHBondContact O-CB 3.1Å; K153-V156 PolarHBondContact O-N 3.43Å; K154-V156 PolarHBondContact O-N 3.35Å; V156-I179 HydrophobicContact CG2-CG2 3.57Å
157G68.2Low66.4Low66 Ų6658.8 Ų58.868%0.6832%0.322SS*.Hα-helixtrans-86.9-45.9178.400000113K154 A155K154-G157 WeakPolarHBondContact O-CA 3.4Å; K154-G157 PolarHBondContact O-N 3.1Å; A155-G157 VanDerWaalsContact C-N 3.34Å
158D63.1Low66.8Low114 Ų11463.4 Ų63.461%0.6135%0.345SS*.  trans-116.9109.4-177.5-70-41.4000111.3K154 A155 S160 A161K154-D158 PolarHBondContact O-N 3.36Å; A155-D158 WeakPolarHBondContact CA-O 3.42Å; D158-S160 PolarHBondContact O-N 3.47Å; D158-S160 VanDerWaalsContact O-N 3.16Å; D158-A161 PolarHBondContact O-N 3.36Å
159D68.8Low67.1Low80 Ų8069.7 Ų69.743%0.42838%0.379SS..G310 helixtrans-60.3-23.5175.8-173.558.2000112.9A161 L162 K172 L176D159-A161 VanDerWaalsContact C-N 3.26Å; D159-A161 PolarHBondContact O-N 3.29Å; D159-L162 PolarHBondContact O-N 3.36Å; D159-K172 IonicContact OD1-NZ 2.86Å; D159-K172 IonicContact OD2-NZ 3.85Å; D159-K172 PolarHBondContact OD2-NZ 3.35Å; D159-L176 WeakPolarHBondContact OD1-CD1 3.29Å
160S62.1Low67.2Low83 Ų8371.8 Ų71.858%0.5839%0.394SS*.G310 helixtrans-68.8-18-176.6-55.50000114.6D158 L162 D163D158-S160 PolarHBondContact O-N 3.47Å; D158-S160 VanDerWaalsContact O-N 3.16Å; S160-L162 PolarHBondContact O-N 3.03Å; S160-D163 PolarHBondContact O-N 3.48Å
161A60.8Low67.4Low26 Ų2667.7 Ų67.722%0.21537%0.374CS..G310 helixtrans-65.2-21.8177.800000112.7F138 V151 A155 D158 D159F138-A161 WeakPolarHBondContact CZ-O 3.3Å; V151-A161 HydrophobicContact CG1-CB 4.31Å; A155-A161 HydrophobicContact CB-CB 4.29Å; D158-A161 PolarHBondContact O-N 3.36Å; D159-A161 VanDerWaalsContact C-N 3.26Å; D159-A161 PolarHBondContact O-N 3.29Å
162L59.1Low67.5Low6 Ų668.9 Ų68.93%0.03138%0.379CS..G310 helixtrans-94.2-12.5179.1-69.9167.9000113.3F152 A155 D159 S160 E164 C165 K172 L176F152-L162 HydrophobicContact CE1-CD2 4.38Å; A155-L162 HydrophobicContact CB-CD1 4.33Å; A155-L162 HydrophobicContact CB-CG 4.31Å; D159-L162 PolarHBondContact O-N 3.36Å; S160-L162 PolarHBondContact O-N 3.03Å; L162-E164 PolarHBondContact O-N 3.07Å; L162-C165 WeakPolarHBondContact O-CB 3.34Å; L162-C165 PolarHBondContact O-N 3.22Å; L162-C165 VanDerWaalsContact O-N 3.16Å; L162-K172 HydrophobicContact CB-CD 4.29Å; L162-K172 VanDerWaalsContact CB-CE 3.41Å; L162-K172 HydrophobicContact CB-CG 4.22Å; L162-K172 HydrophobicContact CD1-CG 4.41Å; L162-L176 HydrophobicContact CD1-CD1 4.35Å
163D58.8Low67.8Low102 Ų10275.7 Ų75.755%0.54541%0.411SS..THydrogen-bonded Turntrans-71.4-18179.8-75.3-35.1000113.2S160 C165 K172S160-D163 PolarHBondContact O-N 3.48Å; D163-C165 PolarHBondContact O-N 3.11Å; D163-K172 IonicContact OD1-NZ 3.57Å; D163-K172 PolarHBondContact OD1-NZ 2.75Å; D163-K172 IonicContact OD2-NZ 2.66Å
164E60.7Low68.2Low96 Ų9672.6 Ų72.645%0.44940%0.398SS..THydrogen-bonded Turntrans-75-8.3172.4-68-174.1-162.400113.1Y137 K141 L162Y137-E164 HydrophobicContact CE1-CB 4.29Å; Y137-E164 PolarHBondContact OH-OE2 2.92Å; K141-E164 IonicContact NZ-OE1 3.62Å; K141-E164 PolarHBondContact NZ-OE1 3.3Å; K141-E164 IonicContact NZ-OE2 2.64Å; K141-E164 PolarHBondContact NZ-OE2 2.86Å; L162-E164 PolarHBondContact O-N 3.07Å
165C57.1Low68.6Low15 Ų1566.7 Ų66.710%0.10137%0.372CS..SBendtrans-99.4119-179.1-69.60000110.7R133 F138 L162 D163 I167R133-C165 PolarHBondContact O-SG 3.16Å; R133-C165 VanDerWaalsContact O-SG 3.42Å; F138-C165 VanDerWaalsContact CZ-SG 3.57Å; L162-C165 WeakPolarHBondContact O-CB 3.34Å; L162-C165 PolarHBondContact O-N 3.22Å; L162-C165 VanDerWaalsContact O-N 3.16Å; D163-C165 PolarHBondContact O-N 3.11Å; C165-I167 HydrophobicContact CB-CD1 3.55Å; C165-I167 HydrophobicContact CB-CG1 3.91Å; C165-I167 PolarHBondContact O-N 3.21Å
166D55.9Low69Low150 Ų15067.9 Ų67.980%0.80238%0.378SS*.  trans-65.469.2171.2-70.1-71.3000112.2R133R133-D166 PolarHBondContact NH1-O 2.66Å; R133-D166 VanDerWaalsContact NH1-O 3.14Å
167I64.6Low69.5Low25 Ų2570.1 Ų70.113%0.12839%0.386CS..  trans-123.1137.6-176.6-62.9171.3000108.3R133 T134 C165 D169 T171R133-I167 HydrophobicContact CB-CD1 4.37Å; R133-I167 HydrophobicContact CB-CG1 4.17Å; T134-I167 HydrophobicContact CG2-CD1 3.15Å; T134-I167 HydrophobicContact CG2-CG1 4.49Å; C165-I167 HydrophobicContact CB-CD1 3.55Å; C165-I167 HydrophobicContact CB-CG1 3.91Å; C165-I167 PolarHBondContact O-N 3.21Å; I167-D169 PolarHBondContact O-N 3.42Å; I167-T171 HydrophobicContact CG2-CG2 3.51Å
168D70.8Confident70.1Confident104 Ų10467.2 Ų67.256%0.55635%0.354SS*.  trans-50135.8174.5-65.8-93000111.6I170 T171 K172D168-I170 PolarHBondContact O-N 3.26Å; D168-T171 WeakPolarHBondContact O-CA 3.45Å; D168-T171 WeakPolarHBondContact O-CB 3.48Å; D168-T171 PolarHBondContact O-N 3.4Å; D168-K172 PolarHBondContact O-N 2.96Å
169D73.9Confident71Confident135 Ų13562 Ų6272%0.72233%0.326SS*.Hα-helixtrans-52.2-37.1-178.5-65.8-36.6000112.3I167 T171 K172 E173I167-D169 PolarHBondContact O-N 3.42Å; D169-T171 VanDerWaalsContact C-N 3.3Å; D169-T171 PolarHBondContact O-N 3.33Å; D169-K172 PolarHBondContact O-N 3.48Å; D169-E173 WeakPolarHBondContact O-CB 3.19Å; D169-E173 PolarHBondContact O-N 3.36Å
170I77.9Confident71.5Confident112 Ų11263.1 Ų63.157%0.57433%0.327SS*.Hα-helixtrans-62-39.4177.4-57173000111.1L119 D168 K174L119-I170 HydrophobicContact CD2-CG2 4.33Å; D168-I170 PolarHBondContact O-N 3.26Å; I170-K174 WeakPolarHBondContact O-CG 3.33Å; I170-K174 PolarHBondContact O-N 3.2Å
171T75.8Confident72.3Confident5 Ų565.4 Ų65.43%0.03133%0.327CS..Hα-helixtrans-76.1-40179.3-58.70000110.2V115 L119 L130 I167 D168 D169 E173 K174 I175V115-T171 HydrophobicContact CG1-CG2 4.31Å; L119-T171 HydrophobicContact CD1-CG2 3.72Å; L119-T171 WeakPolarHBondContact CD1-OG1 3.29Å; L130-T171 HydrophobicContact CD1-CG2 3.71Å; I167-T171 HydrophobicContact CG2-CG2 3.51Å; D168-T171 WeakPolarHBondContact O-CA 3.45Å; D168-T171 WeakPolarHBondContact O-CB 3.48Å; D168-T171 PolarHBondContact O-N 3.4Å; D169-T171 VanDerWaalsContact C-N 3.3Å; D169-T171 PolarHBondContact O-N 3.33Å; T171-E173 PolarHBondContact O-N 3.32Å; T171-K174 PolarHBondContact O-N 3Å; T171-I175 HydrophobicContact CG2-CD1 3.78Å; T171-I175 HydrophobicContact CG2-CG1 4.33Å; T171-I175 WeakPolarHBondContact O-CB 3.37Å; T171-I175 WeakPolarHBondContact O-CG1 3.39Å; T171-I175 PolarHBondContact O-N 3.21Å
172K76.1Confident72.9Confident31 Ų3171.3 Ų71.314%0.13534%0.343CS..Hα-helixtrans-58.3-47.2174.9-170.8-171.4178.2-159.80111.3D159 L162 D163 D168 D169 I175 L176D159-K172 IonicContact OD1-NZ 2.86Å; D159-K172 IonicContact OD2-NZ 3.85Å; D159-K172 PolarHBondContact OD2-NZ 3.35Å; L162-K172 HydrophobicContact CB-CD 4.29Å; L162-K172 VanDerWaalsContact CB-CE 3.41Å; L162-K172 HydrophobicContact CB-CG 4.22Å; L162-K172 HydrophobicContact CD1-CG 4.41Å; D163-K172 IonicContact OD1-NZ 3.57Å; D163-K172 PolarHBondContact OD1-NZ 2.75Å; D163-K172 IonicContact OD2-NZ 2.66Å; D168-K172 PolarHBondContact O-N 2.96Å; D169-K172 PolarHBondContact O-N 3.48Å; K172-I175 PolarHBondContact O-N 3.37Å; K172-L176 WeakPolarHBondContact O-CB 2.98Å; K172-L176 PolarHBondContact O-N 3.38Å
173E80.8Confident73.6Confident143 Ų14371.7 Ų71.767%0.66835%0.345SS*.Hα-helixtrans-62.1-46.5179.7-171.7179-173.500111.7D169 T171 I175 L176 E177D169-E173 WeakPolarHBondContact O-CB 3.19Å; D169-E173 PolarHBondContact O-N 3.36Å; T171-E173 PolarHBondContact O-N 3.32Å; E173-I175 PolarHBondContact O-N 3.23Å; E173-L176 PolarHBondContact O-N 3.39Å; E173-E177 WeakPolarHBondContact O-CB 3.42Å; E173-E177 PolarHBondContact O-N 2.69Å
174K80.8Confident73.9Confident58 Ų5870.4 Ų70.425%0.25234%0.341SS..Hα-helixtrans-64.1-38.3176.6-74.7-176.3-179.3179.20112.8V115 Q118 L119 I170 T171 N178V115-K174 HydrophobicContact CG1-CB 4.42Å; Q118-K174 HydrophobicContact CB-CD 4.37Å; Q118-K174 PolarHBondContact O-NZ 3.25Å; L119-K174 HydrophobicContact CD2-CD 3.91Å; L119-K174 HydrophobicContact CG-CD 4.11Å; I170-K174 WeakPolarHBondContact O-CG 3.33Å; I170-K174 PolarHBondContact O-N 3.2Å; T171-K174 PolarHBondContact O-N 3Å; K174-N178 WeakPolarHBondContact O-CB 3.4Å; K174-N178 PolarHBondContact O-N 3.37Å; K174-N178 PolarHBondContact O-ND2 2.92Å
175I81.2Confident74.3Confident2 Ų268.2 Ų68.21%0.0134%0.336CS..Hα-helixtrans-60.8-49.7174.6-73.6169.3000109.2L112 V115 T134 F152 T171 K172 E173 E177 N178 I179L112-I175 HydrophobicContact CD2-CD1 4.38Å; V115-I175 HydrophobicContact CB-CG1 4.33Å; V115-I175 HydrophobicContact CG1-CG1 3.75Å; V115-I175 HydrophobicContact CG2-CG1 3.9Å; T134-I175 HydrophobicContact CG2-CD1 4.07Å; F152-I175 HydrophobicContact CE1-CG2 4.35Å; T171-I175 HydrophobicContact CG2-CD1 3.78Å; T171-I175 HydrophobicContact CG2-CG1 4.33Å; T171-I175 WeakPolarHBondContact O-CB 3.37Å; T171-I175 WeakPolarHBondContact O-CG1 3.39Å; T171-I175 PolarHBondContact O-N 3.21Å; K172-I175 PolarHBondContact O-N 3.37Å; E173-I175 PolarHBondContact O-N 3.23Å; I175-E177 PolarHBondContact O-N 3.36Å; I175-N178 PolarHBondContact O-N 2.7Å; I175-I179 HydrophobicContact CG2-CD1 3.37Å; I175-I179 HydrophobicContact CG2-CG1 4.12Å; I175-I179 WeakPolarHBondContact O-CD1 3.48Å; I175-I179 WeakPolarHBondContact O-CG1 3.37Å; I175-I179 PolarHBondContact O-N 3.24Å
176L79.9Confident75.1Confident30 Ų3075.4 Ų75.416%0.15737%0.368CS..Hα-helixtrans-64.6-39.9-178.1-173.2144.6000112.5D159 L162 K172 E173 N178 I179 K180D159-L176 WeakPolarHBondContact OD1-CD1 3.29Å; L162-L176 HydrophobicContact CD1-CD1 4.35Å; K172-L176 WeakPolarHBondContact O-CB 2.98Å; K172-L176 PolarHBondContact O-N 3.38Å; E173-L176 PolarHBondContact O-N 3.39Å; L176-N178 VanDerWaalsContact C-N 3.34Å; L176-N178 PolarHBondContact O-N 3.44Å; L176-I179 PolarHBondContact O-N 2.98Å; L176-K180 HydrophobicContact CD2-CD 3.76Å; L176-K180 HydrophobicContact CD2-CG 4.39Å; L176-K180 WeakPolarHBondContact O-CB 3.45Å; L176-K180 WeakPolarHBondContact O-CG 3.09Å; L176-K180 PolarHBondContact O-N 3.08Å
177E83Confident76.1Confident90 Ų9070.8 Ų70.842%0.42135%0.351SS..Hα-helixtrans-60.8-44.2173.6-165.5-168.5172.400111.3E173 I175 K180 K181E173-E177 WeakPolarHBondContact O-CB 3.42Å; E173-E177 PolarHBondContact O-N 2.69Å; I175-E177 PolarHBondContact O-N 3.36Å; E177-K180 PolarHBondContact O-N 2.86Å; E177-K181 WeakPolarHBondContact O-CG 2.99Å; E177-K181 PolarHBondContact O-N 3.25Å; E177-K181 VanDerWaalsContact OE1-CE 3.29Å; E177-K181 WeakPolarHBondContact OE1-CE 3.28Å; E177-K181 IonicContact OE1-NZ 3.02Å; E177-K181 PolarHBondContact OE1-NZ 2.91Å
178N81.4Confident77Confident5 Ų570.9 Ų70.93%0.02735%0.352CS..Hα-helixtrans-70.6-36.9179.2-80.9-64.9000113.1I111 H114 V115 Q118 K174 I175 L176 K181 R182I111-N178 HydrophobicContact CG2-CB 4.13Å; H114-N178 PolarHBondContact CD2-OD1 2.72Å; H114-N178 VanDerWaalsContact CD2-OD1 3.24Å; V115-N178 HydrophobicContact CG2-CB 4.12Å; Q118-N178 PolarHBondContact OE1-ND2 3.42Å; Q118-N178 VanDerWaalsContact OE1-ND2 3.11Å; K174-N178 WeakPolarHBondContact O-CB 3.4Å; K174-N178 PolarHBondContact O-N 3.37Å; K174-N178 PolarHBondContact O-ND2 2.92Å; I175-N178 PolarHBondContact O-N 2.7Å; L176-N178 VanDerWaalsContact C-N 3.34Å; L176-N178 PolarHBondContact O-N 3.44Å; N178-K181 PolarHBondContact O-N 3.38Å; N178-R182 WeakPolarHBondContact O-CB 3.26Å; N178-R182 PolarHBondContact O-N 2.8Å
179I81.3Confident77.6Confident3 Ų370 Ų702%0.01534%0.344CS..Hα-helixtrans-63.1-46.7172.7-66161.7000109.3I111 F152 V156 I175 L176 K181 R182 L183I111-I179 HydrophobicContact CD1-CG1 4.47Å; I111-I179 HydrophobicContact CG2-CG1 4.11Å; F152-I179 HydrophobicContact CB-CD1 4.49Å; F152-I179 HydrophobicContact CD1-CD1 3.32Å; F152-I179 HydrophobicContact CD1-CG1 4.08Å; F152-I179 HydrophobicContact CE1-CD1 3.81Å; F152-I179 HydrophobicContact CG-CD1 4.21Å; V156-I179 HydrophobicContact CG2-CG2 3.57Å; I175-I179 HydrophobicContact CG2-CD1 3.37Å; I175-I179 HydrophobicContact CG2-CG1 4.12Å; I175-I179 WeakPolarHBondContact O-CD1 3.48Å; I175-I179 WeakPolarHBondContact O-CG1 3.37Å; I175-I179 PolarHBondContact O-N 3.24Å; L176-I179 PolarHBondContact O-N 2.98Å; I179-K181 VanDerWaalsContact C-N 3.3Å; I179-K181 PolarHBondContact O-N 2.79Å; I179-R182 PolarHBondContact O-N 3.3Å; I179-L183 HydrophobicContact CG2-CB 3.9Å; I179-L183 HydrophobicContact CG2-CD2 4.05Å; I179-L183 VanDerWaalsContact O-CA 3.29Å; I179-L183 WeakPolarHBondContact O-CA 3.46Å; I179-L183 WeakPolarHBondContact O-CB 3.28Å; I179-L183 PolarHBondContact O-N 3Å
180K78.9Confident78.2Confident104 Ų10463.6 Ų63.645%0.45231%0.309SS..Hα-helixtrans-59.3-40.9176.7-75.7179.7178.2175.10111.9L176 E177 T184L176-K180 HydrophobicContact CD2-CD 3.76Å; L176-K180 HydrophobicContact CD2-CG 4.39Å; L176-K180 WeakPolarHBondContact O-CB 3.45Å; L176-K180 WeakPolarHBondContact O-CG 3.09Å; L176-K180 PolarHBondContact O-N 3.08Å; E177-K180 PolarHBondContact O-N 2.86Å; K180-T184 VanDerWaalsContact O-CB 3.28Å; K180-T184 WeakPolarHBondContact O-CB 3.43Å; K180-T184 WeakPolarHBondContact O-CG2 3.24Å; K180-T184 PolarHBondContact O-N 3.49Å; K180-T184 PolarHBondContact O-OG1 3.47Å
181K79.5Confident78.5Confident131 Ų13160.1 Ų60.157%0.5729%0.289SS*.Hα-helixtrans-68.4-39.2178.4-73.6175.7-174.3169.40113.7E177 N178 I179E177-K181 WeakPolarHBondContact O-CG 2.99Å; E177-K181 PolarHBondContact O-N 3.25Å; E177-K181 VanDerWaalsContact OE1-CE 3.29Å; E177-K181 WeakPolarHBondContact OE1-CE 3.28Å; E177-K181 IonicContact OE1-NZ 3.02Å; E177-K181 PolarHBondContact OE1-NZ 2.91Å; N178-K181 PolarHBondContact O-N 3.38Å; I179-K181 VanDerWaalsContact C-N 3.3Å; I179-K181 PolarHBondContact O-N 2.79Å
182R74.5Confident79Confident150 Ų15059.9 Ų59.957%0.56629%0.288SS*.Hα-helixtrans-96.8-24.6-172.9-73.1178.6175-97.24114.3I111 N178 I179I111-R182 HydrophobicContact CG1-CB 4.32Å; N178-R182 WeakPolarHBondContact O-CB 3.26Å; N178-R182 PolarHBondContact O-N 2.8Å; I179-R182 PolarHBondContact O-N 3.3Å
183L72.5Confident79.6Confident14 Ų1460 Ų607%0.07329%0.289CS..Hα-helixtrans-122.84.7-166.8-144.774.5000113.5Y149 F152 K153 I179 P185Y149-L183 HydrophobicContact CD2-CD1 4.23Å; Y149-L183 HydrophobicContact CE2-CD1 3.38Å; F152-L183 HydrophobicContact CB-CD2 3.84Å; K153-L183 HydrophobicContact CB-CD2 4.21Å; I179-L183 HydrophobicContact CG2-CB 3.9Å; I179-L183 HydrophobicContact CG2-CD2 4.05Å; I179-L183 VanDerWaalsContact O-CA 3.29Å; I179-L183 WeakPolarHBondContact O-CA 3.46Å; I179-L183 WeakPolarHBondContact O-CB 3.28Å; I179-L183 PolarHBondContact O-N 3Å; L183-P185 WeakPolarHBondContact O-CD 3.31Å; L183-P185 VanDerWaalsContact O-N 3.13Å
184T66.2Low79.9Confident75 Ų7553.1 Ų53.146%0.4626%0.257SS..PPolyproline II helixtrans-58.6120.5167.631.60000108.2K180 Q186K180-T184 VanDerWaalsContact O-CB 3.28Å; K180-T184 WeakPolarHBondContact O-CB 3.43Å; K180-T184 WeakPolarHBondContact O-CG2 3.24Å; K180-T184 PolarHBondContact O-N 3.49Å; K180-T184 PolarHBondContact O-OG1 3.47Å; T184-Q186 PolarHBondContact O-N 2.84Å
185P69.2Low80.2Confident50 Ų5052.4 Ų52.433%0.32526%0.255SS..PPolyproline II helixtrans-58.1128.7175.423.1-30.2000107.6L183 A187 F241L183-P185 WeakPolarHBondContact O-CD 3.31Å; L183-P185 VanDerWaalsContact O-N 3.13Å; P185-A187 PolarHBondContact O-N 3.43Å; P185-F241 HydrophobicContact CG-CB 4.3Å; P185-F241 HydrophobicContact CG-CD1 4.01Å; P185-F241 WeakPolarHBondContact O-CD1 3.35Å
186Q72.7Confident80.3Confident166 Ų16652.6 Ų52.678%0.77626%0.256SS*.PPolyproline II helixtrans-62133.3171.5-67.3-177.3200108T184 V188T184-Q186 PolarHBondContact O-N 2.84Å; Q186-V188 PolarHBondContact O-N 3.45Å
187A77.2Confident80.6Confident54 Ų5453 Ų5345%0.44626%0.258SS..PPolyproline II helixtrans-61.3121.9179.100000108.9P185 F241P185-A187 PolarHBondContact O-N 3.43Å; A187-F241 HydrophobicContact CB-CD1 4.4Å; A187-F241 HydrophobicContact CB-CE1 4.09Å
188V82.9Confident80.6Confident27 Ų2749.9 Ų49.916%0.16425%0.246CC..EExtended strand (participates in β ladder)trans-88.5130.4179178.20000108.2Q186 T240 V276Q186-V188 PolarHBondContact O-N 3.45Å; V188-T240 PolarHBondContact N-O 3.31Å; V188-T240 PolarHBondContact O-N 3.31Å; V188-V276 HydrophobicContact CG1-CB 4.14Å; V188-V276 HydrophobicContact CG1-CG1 3.26Å; V188-V276 HydrophobicContact CG1-CG2 4.05Å
189K84Confident80.4Confident86 Ų8658 Ų5837%0.37428%0.282SS..EExtended strand (participates in β ladder)trans-86.5126.8171.8-59.6-172.5-156.8148.70109.2L238 T239 V277 E282K189-L238 CarbonylContact C-O 3.46Å; K189-L238 WeakPolarHBondContact CA-O 3.45Å; K189-T239 HydrophobicContact CG-CG2 3.9Å; K189-V277 PolarHBondContact O-N 3.2Å; K189-E282 VanDerWaalsContact CD-OE1 3.31Å; K189-E282 WeakPolarHBondContact CD-OE1 3.37Å; K189-E282 WeakPolarHBondContact CE-OE1 3.44Å; K189-E282 IonicContact NZ-OE1 3.52Å; K189-E282 PolarHBondContact NZ-OE1 2.84Å; K189-E282 IonicContact NZ-OE2 2.96Å
190I86Confident80.3Confident0 Ų060 Ų600%030%0.303CS..EExtended strand (participates in β ladder)trans-105.9128.1172-59.6175.9000106.6T237 L238 T240 L247 V250 P274 K275 V276I190-T237 CarbonylContact O-C 3.51Å; I190-T237 WeakPolarHBondContact O-CA 3.43Å; I190-L238 HydrophobicContact CB-CB 4.43Å; I190-L238 PolarHBondContact N-O 2.86Å; I190-L238 PolarHBondContact O-N 3.46Å; I190-T240 HydrophobicContact CD1-CG2 3.61Å; I190-T240 HydrophobicContact CG1-CG2 4.23Å; I190-L247 HydrophobicContact CD1-CD2 4.48Å; I190-L247 HydrophobicContact CD1-CG 4.35Å; I190-L247 HydrophobicContact CG2-CD2 4.21Å; I190-V250 HydrophobicContact CG2-CG2 4.09Å; I190-P274 HydrophobicContact CG2-CB 3.91Å; I190-K275 WeakPolarHBondContact CA-O 3.36Å; I190-V276 HydrophobicContact CG1-CG2 4.11Å
191R84.8Confident80.1Confident39 Ų3967.5 Ų67.515%0.14733%0.33CS..EExtended strand (participates in β ladder)trans-121.4139.1179.4-175.9177.2165.4151-9.8110.4D193 V235 V236 P274 K275 V277R191-D193 IonicContact CZ-OD1 3.62Å; R191-D193 IonicContact NE-OD1 3.48Å; R191-D193 PolarHBondContact NE-OD1 3.42Å; R191-D193 IonicContact NH2-OD1 2.96Å; R191-D193 PolarHBondContact NH2-OD1 2.96Å; R191-V235 HydrophobicContact CG-CG1 3.55Å; R191-V235 VanDerWaalsContact NE-CG1 3.32Å; R191-V236 CarbonylContact C-O 3.34Å; R191-V236 WeakPolarHBondContact CA-O 3.46Å; R191-P274 WeakPolarHBondContact O-CA 3.41Å; R191-K275 PolarHBondContact N-O 3.19Å; R191-K275 PolarHBondContact O-N 2.88Å; R191-V277 HydrophobicContact CB-CG2 3.42Å; R191-V277 VanDerWaalsContact CB-CG2 3.42Å
192S86.3Confident80.2Confident0 Ų066.3 Ų66.30%033%0.33CS..EExtended strand (participates in β ladder)trans-134.2136.2169.8-173.50000109.6V235 V236 L272S192-V235 WeakPolarHBondContact O-CA 3.41Å; S192-V236 PolarHBondContact N-O 3.38Å; S192-V236 PolarHBondContact O-N 2.98Å; S192-L272 WeakPolarHBondContact CA-O 3.31Å; S192-L272 PolarHBondContact OG-O 3.4Å
193D88Confident80.5Confident32 Ų3259.6 Ų59.617%0.17131%0.307CS..EExtended strand (participates in β ladder)trans-104.9125.3178.1-57.2-18.3000108.7R191 V235 V271 L272R191-D193 IonicContact CZ-OD1 3.62Å; R191-D193 IonicContact NE-OD1 3.48Å; R191-D193 PolarHBondContact NE-OD1 3.42Å; R191-D193 IonicContact NH2-OD1 2.96Å; R191-D193 PolarHBondContact NH2-OD1 2.96Å; D193-V235 WeakPolarHBondContact OD1-CG2 3.46Å; D193-V271 HydrophobicContact CB-CB 4.38Å; D193-V271 PolarHBondContact O-N 3.24Å; D193-L272 HydrophobicContact CB-CB 3.8Å; D193-L272 PolarHBondContact N-O 2.82Å; D193-L272 VanDerWaalsContact N-O 3.08Å; D193-L272 PolarHBondContact O-N 2.92Å; D193-L272 VanDerWaalsContact O-N 3.09Å
194I87Confident80.8Confident0 Ų064.8 Ų64.80%033%0.334CS..EExtended strand (participates in β ladder)trans-124.5139.5-175.246.4161.6000110.4V196 L211 Y234 V236 L254 I257 F268 V270I194-V196 HydrophobicContact CD1-CG2 4.34Å; I194-L211 HydrophobicContact CD1-CD2 4.48Å; I194-Y234 WeakPolarHBondContact CG1-O 3.21Å; I194-Y234 PolarHBondContact N-O 2.74Å; I194-Y234 PolarHBondContact O-N 3.02Å; I194-Y234 VanDerWaalsContact O-O 3.13Å; I194-V236 HydrophobicContact CD1-CG2 3.75Å; I194-V236 HydrophobicContact CG1-CG2 4.14Å; I194-L254 HydrophobicContact CG2-CD2 3.48Å; I194-L254 VanDerWaalsContact CG2-CD2 3.48Å; I194-I257 HydrophobicContact CD1-CD1 4.33Å; I194-F268 HydrophobicContact CB-CE2 3.76Å; I194-F268 HydrophobicContact CB-CZ 4.16Å; I194-F268 HydrophobicContact CD1-CE2 4.28Å; I194-F268 HydrophobicContact CG2-CE2 3.61Å; I194-F268 HydrophobicContact CG2-CZ 3.49Å; I194-F268 VanDerWaalsContact CG2-CZ 3.49Å; I194-V270 HydrophobicContact CG2-CG2 4.4Å
195E87.8Confident81.6Confident42 Ų4265 Ų6520%0.19633%0.332CS..EExtended strand (participates in β ladder)trans-106.2122.8174-164-170.9149.400108.2N197 P232 L233 F268 K269 V271E195-N197 PolarHBondContact OE1-ND2 2.94Å; E195-P232 WeakPolarHBondContact CA-O 3.42Å; E195-P232 HydrophobicContact CG-CB 4.08Å; E195-P232 HydrophobicContact CG-CG 3.71Å; E195-L233 HydrophobicContact CB-CD2 4.17Å; E195-L233 HydrophobicContact CG-CD2 4.12Å; E195-F268 WeakPolarHBondContact O-CA 3.31Å; E195-K269 WeakPolarHBondContact CA-O 3.26Å; E195-K269 HydrophobicContact CB-CB 4.19Å; E195-K269 WeakPolarHBondContact CB-O 3.29Å; E195-K269 PolarHBondContact N-O 3.45Å; E195-K269 PolarHBondContact O-N 3.18Å; E195-V271 HydrophobicContact CB-CG2 4.03Å
196V83.5Confident82.3Confident6 Ų663.1 Ų63.14%0.03632%0.321CS..EExtended strand (participates in β ladder)trans-122.1114.3-179.6-177.60000109.2I194 V207 P232 Y234 I261 F268I194-V196 HydrophobicContact CD1-CG2 4.34Å; V196-V207 HydrophobicContact CG1-CG1 4.15Å; V196-V207 HydrophobicContact CG1-CG2 3.87Å; V196-P232 PolarHBondContact N-O 2.83Å; V196-P232 WeakPolarHBondContact O-CB 3.32Å; V196-Y234 HydrophobicContact CB-CD2 4.05Å; V196-Y234 HydrophobicContact CB-CE2 3.93Å; V196-Y234 HydrophobicContact CG2-CD2 3.99Å; V196-Y234 HydrophobicContact CG2-CE2 4.34Å; V196-I261 HydrophobicContact CB-CD1 4.11Å; V196-I261 HydrophobicContact CG1-CD1 3.38Å; V196-I261 HydrophobicContact CG1-CG1 3.81Å; V196-I261 HydrophobicContact CG1-CG2 4.41Å; V196-I261 HydrophobicContact CG2-CD1 3.68Å; V196-F268 HydrophobicContact CG2-CD2 4.12Å; V196-F268 HydrophobicContact CG2-CE2 4.47Å
197N85.7Confident82.8Confident39 Ų3955.9 Ų55.921%0.20929%0.288CS..EExtended strand (participates in β ladder)trans-117.5130.6174.1-62.5-48.1000110E195 F199 P232 G266 T267E195-N197 PolarHBondContact OE1-ND2 2.94Å; N197-F199 HydrophobicContact CB-CE2 4.38Å; N197-P232 WeakPolarHBondContact OD1-CB 3.45Å; N197-P232 VanDerWaalsContact OD1-CG 3.23Å; N197-P232 WeakPolarHBondContact OD1-CG 3.41Å; N197-G266 CarbonylContact O-C 3.53Å; N197-G266 WeakPolarHBondContact O-CA 3.18Å; N197-T267 WeakPolarHBondContact CB-OG1 3.17Å; N197-T267 PolarHBondContact N-O 2.97Å; N197-T267 PolarHBondContact O-N 2.99Å
198C82.3Confident83.2Confident24 Ų2458.8 Ų58.816%0.16229%0.291CS..EExtended strand (participates in β ladder)trans-130.8117.8170.4-73.50000109V207C198-V207 HydrophobicContact CB-CG2 4.19Å
199F78.1Confident83.3Confident176 Ų17661.3 Ų61.377%0.77231%0.306SS*.  trans-91.24.9-178.1-64.2-74.9000114.2N197N197-F199 HydrophobicContact CB-CE2 4.38Å
200G78.7Confident83.3Confident44 Ų4457.2 Ų57.245%0.45429%0.289SS..SBendtrans-74.7157.2178.300000112.9D202 G203G200-D202 PolarHBondContact O-N 3.29Å; G200-D202 VanDerWaalsContact O-N 3.12Å; G200-G203 WeakPolarHBondContact O-CA 3.34Å; G200-G203 PolarHBondContact O-N 2.9Å
201Y76.3Confident83.2Confident262 Ų26258.5 Ų58.5100%1.02730%0.295SS*.THydrogen-bonded Turntrans-56.6-25.3171.1-82.5-87.5000112.8
202D80.7Confident83.2Confident106 Ų10661 Ų6157%0.56731%0.311SS*.THydrogen-bonded Turntrans-104.123.9177.2-153.923.4000112.6G200 I204 D205 A206G200-D202 PolarHBondContact O-N 3.29Å; G200-D202 VanDerWaalsContact O-N 3.12Å; D202-I204 VanDerWaalsContact C-N 3.32Å; D202-I204 PolarHBondContact O-N 2.89Å; D202-D205 PolarHBondContact O-N 2.92Å; D202-D205 WeakPolarHBondContact OD1-CB 3.44Å; D202-A206 WeakPolarHBondContact O-CB 3.08Å; D202-A206 PolarHBondContact O-N 2.85Å
203G79.7Confident83Confident9 Ų964.2 Ų64.29%0.09333%0.326CS..Hα-helixtrans-60.7-37-169.800000113.9G200 V207G200-G203 WeakPolarHBondContact O-CA 3.34Å; G200-G203 PolarHBondContact O-N 2.9Å; G203-V207 WeakPolarHBondContact O-CG2 2.93Å; G203-V207 PolarHBondContact O-N 3.05Å
204I79.8Confident82.6Confident123 Ų12362.7 Ų62.763%0.63132%0.318SS*.Hα-helixtrans-69.2-40.5-180-60172.1000110.9D202 V207 K208D202-I204 VanDerWaalsContact C-N 3.32Å; D202-I204 PolarHBondContact O-N 2.89Å; I204-V207 PolarHBondContact O-N 2.75Å; I204-K208 HydrophobicContact CG2-CD 4.38Å; I204-K208 WeakPolarHBondContact O-CG 3.42Å; I204-K208 PolarHBondContact O-N 2.59Å
205D83.9Confident82.3Confident79 Ų7965.8 Ų65.842%0.42233%0.334SS..Hα-helixtrans-74.2-35.4179.6-71.7-21.8000111D202 V207 K208 V209D202-D205 PolarHBondContact O-N 2.92Å; D202-D205 WeakPolarHBondContact OD1-CB 3.44Å; D205-V207 VanDerWaalsContact C-N 3.34Å; D205-V207 PolarHBondContact O-N 3.18Å; D205-K208 PolarHBondContact O-N 3.42Å; D205-K208 IonicContact OD1-NZ 2.75Å; D205-V209 WeakPolarHBondContact O-CB 3.39Å; D205-V209 VanDerWaalsContact O-CG2 3.24Å; D205-V209 WeakPolarHBondContact O-CG2 3.25Å; D205-V209 PolarHBondContact O-N 2.96Å
206A82.9Confident81.7Confident12 Ų1270.3 Ų70.310%0.09935%0.353CS..Hα-helixtrans-57-45.5168.500000112.4D202 V209 A210 S264D202-A206 WeakPolarHBondContact O-CB 3.08Å; D202-A206 PolarHBondContact O-N 2.85Å; A206-V209 PolarHBondContact O-N 2.97Å; A206-A210 WeakPolarHBondContact O-CB 3.4Å; A206-A210 PolarHBondContact O-N 3.33Å; A206-S264 VanDerWaalsContact CB-CB 3.46Å
207V83.9Confident80.9Confident13 Ų1370.9 Ų70.98%0.07936%0.358CS..Hα-helixtrans-63.8-46.8177177.50000110.5V196 C198 G203 I204 D205 V209 A210 L211 Y234V196-V207 HydrophobicContact CG1-CG1 4.15Å; V196-V207 HydrophobicContact CG1-CG2 3.87Å; C198-V207 HydrophobicContact CB-CG2 4.19Å; G203-V207 WeakPolarHBondContact O-CG2 2.93Å; G203-V207 PolarHBondContact O-N 3.05Å; I204-V207 PolarHBondContact O-N 2.75Å; D205-V207 VanDerWaalsContact C-N 3.34Å; D205-V207 PolarHBondContact O-N 3.18Å; V207-V209 VanDerWaalsContact C-N 3.33Å; V207-V209 PolarHBondContact O-N 2.66Å; V207-A210 PolarHBondContact O-N 3.22Å; V207-L211 HydrophobicContact CG1-CD1 3.96Å; V207-L211 HydrophobicContact CG1-CG 4.22Å; V207-L211 WeakPolarHBondContact O-CB 3.43Å; V207-L211 VanDerWaalsContact O-CG 3.3Å; V207-L211 WeakPolarHBondContact O-CG 3.5Å; V207-L211 PolarHBondContact O-N 2.89Å; V207-Y234 HydrophobicContact CG1-CE2 4.33Å
208K84.5Confident80.1Confident115 Ų11576.8 Ų76.850%0.538%0.378SS..Hα-helixtrans-61-40.4178.3-75.3174.3-174.4165.10112.6I204 D205 N212I204-K208 HydrophobicContact CG2-CD 4.38Å; I204-K208 WeakPolarHBondContact O-CG 3.42Å; I204-K208 PolarHBondContact O-N 2.59Å; D205-K208 PolarHBondContact O-N 3.42Å; D205-K208 IonicContact OD1-NZ 2.75Å; K208-N212 WeakPolarHBondContact O-CB 3.49Å; K208-N212 PolarHBondContact O-N 3.01Å; K208-N212 PolarHBondContact O-ND2 2.64Å
209V85.1Confident79.4Confident80 Ų8078.9 Ų78.949%0.48539%0.39SS..Hα-helixtrans-65.2-46.8177.1171.70000110D205 A206 V207 L211 N212 E213D205-V209 WeakPolarHBondContact O-CB 3.39Å; D205-V209 VanDerWaalsContact O-CG2 3.24Å; D205-V209 WeakPolarHBondContact O-CG2 3.25Å; D205-V209 PolarHBondContact O-N 2.96Å; A206-V209 PolarHBondContact O-N 2.97Å; V207-V209 VanDerWaalsContact C-N 3.33Å; V207-V209 PolarHBondContact O-N 2.66Å; V209-L211 PolarHBondContact O-N 3.26Å; V209-N212 PolarHBondContact O-N 3.21Å; V209-E213 WeakPolarHBondContact O-CG 3.36Å; V209-E213 PolarHBondContact O-N 3.19Å
210A84.5Confident78.7Confident1 Ų177 Ų771%0.00839%0.393CS..Hα-helixtrans-59.9-44.7177.700000112.5A206 V207 E213 G214 I261A206-A210 WeakPolarHBondContact O-CB 3.4Å; A206-A210 PolarHBondContact O-N 3.33Å; V207-A210 PolarHBondContact O-N 3.22Å; A210-E213 PolarHBondContact O-N 3.42Å; A210-G214 PolarHBondContact O-N 2.99Å; A210-I261 HydrophobicContact CB-CD1 4.38Å; A210-I261 HydrophobicContact CB-CG1 3.73Å
211L84.1Confident78Confident26 Ų2682.2 Ų82.214%0.13641%0.406CS..Hα-helixtrans-65.8-39.7177.6-67.1-177.5000112I194 V207 V209 G214 L215 I226 Y234 I257I194-L211 HydrophobicContact CD1-CD2 4.48Å; V207-L211 HydrophobicContact CG1-CD1 3.96Å; V207-L211 HydrophobicContact CG1-CG 4.22Å; V207-L211 WeakPolarHBondContact O-CB 3.43Å; V207-L211 VanDerWaalsContact O-CG 3.3Å; V207-L211 WeakPolarHBondContact O-CG 3.5Å; V207-L211 PolarHBondContact O-N 2.89Å; V209-L211 PolarHBondContact O-N 3.26Å; L211-G214 PolarHBondContact O-N 3.27Å; L211-L215 WeakPolarHBondContact O-CG 3.03Å; L211-L215 PolarHBondContact O-N 3.26Å; L211-I226 HydrophobicContact CD2-CD1 4.26Å; L211-I226 HydrophobicContact CD2-CG2 4.05Å; L211-Y234 HydrophobicContact CD1-CD1 3.82Å; L211-Y234 HydrophobicContact CD1-CE1 3.69Å; L211-I257 HydrophobicContact CD2-CD1 4.47Å
212N85.4Confident77.7Confident92 Ų9270.4 Ų70.449%0.49236%0.36SS..Hα-helixtrans-66.5-36174.6-84.4-47000112.6K208 V209 G214 L215 K216K208-N212 WeakPolarHBondContact O-CB 3.49Å; K208-N212 PolarHBondContact O-N 3.01Å; K208-N212 PolarHBondContact O-ND2 2.64Å; V209-N212 PolarHBondContact O-N 3.21Å; N212-G214 VanDerWaalsContact C-N 3.31Å; N212-L215 PolarHBondContact O-N 3.36Å; N212-K216 WeakPolarHBondContact O-CG 3.38Å; N212-K216 PolarHBondContact O-N 3.39Å
213E80.3Confident77.5Confident67 Ų6768.7 Ų68.731%0.31336%0.355SS..Hα-helixtrans-67.8-33.1173.4-73.6-175.1159.800112.5V209 A210 K216 S260V209-E213 WeakPolarHBondContact O-CG 3.36Å; V209-E213 PolarHBondContact O-N 3.19Å; A210-E213 PolarHBondContact O-N 3.42Å; E213-K216 PolarHBondContact O-N 3.16Å; E213-S260 VanDerWaalsContact OE2-CB 3.31Å; E213-S260 WeakPolarHBondContact OE2-CB 3.39Å; E213-S260 PolarHBondContact OE2-OG 2.83Å
214G79.9Confident77.7Confident0 Ų069.1 Ų69.10%036%0.355CS..Hα-helixtrans-59.5-47.316700000112.2A210 L211 N212 K216 C217A210-G214 PolarHBondContact O-N 2.99Å; L211-G214 PolarHBondContact O-N 3.27Å; N212-G214 VanDerWaalsContact C-N 3.31Å; G214-K216 VanDerWaalsContact C-N 3.25Å; G214-K216 PolarHBondContact O-N 3.38Å; G214-C217 WeakPolarHBondContact O-CB 3.42Å; G214-C217 PolarHBondContact O-N 3.44Å; G214-C217 VanDerWaalsContact O-N 3.13Å
215L80.9Confident77.8Confident65 Ų6569.9 Ų69.934%0.3435%0.354SS..Hα-helixtrans-63.7-27.2178.1-69.5170.7000113.4L211 N212 C217 Y218 I226L211-L215 WeakPolarHBondContact O-CG 3.03Å; L211-L215 PolarHBondContact O-N 3.26Å; N212-L215 PolarHBondContact O-N 3.36Å; L215-C217 PolarHBondContact O-N 3.45Å; L215-Y218 WeakPolarHBondContact O-CB 3.45Å; L215-Y218 PolarHBondContact O-N 2.9Å; L215-I226 HydrophobicContact CD2-CD1 4.15Å; L215-I226 HydrophobicContact CD2-CG1 4.06Å; L215-I226 HydrophobicContact CG-CD1 4.14Å
216K75.3Confident77.9Confident137 Ų13767.6 Ų67.660%0.59634%0.341SS*.THydrogen-bonded Turntrans-67.2-13.7175.7-72.3173.4-168.5169.40113.7N212 E213 G214 Y218N212-K216 WeakPolarHBondContact O-CG 3.38Å; N212-K216 PolarHBondContact O-N 3.39Å; E213-K216 PolarHBondContact O-N 3.16Å; G214-K216 VanDerWaalsContact C-N 3.25Å; G214-K216 PolarHBondContact O-N 3.38Å; K216-Y218 PolarHBondContact O-N 3.33Å; K216-Y218 VanDerWaalsContact O-N 3.12Å
217C67.1Low78Confident19 Ų1971.6 Ų71.613%0.12836%0.361CS..THydrogen-bonded Turntrans-72.610.6171.1-57.70000113.4G214 L215 T219 R256G214-C217 WeakPolarHBondContact O-CB 3.42Å; G214-C217 PolarHBondContact O-N 3.44Å; G214-C217 VanDerWaalsContact O-N 3.13Å; L215-C217 PolarHBondContact O-N 3.45Å; C217-T219 PolarHBondContact O-N 3.48Å; C217-R256 WeakPolarHBondContact SG-CD 3.19Å; C217-R256 PolarHBondContact SG-NE 3.28Å; C217-R256 VanDerWaalsContact SG-NE 3.41Å; C217-R256 PolarHBondContact SG-NH1 3.39Å
218Y67.9Low78Confident162 Ų16275.5 Ų75.564%0.63538%0.38SS*.  trans-55.5129.3179.980.8-83.9000111.4L215 K216 V220L215-Y218 WeakPolarHBondContact O-CB 3.45Å; L215-Y218 PolarHBondContact O-N 2.9Å; K216-Y218 PolarHBondContact O-N 3.33Å; K216-Y218 VanDerWaalsContact O-N 3.12Å; Y218-V220 HydrophobicContact CE2-CG2 4.44Å
219T68Low77.9Confident68 Ų6871.5 Ų71.542%0.41736%0.364SS..BIsolated β-bridgetrans-105.1141.4156.6-7.20000106.1C217 E221 M222C217-T219 PolarHBondContact O-N 3.48Å; T219-E221 PolarHBondContact O-N 3.43Å; T219-M222 CarbonylContact O-C 3.5Å; T219-M222 PolarHBondContact O-N 3.01Å
220V63.3Low77.6Confident138 Ų13869.2 Ų69.284%0.83635%0.354SS*.THydrogen-bonded Turntrans-56.2-27.4-174178.20000112.3Y218Y218-V220 HydrophobicContact CE2-CG2 4.44Å
221E65.1Low77.3Confident152 Ų15274.3 Ų74.371%0.7139%0.387SS*.THydrogen-bonded Turntrans-82.7-13179.1-61.5-176.3158.300114.1T219T219-E221 PolarHBondContact O-N 3.43Å
222M68.7Low77.2Confident14 Ų1475 Ų757%0.06939%0.393CS..BIsolated β-bridgetrans-132.182.7-167.8-84.2-169.9-8700111.1T219 I224 L238 V249T219-M222 CarbonylContact O-C 3.5Å; T219-M222 PolarHBondContact O-N 3.01Å; M222-I224 PolarHBondContact O-N 3.41Å; M222-L238 HydrophobicContact CB-CD1 3.69Å; M222-L238 HydrophobicContact CG-CD1 4.18Å; M222-L238 HydrophobicContact SD-CD2 4.31Å; M222-V249 HydrophobicContact CE-CG2 3.97Å; M222-V249 HydrophobicContact SD-CG2 4.11Å
223P77.6Confident77.3Confident71 Ų7173 Ų7346%0.46138%0.382SS..  trans-72.8116.2179.428.4-31.5000110.4T239P223-T239 WeakPolarHBondContact CD-OG1 3.16Å; P223-T239 VanDerWaalsContact CG-OG1 3.28Å; P223-T239 WeakPolarHBondContact CG-OG1 3.28Å
224I82.7Confident77.5Confident18 Ų1871.6 Ų71.69%0.09237%0.374CS..EExtended strand (participates in β ladder)trans-90.9127.4172.7-58.5170000108.3M222 I226 V236 L238 V249M222-I224 PolarHBondContact O-N 3.41Å; I224-I226 HydrophobicContact CG2-CG1 4.22Å; I224-V236 HydrophobicContact CG2-CG1 3.66Å; I224-L238 HydrophobicContact CG1-CB 4.49Å; I224-L238 HydrophobicContact CG1-CD1 3.64Å; I224-V249 HydrophobicContact CD1-CG1 3.9Å
225K83.4Confident77.9Confident139 Ų13971.8 Ų71.860%0.60438%0.375SS*.EExtended strand (participates in β ladder)trans-114129.8171.1-65.2-177.1-179.6-179.30108.8T237K225-T237 PolarHBondContact N-O 2.88Å; K225-T237 PolarHBondContact O-N 2.89Å
226I84.6Confident78.2Confident31 Ų3168.7 Ų68.716%0.15936%0.359CS..EExtended strand (participates in β ladder)trans-112.4117.7173.2-50.6179.3000107.6L211 L215 I224 V235 V236 I257L211-I226 HydrophobicContact CD2-CD1 4.26Å; L211-I226 HydrophobicContact CD2-CG2 4.05Å; L215-I226 HydrophobicContact CD2-CD1 4.15Å; L215-I226 HydrophobicContact CD2-CG1 4.06Å; L215-I226 HydrophobicContact CG-CD1 4.14Å; I224-I226 HydrophobicContact CG2-CG1 4.22Å; I226-V235 CarbonylContact C-O 3.59Å; I226-V235 VanDerWaalsContact CA-O 3.28Å; I226-V235 WeakPolarHBondContact CA-O 3.5Å; I226-V236 HydrophobicContact CD1-CG2 4.4Å; I226-V236 HydrophobicContact CG1-CG1 4.34Å; I226-V236 HydrophobicContact CG1-CG2 4.15Å; I226-V236 HydrophobicContact CG2-CG2 4.3Å; I226-I257 HydrophobicContact CD1-CD1 4.25Å
227N85.9Confident78.7Confident96 Ų9663.8 Ų63.851%0.51334%0.34SS..EExtended strand (participates in β ladder)trans-114.1145.2179.1-68-15.5000109.8Y234 V235N227-Y234 WeakPolarHBondContact O-CA 3.44Å; N227-V235 PolarHBondContact N-O 3.35Å; N227-V235 PolarHBondContact O-N 3.3Å
228L84.2Confident79.6Confident94 Ų9462.9 Ų62.949%0.49233%0.334SS..EExtended strand (participates in β ladder)trans-81.9136.1166.8-178.390.1000108.2Y234L228-Y234 HydrophobicContact CB-CD1 4.27Å; L228-Y234 HydrophobicContact CB-CE1 4.32Å; L228-Y234 HydrophobicContact CD1-CD1 3.74Å; L228-Y234 HydrophobicContact CD1-CE1 3.26Å; L228-Y234 HydrophobicContact CD1-CE2 4.23Å; L228-Y234 HydrophobicContact CD1-CG 4.39Å; L228-Y234 HydrophobicContact CG-CE1 4.4Å
229I82.8Confident80.4Confident32 Ų3257.4 Ų57.416%0.16432%0.318CS..EExtended strand (participates in β ladder)trans-95.2-65.5163.1-54.7170.5000108L233 V235 L289I229-L233 PolarHBondContact N-O 2.92Å; I229-V235 HydrophobicContact CD1-CG2 3.15Å; I229-V235 HydrophobicContact CG1-CG2 3.45Å; I229-V235 VanDerWaalsContact CG1-CG2 3.45Å; I229-L289 HydrophobicContact CB-CD1 4.25Å; I229-L289 HydrophobicContact CD1-CD1 3.66Å; I229-L289 HydrophobicContact CG1-CD1 3.6Å; I229-L289 HydrophobicContact CG2-CD1 3.69Å; I229-L289 HydrophobicContact CG2-CG 4.19Å
230A78.1Confident81.1Confident31 Ų3154.4 Ų54.426%0.25630%0.3SS..EExtended strand (participates in β ladder)trans-146.6138.5-177.300000107.5P232 L233A230-P232 CarbonylContact O-C 3.54Å; A230-L233 CarbonylContact O-C 3.56Å; A230-L233 VanDerWaalsContact O-CA 3.25Å; A230-L233 WeakPolarHBondContact O-CA 3.44Å; A230-L233 WeakPolarHBondContact O-CB 3.37Å; A230-L233 PolarHBondContact O-N 3.26Å
231P78.2Confident81.8Confident108 Ų10854 Ų5470%0.70129%0.287SS*.THydrogen-bonded Turntrans-58.8129.2170.7-19.731.9000109.8
232P82.1Confident82.4Confident42 Ų4251.6 Ų51.627%0.27328%0.275SS..THydrogen-bonded Turncis-99.517.45.135.6-31.5000116.7E195 V196 N197 A230 Y234E195-P232 WeakPolarHBondContact CA-O 3.42Å; E195-P232 HydrophobicContact CG-CB 4.08Å; E195-P232 HydrophobicContact CG-CG 3.71Å; V196-P232 PolarHBondContact N-O 2.83Å; V196-P232 WeakPolarHBondContact O-CB 3.32Å; N197-P232 WeakPolarHBondContact OD1-CB 3.45Å; N197-P232 VanDerWaalsContact OD1-CG 3.23Å; N197-P232 WeakPolarHBondContact OD1-CG 3.41Å; A230-P232 CarbonylContact O-C 3.54Å; P232-Y234 WeakPolarHBondContact O-CD2 3.44Å
233L87Confident82.8Confident49 Ų4958.8 Ų58.826%0.25730%0.302SS..EExtended strand (participates in β ladder)trans-86123.2-179.3-57.6174.7000113.7E195 I229 A230 V271E195-L233 HydrophobicContact CB-CD2 4.17Å; E195-L233 HydrophobicContact CG-CD2 4.12Å; I229-L233 PolarHBondContact N-O 2.92Å; A230-L233 CarbonylContact O-C 3.56Å; A230-L233 VanDerWaalsContact O-CA 3.25Å; A230-L233 WeakPolarHBondContact O-CA 3.44Å; A230-L233 WeakPolarHBondContact O-CB 3.37Å; A230-L233 PolarHBondContact O-N 3.26Å; L233-V271 HydrophobicContact CD2-CG2 3.86Å
234Y85.6Confident83.1Confident38 Ų3858.6 Ų58.615%0.14931%0.306CS..EExtended strand (participates in β ladder)trans-120.1152.5172.9-58.1-99000110.4I194 V196 V207 L211 N227 L228 P232I194-Y234 WeakPolarHBondContact CG1-O 3.21Å; I194-Y234 PolarHBondContact N-O 2.74Å; I194-Y234 PolarHBondContact O-N 3.02Å; I194-Y234 VanDerWaalsContact O-O 3.13Å; V196-Y234 HydrophobicContact CB-CD2 4.05Å; V196-Y234 HydrophobicContact CB-CE2 3.93Å; V196-Y234 HydrophobicContact CG2-CD2 3.99Å; V196-Y234 HydrophobicContact CG2-CE2 4.34Å; V207-Y234 HydrophobicContact CG1-CE2 4.33Å; L211-Y234 HydrophobicContact CD1-CD1 3.82Å; L211-Y234 HydrophobicContact CD1-CE1 3.69Å; N227-Y234 WeakPolarHBondContact O-CA 3.44Å; L228-Y234 HydrophobicContact CB-CD1 4.27Å; L228-Y234 HydrophobicContact CB-CE1 4.32Å; L228-Y234 HydrophobicContact CD1-CD1 3.74Å; L228-Y234 HydrophobicContact CD1-CE1 3.26Å; L228-Y234 HydrophobicContact CD1-CE2 4.23Å; L228-Y234 HydrophobicContact CD1-CG 4.39Å; L228-Y234 HydrophobicContact CG-CE1 4.4Å; P232-Y234 WeakPolarHBondContact O-CD2 3.44Å
235V87.4Confident83Confident4 Ų462.5 Ų62.52%0.02432%0.324CS..EExtended strand (participates in β ladder)trans-120.4125.3179.41780000109.3R191 S192 D193 I226 N227 I229R191-V235 HydrophobicContact CG-CG1 3.55Å; R191-V235 VanDerWaalsContact NE-CG1 3.32Å; S192-V235 WeakPolarHBondContact O-CA 3.41Å; D193-V235 WeakPolarHBondContact OD1-CG2 3.46Å; I226-V235 CarbonylContact C-O 3.59Å; I226-V235 VanDerWaalsContact CA-O 3.28Å; I226-V235 WeakPolarHBondContact CA-O 3.5Å; N227-V235 PolarHBondContact N-O 3.35Å; N227-V235 PolarHBondContact O-N 3.3Å; I229-V235 HydrophobicContact CD1-CG2 3.15Å; I229-V235 HydrophobicContact CG1-CG2 3.45Å; I229-V235 VanDerWaalsContact CG1-CG2 3.45Å
236V86.4Confident82.9Confident0 Ų055.9 Ų55.90%030%0.295CS..EExtended strand (participates in β ladder)trans-98.1116.8169.2-174.40000108R191 S192 I194 I224 I226R191-V236 CarbonylContact C-O 3.34Å; R191-V236 WeakPolarHBondContact CA-O 3.46Å; S192-V236 PolarHBondContact N-O 3.38Å; S192-V236 PolarHBondContact O-N 2.98Å; I194-V236 HydrophobicContact CD1-CG2 3.75Å; I194-V236 HydrophobicContact CG1-CG2 4.14Å; I224-V236 HydrophobicContact CG2-CG1 3.66Å; I226-V236 HydrophobicContact CD1-CG2 4.4Å; I226-V236 HydrophobicContact CG1-CG1 4.34Å; I226-V236 HydrophobicContact CG1-CG2 4.15Å; I226-V236 HydrophobicContact CG2-CG2 4.3Å
237T86.3Confident82.9Confident33 Ų3357.1 Ų57.120%0.20230%0.302CS..EExtended strand (participates in β ladder)trans-111.7125.7173.8-550000109.4I190 K225I190-T237 CarbonylContact O-C 3.51Å; I190-T237 WeakPolarHBondContact O-CA 3.43Å; K225-T237 PolarHBondContact N-O 2.88Å; K225-T237 PolarHBondContact O-N 2.89Å
238L86.2Confident82.9Confident0 Ų055.3 Ų55.30%030%0.301CS..EExtended strand (participates in β ladder)trans-117.7132.3173.1170.867.9000109.4K189 I190 M222 I224 G246 V249 V250K189-L238 CarbonylContact C-O 3.46Å; K189-L238 WeakPolarHBondContact CA-O 3.45Å; I190-L238 HydrophobicContact CB-CB 4.43Å; I190-L238 PolarHBondContact N-O 2.86Å; I190-L238 PolarHBondContact O-N 3.46Å; M222-L238 HydrophobicContact CB-CD1 3.69Å; M222-L238 HydrophobicContact CG-CD1 4.18Å; M222-L238 HydrophobicContact SD-CD2 4.31Å; I224-L238 HydrophobicContact CG1-CB 4.49Å; I224-L238 HydrophobicContact CG1-CD1 3.64Å; L238-G246 WeakPolarHBondContact CD2-O 3.18Å; L238-V249 HydrophobicContact CD2-CB 4.38Å; L238-V249 HydrophobicContact CD2-CG1 4.41Å; L238-V250 HydrophobicContact CB-CG2 3.78Å; L238-V250 HydrophobicContact CD2-CG2 3.65Å; L238-V250 HydrophobicContact CG-CG2 4.35Å
239T85.2Confident82.9Confident47 Ų4752.1 Ų52.129%0.28829%0.285SS..EExtended strand (participates in β ladder)trans-98.7124.3166.153.30000109.2K189 P223K189-T239 HydrophobicContact CG-CG2 3.9Å; P223-T239 WeakPolarHBondContact CD-OG1 3.16Å; P223-T239 VanDerWaalsContact CG-OG1 3.28Å; P223-T239 WeakPolarHBondContact CG-OG1 3.28Å
240T82.5Confident83Confident6 Ų650.6 Ų50.64%0.03728%0.277CS..EExtended strand (participates in β ladder)trans-140.4156177.2-174.20000111.3V188 I190 E242V188-T240 PolarHBondContact N-O 3.31Å; V188-T240 PolarHBondContact O-N 3.31Å; I190-T240 HydrophobicContact CD1-CG2 3.61Å; I190-T240 HydrophobicContact CG1-CG2 4.23Å; T240-E242 VanDerWaalsContact CG2-O 3.26Å; T240-E242 WeakPolarHBondContact CG2-O 3.36Å; T240-E242 PolarHBondContact OG1-N 3.13Å; T240-E242 PolarHBondContact OG1-O 3.01Å
241F77.4Confident83.4Confident129 Ų12952.5 Ų52.557%0.56628%0.283SS*.SBendtrans-83.5-26.4169.7-62.7-74.1000112P185 A187P185-F241 HydrophobicContact CG-CB 4.3Å; P185-F241 HydrophobicContact CG-CD1 4.01Å; P185-F241 WeakPolarHBondContact O-CD1 3.35Å; A187-F241 HydrophobicContact CB-CD1 4.4Å; A187-F241 HydrophobicContact CB-CE1 4.09Å
242E78.8Confident83.8Confident102 Ų10249.2 Ų49.248%0.47727%0.265SS..  trans-115.3118.5-173.3-173.6150.3-166.600111.9T240 A244 E245 G246T240-E242 VanDerWaalsContact CG2-O 3.26Å; T240-E242 WeakPolarHBondContact CG2-O 3.36Å; T240-E242 PolarHBondContact OG1-N 3.13Å; T240-E242 PolarHBondContact OG1-O 3.01Å; E242-A244 VanDerWaalsContact C-N 3.35Å; E242-A244 PolarHBondContact O-N 3.32Å; E242-E245 HydrophobicContact CB-CB 4.31Å; E242-E245 HydrophobicContact CB-CG 4.37Å; E242-E245 HydrophobicContact CG-CB 4.3Å; E242-E245 HydrophobicContact CG-CG 4Å; E242-G246 PolarHBondContact O-N 2.8Å
243R76.9Confident83.8Confident164 Ų16447.2 Ų47.262%0.61925%0.252SS*.Hα-helixtrans-62.1-41-175.7-62.6-179.9-179.2-180-1.8112.3L247 V276R243-L247 WeakPolarHBondContact O-CB 3.34Å; R243-L247 VanDerWaalsContact O-CG 3.23Å; R243-L247 WeakPolarHBondContact O-CG 3.49Å; R243-L247 PolarHBondContact O-N 3.46Å; R243-L247 VanDerWaalsContact O-N 3.16Å; R243-V276 HydrophobicContact CG-CG2 4.49Å
244A83.2Confident83.7Confident68 Ų6845.5 Ų45.556%0.56224%0.243SC*.Hα-helixtrans-71.4-48.3-175.100000111.7E242 L247 A248E242-A244 VanDerWaalsContact C-N 3.35Å; E242-A244 PolarHBondContact O-N 3.32Å; A244-L247 PolarHBondContact O-N 3.38Å; A244-A248 PolarHBondContact O-N 3.08Å; A244-A248 VanDerWaalsContact O-N 3.16Å
245E81Confident83.8Confident99 Ų9949.7 Ų49.746%0.46326%0.264SS..Hα-helixtrans-64.6-42.4178.1-62.9-167.3158.600111.5E242 L247 A248 V249E242-E245 HydrophobicContact CB-CB 4.31Å; E242-E245 HydrophobicContact CB-CG 4.37Å; E242-E245 HydrophobicContact CG-CB 4.3Å; E242-E245 HydrophobicContact CG-CG 4Å; E245-L247 PolarHBondContact O-N 2.95Å; E245-A248 WeakPolarHBondContact O-CB 3.49Å; E245-A248 PolarHBondContact O-N 3.49Å; E245-V249 WeakPolarHBondContact O-CG2 3.09Å; E245-V249 PolarHBondContact O-N 2.66Å
246G82.1Confident83.7Confident0 Ų055.6 Ų55.60%029%0.286CS..Hα-helixtrans-64.1-38.9178.200000113.9L238 E242 A248 V249 V250L238-G246 WeakPolarHBondContact CD2-O 3.18Å; E242-G246 PolarHBondContact O-N 2.8Å; G246-A248 VanDerWaalsContact C-N 3.32Å; G246-A248 PolarHBondContact O-N 3.45Å; G246-V249 PolarHBondContact O-N 2.87Å; G246-V250 WeakPolarHBondContact O-CG2 3.39Å; G246-V250 PolarHBondContact O-N 2.92Å
247L83.9Confident83.6Confident58 Ų5855.6 Ų55.630%0.30429%0.286SS..Hα-helixtrans-63.5-40.1174.3-74.1172.1000111.6I190 R243 A244 E245 N251 P274I190-L247 HydrophobicContact CD1-CD2 4.48Å; I190-L247 HydrophobicContact CD1-CG 4.35Å; I190-L247 HydrophobicContact CG2-CD2 4.21Å; R243-L247 WeakPolarHBondContact O-CB 3.34Å; R243-L247 VanDerWaalsContact O-CG 3.23Å; R243-L247 WeakPolarHBondContact O-CG 3.49Å; R243-L247 PolarHBondContact O-N 3.46Å; R243-L247 VanDerWaalsContact O-N 3.16Å; A244-L247 PolarHBondContact O-N 3.38Å; E245-L247 PolarHBondContact O-N 2.95Å; L247-N251 WeakPolarHBondContact O-CB 3.43Å; L247-N251 VanDerWaalsContact O-CG 3.3Å; L247-N251 PolarHBondContact O-N 3.37Å; L247-N251 PolarHBondContact O-ND2 2.88Å; L247-P274 HydrophobicContact CD2-CB 3.85Å; L247-P274 HydrophobicContact CD2-CG 4.1Å
248A85.3Confident83.7Confident58 Ų5858.2 Ų58.248%0.47929%0.294SS..Hα-helixtrans-65-43.717700000111.9A244 E245 G246 N251 A252A244-A248 PolarHBondContact O-N 3.08Å; A244-A248 VanDerWaalsContact O-N 3.16Å; E245-A248 WeakPolarHBondContact O-CB 3.49Å; E245-A248 PolarHBondContact O-N 3.49Å; G246-A248 VanDerWaalsContact C-N 3.32Å; G246-A248 PolarHBondContact O-N 3.45Å; A248-N251 PolarHBondContact O-N 2.88Å; A248-A252 WeakPolarHBondContact O-CB 3.19Å; A248-A252 PolarHBondContact O-N 3Å
249V84.7Confident83.7Confident27 Ų2762.3 Ų62.316%0.16432%0.316CS..Hα-helixtrans-63.9-43.2177.7172.20000111.3M222 I224 L238 E245 G246 A252 T253M222-V249 HydrophobicContact CE-CG2 3.97Å; M222-V249 HydrophobicContact SD-CG2 4.11Å; I224-V249 HydrophobicContact CD1-CG1 3.9Å; L238-V249 HydrophobicContact CD2-CB 4.38Å; L238-V249 HydrophobicContact CD2-CG1 4.41Å; E245-V249 WeakPolarHBondContact O-CG2 3.09Å; E245-V249 PolarHBondContact O-N 2.66Å; G246-V249 PolarHBondContact O-N 2.87Å; V249-A252 PolarHBondContact O-N 3.04Å; V249-T253 WeakPolarHBondContact O-CB 3.4Å; V249-T253 PolarHBondContact O-N 3.47Å; V249-T253 PolarHBondContact O-OG1 2.88Å
250V84.9Confident83.7Confident0 Ų060.7 Ų60.70%031%0.307CS..Hα-helixtrans-64.4-46.2176.8177.20000110.3I190 L238 G246 A252 T253 L254 P274I190-V250 HydrophobicContact CG2-CG2 4.09Å; L238-V250 HydrophobicContact CB-CG2 3.78Å; L238-V250 HydrophobicContact CD2-CG2 3.65Å; L238-V250 HydrophobicContact CG-CG2 4.35Å; G246-V250 WeakPolarHBondContact O-CG2 3.39Å; G246-V250 PolarHBondContact O-N 2.92Å; V250-A252 PolarHBondContact O-N 3.32Å; V250-T253 CarbonylContact O-C 3.55Å; V250-T253 WeakPolarHBondContact O-CA 3.4Å; V250-T253 VanDerWaalsContact O-CB 3.32Å; V250-T253 WeakPolarHBondContact O-CB 3.39Å; V250-T253 PolarHBondContact O-N 2.81Å; V250-L254 HydrophobicContact CG1-CD1 4.36Å; V250-L254 HydrophobicContact CG1-CG 4.22Å; V250-L254 VanDerWaalsContact O-CG 3.32Å; V250-L254 WeakPolarHBondContact O-CG 3.48Å; V250-L254 PolarHBondContact O-N 2.9Å; V250-P274 HydrophobicContact CB-CB 4.23Å; V250-P274 HydrophobicContact CG1-CB 3.79Å; V250-P274 HydrophobicContact CG1-CG 4.32Å
251N86.2Confident83.8Confident70 Ų7060.4 Ų60.437%0.37431%0.305SS..Hα-helixtrans-59.7-43.7177.3-75.2-29000112.6L247 A248 T253 L254 E255 P274L247-N251 WeakPolarHBondContact O-CB 3.43Å; L247-N251 VanDerWaalsContact O-CG 3.3Å; L247-N251 PolarHBondContact O-N 3.37Å; L247-N251 PolarHBondContact O-ND2 2.88Å; A248-N251 PolarHBondContact O-N 2.88Å; N251-T253 VanDerWaalsContact C-N 3.27Å; N251-T253 PolarHBondContact O-N 3.17Å; N251-L254 PolarHBondContact O-N 3.08Å; N251-E255 WeakPolarHBondContact O-CG 3.4Å; N251-E255 PolarHBondContact O-N 3.43Å; N251-P274 WeakPolarHBondContact OD1-CG 3.49Å
252A85.7Confident84.1Confident40 Ų4059.3 Ų59.333%0.33130%0.302SS..Hα-helixtrans-61.6-37.517500000111.9A248 V249 V250 E255 R256A248-A252 WeakPolarHBondContact O-CB 3.19Å; A248-A252 PolarHBondContact O-N 3Å; V249-A252 PolarHBondContact O-N 3.04Å; V250-A252 PolarHBondContact O-N 3.32Å; A252-E255 PolarHBondContact O-N 2.75Å; A252-R256 WeakPolarHBondContact O-CG 3.29Å; A252-R256 PolarHBondContact O-N 2.96Å; A252-R256 VanDerWaalsContact O-N 3.08Å
253T83.6Confident84.4Confident0 Ų061.4 Ų61.40%032%0.316CS..Hα-helixtrans-64.9-44.1174.9-56.20000111.2V249 V250 N251 E255 R256 I257V249-T253 WeakPolarHBondContact O-CB 3.4Å; V249-T253 PolarHBondContact O-N 3.47Å; V249-T253 PolarHBondContact O-OG1 2.88Å; V250-T253 CarbonylContact O-C 3.55Å; V250-T253 WeakPolarHBondContact O-CA 3.4Å; V250-T253 VanDerWaalsContact O-CB 3.32Å; V250-T253 WeakPolarHBondContact O-CB 3.39Å; V250-T253 PolarHBondContact O-N 2.81Å; N251-T253 VanDerWaalsContact C-N 3.27Å; N251-T253 PolarHBondContact O-N 3.17Å; T253-E255 VanDerWaalsContact C-N 3.35Å; T253-E255 PolarHBondContact O-N 3.14Å; T253-R256 PolarHBondContact O-N 3.31Å; T253-I257 HydrophobicContact CG2-CD1 3.87Å; T253-I257 VanDerWaalsContact O-CG1 3.28Å; T253-I257 WeakPolarHBondContact O-CG1 3.19Å; T253-I257 PolarHBondContact O-N 2.87Å
254L85.3Confident84.5Confident12 Ų1256.3 Ų56.36%0.06331%0.306CS..Hα-helixtrans-62.1-41.4176.8-64.7-175.1000111.7I194 V250 N251 I257 K258 F268 V270I194-L254 HydrophobicContact CG2-CD2 3.48Å; I194-L254 VanDerWaalsContact CG2-CD2 3.48Å; V250-L254 HydrophobicContact CG1-CD1 4.36Å; V250-L254 HydrophobicContact CG1-CG 4.22Å; V250-L254 VanDerWaalsContact O-CG 3.32Å; V250-L254 WeakPolarHBondContact O-CG 3.48Å; V250-L254 PolarHBondContact O-N 2.9Å; N251-L254 PolarHBondContact O-N 3.08Å; L254-I257 PolarHBondContact O-N 3.25Å; L254-K258 VanDerWaalsContact O-CB 3.28Å; L254-K258 WeakPolarHBondContact O-CB 3.33Å; L254-K258 PolarHBondContact O-N 3.45Å; L254-F268 HydrophobicContact CB-CZ 4.41Å; L254-F268 HydrophobicContact CD2-CZ 4.18Å; L254-V270 HydrophobicContact CD1-CG2 4.45Å
255E86.1Confident84.2Confident127 Ų12755.9 Ų55.959%0.59331%0.308SS*.Hα-helixtrans-64.2-41.7176.6-75.4178.9-178.800112.3N251 A252 T253 K258 N259N251-E255 WeakPolarHBondContact O-CG 3.4Å; N251-E255 PolarHBondContact O-N 3.43Å; A252-E255 PolarHBondContact O-N 2.75Å; T253-E255 VanDerWaalsContact C-N 3.35Å; T253-E255 PolarHBondContact O-N 3.14Å; E255-K258 PolarHBondContact O-N 2.94Å; E255-N259 PolarHBondContact O-N 2.92Å; E255-N259 PolarHBondContact O-ND2 3.47Å
256R85.3Confident84.2Confident127 Ų12751.7 Ų51.748%0.47929%0.291SS..Hα-helixtrans-64-47175-69.3-162.2-163.2170.6-0.7111.6C217 A252 T253 K258 N259 S260C217-R256 WeakPolarHBondContact SG-CD 3.19Å; C217-R256 PolarHBondContact SG-NE 3.28Å; C217-R256 VanDerWaalsContact SG-NE 3.41Å; C217-R256 PolarHBondContact SG-NH1 3.39Å; A252-R256 WeakPolarHBondContact O-CG 3.29Å; A252-R256 PolarHBondContact O-N 2.96Å; A252-R256 VanDerWaalsContact O-N 3.08Å; T253-R256 PolarHBondContact O-N 3.31Å; R256-K258 VanDerWaalsContact C-N 3.3Å; R256-K258 PolarHBondContact O-N 3.48Å; R256-N259 PolarHBondContact O-N 3.29Å; R256-S260 PolarHBondContact O-N 2.93Å; R256-S260 VanDerWaalsContact O-N 3.1Å; R256-S260 PolarHBondContact O-OG 2.66Å
257I85.7Confident84.2Confident0 Ų055.3 Ų55.30%031%0.314CS..Hα-helixtrans-57.8-45.7177.1-69.9168.1000110.1I194 L211 I226 T253 L254 N259 S260 I261 F268I194-I257 HydrophobicContact CD1-CD1 4.33Å; L211-I257 HydrophobicContact CD2-CD1 4.47Å; I226-I257 HydrophobicContact CD1-CD1 4.25Å; T253-I257 HydrophobicContact CG2-CD1 3.87Å; T253-I257 VanDerWaalsContact O-CG1 3.28Å; T253-I257 WeakPolarHBondContact O-CG1 3.19Å; T253-I257 PolarHBondContact O-N 2.87Å; L254-I257 PolarHBondContact O-N 3.25Å; I257-N259 PolarHBondContact O-N 3.4Å; I257-S260 PolarHBondContact O-N 3.02Å; I257-I261 HydrophobicContact CG2-CD1 3.4Å; I257-I261 HydrophobicContact CG2-CG1 4.39Å; I257-I261 WeakPolarHBondContact O-CB 3.34Å; I257-I261 VanDerWaalsContact O-CD1 3.31Å; I257-I261 WeakPolarHBondContact O-CD1 3.29Å; I257-I261 VanDerWaalsContact O-CG1 3.24Å; I257-I261 WeakPolarHBondContact O-CG1 3.44Å; I257-I261 PolarHBondContact O-N 2.89Å; I257-F268 HydrophobicContact CG2-CD2 4.07Å; I257-F268 HydrophobicContact CG2-CE2 3.79Å
258K87.4Confident84.2Confident88 Ų8854.3 Ų54.338%0.38331%0.307SS..Hα-helixtrans-57.9-49.5177.1-177.7-177.1173.6-173.20112L254 E255 R256 S260 I261 E262 F268L254-K258 VanDerWaalsContact O-CB 3.28Å; L254-K258 WeakPolarHBondContact O-CB 3.33Å; L254-K258 PolarHBondContact O-N 3.45Å; E255-K258 PolarHBondContact O-N 2.94Å; R256-K258 VanDerWaalsContact C-N 3.3Å; R256-K258 PolarHBondContact O-N 3.48Å; K258-S260 VanDerWaalsContact C-N 3.32Å; K258-S260 PolarHBondContact O-N 3.48Å; K258-I261 PolarHBondContact O-N 3.18Å; K258-E262 WeakPolarHBondContact CE-OE1 3.36Å; K258-E262 HydrophobicContact CG-CG 4.41Å; K258-E262 IonicContact NZ-OE1 3.85Å; K258-E262 WeakPolarHBondContact O-CB 3.38Å; K258-E262 WeakPolarHBondContact O-CG 3.38Å; K258-E262 PolarHBondContact O-N 2.81Å; K258-F268 HydrophobicContact CB-CD1 3.8Å; K258-F268 HydrophobicContact CB-CE1 4.14Å; K258-F268 HydrophobicContact CB-CG 4.18Å; K258-F268 HydrophobicContact CD-CD1 4.24Å; K258-F268 HydrophobicContact CG-CB 4.34Å; K258-F268 HydrophobicContact CG-CD1 3.88Å; K258-F268 HydrophobicContact CG-CG 4.33Å
259N86.9Confident84.3Confident86 Ų8658 Ų5846%0.4631%0.312SS..Hα-helixtrans-60.7-40.7-179.4-69.7-22.2000112E255 R256 I257 N263E255-N259 PolarHBondContact O-N 2.92Å; E255-N259 PolarHBondContact O-ND2 3.47Å; R256-N259 PolarHBondContact O-N 3.29Å; I257-N259 PolarHBondContact O-N 3.4Å; N259-N263 WeakPolarHBondContact O-CB 3.46Å; N259-N263 PolarHBondContact O-N 2.89Å; N259-N263 PolarHBondContact O-ND2 2.88Å
260S84Confident84.4Confident13 Ų1359.5 Ų59.59%0.09132%0.321CS..Hα-helixtrans-71.6-33.2-179.5-48.60000112.8E213 R256 I257 K258 S264E213-S260 VanDerWaalsContact OE2-CB 3.31Å; E213-S260 WeakPolarHBondContact OE2-CB 3.39Å; E213-S260 PolarHBondContact OE2-OG 2.83Å; R256-S260 PolarHBondContact O-N 2.93Å; R256-S260 VanDerWaalsContact O-N 3.1Å; R256-S260 PolarHBondContact O-OG 2.66Å; I257-S260 PolarHBondContact O-N 3.02Å; K258-S260 VanDerWaalsContact C-N 3.32Å; K258-S260 PolarHBondContact O-N 3.48Å; S260-S264 PolarHBondContact O-N 3.33Å; S260-S264 PolarHBondContact O-OG 3.31Å
261I84.6Confident84.2Confident1 Ų163.2 Ų63.21%0.00534%0.344CS..Hα-helixtrans-71.8-44.6174.7-68.8160.5000110.6V196 A210 I257 K258 N263 S264 G265 G266 F268V196-I261 HydrophobicContact CB-CD1 4.11Å; V196-I261 HydrophobicContact CG1-CD1 3.38Å; V196-I261 HydrophobicContact CG1-CG1 3.81Å; V196-I261 HydrophobicContact CG1-CG2 4.41Å; V196-I261 HydrophobicContact CG2-CD1 3.68Å; A210-I261 HydrophobicContact CB-CD1 4.38Å; A210-I261 HydrophobicContact CB-CG1 3.73Å; I257-I261 HydrophobicContact CG2-CD1 3.4Å; I257-I261 HydrophobicContact CG2-CG1 4.39Å; I257-I261 WeakPolarHBondContact O-CB 3.34Å; I257-I261 VanDerWaalsContact O-CD1 3.31Å; I257-I261 WeakPolarHBondContact O-CD1 3.29Å; I257-I261 VanDerWaalsContact O-CG1 3.24Å; I257-I261 WeakPolarHBondContact O-CG1 3.44Å; I257-I261 PolarHBondContact O-N 2.89Å; K258-I261 PolarHBondContact O-N 3.18Å; I261-N263 VanDerWaalsContact C-N 3.34Å; I261-N263 PolarHBondContact O-N 3.36Å; I261-S264 CarbonylContact O-C 3.51Å; I261-S264 PolarHBondContact O-N 3.05Å; I261-S264 VanDerWaalsContact O-N 3.08Å; I261-G265 PolarHBondContact O-N 3.35Å; I261-G266 VanDerWaalsContact CG2-C 3.48Å; I261-G266 PolarHBondContact O-N 3.46Å; I261-F268 HydrophobicContact CD1-CB 4.12Å; I261-F268 HydrophobicContact CD1-CD2 3.6Å; I261-F268 HydrophobicContact CD1-CE2 4.46Å; I261-F268 HydrophobicContact CD1-CG 4.25Å; I261-F268 HydrophobicContact CG2-CB 4.25Å
262E85.3Confident84Confident105 Ų10562.3 Ų62.349%0.49134%0.339SS..Hα-helixtrans-63.6-39.1178.2-75.1-177.8168.700111.6K258 S264 G265K258-E262 WeakPolarHBondContact CE-OE1 3.36Å; K258-E262 HydrophobicContact CG-CG 4.41Å; K258-E262 IonicContact NZ-OE1 3.85Å; K258-E262 WeakPolarHBondContact O-CB 3.38Å; K258-E262 WeakPolarHBondContact O-CG 3.38Å; K258-E262 PolarHBondContact O-N 2.81Å; E262-S264 PolarHBondContact O-N 2.82Å; E262-G265 PolarHBondContact O-N 2.64Å; E262-G265 VanDerWaalsContact O-N 3.17Å
263N84.1Confident83.9Confident146 Ų14663.2 Ų63.278%0.78135%0.346SS*.Hα-helixtrans-61.8-28.3173.7-75.1-21.7000113.3N259 I261N259-N263 WeakPolarHBondContact O-CB 3.46Å; N259-N263 PolarHBondContact O-N 2.89Å; N259-N263 PolarHBondContact O-ND2 2.88Å; I261-N263 VanDerWaalsContact C-N 3.34Å; I261-N263 PolarHBondContact O-N 3.36Å
264S78.6Confident83.9Confident57 Ų5764.2 Ų64.240%0.39935%0.353SS..THydrogen-bonded Turntrans-94.85.8-179.4-52.30000113.2A206 S260 I261 E262A206-S264 VanDerWaalsContact CB-CB 3.46Å; S260-S264 PolarHBondContact O-N 3.33Å; S260-S264 PolarHBondContact O-OG 3.31Å; I261-S264 CarbonylContact O-C 3.51Å; I261-S264 PolarHBondContact O-N 3.05Å; I261-S264 VanDerWaalsContact O-N 3.08Å; E262-S264 PolarHBondContact O-N 2.82Å
265G78.1Confident83.8Confident60 Ų6069.6 Ų69.662%0.61938%0.376SS*.THydrogen-bonded Turntrans76.720.6-179.800000114.7I261 E262I261-G265 PolarHBondContact O-N 3.35Å; E262-G265 PolarHBondContact O-N 2.64Å; E262-G265 VanDerWaalsContact O-N 3.17Å
266G80.8Confident83.6Confident10 Ų1065.7 Ų65.710%0.10336%0.36CS..EExtended strand (participates in β ladder)trans-92.2166.417500000114N197 I261N197-G266 CarbonylContact O-C 3.53Å; N197-G266 WeakPolarHBondContact O-CA 3.18Å; I261-G266 VanDerWaalsContact CG2-C 3.48Å; I261-G266 PolarHBondContact O-N 3.46Å
267T82.8Confident83.4Confident77 Ų7760.5 Ų60.547%0.47234%0.343SS..EExtended strand (participates in β ladder)trans-107.7130.1170.762.50000110N197N197-T267 WeakPolarHBondContact CB-OG1 3.17Å; N197-T267 PolarHBondContact N-O 2.97Å; N197-T267 PolarHBondContact O-N 2.99Å
268F83.7Confident83Confident37 Ų3763.9 Ų63.916%0.16236%0.364CS..EExtended strand (participates in β ladder)trans-112.3126176.3175.4-97.6000110I194 E195 V196 L254 I257 K258 I261 V270I194-F268 HydrophobicContact CB-CE2 3.76Å; I194-F268 HydrophobicContact CB-CZ 4.16Å; I194-F268 HydrophobicContact CD1-CE2 4.28Å; I194-F268 HydrophobicContact CG2-CE2 3.61Å; I194-F268 HydrophobicContact CG2-CZ 3.49Å; I194-F268 VanDerWaalsContact CG2-CZ 3.49Å; E195-F268 WeakPolarHBondContact O-CA 3.31Å; V196-F268 HydrophobicContact CG2-CD2 4.12Å; V196-F268 HydrophobicContact CG2-CE2 4.47Å; L254-F268 HydrophobicContact CB-CZ 4.41Å; L254-F268 HydrophobicContact CD2-CZ 4.18Å; I257-F268 HydrophobicContact CG2-CD2 4.07Å; I257-F268 HydrophobicContact CG2-CE2 3.79Å; K258-F268 HydrophobicContact CB-CD1 3.8Å; K258-F268 HydrophobicContact CB-CE1 4.14Å; K258-F268 HydrophobicContact CB-CG 4.18Å; K258-F268 HydrophobicContact CD-CD1 4.24Å; K258-F268 HydrophobicContact CG-CB 4.34Å; K258-F268 HydrophobicContact CG-CD1 3.88Å; K258-F268 HydrophobicContact CG-CG 4.33Å; I261-F268 HydrophobicContact CD1-CB 4.12Å; I261-F268 HydrophobicContact CD1-CD2 3.6Å; I261-F268 HydrophobicContact CD1-CE2 4.46Å; I261-F268 HydrophobicContact CD1-CG 4.25Å; I261-F268 HydrophobicContact CG2-CB 4.25Å; F268-V270 HydrophobicContact CD1-CG2 4.39Å; F268-V270 HydrophobicContact CE1-CG2 3.41Å; F268-V270 VanDerWaalsContact CE1-CG2 3.41Å; F268-V270 HydrophobicContact CZ-CG2 3.75Å
269K86.3Confident82.3Confident135 Ų13565.8 Ų65.859%0.58738%0.378SS*.EExtended strand (participates in β ladder)trans-131.2126.3176.9-177-177.5175.5-166.40110.1E195 V271E195-K269 WeakPolarHBondContact CA-O 3.26Å; E195-K269 HydrophobicContact CB-CB 4.19Å; E195-K269 WeakPolarHBondContact CB-O 3.29Å; E195-K269 PolarHBondContact N-O 3.45Å; E195-K269 PolarHBondContact O-N 3.18Å; K269-V271 PolarHBondContact O-N 3.11Å
270V86.4Confident81.3Confident59 Ų5972.1 Ų72.136%0.35840%0.396SS..EExtended strand (participates in β ladder)trans-82.8113.7173.7-176.10000107.9I194 L254 F268 L272I194-V270 HydrophobicContact CG2-CG2 4.4Å; L254-V270 HydrophobicContact CD1-CG2 4.45Å; F268-V270 HydrophobicContact CD1-CG2 4.39Å; F268-V270 HydrophobicContact CE1-CG2 3.41Å; F268-V270 VanDerWaalsContact CE1-CG2 3.41Å; F268-V270 HydrophobicContact CZ-CG2 3.75Å; V270-L272 WeakPolarHBondContact CG1-O 3.37Å
271V81.8Confident80.7Confident78 Ų7874.9 Ų74.947%0.47341%0.409SS..EExtended strand (participates in β ladder)trans-78-45.2176.1-178.50000109.2D193 E195 L233 K269D193-V271 HydrophobicContact CB-CB 4.38Å; D193-V271 PolarHBondContact O-N 3.24Å; E195-V271 HydrophobicContact CB-CG2 4.03Å; L233-V271 HydrophobicContact CD2-CG2 3.86Å; K269-V271 PolarHBondContact O-N 3.11Å
272L82.6Confident80.1Confident50 Ų5078.3 Ų78.326%0.26243%0.425SS..EExtended strand (participates in β ladder)trans-129.7114.8177.5-161.379000110.1S192 D193 V270 K275S192-L272 WeakPolarHBondContact CA-O 3.31Å; S192-L272 PolarHBondContact OG-O 3.4Å; D193-L272 HydrophobicContact CB-CB 3.8Å; D193-L272 PolarHBondContact N-O 2.82Å; D193-L272 VanDerWaalsContact N-O 3.08Å; D193-L272 PolarHBondContact O-N 2.92Å; D193-L272 VanDerWaalsContact O-N 3.09Å; V270-L272 WeakPolarHBondContact CG1-O 3.37Å; L272-K275 HydrophobicContact CD1-CD 4.26Å; L272-K275 HydrophobicContact CD2-CD 4.31Å; L272-K275 HydrophobicContact CG-CD 4.31Å
273A83.3Confident79.5Confident59 Ų5976.9 Ų76.949%0.48843%0.427SS..EExtended strand (participates in β ladder)trans-55.6154.3170.300000110.6K275A273-K275 PolarHBondContact O-N 3.44Å
274P83.9Confident79.2Confident22 Ų2275.7 Ų75.714%0.14342%0.416CS..EExtended strand (participates in β ladder)trans-56.9115.2-177.523.2-34.4000111I190 R191 L247 V250 N251I190-P274 HydrophobicContact CG2-CB 3.91Å; R191-P274 WeakPolarHBondContact O-CA 3.41Å; L247-P274 HydrophobicContact CD2-CB 3.85Å; L247-P274 HydrophobicContact CD2-CG 4.1Å; V250-P274 HydrophobicContact CB-CB 4.23Å; V250-P274 HydrophobicContact CG1-CB 3.79Å; V250-P274 HydrophobicContact CG1-CG 4.32Å; N251-P274 WeakPolarHBondContact OD1-CG 3.49Å
275K82.9Confident78.9Confident124 Ų12474.9 Ų74.954%0.53941%0.407SS..EExtended strand (participates in β ladder)trans-115.5140.2176.4-73.9-175.6-177.7-176.30109.5I190 R191 L272 A273 V277I190-K275 WeakPolarHBondContact CA-O 3.36Å; R191-K275 PolarHBondContact N-O 3.19Å; R191-K275 PolarHBondContact O-N 2.88Å; L272-K275 HydrophobicContact CD1-CD 4.26Å; L272-K275 HydrophobicContact CD2-CD 4.31Å; L272-K275 HydrophobicContact CG-CD 4.31Å; A273-K275 PolarHBondContact O-N 3.44Å; K275-V277 PolarHBondContact O-N 3.4Å
276V82.3Confident78.8Confident45 Ų4579 Ų7927%0.27341%0.408SS..EExtended strand (participates in β ladder)trans-69.1119167.4163.80000107.3V188 I190 R243V188-V276 HydrophobicContact CG1-CB 4.14Å; V188-V276 HydrophobicContact CG1-CG1 3.26Å; V188-V276 HydrophobicContact CG1-CG2 4.05Å; I190-V276 HydrophobicContact CG1-CG2 4.11Å; R243-V276 HydrophobicContact CG-CG2 4.49Å
277V80.4Confident78.7Confident19 Ų1987.3 Ų87.312%0.11544%0.437CS..EExtended strand (participates in β ladder)trans-84.3121.5179.2-171.70000108K189 R191 K275 D281 E282 I285K189-V277 PolarHBondContact O-N 3.2Å; R191-V277 HydrophobicContact CB-CG2 3.42Å; R191-V277 VanDerWaalsContact CB-CG2 3.42Å; K275-V277 PolarHBondContact O-N 3.4Å; V277-D281 HydrophobicContact CG1-CB 3.84Å; V277-E282 HydrophobicContact CG1-CB 4.37Å; V277-E282 HydrophobicContact CG1-CG 3.43Å; V277-E282 VanDerWaalsContact CG1-CG 3.43Å; V277-I285 HydrophobicContact CG1-CD1 4Å; V277-I285 HydrophobicContact CG2-CD1 4.41Å
278T76Confident78.3Confident71 Ų7192.1 Ų92.144%0.43645%0.446SS..PPolyproline II helixtrans-89.3164.2166.766.90000110.2W280 D281 E282T278-W280 PolarHBondContact O-N 2.92Å; T278-W280 VanDerWaalsContact O-N 3.16Å; T278-D281 WeakPolarHBondContact CB-OD2 3.12Å; T278-D281 PolarHBondContact N-OD2 2.8Å; T278-D281 VanDerWaalsContact N-OD2 3.11Å; T278-D281 WeakPolarHBondContact O-CA 3.3Å; T278-D281 WeakPolarHBondContact O-CB 3.41Å; T278-D281 PolarHBondContact O-N 2.89Å; T278-D281 PolarHBondContact OG1-N 3.34Å; T278-D281 PolarHBondContact OG1-OD2 2.86Å; T278-E282 PolarHBondContact O-N 2.81Å
279D73.2Confident77.7Confident127 Ų12792.4 Ų92.468%0.67945%0.449SS*.Hα-helixtrans-57.2-32.6179.6-62.6-23.4000112.8E282 S283D279-E282 PolarHBondContact O-N 3.45Å; D279-S283 PolarHBondContact O-N 2.87Å
280W66.8Low77.3Confident220 Ų22091.2 Ų91.283%0.83345%0.446SS*.Hα-helixtrans-69-39.8174.9-75.366.1000112T278 E282 S283 E284T278-W280 PolarHBondContact O-N 2.92Å; T278-W280 VanDerWaalsContact O-N 3.16Å; W280-E282 VanDerWaalsContact C-N 3.3Å; W280-E282 PolarHBondContact O-N 3.38Å; W280-S283 PolarHBondContact O-N 3.27Å; W280-S283 PolarHBondContact O-OG 3.37Å; W280-E284 PolarHBondContact O-N 3.03Å
281D71.2Confident76.9Confident70 Ų7093 Ų9337%0.37445%0.453SS..Hα-helixtrans-65.7-35.8174-62.1-55.9000110.7V277 T278 S283 E284 I285V277-D281 HydrophobicContact CG1-CB 3.84Å; T278-D281 WeakPolarHBondContact CB-OD2 3.12Å; T278-D281 PolarHBondContact N-OD2 2.8Å; T278-D281 VanDerWaalsContact N-OD2 3.11Å; T278-D281 WeakPolarHBondContact O-CA 3.3Å; T278-D281 WeakPolarHBondContact O-CB 3.41Å; T278-D281 PolarHBondContact O-N 2.89Å; T278-D281 PolarHBondContact OG1-N 3.34Å; T278-D281 PolarHBondContact OG1-OD2 2.86Å; D281-S283 VanDerWaalsContact C-N 3.32Å; D281-S283 PolarHBondContact O-N 2.86Å; D281-E284 PolarHBondContact O-N 2.88Å; D281-I285 HydrophobicContact CB-CD1 4.06Å; D281-I285 WeakPolarHBondContact O-CB 3.01Å; D281-I285 VanDerWaalsContact O-CD1 3.24Å; D281-I285 WeakPolarHBondContact O-CD1 3.38Å; D281-I285 WeakPolarHBondContact O-CG1 3.41Å; D281-I285 PolarHBondContact O-N 2.78Å
282E71.8Confident76.3Confident73 Ų7392 Ų9234%0.34144%0.444SS..Hα-helixtrans-58.5-43.3176.6-70.5-160.3162.800112K189 V277 T278 D279 W280 K286K189-E282 VanDerWaalsContact CD-OE1 3.31Å; K189-E282 WeakPolarHBondContact CD-OE1 3.37Å; K189-E282 WeakPolarHBondContact CE-OE1 3.44Å; K189-E282 IonicContact NZ-OE1 3.52Å; K189-E282 PolarHBondContact NZ-OE1 2.84Å; K189-E282 IonicContact NZ-OE2 2.96Å; V277-E282 HydrophobicContact CG1-CB 4.37Å; V277-E282 HydrophobicContact CG1-CG 3.43Å; V277-E282 VanDerWaalsContact CG1-CG 3.43Å; T278-E282 PolarHBondContact O-N 2.81Å; D279-E282 PolarHBondContact O-N 3.45Å; W280-E282 VanDerWaalsContact C-N 3.3Å; W280-E282 PolarHBondContact O-N 3.38Å; E282-K286 VanDerWaalsContact O-CB 3.29Å; E282-K286 WeakPolarHBondContact O-CB 3.45Å; E282-K286 PolarHBondContact O-N 3.34Å
283S73.2Confident75.7Confident75 Ų7594.7 Ų94.752%0.52446%0.455SS..Hα-helixtrans-64.7-46.2177.641.40000112.9D279 W280 D281 I285 K286 R287D279-S283 PolarHBondContact O-N 2.87Å; W280-S283 PolarHBondContact O-N 3.27Å; W280-S283 PolarHBondContact O-OG 3.37Å; D281-S283 VanDerWaalsContact C-N 3.32Å; D281-S283 PolarHBondContact O-N 2.86Å; S283-I285 VanDerWaalsContact C-N 3.34Å; S283-I285 PolarHBondContact O-N 3.15Å; S283-K286 PolarHBondContact O-N 2.86Å; S283-R287 PolarHBondContact O-N 3.36Å
284E77.5Confident75Confident121 Ų12197.4 Ų97.457%0.56546%0.461SS*.Hα-helixtrans-67.5-39.7-179.1-175.660.2-166.900111.2W280 D281 R287 R288W280-E284 PolarHBondContact O-N 3.03Å; D281-E284 PolarHBondContact O-N 2.88Å; E284-R287 PolarHBondContact O-N 3.14Å; E284-R288 WeakPolarHBondContact O-CB 3.42Å; E284-R288 PolarHBondContact O-N 3.47Å
285I71Confident74.2Confident41 Ų41101.6 Ų101.621%0.2148%0.479CS..Hα-helixtrans-65.4-40.2176-69.3165.5000110.8V277 D281 S283 R288 L289V277-I285 HydrophobicContact CG1-CD1 4Å; V277-I285 HydrophobicContact CG2-CD1 4.41Å; D281-I285 HydrophobicContact CB-CD1 4.06Å; D281-I285 WeakPolarHBondContact O-CB 3.01Å; D281-I285 VanDerWaalsContact O-CD1 3.24Å; D281-I285 WeakPolarHBondContact O-CD1 3.38Å; D281-I285 WeakPolarHBondContact O-CG1 3.41Å; D281-I285 PolarHBondContact O-N 2.78Å; S283-I285 VanDerWaalsContact C-N 3.34Å; S283-I285 PolarHBondContact O-N 3.15Å; I285-R288 PolarHBondContact O-N 2.7Å; I285-L289 WeakPolarHBondContact O-CB 3.47Å; I285-L289 PolarHBondContact O-N 2.94Å
286K76.1Confident73.3Confident146 Ų14698.8 Ų98.864%0.63549%0.485SS*.Hα-helixtrans-62.9-45.2176.9-172.4-175.5177.7-167.30111E282 S283 R288 L289 E290E282-K286 VanDerWaalsContact O-CB 3.29Å; E282-K286 WeakPolarHBondContact O-CB 3.45Å; E282-K286 PolarHBondContact O-N 3.34Å; S283-K286 PolarHBondContact O-N 2.86Å; K286-R288 VanDerWaalsContact C-N 3.28Å; K286-R288 PolarHBondContact O-N 2.96Å; K286-L289 WeakPolarHBondContact O-CB 3.48Å; K286-L289 PolarHBondContact O-N 3.34Å; K286-L289 VanDerWaalsContact O-N 3.15Å; K286-E290 WeakPolarHBondContact O-CB 3.4Å; K286-E290 PolarHBondContact O-N 2.82Å
287R79.9Confident72.4Confident185 Ų185100.2 Ų100.270%0.69850%0.502SS*.Hα-helixtrans-59.3-41.5176.1-169.8-179.3-174.1175.64.8111.6S283 E284 L291S283-R287 PolarHBondContact O-N 3.36Å; E284-R287 PolarHBondContact O-N 3.14Å; R287-L291 PolarHBondContact O-N 3.07Å; R287-L291 VanDerWaalsContact O-N 3.07Å
288R73.8Confident71.4Confident178 Ų178106.2 Ų106.267%0.67253%0.528SS*.Hα-helixtrans-68.6-35.7176.4-168.1174.7-175.9171.12.1112.8E284 I285 K286 L292E284-R288 WeakPolarHBondContact O-CB 3.42Å; E284-R288 PolarHBondContact O-N 3.47Å; I285-R288 PolarHBondContact O-N 2.7Å; K286-R288 VanDerWaalsContact C-N 3.28Å; K286-R288 PolarHBondContact O-N 2.96Å; R288-L292 HydrophobicContact CG-CD1 4.44Å; R288-L292 VanDerWaalsContact O-CG 3.3Å; R288-L292 WeakPolarHBondContact O-CG 3.41Å; R288-L292 PolarHBondContact O-N 2.81Å; R288-L292 VanDerWaalsContact O-N 3.11Å
289L72.4Confident70.4Confident43 Ų43108.7 Ų108.723%0.22554%0.538CS..Hα-helixtrans-65.8-46176.3-168.8106.2000110.9I229 I285 K286 L291 L292 E293I229-L289 HydrophobicContact CB-CD1 4.25Å; I229-L289 HydrophobicContact CD1-CD1 3.66Å; I229-L289 HydrophobicContact CG1-CD1 3.6Å; I229-L289 HydrophobicContact CG2-CD1 3.69Å; I229-L289 HydrophobicContact CG2-CG 4.19Å; I285-L289 WeakPolarHBondContact O-CB 3.47Å; I285-L289 PolarHBondContact O-N 2.94Å; K286-L289 WeakPolarHBondContact O-CB 3.48Å; K286-L289 PolarHBondContact O-N 3.34Å; K286-L289 VanDerWaalsContact O-N 3.15Å; L289-L291 VanDerWaalsContact C-N 3.34Å; L289-L291 PolarHBondContact O-N 3.49Å; L289-L292 PolarHBondContact O-N 2.93Å; L289-E293 WeakPolarHBondContact O-CG 3.32Å; L289-E293 PolarHBondContact O-N 2.79Å
290E76.8Confident69.2Low110 Ų110108.9 Ų108.951%0.51455%0.546SS..Hα-helixtrans-63.8-39.4178.7-174.1168.3-159.500111.7K286 E293 L294K286-E290 WeakPolarHBondContact O-CB 3.4Å; K286-E290 PolarHBondContact O-N 2.82Å; E290-E293 PolarHBondContact O-N 3.29Å; E290-L294 HydrophobicContact CG-CD1 4.31Å; E290-L294 WeakPolarHBondContact O-CB 3.48Å; E290-L294 WeakPolarHBondContact O-CG 3.4Å; E290-L294 PolarHBondContact O-N 3.02Å
291L77.7Confident68.4Low97 Ų97101.5 Ų101.551%0.50854%0.538SS..Hα-helixtrans-61-45.1172.4-164.990.7000111.8R287 L289 E293 L294 E295R287-L291 PolarHBondContact O-N 3.07Å; R287-L291 VanDerWaalsContact O-N 3.07Å; L289-L291 VanDerWaalsContact C-N 3.34Å; L289-L291 PolarHBondContact O-N 3.49Å; L291-E293 VanDerWaalsContact C-N 3.34Å; L291-L294 PolarHBondContact O-N 2.85Å; L291-E295 WeakPolarHBondContact O-CB 3.5Å; L291-E295 WeakPolarHBondContact O-CG 3.24Å; L291-E295 PolarHBondContact O-N 3.35Å
292L69.6Low67.3Low56 Ų56105.5 Ų105.529%0.29356%0.559SS.*Hα-helixtrans-68-34178-73.3168.5000112.4R288 L289 G296R288-L292 HydrophobicContact CG-CD1 4.44Å; R288-L292 VanDerWaalsContact O-CG 3.3Å; R288-L292 WeakPolarHBondContact O-CG 3.41Å; R288-L292 PolarHBondContact O-N 2.81Å; R288-L292 VanDerWaalsContact O-N 3.11Å; L289-L292 PolarHBondContact O-N 2.93Å; L292-G296 PolarHBondContact O-N 3.49Å
293E69Low65.9Low106 Ų106110.3 Ų110.350%0.49558%0.582SS.*Hα-helixtrans-66.5-41.2172.3-78179.9176.200110.9L289 E290 L291 G296 A297L289-E293 WeakPolarHBondContact O-CG 3.32Å; L289-E293 PolarHBondContact O-N 2.79Å; E290-E293 PolarHBondContact O-N 3.29Å; L291-E293 VanDerWaalsContact C-N 3.34Å; E293-G296 CarbonylContact O-C 3.59Å; E293-G296 PolarHBondContact O-N 3.23Å; E293-A297 WeakPolarHBondContact O-CB 3.39Å; E293-A297 PolarHBondContact O-N 3.49Å
294L70.1Confident64.3Low116 Ų116115.7 Ų115.761%0.60760%0.599SS**Hα-helixtrans-65.2-45.6175.6-78162.1000112.3E290 L291 G296 A297E290-L294 HydrophobicContact CG-CD1 4.31Å; E290-L294 WeakPolarHBondContact O-CB 3.48Å; E290-L294 WeakPolarHBondContact O-CG 3.4Å; E290-L294 PolarHBondContact O-N 3.02Å; L291-L294 PolarHBondContact O-N 2.85Å; L294-G296 VanDerWaalsContact C-N 3.29Å; L294-G296 PolarHBondContact O-N 2.87Å; L294-A297 PolarHBondContact O-N 3.33Å
295E66.9Low62.7Low110 Ų110116.4 Ų116.451%0.51461%0.606SS.*Hα-helixtrans-64.9-34.4175.4-73176178.500111.6L291L291-E295 WeakPolarHBondContact O-CB 3.5Å; L291-E295 WeakPolarHBondContact O-CG 3.24Å; L291-E295 PolarHBondContact O-N 3.35Å
296G63.3Low61.1Low65 Ų65121.9 Ų121.967%0.6764%0.636SS**Hα-helixtrans-77.6-21.7174.200000114L292 E293 L294 E298L292-G296 PolarHBondContact O-N 3.49Å; E293-G296 CarbonylContact O-C 3.59Å; E293-G296 PolarHBondContact O-N 3.23Å; L294-G296 VanDerWaalsContact C-N 3.29Å; L294-G296 PolarHBondContact O-N 2.87Å; G296-E298 PolarHBondContact O-N 3.22Å
297A63.1Low59.3Low76 Ų76122.7 Ų122.763%0.62865%0.647SS**THydrogen-bonded Turntrans-88.323.6179.200000112.9E293 L294 I299E293-A297 WeakPolarHBondContact O-CB 3.39Å; E293-A297 PolarHBondContact O-N 3.49Å; L294-A297 PolarHBondContact O-N 3.33Å; A297-I299 PolarHBondContact O-N 2.92Å; A297-I299 VanDerWaalsContact O-N 3.11Å
298E59.8Low57.4Low144 Ų144123.3 Ų123.367%0.67366%0.658SS**  trans-70.6111.8-179.1-81.3-169.9172.400113.2G296G296-E298 PolarHBondContact O-N 3.22Å
299I55.9Low55.9Low124 Ų124118.2 Ų118.264%0.63666%0.661SS**  trans75.8103.7144.6-46.3154.5000114.4A297 G301A297-I299 PolarHBondContact O-N 2.92Å; A297-I299 VanDerWaalsContact O-N 3.11Å; I299-G301 PolarHBondContact O-N 3.49Å
300P47.5Very low54.4Low131 Ų131124.8 Ų124.885%0.85170%0.695SS**  trans-58.6109.9162.123.5-24.8000106.7D302P300-D302 PolarHBondContact O-N 3Å
301G50.9Low52.9Low64 Ų64127 Ų12766%0.6671%0.709SS**  trans-55.9132.2-175.300000111I299 E303I299-G301 PolarHBondContact O-N 3.49Å; G301-E303 PolarHBondContact O-N 2.96Å; G301-E303 VanDerWaalsContact O-N 3.13Å
302D47.5Very low51.8Low155 Ų155126.3 Ų126.383%0.82972%0.717SS**  trans-7.596.1169.2-68.6-30.7000114.6P300 E304P300-D302 PolarHBondContact O-N 3Å; D302-E304 VanDerWaalsContact C-N 3.3Å; D302-E304 PolarHBondContact O-N 3.43Å
303E42.7Very low51Low173 Ų173128.7 Ų128.781%0.80874%0.736SS**  trans-71.498.1146-78.9-176.8165.200106G301 D305G301-E303 PolarHBondContact O-N 2.96Å; G301-E303 VanDerWaalsContact O-N 3.13Å; E303-D305 PolarHBondContact O-N 3.39Å
304E39.1Very low50.3Low189 Ų189127.2 Ų127.288%0.88374%0.743SS**  trans-58.484.4151.5-72.7-177.3160.400107.4D302D302-E304 VanDerWaalsContact C-N 3.3Å; D302-E304 PolarHBondContact O-N 3.43Å
305D44.2Very low49.5Very low135 Ų135127 Ų12772%0.72274%0.742SS**  trans-121.9122.6163.9-94-24.9000109.1E303E303-D305 PolarHBondContact O-N 3.39Å
306D37Very low48.9Very low157 Ų157127.7 Ų127.784%0.8475%0.748SS**  trans-53142.4-176.8-67.5-55000113.8
307D38.7Very low48.4Very low162 Ų162130.5 Ų130.587%0.86675%0.748SS**  trans4591.1146-110.2-10.9000118.1
308E39.3Very low48.2Very low198 Ų198132.4 Ų132.493%0.92574%0.744SS**  -176.5107129.7-103177.4-169.500111.9
309G41.7Very low48Very low71 Ų71131.6 Ų131.673%0.73274%0.74SS**  trans63.689.9148.600000119I311G309-I311 PolarHBondContact O-N 2.85Å
310L41.2Very low48Very low181 Ų181129.7 Ų129.795%0.94873%0.731SS**  trans-54.7106.7157.8-8681.3000110.7
311I45Very low48.6Very low156 Ų156127.5 Ų127.580%0.871%0.712SS**  trans-124.5103.8154.7-66.7168.9000106.3G309G309-I311 PolarHBondContact O-N 2.85Å
312A54.8Low49.1Very low83 Ų83130.3 Ų130.369%0.68671%0.706SS**  trans-58.1131.1169.100000108.9A314A312-A314 PolarHBondContact O-N 3.27Å
313P53Low49.6Very low106 Ų106129.3 Ų129.369%0.68870%0.697SS**  trans-62.8112.7168-8.621.9000107.5D315P313-D315 PolarHBondContact O-N 2.93Å
314A55.4Low50.3Low76 Ų76127 Ų12763%0.62868%0.684SS**THydrogen-bonded Turntrans-65.52.4-179.900000113.9A312A312-A314 PolarHBondContact O-N 3.27Å
315D53.2Low51Low111 Ų111126.9 Ų126.959%0.59468%0.675SS**THydrogen-bonded Turntrans-95.2-8.3-168.7-65.8-25.9000114.4P313P313-D315 PolarHBondContact O-N 2.93Å
316L53.1Low51.6Low124 Ų124126.4 Ų126.465%0.64967%0.669SS**THydrogen-bonded Turntrans-91.3-35.9177.7-128.587.4000113.1E318 Q319 L320L316-E318 VanDerWaalsContact C-N 3.31Å; L316-Q319 PolarHBondContact O-N 3.36Å; L316-L320 PolarHBondContact O-N 3.49Å
317D53.7Low52.3Low124 Ų124121.4 Ų121.466%0.66365%0.646SS**Hα-helixtrans-69.4-30.4174.6-94.6-8.1000111.5Q319 D321D317-Q319 VanDerWaalsContact C-N 3.32Å; D317-Q319 PolarHBondContact O-N 3.27Å; D317-D321 VanDerWaalsContact O-CB 3.29Å; D317-D321 WeakPolarHBondContact O-CB 3.3Å; D317-D321 PolarHBondContact O-N 3.23Å
318E58.1Low53Low116 Ų116118.1 Ų118.154%0.54263%0.632SS.*Hα-helixtrans-69.4-26.7175.8-99.5-163172.600113.8L316 K322L316-E318 VanDerWaalsContact C-N 3.31Å; E318-K322 VanDerWaalsContact O-CB 3.3Å; E318-K322 WeakPolarHBondContact O-CB 3.33Å; E318-K322 WeakPolarHBondContact O-CG 3.37Å; E318-K322 PolarHBondContact O-N 3.41Å; E318-K322 VanDerWaalsContact O-N 3.08Å
319Q55.8Low53.6Low127 Ų127115.8 Ų115.859%0.59362%0.619SS**Hα-helixtrans-80.1-43.5177.9-70.7-179.210.800111.2L316 D317 D321 K322 E323L316-Q319 PolarHBondContact O-N 3.36Å; D317-Q319 VanDerWaalsContact C-N 3.32Å; D317-Q319 PolarHBondContact O-N 3.27Å; Q319-D321 VanDerWaalsContact C-N 3.33Å; Q319-D321 PolarHBondContact O-N 2.73Å; Q319-K322 PolarHBondContact O-N 3.35Å; Q319-E323 PolarHBondContact O-N 3.22Å
320L55.5Low54Low84 Ų84119.1 Ų119.144%0.4462%0.615SS.*Hα-helixtrans-65.1-34.2173.7-92.9145.8000112.7L316 K324L316-L320 PolarHBondContact O-N 3.49Å; L320-K324 WeakPolarHBondContact O-CB 3.25Å; L320-K324 WeakPolarHBondContact O-CG 3.2Å; L320-K324 PolarHBondContact O-N 2.83Å; L320-K324 VanDerWaalsContact O-N 3.11Å
321D59.8Low54.4Low85 Ų85115.9 Ų115.946%0.45560%0.599SS.*Hα-helixtrans-78.1-26173.5-85.9-10.2000113.2D317 Q319 R325D317-D321 VanDerWaalsContact O-CB 3.29Å; D317-D321 WeakPolarHBondContact O-CB 3.3Å; D317-D321 PolarHBondContact O-N 3.23Å; Q319-D321 VanDerWaalsContact C-N 3.33Å; Q319-D321 PolarHBondContact O-N 2.73Å; D321-R325 VanDerWaalsContact O-CB 3.29Å; D321-R325 WeakPolarHBondContact O-CB 3.46Å; D321-R325 WeakPolarHBondContact O-CG 3.26Å; D321-R325 PolarHBondContact O-N 3.44Å; D321-R325 VanDerWaalsContact O-N 3.07Å
322K63Low54.7Low124 Ų124110.7 Ų110.754%0.53958%0.579SS.*Hα-helixtrans-71.2-45.4170.8-90.7172.5179.8158.40111.7E318 Q319 K324 R325 E326E318-K322 VanDerWaalsContact O-CB 3.3Å; E318-K322 WeakPolarHBondContact O-CB 3.33Å; E318-K322 WeakPolarHBondContact O-CG 3.37Å; E318-K322 PolarHBondContact O-N 3.41Å; E318-K322 VanDerWaalsContact O-N 3.08Å; Q319-K322 PolarHBondContact O-N 3.35Å; K322-K324 PolarHBondContact O-N 2.84Å; K322-R325 PolarHBondContact O-N 2.85Å; K322-R325 VanDerWaalsContact O-N 3.15Å; K322-E326 PolarHBondContact O-N 3.42Å
323E57Low54.5Low134 Ų134112.8 Ų112.863%0.62658%0.579SS**Hα-helixtrans-66.1-37.2177.5-73.3-175.3151.500112.3Q319 E326 S327Q319-E323 PolarHBondContact O-N 3.22Å; E323-E326 PolarHBondContact O-N 2.95Å; E323-S327 PolarHBondContact O-N 2.92Å; E323-S327 PolarHBondContact O-OG 3.43Å
324K56.6Low54.4Low125 Ų125114.9 Ų114.954%0.54358%0.58SS.*Hα-helixtrans-66.7-35.7171.7-77.3177.9-177.6171.80112.4L320 K322 S327 T328L320-K324 WeakPolarHBondContact O-CB 3.25Å; L320-K324 WeakPolarHBondContact O-CG 3.2Å; L320-K324 PolarHBondContact O-N 2.83Å; L320-K324 VanDerWaalsContact O-N 3.11Å; K322-K324 PolarHBondContact O-N 2.84Å; K324-S327 WeakPolarHBondContact CA-OG 3.42Å; K324-S327 PolarHBondContact O-OG 3.22Å; K324-S327 VanDerWaalsContact O-OG 3.06Å; K324-T328 WeakPolarHBondContact O-CB 3.4Å; K324-T328 PolarHBondContact O-N 2.98Å; K324-T328 VanDerWaalsContact O-N 3.11Å; K324-T328 PolarHBondContact O-OG1 3.32Å
325R55.7Low54.1Low185 Ų185115.1 Ų115.170%0.69858%0.577SS**Hα-helixtrans-74.3-28176.3-78.6175.6179.7-178.95113.6D321 K322 K329D321-R325 VanDerWaalsContact O-CB 3.29Å; D321-R325 WeakPolarHBondContact O-CB 3.46Å; D321-R325 WeakPolarHBondContact O-CG 3.26Å; D321-R325 PolarHBondContact O-N 3.44Å; D321-R325 VanDerWaalsContact O-N 3.07Å; K322-R325 PolarHBondContact O-N 2.85Å; K322-R325 VanDerWaalsContact O-N 3.15Å; R325-K329 WeakPolarHBondContact O-CB 3.46Å; R325-K329 PolarHBondContact O-N 2.92Å
326E54.9Low53.8Low126 Ų126118.1 Ų118.159%0.58959%0.587SS**Hα-helixtrans-75.9-45.9174.6-76.2179.3163.700111.2K322 E323 T328 K329 E330K322-E326 PolarHBondContact O-N 3.42Å; E323-E326 PolarHBondContact O-N 2.95Å; E326-T328 PolarHBondContact O-N 3.28Å; E326-K329 PolarHBondContact O-N 3.11Å; E326-K329 VanDerWaalsContact O-N 3.09Å; E326-E330 PolarHBondContact O-N 3.27Å
327S53.1Low53.3Low52 Ų52115.4 Ų115.436%0.36459%0.589SS.*Hα-helixtrans-60.6-42.217447.60000113.2E323 K324 K329 E330 D331E323-S327 PolarHBondContact O-N 2.92Å; E323-S327 PolarHBondContact O-OG 3.43Å; K324-S327 WeakPolarHBondContact CA-OG 3.42Å; K324-S327 PolarHBondContact O-OG 3.22Å; K324-S327 VanDerWaalsContact O-OG 3.06Å; S327-K329 PolarHBondContact O-N 3.11Å; S327-E330 PolarHBondContact O-N 3.36Å; S327-D331 PolarHBondContact O-N 3.45Å
328T52.7Low52.5Low93 Ų93117.4 Ų117.457%0.57160%0.595SS**Hα-helixtrans-69.6-20.6177.3-37.30000112.8K324 E326 A332K324-T328 WeakPolarHBondContact O-CB 3.4Å; K324-T328 PolarHBondContact O-N 2.98Å; K324-T328 VanDerWaalsContact O-N 3.11Å; K324-T328 PolarHBondContact O-OG1 3.32Å; E326-T328 PolarHBondContact O-N 3.28Å; T328-A332 WeakPolarHBondContact O-CB 3.46Å; T328-A332 PolarHBondContact O-N 3.48Å
329K52.1Low51.6Low149 Ų149123.2 Ų123.265%0.64863%0.629SS**Hα-helixtrans-83.4-38.7174.6-92.6-178.8172.7-178.70112.1R325 E326 S327 A332 D333R325-K329 WeakPolarHBondContact O-CB 3.46Å; R325-K329 PolarHBondContact O-N 2.92Å; E326-K329 PolarHBondContact O-N 3.11Å; E326-K329 VanDerWaalsContact O-N 3.09Å; S327-K329 PolarHBondContact O-N 3.11Å; K329-A332 PolarHBondContact O-N 3.25Å; K329-D333 PolarHBondContact O-N 3Å
330E49.8Very low51.3Low140 Ų140123.1 Ų123.165%0.65463%0.631SS**Hα-helixtrans-65.1-41.3174.7-70.9-177.6160.100111E326 S327 A332 D333 E334E326-E330 PolarHBondContact O-N 3.27Å; S327-E330 PolarHBondContact O-N 3.36Å; E330-A332 VanDerWaalsContact C-N 3.32Å; E330-A332 PolarHBondContact O-N 3.43Å; E330-D333 PolarHBondContact O-N 3.2Å; E330-E334 PolarHBondContact O-N 2.97Å; E330-E334 VanDerWaalsContact O-N 3.1Å
331D50.6Low51.1Low113 Ų113125.1 Ų125.160%0.60464%0.641SS**Hα-helixtrans-67.5-29.3174.7-73.8-32.3000113.1S327 S335S327-D331 PolarHBondContact O-N 3.45Å; D331-S335 PolarHBondContact O-N 3.1Å; D331-S335 PolarHBondContact O-OG 3.12Å
332A50.2Low50.6Low47 Ų47127.3 Ų127.339%0.38865%0.652SS.*Hα-helixtrans-76.5-40.8177.800000112.2T328 K329 E330 E334 S335 E336T328-A332 WeakPolarHBondContact O-CB 3.46Å; T328-A332 PolarHBondContact O-N 3.48Å; K329-A332 PolarHBondContact O-N 3.25Å; E330-A332 VanDerWaalsContact C-N 3.32Å; E330-A332 PolarHBondContact O-N 3.43Å; A332-E334 VanDerWaalsContact C-N 3.35Å; A332-S335 PolarHBondContact O-N 2.75Å; A332-S335 PolarHBondContact O-OG 3.25Å; A332-E336 PolarHBondContact O-N 3.24Å
333D50.2Low49.9Very low128 Ų128127.5 Ų127.568%0.68466%0.658SS**Hα-helixtrans-71-28.1176.9-84.2-22.7000112.3K329 E330K329-D333 PolarHBondContact O-N 3Å; E330-D333 PolarHBondContact O-N 3.2Å
334E51.3Low49.5Very low150 Ų150127.1 Ų127.170%0.70166%0.66SS**Hα-helixtrans-73.4-28.2171.8-74.6-167.5165.200112.9E330 A332E330-E334 PolarHBondContact O-N 2.97Å; E330-E334 VanDerWaalsContact O-N 3.1Å; A332-E334 VanDerWaalsContact C-N 3.35Å
335S50.1Low49Very low81 Ų81127.3 Ų127.357%0.56667%0.668SS**Hα-helixtrans-83.2-19.2-179.8750000114.9D331 A332D331-S335 PolarHBondContact O-N 3.1Å; D331-S335 PolarHBondContact O-OG 3.12Å; A332-S335 PolarHBondContact O-N 2.75Å; A332-S335 PolarHBondContact O-OG 3.25Å
336E47.5Very low48.5Very low173 Ų173123.1 Ų123.181%0.80867%0.666SS**SBendtrans-89-3.9174-68.3-161.7162.400113.4A332A332-E336 PolarHBondContact O-N 3.24Å
337G41.3Very low48Very low67 Ų67122.9 Ų122.969%0.69167%0.672SS**SBendtrans-88.3-9.5176.800000115.8
338E37.4Very low47.6Very low167 Ų167128.8 Ų128.878%0.7870%0.697SS**  trans-11780.7179.5-70.7-165.6146.100111.7
339N38.2Very low47.1Very low238 Ų238132.1 Ų132.1100%1.27371%0.709SS**  trans-156.90154.5-97.4-39.8000112.9

Retrieved 339 of 339 residues in 436.5 ms (Link to these results)

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