A0A087YNX2_POEFO Loading...

Hydroperoxide isomerase ALOXE3-like

AlphaFold DB , UniProt , Accession A0A087YNX2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 669 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
1M65.4Low92.8Very high187 Ų18744.5 Ų44.592%0.92123%0.225SC*.  01330-76.5171.6165.400107.1
2A85.3Confident92.7Very high31 Ų3152.5 Ų52.526%0.25627%0.269SS..  trans-59.2135.9171.100000108.9Y4 P57 P92A2-Y4 HydrophobicContact CB-CE2 3.99Å; A2-P57 WeakPolarHBondContact O-CD 3.37Å; A2-P92 HydrophobicContact CB-CB 4.47Å; A2-P92 HydrophobicContact CB-CG 3.57Å
3E92.8Very high92.4Very high91 Ų9153.2 Ų53.243%0.42527%0.272SS..  trans-116.8120.4-179.5-172.5166.9143.700109.3T54 K56E3-T54 VanDerWaalsContact CD-CG2 3.41Å; E3-T54 HydrophobicContact CG-CG2 3.32Å; E3-T54 VanDerWaalsContact OE1-CG2 3.29Å; E3-T54 WeakPolarHBondContact OE1-CG2 3.07Å; E3-K56 HydrophobicContact CG-CG 4.43Å; E3-K56 WeakPolarHBondContact OE2-CE 2.99Å; E3-K56 IonicContact OE2-NZ 3.32Å; E3-K56 PolarHBondContact OE2-NZ 3.28Å
4Y96.6Very high91.8Very high3 Ų357.1 Ų57.11%0.01229%0.286CS..EExtended strand (participates in β ladder)trans-105126.6176-68.5-100.9000109.1A2 L26 T54 V55 P57 L61 V89 T90 A91 P92A2-Y4 HydrophobicContact CB-CE2 3.99Å; Y4-L26 HydrophobicContact CD1-CD1 4.04Å; Y4-L26 HydrophobicContact CD2-CD1 4.22Å; Y4-L26 HydrophobicContact CG-CD1 3.74Å; Y4-T54 WeakPolarHBondContact O-CA 3.14Å; Y4-V55 PolarHBondContact N-O 3Å; Y4-V55 PolarHBondContact O-N 3.35Å; Y4-P57 HydrophobicContact CD2-CG 3.88Å; Y4-P57 HydrophobicContact CE2-CG 3.68Å; Y4-L61 HydrophobicContact CE2-CD1 3.97Å; Y4-L61 HydrophobicContact CE2-CG 4.28Å; Y4-V89 HydrophobicContact CD1-CG1 3.93Å; Y4-T90 WeakPolarHBondContact CA-O 3.44Å; Y4-A91 HydrophobicContact CD1-CB 4.31Å; Y4-A91 HydrophobicContact CE1-CB 3.96Å; Y4-P92 HydrophobicContact CD2-CG 4.31Å; Y4-P92 HydrophobicContact CE2-CG 3.93Å
5K97.4Very high91.5Very high84 Ų8461.9 Ų61.937%0.36531%0.307SS..EExtended strand (participates in β ladder)trans-96.1124.5176.5-172.6-167.6-179.1-149.50109.4E7 T52 V89 T90K5-E7 IonicContact NZ-OE1 3.97Å; K5-E7 PolarHBondContact NZ-OE1 2.68Å; K5-T52 HydrophobicContact CD-CG2 3.99Å; K5-T52 HydrophobicContact CG-CG2 3.52Å; K5-V89 CarbonylContact O-C 3.57Å; K5-V89 WeakPolarHBondContact O-CA 3.39Å; K5-T90 PolarHBondContact N-O 3.01Å; K5-T90 PolarHBondContact O-N 2.86Å
6L98.1Very high91.6Very high0 Ų058.1 Ų58.10%029%0.288CS..EExtended strand (participates in β ladder)trans-110.9123.5-179.5-77.270.1000110.2V24 L26 L38 T52 Y53 V55 V88 V89L6-V24 HydrophobicContact CD2-CB 4.24Å; L6-V24 HydrophobicContact CD2-CG1 3.71Å; L6-V24 HydrophobicContact CD2-CG2 3.97Å; L6-L26 HydrophobicContact CD1-CD1 4.43Å; L6-L26 HydrophobicContact CD2-CD2 4.37Å; L6-L38 HydrophobicContact CD2-CD2 4.24Å; L6-T52 CarbonylContact O-C 3.58Å; L6-T52 WeakPolarHBondContact O-CA 3.5Å; L6-Y53 PolarHBondContact N-O 2.72Å; L6-Y53 PolarHBondContact O-N 2.81Å; L6-V55 HydrophobicContact CD1-CB 3.99Å; L6-V55 HydrophobicContact CD1-CG2 3.59Å; L6-V55 HydrophobicContact CD2-CG2 3.94Å; L6-V55 HydrophobicContact CG-CG2 4.4Å; L6-V88 CarbonylContact C-O 3.54Å; L6-V88 VanDerWaalsContact CA-O 3.32Å; L6-V88 WeakPolarHBondContact CA-O 3.49Å; L6-V89 HydrophobicContact CD1-CG1 4.18Å; L6-V89 HydrophobicContact CG-CG1 4.45Å; L6-V89 HydrophobicContact CG-CG2 4.19Å
7E98Very high91.6Very high59 Ų5955.8 Ų55.828%0.27628%0.283SS..EExtended strand (participates in β ladder)trans-106.5106.4171.4-59.9-179.2155.800109.3K5 T50 R51 I87 V88K5-E7 IonicContact NZ-OE1 3.97Å; K5-E7 PolarHBondContact NZ-OE1 2.68Å; E7-T50 HydrophobicContact CB-CG2 4.11Å; E7-R51 CarbonylContact C-O 3.43Å; E7-R51 WeakPolarHBondContact CA-O 3.48Å; E7-I87 CarbonylContact O-C 3.55Å; E7-I87 WeakPolarHBondContact O-CA 3.35Å; E7-V88 HydrophobicContact CB-CB 4.21Å; E7-V88 PolarHBondContact N-O 2.67Å; E7-V88 PolarHBondContact O-N 3.08Å
8V98.1Very high91.6Very high2 Ų253.1 Ų53.11%0.01227%0.269CS..EExtended strand (participates in β ladder)trans-100.3123.2-177.1-178.10000109.1L38 F45 T50 R51 Y53 W82 I87V8-L38 HydrophobicContact CG2-CD1 3.83Å; V8-F45 HydrophobicContact CG1-CD1 4.37Å; V8-F45 HydrophobicContact CG1-CE1 4.2Å; V8-T50 VanDerWaalsContact O-CA 3.26Å; V8-T50 WeakPolarHBondContact O-CA 3.32Å; V8-R51 PolarHBondContact N-O 2.8Å; V8-R51 PolarHBondContact O-N 2.71Å; V8-Y53 HydrophobicContact CB-CD2 4.43Å; V8-Y53 HydrophobicContact CB-CE2 3.98Å; V8-Y53 HydrophobicContact CG2-CD2 3.88Å; V8-Y53 HydrophobicContact CG2-CE2 3.86Å; V8-W82 HydrophobicContact CG1-CH2 3.69Å; V8-W82 HydrophobicContact CG1-CZ2 3.55Å; V8-I87 HydrophobicContact CG1-CG1 4.21Å; V8-I87 HydrophobicContact CG2-CD1 4.37Å; V8-I87 HydrophobicContact CG2-CG1 4.16Å; V8-I87 HydrophobicContact CG2-CG2 4.23Å
9T97.9Very high91.4Very high26 Ų2654.9 Ų54.916%0.1628%0.283CS..EExtended strand (participates in β ladder)trans-108.4121.4179.9-57.10000110.6T50 S85 K86T9-T50 WeakPolarHBondContact CG2-OG1 3.48Å; T9-T50 WeakPolarHBondContact OG1-CG2 3.41Å; T9-T50 PolarHBondContact OG1-OG1 3.05Å; T9-S85 PolarHBondContact O-N 2.99Å; T9-K86 PolarHBondContact N-O 3.42Å
10T97.4Very high91.3Very high3 Ų352.6 Ų52.62%0.01827%0.272CS..EExtended strand (participates in β ladder)trans-92139.4174-58.70000110.2A16 K46 G48 K49 W82T10-A16 HydrophobicContact CG2-CB 4.38Å; T10-A16 WeakPolarHBondContact CG2-O 3.45Å; T10-K46 WeakPolarHBondContact CB-O 3.17Å; T10-G48 WeakPolarHBondContact O-CA 3.3Å; T10-G48 PolarHBondContact O-N 3.45Å; T10-K49 PolarHBondContact N-O 3.03Å; T10-W82 PolarHBondContact OG1-NE1 2.65Å
11G93.9Very high91.3Very high3 Ų351.2 Ų51.23%0.03127%0.265CS..  trans-58.1155.9179.300000113.2A16 A47 G48 Y83 S85G11-A16 WeakPolarHBondContact O-CB 3.45Å; G11-A47 CarbonylContact O-C 3.56Å; G11-A47 VanDerWaalsContact O-CA 3.3Å; G11-A47 WeakPolarHBondContact O-CA 3.07Å; G11-G48 PolarHBondContact O-N 3.32Å; G11-Y83 PolarHBondContact N-O 3.28Å; G11-S85 VanDerWaalsContact CA-OG 3.31Å; G11-S85 WeakPolarHBondContact CA-OG 3.23Å; G11-S85 PolarHBondContact N-OG 2.9Å
12N91.9Very high92.7Very high141 Ų14142.3 Ų42.375%0.75422%0.221SC*.  trans-91.80.4-178.265.6-14.3000113.9
13M87.9Confident93.2Very high61 Ų6142.9 Ų42.930%0.322%0.217SC..SBendtrans-69.3161-178.9-51.4176-5900112H15 A16 Y83 W104M13-H15 PolarHBondContact O-N 3.46Å; M13-A16 HydrophobicContact CB-CB 4.33Å; M13-A16 VanDerWaalsContact O-CB 3.22Å; M13-A16 WeakPolarHBondContact O-CB 3.18Å; M13-A16 PolarHBondContact O-N 2.93Å; M13-A16 VanDerWaalsContact O-N 3.11Å; M13-Y83 HydrophobicContact CE-CD1 3.76Å; M13-Y83 HydrophobicContact CE-CD2 3.21Å; M13-Y83 HydrophobicContact CE-CE1 4.06Å; M13-Y83 HydrophobicContact CE-CE2 3.55Å; M13-Y83 HydrophobicContact CE-CG 3.29Å; M13-W104 HydrophobicContact CE-CH2 4.18Å; M13-W104 HydrophobicContact CE-CZ2 3.41Å; M13-W104 VanDerWaalsContact CE-CZ2 3.41Å
14K84.1Confident93.4Very high109 Ų10938.6 Ų38.647%0.47420%0.197SC..THydrogen-bonded Turntrans-54.6129.4173.1-164.8-175.8172.4-171.40109.4A16 L173 E177K14-A16 PolarHBondContact O-N 3.18Å; K14-L173 HydrophobicContact CD-CD2 4.11Å; K14-E177 VanDerWaalsContact NZ-CD 3.35Å; K14-E177 IonicContact NZ-OE1 2.83Å; K14-E177 PolarHBondContact NZ-OE1 3.11Å; K14-E177 IonicContact NZ-OE2 2.76Å; K14-E177 PolarHBondContact NZ-OE2 2.96Å
15H88.3Confident93.5Very high129 Ų12939.8 Ų39.860%0.59720%0.203SC*.THydrogen-bonded Turntrans62.514.5-178-53-62.3000117M13 G17 W104M13-H15 PolarHBondContact O-N 3.46Å; H15-G17 PolarHBondContact O-N 3.26Å; H15-W104 WeakPolarHBondContact O-CZ3 3.38Å
16A92Very high93.5Very high0 Ų035.8 Ų35.80%019%0.186CC..  trans-63.8-20.8179.200000115.1T10 G11 M13 K14 A47 W82 Y83 W104T10-A16 HydrophobicContact CG2-CB 4.38Å; T10-A16 WeakPolarHBondContact CG2-O 3.45Å; G11-A16 WeakPolarHBondContact O-CB 3.45Å; M13-A16 HydrophobicContact CB-CB 4.33Å; M13-A16 VanDerWaalsContact O-CB 3.22Å; M13-A16 WeakPolarHBondContact O-CB 3.18Å; M13-A16 PolarHBondContact O-N 2.93Å; M13-A16 VanDerWaalsContact O-N 3.11Å; K14-A16 PolarHBondContact O-N 3.18Å; A16-A47 HydrophobicContact CB-CB 4.17Å; A16-W82 VanDerWaalsContact O-CD1 3.27Å; A16-Y83 PolarHBondContact O-N 2.68Å; A16-W104 HydrophobicContact CB-CH2 4.39Å
17G92.9Very high93.4Very high20 Ų2036.3 Ų36.321%0.20619%0.188CC..  trans-88.2161.8-17600000114.4H15 F45H15-G17 PolarHBondContact O-N 3.26Å; G17-F45 CarbonylContact C-O 3.08Å; G17-F45 WeakPolarHBondContact CA-O 3.23Å
18T90.9Very high93.2Very high6 Ų633.5 Ų33.54%0.03718%0.175CC..BIsolated β-bridgetrans-137.4159.7176.8-169.90000112.7D20 I22 F45 N80 W82T18-D20 WeakPolarHBondContact OG1-CB 3.31Å; T18-D20 PolarHBondContact OG1-N 3.31Å; T18-I22 HydrophobicContact CG2-CD1 4.2Å; T18-I22 HydrophobicContact CG2-CG1 4.49Å; T18-F45 HydrophobicContact CG2-CB 3.78Å; T18-F45 HydrophobicContact CG2-CD2 4.2Å; T18-F45 HydrophobicContact CG2-CG 4.21Å; T18-F45 PolarHBondContact N-O 3.29Å; T18-N80 PolarHBondContact OG1-OD1 3.17Å; T18-W82 HydrophobicContact CG2-CB 3.65Å; T18-W82 HydrophobicContact CG2-CD2 4.34Å; T18-W82 HydrophobicContact CG2-CG 3.63Å
19T88.4Confident93Very high88 Ų8835.9 Ų35.954%0.5419%0.191SC..  trans-1112.5169.556.20000112F74T19-F74 WeakPolarHBondContact O-CB 3.49Å
20D89.3Confident92.8Very high9 Ų941 Ų415%0.04821%0.214CC..SBendtrans-71.6164.8175.5-84.7-12.5000111.6T18 K71 D72 F74T18-D20 WeakPolarHBondContact OG1-CB 3.31Å; T18-D20 PolarHBondContact OG1-N 3.31Å; D20-K71 HydrophobicContact CB-CD 4.25Å; D20-K71 HydrophobicContact CB-CG 3.86Å; D20-K71 IonicContact OD2-NZ 3.59Å; D20-K71 PolarHBondContact OD2-NZ 2.85Å; D20-D72 WeakPolarHBondContact CB-O 3.48Å; D20-F74 PolarHBondContact OD1-N 3.33Å
21N90.7Very high92.6Very high24 Ų2442.4 Ų42.413%0.12823%0.229CC..EExtended strand (participates in β ladder)trans-80126.3177.6-60.4-59.9000109.3Y23 K37 D72N21-Y23 HydrophobicContact CB-CD2 4.27Å; N21-Y23 HydrophobicContact CB-CE2 3.51Å; N21-K37 WeakPolarHBondContact OD1-CE 3.41Å; N21-K37 PolarHBondContact OD1-NZ 3.2Å; N21-K37 VanDerWaalsContact OD1-NZ 3.15Å; N21-D72 HydrophobicContact CB-CB 4.17Å; N21-D72 PolarHBondContact N-O 2.83Å; N21-D72 PolarHBondContact O-N 3.36Å
22I94.8Very high92.7Very high0 Ų047.9 Ų47.90%025%0.253CS..EExtended strand (participates in β ladder)trans-102.5131.3172.5-54.5-56.6000109.2T18 L38 F45 V69 E70 K71 W82T18-I22 HydrophobicContact CG2-CD1 4.2Å; T18-I22 HydrophobicContact CG2-CG1 4.49Å; I22-L38 HydrophobicContact CG2-CD1 4.05Å; I22-L38 PolarHBondContact O-N 2.85Å; I22-F45 HydrophobicContact CB-CD2 4.42Å; I22-F45 HydrophobicContact CB-CE1 4.05Å; I22-F45 HydrophobicContact CB-CE2 3.7Å; I22-F45 HydrophobicContact CB-CZ 3.5Å; I22-F45 VanDerWaalsContact CB-CZ 3.5Å; I22-F45 HydrophobicContact CG1-CD1 4.1Å; I22-F45 HydrophobicContact CG1-CD2 3.59Å; I22-F45 HydrophobicContact CG1-CE1 3.88Å; I22-F45 HydrophobicContact CG1-CE2 3.36Å; I22-F45 HydrophobicContact CG1-CG 3.98Å; I22-F45 HydrophobicContact CG1-CZ 3.54Å; I22-F45 HydrophobicContact CG2-CE1 4.46Å; I22-F45 HydrophobicContact CG2-CZ 4.3Å; I22-V69 HydrophobicContact CG2-CG1 3.91Å; I22-E70 WeakPolarHBondContact CA-O 3.48Å; I22-K71 HydrophobicContact CD1-CB 3.86Å; I22-K71 HydrophobicContact CD1-CD 4.33Å; I22-K71 HydrophobicContact CD1-CG 3.68Å; I22-W82 HydrophobicContact CD1-CD2 4.13Å; I22-W82 HydrophobicContact CD1-CE3 3.55Å; I22-W82 HydrophobicContact CD1-CZ3 3.89Å; I22-W82 HydrophobicContact CG1-CE3 4.14Å; I22-W82 HydrophobicContact CG1-CZ3 4.13Å; I22-W82 HydrophobicContact CG2-CH2 4.17Å; I22-W82 HydrophobicContact CG2-CZ3 3.84Å
23Y95.8Very high92.9Very high42 Ų4241.3 Ų41.317%0.16522%0.218CC..EExtended strand (participates in β ladder)trans-116.8147.9175.7-65-95.5000110.4N21 R35 T36 K37 V69 E70 D72N21-Y23 HydrophobicContact CB-CD2 4.27Å; N21-Y23 HydrophobicContact CB-CE2 3.51Å; Y23-R35 HydrophobicContact CD1-CG 3.91Å; Y23-R35 VanDerWaalsContact CD2-CZ 3.41Å; Y23-R35 HydrophobicContact CG-CG 4.22Å; Y23-T36 VanDerWaalsContact CA-O 3.31Å; Y23-T36 WeakPolarHBondContact CA-O 3.3Å; Y23-K37 HydrophobicContact CD1-CB 3.83Å; Y23-K37 HydrophobicContact CD1-CG 4.34Å; Y23-K37 HydrophobicContact CE1-CB 3.48Å; Y23-K37 VanDerWaalsContact CE1-CB 3.48Å; Y23-K37 HydrophobicContact CE1-CG 3.86Å; Y23-V69 WeakPolarHBondContact O-CA 3.38Å; Y23-E70 PolarHBondContact N-O 3.41Å; Y23-E70 PolarHBondContact O-N 3.15Å; Y23-D72 HydrophobicContact CD2-CB 3.94Å; Y23-D72 HydrophobicContact CE2-CB 3.59Å; Y23-D72 WeakPolarHBondContact CE2-OD2 3.43Å
24V97.5Very high93.3Very high1 Ų142.9 Ų42.91%0.00623%0.225CC..EExtended strand (participates in β ladder)trans-126.8147.1174.774.20000110.8L6 L26 T36 L38 V55 I67 K68L6-V24 HydrophobicContact CD2-CB 4.24Å; L6-V24 HydrophobicContact CD2-CG1 3.71Å; L6-V24 HydrophobicContact CD2-CG2 3.97Å; V24-L26 HydrophobicContact CG2-CD2 4.07Å; V24-T36 PolarHBondContact N-O 2.83Å; V24-T36 PolarHBondContact O-N 2.83Å; V24-L38 HydrophobicContact CB-CD1 4.44Å; V24-L38 HydrophobicContact CB-CD2 4.38Å; V24-L38 HydrophobicContact CB-CG 4.47Å; V24-L38 HydrophobicContact CG1-CD2 3.69Å; V24-L38 HydrophobicContact CG1-CG 4.27Å; V24-V55 HydrophobicContact CG1-CG2 3.8Å; V24-I67 HydrophobicContact CG2-CB 4.43Å; V24-K68 CarbonylContact C-O 3.6Å; V24-K68 VanDerWaalsContact CA-O 3.26Å; V24-K68 WeakPolarHBondContact CA-O 3.4Å; V24-K68 WeakPolarHBondContact CG2-O 3.39Å
25I97.3Very high93.8Very high28 Ų2842.2 Ų42.214%0.14422%0.22CC..EExtended strand (participates in β ladder)trans-128.7124.6166.8-55.2166000107.5F27 Q32 S33 R35 I67 K68I25-F27 HydrophobicContact CB-CD2 4.48Å; I25-F27 HydrophobicContact CB-CE2 3.79Å; I25-F27 HydrophobicContact CG2-CD2 3.98Å; I25-F27 HydrophobicContact CG2-CE2 3.32Å; I25-F27 HydrophobicContact CG2-CZ 3.8Å; I25-Q32 HydrophobicContact CG2-CB 4.31Å; I25-S33 WeakPolarHBondContact CG2-O 3.46Å; I25-R35 HydrophobicContact CD1-CB 4.32Å; I25-R35 HydrophobicContact CD1-CG 4.47Å; I25-R35 HydrophobicContact CG1-CB 4.09Å; I25-R35 HydrophobicContact CG1-CG 4.3Å; I25-I67 WeakPolarHBondContact O-CA 3.38Å; I25-K68 HydrophobicContact CB-CB 4.29Å; I25-K68 PolarHBondContact N-O 3.48Å; I25-K68 PolarHBondContact O-N 3.14Å
26L97.3Very high94.2Very high0 Ų037.7 Ų37.70%020%0.201CC..EExtended strand (participates in β ladder)trans-92.2128.1177.1-55.4-176.8000109.2Y4 L6 V24 Q32 S33 V55 L61 L64 I67 V89Y4-L26 HydrophobicContact CD1-CD1 4.04Å; Y4-L26 HydrophobicContact CD2-CD1 4.22Å; Y4-L26 HydrophobicContact CG-CD1 3.74Å; L6-L26 HydrophobicContact CD1-CD1 4.43Å; L6-L26 HydrophobicContact CD2-CD2 4.37Å; V24-L26 HydrophobicContact CG2-CD2 4.07Å; L26-Q32 CarbonylContact O-C 3.32Å; L26-Q32 WeakPolarHBondContact O-CA 3.44Å; L26-S33 PolarHBondContact N-OG 3.06Å; L26-S33 PolarHBondContact O-N 3.17Å; L26-V55 HydrophobicContact CD1-CB 4.09Å; L26-V55 HydrophobicContact CD1-CG1 3.87Å; L26-V55 HydrophobicContact CG-CG1 4.31Å; L26-L61 HydrophobicContact CB-CD1 3.61Å; L26-L61 HydrophobicContact CD1-CD1 4.19Å; L26-L64 HydrophobicContact CB-CD1 3.9Å; L26-I67 HydrophobicContact CD2-CB 4.37Å; L26-I67 HydrophobicContact CD2-CG2 3.51Å; L26-V89 HydrophobicContact CD1-CG1 4.48Å; L26-V89 HydrophobicContact CD2-CG1 4.44Å; L26-V89 HydrophobicContact CD2-CG2 4.41Å
27F96.4Very high94.4Very high12 Ų1241.2 Ų41.25%0.05322%0.216CC..EExtended strand (participates in β ladder)trans-110.2124176-72-100.2000109.4I25 Q32 L64 L65 F66 K68 M128I25-F27 HydrophobicContact CB-CD2 4.48Å; I25-F27 HydrophobicContact CB-CE2 3.79Å; I25-F27 HydrophobicContact CG2-CD2 3.98Å; I25-F27 HydrophobicContact CG2-CE2 3.32Å; I25-F27 HydrophobicContact CG2-CZ 3.8Å; F27-Q32 HydrophobicContact CD1-CB 3.82Å; F27-Q32 HydrophobicContact CE1-CB 3.91Å; F27-Q32 HydrophobicContact CG-CB 4.28Å; F27-Q32 HydrophobicContact CZ-CB 4.34Å; F27-L64 WeakPolarHBondContact O-CD1 3.48Å; F27-L65 WeakPolarHBondContact O-CA 3.48Å; F27-L65 WeakPolarHBondContact O-CB 3.47Å; F27-L65 PolarHBondContact O-N 2.86Å; F27-F66 HydrophobicContact CB-CD1 3.94Å; F27-F66 HydrophobicContact CB-CD2 4.12Å; F27-F66 HydrophobicContact CB-CE1 3.72Å; F27-F66 HydrophobicContact CB-CE2 3.9Å; F27-F66 HydrophobicContact CB-CG 4.12Å; F27-F66 HydrophobicContact CB-CZ 3.7Å; F27-F66 WeakPolarHBondContact CB-O 3.43Å; F27-F66 HydrophobicContact CD1-CE1 4.26Å; F27-F66 AromaticContact CD1-CE2 3.99Å; F27-F66 HydrophobicContact CD1-CE2 3.99Å; F27-F66 AromaticContact CD1-CZ 3.58Å; F27-F66 HydrophobicContact CD1-CZ 3.58Å; F27-F66 AromaticContact CD2-CD2 3.97Å; F27-F66 HydrophobicContact CD2-CD2 3.97Å; F27-F66 AromaticContact CD2-CE2 3.51Å; F27-F66 HydrophobicContact CD2-CE2 3.51Å; F27-F66 AromaticContact CD2-CZ 3.98Å; F27-F66 HydrophobicContact CD2-CZ 3.98Å; F27-F66 HydrophobicContact CE1-CE2 4.39Å; F27-F66 HydrophobicContact CE1-CZ 4.15Å; F27-F66 HydrophobicContact CE2-CE2 4.02Å; F27-F66 HydrophobicContact CG-CD2 4.1Å; F27-F66 HydrophobicContact CG-CE1 4.03Å; F27-F66 AromaticContact CG-CE2 3.51Å; F27-F66 HydrophobicContact CG-CE2 3.51Å; F27-F66 AromaticContact CG-CZ 3.46Å; F27-F66 HydrophobicContact CG-CZ 3.46Å; F27-F66 VanDerWaalsContact CG-CZ 3.46Å; F27-F66 HydrophobicContact CZ-CE2 4.43Å; F27-F66 PolarHBondContact N-O 3.34Å; F27-F66 PolarHBondContact O-N 3.44Å; F27-K68 HydrophobicContact CD2-CG 4.05Å; F27-K68 HydrophobicContact CE2-CB 4.18Å; F27-K68 HydrophobicContact CE2-CD 3.53Å; F27-K68 VanDerWaalsContact CE2-CE 3.48Å; F27-K68 HydrophobicContact CE2-CG 3.46Å; F27-K68 VanDerWaalsContact CE2-CG 3.46Å; F27-K68 HydrophobicContact CZ-CD 3.84Å; F27-K68 VanDerWaalsContact CZ-CE 3.42Å; F27-K68 HydrophobicContact CZ-CG 4.27Å; F27-M128 HydrophobicContact CD1-CE 3.55Å; F27-M128 HydrophobicContact CE1-CE 4.22Å; F27-M128 HydrophobicContact CG-CE 4.47Å
28G94.8Very high94.5Very high0 Ų040.4 Ų40.40%021%0.207CC..EExtended strand (participates in β ladder)trans-124177.5174.400000112.6E30 G31 L61 K63G28-E30 PolarHBondContact O-N 3.16Å; G28-G31 CarbonylContact C-O 3.59Å; G28-G31 PolarHBondContact N-O 3.47Å; G28-G31 PolarHBondContact O-N 2.74Å; G28-G31 VanDerWaalsContact O-O 3.07Å; G28-L61 CarbonylContact C-O 3.57Å; G28-L61 WeakPolarHBondContact CA-O 3.43Å; G28-K63 CarbonylContact C-O 3.52Å; G28-K63 WeakPolarHBondContact CA-O 3.24Å
29S94.1Very high94.6Very high51 Ų5144.4 Ų44.436%0.35723%0.228SC..THydrogen-bonded Turntrans-64.2-22.8-177.258.60000114.3L61 K63S29-L61 PolarHBondContact N-O 3.46Å; S29-K63 PolarHBondContact N-O 3.48Å; S29-K63 PolarHBondContact OG-N 2.94Å
30E93.2Very high94.7Very high135 Ų13543.2 Ų43.263%0.63122%0.218SC*.THydrogen-bonded Turntrans-108.1-6.8-176.7-62.4178.8169.100113.3G28 S60 L61G28-E30 PolarHBondContact O-N 3.16Å; E30-S60 WeakPolarHBondContact OE2-CB 3.33Å; E30-S60 PolarHBondContact OE2-OG 2.82Å; E30-L61 PolarHBondContact N-O 3.36Å
31G92.6Very high94.4Very high32 Ų3248.2 Ų48.233%0.3325%0.254SS..EExtended strand (participates in β ladder)trans164.6-169.1-177.700000113.8G28G28-G31 CarbonylContact C-O 3.59Å; G28-G31 PolarHBondContact N-O 3.47Å; G28-G31 PolarHBondContact O-N 2.74Å; G28-G31 VanDerWaalsContact O-O 3.07Å
32Q95.7Very high94.1Very high117 Ų11750.2 Ų50.255%0.54728%0.281SS..EExtended strand (participates in β ladder)trans-125.9153.4175.168.5-17916.100110.1I25 L26 F27 L61I25-Q32 HydrophobicContact CG2-CB 4.31Å; L26-Q32 CarbonylContact O-C 3.32Å; L26-Q32 WeakPolarHBondContact O-CA 3.44Å; F27-Q32 HydrophobicContact CD1-CB 3.82Å; F27-Q32 HydrophobicContact CE1-CB 3.91Å; F27-Q32 HydrophobicContact CG-CB 4.28Å; F27-Q32 HydrophobicContact CZ-CB 4.34Å; Q32-L61 VanDerWaalsContact C-CD2 3.43Å
33S96.6Very high93.6Very high3 Ų355.6 Ų55.62%0.02131%0.308CS..  trans-72.7166.8169.876.10000111.4I25 L26I25-S33 WeakPolarHBondContact CG2-O 3.46Å; L26-S33 PolarHBondContact N-OG 3.06Å; L26-S33 PolarHBondContact O-N 3.17Å
34E96Very high93.3Very high94 Ų9454.4 Ų54.444%0.43931%0.305SS..  trans-65155.7162.1-60.278.4-17500110.6T36 P57 A58E34-T36 PolarHBondContact O-N 2.85Å; E34-T36 VanDerWaalsContact O-N 3.09Å; E34-T36 PolarHBondContact O-OG1 2.73Å; E34-P57 WeakPolarHBondContact OE2-CA 3.06Å; E34-A58 WeakPolarHBondContact OE1-CB 3.41Å; E34-A58 PolarHBondContact OE2-N 2.83Å
35R95.4Very high93.1Very high96 Ų9654.7 Ų54.736%0.36231%0.306SS..  trans-64.2108.7170.1-175.3-178.7-172.5-104.26109.4Y23 I25 E70 D72Y23-R35 HydrophobicContact CD1-CG 3.91Å; Y23-R35 VanDerWaalsContact CD2-CZ 3.41Å; Y23-R35 HydrophobicContact CG-CG 4.22Å; I25-R35 HydrophobicContact CD1-CB 4.32Å; I25-R35 HydrophobicContact CD1-CG 4.47Å; I25-R35 HydrophobicContact CG1-CB 4.09Å; I25-R35 HydrophobicContact CG1-CG 4.3Å; R35-E70 IonicContact CZ-OE2 3.01Å; R35-E70 VanDerWaalsContact CZ-OE2 3.22Å; R35-E70 IonicContact NE-OE2 3.56Å; R35-E70 PolarHBondContact NE-OE2 2.93Å; R35-E70 IonicContact NH2-OE1 3.77Å; R35-E70 IonicContact NH2-OE2 2.98Å; R35-E70 PolarHBondContact NH2-OE2 3.3Å; R35-D72 IonicContact CZ-OD2 2.73Å; R35-D72 IonicContact NH1-OD2 3.63Å; R35-D72 PolarHBondContact NH1-OD2 2.74Å; R35-D72 IonicContact NH2-OD1 2.83Å; R35-D72 PolarHBondContact NH2-OD1 3.34Å; R35-D72 IonicContact NH2-OD2 2.79Å; R35-D72 PolarHBondContact NH2-OD2 2.86Å
36T96.3Very high92.9Very high33 Ų3359.6 Ų59.620%0.20233%0.326CS..EExtended strand (participates in β ladder)trans-110.4124.4-171.6-56.70000110.4Y23 V24 E34 V55Y23-T36 VanDerWaalsContact CA-O 3.31Å; Y23-T36 WeakPolarHBondContact CA-O 3.3Å; V24-T36 PolarHBondContact N-O 2.83Å; V24-T36 PolarHBondContact O-N 2.83Å; E34-T36 PolarHBondContact O-N 2.85Å; E34-T36 VanDerWaalsContact O-N 3.09Å; E34-T36 PolarHBondContact O-OG1 2.73Å; T36-V55 HydrophobicContact CG2-CG2 4.06Å
37K95.6Very high92.8Very high75 Ų7561.4 Ų61.433%0.32634%0.342SS..EExtended strand (participates in β ladder)trans-70.4129.3172.4-167.7-171.1172.8-169.60109.2N21 Y23 D39N21-K37 WeakPolarHBondContact OD1-CE 3.41Å; N21-K37 PolarHBondContact OD1-NZ 3.2Å; N21-K37 VanDerWaalsContact OD1-NZ 3.15Å; Y23-K37 HydrophobicContact CD1-CB 3.83Å; Y23-K37 HydrophobicContact CD1-CG 4.34Å; Y23-K37 HydrophobicContact CE1-CB 3.48Å; Y23-K37 VanDerWaalsContact CE1-CB 3.48Å; Y23-K37 HydrophobicContact CE1-CG 3.86Å; K37-D39 HydrophobicContact CD-CB 3.97Å; K37-D39 WeakPolarHBondContact CE-OD2 3.44Å; K37-D39 HydrophobicContact CG-CB 4.18Å; K37-D39 IonicContact NZ-OD2 2.79Å; K37-D39 PolarHBondContact NZ-OD2 3.46Å; K37-D39 PolarHBondContact O-N 2.92Å
38L95.7Very high92.7Very high3 Ų362.8 Ų62.82%0.01636%0.359CS..EExtended strand (participates in β ladder)trans-85.9102.1170.9-58.9-170.7000108.3L6 V8 I22 V24 F45 Y53L6-L38 HydrophobicContact CD2-CD2 4.24Å; V8-L38 HydrophobicContact CG2-CD1 3.83Å; I22-L38 HydrophobicContact CG2-CD1 4.05Å; I22-L38 PolarHBondContact O-N 2.85Å; V24-L38 HydrophobicContact CB-CD1 4.44Å; V24-L38 HydrophobicContact CB-CD2 4.38Å; V24-L38 HydrophobicContact CB-CG 4.47Å; V24-L38 HydrophobicContact CG1-CD2 3.69Å; V24-L38 HydrophobicContact CG1-CG 4.27Å; L38-F45 HydrophobicContact CB-CZ 3.84Å; L38-Y53 HydrophobicContact CB-CD1 3.76Å; L38-Y53 HydrophobicContact CB-CD2 4.32Å; L38-Y53 HydrophobicContact CB-CE1 3.87Å; L38-Y53 HydrophobicContact CB-CE2 4.44Å; L38-Y53 HydrophobicContact CB-CG 3.99Å; L38-Y53 HydrophobicContact CD1-CD2 4.25Å; L38-Y53 HydrophobicContact CD2-CD1 4.38Å; L38-Y53 HydrophobicContact CD2-CD2 4.38Å; L38-Y53 HydrophobicContact CD2-CG 3.93Å; L38-Y53 HydrophobicContact CG-CG 4.37Å
39D92.9Very high92.8Very high90 Ų9068.3 Ų68.348%0.48138%0.383SS..  trans-142.7125.5-173.1-161.6-1.5000110.1K37 D44K37-D39 HydrophobicContact CD-CB 3.97Å; K37-D39 WeakPolarHBondContact CE-OD2 3.44Å; K37-D39 HydrophobicContact CG-CB 4.18Å; K37-D39 IonicContact NZ-OD2 2.79Å; K37-D39 PolarHBondContact NZ-OD2 3.46Å; K37-D39 PolarHBondContact O-N 2.92Å; D39-D44 WeakPolarHBondContact CA-OD2 3.23Å
40N90.5Very high92.9Very high62 Ų6269.6 Ų69.633%0.33239%0.388SS..  trans-129.1174.6168.6-66.6-55.8000109.8G42 D44 T52 Y53N40-G42 PolarHBondContact O-N 3.21Å; N40-D44 WeakPolarHBondContact CB-OD1 3.42Å; N40-D44 PolarHBondContact N-OD1 3.43Å; N40-D44 PolarHBondContact N-OD2 3Å; N40-T52 PolarHBondContact ND2-O 3.19Å; N40-Y53 VanDerWaalsContact ND2-CD1 3.29Å; N40-Y53 WeakPolarHBondContact ND2-CD1 3.29Å; N40-Y53 WeakPolarHBondContact ND2-CE1 3.47Å
41S84.1Confident93.1Very high114 Ų11466.6 Ų66.680%0.79737%0.371SS*.SBendtrans-63.3135171.959.10000112.2R51S41-R51 PolarHBondContact O-NH1 3.36Å
42G84.3Confident93.3Very high67 Ų6767.8 Ų67.869%0.69137%0.372SS*.SBendtrans90.5-154.717900000113.9N40N40-G42 PolarHBondContact O-N 3.21Å
43I83.9Confident93.4Very high112 Ų11262.5 Ų62.557%0.57435%0.347SS*.  trans-93.5119.4-179.6-58.7172.7000109.2R51I43-R51 PolarHBondContact O-NE 2.91Å; I43-R51 VanDerWaalsContact O-NE 3.14Å; I43-R51 PolarHBondContact O-NH2 3.13Å
44D89.2Confident93.4Very high17 Ų1765.4 Ų65.49%0.09137%0.365CS..  trans-80.6-56.4-170.7-85.8-39.1000114.8D39 N40 K46 R51 Y53D39-D44 WeakPolarHBondContact CA-OD2 3.23Å; N40-D44 WeakPolarHBondContact CB-OD1 3.42Å; N40-D44 PolarHBondContact N-OD1 3.43Å; N40-D44 PolarHBondContact N-OD2 3Å; D44-K46 PolarHBondContact O-N 3.42Å; D44-R51 VanDerWaalsContact O-CD 3.26Å; D44-R51 WeakPolarHBondContact O-CD 3.43Å; D44-R51 WeakPolarHBondContact OD1-CD 3.41Å; D44-R51 IonicContact OD1-CZ 2.94Å; D44-R51 IonicContact OD1-NE 2.79Å; D44-R51 IonicContact OD1-NH1 2.63Å; D44-R51 PolarHBondContact OD1-NH1 3.41Å; D44-Y53 HydrophobicContact CB-CE1 4.48Å; D44-Y53 VanDerWaalsContact CB-OH 3.24Å; D44-Y53 WeakPolarHBondContact CB-OH 3.18Å; D44-Y53 PolarHBondContact OD1-OH 3.48Å
45F93Very high93.4Very high8 Ų861 Ų614%0.03534%0.344CS..BIsolated β-bridgetrans-100.353.4-169.2-51.6-73.8000112.5V8 G17 T18 I22 L38 Y53 W82V8-F45 HydrophobicContact CG1-CD1 4.37Å; V8-F45 HydrophobicContact CG1-CE1 4.2Å; G17-F45 CarbonylContact C-O 3.08Å; G17-F45 WeakPolarHBondContact CA-O 3.23Å; T18-F45 HydrophobicContact CG2-CB 3.78Å; T18-F45 HydrophobicContact CG2-CD2 4.2Å; T18-F45 HydrophobicContact CG2-CG 4.21Å; T18-F45 PolarHBondContact N-O 3.29Å; I22-F45 HydrophobicContact CB-CD2 4.42Å; I22-F45 HydrophobicContact CB-CE1 4.05Å; I22-F45 HydrophobicContact CB-CE2 3.7Å; I22-F45 HydrophobicContact CB-CZ 3.5Å; I22-F45 VanDerWaalsContact CB-CZ 3.5Å; I22-F45 HydrophobicContact CG1-CD1 4.1Å; I22-F45 HydrophobicContact CG1-CD2 3.59Å; I22-F45 HydrophobicContact CG1-CE1 3.88Å; I22-F45 HydrophobicContact CG1-CE2 3.36Å; I22-F45 HydrophobicContact CG1-CG 3.98Å; I22-F45 HydrophobicContact CG1-CZ 3.54Å; I22-F45 HydrophobicContact CG2-CE1 4.46Å; I22-F45 HydrophobicContact CG2-CZ 4.3Å; L38-F45 HydrophobicContact CB-CZ 3.84Å; F45-Y53 HydrophobicContact CE1-CE2 4.21Å; F45-Y53 AromaticContact CE1-CZ 3.93Å; F45-Y53 WeakPolarHBondContact CE1-OH 3.31Å; F45-Y53 HydrophobicContact CZ-CE1 4.47Å; F45-Y53 AromaticContact CZ-CZ 3.96Å; F45-W82 AromaticContact CD1-CZ2 3.89Å; F45-W82 HydrophobicContact CD1-CZ2 3.89Å; F45-W82 HydrophobicContact CE1-CZ2 4.45Å
46K94Very high93.4Very high130 Ų13061.7 Ų61.757%0.56535%0.35SS*.  trans-74.2138.3176.7-174.2173.4-179.3174.70110.7T10 D44 G48 K49T10-K46 WeakPolarHBondContact CB-O 3.17Å; D44-K46 PolarHBondContact O-N 3.42Å; K46-G48 PolarHBondContact O-N 3.18Å; K46-K49 HydrophobicContact CB-CB 4.41Å; K46-K49 HydrophobicContact CB-CG 3.99Å; K46-K49 HydrophobicContact CD-CG 4.43Å; K46-K49 HydrophobicContact CG-CG 4.24Å; K46-K49 WeakPolarHBondContact O-CB 3.22Å; K46-K49 PolarHBondContact O-N 3.49Å; K46-K49 VanDerWaalsContact O-N 3.12Å
47A94.3Very high93.2Very high39 Ų3960.2 Ų60.232%0.32234%0.341SS..THydrogen-bonded Turntrans-49.9133.4175.900000112.4G11 A16 K49G11-A47 CarbonylContact O-C 3.56Å; G11-A47 VanDerWaalsContact O-CA 3.3Å; G11-A47 WeakPolarHBondContact O-CA 3.07Å; A16-A47 HydrophobicContact CB-CB 4.17Å; A47-K49 VanDerWaalsContact C-N 3.28Å; A47-K49 PolarHBondContact O-N 3.3Å
48G94.8Very high93Very high40 Ų4059.7 Ų59.741%0.41235%0.351SS..THydrogen-bonded Turntrans69.717.1179.300000114.8T10 G11 K46T10-G48 WeakPolarHBondContact O-CA 3.3Å; T10-G48 PolarHBondContact O-N 3.45Å; G11-G48 PolarHBondContact O-N 3.32Å; K46-G48 PolarHBondContact O-N 3.18Å
49K96.2Very high92.7Very high117 Ų11763.8 Ų63.851%0.50938%0.38SS..  trans-113.6147.2179.3-60.1-60.2178.9-171.50112T10 K46 A47T10-K49 PolarHBondContact N-O 3.03Å; K46-K49 HydrophobicContact CB-CB 4.41Å; K46-K49 HydrophobicContact CB-CG 3.99Å; K46-K49 HydrophobicContact CD-CG 4.43Å; K46-K49 HydrophobicContact CG-CG 4.24Å; K46-K49 WeakPolarHBondContact O-CB 3.22Å; K46-K49 PolarHBondContact O-N 3.49Å; K46-K49 VanDerWaalsContact O-N 3.12Å; A47-K49 VanDerWaalsContact C-N 3.28Å; A47-K49 PolarHBondContact O-N 3.3Å
50T97.1Very high92.6Very high77 Ų7762.7 Ų62.747%0.47238%0.379SS..EExtended strand (participates in β ladder)trans-108.6133.7168-55.90000108.7E7 V8 T9E7-T50 HydrophobicContact CB-CG2 4.11Å; V8-T50 VanDerWaalsContact O-CA 3.26Å; V8-T50 WeakPolarHBondContact O-CA 3.32Å; T9-T50 WeakPolarHBondContact CG2-OG1 3.48Å; T9-T50 WeakPolarHBondContact OG1-CG2 3.41Å; T9-T50 PolarHBondContact OG1-OG1 3.05Å
51R96.8Very high92.8Very high72 Ų7259.8 Ų59.827%0.27236%0.364SS..EExtended strand (participates in β ladder)trans-129151173.8-80.4-160176.9-140.5-10.5111.4E7 V8 S41 I43 D44 Y53E7-R51 CarbonylContact C-O 3.43Å; E7-R51 WeakPolarHBondContact CA-O 3.48Å; V8-R51 PolarHBondContact N-O 2.8Å; V8-R51 PolarHBondContact O-N 2.71Å; S41-R51 PolarHBondContact O-NH1 3.36Å; I43-R51 PolarHBondContact O-NE 2.91Å; I43-R51 VanDerWaalsContact O-NE 3.14Å; I43-R51 PolarHBondContact O-NH2 3.13Å; D44-R51 VanDerWaalsContact O-CD 3.26Å; D44-R51 WeakPolarHBondContact O-CD 3.43Å; D44-R51 WeakPolarHBondContact OD1-CD 3.41Å; D44-R51 IonicContact OD1-CZ 2.94Å; D44-R51 IonicContact OD1-NE 2.79Å; D44-R51 IonicContact OD1-NH1 2.63Å; D44-R51 PolarHBondContact OD1-NH1 3.41Å; R51-Y53 HydrophobicContact CB-CE2 3.76Å; R51-Y53 WeakPolarHBondContact CB-OH 3.46Å
52T97.2Very high93.2Very high57 Ų5755.4 Ų55.435%0.3534%0.336SS..EExtended strand (participates in β ladder)trans-101.7137.2179.6-62.40000110.9K5 L6 N40K5-T52 HydrophobicContact CD-CG2 3.99Å; K5-T52 HydrophobicContact CG-CG2 3.52Å; L6-T52 CarbonylContact O-C 3.58Å; L6-T52 WeakPolarHBondContact O-CA 3.5Å; N40-T52 PolarHBondContact ND2-O 3.19Å
53Y97.6Very high93.5Very high6 Ų659.8 Ų59.82%0.02434%0.336CS..EExtended strand (participates in β ladder)trans-131.4163174.6-52-89.5000110.1L6 V8 L38 N40 D44 F45 R51L6-Y53 PolarHBondContact N-O 2.72Å; L6-Y53 PolarHBondContact O-N 2.81Å; V8-Y53 HydrophobicContact CB-CD2 4.43Å; V8-Y53 HydrophobicContact CB-CE2 3.98Å; V8-Y53 HydrophobicContact CG2-CD2 3.88Å; V8-Y53 HydrophobicContact CG2-CE2 3.86Å; L38-Y53 HydrophobicContact CB-CD1 3.76Å; L38-Y53 HydrophobicContact CB-CD2 4.32Å; L38-Y53 HydrophobicContact CB-CE1 3.87Å; L38-Y53 HydrophobicContact CB-CE2 4.44Å; L38-Y53 HydrophobicContact CB-CG 3.99Å; L38-Y53 HydrophobicContact CD1-CD2 4.25Å; L38-Y53 HydrophobicContact CD2-CD1 4.38Å; L38-Y53 HydrophobicContact CD2-CD2 4.38Å; L38-Y53 HydrophobicContact CD2-CG 3.93Å; L38-Y53 HydrophobicContact CG-CG 4.37Å; N40-Y53 VanDerWaalsContact ND2-CD1 3.29Å; N40-Y53 WeakPolarHBondContact ND2-CD1 3.29Å; N40-Y53 WeakPolarHBondContact ND2-CE1 3.47Å; D44-Y53 HydrophobicContact CB-CE1 4.48Å; D44-Y53 VanDerWaalsContact CB-OH 3.24Å; D44-Y53 WeakPolarHBondContact CB-OH 3.18Å; D44-Y53 PolarHBondContact OD1-OH 3.48Å; F45-Y53 HydrophobicContact CE1-CE2 4.21Å; F45-Y53 AromaticContact CE1-CZ 3.93Å; F45-Y53 WeakPolarHBondContact CE1-OH 3.31Å; F45-Y53 HydrophobicContact CZ-CE1 4.47Å; F45-Y53 AromaticContact CZ-CZ 3.96Å; R51-Y53 HydrophobicContact CB-CE2 3.76Å; R51-Y53 WeakPolarHBondContact CB-OH 3.46Å
54T96.1Very high94Very high65 Ų6555.1 Ų55.140%0.39931%0.312SS..EExtended strand (participates in β ladder)trans-123.2125.5-179.7-56.70000109.7E3 Y4 K56E3-T54 VanDerWaalsContact CD-CG2 3.41Å; E3-T54 HydrophobicContact CG-CG2 3.32Å; E3-T54 VanDerWaalsContact OE1-CG2 3.29Å; E3-T54 WeakPolarHBondContact OE1-CG2 3.07Å; Y4-T54 WeakPolarHBondContact O-CA 3.14Å; T54-K56 HydrophobicContact CG2-CD 4.45Å; T54-K56 VanDerWaalsContact CG2-CE 3.45Å; T54-K56 HydrophobicContact CG2-CG 4.05Å
55V96.3Very high94.2Very high0 Ų055.2 Ų55.20%031%0.313CS..EExtended strand (participates in β ladder)trans-113.5127.1175.2178.50000108.7Y4 L6 V24 L26 T36 P57Y4-V55 PolarHBondContact N-O 3Å; Y4-V55 PolarHBondContact O-N 3.35Å; L6-V55 HydrophobicContact CD1-CB 3.99Å; L6-V55 HydrophobicContact CD1-CG2 3.59Å; L6-V55 HydrophobicContact CD2-CG2 3.94Å; L6-V55 HydrophobicContact CG-CG2 4.4Å; V24-V55 HydrophobicContact CG1-CG2 3.8Å; L26-V55 HydrophobicContact CD1-CB 4.09Å; L26-V55 HydrophobicContact CD1-CG1 3.87Å; L26-V55 HydrophobicContact CG-CG1 4.31Å; T36-V55 HydrophobicContact CG2-CG2 4.06Å; V55-P57 WeakPolarHBondContact O-CD 3.39Å
56K94.9Very high94.4Very high111 Ų11155.3 Ų55.348%0.48331%0.313SS..  trans-120.484-176.1-61.1-171.7-177.4-153.90109.6E3 T54E3-K56 HydrophobicContact CG-CG 4.43Å; E3-K56 WeakPolarHBondContact OE2-CE 2.99Å; E3-K56 IonicContact OE2-NZ 3.32Å; E3-K56 PolarHBondContact OE2-NZ 3.28Å; T54-K56 HydrophobicContact CG2-CD 4.45Å; T54-K56 VanDerWaalsContact CG2-CE 3.45Å; T54-K56 HydrophobicContact CG2-CG 4.05Å
57P93.7Very high94.5Very high2 Ų249.1 Ų49.11%0.01329%0.286CS..  trans-63.4147.8178.726.9-34.3000111.1A2 Y4 E34 V55 S59 L61A2-P57 WeakPolarHBondContact O-CD 3.37Å; Y4-P57 HydrophobicContact CD2-CG 3.88Å; Y4-P57 HydrophobicContact CE2-CG 3.68Å; E34-P57 WeakPolarHBondContact OE2-CA 3.06Å; V55-P57 WeakPolarHBondContact O-CD 3.39Å; P57-S59 WeakPolarHBondContact CB-O 3.3Å; P57-S59 PolarHBondContact O-N 2.94Å; P57-L61 HydrophobicContact CB-CD1 4.31Å; P57-L61 HydrophobicContact CB-CD2 3.99Å; P57-L61 HydrophobicContact CB-CG 4.15Å; P57-L61 HydrophobicContact CG-CD1 4.06Å; P57-L61 HydrophobicContact CG-CD2 4.39Å; P57-L61 HydrophobicContact CG-CG 4Å
58A90.8Very high94.6Very high64 Ų6449.1 Ų49.153%0.52928%0.279SS..SBendtrans-65.2-24.6177.600000113.5E34E34-A58 WeakPolarHBondContact OE1-CB 3.41Å; E34-A58 PolarHBondContact OE2-N 2.83Å
59S89.8Confident94.7Very high90 Ų9047.2 Ų47.263%0.62926%0.26SS*.SBendtrans-131.3163.9-179.2-62.60000111.6P57P57-S59 WeakPolarHBondContact CB-O 3.3Å; P57-S59 PolarHBondContact O-N 2.94Å
60S90.6Very high94.6Very high66 Ų6643.7 Ų43.746%0.46225%0.245SC..  trans-55.2138.5166.4174.20000109.7E30 G62E30-S60 WeakPolarHBondContact OE2-CB 3.33Å; E30-S60 PolarHBondContact OE2-OG 2.82Å; S60-G62 PolarHBondContact OG-N 3.18Å; S60-G62 VanDerWaalsContact OG-N 3.11Å
61L93.6Very high94.3Very high2 Ų240 Ų401%0.0122%0.222CC..  trans-94.9-8.8171.7-54.6-178.2000111.4Y4 L26 G28 S29 E30 Q32 P57Y4-L61 HydrophobicContact CE2-CD1 3.97Å; Y4-L61 HydrophobicContact CE2-CG 4.28Å; L26-L61 HydrophobicContact CB-CD1 3.61Å; L26-L61 HydrophobicContact CD1-CD1 4.19Å; G28-L61 CarbonylContact C-O 3.57Å; G28-L61 WeakPolarHBondContact CA-O 3.43Å; S29-L61 PolarHBondContact N-O 3.46Å; E30-L61 PolarHBondContact N-O 3.36Å; Q32-L61 VanDerWaalsContact C-CD2 3.43Å; P57-L61 HydrophobicContact CB-CD1 4.31Å; P57-L61 HydrophobicContact CB-CD2 3.99Å; P57-L61 HydrophobicContact CB-CG 4.15Å; P57-L61 HydrophobicContact CG-CD1 4.06Å; P57-L61 HydrophobicContact CG-CD2 4.39Å; P57-L61 HydrophobicContact CG-CG 4Å
62G92.3Very high93.8Very high21 Ų2138.5 Ų38.522%0.21622%0.219CC..  trans61.6-141.3-167.300000111.2S60 L64S60-G62 PolarHBondContact OG-N 3.18Å; S60-G62 VanDerWaalsContact OG-N 3.11Å; G62-L64 PolarHBondContact O-N 3.42Å
63K91.8Very high92.7Very high159 Ų15938.2 Ų38.269%0.69122%0.219SC*.SBendtrans-72.9122.7178.1-176.3177.8179.7179.80110G28 S29 L65G28-K63 CarbonylContact C-O 3.52Å; G28-K63 WeakPolarHBondContact CA-O 3.24Å; S29-K63 PolarHBondContact N-O 3.48Å; S29-K63 PolarHBondContact OG-N 2.94Å; K63-L65 PolarHBondContact O-N 2.95Å
64L93.9Very high91.2Very high14 Ų1444.5 Ų44.57%0.07325%0.246CC..EExtended strand (participates in β ladder)trans-62.7133.9175.9-169.871.5000110.9L26 F27 G62 V89 I97 F99L26-L64 HydrophobicContact CB-CD1 3.9Å; F27-L64 WeakPolarHBondContact O-CD1 3.48Å; G62-L64 PolarHBondContact O-N 3.42Å; L64-V89 HydrophobicContact CD2-CB 3.75Å; L64-V89 HydrophobicContact CD2-CG1 3.66Å; L64-V89 HydrophobicContact CD2-CG2 4.17Å; L64-I97 HydrophobicContact CB-CD1 3.97Å; L64-I97 HydrophobicContact CD2-CD1 4.24Å; L64-F99 HydrophobicContact CD2-CE2 3.76Å; L64-F99 HydrophobicContact CD2-CZ 3.63Å; L64-F99 HydrophobicContact CG-CZ 4.14Å
65L94.3Very high89.8Confident20 Ų2044.3 Ų44.311%0.10525%0.248CC..EExtended strand (participates in β ladder)trans-110.9-55.7-170.5-68.8-174.6000111.9F27 K63 H126 M128 L129F27-L65 WeakPolarHBondContact O-CA 3.48Å; F27-L65 WeakPolarHBondContact O-CB 3.47Å; F27-L65 PolarHBondContact O-N 2.86Å; K63-L65 PolarHBondContact O-N 2.95Å; L65-H126 WeakPolarHBondContact CD1-CE1 3.24Å; L65-H126 WeakPolarHBondContact CD1-ND1 3.33Å; L65-M128 HydrophobicContact CD1-CB 4.48Å; L65-M128 HydrophobicContact CD1-SD 4.31Å; L65-L129 HydrophobicContact CB-CD2 3.76Å; L65-L129 HydrophobicContact CD2-CD1 4.15Å; L65-L129 HydrophobicContact CD2-CD2 4.21Å; L65-L129 HydrophobicContact CD2-CG 4.31Å; L65-L129 HydrophobicContact CG-CD2 4.38Å
66F95.7Very high88.3Confident9 Ų952.4 Ų52.44%0.03929%0.289CS..EExtended strand (participates in β ladder)trans-158.2168.7179.466-88.3000109.8F27 K68 L113 M128 L129F27-F66 HydrophobicContact CB-CD1 3.94Å; F27-F66 HydrophobicContact CB-CD2 4.12Å; F27-F66 HydrophobicContact CB-CE1 3.72Å; F27-F66 HydrophobicContact CB-CE2 3.9Å; F27-F66 HydrophobicContact CB-CG 4.12Å; F27-F66 HydrophobicContact CB-CZ 3.7Å; F27-F66 WeakPolarHBondContact CB-O 3.43Å; F27-F66 HydrophobicContact CD1-CE1 4.26Å; F27-F66 AromaticContact CD1-CE2 3.99Å; F27-F66 HydrophobicContact CD1-CE2 3.99Å; F27-F66 AromaticContact CD1-CZ 3.58Å; F27-F66 HydrophobicContact CD1-CZ 3.58Å; F27-F66 AromaticContact CD2-CD2 3.97Å; F27-F66 HydrophobicContact CD2-CD2 3.97Å; F27-F66 AromaticContact CD2-CE2 3.51Å; F27-F66 HydrophobicContact CD2-CE2 3.51Å; F27-F66 AromaticContact CD2-CZ 3.98Å; F27-F66 HydrophobicContact CD2-CZ 3.98Å; F27-F66 HydrophobicContact CE1-CE2 4.39Å; F27-F66 HydrophobicContact CE1-CZ 4.15Å; F27-F66 HydrophobicContact CE2-CE2 4.02Å; F27-F66 HydrophobicContact CG-CD2 4.1Å; F27-F66 HydrophobicContact CG-CE1 4.03Å; F27-F66 AromaticContact CG-CE2 3.51Å; F27-F66 HydrophobicContact CG-CE2 3.51Å; F27-F66 AromaticContact CG-CZ 3.46Å; F27-F66 HydrophobicContact CG-CZ 3.46Å; F27-F66 VanDerWaalsContact CG-CZ 3.46Å; F27-F66 HydrophobicContact CZ-CE2 4.43Å; F27-F66 PolarHBondContact N-O 3.34Å; F27-F66 PolarHBondContact O-N 3.44Å; F66-K68 HydrophobicContact CD2-CG 4.5Å; F66-K68 HydrophobicContact CE2-CG 4.22Å; F66-L113 WeakPolarHBondContact CA-O 3.12Å; F66-L113 VanDerWaalsContact CB-O 3.26Å; F66-L113 WeakPolarHBondContact CB-O 3.42Å; F66-M128 HydrophobicContact CE1-CB 4.16Å; F66-M128 HydrophobicContact CE1-CE 3.97Å; F66-M128 HydrophobicContact CZ-CE 4.04Å; F66-L129 HydrophobicContact CD1-CD2 4.12Å
67I97.1Very high86.8Confident0 Ų050.8 Ų50.80%029%0.289CS..EExtended strand (participates in β ladder)trans-124.1153.4175.164.8176.2000110.2V24 I25 L26 V69 I87 V89 F99 E112 L113V24-I67 HydrophobicContact CG2-CB 4.43Å; I25-I67 WeakPolarHBondContact O-CA 3.38Å; L26-I67 HydrophobicContact CD2-CB 4.37Å; L26-I67 HydrophobicContact CD2-CG2 3.51Å; I67-V69 HydrophobicContact CD1-CG2 4.15Å; I67-V69 HydrophobicContact CG1-CG2 4.36Å; I67-I87 HydrophobicContact CD1-CB 3.88Å; I67-I87 HydrophobicContact CD1-CD1 3.82Å; I67-I87 HydrophobicContact CD1-CG1 4.4Å; I67-I87 HydrophobicContact CD1-CG2 3.86Å; I67-V89 HydrophobicContact CG2-CG2 4.23Å; I67-F99 HydrophobicContact CD1-CB 3.87Å; I67-F99 HydrophobicContact CD1-CD1 4.24Å; I67-F99 HydrophobicContact CD1-CD2 4Å; I67-F99 HydrophobicContact CD1-CG 3.76Å; I67-F99 HydrophobicContact CG1-CB 4.36Å; I67-F99 HydrophobicContact CG1-CD1 3.95Å; I67-F99 HydrophobicContact CG1-CD2 4.48Å; I67-F99 HydrophobicContact CG1-CE1 4.42Å; I67-F99 HydrophobicContact CG1-CG 4Å; I67-F99 HydrophobicContact CG2-CD1 4.48Å; I67-F99 HydrophobicContact CG2-CD2 4.43Å; I67-F99 HydrophobicContact CG2-CE1 4.18Å; I67-F99 HydrophobicContact CG2-CE2 4.09Å; I67-F99 HydrophobicContact CG2-CZ 3.97Å; I67-E112 CarbonylContact O-C 3.54Å; I67-E112 WeakPolarHBondContact O-CA 3.49Å; I67-L113 HydrophobicContact CD1-CB 4.38Å; I67-L113 HydrophobicContact CD1-CD1 4.14Å; I67-L113 HydrophobicContact CG1-CB 3.79Å; I67-L113 HydrophobicContact CG1-CD1 4.3Å; I67-L113 HydrophobicContact CG1-CG 4.46Å; I67-L113 PolarHBondContact N-O 3.21Å; I67-L113 PolarHBondContact O-N 3.06Å
68K96.8Very high85.6Confident39 Ų3956.4 Ų56.417%0.1733%0.325CS..EExtended strand (participates in β ladder)trans-111.7135.3166.1-60.6-168.9-173.6-156.80109.7V24 I25 F27 F66 L110 V111 E112V24-K68 CarbonylContact C-O 3.6Å; V24-K68 VanDerWaalsContact CA-O 3.26Å; V24-K68 WeakPolarHBondContact CA-O 3.4Å; V24-K68 WeakPolarHBondContact CG2-O 3.39Å; I25-K68 HydrophobicContact CB-CB 4.29Å; I25-K68 PolarHBondContact N-O 3.48Å; I25-K68 PolarHBondContact O-N 3.14Å; F27-K68 HydrophobicContact CD2-CG 4.05Å; F27-K68 HydrophobicContact CE2-CB 4.18Å; F27-K68 HydrophobicContact CE2-CD 3.53Å; F27-K68 VanDerWaalsContact CE2-CE 3.48Å; F27-K68 HydrophobicContact CE2-CG 3.46Å; F27-K68 VanDerWaalsContact CE2-CG 3.46Å; F27-K68 HydrophobicContact CZ-CD 3.84Å; F27-K68 VanDerWaalsContact CZ-CE 3.42Å; F27-K68 HydrophobicContact CZ-CG 4.27Å; F66-K68 HydrophobicContact CD2-CG 4.5Å; F66-K68 HydrophobicContact CE2-CG 4.22Å; K68-L110 HydrophobicContact CB-CD1 3.95Å; K68-L110 HydrophobicContact CD-CD1 4.27Å; K68-L110 HydrophobicContact CD-CD2 4Å; K68-L110 HydrophobicContact CD-CG 4.24Å; K68-V111 CarbonylContact C-O 3.47Å; K68-V111 VanDerWaalsContact CA-O 3.32Å; K68-V111 WeakPolarHBondContact CA-O 3.03Å; K68-E112 HydrophobicContact CD-CG 4.28Å; K68-E112 WeakPolarHBondContact CE-OE1 3.22Å; K68-E112 HydrophobicContact CG-CG 4.07Å; K68-E112 IonicContact NZ-OE1 2.94Å; K68-E112 PolarHBondContact NZ-OE1 3.25Å
69V96.4Very high84.6Confident1 Ų158.9 Ų58.91%0.00633%0.326CS..EExtended strand (participates in β ladder)trans-121.6129.2178.7-172.30000107.7I22 Y23 I67 W82 I87 I105 V111 L113I22-V69 HydrophobicContact CG2-CG1 3.91Å; Y23-V69 WeakPolarHBondContact O-CA 3.38Å; I67-V69 HydrophobicContact CD1-CG2 4.15Å; I67-V69 HydrophobicContact CG1-CG2 4.36Å; V69-W82 HydrophobicContact CG1-CH2 4.35Å; V69-W82 HydrophobicContact CG1-CZ3 3.74Å; V69-I87 HydrophobicContact CG1-CD1 4.44Å; V69-I87 HydrophobicContact CG2-CD1 3.48Å; V69-I87 VanDerWaalsContact CG2-CD1 3.48Å; V69-I105 HydrophobicContact CB-CD1 4.5Å; V69-I105 HydrophobicContact CG1-CD1 4.13Å; V69-V111 PolarHBondContact N-O 3.33Å; V69-V111 PolarHBondContact O-N 2.67Å; V69-L113 HydrophobicContact CG2-CD1 3.89Å
70E93.8Very high84Confident43 Ų4357 Ų5720%0.20131%0.309CS..EExtended strand (participates in β ladder)trans-129.8134.9-177.1-171-179.1-169.700109.7I22 Y23 R35 L110I22-E70 WeakPolarHBondContact CA-O 3.48Å; Y23-E70 PolarHBondContact N-O 3.41Å; Y23-E70 PolarHBondContact O-N 3.15Å; R35-E70 IonicContact CZ-OE2 3.01Å; R35-E70 VanDerWaalsContact CZ-OE2 3.22Å; R35-E70 IonicContact NE-OE2 3.56Å; R35-E70 PolarHBondContact NE-OE2 2.93Å; R35-E70 IonicContact NH2-OE1 3.77Å; R35-E70 IonicContact NH2-OE2 2.98Å; R35-E70 PolarHBondContact NH2-OE2 3.3Å; E70-L110 HydrophobicContact CB-CD1 3.81Å; E70-L110 HydrophobicContact CG-CD1 4.21Å
71K90.8Very high83.9Confident0 Ų056.7 Ų56.70%030%0.3CS..EExtended strand (participates in β ladder)trans-104.2113.6173.6-173.1179.48386.20110.5D20 I22 N80 W82 I105 S106 G108D20-K71 HydrophobicContact CB-CD 4.25Å; D20-K71 HydrophobicContact CB-CG 3.86Å; D20-K71 IonicContact OD2-NZ 3.59Å; D20-K71 PolarHBondContact OD2-NZ 2.85Å; I22-K71 HydrophobicContact CD1-CB 3.86Å; I22-K71 HydrophobicContact CD1-CD 4.33Å; I22-K71 HydrophobicContact CD1-CG 3.68Å; K71-N80 VanDerWaalsContact CE-O 3.31Å; K71-N80 WeakPolarHBondContact CE-O 3.49Å; K71-N80 PolarHBondContact NZ-O 3.02Å; K71-W82 HydrophobicContact CD-CB 3.99Å; K71-I105 HydrophobicContact CB-CG2 4Å; K71-I105 WeakPolarHBondContact CE-O 3.43Å; K71-S106 WeakPolarHBondContact CE-O 3.45Å; K71-G108 PolarHBondContact O-N 3.47Å
72D85.6Confident83.9Confident39 Ų3956.6 Ų56.621%0.20930%0.299CS..EExtended strand (participates in β ladder)trans-105.8138.4178-97.811.6000111.2D20 N21 Y23 R35 F74D20-D72 WeakPolarHBondContact CB-O 3.48Å; N21-D72 HydrophobicContact CB-CB 4.17Å; N21-D72 PolarHBondContact N-O 2.83Å; N21-D72 PolarHBondContact O-N 3.36Å; Y23-D72 HydrophobicContact CD2-CB 3.94Å; Y23-D72 HydrophobicContact CE2-CB 3.59Å; Y23-D72 WeakPolarHBondContact CE2-OD2 3.43Å; R35-D72 IonicContact CZ-OD2 2.73Å; R35-D72 IonicContact NH1-OD2 3.63Å; R35-D72 PolarHBondContact NH1-OD2 2.74Å; R35-D72 IonicContact NH2-OD1 2.83Å; R35-D72 PolarHBondContact NH2-OD1 3.34Å; R35-D72 IonicContact NH2-OD2 2.79Å; R35-D72 PolarHBondContact NH2-OD2 2.86Å; D72-F74 PolarHBondContact O-N 3.47Å
73P74.8Confident84Confident52 Ų5256.5 Ų56.534%0.33829%0.293SS..  trans-60.2132.5178.627.9-36.4000111.9K107P73-K107 HydrophobicContact CB-CD 4.05Å; P73-K107 VanDerWaalsContact CB-CE 3.45Å; P73-K107 HydrophobicContact CG-CD 4.36Å; P73-K107 VanDerWaalsContact CG-CE 3.43Å
74F66.3Low84.2Confident137 Ų13749 Ų4960%0.60126%0.26SS*.SBendtrans-79-29.1168.7-179.2-98.5000112.1T19 D20 D72T19-F74 WeakPolarHBondContact O-CB 3.49Å; D20-F74 PolarHBondContact OD1-N 3.33Å; D72-F74 PolarHBondContact O-N 3.47Å
75S65.9Low84.3Confident61 Ų6149.1 Ų49.143%0.42726%0.262SS..SBendtrans-154.8-174.8-177.2-168.40000113.1T77S75-T77 PolarHBondContact O-N 3Å
76I65.4Low84.4Confident171 Ų17150.9 Ų50.988%0.87727%0.269SS*.SBendtrans-77.59.6175.4-19.3172000112.6
77T63.2Low84.5Confident76 Ų7650.4 Ų50.447%0.46627%0.267SS..SBendtrans-64.4154.2179.946.30000111.2S75S75-T77 PolarHBondContact O-N 3Å
78P68.2Low84.5Confident120 Ų12051.3 Ų51.378%0.77927%0.273SS*.PPolyproline II helixtrans-51.7147.3172.4-23.132.8000111.1N80P78-N80 PolarHBondContact O-N 2.98Å
79E69.8Low84.6Confident116 Ų11649.5 Ų49.554%0.54227%0.265SS..PPolyproline II helixtrans-58.2130.6179.6179.3168.3-157.900111.2S106 K107E79-S106 WeakPolarHBondContact OE1-CB 3.4Å; E79-K107 HydrophobicContact CG-CB 4.18Å; E79-K107 WeakPolarHBondContact OE1-CB 3.4Å; E79-K107 PolarHBondContact OE1-N 2.76Å
80N78.2Confident84.6Confident51 Ų5151.2 Ų51.227%0.27328%0.275SS..  trans-115.7134.1160.662.510.8000109.5T18 K71 P78T18-N80 PolarHBondContact OG1-OD1 3.17Å; K71-N80 VanDerWaalsContact CE-O 3.31Å; K71-N80 WeakPolarHBondContact CE-O 3.49Å; K71-N80 PolarHBondContact NZ-O 3.02Å; P78-N80 PolarHBondContact O-N 2.98Å
81E88.3Confident84.5Confident59 Ų5949.9 Ų49.928%0.27627%0.271SS..  trans-78150.3171.3-61-176.5122.800109.3W104 S106 R170E81-W104 HydrophobicContact CB-CB 4.3Å; E81-W104 HydrophobicContact CB-CD2 4.35Å; E81-W104 HydrophobicContact CB-CE3 3.56Å; E81-W104 HydrophobicContact CB-CZ3 4.25Å; E81-S106 PolarHBondContact OE1-OG 2.81Å; E81-S106 VanDerWaalsContact OE1-OG 3.09Å; E81-R170 IonicContact OE2-NH2 3.08Å
82W93Very high84.4Confident0 Ų052.6 Ų52.60%029%0.289CS..EExtended strand (participates in β ladder)trans-112.6124.5174.3172.148.8000109.8V8 T10 A16 T18 I22 F45 V69 K71 C84 W104 I105V8-W82 HydrophobicContact CG1-CH2 3.69Å; V8-W82 HydrophobicContact CG1-CZ2 3.55Å; T10-W82 PolarHBondContact OG1-NE1 2.65Å; A16-W82 VanDerWaalsContact O-CD1 3.27Å; T18-W82 HydrophobicContact CG2-CB 3.65Å; T18-W82 HydrophobicContact CG2-CD2 4.34Å; T18-W82 HydrophobicContact CG2-CG 3.63Å; I22-W82 HydrophobicContact CD1-CD2 4.13Å; I22-W82 HydrophobicContact CD1-CE3 3.55Å; I22-W82 HydrophobicContact CD1-CZ3 3.89Å; I22-W82 HydrophobicContact CG1-CE3 4.14Å; I22-W82 HydrophobicContact CG1-CZ3 4.13Å; I22-W82 HydrophobicContact CG2-CH2 4.17Å; I22-W82 HydrophobicContact CG2-CZ3 3.84Å; F45-W82 AromaticContact CD1-CZ2 3.89Å; F45-W82 HydrophobicContact CD1-CZ2 3.89Å; F45-W82 HydrophobicContact CE1-CZ2 4.45Å; V69-W82 HydrophobicContact CG1-CH2 4.35Å; V69-W82 HydrophobicContact CG1-CZ3 3.74Å; K71-W82 HydrophobicContact CD-CB 3.99Å; W82-C84 HydrophobicContact CD2-CB 4.21Å; W82-C84 HydrophobicContact CE3-CB 4.1Å; W82-C84 HydrophobicContact CH2-CB 3.56Å; W82-C84 HydrophobicContact CZ2-CB 3.66Å; W82-C84 HydrophobicContact CZ3-CB 3.8Å; W82-C84 PolarHBondContact O-N 2.9Å; W82-W104 CarbonylContact O-C 3.46Å; W82-W104 WeakPolarHBondContact O-CA 3.05Å; W82-I105 HydrophobicContact CE3-CB 4.35Å; W82-I105 HydrophobicContact CE3-CD1 3.92Å; W82-I105 HydrophobicContact CE3-CG1 4.42Å; W82-I105 HydrophobicContact CZ3-CD1 3.85Å; W82-I105 PolarHBondContact N-O 2.95Å; W82-I105 VanDerWaalsContact N-O 3.12Å; W82-I105 PolarHBondContact O-N 3.47Å
83Y94.2Very high84.4Confident20 Ų2057.2 Ų57.28%0.07831%0.31CS..EExtended strand (participates in β ladder)trans-89.6108.6173.1-170.9-85000110.6G11 M13 A16 Y102 R103 W104 E618G11-Y83 PolarHBondContact N-O 3.28Å; M13-Y83 HydrophobicContact CE-CD1 3.76Å; M13-Y83 HydrophobicContact CE-CD2 3.21Å; M13-Y83 HydrophobicContact CE-CE1 4.06Å; M13-Y83 HydrophobicContact CE-CE2 3.55Å; M13-Y83 HydrophobicContact CE-CG 3.29Å; A16-Y83 PolarHBondContact O-N 2.68Å; Y83-Y102 WeakPolarHBondContact OH-CA 3.29Å; Y83-Y102 PolarHBondContact OH-O 2.97Å; Y83-R103 WeakPolarHBondContact CA-O 3.48Å; Y83-W104 AromaticContact CD2-CD1 3.71Å; Y83-W104 AromaticContact CD2-CD2 3.91Å; Y83-W104 HydrophobicContact CD2-CD2 3.91Å; Y83-W104 AromaticContact CD2-CE2 3.78Å; Y83-W104 AromaticContact CD2-CG 3.89Å; Y83-W104 HydrophobicContact CD2-CG 3.89Å; Y83-W104 HydrophobicContact CD2-CZ2 4.45Å; Y83-W104 AromaticContact CD2-NE1 3.63Å; Y83-W104 HydrophobicContact CG-CD2 4.4Å; Y83-E618 PolarHBondContact OH-OE1 2.72Å
84C96.1Very high85Confident0 Ų057.2 Ų57.20%032%0.319CS..EExtended strand (participates in β ladder)trans-92.7117174.6178.40000109.3W82 C101 Y102 R103 I105W82-C84 HydrophobicContact CD2-CB 4.21Å; W82-C84 HydrophobicContact CE3-CB 4.1Å; W82-C84 HydrophobicContact CH2-CB 3.56Å; W82-C84 HydrophobicContact CZ2-CB 3.66Å; W82-C84 HydrophobicContact CZ3-CB 3.8Å; W82-C84 PolarHBondContact O-N 2.9Å; C84-C101 HydrophobicContact CB-CB 4.2Å; C84-C101 VanDerWaalsContact O-CB 3.3Å; C84-C101 WeakPolarHBondContact O-CB 3.27Å; C84-C101 VanDerWaalsContact SG-SG 3.68Å; C84-Y102 WeakPolarHBondContact O-CA 3.34Å; C84-Y102 PolarHBondContact O-N 2.9Å; C84-R103 PolarHBondContact N-O 2.79Å; C84-R103 PolarHBondContact O-N 2.98Å; C84-I105 HydrophobicContact CB-CD1 4.01Å
85S96.1Very high86Confident18 Ų1856.3 Ų56.313%0.12632%0.321CS..EExtended strand (participates in β ladder)trans-76-57.2176.5-61.10000111T9 G11 C101 Y102T9-S85 PolarHBondContact O-N 2.99Å; G11-S85 VanDerWaalsContact CA-OG 3.31Å; G11-S85 WeakPolarHBondContact CA-OG 3.23Å; G11-S85 PolarHBondContact N-OG 2.9Å; S85-C101 PolarHBondContact O-N 3.4Å; S85-Y102 WeakPolarHBondContact O-CD1 3.42Å; S85-Y102 PolarHBondContact O-N 2.73Å
86K96.8Very high87.3Confident56 Ų5656.5 Ų56.524%0.24333%0.325CS..EExtended strand (participates in β ladder)trans-160.3159.2-179.865.1-176.9179.2-174.20111.8T9 V98 F99T9-K86 PolarHBondContact N-O 3.42Å; K86-V98 HydrophobicContact CB-CG1 4.36Å; K86-V98 HydrophobicContact CD-CG1 4.04Å; K86-F99 WeakPolarHBondContact CA-O 3.15Å
87I97.9Very high88.6Confident0 Ų050.7 Ų50.70%030%0.296CS..EExtended strand (participates in β ladder)trans-124.4126.9171.7-58.9180000108.3E7 V8 I67 V69 V89 F99 L113E7-I87 CarbonylContact O-C 3.55Å; E7-I87 WeakPolarHBondContact O-CA 3.35Å; V8-I87 HydrophobicContact CG1-CG1 4.21Å; V8-I87 HydrophobicContact CG2-CD1 4.37Å; V8-I87 HydrophobicContact CG2-CG1 4.16Å; V8-I87 HydrophobicContact CG2-CG2 4.23Å; I67-I87 HydrophobicContact CD1-CB 3.88Å; I67-I87 HydrophobicContact CD1-CD1 3.82Å; I67-I87 HydrophobicContact CD1-CG1 4.4Å; I67-I87 HydrophobicContact CD1-CG2 3.86Å; V69-I87 HydrophobicContact CG1-CD1 4.44Å; V69-I87 HydrophobicContact CG2-CD1 3.48Å; V69-I87 VanDerWaalsContact CG2-CD1 3.48Å; I87-V89 HydrophobicContact CG2-CG2 4.13Å; I87-F99 HydrophobicContact CB-CB 4.43Å; I87-F99 PolarHBondContact N-O 3.39Å; I87-F99 WeakPolarHBondContact O-CB 3.19Å; I87-F99 PolarHBondContact O-N 3.05Å; I87-L113 HydrophobicContact CD1-CD1 4.36Å
88V97.6Very high90.2Very high19 Ų1948.6 Ų48.612%0.11528%0.283CS..EExtended strand (participates in β ladder)trans-104.7123.2173.1-172.10000108.5L6 E7 A96 I97 V98L6-V88 CarbonylContact C-O 3.54Å; L6-V88 VanDerWaalsContact CA-O 3.32Å; L6-V88 WeakPolarHBondContact CA-O 3.49Å; E7-V88 HydrophobicContact CB-CB 4.21Å; E7-V88 PolarHBondContact N-O 2.67Å; E7-V88 PolarHBondContact O-N 3.08Å; V88-A96 HydrophobicContact CG1-CB 4.14Å; V88-I97 WeakPolarHBondContact CA-O 3.37Å; V88-V98 HydrophobicContact CG1-CG2 4.31Å; V88-V98 HydrophobicContact CG2-CG1 4.34Å; V88-V98 HydrophobicContact CG2-CG2 4.07Å
89V97.4Very high91.6Very high1 Ų143 Ų431%0.00625%0.246CC..EExtended strand (participates in β ladder)trans-108.8115.4177.4-170.70000108.5Y4 K5 L6 L26 L64 I67 I87 A96 I97 F99Y4-V89 HydrophobicContact CD1-CG1 3.93Å; K5-V89 CarbonylContact O-C 3.57Å; K5-V89 WeakPolarHBondContact O-CA 3.39Å; L6-V89 HydrophobicContact CD1-CG1 4.18Å; L6-V89 HydrophobicContact CG-CG1 4.45Å; L6-V89 HydrophobicContact CG-CG2 4.19Å; L26-V89 HydrophobicContact CD1-CG1 4.48Å; L26-V89 HydrophobicContact CD2-CG1 4.44Å; L26-V89 HydrophobicContact CD2-CG2 4.41Å; L64-V89 HydrophobicContact CD2-CB 3.75Å; L64-V89 HydrophobicContact CD2-CG1 3.66Å; L64-V89 HydrophobicContact CD2-CG2 4.17Å; I67-V89 HydrophobicContact CG2-CG2 4.23Å; I87-V89 HydrophobicContact CG2-CG2 4.13Å; V89-A96 WeakPolarHBondContact O-CA 3.45Å; V89-I97 PolarHBondContact N-O 3.41Å; V89-I97 PolarHBondContact O-N 3.41Å; V89-F99 HydrophobicContact CB-CD2 4.47Å; V89-F99 HydrophobicContact CB-CE2 3.93Å; V89-F99 HydrophobicContact CG2-CD2 3.74Å; V89-F99 HydrophobicContact CG2-CE2 3.51Å
90T96.8Very high92.8Very high36 Ų3638.2 Ų38.222%0.22123%0.226CC..EExtended strand (participates in β ladder)trans-92.9118.4170.5-46.40000108.7Y4 K5 D95Y4-T90 WeakPolarHBondContact CA-O 3.44Å; K5-T90 PolarHBondContact N-O 3.01Å; K5-T90 PolarHBondContact O-N 2.86Å; T90-D95 CarbonylContact C-O 3.12Å; T90-D95 WeakPolarHBondContact CA-O 3.38Å
91A92.4Very high93.6Very high15 Ų1536.5 Ų36.512%0.12422%0.217CC..  trans-72.5160.4176.300000111.1Y4 E93 G94 D95Y4-A91 HydrophobicContact CD1-CB 4.31Å; Y4-A91 HydrophobicContact CE1-CB 3.96Å; A91-E93 VanDerWaalsContact CB-OE2 3.26Å; A91-E93 WeakPolarHBondContact CB-OE2 3.47Å; A91-E93 PolarHBondContact O-N 3.38Å; A91-E93 VanDerWaalsContact O-N 3.11Å; A91-G94 PolarHBondContact O-N 2.77Å; A91-D95 PolarHBondContact N-O 3.04Å
92P88.4Confident93.8Very high58 Ų5834.8 Ų34.838%0.37721%0.208SC..THydrogen-bonded Turntrans-55-29.3178.3-21.427.9000113.8A2 Y4 G94A2-P92 HydrophobicContact CB-CB 4.47Å; A2-P92 HydrophobicContact CB-CG 3.57Å; Y4-P92 HydrophobicContact CD2-CG 4.31Å; Y4-P92 HydrophobicContact CE2-CG 3.93Å; P92-G94 PolarHBondContact O-N 3.27Å
93E86.5Confident93.8Very high136 Ų13637.5 Ų37.564%0.63622%0.218SC*.THydrogen-bonded Turntrans-76.8-9.1-179.9-55.173.6-155.400112.7A91A91-E93 VanDerWaalsContact CB-OE2 3.26Å; A91-E93 WeakPolarHBondContact CB-OE2 3.47Å; A91-E93 PolarHBondContact O-N 3.38Å; A91-E93 VanDerWaalsContact O-N 3.11Å
94G85.9Confident93.7Very high52 Ų5238.6 Ų38.654%0.53622%0.223SC..SBendtrans99.6-9.2179.200000114.6A91 P92 A96A91-G94 PolarHBondContact O-N 2.77Å; P92-G94 PolarHBondContact O-N 3.27Å; G94-A96 PolarHBondContact O-N 3.12Å
95D87.9Confident93.5Very high118 Ų11838.6 Ų38.663%0.63122%0.223SC*.  trans-69126.9177.3-71.1-28.2000111T90 A91T90-D95 CarbonylContact C-O 3.12Å; T90-D95 WeakPolarHBondContact CA-O 3.38Å; A91-D95 PolarHBondContact N-O 3.04Å
96A93Very high93.1Very high64 Ų6439.4 Ų39.453%0.52923%0.228SC..EExtended strand (participates in β ladder)trans-104.7130.5176.900000111.1V88 V89 G94V88-A96 HydrophobicContact CG1-CB 4.14Å; V89-A96 WeakPolarHBondContact O-CA 3.45Å; G94-A96 PolarHBondContact O-N 3.12Å
97I93.9Very high92.5Very high50 Ų5041.2 Ų41.226%0.25624%0.236SC..EExtended strand (participates in β ladder)trans-116.9126.7175.4-55.1177000108.1L64 V88 V89 F99L64-I97 HydrophobicContact CB-CD1 3.97Å; L64-I97 HydrophobicContact CD2-CD1 4.24Å; V88-I97 WeakPolarHBondContact CA-O 3.37Å; V89-I97 PolarHBondContact N-O 3.41Å; V89-I97 PolarHBondContact O-N 3.41Å; I97-F99 HydrophobicContact CB-CE2 3.8Å; I97-F99 HydrophobicContact CB-CZ 4.13Å; I97-F99 HydrophobicContact CG2-CD2 4.25Å; I97-F99 HydrophobicContact CG2-CE1 4.23Å; I97-F99 HydrophobicContact CG2-CE2 3.6Å; I97-F99 HydrophobicContact CG2-CZ 3.59Å
98V95.5Very high91.8Very high32 Ų3243.5 Ų43.519%0.19426%0.26CS..EExtended strand (participates in β ladder)trans-90.4135.2173.7-176.30000108.3K86 V88 P100 G115 G116 D622K86-V98 HydrophobicContact CB-CG1 4.36Å; K86-V98 HydrophobicContact CD-CG1 4.04Å; V88-V98 HydrophobicContact CG1-CG2 4.31Å; V88-V98 HydrophobicContact CG2-CG1 4.34Å; V88-V98 HydrophobicContact CG2-CG2 4.07Å; V98-P100 WeakPolarHBondContact O-CD 3.42Å; V98-G115 CarbonylContact O-C 3.57Å; V98-G115 VanDerWaalsContact O-CA 3.23Å; V98-G115 WeakPolarHBondContact O-CA 3.45Å; V98-G116 PolarHBondContact O-N 3.32Å; V98-D622 VanDerWaalsContact CB-OD1 3.3Å; V98-D622 WeakPolarHBondContact CB-OD1 3.16Å; V98-D622 WeakPolarHBondContact CB-OD2 3.49Å
99F96.9Very high91.2Very high1 Ų145 Ų450%0.00427%0.265CS..EExtended strand (participates in β ladder)trans-113.793173.8-64.3-89.9000107.8L64 I67 K86 I87 V89 I97 C101 L113 R114L64-F99 HydrophobicContact CD2-CE2 3.76Å; L64-F99 HydrophobicContact CD2-CZ 3.63Å; L64-F99 HydrophobicContact CG-CZ 4.14Å; I67-F99 HydrophobicContact CD1-CB 3.87Å; I67-F99 HydrophobicContact CD1-CD1 4.24Å; I67-F99 HydrophobicContact CD1-CD2 4Å; I67-F99 HydrophobicContact CD1-CG 3.76Å; I67-F99 HydrophobicContact CG1-CB 4.36Å; I67-F99 HydrophobicContact CG1-CD1 3.95Å; I67-F99 HydrophobicContact CG1-CD2 4.48Å; I67-F99 HydrophobicContact CG1-CE1 4.42Å; I67-F99 HydrophobicContact CG1-CG 4Å; I67-F99 HydrophobicContact CG2-CD1 4.48Å; I67-F99 HydrophobicContact CG2-CD2 4.43Å; I67-F99 HydrophobicContact CG2-CE1 4.18Å; I67-F99 HydrophobicContact CG2-CE2 4.09Å; I67-F99 HydrophobicContact CG2-CZ 3.97Å; K86-F99 WeakPolarHBondContact CA-O 3.15Å; I87-F99 HydrophobicContact CB-CB 4.43Å; I87-F99 PolarHBondContact N-O 3.39Å; I87-F99 WeakPolarHBondContact O-CB 3.19Å; I87-F99 PolarHBondContact O-N 3.05Å; V89-F99 HydrophobicContact CB-CD2 4.47Å; V89-F99 HydrophobicContact CB-CE2 3.93Å; V89-F99 HydrophobicContact CG2-CD2 3.74Å; V89-F99 HydrophobicContact CG2-CE2 3.51Å; I97-F99 HydrophobicContact CB-CE2 3.8Å; I97-F99 HydrophobicContact CB-CZ 4.13Å; I97-F99 HydrophobicContact CG2-CD2 4.25Å; I97-F99 HydrophobicContact CG2-CE1 4.23Å; I97-F99 HydrophobicContact CG2-CE2 3.6Å; I97-F99 HydrophobicContact CG2-CZ 3.59Å; F99-C101 PolarHBondContact O-N 2.9Å; F99-L113 HydrophobicContact CB-CB 4.12Å; F99-L113 HydrophobicContact CB-CD1 4.46Å; F99-L113 HydrophobicContact CD1-CB 4.29Å; F99-L113 WeakPolarHBondContact CD1-O 3.47Å; F99-R114 WeakPolarHBondContact CD1-O 3.47Å
100P95.8Very high90.8Very high17 Ų1748.9 Ų48.911%0.1129%0.285CS..EExtended strand (participates in β ladder)trans-56.5133170.4-2637000110.4V98 Y102V98-P100 WeakPolarHBondContact O-CD 3.42Å; P100-Y102 HydrophobicContact CB-CD2 3.98Å; P100-Y102 HydrophobicContact CB-CE2 3.81Å
101C94.6Very high90.6Very high14 Ų1447.3 Ų47.310%0.09528%0.276CS..EExtended strand (participates in β ladder)trans-122-56.3-179.3-172.90000110.3C84 S85 F99 R103 L113C84-C101 HydrophobicContact CB-CB 4.2Å; C84-C101 VanDerWaalsContact O-CB 3.3Å; C84-C101 WeakPolarHBondContact O-CB 3.27Å; C84-C101 VanDerWaalsContact SG-SG 3.68Å; S85-C101 PolarHBondContact O-N 3.4Å; F99-C101 PolarHBondContact O-N 2.9Å; C101-R103 WeakPolarHBondContact O-CG 3.44Å; C101-R103 PolarHBondContact O-N 3.1Å; C101-R103 VanDerWaalsContact O-N 3.1Å; C101-R103 VanDerWaalsContact SG-CG 3.55Å; C101-L113 HydrophobicContact CB-CD1 3.78Å; C101-L113 HydrophobicContact CB-CD2 4.02Å
102Y93.4Very high90.7Very high24 Ų2449.8 Ų49.89%0.09429%0.285CS..EExtended strand (participates in β ladder)trans43.243.2175.6-59.1-65.6000114.4Y83 C84 S85 P100 E618 E619 H620Y83-Y102 WeakPolarHBondContact OH-CA 3.29Å; Y83-Y102 PolarHBondContact OH-O 2.97Å; C84-Y102 WeakPolarHBondContact O-CA 3.34Å; C84-Y102 PolarHBondContact O-N 2.9Å; S85-Y102 WeakPolarHBondContact O-CD1 3.42Å; S85-Y102 PolarHBondContact O-N 2.73Å; P100-Y102 HydrophobicContact CB-CD2 3.98Å; P100-Y102 HydrophobicContact CB-CE2 3.81Å; Y102-E618 HydrophobicContact CD1-CB 3.77Å; Y102-E618 HydrophobicContact CD1-CG 3.59Å; Y102-E618 HydrophobicContact CD2-CB 3.94Å; Y102-E618 HydrophobicContact CE1-CB 3.98Å; Y102-E618 HydrophobicContact CE1-CG 4.12Å; Y102-E618 HydrophobicContact CE2-CB 4.13Å; Y102-E618 HydrophobicContact CG-CB 3.76Å; Y102-E618 HydrophobicContact CG-CG 3.83Å; Y102-E619 WeakPolarHBondContact CE2-O 3.26Å; Y102-E619 VanDerWaalsContact CZ-N 3.33Å; Y102-E619 PolarHBondContact OH-N 3.21Å; Y102-H620 AromaticContact CD2-CE1 3.66Å; Y102-H620 AromaticContact CD2-NE2 3.98Å
103R92.1Very high91.1Very high56 Ų5647.5 Ų47.521%0.21127%0.27CS..EExtended strand (participates in β ladder)trans-147.2157.8-177.266.8-177.8-57.5-147.4-8.2114Y83 C84 C101 I105 E109 E168Y83-R103 WeakPolarHBondContact CA-O 3.48Å; C84-R103 PolarHBondContact N-O 2.79Å; C84-R103 PolarHBondContact O-N 2.98Å; C101-R103 WeakPolarHBondContact O-CG 3.44Å; C101-R103 PolarHBondContact O-N 3.1Å; C101-R103 VanDerWaalsContact O-N 3.1Å; C101-R103 VanDerWaalsContact SG-CG 3.55Å; R103-I105 HydrophobicContact CG-CG1 4.48Å; R103-E109 IonicContact CZ-OE1 2.61Å; R103-E109 VanDerWaalsContact CZ-OE1 3.31Å; R103-E109 IonicContact NH1-OE1 3.71Å; R103-E109 PolarHBondContact NH1-OE1 3.33Å; R103-E109 IonicContact NH2-OE1 3.05Å; R103-E109 PolarHBondContact NH2-OE1 3.3Å; R103-E168 HydrophobicContact CB-CG 3.38Å; R103-E168 WeakPolarHBondContact CB-OE1 3.18Å; R103-E168 IonicContact CZ-OE1 2.61Å; R103-E168 IonicContact NE-OE1 3.81Å; R103-E168 PolarHBondContact NE-OE1 3.43Å; R103-E168 IonicContact NH2-OE1 3.79Å; R103-E168 PolarHBondContact NH2-OE1 3.49Å
104W91.8Very high91.4Very high44 Ų4442 Ų4217%0.16724%0.243CC..EExtended strand (participates in β ladder)trans-77.1136.3167.7-63.494.5000109.5M13 H15 A16 E81 W82 Y83 A167M13-W104 HydrophobicContact CE-CH2 4.18Å; M13-W104 HydrophobicContact CE-CZ2 3.41Å; M13-W104 VanDerWaalsContact CE-CZ2 3.41Å; H15-W104 WeakPolarHBondContact O-CZ3 3.38Å; A16-W104 HydrophobicContact CB-CH2 4.39Å; E81-W104 HydrophobicContact CB-CB 4.3Å; E81-W104 HydrophobicContact CB-CD2 4.35Å; E81-W104 HydrophobicContact CB-CE3 3.56Å; E81-W104 HydrophobicContact CB-CZ3 4.25Å; W82-W104 CarbonylContact O-C 3.46Å; W82-W104 WeakPolarHBondContact O-CA 3.05Å; Y83-W104 AromaticContact CD2-CD1 3.71Å; Y83-W104 AromaticContact CD2-CD2 3.91Å; Y83-W104 HydrophobicContact CD2-CD2 3.91Å; Y83-W104 AromaticContact CD2-CE2 3.78Å; Y83-W104 AromaticContact CD2-CG 3.89Å; Y83-W104 HydrophobicContact CD2-CG 3.89Å; Y83-W104 HydrophobicContact CD2-CZ2 4.45Å; Y83-W104 AromaticContact CD2-NE1 3.63Å; Y83-W104 HydrophobicContact CG-CD2 4.4Å; W104-A167 HydrophobicContact CB-CB 3.73Å; W104-A167 HydrophobicContact CG-CB 3.91Å
105I91.9Very high91.7Very high0 Ų040.2 Ų40.20%023%0.225CC..EExtended strand (participates in β ladder)trans-115115.3177.5-54.5-172.3000107.7V69 K71 W82 C84 R103 E109 V111V69-I105 HydrophobicContact CB-CD1 4.5Å; V69-I105 HydrophobicContact CG1-CD1 4.13Å; K71-I105 HydrophobicContact CB-CG2 4Å; K71-I105 WeakPolarHBondContact CE-O 3.43Å; W82-I105 HydrophobicContact CE3-CB 4.35Å; W82-I105 HydrophobicContact CE3-CD1 3.92Å; W82-I105 HydrophobicContact CE3-CG1 4.42Å; W82-I105 HydrophobicContact CZ3-CD1 3.85Å; W82-I105 PolarHBondContact N-O 2.95Å; W82-I105 VanDerWaalsContact N-O 3.12Å; W82-I105 PolarHBondContact O-N 3.47Å; C84-I105 HydrophobicContact CB-CD1 4.01Å; R103-I105 HydrophobicContact CG-CG1 4.48Å; I105-E109 HydrophobicContact CG2-CB 4.18Å; I105-V111 HydrophobicContact CD1-CB 4.28Å; I105-V111 HydrophobicContact CD1-CG2 3.96Å; I105-V111 HydrophobicContact CG1-CG2 3.97Å; I105-V111 HydrophobicContact CG2-CG2 4.02Å
106S88.8Confident91.9Very high34 Ų3434.6 Ų34.624%0.23819%0.194CC..  trans-81.1169.2179.8-49.70000111.3K71 E79 E81 G108 E109K71-S106 WeakPolarHBondContact CE-O 3.45Å; E79-S106 WeakPolarHBondContact OE1-CB 3.4Å; E81-S106 PolarHBondContact OE1-OG 2.81Å; E81-S106 VanDerWaalsContact OE1-OG 3.09Å; S106-G108 PolarHBondContact O-N 3.04Å; S106-E109 PolarHBondContact N-OE2 3.27Å; S106-E109 WeakPolarHBondContact O-CB 3.39Å; S106-E109 PolarHBondContact O-N 3.13Å
107K84.8Confident91.9Very high95 Ų9538 Ų3841%0.41320%0.197SC..THydrogen-bonded Turntrans-65.9129.5-178.9178176.6164.51670111.2P73 E79 E109P73-K107 HydrophobicContact CB-CD 4.05Å; P73-K107 VanDerWaalsContact CB-CE 3.45Å; P73-K107 HydrophobicContact CG-CD 4.36Å; P73-K107 VanDerWaalsContact CG-CE 3.43Å; E79-K107 HydrophobicContact CG-CB 4.18Å; E79-K107 WeakPolarHBondContact OE1-CB 3.4Å; E79-K107 PolarHBondContact OE1-N 2.76Å; K107-E109 PolarHBondContact O-N 3.28Å
108G81.9Confident92Very high48 Ų4835.9 Ų35.950%0.49519%0.188SC..THydrogen-bonded Turntrans72.64-178.200000113.9K71 S106K71-G108 PolarHBondContact O-N 3.47Å; S106-G108 PolarHBondContact O-N 3.04Å
109E86.1Confident92Very high51 Ų5135.7 Ų35.724%0.23819%0.187CC..  trans-74.1130.7173.4-169-177.9-177.300109.9R103 I105 S106 K107 V111R103-E109 IonicContact CZ-OE1 2.61Å; R103-E109 VanDerWaalsContact CZ-OE1 3.31Å; R103-E109 IonicContact NH1-OE1 3.71Å; R103-E109 PolarHBondContact NH1-OE1 3.33Å; R103-E109 IonicContact NH2-OE1 3.05Å; R103-E109 PolarHBondContact NH2-OE1 3.3Å; I105-E109 HydrophobicContact CG2-CB 4.18Å; S106-E109 PolarHBondContact N-OE2 3.27Å; S106-E109 WeakPolarHBondContact O-CB 3.39Å; S106-E109 PolarHBondContact O-N 3.13Å; K107-E109 PolarHBondContact O-N 3.28Å; E109-V111 HydrophobicContact CG-CG2 3.94Å
110L88.8Confident91.9Very high81 Ų8137.2 Ų37.242%0.42419%0.194SC..EExtended strand (participates in β ladder)trans-104.7106.8174.1-17569.2000108.8K68 E70K68-L110 HydrophobicContact CB-CD1 3.95Å; K68-L110 HydrophobicContact CD-CD1 4.27Å; K68-L110 HydrophobicContact CD-CD2 4Å; K68-L110 HydrophobicContact CD-CG 4.24Å; E70-L110 HydrophobicContact CB-CD1 3.81Å; E70-L110 HydrophobicContact CG-CD1 4.21Å
111V92.6Very high91.7Very high3 Ų339 Ų392%0.01820%0.2CC..EExtended strand (participates in β ladder)trans-98.6121.4-177.61800000109.9K68 V69 I105 E109 L113K68-V111 CarbonylContact C-O 3.47Å; K68-V111 VanDerWaalsContact CA-O 3.32Å; K68-V111 WeakPolarHBondContact CA-O 3.03Å; V69-V111 PolarHBondContact N-O 3.33Å; V69-V111 PolarHBondContact O-N 2.67Å; I105-V111 HydrophobicContact CD1-CB 4.28Å; I105-V111 HydrophobicContact CD1-CG2 3.96Å; I105-V111 HydrophobicContact CG1-CG2 3.97Å; I105-V111 HydrophobicContact CG2-CG2 4.02Å; E109-V111 HydrophobicContact CG-CG2 3.94Å; V111-L113 HydrophobicContact CG1-CD2 3.56Å; V111-L113 HydrophobicContact CG1-CG 3.98Å
112E94.9Very high91.4Very high67 Ų6743.1 Ų43.131%0.31322%0.22SC..EExtended strand (participates in β ladder)trans-91.7125.8171.7-47.7-16515600109.4I67 K68 H132I67-E112 CarbonylContact O-C 3.54Å; I67-E112 WeakPolarHBondContact O-CA 3.49Å; K68-E112 HydrophobicContact CD-CG 4.28Å; K68-E112 WeakPolarHBondContact CE-OE1 3.22Å; K68-E112 HydrophobicContact CG-CG 4.07Å; K68-E112 IonicContact NZ-OE1 2.94Å; K68-E112 PolarHBondContact NZ-OE1 3.25Å; E112-H132 WeakPolarHBondContact CB-NE2 3.33Å; E112-H132 IonicContact OE2-CD2 3.41Å; E112-H132 PolarHBondContact OE2-CD2 2.82Å; E112-H132 IonicContact OE2-CG 3.07Å; E112-H132 IonicContact OE2-NE2 2.73Å
113L95.1Very high91.3Very high11 Ų1144.8 Ų44.86%0.05824%0.239CC..EExtended strand (participates in β ladder)trans-119.4133.9-177.7-58.5175.5000111.2F66 I67 V69 I87 F99 C101 V111F66-L113 WeakPolarHBondContact CA-O 3.12Å; F66-L113 VanDerWaalsContact CB-O 3.26Å; F66-L113 WeakPolarHBondContact CB-O 3.42Å; I67-L113 HydrophobicContact CD1-CB 4.38Å; I67-L113 HydrophobicContact CD1-CD1 4.14Å; I67-L113 HydrophobicContact CG1-CB 3.79Å; I67-L113 HydrophobicContact CG1-CD1 4.3Å; I67-L113 HydrophobicContact CG1-CG 4.46Å; I67-L113 PolarHBondContact N-O 3.21Å; I67-L113 PolarHBondContact O-N 3.06Å; V69-L113 HydrophobicContact CG2-CD1 3.89Å; I87-L113 HydrophobicContact CD1-CD1 4.36Å; F99-L113 HydrophobicContact CB-CB 4.12Å; F99-L113 HydrophobicContact CB-CD1 4.46Å; F99-L113 HydrophobicContact CD1-CB 4.29Å; F99-L113 WeakPolarHBondContact CD1-O 3.47Å; C101-L113 HydrophobicContact CB-CD1 3.78Å; C101-L113 HydrophobicContact CB-CD2 4.02Å; V111-L113 HydrophobicContact CG1-CD2 3.56Å; V111-L113 HydrophobicContact CG1-CG 3.98Å
114R94.4Very high91.3Very high19 Ų1942.7 Ų42.77%0.07223%0.232CC..EExtended strand (participates in β ladder)trans-100.3160.3175-60.4-65.8-62.6-95.1-16.4110.4F99 E124 L129 H132 I389F99-R114 WeakPolarHBondContact CD1-O 3.47Å; R114-E124 IonicContact CZ-OE1 3.12Å; R114-E124 IonicContact NH1-OE1 3.37Å; R114-E124 IonicContact NH2-OE1 2.76Å; R114-E124 PolarHBondContact NH2-OE1 2.98Å; R114-E124 IonicContact NH2-OE2 2.82Å; R114-L129 PolarHBondContact NH1-O 3.18Å; R114-H132 VanDerWaalsContact CG-CE1 3.41Å; R114-H132 WeakPolarHBondContact CG-CE1 3.39Å; R114-I389 HydrophobicContact CB-CB 4.32Å; R114-I389 HydrophobicContact CB-CD1 3.78Å; R114-I389 HydrophobicContact CB-CG1 4.24Å; R114-I389 HydrophobicContact CG-CB 4.48Å
115G91.9Very high91Very high15 Ų1549.1 Ų49.116%0.15526%0.263CS..  trans-60159.9175.700000112.5V98 K117 I389V98-G115 CarbonylContact O-C 3.57Å; V98-G115 VanDerWaalsContact O-CA 3.23Å; V98-G115 WeakPolarHBondContact O-CA 3.45Å; G115-K117 VanDerWaalsContact C-N 3.31Å; G115-K117 PolarHBondContact O-N 3.48Å; G115-I389 WeakPolarHBondContact O-CD1 3.49Å
116G91.1Very high91.1Very high0 Ų051.4 Ų51.40%027%0.274CS..SBendtrans-74.2-18.3-177.100000114.7V98 G118 K394 H620 D622V98-G116 PolarHBondContact O-N 3.32Å; G116-G118 PolarHBondContact O-N 3.21Å; G116-K394 WeakPolarHBondContact O-CE 3.4Å; G116-K394 PolarHBondContact O-NZ 3.09Å; G116-H620 VanDerWaalsContact O-O 3.1Å; G116-D622 VanDerWaalsContact CA-CG 3.41Å; G116-D622 WeakPolarHBondContact CA-OD2 3.26Å; G116-D622 PolarHBondContact N-OD2 2.64Å
117K94.2Very high91.4Very high135 Ų13554.3 Ų54.359%0.58729%0.292SS*.SBendtrans-62.4124.7174.6-174.5179.1-179.5177.20111.7G115 I389 E623G115-K117 VanDerWaalsContact C-N 3.31Å; G115-K117 PolarHBondContact O-N 3.48Å; K117-I389 WeakPolarHBondContact O-CD1 3.42Å; K117-E623 WeakPolarHBondContact CA-OE1 3.4Å; K117-E623 HydrophobicContact CG-CG 4.16Å; K117-E623 WeakPolarHBondContact CG-OE1 3.37Å
118G95.1Very high91.8Very high6 Ų653 Ų536%0.06229%0.288CS..  trans-65.4135.9176.400000112.8G116 I389 E623G116-G118 PolarHBondContact O-N 3.21Å; G118-I389 CarbonylContact C-O 3.58Å; G118-I389 WeakPolarHBondContact CA-O 3.41Å; G118-E623 PolarHBondContact N-OE1 3.26Å
119V95.4Very high92.5Very high28 Ų2851.7 Ų51.717%0.1727%0.27CS..  trans-135.7122.2-178.3-173.50000111.3A123 R133 I389V119-A123 HydrophobicContact CG1-CB 3.98Å; V119-R133 PolarHBondContact O-NH1 2.95Å; V119-R133 PolarHBondContact O-NH2 3.34Å; V119-I389 HydrophobicContact CB-CG1 4Å; V119-I389 HydrophobicContact CG2-CD1 4.47Å; V119-I389 HydrophobicContact CG2-CG1 4.08Å; V119-I389 PolarHBondContact N-O 2.75Å
120K94.4Very high92.9Very high34 Ų3451.3 Ų51.315%0.14827%0.269CS..  trans-73.4155.9171.1-59-175.6-61.3-171.50110.9L122 A123 P391 Y488 Y489 D494K120-L122 VanDerWaalsContact C-N 3.3Å; K120-L122 PolarHBondContact O-N 3.15Å; K120-A123 PolarHBondContact O-N 2.97Å; K120-A123 VanDerWaalsContact O-N 3.07Å; K120-P391 HydrophobicContact CG-CG 4.28Å; K120-Y488 WeakPolarHBondContact CE-O 3.35Å; K120-Y488 PolarHBondContact NZ-O 3.41Å; K120-Y489 HydrophobicContact CD-CD1 4.18Å; K120-Y489 HydrophobicContact CD-CE1 3.83Å; K120-Y489 HydrophobicContact CD-CE2 4.46Å; K120-D494 IonicContact NZ-OD2 2.71Å; K120-D494 PolarHBondContact NZ-OD2 2.99Å
121F92.1Very high93.2Very high54 Ų5452.4 Ų52.424%0.23728%0.275CS..G310 helixtrans-53.1-44.5-179.4176.5-99.3000113.3A123 E124 L130 I499F121-A123 VanDerWaalsContact C-N 3.25Å; F121-A123 PolarHBondContact O-N 3.2Å; F121-E124 VanDerWaalsContact O-CB 3.23Å; F121-E124 WeakPolarHBondContact O-CB 3.43Å; F121-E124 PolarHBondContact O-N 2.74Å; F121-L130 HydrophobicContact CD2-CD2 4.48Å; F121-L130 HydrophobicContact CE2-CD2 3.93Å; F121-L130 HydrophobicContact CZ-CD2 4.38Å; F121-I499 HydrophobicContact CD1-CD1 4.16Å; F121-I499 HydrophobicContact CD1-CG1 4.37Å; F121-I499 HydrophobicContact CE1-CD1 4.13Å; F121-I499 HydrophobicContact CG-CD1 4.45Å; F121-I499 HydrophobicContact CZ-CD1 4.4Å
122L89.6Confident93.3Very high101 Ų10152.6 Ų52.653%0.52928%0.276SS..G310 helixtrans-71.4-17.4-177.2-63.1170.4000114.3K120 E124 K497K120-L122 VanDerWaalsContact C-N 3.3Å; K120-L122 PolarHBondContact O-N 3.15Å; L122-E124 VanDerWaalsContact C-N 3.27Å; L122-K497 HydrophobicContact CD1-CB 3.54Å; L122-K497 HydrophobicContact CD1-CD 4.25Å
123A90.9Very high93.4Very high58 Ų5849.5 Ų49.548%0.47926%0.261SS..G310 helixtrans-87.91176.300000112.3V119 K120 F121V119-A123 HydrophobicContact CG1-CB 3.98Å; K120-A123 PolarHBondContact O-N 2.97Å; K120-A123 VanDerWaalsContact O-N 3.07Å; F121-A123 VanDerWaalsContact C-N 3.25Å; F121-A123 PolarHBondContact O-N 3.2Å
124E91.4Very high93.5Very high13 Ų1354.7 Ų54.76%0.06128%0.284CS..  trans-93.599.9-176.4-161.9104-108.600110.8R114 F121 L122 L129 L130 R133R114-E124 IonicContact CZ-OE1 3.12Å; R114-E124 IonicContact NH1-OE1 3.37Å; R114-E124 IonicContact NH2-OE1 2.76Å; R114-E124 PolarHBondContact NH2-OE1 2.98Å; R114-E124 IonicContact NH2-OE2 2.82Å; F121-E124 VanDerWaalsContact O-CB 3.23Å; F121-E124 WeakPolarHBondContact O-CB 3.43Å; F121-E124 PolarHBondContact O-N 2.74Å; L122-E124 VanDerWaalsContact C-N 3.27Å; E124-L129 HydrophobicContact CG-CB 3.81Å; E124-L129 VanDerWaalsContact OE1-CB 3.26Å; E124-L129 WeakPolarHBondContact OE1-CB 3.18Å; E124-L129 WeakPolarHBondContact OE1-CD1 3.43Å; E124-L130 HydrophobicContact CB-CD2 3.83Å; E124-L130 HydrophobicContact CB-CG 4.37Å; E124-L130 HydrophobicContact CG-CD2 3.79Å; E124-L130 HydrophobicContact CG-CG 3.93Å; E124-R133 WeakPolarHBondContact OE2-CD 3.33Å; E124-R133 IonicContact OE2-CZ 3.39Å; E124-R133 IonicContact OE2-NH1 2.78Å; E124-R133 PolarHBondContact OE2-NH1 2.73Å
125E86Confident93.5Very high178 Ų17856.8 Ų56.883%0.83230%0.298SS*.  trans-94.7-26.7-172.8-62.5-179.9170.300113.8
126H94.3Very high93.7Very high49 Ų4957.3 Ų57.323%0.22730%0.297CS..  trans-88.3129.2-171.4-166.5-82.2000112.3L65 M128 L129 L130L65-H126 WeakPolarHBondContact CD1-CE1 3.24Å; L65-H126 WeakPolarHBondContact CD1-ND1 3.33Å; H126-M128 VanDerWaalsContact C-N 3.3Å; H126-M128 PolarHBondContact ND1-N 3.33Å; H126-M128 PolarHBondContact O-N 3.19Å; H126-M128 VanDerWaalsContact O-N 3.15Å; H126-L129 HydrophobicContact CB-CB 4.42Å; H126-L129 HydrophobicContact CB-CD1 3.84Å; H126-L129 HydrophobicContact CB-CG 3.89Å; H126-L129 WeakPolarHBondContact O-CB 3.03Å; H126-L129 PolarHBondContact O-N 2.83Å; H126-L130 PolarHBondContact O-N 2.73Å; H126-L130 VanDerWaalsContact O-N 3.13Å
127P94.4Very high94Very high94 Ų9458.2 Ų58.261%0.6130%0.301SS*.Hα-helixtrans-55.4-37.7-175.6-28.835.2000115L129 L130 N131P127-L129 VanDerWaalsContact C-N 3.34Å; P127-L129 PolarHBondContact O-N 2.89Å; P127-L130 PolarHBondContact O-N 3.05Å; P127-N131 WeakPolarHBondContact O-CB 3.44Å; P127-N131 PolarHBondContact O-N 3.12Å
128M94.4Very high94.2Very high69 Ų6960.6 Ų60.634%0.3431%0.307SS..Hα-helixtrans-66.2-36.2177.6-62.1177.470.600112.5F27 L65 F66 H126 N131 H132F27-M128 HydrophobicContact CD1-CE 3.55Å; F27-M128 HydrophobicContact CE1-CE 4.22Å; F27-M128 HydrophobicContact CG-CE 4.47Å; L65-M128 HydrophobicContact CD1-CB 4.48Å; L65-M128 HydrophobicContact CD1-SD 4.31Å; F66-M128 HydrophobicContact CE1-CB 4.16Å; F66-M128 HydrophobicContact CE1-CE 3.97Å; F66-M128 HydrophobicContact CZ-CE 4.04Å; H126-M128 VanDerWaalsContact C-N 3.3Å; H126-M128 PolarHBondContact ND1-N 3.33Å; H126-M128 PolarHBondContact O-N 3.19Å; H126-M128 VanDerWaalsContact O-N 3.15Å; M128-N131 PolarHBondContact O-N 3.12Å; M128-H132 WeakPolarHBondContact O-CB 3.21Å; M128-H132 PolarHBondContact O-N 3.19Å
129L95.7Very high94.2Very high20 Ų2066.1 Ų66.111%0.10533%0.329CS..Hα-helixtrans-70.8-40.6178.6-58.6179.8000110.8L65 F66 R114 E124 H126 P127 N131 H132 R133L65-L129 HydrophobicContact CB-CD2 3.76Å; L65-L129 HydrophobicContact CD2-CD1 4.15Å; L65-L129 HydrophobicContact CD2-CD2 4.21Å; L65-L129 HydrophobicContact CD2-CG 4.31Å; L65-L129 HydrophobicContact CG-CD2 4.38Å; F66-L129 HydrophobicContact CD1-CD2 4.12Å; R114-L129 PolarHBondContact NH1-O 3.18Å; E124-L129 HydrophobicContact CG-CB 3.81Å; E124-L129 VanDerWaalsContact OE1-CB 3.26Å; E124-L129 WeakPolarHBondContact OE1-CB 3.18Å; E124-L129 WeakPolarHBondContact OE1-CD1 3.43Å; H126-L129 HydrophobicContact CB-CB 4.42Å; H126-L129 HydrophobicContact CB-CD1 3.84Å; H126-L129 HydrophobicContact CB-CG 3.89Å; H126-L129 WeakPolarHBondContact O-CB 3.03Å; H126-L129 PolarHBondContact O-N 2.83Å; P127-L129 VanDerWaalsContact C-N 3.34Å; P127-L129 PolarHBondContact O-N 2.89Å; L129-N131 VanDerWaalsContact C-N 3.34Å; L129-H132 WeakPolarHBondContact O-CB 3.41Å; L129-H132 PolarHBondContact O-N 3.19Å; L129-R133 WeakPolarHBondContact O-CB 3.27Å; L129-R133 PolarHBondContact O-N 3.38Å
130L95.3Very high94.3Very high43 Ų4365.6 Ų65.623%0.22533%0.325CS..Hα-helixtrans-61-41.9172.5-72168.3000111.6F121 E124 H126 P127 K134F121-L130 HydrophobicContact CD2-CD2 4.48Å; F121-L130 HydrophobicContact CE2-CD2 3.93Å; F121-L130 HydrophobicContact CZ-CD2 4.38Å; E124-L130 HydrophobicContact CB-CD2 3.83Å; E124-L130 HydrophobicContact CB-CG 4.37Å; E124-L130 HydrophobicContact CG-CD2 3.79Å; E124-L130 HydrophobicContact CG-CG 3.93Å; H126-L130 PolarHBondContact O-N 2.73Å; H126-L130 VanDerWaalsContact O-N 3.13Å; P127-L130 PolarHBondContact O-N 3.05Å; L130-K134 WeakPolarHBondContact O-CG 3.31Å; L130-K134 PolarHBondContact O-N 2.65Å; L130-K134 VanDerWaalsContact O-N 3.08Å
131N94.9Very high94.4Very high103 Ų10366.8 Ų66.855%0.55133%0.33SS*.Hα-helixtrans-66.8-42.9177-173.769.8000112.2P127 M128 L129 K134 T135P127-N131 WeakPolarHBondContact O-CB 3.44Å; P127-N131 PolarHBondContact O-N 3.12Å; M128-N131 PolarHBondContact O-N 3.12Å; L129-N131 VanDerWaalsContact C-N 3.34Å; N131-K134 PolarHBondContact O-N 3.21Å; N131-T135 WeakPolarHBondContact O-CB 3.37Å; N131-T135 PolarHBondContact O-N 3.14Å; N131-T135 PolarHBondContact O-OG1 3.37Å
132H95Very high94.7Very high8 Ų866.2 Ų66.24%0.03734%0.339CS..Hα-helixtrans-55.5-53.4173.3172.7-68.2000110.6E112 R114 M128 L129 K134 T135 E136E112-H132 WeakPolarHBondContact CB-NE2 3.33Å; E112-H132 IonicContact OE2-CD2 3.41Å; E112-H132 PolarHBondContact OE2-CD2 2.82Å; E112-H132 IonicContact OE2-CG 3.07Å; E112-H132 IonicContact OE2-NE2 2.73Å; R114-H132 VanDerWaalsContact CG-CE1 3.41Å; R114-H132 WeakPolarHBondContact CG-CE1 3.39Å; M128-H132 WeakPolarHBondContact O-CB 3.21Å; M128-H132 PolarHBondContact O-N 3.19Å; L129-H132 WeakPolarHBondContact O-CB 3.41Å; L129-H132 PolarHBondContact O-N 3.19Å; H132-K134 PolarHBondContact O-N 3.37Å; H132-T135 PolarHBondContact O-N 3.03Å; H132-T135 VanDerWaalsContact O-N 3.12Å; H132-E136 IonicContact CE1-OE2 2.63Å; H132-E136 WeakPolarHBondContact O-CB 3.44Å; H132-E136 PolarHBondContact O-N 2.91Å
133R96.5Very high94.9Very high2 Ų262.5 Ų62.51%0.00832%0.322CS..Hα-helixtrans-56.2-46.7-179.4-166-178.1-164.6103.56.1112.4V119 E124 L129 L137 P387 E500V119-R133 PolarHBondContact O-NH1 2.95Å; V119-R133 PolarHBondContact O-NH2 3.34Å; E124-R133 WeakPolarHBondContact OE2-CD 3.33Å; E124-R133 IonicContact OE2-CZ 3.39Å; E124-R133 IonicContact OE2-NH1 2.78Å; E124-R133 PolarHBondContact OE2-NH1 2.73Å; L129-R133 WeakPolarHBondContact O-CB 3.27Å; L129-R133 PolarHBondContact O-N 3.38Å; R133-L137 WeakPolarHBondContact O-CG 3.34Å; R133-L137 PolarHBondContact O-N 2.69Å; R133-P387 HydrophobicContact CG-CB 3.97Å; R133-P387 HydrophobicContact CG-CG 3.75Å; R133-P387 VanDerWaalsContact CZ-CG 3.47Å; R133-E500 WeakPolarHBondContact CD-OE1 3.29Å; R133-E500 IonicContact CZ-OE1 3.92Å; R133-E500 IonicContact CZ-OE2 2.74Å; R133-E500 VanDerWaalsContact CZ-OE2 3.26Å; R133-E500 VanDerWaalsContact NE-CD 3.3Å; R133-E500 IonicContact NE-OE1 2.66Å; R133-E500 PolarHBondContact NE-OE1 3.34Å; R133-E500 IonicContact NE-OE2 2.71Å; R133-E500 PolarHBondContact NE-OE2 3.43Å; R133-E500 VanDerWaalsContact NE-OE2 3.09Å; R133-E500 IonicContact NH2-OE1 3.78Å; R133-E500 IonicContact NH2-OE2 2.64Å; R133-E500 PolarHBondContact NH2-OE2 2.84Å
134K95.9Very high95.2Very high120 Ų12060.6 Ų60.652%0.52230%0.302SS..Hα-helixtrans-64.6-39.1176.9-72.1175.3-177.3179.80112.8L130 N131 H132 R138L130-K134 WeakPolarHBondContact O-CG 3.31Å; L130-K134 PolarHBondContact O-N 2.65Å; L130-K134 VanDerWaalsContact O-N 3.08Å; N131-K134 PolarHBondContact O-N 3.21Å; H132-K134 PolarHBondContact O-N 3.37Å; K134-R138 WeakPolarHBondContact O-CB 3.47Å; K134-R138 PolarHBondContact O-N 2.82Å
135T95.9Very high95.5Very high62 Ų6264.6 Ų64.638%0.3832%0.321SS..Hα-helixtrans-68.5-44.6179.7-580000110.7N131 H132 R138 F139N131-T135 WeakPolarHBondContact O-CB 3.37Å; N131-T135 PolarHBondContact O-N 3.14Å; N131-T135 PolarHBondContact O-OG1 3.37Å; H132-T135 PolarHBondContact O-N 3.03Å; H132-T135 VanDerWaalsContact O-N 3.12Å; T135-R138 PolarHBondContact O-N 2.81Å; T135-F139 PolarHBondContact O-N 3.39Å
136E96.1Very high96.1Very high26 Ų2658 Ų5812%0.12129%0.288CS..Hα-helixtrans-56.4-53.2174.1-178-171.5178.300111.2H132 R138 F139 K140 P387 T388H132-E136 IonicContact CE1-OE2 2.63Å; H132-E136 WeakPolarHBondContact O-CB 3.44Å; H132-E136 PolarHBondContact O-N 2.91Å; E136-R138 VanDerWaalsContact C-N 3.32Å; E136-R138 PolarHBondContact O-N 3.04Å; E136-F139 WeakPolarHBondContact O-CB 3.46Å; E136-F139 PolarHBondContact O-N 3.28Å; E136-F139 VanDerWaalsContact O-N 3.17Å; E136-K140 HydrophobicContact CG-CD 4.42Å; E136-K140 WeakPolarHBondContact O-CG 3.13Å; E136-K140 PolarHBondContact O-N 3.04Å; E136-K140 WeakPolarHBondContact OE1-CE 3.37Å; E136-K140 IonicContact OE1-NZ 2.68Å; E136-K140 PolarHBondContact OE1-NZ 2.83Å; E136-P387 VanDerWaalsContact OE2-CB 3.3Å; E136-P387 WeakPolarHBondContact OE2-CB 3.26Å; E136-T388 WeakPolarHBondContact OE1-CB 3.39Å; E136-T388 VanDerWaalsContact OE1-CG2 3.23Å; E136-T388 WeakPolarHBondContact OE1-CG2 3.25Å; E136-T388 PolarHBondContact OE1-N 3.39Å; E136-T388 PolarHBondContact OE1-OG1 2.95Å; E136-T388 PolarHBondContact OE2-OG1 3.49Å
137L96.9Very high96.2Very high19 Ų1959.1 Ų59.110%0.09929%0.293CS..Hα-helixtrans-62.1-38.8179.9-74.6175.4000112.6R133 K140 K141 R384 C385 P387 E500R133-L137 WeakPolarHBondContact O-CG 3.34Å; R133-L137 PolarHBondContact O-N 2.69Å; L137-K140 PolarHBondContact O-N 2.79Å; L137-K141 WeakPolarHBondContact O-CB 3.5Å; L137-K141 WeakPolarHBondContact O-CG 3.26Å; L137-K141 PolarHBondContact O-N 3.43Å; L137-R384 WeakPolarHBondContact CD2-O 3.2Å; L137-C385 WeakPolarHBondContact CD2-O 3.48Å; L137-P387 HydrophobicContact CD1-CG 4.43Å; L137-P387 HydrophobicContact CD2-CB 4.27Å; L137-P387 HydrophobicContact CG-CB 4.25Å; L137-P387 HydrophobicContact CG-CG 4.5Å; L137-E500 HydrophobicContact CD1-CG 4.4Å; L137-E500 WeakPolarHBondContact CD1-OE1 3.22Å
138R97.8Very high96.3Very high186 Ų18659.4 Ų59.470%0.70229%0.288SS*.Hα-helixtrans-61.8-44.8174.8-174.4-174.2-62.2156.61.7111.4K134 T135 E136 G142K134-R138 WeakPolarHBondContact O-CB 3.47Å; K134-R138 PolarHBondContact O-N 2.82Å; T135-R138 PolarHBondContact O-N 2.81Å; E136-R138 VanDerWaalsContact C-N 3.32Å; E136-R138 PolarHBondContact O-N 3.04Å; R138-G142 PolarHBondContact O-N 3.28Å
139F96Very high95.9Very high122 Ų12260.4 Ų60.454%0.53529%0.294SS..Hα-helixtrans-60.3-53.3175.9173.7-97.3000110.6T135 E136 K141 G142 S143 F166T135-F139 PolarHBondContact O-N 3.39Å; E136-F139 WeakPolarHBondContact O-CB 3.46Å; E136-F139 PolarHBondContact O-N 3.28Å; E136-F139 VanDerWaalsContact O-N 3.17Å; F139-K141 PolarHBondContact O-N 2.9Å; F139-G142 WeakPolarHBondContact O-CA 3.41Å; F139-G142 PolarHBondContact O-N 2.86Å; F139-S143 WeakPolarHBondContact O-CB 3.22Å; F139-S143 PolarHBondContact O-N 3.44Å; F139-S143 PolarHBondContact O-OG 2.84Å; F139-F166 HydrophobicContact CE1-CZ 4.47Å; F139-F166 HydrophobicContact CZ-CE1 4.05Å; F139-F166 HydrophobicContact CZ-CZ 4.15Å
140K96.2Very high95.5Very high16 Ų1662.1 Ų62.17%0.0730%0.303CS..Hα-helixtrans-60.1-41.7-179.2-65.8-168.6-168.5169.10112.5E136 L137 G142 S143 Y144 L383 L386E136-K140 HydrophobicContact CG-CD 4.42Å; E136-K140 WeakPolarHBondContact O-CG 3.13Å; E136-K140 PolarHBondContact O-N 3.04Å; E136-K140 WeakPolarHBondContact OE1-CE 3.37Å; E136-K140 IonicContact OE1-NZ 2.68Å; E136-K140 PolarHBondContact OE1-NZ 2.83Å; L137-K140 PolarHBondContact O-N 2.79Å; K140-G142 VanDerWaalsContact C-N 3.29Å; K140-G142 PolarHBondContact O-N 3.18Å; K140-S143 PolarHBondContact O-N 3.46Å; K140-Y144 HydrophobicContact CB-CD2 4.14Å; K140-Y144 HydrophobicContact CB-CE2 4.46Å; K140-Y144 HydrophobicContact CG-CE2 4.43Å; K140-Y144 WeakPolarHBondContact O-CD2 3.47Å; K140-Y144 PolarHBondContact O-N 2.89Å; K140-L383 WeakPolarHBondContact CB-O 3.25Å; K140-L383 WeakPolarHBondContact CD-O 3.46Å; K140-L386 PolarHBondContact NZ-O 2.95Å
141K97.6Very high95.4Very high59 Ų5966.2 Ų66.226%0.25733%0.325SS..Hα-helixtrans-64.8-31.9175.3-73.3-178.2-177.2-178.40113.3L137 F139 R384 E503L137-K141 WeakPolarHBondContact O-CB 3.5Å; L137-K141 WeakPolarHBondContact O-CG 3.26Å; L137-K141 PolarHBondContact O-N 3.43Å; F139-K141 PolarHBondContact O-N 2.9Å; K141-R384 VanDerWaalsContact CE-O 3.27Å; K141-R384 WeakPolarHBondContact CE-O 3.47Å; K141-R384 HydrophobicContact CG-CB 4.22Å; K141-R384 WeakPolarHBondContact CG-O 3.47Å; K141-R384 PolarHBondContact O-NH1 3.28Å; K141-E503 IonicContact NZ-OE1 3.22Å; K141-E503 PolarHBondContact NZ-OE1 3.23Å; K141-E503 IonicContact NZ-OE2 3.43Å; K141-E503 PolarHBondContact NZ-OE2 3.5Å
142G97.2Very high95.5Very high42 Ų4262.8 Ų62.843%0.43331%0.314SS..Hα-helixtrans-72.8-37.317400000112.7R138 F139 K140 Q145R138-G142 PolarHBondContact O-N 3.28Å; F139-G142 WeakPolarHBondContact O-CA 3.41Å; F139-G142 PolarHBondContact O-N 2.86Å; K140-G142 VanDerWaalsContact C-N 3.29Å; K140-G142 PolarHBondContact O-N 3.18Å; G142-Q145 WeakPolarHBondContact O-CG 3.37Å; G142-Q145 PolarHBondContact O-NE2 2.71Å
143S95.7Very high95.6Very high23 Ų2362.7 Ų62.716%0.16131%0.314CS..Hα-helixtrans-86-35.3-174.8-66.40000114.5F139 K140 H158F139-S143 WeakPolarHBondContact O-CB 3.22Å; F139-S143 PolarHBondContact O-N 3.44Å; F139-S143 PolarHBondContact O-OG 2.84Å; K140-S143 PolarHBondContact O-N 3.46Å; S143-H158 PolarHBondContact O-CE1 3.28Å
144Y97.3Very high95.7Very high18 Ų1862.9 Ų62.97%0.07132%0.316CS..SBendtrans-105.494.9177.6-60.6-80.7000108.8K140 F159 F166 L383 R384 L404K140-Y144 HydrophobicContact CB-CD2 4.14Å; K140-Y144 HydrophobicContact CB-CE2 4.46Å; K140-Y144 HydrophobicContact CG-CE2 4.43Å; K140-Y144 WeakPolarHBondContact O-CD2 3.47Å; K140-Y144 PolarHBondContact O-N 2.89Å; Y144-F159 AromaticContact CD1-CE2 3.87Å; Y144-F159 HydrophobicContact CD1-CE2 3.87Å; Y144-F159 HydrophobicContact CD1-CZ 4.28Å; Y144-F159 HydrophobicContact CE1-CE2 4.22Å; Y144-F159 HydrophobicContact CE1-CZ 4.44Å; Y144-F166 AromaticContact CE1-CD2 3.82Å; Y144-F166 HydrophobicContact CE1-CD2 3.82Å; Y144-F166 HydrophobicContact CE1-CE2 4.11Å; Y144-F166 HydrophobicContact CE2-CD2 4.28Å; Y144-F166 HydrophobicContact CE2-CE2 4.17Å; Y144-F166 AromaticContact CZ-CD2 3.52Å; Y144-F166 AromaticContact CZ-CE2 3.81Å; Y144-F166 VanDerWaalsContact OH-CD2 3.24Å; Y144-F166 WeakPolarHBondContact OH-CD2 3.29Å; Y144-L383 HydrophobicContact CD1-CB 4.42Å; Y144-L383 HydrophobicContact CD1-CD1 3.89Å; Y144-L383 HydrophobicContact CD2-CB 3.94Å; Y144-L383 HydrophobicContact CE1-CD1 3.62Å; Y144-L383 HydrophobicContact CE2-CB 4.1Å; Y144-L383 HydrophobicContact CE2-CD1 4.44Å; Y144-L383 HydrophobicContact CG-CB 4.11Å; Y144-L383 HydrophobicContact CG-CD1 4.42Å; Y144-R384 WeakPolarHBondContact O-CD 3.5Å; Y144-R384 WeakPolarHBondContact O-CG 3.25Å; Y144-R384 PolarHBondContact O-NH1 2.83Å; Y144-L404 HydrophobicContact CD1-CD1 4.38Å; Y144-L404 HydrophobicContact CE1-CD1 4.31Å
145Q97.6Very high95.8Very high97 Ų9758.6 Ų58.645%0.45330%0.297SS..  trans-103.5146.3-178.8-57.9-178.8-5.200111.9G142 H158G142-Q145 WeakPolarHBondContact O-CG 3.37Å; G142-Q145 PolarHBondContact O-NE2 2.71Å; Q145-H158 HydrophobicContact CB-CB 4.01Å; Q145-H158 PolarHBondContact N-ND1 3.09Å; Q145-H158 WeakPolarHBondContact O-CB 3.42Å; Q145-H158 PolarHBondContact O-N 3.49Å; Q145-H158 PolarHBondContact O-ND1 2.97Å
146W98Very high95.8Very high40 Ų4056 Ų5615%0.15228%0.281CS..EExtended strand (participates in β ladder)trans-76.8145.5171.2-65.2107.5000111.2H155 I156 V377 I380 A381 E507 H511W146-H155 HydrophobicContact CB-CB 4.45Å; W146-H155 HydrophobicContact CD2-CB 4.45Å; W146-H155 HydrophobicContact CE3-CB 3.73Å; W146-H155 HydrophobicContact CZ3-CB 4.37Å; W146-H155 WeakPolarHBondContact CZ3-O 3.45Å; W146-I156 CarbonylContact C-O 3.56Å; W146-V377 HydrophobicContact CH2-CB 4.22Å; W146-V377 HydrophobicContact CH2-CG1 3.99Å; W146-V377 HydrophobicContact CH2-CG2 4.41Å; W146-V377 WeakPolarHBondContact CH2-O 3.37Å; W146-V377 HydrophobicContact CZ3-CB 4.45Å; W146-V377 HydrophobicContact CZ3-CG2 4.2Å; W146-I380 HydrophobicContact CD2-CG2 3.78Å; W146-I380 VanDerWaalsContact CE2-CG2 3.5Å; W146-I380 HydrophobicContact CE3-CB 4.41Å; W146-I380 HydrophobicContact CE3-CD1 3.93Å; W146-I380 HydrophobicContact CE3-CG2 3.98Å; W146-I380 HydrophobicContact CH2-CB 3.7Å; W146-I380 HydrophobicContact CH2-CD1 4.37Å; W146-I380 HydrophobicContact CH2-CG2 3.77Å; W146-I380 HydrophobicContact CZ2-CB 3.91Å; W146-I380 HydrophobicContact CZ2-CG2 3.52Å; W146-I380 HydrophobicContact CZ3-CB 3.96Å; W146-I380 HydrophobicContact CZ3-CD1 3.75Å; W146-I380 HydrophobicContact CZ3-CG1 4.48Å; W146-I380 HydrophobicContact CZ3-CG2 3.98Å; W146-A381 HydrophobicContact CZ2-CB 4.24Å; W146-E507 PolarHBondContact NE1-OE2 3.39Å; W146-H511 AromaticContact CD1-CD2 3.39Å; W146-H511 AromaticContact CD1-CG 3.95Å; W146-H511 AromaticContact CD1-NE2 3.43Å; W146-H511 HydrophobicContact CD2-CB 3.83Å; W146-H511 AromaticContact CD2-CD2 3.82Å; W146-H511 AromaticContact CD2-CG 3.75Å; W146-H511 AromaticContact CE2-CD2 3.37Å; W146-H511 AromaticContact CE2-CG 3.69Å; W146-H511 HydrophobicContact CE3-CB 3.9Å; W146-H511 HydrophobicContact CG-CB 4.48Å; W146-H511 AromaticContact CG-CD2 3.83Å; W146-H511 AromaticContact CG-CG 3.92Å; W146-H511 HydrophobicContact CH2-CB 3.85Å; W146-H511 HydrophobicContact CZ2-CB 3.82Å; W146-H511 AromaticContact CZ2-CD2 3.93Å; W146-H511 HydrophobicContact CZ3-CB 3.9Å; W146-H511 AromaticContact NE1-CD2 3.12Å; W146-H511 PolarHBondContact NE1-CD2 3.37Å; W146-H511 AromaticContact NE1-CG 3.84Å; W146-H511 AromaticContact NE1-NE2 3.61Å
147K96.9Very high95.8Very high72 Ų7254.9 Ų54.931%0.31328%0.276SS..EExtended strand (participates in β ladder)trans-134.5130.5174.6179.9-177.5176.6-168.20110.5I149 I156 H158K147-I149 HydrophobicContact CD-CD1 4.48Å; K147-I149 HydrophobicContact CD-CG1 4.22Å; K147-I149 HydrophobicContact CG-CG1 4.2Å; K147-I156 PolarHBondContact N-O 2.89Å; K147-I156 PolarHBondContact O-N 3.29Å; K147-H158 HydrophobicContact CB-CB 4.26Å
148I95.5Very high95.8Very high101 Ų10156.6 Ų56.652%0.51828%0.283SS..  trans-84.7122.6170.8-48.4-175.4000107.5
149I85.5Confident95.7Very high89 Ų8948.5 Ų48.546%0.45625%0.253SS..SBendtrans-106.7-38176.1-66.9-165.5000111.6K147 I156K147-I149 HydrophobicContact CD-CD1 4.48Å; K147-I149 HydrophobicContact CD-CG1 4.22Å; K147-I149 HydrophobicContact CG-CG1 4.2Å; I149-I156 HydrophobicContact CD1-CD1 3.2Å; I149-I156 HydrophobicContact CD1-CG1 3.53Å; I149-I156 HydrophobicContact CG1-CD1 4.13Å; I149-I156 HydrophobicContact CG1-CG1 3.89Å
150N88.4Confident95.5Very high56 Ų5649.3 Ų49.330%0.29926%0.257SS..SBendtrans-143.9133.9177.9-87.6-65.2000108.2L153 M432N150-L153 HydrophobicContact CB-CB 4.46Å; N150-L153 HydrophobicContact CB-CD1 3.84Å; N150-L153 HydrophobicContact CB-CG 4.18Å; N150-L153 PolarHBondContact O-N 3.47Å; N150-M432 PolarHBondContact ND2-SD 3.3Å; N150-M432 VanDerWaalsContact ND2-SD 3.44Å
151D93.3Very high95.4Very high130 Ų13050.9 Ų50.970%0.69527%0.266SS*.THydrogen-bonded Turntrans-57.5141173.3-64.9-19.5000109.9L153 R436D151-L153 VanDerWaalsContact C-N 3.3Å; D151-L153 PolarHBondContact O-N 3.47Å; D151-R436 PolarHBondContact O-NE 3.26Å; D151-R436 PolarHBondContact O-NH2 3.44Å
152G95.9Very high95.2Very high31 Ų3149 Ų4932%0.3226%0.259SS..THydrogen-bonded Turntrans75.29.6177.900000115.7L439 L514G152-L439 WeakPolarHBondContact O-CD2 3.32Å; G152-L514 VanDerWaalsContact C-CD1 3.48Å; G152-L514 VanDerWaalsContact CA-CD1 3.49Å
153L97.3Very high94.9Very high6 Ų654.5 Ų54.53%0.03127%0.271CS..SBendtrans-114.1159.6170-65-172.2000111.3N150 D151 H155 M432 M435 R436N150-L153 HydrophobicContact CB-CB 4.46Å; N150-L153 HydrophobicContact CB-CD1 3.84Å; N150-L153 HydrophobicContact CB-CG 4.18Å; N150-L153 PolarHBondContact O-N 3.47Å; D151-L153 VanDerWaalsContact C-N 3.3Å; D151-L153 PolarHBondContact O-N 3.47Å; L153-H155 PolarHBondContact O-N 2.76Å; L153-M432 HydrophobicContact CD1-SD 3.54Å; L153-M432 VanDerWaalsContact CD1-SD 3.54Å; L153-M435 HydrophobicContact CD1-CE 3.97Å; L153-M435 HydrophobicContact CD2-CB 3.46Å; L153-M435 VanDerWaalsContact CD2-CB 3.46Å; L153-R436 HydrophobicContact CD2-CB 4.08Å
154P97.9Very high94.8Very high6 Ų658 Ų584%0.03929%0.285CS..  trans-55.6139.9173.9-22.335.6000110.5L369 V377 L439P154-L369 HydrophobicContact CG-CD1 3.82Å; P154-V377 HydrophobicContact CB-CG2 3.88Å; P154-L439 HydrophobicContact CG-CD1 4.11Å; P154-L439 HydrophobicContact CG-CD2 4.08Å
155H98.4Very high94.6Very high29 Ų2957.4 Ų57.413%0.13428%0.283CS..  trans-67.5149.1171.7-60176.6000109.3W146 L153 H511W146-H155 HydrophobicContact CB-CB 4.45Å; W146-H155 HydrophobicContact CD2-CB 4.45Å; W146-H155 HydrophobicContact CE3-CB 3.73Å; W146-H155 HydrophobicContact CZ3-CB 4.37Å; W146-H155 WeakPolarHBondContact CZ3-O 3.45Å; L153-H155 PolarHBondContact O-N 2.76Å; H155-H511 HydrophobicContact CB-CB 4.17Å; H155-H511 AromaticContact CE1-ND1 3.5Å; H155-H511 AromaticContact CG-ND1 3.99Å; H155-H511 PolarHBondContact N-O 2.76Å; H155-H511 AromaticContact ND1-CE1 3.85Å; H155-H511 AromaticContact ND1-CG 3.8Å; H155-H511 AromaticContact ND1-ND1 2.95Å; H155-H511 PolarHBondContact ND1-ND1 2.78Å
156I96.2Very high94.2Very high8 Ų855.6 Ų55.64%0.04127%0.274CS..EExtended strand (participates in β ladder)trans-120.4-177.9-17971.1144.1000111W146 K147 I149W146-I156 CarbonylContact C-O 3.56Å; K147-I156 PolarHBondContact N-O 2.89Å; K147-I156 PolarHBondContact O-N 3.29Å; I149-I156 HydrophobicContact CD1-CD1 3.2Å; I149-I156 HydrophobicContact CD1-CG1 3.53Å; I149-I156 HydrophobicContact CG1-CD1 4.13Å; I149-I156 HydrophobicContact CG1-CG1 3.89Å
157S95.9Very high93.5Very high2 Ų254.4 Ų54.41%0.01427%0.272CS..EExtended strand (participates in β ladder)trans-67.5148.4174.664.10000111.9F159 E376 I380S157-F159 PolarHBondContact O-N 2.89Å; S157-E376 VanDerWaalsContact CB-OE1 3.3Å; S157-E376 WeakPolarHBondContact CB-OE1 3.32Å; S157-E376 PolarHBondContact N-OE1 3.36Å; S157-E376 PolarHBondContact OG-OE1 3.19Å; S157-I380 VanDerWaalsContact CA-CD1 3.44Å
158H96.4Very high92.9Very high55 Ų5553.4 Ų53.426%0.25527%0.269SS..SBendtrans-69.6-18175.178.1-62.8000114.4S143 Q145 K147S143-H158 PolarHBondContact O-CE1 3.28Å; Q145-H158 HydrophobicContact CB-CB 4.01Å; Q145-H158 PolarHBondContact N-ND1 3.09Å; Q145-H158 WeakPolarHBondContact O-CB 3.42Å; Q145-H158 PolarHBondContact O-N 3.49Å; Q145-H158 PolarHBondContact O-ND1 2.97Å; K147-H158 HydrophobicContact CB-CB 4.26Å
159F96.2Very high92.6Very high16 Ų1649 Ų497%0.0725%0.247CC..  trans-61.6135-178.6-61.4-68.2000111.4Y144 S157 E164 L165 F166 I408Y144-F159 AromaticContact CD1-CE2 3.87Å; Y144-F159 HydrophobicContact CD1-CE2 3.87Å; Y144-F159 HydrophobicContact CD1-CZ 4.28Å; Y144-F159 HydrophobicContact CE1-CE2 4.22Å; Y144-F159 HydrophobicContact CE1-CZ 4.44Å; S157-F159 PolarHBondContact O-N 2.89Å; F159-E164 WeakPolarHBondContact CA-OE2 3.33Å; F159-E164 HydrophobicContact CD1-CB 3.68Å; F159-E164 HydrophobicContact CE1-CB 4.35Å; F159-E164 VanDerWaalsContact CE1-O 3.28Å; F159-E164 WeakPolarHBondContact CE1-O 3.32Å; F159-L165 HydrophobicContact CB-CD2 4.13Å; F159-L165 HydrophobicContact CD1-CD2 4.29Å; F159-L165 HydrophobicContact CD2-CD2 3.37Å; F159-L165 HydrophobicContact CE2-CD2 3.73Å; F159-L165 HydrophobicContact CG-CD2 3.68Å; F159-L165 HydrophobicContact CZ-CD2 4.31Å; F159-F166 HydrophobicContact CZ-CD2 4.46Å; F159-F166 HydrophobicContact CZ-CE2 4.2Å; F159-I408 HydrophobicContact CB-CD1 3.74Å
160K92.7Very high92.8Very high140 Ų14048.2 Ų48.261%0.60924%0.238SC*.  trans-102.2-23.2179.1-64.1177.3-175.5172.10112.2E164 K412K160-E164 PolarHBondContact N-OE2 3.47Å; K160-K412 WeakPolarHBondContact O-CE 3.47Å; K160-K412 PolarHBondContact O-NZ 3.46Å
161D93.4Very high92.9Very high48 Ų4846.1 Ų46.126%0.25723%0.226SC..SBendtrans-137.3147.2-175.8-157.4-74.6000111.7F163 E164 K412D161-F163 PolarHBondContact O-N 3.44Å; D161-F163 WeakPolarHBondContact OD1-CD2 3.43Å; D161-F163 PolarHBondContact OD1-N 3.32Å; D161-E164 HydrophobicContact CB-CG 4.26Å; D161-E164 WeakPolarHBondContact O-CB 3.13Å; D161-E164 PolarHBondContact O-N 2.91Å; D161-K412 IonicContact OD2-NZ 3.77Å; D161-K412 PolarHBondContact OD2-NZ 2.9Å
162V93.5Very high92.6Very high19 Ų1941.3 Ų41.312%0.11520%0.203CC..G310 helixtrans-64.9-22.3178.7-62.50000111.8E164 L165 R170 I408V162-E164 VanDerWaalsContact C-N 3.3Å; V162-L165 WeakPolarHBondContact O-CB 3.38Å; V162-L165 PolarHBondContact O-N 3.26Å; V162-R170 WeakPolarHBondContact O-CD 3.45Å; V162-I408 HydrophobicContact CG1-CB 4.04Å; V162-I408 HydrophobicContact CG1-CG2 3.87Å
163F90.6Very high92Very high158 Ų15843.5 Ų43.569%0.69321%0.207SC*.G310 helixtrans-75.2-16.3174.6-58.1-61.3000113.6D161 L165D161-F163 PolarHBondContact O-N 3.44Å; D161-F163 WeakPolarHBondContact OD1-CD2 3.43Å; D161-F163 PolarHBondContact OD1-N 3.32Å; F163-L165 VanDerWaalsContact C-N 3.31Å
164E93.6Very high91.5Very high96 Ų9645.1 Ų45.145%0.44922%0.219SC..G310 helixtrans-81-15.2173.8-60.4173.6176.900112.2F159 K160 D161 V162F159-E164 WeakPolarHBondContact CA-OE2 3.33Å; F159-E164 HydrophobicContact CD1-CB 3.68Å; F159-E164 HydrophobicContact CE1-CB 4.35Å; F159-E164 VanDerWaalsContact CE1-O 3.28Å; F159-E164 WeakPolarHBondContact CE1-O 3.32Å; K160-E164 PolarHBondContact N-OE2 3.47Å; D161-E164 HydrophobicContact CB-CG 4.26Å; D161-E164 WeakPolarHBondContact O-CB 3.13Å; D161-E164 PolarHBondContact O-N 2.91Å; V162-E164 VanDerWaalsContact C-N 3.3Å
165L92.8Very high91Very high6 Ų645 Ų453%0.03122%0.218CC..SBendtrans-73143.5179.2-66.7176.4000111.5F159 V162 F163 V169 R170 L404 H405 I408F159-L165 HydrophobicContact CB-CD2 4.13Å; F159-L165 HydrophobicContact CD1-CD2 4.29Å; F159-L165 HydrophobicContact CD2-CD2 3.37Å; F159-L165 HydrophobicContact CE2-CD2 3.73Å; F159-L165 HydrophobicContact CG-CD2 3.68Å; F159-L165 HydrophobicContact CZ-CD2 4.31Å; V162-L165 WeakPolarHBondContact O-CB 3.38Å; V162-L165 PolarHBondContact O-N 3.26Å; F163-L165 VanDerWaalsContact C-N 3.31Å; L165-V169 HydrophobicContact CB-CG2 4.1Å; L165-V169 HydrophobicContact CD2-CG2 4.19Å; L165-R170 HydrophobicContact CB-CG 3.52Å; L165-R170 HydrophobicContact CD1-CG 4.19Å; L165-R170 WeakPolarHBondContact O-CD 3.47Å; L165-L404 HydrophobicContact CD1-CB 4.15Å; L165-L404 HydrophobicContact CD2-CB 3.91Å; L165-L404 HydrophobicContact CD2-CD1 4.13Å; L165-H405 HydrophobicContact CD1-CB 3.91Å; L165-I408 HydrophobicContact CD1-CD1 4Å; L165-I408 HydrophobicContact CD2-CD1 4.12Å; L165-I408 HydrophobicContact CG-CD1 4.08Å
166F89.3Confident90.6Very high60 Ų6044.8 Ų44.826%0.26322%0.219SC..  trans-60.8146.7167.1-57.3-83.5000110.9F139 Y144 F159 E168 V169 R170F139-F166 HydrophobicContact CE1-CZ 4.47Å; F139-F166 HydrophobicContact CZ-CE1 4.05Å; F139-F166 HydrophobicContact CZ-CZ 4.15Å; Y144-F166 AromaticContact CE1-CD2 3.82Å; Y144-F166 HydrophobicContact CE1-CD2 3.82Å; Y144-F166 HydrophobicContact CE1-CE2 4.11Å; Y144-F166 HydrophobicContact CE2-CD2 4.28Å; Y144-F166 HydrophobicContact CE2-CE2 4.17Å; Y144-F166 AromaticContact CZ-CD2 3.52Å; Y144-F166 AromaticContact CZ-CE2 3.81Å; Y144-F166 VanDerWaalsContact OH-CD2 3.24Å; Y144-F166 WeakPolarHBondContact OH-CD2 3.29Å; F159-F166 HydrophobicContact CZ-CD2 4.46Å; F159-F166 HydrophobicContact CZ-CE2 4.2Å; F166-E168 WeakPolarHBondContact CB-OE2 3.48Å; F166-E168 PolarHBondContact O-N 2.57Å; F166-E168 VanDerWaalsContact O-N 3.08Å; F166-V169 WeakPolarHBondContact O-CG2 3.5Å; F166-V169 PolarHBondContact O-N 2.56Å; F166-V169 VanDerWaalsContact O-N 3.12Å; F166-R170 PolarHBondContact O-N 3.01Å
167A84.8Confident90.2Very high14 Ų1448.4 Ų48.412%0.11624%0.236CC..G310 helixtrans-58.6-28-171.800000113.8W104 V169 R170W104-A167 HydrophobicContact CB-CB 3.73Å; W104-A167 HydrophobicContact CG-CB 3.91Å; A167-V169 VanDerWaalsContact C-N 3.3Å; A167-V169 PolarHBondContact O-N 3.29Å; A167-R170 PolarHBondContact O-N 3.05Å
168E83.1Confident89.8Confident52 Ų5250.9 Ų50.924%0.24325%0.247CC..G310 helixtrans-73.1-19.1-177.5-53.179.8-174.700113.6R103 F166R103-E168 HydrophobicContact CB-CG 3.38Å; R103-E168 WeakPolarHBondContact CB-OE1 3.18Å; R103-E168 IonicContact CZ-OE1 2.61Å; R103-E168 IonicContact NE-OE1 3.81Å; R103-E168 PolarHBondContact NE-OE1 3.43Å; R103-E168 IonicContact NH2-OE1 3.79Å; R103-E168 PolarHBondContact NH2-OE1 3.49Å; F166-E168 WeakPolarHBondContact CB-OE2 3.48Å; F166-E168 PolarHBondContact O-N 2.57Å; F166-E168 VanDerWaalsContact O-N 3.08Å
169V88.6Confident89.3Confident9 Ų948.7 Ų48.76%0.05524%0.237CC..G310 helixtrans-113.56.4179.3-59.70000112.3L165 F166 A167 L383 L404L165-V169 HydrophobicContact CB-CG2 4.1Å; L165-V169 HydrophobicContact CD2-CG2 4.19Å; F166-V169 WeakPolarHBondContact O-CG2 3.5Å; F166-V169 PolarHBondContact O-N 2.56Å; F166-V169 VanDerWaalsContact O-N 3.12Å; A167-V169 VanDerWaalsContact C-N 3.3Å; A167-V169 PolarHBondContact O-N 3.29Å; V169-L383 HydrophobicContact CG1-CD1 4.22Å; V169-L404 HydrophobicContact CG2-CD1 4.26Å
170R90.1Very high88.9Confident71 Ų7152.2 Ų52.227%0.26825%0.254SS..SBendtrans-90.7159173.3-70.6-172.2-56.2-172-2.2110.7E81 V162 L165 F166 A167 C402E81-R170 IonicContact OE2-NH2 3.08Å; V162-R170 WeakPolarHBondContact O-CD 3.45Å; L165-R170 HydrophobicContact CB-CG 3.52Å; L165-R170 HydrophobicContact CD1-CG 4.19Å; L165-R170 WeakPolarHBondContact O-CD 3.47Å; F166-R170 PolarHBondContact O-N 3.01Å; A167-R170 PolarHBondContact O-N 3.05Å; R170-C402 PolarHBondContact O-SG 2.95Å
171F90.8Very high88.5Confident13 Ų1350.3 Ų50.36%0.05725%0.246CC..PPolyproline II helixtrans-54.4149.7165-76.22.2000111.8K175 S176 Y179 C402 H405 I406 T668F171-K175 HydrophobicContact CB-CB 4.25Å; F171-K175 HydrophobicContact CB-CD 4.38Å; F171-K175 HydrophobicContact CB-CG 4.46Å; F171-K175 HydrophobicContact CD1-CD 3.88Å; F171-K175 HydrophobicContact CD2-CB 4.39Å; F171-K175 HydrophobicContact CD2-CD 3.99Å; F171-K175 HydrophobicContact CD2-CG 3.85Å; F171-K175 HydrophobicContact CE1-CD 4.05Å; F171-K175 HydrophobicContact CE2-CD 4.16Å; F171-K175 HydrophobicContact CE2-CG 4.15Å; F171-K175 HydrophobicContact CG-CB 4.42Å; F171-K175 HydrophobicContact CG-CD 3.83Å; F171-K175 HydrophobicContact CG-CG 4.08Å; F171-K175 HydrophobicContact CZ-CD 4.18Å; F171-S176 WeakPolarHBondContact CB-OG 2.95Å; F171-Y179 HydrophobicContact CE2-CD2 4.33Å; F171-Y179 HydrophobicContact CE2-CG 4.18Å; F171-C402 HydrophobicContact CD1-CB 3.68Å; F171-C402 HydrophobicContact CE1-CB 3.74Å; F171-H405 HydrophobicContact CD1-CB 3.91Å; F171-H405 AromaticContact CD1-CD2 3.58Å; F171-H405 AromaticContact CD1-CG 3.65Å; F171-H405 AromaticContact CD2-CD2 3.5Å; F171-H405 VanDerWaalsContact CD2-CD2 3.5Å; F171-H405 WeakPolarHBondContact CD2-CD2 3.2Å; F171-H405 AromaticContact CD2-CE1 3.99Å; F171-H405 AromaticContact CD2-NE2 3.37Å; F171-H405 WeakPolarHBondContact CD2-NE2 3Å; F171-H405 HydrophobicContact CE1-CB 4.16Å; F171-H405 AromaticContact CE1-CD2 3.71Å; F171-H405 AromaticContact CE2-CD2 3.63Å; F171-H405 AromaticContact CE2-NE2 3.81Å; F171-H405 AromaticContact CG-CD2 3.49Å; F171-H405 VanDerWaalsContact CG-CD2 3.49Å; F171-H405 WeakPolarHBondContact CG-CD2 3.31Å; F171-H405 AromaticContact CG-CE1 3.84Å; F171-H405 AromaticContact CG-CG 3.76Å; F171-H405 AromaticContact CG-ND1 3.97Å; F171-H405 AromaticContact CG-NE2 3.59Å; F171-H405 AromaticContact CZ-CD2 3.74Å; F171-H405 PolarHBondContact N-ND1 3.24Å; F171-I406 HydrophobicContact CE1-CB 4.12Å; F171-I406 HydrophobicContact CZ-CB 3.97Å; F171-I406 HydrophobicContact CZ-CD1 3.95Å; F171-I406 HydrophobicContact CZ-CG1 4.45Å; F171-T668 WeakPolarHBondContact CZ-O 3.43Å
172S86.8Confident88.1Confident28 Ų2848.6 Ų48.620%0.19624%0.238CC..PPolyproline II helixtrans-58.6156.8163.573.40000110.2S174 K175 S176 D609S172-S174 VanDerWaalsContact C-N 3.27Å; S172-S174 PolarHBondContact O-N 3.23Å; S172-S174 PolarHBondContact OG-OG 3.48Å; S172-K175 PolarHBondContact O-N 3.45Å; S172-K175 VanDerWaalsContact OG-CB 3.29Å; S172-K175 WeakPolarHBondContact OG-CB 3.06Å; S172-K175 PolarHBondContact OG-N 2.85Å; S172-S176 WeakPolarHBondContact O-CB 3.48Å; S172-S176 PolarHBondContact O-N 3Å; S172-S176 PolarHBondContact O-OG 3.21Å; S172-D609 WeakPolarHBondContact CB-OD2 3.36Å; S172-D609 PolarHBondContact OG-OD2 3.12Å
173L84.3Confident87.5Confident77 Ų7750.5 Ų50.540%0.40325%0.245SC..Hα-helixtrans-59.9-40.9176179.663.7000111.3K14 S176 E177K14-L173 HydrophobicContact CD-CD2 4.11Å; L173-S176 PolarHBondContact O-N 3.04Å; L173-E177 HydrophobicContact CD1-CG 4.36Å; L173-E177 HydrophobicContact CG-CG 4.46Å; L173-E177 WeakPolarHBondContact O-CB 3.45Å; L173-E177 WeakPolarHBondContact O-CG 3.34Å; L173-E177 PolarHBondContact O-N 3.17Å
174S85.8Confident87.1Confident41 Ų4148.9 Ų48.929%0.28724%0.235SC..Hα-helixtrans-61-46.6176.838.20000112.1S172 S176 E177 E178S172-S174 VanDerWaalsContact C-N 3.27Å; S172-S174 PolarHBondContact O-N 3.23Å; S172-S174 PolarHBondContact OG-OG 3.48Å; S174-S176 VanDerWaalsContact C-N 3.33Å; S174-S176 PolarHBondContact O-N 3.48Å; S174-E177 PolarHBondContact O-N 3.22Å; S174-E178 WeakPolarHBondContact O-CG 3.19Å; S174-E178 PolarHBondContact O-N 3.11Å
175K89Confident86.4Confident4 Ų446.9 Ų46.92%0.01723%0.227CC..Hα-helixtrans-64.8-39.4177.5-169.3175.6-165.1135.50111.9F171 S172 E178 Y179 Y607 D609 E664 T668F171-K175 HydrophobicContact CB-CB 4.25Å; F171-K175 HydrophobicContact CB-CD 4.38Å; F171-K175 HydrophobicContact CB-CG 4.46Å; F171-K175 HydrophobicContact CD1-CD 3.88Å; F171-K175 HydrophobicContact CD2-CB 4.39Å; F171-K175 HydrophobicContact CD2-CD 3.99Å; F171-K175 HydrophobicContact CD2-CG 3.85Å; F171-K175 HydrophobicContact CE1-CD 4.05Å; F171-K175 HydrophobicContact CE2-CD 4.16Å; F171-K175 HydrophobicContact CE2-CG 4.15Å; F171-K175 HydrophobicContact CG-CB 4.42Å; F171-K175 HydrophobicContact CG-CD 3.83Å; F171-K175 HydrophobicContact CG-CG 4.08Å; F171-K175 HydrophobicContact CZ-CD 4.18Å; S172-K175 PolarHBondContact O-N 3.45Å; S172-K175 VanDerWaalsContact OG-CB 3.29Å; S172-K175 WeakPolarHBondContact OG-CB 3.06Å; S172-K175 PolarHBondContact OG-N 2.85Å; K175-E178 PolarHBondContact O-N 3.43Å; K175-Y179 WeakPolarHBondContact O-CB 3.45Å; K175-Y179 PolarHBondContact O-N 3.16Å; K175-Y607 HydrophobicContact CG-CG 4.38Å; K175-D609 VanDerWaalsContact CB-OD2 3.24Å; K175-D609 WeakPolarHBondContact CB-OD2 3.19Å; K175-D609 VanDerWaalsContact CD-OD1 3.26Å; K175-D609 WeakPolarHBondContact CD-OD1 3.38Å; K175-D609 WeakPolarHBondContact CG-OD1 3.41Å; K175-D609 IonicContact NZ-OD1 3.8Å; K175-E664 IonicContact NZ-OE2 2.68Å; K175-T668 VanDerWaalsContact NZ-CB 3.31Å; K175-T668 PolarHBondContact NZ-OG1 3.27Å
176S88.1Confident85.5Confident24 Ų2446.9 Ų46.917%0.16823%0.227CC..Hα-helixtrans-60.9-47.6175.1-55.60000111.1F171 S172 L173 S174 E178 Y179 E180F171-S176 WeakPolarHBondContact CB-OG 2.95Å; S172-S176 WeakPolarHBondContact O-CB 3.48Å; S172-S176 PolarHBondContact O-N 3Å; S172-S176 PolarHBondContact O-OG 3.21Å; L173-S176 PolarHBondContact O-N 3.04Å; S174-S176 VanDerWaalsContact C-N 3.33Å; S174-S176 PolarHBondContact O-N 3.48Å; S176-E178 PolarHBondContact O-N 3.12Å; S176-Y179 PolarHBondContact O-N 3.09Å; S176-E180 WeakPolarHBondContact O-CB 3.39Å; S176-E180 VanDerWaalsContact O-CG 3.29Å; S176-E180 WeakPolarHBondContact O-CG 3.35Å; S176-E180 PolarHBondContact O-N 3.09Å
177E87.7Confident84.8Confident84 Ų8449.1 Ų49.139%0.39324%0.241SC..Hα-helixtrans-59.5-44.4177.4-74.5173.5-17900111.9K14 L173 S174 H181K14-E177 VanDerWaalsContact NZ-CD 3.35Å; K14-E177 IonicContact NZ-OE1 2.83Å; K14-E177 PolarHBondContact NZ-OE1 3.11Å; K14-E177 IonicContact NZ-OE2 2.76Å; K14-E177 PolarHBondContact NZ-OE2 2.96Å; L173-E177 HydrophobicContact CD1-CG 4.36Å; L173-E177 HydrophobicContact CG-CG 4.46Å; L173-E177 WeakPolarHBondContact O-CB 3.45Å; L173-E177 WeakPolarHBondContact O-CG 3.34Å; L173-E177 PolarHBondContact O-N 3.17Å; S174-E177 PolarHBondContact O-N 3.22Å; E177-H181 VanDerWaalsContact O-CB 3.3Å; E177-H181 WeakPolarHBondContact O-CB 3.38Å; E177-H181 PolarHBondContact O-N 3.26Å
178E87.9Confident84.2Confident54 Ų5453.6 Ų53.625%0.25226%0.26SS..Hα-helixtrans-70.7-42.5179.1-71.4175.1-157.800113.1S174 K175 S176 H181 T182 Y607 T608S174-E178 WeakPolarHBondContact O-CG 3.19Å; S174-E178 PolarHBondContact O-N 3.11Å; K175-E178 PolarHBondContact O-N 3.43Å; S176-E178 PolarHBondContact O-N 3.12Å; E178-H181 PolarHBondContact O-N 3.18Å; E178-T182 WeakPolarHBondContact O-CB 3.4Å; E178-T182 PolarHBondContact O-N 3.08Å; E178-T182 PolarHBondContact O-OG1 3.38Å; E178-Y607 HydrophobicContact CB-CD1 3.74Å; E178-Y607 HydrophobicContact CB-CE1 4.29Å; E178-Y607 WeakPolarHBondContact OE2-CA 3.44Å; E178-T608 WeakPolarHBondContact OE1-CB 3.28Å; E178-T608 WeakPolarHBondContact OE1-CG2 3.43Å; E178-T608 PolarHBondContact OE1-OG1 3.4Å; E178-T608 PolarHBondContact OE2-N 2.83Å; E178-T608 PolarHBondContact OE2-OG1 2.89Å
179Y86.8Confident83.6Confident9 Ų952 Ų524%0.03525%0.252CS..Hα-helixtrans-61-49.3176.8-178.8-99.1000110.5F171 K175 S176 H181 T182 Q183 I406 I602 Y607 I669F171-Y179 HydrophobicContact CE2-CD2 4.33Å; F171-Y179 HydrophobicContact CE2-CG 4.18Å; K175-Y179 WeakPolarHBondContact O-CB 3.45Å; K175-Y179 PolarHBondContact O-N 3.16Å; S176-Y179 PolarHBondContact O-N 3.09Å; Y179-H181 VanDerWaalsContact C-N 3.32Å; Y179-H181 PolarHBondContact O-N 2.98Å; Y179-T182 PolarHBondContact O-N 3.23Å; Y179-Q183 HydrophobicContact CD1-CG 4.42Å; Y179-Q183 VanDerWaalsContact CE1-CD 3.41Å; Y179-Q183 HydrophobicContact CE1-CG 4.13Å; Y179-Q183 VanDerWaalsContact CZ-NE2 3.26Å; Y179-Q183 WeakPolarHBondContact O-CG 3.36Å; Y179-Q183 PolarHBondContact O-N 2.97Å; Y179-Q183 PolarHBondContact OH-NE2 3.42Å; Y179-I406 HydrophobicContact CE2-CD1 4.24Å; Y179-I602 HydrophobicContact CE2-CG2 4.08Å; Y179-Y607 HydrophobicContact CD2-CE2 4.36Å; Y179-Y607 AromaticContact CD2-CZ 3.86Å; Y179-Y607 WeakPolarHBondContact CD2-OH 3.41Å; Y179-I669 HydrophobicContact CD2-CD1 4.02Å; Y179-I669 HydrophobicContact CE2-CD1 3.66Å
180E86.9Confident82.7Confident90 Ų9052 Ų5242%0.42125%0.254SS..Hα-helixtrans-61.3-39.8175.1-74.6-179.6-169.500112.4S176 Q183 R184S176-E180 WeakPolarHBondContact O-CB 3.39Å; S176-E180 VanDerWaalsContact O-CG 3.29Å; S176-E180 WeakPolarHBondContact O-CG 3.35Å; S176-E180 PolarHBondContact O-N 3.09Å; E180-Q183 PolarHBondContact O-N 3.46Å; E180-R184 WeakPolarHBondContact O-CG 3.48Å; E180-R184 PolarHBondContact O-N 3.2Å; E180-R184 IonicContact OE2-NH1 3.31Å
181H85.9Confident81.7Confident99 Ų9954.3 Ų54.346%0.45827%0.269SS..Hα-helixtrans-62.3-44.7177-178.960.1000111.8E177 E178 Y179 Q183 R184 I185E177-H181 VanDerWaalsContact O-CB 3.3Å; E177-H181 WeakPolarHBondContact O-CB 3.38Å; E177-H181 PolarHBondContact O-N 3.26Å; E178-H181 PolarHBondContact O-N 3.18Å; Y179-H181 VanDerWaalsContact C-N 3.32Å; Y179-H181 PolarHBondContact O-N 2.98Å; H181-Q183 VanDerWaalsContact C-N 3.35Å; H181-Q183 PolarHBondContact O-N 2.88Å; H181-R184 PolarHBondContact O-N 3.45Å; H181-I185 VanDerWaalsContact NE2-CD1 3.29Å; H181-I185 WeakPolarHBondContact NE2-CD1 2.92Å; H181-I185 WeakPolarHBondContact O-CG1 3.44Å; H181-I185 PolarHBondContact O-N 2.91Å
182T83.5Confident80.6Confident13 Ų1360.5 Ų60.58%0.0830%0.296CS..Hα-helixtrans-62.3-42.9177.1-53.30000111E178 Y179 R184 I185 T186 I602 D605E178-T182 WeakPolarHBondContact O-CB 3.4Å; E178-T182 PolarHBondContact O-N 3.08Å; E178-T182 PolarHBondContact O-OG1 3.38Å; Y179-T182 PolarHBondContact O-N 3.23Å; T182-R184 PolarHBondContact O-N 3Å; T182-I185 PolarHBondContact O-N 2.85Å; T182-T186 WeakPolarHBondContact O-CB 3.46Å; T182-T186 VanDerWaalsContact O-CG2 3.31Å; T182-T186 WeakPolarHBondContact O-CG2 3.3Å; T182-T186 PolarHBondContact O-N 3.02Å; T182-T186 PolarHBondContact O-OG1 2.82Å; T182-I602 HydrophobicContact CG2-CG1 4.25Å; T182-D605 WeakPolarHBondContact CG2-OD2 3.39Å
183Q82.1Confident79.5Confident58 Ų5859.9 Ų59.927%0.27129%0.294SS..Hα-helixtrans-61.5-41.5173.7-73.6-168.5-26.700112.8Y179 E180 H181 T186 L187 I602Y179-Q183 HydrophobicContact CD1-CG 4.42Å; Y179-Q183 VanDerWaalsContact CE1-CD 3.41Å; Y179-Q183 HydrophobicContact CE1-CG 4.13Å; Y179-Q183 VanDerWaalsContact CZ-NE2 3.26Å; Y179-Q183 WeakPolarHBondContact O-CG 3.36Å; Y179-Q183 PolarHBondContact O-N 2.97Å; Y179-Q183 PolarHBondContact OH-NE2 3.42Å; E180-Q183 PolarHBondContact O-N 3.46Å; H181-Q183 VanDerWaalsContact C-N 3.35Å; H181-Q183 PolarHBondContact O-N 2.88Å; Q183-T186 WeakPolarHBondContact CA-OG1 3.39Å; Q183-T186 PolarHBondContact O-OG1 3.48Å; Q183-L187 VanDerWaalsContact O-CB 3.23Å; Q183-L187 WeakPolarHBondContact O-CB 3.47Å; Q183-L187 PolarHBondContact O-N 3.34Å; Q183-I602 HydrophobicContact CG-CD1 4.43Å
184R81.9Confident78.4Confident124 Ų12460 Ų6047%0.46830%0.295SS..Hα-helixtrans-63.4-46.9176.9-75.5-173-62.9-101.7-0.7111.8E180 H181 T182 T186 L187 E188E180-R184 WeakPolarHBondContact O-CG 3.48Å; E180-R184 PolarHBondContact O-N 3.2Å; E180-R184 IonicContact OE2-NH1 3.31Å; H181-R184 PolarHBondContact O-N 3.45Å; T182-R184 PolarHBondContact O-N 3Å; R184-T186 PolarHBondContact O-N 3.44Å; R184-L187 PolarHBondContact O-N 3.48Å; R184-E188 WeakPolarHBondContact O-CG 3.3Å; R184-E188 PolarHBondContact O-N 2.93Å
185I78.8Confident77.2Confident55 Ų5561.8 Ų61.828%0.28231%0.312SS..Hα-helixtrans-59.9-50.3178.7-71.1171.5000110.5H181 T182 L187 E188 L189 W601H181-I185 VanDerWaalsContact NE2-CD1 3.29Å; H181-I185 WeakPolarHBondContact NE2-CD1 2.92Å; H181-I185 WeakPolarHBondContact O-CG1 3.44Å; H181-I185 PolarHBondContact O-N 2.91Å; T182-I185 PolarHBondContact O-N 2.85Å; I185-L187 VanDerWaalsContact C-N 3.3Å; I185-L187 PolarHBondContact O-N 3.17Å; I185-E188 PolarHBondContact O-N 3.29Å; I185-L189 HydrophobicContact CG2-CD1 3.94Å; I185-L189 HydrophobicContact CG2-CG 4.42Å; I185-L189 VanDerWaalsContact O-CG 3.26Å; I185-L189 WeakPolarHBondContact O-CG 3.31Å; I185-L189 PolarHBondContact O-N 2.89Å; I185-W601 HydrophobicContact CG2-CH2 4.08Å
186T73.6Confident76.2Confident6 Ų666.7 Ų66.74%0.03734%0.335CS..Hα-helixtrans-65.1-33.9-178510000112.5T182 Q183 R184 A190 S598 W601 I602T182-T186 WeakPolarHBondContact O-CB 3.46Å; T182-T186 VanDerWaalsContact O-CG2 3.31Å; T182-T186 WeakPolarHBondContact O-CG2 3.3Å; T182-T186 PolarHBondContact O-N 3.02Å; T182-T186 PolarHBondContact O-OG1 2.82Å; Q183-T186 WeakPolarHBondContact CA-OG1 3.39Å; Q183-T186 PolarHBondContact O-OG1 3.48Å; R184-T186 PolarHBondContact O-N 3.44Å; T186-A190 WeakPolarHBondContact O-CB 3.43Å; T186-A190 PolarHBondContact O-N 3.35Å; T186-S598 PolarHBondContact O-OG 2.95Å; T186-W601 HydrophobicContact CG2-CD2 4Å; T186-W601 HydrophobicContact CG2-CE3 3.87Å; T186-W601 HydrophobicContact CG2-CG 4.39Å; T186-W601 HydrophobicContact CG2-CZ3 4.35Å; T186-I602 HydrophobicContact CG2-CD1 4.21Å; T186-I602 HydrophobicContact CG2-CG1 3.71Å; T186-I602 WeakPolarHBondContact OG1-CD1 3.14Å
187L74.2Confident75.4Confident106 Ų10671.2 Ų71.256%0.55536%0.364SS*.Hα-helixtrans-66.3-46.9171179.762.8000112Q183 R184 I185 L189 A190 M191Q183-L187 VanDerWaalsContact O-CB 3.23Å; Q183-L187 WeakPolarHBondContact O-CB 3.47Å; Q183-L187 PolarHBondContact O-N 3.34Å; R184-L187 PolarHBondContact O-N 3.48Å; I185-L187 VanDerWaalsContact C-N 3.3Å; I185-L187 PolarHBondContact O-N 3.17Å; L187-L189 VanDerWaalsContact C-N 3.26Å; L187-L189 PolarHBondContact O-N 3.43Å; L187-A190 WeakPolarHBondContact O-CB 3.34Å; L187-A190 PolarHBondContact O-N 2.89Å; L187-M191 HydrophobicContact CD1-CG 4.36Å; L187-M191 HydrophobicContact CG-SD 4.33Å; L187-M191 WeakPolarHBondContact O-CB 3.29Å; L187-M191 VanDerWaalsContact O-CG 3.32Å; L187-M191 WeakPolarHBondContact O-CG 3.42Å; L187-M191 PolarHBondContact O-N 3.41Å
188E73.5Confident75Confident109 Ų10969.3 Ų69.351%0.50937%0.367SS..Hα-helixtrans-59.1-39.6176.1-76.3-178.6-167.200111.8R184 I185 M191 K192R184-E188 WeakPolarHBondContact O-CG 3.3Å; R184-E188 PolarHBondContact O-N 2.93Å; I185-E188 PolarHBondContact O-N 3.29Å; E188-M191 PolarHBondContact O-N 3.06Å; E188-K192 WeakPolarHBondContact O-CG 3.22Å; E188-K192 PolarHBondContact O-N 2.97Å
189L70.2Confident75Confident17 Ų1771.1 Ų71.19%0.08937%0.374CS..Hα-helixtrans-65.2-46.2174.8-69.2173.3000111.7I185 L187 M191 K192 G193 F213 W601I185-L189 HydrophobicContact CG2-CD1 3.94Å; I185-L189 HydrophobicContact CG2-CG 4.42Å; I185-L189 VanDerWaalsContact O-CG 3.26Å; I185-L189 WeakPolarHBondContact O-CG 3.31Å; I185-L189 PolarHBondContact O-N 2.89Å; L187-L189 VanDerWaalsContact C-N 3.26Å; L187-L189 PolarHBondContact O-N 3.43Å; L189-M191 VanDerWaalsContact C-N 3.3Å; L189-M191 PolarHBondContact O-N 3.01Å; L189-K192 PolarHBondContact O-N 3.48Å; L189-G193 PolarHBondContact O-N 3.17Å; L189-F213 HydrophobicContact CD1-CB 3.6Å; L189-F213 HydrophobicContact CD1-CD1 4.39Å; L189-F213 HydrophobicContact CD1-CG 3.95Å; L189-F213 HydrophobicContact CD2-CB 4.05Å; L189-F213 HydrophobicContact CD2-CD1 3.2Å; L189-F213 HydrophobicContact CD2-CD2 4.14Å; L189-F213 HydrophobicContact CD2-CE1 3.56Å; L189-F213 HydrophobicContact CD2-CE2 4.45Å; L189-F213 HydrophobicContact CD2-CG 3.52Å; L189-F213 HydrophobicContact CD2-CZ 4.18Å; L189-F213 HydrophobicContact CG-CB 4.47Å; L189-F213 HydrophobicContact CG-CD1 4.41Å; L189-F213 HydrophobicContact CG-CG 4.33Å; L189-W601 HydrophobicContact CD1-CE3 4.41Å; L189-W601 HydrophobicContact CD1-CH2 4.22Å; L189-W601 HydrophobicContact CD1-CZ3 3.52Å
190A69.2Low75.1Confident10 Ų1076 Ų768%0.08340%0.395CS..Hα-helixtrans-57.5-44.7173.500000110.8T186 L187 K192 G193 L194 V594T186-A190 WeakPolarHBondContact O-CB 3.43Å; T186-A190 PolarHBondContact O-N 3.35Å; L187-A190 WeakPolarHBondContact O-CB 3.34Å; L187-A190 PolarHBondContact O-N 2.89Å; A190-K192 PolarHBondContact O-N 3.48Å; A190-G193 CarbonylContact O-C 3.51Å; A190-G193 PolarHBondContact O-N 3Å; A190-L194 VanDerWaalsContact O-CB 3.3Å; A190-L194 WeakPolarHBondContact O-CB 3.25Å; A190-L194 WeakPolarHBondContact O-CD1 3.46Å; A190-L194 WeakPolarHBondContact O-CG 3.37Å; A190-L194 PolarHBondContact O-N 3Å; A190-V594 HydrophobicContact CB-CG1 4.48Å
191M68.9Low75.4Confident119 Ų11973.2 Ų73.259%0.58638%0.381SS*.Hα-helixtrans-63.3-41.1177-71.2-17673.900112.9L187 E188 L189 G193 L194 A195L187-M191 HydrophobicContact CD1-CG 4.36Å; L187-M191 HydrophobicContact CG-SD 4.33Å; L187-M191 WeakPolarHBondContact O-CB 3.29Å; L187-M191 VanDerWaalsContact O-CG 3.32Å; L187-M191 WeakPolarHBondContact O-CG 3.42Å; L187-M191 PolarHBondContact O-N 3.41Å; E188-M191 PolarHBondContact O-N 3.06Å; L189-M191 VanDerWaalsContact C-N 3.3Å; L189-M191 PolarHBondContact O-N 3.01Å; M191-G193 VanDerWaalsContact C-N 3.35Å; M191-L194 CarbonylContact O-C 3.47Å; M191-L194 PolarHBondContact O-N 3.4Å; M191-A195 PolarHBondContact O-N 2.94Å; M191-A195 VanDerWaalsContact O-N 3.12Å
192K68.6Low75.6Confident143 Ų14377 Ų7762%0.62240%0.396SS*.Hα-helixtrans-63-40.6173.2-74.9172.1-177.6169.10111.7E188 L189 A190 L194 A195E188-K192 WeakPolarHBondContact O-CG 3.22Å; E188-K192 PolarHBondContact O-N 2.97Å; L189-K192 PolarHBondContact O-N 3.48Å; A190-K192 PolarHBondContact O-N 3.48Å; K192-L194 VanDerWaalsContact C-N 3.33Å; K192-A195 VanDerWaalsContact O-CB 3.27Å; K192-A195 WeakPolarHBondContact O-CB 3.47Å; K192-A195 PolarHBondContact O-N 2.78Å
193G63.7Low76.1Confident16 Ų1683.2 Ų83.217%0.16542%0.418CS..Hα-helixtrans-67.2-31.2173.700000113.6L189 A190 M191 A195L189-G193 PolarHBondContact O-N 3.17Å; A190-G193 CarbonylContact O-C 3.51Å; A190-G193 PolarHBondContact O-N 3Å; M191-G193 VanDerWaalsContact C-N 3.35Å; G193-A195 VanDerWaalsContact C-N 3.32Å
194L60.4Low76.5Confident79 Ų7980.8 Ų80.841%0.41441%0.407SS..THydrogen-bonded Turntrans-82.4-2.9177-70165.9000113.8A190 M191 K192 E196 P197A190-L194 VanDerWaalsContact O-CB 3.3Å; A190-L194 WeakPolarHBondContact O-CB 3.25Å; A190-L194 WeakPolarHBondContact O-CD1 3.46Å; A190-L194 WeakPolarHBondContact O-CG 3.37Å; A190-L194 PolarHBondContact O-N 3Å; M191-L194 CarbonylContact O-C 3.47Å; M191-L194 PolarHBondContact O-N 3.4Å; K192-L194 VanDerWaalsContact C-N 3.33Å; L194-E196 PolarHBondContact O-N 2.82Å; L194-P197 WeakPolarHBondContact O-CD 3.36Å
195A59.8Low76.9Confident79 Ų7979.5 Ų79.565%0.65341%0.406SS*.THydrogen-bonded Turntrans-59.8-16.5179.300000113.5M191 K192 G193M191-A195 PolarHBondContact O-N 2.94Å; M191-A195 VanDerWaalsContact O-N 3.12Å; K192-A195 VanDerWaalsContact O-CB 3.27Å; K192-A195 WeakPolarHBondContact O-CB 3.47Å; K192-A195 PolarHBondContact O-N 2.78Å; G193-A195 VanDerWaalsContact C-N 3.32Å
196E69.4Low77.4Confident106 Ų10679.6 Ų79.650%0.49541%0.407SS..SBendtrans-12886.3169.7-68.6175-139.900110.4L194 G198 K199L194-E196 PolarHBondContact O-N 2.82Å; E196-G198 PolarHBondContact O-N 2.93Å; E196-K199 HydrophobicContact CB-CB 3.96Å; E196-K199 HydrophobicContact CB-CD 4.14Å; E196-K199 VanDerWaalsContact O-CB 3.29Å; E196-K199 WeakPolarHBondContact O-CB 3.33Å; E196-K199 PolarHBondContact O-N 3.02Å; E196-K199 IonicContact OE1-NZ 3.33Å; E196-K199 PolarHBondContact OE1-NZ 2.99Å; E196-K199 WeakPolarHBondContact OE2-CD 3.47Å; E196-K199 WeakPolarHBondContact OE2-CE 3.38Å; E196-K199 IonicContact OE2-NZ 2.65Å; E196-K199 PolarHBondContact OE2-NZ 2.67Å
197P70.3Confident78.1Confident120 Ų12079.4 Ų79.478%0.77941%0.406SS*.THydrogen-bonded Turntrans-56.2131.3-179.7-25.334.6000112L194 K199L194-P197 WeakPolarHBondContact O-CD 3.36Å; P197-K199 VanDerWaalsContact C-N 3.29Å; P197-K199 PolarHBondContact O-N 3.26Å
198G78.6Confident78.6Confident43 Ų4378.1 Ų78.144%0.44340%0.396SS..THydrogen-bonded Turntrans79.70.617800000115.5E196 K200E196-G198 PolarHBondContact O-N 2.93Å; G198-K200 PolarHBondContact O-N 3.16Å; G198-K200 VanDerWaalsContact O-N 3.14Å
199K88.1Confident79Confident93 Ų9376.3 Ų76.340%0.40439%0.39SS..PPolyproline II helixtrans-53.7118.3175.2-174.4-176-162.1146.40111.1E196 P197 N589 V590E196-K199 HydrophobicContact CB-CB 3.96Å; E196-K199 HydrophobicContact CB-CD 4.14Å; E196-K199 VanDerWaalsContact O-CB 3.29Å; E196-K199 WeakPolarHBondContact O-CB 3.33Å; E196-K199 PolarHBondContact O-N 3.02Å; E196-K199 IonicContact OE1-NZ 3.33Å; E196-K199 PolarHBondContact OE1-NZ 2.99Å; E196-K199 WeakPolarHBondContact OE2-CD 3.47Å; E196-K199 WeakPolarHBondContact OE2-CE 3.38Å; E196-K199 IonicContact OE2-NZ 2.65Å; E196-K199 PolarHBondContact OE2-NZ 2.67Å; P197-K199 VanDerWaalsContact C-N 3.29Å; P197-K199 PolarHBondContact O-N 3.26Å; K199-N589 WeakPolarHBondContact O-CB 3.35Å; K199-V590 HydrophobicContact CB-CB 4.37Å; K199-V590 HydrophobicContact CB-CG2 4.3Å; K199-V590 HydrophobicContact CD-CB 4.44Å; K199-V590 HydrophobicContact CD-CG2 4.08Å; K199-V590 HydrophobicContact CG-CG2 4.03Å; K199-V590 WeakPolarHBondContact O-CG2 3.48Å; K199-V590 PolarHBondContact O-N 2.97Å
200K90.3Very high79.2Confident112 Ų11276 Ų7649%0.48739%0.389SS..PPolyproline II helixtrans-86.2147.6177.5-64.4-64.6-174.1170.90111.1G198 N589G198-K200 PolarHBondContact O-N 3.16Å; G198-K200 VanDerWaalsContact O-N 3.14Å; K200-N589 HydrophobicContact CD-CB 4.3Å
201W91.4Very high79.4Confident30 Ų3076.9 Ų76.911%0.11439%0.39CS..PPolyproline II helixtrans-66.2133.1167.6-65.7106.3000109.7D206 M207 V210 L584 P588 V590 T593W201-D206 HydrophobicContact CE3-CB 3.81Å; W201-D206 HydrophobicContact CZ3-CB 3.93Å; W201-D206 WeakPolarHBondContact CZ3-O 3.24Å; W201-M207 HydrophobicContact CB-CE 3.67Å; W201-M207 HydrophobicContact CD2-CE 4.16Å; W201-M207 HydrophobicContact CD2-CG 3.56Å; W201-M207 HydrophobicContact CE3-CG 3.88Å; W201-M207 HydrophobicContact CG-CE 3.45Å; W201-M207 VanDerWaalsContact CG-CE 3.45Å; W201-M207 HydrophobicContact CG-CG 3.89Å; W201-M207 HydrophobicContact CH2-CG 4.46Å; W201-M207 HydrophobicContact CZ2-CG 4.17Å; W201-M207 HydrophobicContact CZ3-CG 4.34Å; W201-V210 HydrophobicContact CH2-CG1 4.35Å; W201-V210 HydrophobicContact CZ2-CG1 4.34Å; W201-L584 HydrophobicContact CB-CD2 4.28Å; W201-P588 VanDerWaalsContact CD1-O 3.32Å; W201-V590 HydrophobicContact CD2-CG2 3.71Å; W201-V590 HydrophobicContact CE3-CG2 4.02Å; W201-V590 HydrophobicContact CG-CG2 4.2Å; W201-V590 HydrophobicContact CH2-CG1 4.25Å; W201-V590 HydrophobicContact CH2-CG2 4.16Å; W201-V590 HydrophobicContact CZ2-CB 4.21Å; W201-V590 HydrophobicContact CZ2-CG1 4.09Å; W201-V590 HydrophobicContact CZ2-CG2 3.88Å; W201-V590 HydrophobicContact CZ3-CG2 4.21Å; W201-T593 HydrophobicContact CZ2-CG2 3.78Å; W201-T593 PolarHBondContact NE1-OG1 3.14Å
202K91.5Very high79.5Confident180 Ų18077.9 Ų77.978%0.78339%0.394SS*.SBendtrans-91.4-30.8177.6-65.8-176.5-180179.80112L584K202-L584 WeakPolarHBondContact O-CD1 3.31Å
203R92.8Very high79.3Confident142 Ų14275.7 Ų75.754%0.53638%0.384SS..  trans-138.9148.6177.8-59.6175.957.1171.6-3.4109.2E205 D206R203-E205 VanDerWaalsContact C-N 3.27Å; R203-E205 IonicContact CZ-OE2 3.98Å; R203-E205 IonicContact NE-OE2 2.68Å; R203-E205 PolarHBondContact NE-OE2 2.94Å; R203-E205 IonicContact NH2-OE2 3.59Å; R203-E205 PolarHBondContact NH2-OE2 2.88Å; R203-E205 PolarHBondContact O-N 3.07Å; R203-D206 PolarHBondContact N-OD2 3.41Å; R203-D206 WeakPolarHBondContact O-CB 3.38Å; R203-D206 PolarHBondContact O-N 2.63Å
204I91.4Very high79.7Confident8 Ų876.9 Ų76.94%0.04139%0.385CS..SBendtrans-65.1-38.3176.5-65.1-177000109.8D206 M207 W227 W559 P561 M580 L584 F587I204-D206 PolarHBondContact O-N 3.23Å; I204-M207 HydrophobicContact CG2-SD 4.47Å; I204-M207 WeakPolarHBondContact O-CB 3.08Å; I204-M207 WeakPolarHBondContact O-CG 3.3Å; I204-M207 PolarHBondContact O-N 3.22Å; I204-W227 HydrophobicContact CD1-CZ2 4.38Å; I204-W559 HydrophobicContact CG2-CH2 4.01Å; I204-W559 HydrophobicContact CG2-CZ2 3.77Å; I204-W559 WeakPolarHBondContact O-CH2 3.24Å; I204-P561 HydrophobicContact CG2-CB 4.42Å; I204-P561 HydrophobicContact CG2-CG 3.66Å; I204-M580 HydrophobicContact CD1-CE 3.37Å; I204-M580 HydrophobicContact CG1-CE 4.39Å; I204-L584 HydrophobicContact CG1-CD2 3.65Å; I204-L584 HydrophobicContact CG1-CG 4.2Å; I204-F587 HydrophobicContact CD1-CE2 4Å; I204-F587 HydrophobicContact CG1-CE2 4.19Å
205E90.1Very high80.2Confident97 Ų9781.9 Ų81.945%0.45340%0.403SS..G310 helixtrans-59.4-30.9179.4-57.677.4-124.200112.8R203 M207 K208R203-E205 VanDerWaalsContact C-N 3.27Å; R203-E205 IonicContact CZ-OE2 3.98Å; R203-E205 IonicContact NE-OE2 2.68Å; R203-E205 PolarHBondContact NE-OE2 2.94Å; R203-E205 IonicContact NH2-OE2 3.59Å; R203-E205 PolarHBondContact NH2-OE2 2.88Å; R203-E205 PolarHBondContact O-N 3.07Å; E205-M207 PolarHBondContact O-N 3.2Å; E205-K208 WeakPolarHBondContact O-CB 3.36Å; E205-K208 PolarHBondContact O-N 3.45Å; E205-K208 VanDerWaalsContact O-N 3.09Å
206D89.3Confident80.4Confident56 Ų5679 Ų7930%0.29938%0.378SS..G310 helixtrans-63.8-23.7178.1-62.6-23.8000111.7W201 R203 I204 K208 N209W201-D206 HydrophobicContact CE3-CB 3.81Å; W201-D206 HydrophobicContact CZ3-CB 3.93Å; W201-D206 WeakPolarHBondContact CZ3-O 3.24Å; R203-D206 PolarHBondContact N-OD2 3.41Å; R203-D206 WeakPolarHBondContact O-CB 3.38Å; R203-D206 PolarHBondContact O-N 2.63Å; I204-D206 PolarHBondContact O-N 3.23Å; D206-K208 PolarHBondContact O-N 2.66Å; D206-N209 VanDerWaalsContact O-CB 3.26Å; D206-N209 WeakPolarHBondContact O-CB 3.32Å; D206-N209 VanDerWaalsContact O-CG 3.25Å; D206-N209 PolarHBondContact O-N 3.41Å; D206-N209 VanDerWaalsContact O-N 3.09Å; D206-N209 PolarHBondContact O-ND2 3.14Å
207M88.6Confident80.9Confident2 Ų276.5 Ų76.51%0.0137%0.37CS..G310 helixtrans-63.5-21.5176.8-62.5176.6176.900112W201 I204 E205 N209 V210 W559 P561 L584 F587W201-M207 HydrophobicContact CB-CE 3.67Å; W201-M207 HydrophobicContact CD2-CE 4.16Å; W201-M207 HydrophobicContact CD2-CG 3.56Å; W201-M207 HydrophobicContact CE3-CG 3.88Å; W201-M207 HydrophobicContact CG-CE 3.45Å; W201-M207 VanDerWaalsContact CG-CE 3.45Å; W201-M207 HydrophobicContact CG-CG 3.89Å; W201-M207 HydrophobicContact CH2-CG 4.46Å; W201-M207 HydrophobicContact CZ2-CG 4.17Å; W201-M207 HydrophobicContact CZ3-CG 4.34Å; I204-M207 HydrophobicContact CG2-SD 4.47Å; I204-M207 WeakPolarHBondContact O-CB 3.08Å; I204-M207 WeakPolarHBondContact O-CG 3.3Å; I204-M207 PolarHBondContact O-N 3.22Å; E205-M207 PolarHBondContact O-N 3.2Å; M207-N209 PolarHBondContact O-N 3.06Å; M207-N209 VanDerWaalsContact O-N 3.09Å; M207-V210 WeakPolarHBondContact O-CG1 3.41Å; M207-V210 WeakPolarHBondContact O-CG2 3.15Å; M207-V210 PolarHBondContact O-N 3.11Å; M207-W559 HydrophobicContact CB-CH2 4.13Å; M207-W559 HydrophobicContact CB-CZ3 3.74Å; M207-P561 HydrophobicContact SD-CG 3.8Å; M207-L584 HydrophobicContact CE-CD2 4.38Å; M207-F587 HydrophobicContact CE-CB 3.89Å; M207-F587 HydrophobicContact CE-CD2 3.54Å; M207-F587 HydrophobicContact CE-CE2 4.28Å; M207-F587 HydrophobicContact CE-CG 3.87Å; M207-F587 HydrophobicContact SD-CD2 4.47Å
208K84.8Confident81.2Confident79 Ų7976.9 Ų76.934%0.34336%0.363SS..G310 helixtrans-62.7-17.9175.3-68.5-168.1175.3-162.10112.3E205 D206 V210 F211 S224 W559E205-K208 WeakPolarHBondContact O-CB 3.36Å; E205-K208 PolarHBondContact O-N 3.45Å; E205-K208 VanDerWaalsContact O-N 3.09Å; D206-K208 PolarHBondContact O-N 2.66Å; K208-V210 PolarHBondContact O-N 2.82Å; K208-V210 VanDerWaalsContact O-N 3.12Å; K208-F211 HydrophobicContact CB-CD2 4.15Å; K208-F211 HydrophobicContact CG-CD2 4.42Å; K208-F211 HydrophobicContact CG-CE2 4.38Å; K208-F211 WeakPolarHBondContact O-CB 3.33Å; K208-F211 WeakPolarHBondContact O-CD2 3.34Å; K208-F211 PolarHBondContact O-N 3.44Å; K208-S224 WeakPolarHBondContact CE-OG 3.45Å; K208-S224 PolarHBondContact NZ-OG 2.88Å; K208-W559 HydrophobicContact CB-CZ3 4.33Å; K208-W559 HydrophobicContact CG-CE3 4.39Å; K208-W559 HydrophobicContact CG-CH2 3.76Å; K208-W559 HydrophobicContact CG-CZ3 3.46Å; K208-W559 VanDerWaalsContact CG-CZ3 3.46Å
209N80.9Confident81.2Confident72 Ų7275 Ų7539%0.38534%0.343SS..G310 helixtrans-61.3-19.6176.5-67.1-40000113.2D206 M207 F211 Q212D206-N209 VanDerWaalsContact O-CB 3.26Å; D206-N209 WeakPolarHBondContact O-CB 3.32Å; D206-N209 VanDerWaalsContact O-CG 3.25Å; D206-N209 PolarHBondContact O-N 3.41Å; D206-N209 VanDerWaalsContact O-N 3.09Å; D206-N209 PolarHBondContact O-ND2 3.14Å; M207-N209 PolarHBondContact O-N 3.06Å; M207-N209 VanDerWaalsContact O-N 3.09Å; N209-F211 PolarHBondContact O-N 2.87Å; N209-Q212 WeakPolarHBondContact O-CB 3.38Å; N209-Q212 WeakPolarHBondContact O-CG 3.29Å; N209-Q212 PolarHBondContact O-N 3.09Å; N209-Q212 PolarHBondContact OD1-NE2 2.85Å; N209-Q212 VanDerWaalsContact OD1-NE2 3.08Å
210V75.6Confident80.9Confident11 Ų1170.7 Ų70.77%0.06732%0.324CS..G310 helixtrans-63.4-23.3172.1-560000112.7W201 M207 K208 Q212 F213 T593 V594 V597W201-V210 HydrophobicContact CH2-CG1 4.35Å; W201-V210 HydrophobicContact CZ2-CG1 4.34Å; M207-V210 WeakPolarHBondContact O-CG1 3.41Å; M207-V210 WeakPolarHBondContact O-CG2 3.15Å; M207-V210 PolarHBondContact O-N 3.11Å; K208-V210 PolarHBondContact O-N 2.82Å; K208-V210 VanDerWaalsContact O-N 3.12Å; V210-Q212 VanDerWaalsContact C-N 3.3Å; V210-Q212 PolarHBondContact O-N 2.95Å; V210-F213 WeakPolarHBondContact O-CD2 3.14Å; V210-T593 HydrophobicContact CG1-CG2 4.01Å; V210-V594 HydrophobicContact CG1-CG2 4.44Å; V210-V597 HydrophobicContact CB-CG1 4.24Å; V210-V597 HydrophobicContact CB-CG2 4.49Å; V210-V597 HydrophobicContact CG2-CG1 4.2Å; V210-V597 HydrophobicContact CG2-CG2 4.28Å
211F73.2Confident80.7Confident27 Ų2769 Ų6912%0.11832%0.318CS..G310 helixtrans-81.6-4.9178.5-55.6-46.9000114K208 N209 F213 T216 F554 S558 W559K208-F211 HydrophobicContact CB-CD2 4.15Å; K208-F211 HydrophobicContact CG-CD2 4.42Å; K208-F211 HydrophobicContact CG-CE2 4.38Å; K208-F211 WeakPolarHBondContact O-CB 3.33Å; K208-F211 WeakPolarHBondContact O-CD2 3.34Å; K208-F211 PolarHBondContact O-N 3.44Å; N209-F211 PolarHBondContact O-N 2.87Å; F211-F213 PolarHBondContact O-N 3.41Å; F211-T216 HydrophobicContact CB-CG2 3.85Å; F211-T216 HydrophobicContact CD1-CG2 3.29Å; F211-T216 HydrophobicContact CD2-CG2 4.04Å; F211-T216 HydrophobicContact CE1-CG2 3.76Å; F211-T216 HydrophobicContact CE2-CG2 4.42Å; F211-T216 HydrophobicContact CG-CG2 3.46Å; F211-T216 VanDerWaalsContact CG-CG2 3.46Å; F211-T216 HydrophobicContact CZ-CG2 4.3Å; F211-F554 HydrophobicContact CD1-CZ 4.47Å; F211-S558 VanDerWaalsContact CE1-OG 3.31Å; F211-S558 WeakPolarHBondContact CE1-OG 3.38Å; F211-W559 AromaticContact CE2-CE3 3.77Å; F211-W559 HydrophobicContact CE2-CE3 3.77Å; F211-W559 HydrophobicContact CE2-CZ3 4.28Å; F211-W559 HydrophobicContact CZ-CB 4.24Å; F211-W559 AromaticContact CZ-CE3 3.98Å; F211-W559 HydrophobicContact CZ-CE3 3.98Å
212Q70.4Confident80.8Confident141 Ų14169 Ų6966%0.65932%0.318SS*.G310 helixtrans-65.4-17.7175.5-67-179.3-2.900112.6N209 V210N209-Q212 WeakPolarHBondContact O-CB 3.38Å; N209-Q212 WeakPolarHBondContact O-CG 3.29Å; N209-Q212 PolarHBondContact O-N 3.09Å; N209-Q212 PolarHBondContact OD1-NE2 2.85Å; N209-Q212 VanDerWaalsContact OD1-NE2 3.08Å; V210-Q212 VanDerWaalsContact C-N 3.3Å; V210-Q212 PolarHBondContact O-N 2.95Å
213F65.1Low80.9Confident96 Ų9660.4 Ų60.442%0.42128%0.281SS..SBendtrans-100.8-24.6-171.2-50-64.7000114.4L189 V210 F211 W601L189-F213 HydrophobicContact CD1-CB 3.6Å; L189-F213 HydrophobicContact CD1-CD1 4.39Å; L189-F213 HydrophobicContact CD1-CG 3.95Å; L189-F213 HydrophobicContact CD2-CB 4.05Å; L189-F213 HydrophobicContact CD2-CD1 3.2Å; L189-F213 HydrophobicContact CD2-CD2 4.14Å; L189-F213 HydrophobicContact CD2-CE1 3.56Å; L189-F213 HydrophobicContact CD2-CE2 4.45Å; L189-F213 HydrophobicContact CD2-CG 3.52Å; L189-F213 HydrophobicContact CD2-CZ 4.18Å; L189-F213 HydrophobicContact CG-CB 4.47Å; L189-F213 HydrophobicContact CG-CD1 4.41Å; L189-F213 HydrophobicContact CG-CG 4.33Å; V210-F213 WeakPolarHBondContact O-CD2 3.14Å; F211-F213 PolarHBondContact O-N 3.41Å; F213-W601 HydrophobicContact CB-CZ3 4.11Å; F213-W601 WeakPolarHBondContact O-CH2 3.15Å
214K72.7Confident80.8Confident41 Ų4154.1 Ų54.118%0.17826%0.259CS..SBendtrans-137.7125.7170.8176.1168.1-176.5163.60107.9T216 F554 W601 D605K214-T216 PolarHBondContact O-N 2.75Å; K214-F554 HydrophobicContact CB-CE1 4.3Å; K214-F554 HydrophobicContact CB-CZ 3.84Å; K214-F554 HydrophobicContact CD-CD1 4.13Å; K214-F554 HydrophobicContact CD-CD2 4.39Å; K214-F554 HydrophobicContact CD-CE1 3.83Å; K214-F554 HydrophobicContact CD-CE2 4.11Å; K214-F554 HydrophobicContact CD-CG 4.39Å; K214-F554 HydrophobicContact CD-CZ 3.83Å; K214-F554 HydrophobicContact CG-CE1 3.89Å; K214-F554 HydrophobicContact CG-CZ 3.92Å; K214-W601 HydrophobicContact CB-CD2 4.06Å; K214-W601 HydrophobicContact CB-CE3 3.98Å; K214-W601 HydrophobicContact CB-CH2 4.03Å; K214-W601 HydrophobicContact CB-CZ2 4.13Å; K214-W601 HydrophobicContact CB-CZ3 3.96Å; K214-W601 HydrophobicContact CD-CB 4.4Å; K214-W601 VanDerWaalsContact CD-CD1 3.49Å; K214-W601 HydrophobicContact CD-CD2 3.61Å; K214-W601 HydrophobicContact CD-CE3 4.37Å; K214-W601 HydrophobicContact CD-CG 3.57Å; K214-W601 HydrophobicContact CD-CZ2 4.24Å; K214-W601 HydrophobicContact CG-CD2 4.43Å; K214-D605 IonicContact NZ-OD1 3.51Å; K214-D605 PolarHBondContact NZ-OD1 3.26Å
215K69.3Low81Confident184 Ų18459.6 Ų59.680%0.828%0.284SS*.PPolyproline II helixtrans-58.8125.1176.7-170.5179179.4-177.10109
216T65.6Low81.3Confident20 Ų2056.4 Ų56.412%0.12327%0.269CS..PPolyproline II helixtrans-65.7140.717436.70000110.4F211 K214 E221F211-T216 HydrophobicContact CB-CG2 3.85Å; F211-T216 HydrophobicContact CD1-CG2 3.29Å; F211-T216 HydrophobicContact CD2-CG2 4.04Å; F211-T216 HydrophobicContact CE1-CG2 3.76Å; F211-T216 HydrophobicContact CE2-CG2 4.42Å; F211-T216 HydrophobicContact CG-CG2 3.46Å; F211-T216 VanDerWaalsContact CG-CG2 3.46Å; F211-T216 HydrophobicContact CZ-CG2 4.3Å; K214-T216 PolarHBondContact O-N 2.75Å; T216-E221 WeakPolarHBondContact OG1-CG 3.46Å; T216-E221 PolarHBondContact OG1-OE1 3.18Å; T216-E221 VanDerWaalsContact OG1-OE1 3.13Å
217T78.4Confident81.6Confident52 Ų5254.9 Ų54.932%0.31926%0.259SS..PPolyproline II helixtrans-73.2167166.4650000109.1P219 G220 E221 D555T217-P219 VanDerWaalsContact C-N 3.35Å; T217-P219 WeakPolarHBondContact OG1-CD 3.34Å; T217-G220 PolarHBondContact O-N 3.49Å; T217-G220 PolarHBondContact OG1-N 3.19Å; T217-E221 PolarHBondContact O-N 2.56Å; T217-D555 WeakPolarHBondContact CG2-OD1 3.13Å; T217-D555 PolarHBondContact OG1-OD1 3.43Å
218M77.8Confident82Confident128 Ų12858.4 Ų58.463%0.63128%0.275SS*.Hα-helixtrans-51.6-47.5172.4-79.3-64.1-55.800112.5G220 E221 Y222M218-G220 VanDerWaalsContact C-N 3.34Å; M218-G220 PolarHBondContact O-N 3.43Å; M218-E221 PolarHBondContact O-N 2.87Å; M218-Y222 WeakPolarHBondContact O-CB 3.33Å; M218-Y222 PolarHBondContact O-N 3.18Å
219P78.1Confident82.7Confident5 Ų558.2 Ų58.23%0.03228%0.275CS..Hα-helixtrans-55-41.6171.6-30.236.3000114.7T217 Y222 V223 D555 I653T217-P219 VanDerWaalsContact C-N 3.35Å; T217-P219 WeakPolarHBondContact OG1-CD 3.34Å; P219-Y222 WeakPolarHBondContact O-CB 3.28Å; P219-Y222 PolarHBondContact O-N 3.31Å; P219-V223 WeakPolarHBondContact O-CG2 3.46Å; P219-V223 PolarHBondContact O-N 3.23Å; P219-D555 HydrophobicContact CB-CB 3.9Å; P219-I653 HydrophobicContact CB-CG2 4.47Å; P219-I653 HydrophobicContact CG-CG2 4.44Å
220G80.8Confident83.5Confident1 Ų156.8 Ų56.81%0.0127%0.268CS..Hα-helixtrans-66.7-40.7179.800000113.9T217 M218 V223 S224 D555T217-G220 PolarHBondContact O-N 3.49Å; T217-G220 PolarHBondContact OG1-N 3.19Å; M218-G220 VanDerWaalsContact C-N 3.34Å; M218-G220 PolarHBondContact O-N 3.43Å; G220-V223 PolarHBondContact O-N 2.99Å; G220-S224 PolarHBondContact O-N 2.76Å; G220-D555 WeakPolarHBondContact CA-O 3.12Å
221E86.7Confident84.5Confident76 Ų7658.3 Ų58.336%0.35528%0.275SS..Hα-helixtrans-62.8-46173.9-68.2177.9-178.700110.5T216 T217 M218 V223 S224 E225T216-E221 WeakPolarHBondContact OG1-CG 3.46Å; T216-E221 PolarHBondContact OG1-OE1 3.18Å; T216-E221 VanDerWaalsContact OG1-OE1 3.13Å; T217-E221 PolarHBondContact O-N 2.56Å; M218-E221 PolarHBondContact O-N 2.87Å; E221-V223 PolarHBondContact O-N 3.02Å; E221-S224 PolarHBondContact O-N 3.36Å; E221-S224 VanDerWaalsContact O-N 3.12Å; E221-S224 PolarHBondContact O-OG 3.38Å; E221-E225 PolarHBondContact O-N 3.49Å
222Y92.9Very high85.7Confident30 Ų3057.3 Ų57.312%0.11827%0.271CS..Hα-helixtrans-56.3-47.4177.5-166.9-77.1000112.2M218 P219 S224 E225 H226 F232 K652 I653M218-Y222 WeakPolarHBondContact O-CB 3.33Å; M218-Y222 PolarHBondContact O-N 3.18Å; P219-Y222 WeakPolarHBondContact O-CB 3.28Å; P219-Y222 PolarHBondContact O-N 3.31Å; Y222-S224 VanDerWaalsContact C-N 3.27Å; Y222-S224 PolarHBondContact O-N 3.14Å; Y222-E225 PolarHBondContact O-N 2.94Å; Y222-E225 VanDerWaalsContact O-N 3.1Å; Y222-H226 HydrophobicContact CD1-CB 3.84Å; Y222-H226 AromaticContact CD1-CD2 3.5Å; Y222-H226 AromaticContact CD1-CG 3.91Å; Y222-H226 AromaticContact CD2-CD2 3.58Å; Y222-H226 AromaticContact CD2-NE2 3.92Å; Y222-H226 HydrophobicContact CE1-CB 3.41Å; Y222-H226 VanDerWaalsContact CE1-CB 3.41Å; Y222-H226 AromaticContact CE1-CD2 3.3Å; Y222-H226 WeakPolarHBondContact CE1-CD2 3.42Å; Y222-H226 AromaticContact CE1-CG 3.4Å; Y222-H226 VanDerWaalsContact CE1-CG 3.4Å; Y222-H226 AromaticContact CE2-CD2 3.43Å; Y222-H226 VanDerWaalsContact CE2-CD2 3.43Å; Y222-H226 WeakPolarHBondContact CE2-CD2 3.34Å; Y222-H226 AromaticContact CE2-NE2 3.54Å; Y222-H226 AromaticContact CG-CD2 3.61Å; Y222-H226 AromaticContact CZ-CD2 3.27Å; Y222-H226 AromaticContact CZ-CG 3.57Å; Y222-H226 AromaticContact CZ-NE2 3.66Å; Y222-H226 WeakPolarHBondContact O-CB 3.23Å; Y222-H226 PolarHBondContact O-CD2 3.32Å; Y222-H226 VanDerWaalsContact O-CD2 3.3Å; Y222-H226 PolarHBondContact O-N 2.79Å; Y222-F232 HydrophobicContact CD1-CD2 4.08Å; Y222-F232 AromaticContact CD1-CE2 3.84Å; Y222-F232 HydrophobicContact CD1-CE2 3.84Å; Y222-F232 HydrophobicContact CD1-CZ 4.13Å; Y222-F232 AromaticContact CE1-CD2 3.64Å; Y222-F232 HydrophobicContact CE1-CD2 3.64Å; Y222-F232 AromaticContact CE1-CE2 3.89Å; Y222-F232 HydrophobicContact CE1-CE2 3.89Å; Y222-F232 HydrophobicContact CE1-CG 4.08Å; Y222-F232 HydrophobicContact CE1-CZ 4.5Å; Y222-K652 HydrophobicContact CE2-CD 3.64Å; Y222-K652 VanDerWaalsContact CE2-CE 3.47Å; Y222-K652 HydrophobicContact CE2-CG 3.87Å; Y222-K652 PolarHBondContact OH-NZ 3.33Å; Y222-I653 HydrophobicContact CD1-CD1 3.38Å; Y222-I653 HydrophobicContact CD1-CG1 3.94Å; Y222-I653 HydrophobicContact CD2-CD1 4.2Å; Y222-I653 HydrophobicContact CD2-CG1 3.84Å; Y222-I653 HydrophobicContact CE1-CD1 3.22Å; Y222-I653 HydrophobicContact CE1-CG1 3.93Å; Y222-I653 HydrophobicContact CE2-CD1 4.02Å; Y222-I653 HydrophobicContact CE2-CG1 3.77Å; Y222-I653 HydrophobicContact CG-CD1 3.91Å; Y222-I653 HydrophobicContact CG-CG1 3.93Å
223V94Very high87.1Confident1 Ų150.8 Ų50.81%0.00624%0.24CC..Hα-helixtrans-56.2-45.4177.9171.90000110.3P219 G220 E221 E225 H226 W227 F232 Y556 W559 N562P219-V223 WeakPolarHBondContact O-CG2 3.46Å; P219-V223 PolarHBondContact O-N 3.23Å; G220-V223 PolarHBondContact O-N 2.99Å; E221-V223 PolarHBondContact O-N 3.02Å; V223-E225 PolarHBondContact O-N 2.79Å; V223-H226 PolarHBondContact O-N 2.92Å; V223-W227 VanDerWaalsContact O-CB 3.29Å; V223-W227 WeakPolarHBondContact O-CB 3.33Å; V223-W227 PolarHBondContact O-N 2.98Å; V223-F232 HydrophobicContact CB-CE1 4.26Å; V223-F232 HydrophobicContact CB-CZ 4.32Å; V223-F232 HydrophobicContact CG1-CE1 4.35Å; V223-F232 HydrophobicContact CG2-CE1 3.94Å; V223-F232 HydrophobicContact CG2-CZ 3.55Å; V223-Y556 HydrophobicContact CG2-CD1 3.76Å; V223-Y556 HydrophobicContact CG2-CE1 4.14Å; V223-Y556 HydrophobicContact CG2-CG 4.39Å; V223-W559 HydrophobicContact CG1-CB 3.86Å; V223-W559 HydrophobicContact CG1-CG 4.31Å; V223-N562 HydrophobicContact CG1-CB 3.76Å
224S92.1Very high88.7Confident10 Ų1046.2 Ų46.27%0.0722%0.22CC..Hα-helixtrans-64.6-23.9-178.484.10000113.9K208 G220 E221 Y222K208-S224 WeakPolarHBondContact CE-OG 3.45Å; K208-S224 PolarHBondContact NZ-OG 2.88Å; G220-S224 PolarHBondContact O-N 2.76Å; E221-S224 PolarHBondContact O-N 3.36Å; E221-S224 VanDerWaalsContact O-N 3.12Å; E221-S224 PolarHBondContact O-OG 3.38Å; Y222-S224 VanDerWaalsContact C-N 3.27Å; Y222-S224 PolarHBondContact O-N 3.14Å
225E93.9Very high89.9Confident123 Ų12346 Ų4658%0.57522%0.219SC*.Hα-helixtrans-93.7-33.6-178.7-67179.6170.600112.4E221 Y222 V223E221-E225 PolarHBondContact O-N 3.49Å; Y222-E225 PolarHBondContact O-N 2.94Å; Y222-E225 VanDerWaalsContact O-N 3.1Å; V223-E225 PolarHBondContact O-N 2.79Å
226H96.8Very high91.3Very high30 Ų3037.3 Ų37.314%0.13918%0.181CC..Hα-helixtrans-114.11.9-168.2-64.3-76.9000114.5Y222 V223 K228 E229 F232Y222-H226 HydrophobicContact CD1-CB 3.84Å; Y222-H226 AromaticContact CD1-CD2 3.5Å; Y222-H226 AromaticContact CD1-CG 3.91Å; Y222-H226 AromaticContact CD2-CD2 3.58Å; Y222-H226 AromaticContact CD2-NE2 3.92Å; Y222-H226 HydrophobicContact CE1-CB 3.41Å; Y222-H226 VanDerWaalsContact CE1-CB 3.41Å; Y222-H226 AromaticContact CE1-CD2 3.3Å; Y222-H226 WeakPolarHBondContact CE1-CD2 3.42Å; Y222-H226 AromaticContact CE1-CG 3.4Å; Y222-H226 VanDerWaalsContact CE1-CG 3.4Å; Y222-H226 AromaticContact CE2-CD2 3.43Å; Y222-H226 VanDerWaalsContact CE2-CD2 3.43Å; Y222-H226 WeakPolarHBondContact CE2-CD2 3.34Å; Y222-H226 AromaticContact CE2-NE2 3.54Å; Y222-H226 AromaticContact CG-CD2 3.61Å; Y222-H226 AromaticContact CZ-CD2 3.27Å; Y222-H226 AromaticContact CZ-CG 3.57Å; Y222-H226 AromaticContact CZ-NE2 3.66Å; Y222-H226 WeakPolarHBondContact O-CB 3.23Å; Y222-H226 PolarHBondContact O-CD2 3.32Å; Y222-H226 VanDerWaalsContact O-CD2 3.3Å; Y222-H226 PolarHBondContact O-N 2.79Å; V223-H226 PolarHBondContact O-N 2.92Å; H226-K228 PolarHBondContact O-N 3.49Å; H226-E229 HydrophobicContact CB-CG 4.48Å; H226-E229 IonicContact CE1-OE1 2.74Å; H226-E229 IonicContact CE1-OE2 3.35Å; H226-E229 IonicContact CG-OE1 2.93Å; H226-E229 IonicContact CG-OE2 3.07Å; H226-E229 IonicContact ND1-OE1 3.96Å; H226-E229 PolarHBondContact ND1-OE1 3.47Å; H226-E229 IonicContact ND1-OE2 2.76Å; H226-E229 PolarHBondContact ND1-OE2 3.01Å; H226-E229 WeakPolarHBondContact O-CB 3.37Å; H226-E229 PolarHBondContact O-N 3.44Å; H226-F232 HydrophobicContact CB-CB 4.38Å; H226-F232 HydrophobicContact CB-CD1 4.18Å; H226-F232 HydrophobicContact CB-CG 4.23Å; H226-F232 WeakPolarHBondContact O-CD1 3.3Å
227W96Very high92.8Very high23 Ų2336.4 Ų36.49%0.08718%0.175CC..THydrogen-bonded Turntrans-55.1-22.9-17971.8-78.9000115.2I204 V223 L348 W559 P561 N562I204-W227 HydrophobicContact CD1-CZ2 4.38Å; V223-W227 VanDerWaalsContact O-CB 3.29Å; V223-W227 WeakPolarHBondContact O-CB 3.33Å; V223-W227 PolarHBondContact O-N 2.98Å; W227-L348 HydrophobicContact CH2-CD1 4.48Å; W227-L348 HydrophobicContact CH2-CD2 4.49Å; W227-L348 HydrophobicContact CZ3-CD2 4.13Å; W227-W559 AromaticContact CD1-CD1 3.89Å; W227-W559 AromaticContact CD1-NE1 3.06Å; W227-W559 AromaticContact CD2-NE1 3.91Å; W227-W559 AromaticContact CE2-NE1 3.95Å; W227-W559 AromaticContact CG-CD1 3.85Å; W227-W559 AromaticContact CG-NE1 3.35Å; W227-W559 AromaticContact NE1-NE1 3.41Å; W227-P561 HydrophobicContact CD2-CB 3.75Å; W227-P561 HydrophobicContact CE3-CB 3.8Å; W227-P561 HydrophobicContact CG-CB 4.47Å; W227-P561 HydrophobicContact CH2-CB 3.8Å; W227-P561 HydrophobicContact CZ2-CB 3.75Å; W227-P561 HydrophobicContact CZ3-CB 3.83Å; W227-P561 WeakPolarHBondContact CZ3-O 3.49Å; W227-N562 HydrophobicContact CB-CB 4.24Å
228K97.5Very high93.8Very high77 Ų7734.2 Ų34.234%0.33516%0.161SC..THydrogen-bonded Turntrans-79.1-20.1176.7-68.7-168.3168.4-161.80113.6H226 E344 L348 K351H226-K228 PolarHBondContact O-N 3.49Å; K228-E344 IonicContact NZ-OE1 3.36Å; K228-E344 PolarHBondContact NZ-OE1 3.37Å; K228-L348 HydrophobicContact CB-CD2 3.99Å; K228-L348 HydrophobicContact CD-CD1 4.1Å; K228-L348 HydrophobicContact CD-CD2 4.45Å; K228-L348 HydrophobicContact CG-CD1 4.29Å; K228-L348 HydrophobicContact CG-CD2 3.83Å; K228-K351 PolarHBondContact O-NZ 3.36Å
229E98.4Very high94.8Very high74 Ų7428.1 Ų28.135%0.34613%0.131SC..  trans-76139.5-173.6-60.5176.8178.900111.3H226 D231 F232 F233H226-E229 HydrophobicContact CB-CG 4.48Å; H226-E229 IonicContact CE1-OE1 2.74Å; H226-E229 IonicContact CE1-OE2 3.35Å; H226-E229 IonicContact CG-OE1 2.93Å; H226-E229 IonicContact CG-OE2 3.07Å; H226-E229 IonicContact ND1-OE1 3.96Å; H226-E229 PolarHBondContact ND1-OE1 3.47Å; H226-E229 IonicContact ND1-OE2 2.76Å; H226-E229 PolarHBondContact ND1-OE2 3.01Å; H226-E229 WeakPolarHBondContact O-CB 3.37Å; H226-E229 PolarHBondContact O-N 3.44Å; E229-D231 WeakPolarHBondContact CB-OD1 3.44Å; E229-F232 HydrophobicContact CB-CB 4.17Å; E229-F233 WeakPolarHBondContact O-CB 3.26Å; E229-F233 PolarHBondContact O-N 3.47Å
230D98.6Very high95.6Very high43 Ų4327.9 Ų27.923%0.2313%0.13CC..Hα-helixtrans-73.9-36.8-177-77.1-17.5000112.5F233 G234 P322 W347 K351D230-F233 WeakPolarHBondContact O-CB 3.29Å; D230-F233 PolarHBondContact O-N 2.91Å; D230-G234 PolarHBondContact O-N 3.18Å; D230-P322 HydrophobicContact CB-CG 3.95Å; D230-P322 WeakPolarHBondContact O-CD 3.31Å; D230-W347 PolarHBondContact OD1-NE1 2.98Å; D230-W347 PolarHBondContact OD2-NE1 2.91Å; D230-W347 VanDerWaalsContact OD2-NE1 3.17Å; D230-K351 WeakPolarHBondContact OD1-CE 3.33Å; D230-K351 IonicContact OD1-NZ 3.12Å; D230-K351 PolarHBondContact OD1-NZ 3.42Å
231D97Very high96.4Very high42 Ų4227.9 Ų27.923%0.22513%0.13CC..Hα-helixtrans-66.7-37.9174.865.6-18.1000112.1E229 G234 Y235 K319 L321E229-D231 WeakPolarHBondContact CB-OD1 3.44Å; D231-G234 PolarHBondContact O-N 3.06Å; D231-Y235 VanDerWaalsContact O-CB 3.24Å; D231-Y235 WeakPolarHBondContact O-CB 3.21Å; D231-Y235 PolarHBondContact O-N 3.42Å; D231-K319 HydrophobicContact CB-CD 3.95Å; D231-K319 IonicContact OD2-NZ 3.67Å; D231-K319 PolarHBondContact OD2-NZ 3.28Å; D231-L321 HydrophobicContact CB-CD2 3.61Å
232F98.1Very high96.9Very high6 Ų624.4 Ų24.43%0.02611%0.113CC..Hα-helixtrans-70.2-36.4173.4-173.9-115.7000112.6Y222 V223 H226 E229 Y235 Q236 Y556 I653Y222-F232 HydrophobicContact CD1-CD2 4.08Å; Y222-F232 AromaticContact CD1-CE2 3.84Å; Y222-F232 HydrophobicContact CD1-CE2 3.84Å; Y222-F232 HydrophobicContact CD1-CZ 4.13Å; Y222-F232 AromaticContact CE1-CD2 3.64Å; Y222-F232 HydrophobicContact CE1-CD2 3.64Å; Y222-F232 AromaticContact CE1-CE2 3.89Å; Y222-F232 HydrophobicContact CE1-CE2 3.89Å; Y222-F232 HydrophobicContact CE1-CG 4.08Å; Y222-F232 HydrophobicContact CE1-CZ 4.5Å; V223-F232 HydrophobicContact CB-CE1 4.26Å; V223-F232 HydrophobicContact CB-CZ 4.32Å; V223-F232 HydrophobicContact CG1-CE1 4.35Å; V223-F232 HydrophobicContact CG2-CE1 3.94Å; V223-F232 HydrophobicContact CG2-CZ 3.55Å; H226-F232 HydrophobicContact CB-CB 4.38Å; H226-F232 HydrophobicContact CB-CD1 4.18Å; H226-F232 HydrophobicContact CB-CG 4.23Å; H226-F232 WeakPolarHBondContact O-CD1 3.3Å; E229-F232 HydrophobicContact CB-CB 4.17Å; F232-Y235 HydrophobicContact CD2-CD1 4.01Å; F232-Y235 AromaticContact CE2-CD1 3.88Å; F232-Y235 HydrophobicContact CE2-CD1 3.88Å; F232-Y235 HydrophobicContact CE2-CE1 4.37Å; F232-Y235 PolarHBondContact O-N 3.22Å; F232-Q236 HydrophobicContact CE1-CG 4.28Å; F232-Q236 VanDerWaalsContact CE1-NE2 3.29Å; F232-Q236 HydrophobicContact CE2-CG 4.25Å; F232-Q236 HydrophobicContact CZ-CG 4.01Å; F232-Q236 WeakPolarHBondContact O-CG 3.23Å; F232-Q236 PolarHBondContact O-N 3.13Å; F232-Q236 PolarHBondContact O-NE2 3.24Å; F232-Y556 HydrophobicContact CE2-CE1 4.21Å; F232-Y556 HydrophobicContact CZ-CD1 4.24Å; F232-Y556 AromaticContact CZ-CE1 3.87Å; F232-Y556 HydrophobicContact CZ-CE1 3.87Å; F232-I653 HydrophobicContact CD2-CD1 3.8Å; F232-I653 HydrophobicContact CE2-CD1 3.54Å
233F98.6Very high97.1Very high4 Ų423 Ų232%0.01811%0.108CC..Hα-helixtrans-58.1-49.1171.6177.7-85.2000111.3E229 D230 Q236 F237 F312 P322 I325 K351 F354 R355E229-F233 WeakPolarHBondContact O-CB 3.26Å; E229-F233 PolarHBondContact O-N 3.47Å; D230-F233 WeakPolarHBondContact O-CB 3.29Å; D230-F233 PolarHBondContact O-N 2.91Å; F233-Q236 PolarHBondContact O-N 3.09Å; F233-F237 HydrophobicContact CD1-CD2 4.46Å; F233-F237 AromaticContact CD1-CE2 3.97Å; F233-F237 HydrophobicContact CD1-CE2 3.97Å; F233-F237 HydrophobicContact CE1-CD2 4.34Å; F233-F237 AromaticContact CE1-CE2 3.54Å; F233-F237 HydrophobicContact CE1-CE2 3.54Å; F233-F237 HydrophobicContact CE1-CZ 4.3Å; F233-F237 HydrophobicContact CE2-CE2 4.48Å; F233-F237 AromaticContact CZ-CE2 3.84Å; F233-F237 HydrophobicContact CZ-CE2 3.84Å; F233-F237 HydrophobicContact CZ-CZ 4.28Å; F233-F237 VanDerWaalsContact O-CD2 3.3Å; F233-F237 WeakPolarHBondContact O-CD2 3.23Å; F233-F312 AromaticContact CD1-CE1 3.86Å; F233-F312 HydrophobicContact CD1-CE1 3.86Å; F233-F312 HydrophobicContact CD1-CZ 4.43Å; F233-F312 AromaticContact CE1-CE1 3.68Å; F233-F312 HydrophobicContact CE1-CE1 3.68Å; F233-F312 AromaticContact CE1-CZ 3.82Å; F233-F312 HydrophobicContact CE1-CZ 3.82Å; F233-P322 HydrophobicContact CB-CG 4.4Å; F233-P322 HydrophobicContact CD1-CB 3.82Å; F233-P322 HydrophobicContact CD1-CG 3.54Å; F233-P322 HydrophobicContact CE1-CB 3.85Å; F233-P322 HydrophobicContact CE1-CG 4.08Å; F233-P322 HydrophobicContact CG-CG 4.22Å; F233-I325 HydrophobicContact CZ-CD1 4.27Å; F233-K351 HydrophobicContact CB-CD 4.25Å; F233-K351 HydrophobicContact CD1-CD 4.43Å; F233-K351 HydrophobicContact CD2-CB 3.87Å; F233-K351 HydrophobicContact CD2-CD 3.63Å; F233-K351 HydrophobicContact CD2-CG 3.88Å; F233-K351 HydrophobicContact CE2-CB 3.46Å; F233-K351 VanDerWaalsContact CE2-CB 3.46Å; F233-K351 HydrophobicContact CE2-CD 3.91Å; F233-K351 HydrophobicContact CE2-CG 3.6Å; F233-K351 HydrophobicContact CG-CD 3.88Å; F233-K351 HydrophobicContact CG-CG 4.45Å; F233-K351 HydrophobicContact CZ-CB 4.25Å; F233-K351 HydrophobicContact CZ-CD 4.48Å; F233-K351 HydrophobicContact CZ-CG 4.04Å; F233-F354 HydrophobicContact CZ-CD1 4.1Å; F233-R355 HydrophobicContact CD2-CG 3.75Å; F233-R355 HydrophobicContact CE2-CG 3.23Å; F233-R355 HydrophobicContact CZ-CG 4.05Å
234G98.4Very high97.3Very high0 Ų023.6 Ų23.60%011%0.111CC..Hα-helixtrans-67.4-39.2177.900000113.2D230 D231 Q236 F237 L320D230-G234 PolarHBondContact O-N 3.18Å; D231-G234 PolarHBondContact O-N 3.06Å; G234-Q236 PolarHBondContact O-N 3.41Å; G234-F237 PolarHBondContact O-N 3.25Å; G234-L320 WeakPolarHBondContact CA-O 3.03Å
235Y98.3Very high97.5Very high37 Ų3724 Ų2415%0.14511%0.114CC..Hα-helixtrans-52.1-39.7175.4174.5-94.3000112.6D231 F232 F237 L238 N239 Y465 I653D231-Y235 VanDerWaalsContact O-CB 3.24Å; D231-Y235 WeakPolarHBondContact O-CB 3.21Å; D231-Y235 PolarHBondContact O-N 3.42Å; F232-Y235 HydrophobicContact CD2-CD1 4.01Å; F232-Y235 AromaticContact CE2-CD1 3.88Å; F232-Y235 HydrophobicContact CE2-CD1 3.88Å; F232-Y235 HydrophobicContact CE2-CE1 4.37Å; F232-Y235 PolarHBondContact O-N 3.22Å; Y235-F237 VanDerWaalsContact C-N 3.25Å; Y235-F237 PolarHBondContact O-N 3.15Å; Y235-L238 PolarHBondContact O-N 3.46Å; Y235-N239 HydrophobicContact CD1-CB 4.21Å; Y235-N239 HydrophobicContact CD2-CB 4.31Å; Y235-N239 VanDerWaalsContact CD2-ND2 3.31Å; Y235-N239 WeakPolarHBondContact CD2-ND2 3.37Å; Y235-N239 HydrophobicContact CE1-CB 3.63Å; Y235-N239 HydrophobicContact CE2-CB 3.74Å; Y235-N239 WeakPolarHBondContact CE2-ND2 3.49Å; Y235-N239 PolarHBondContact O-N 2.97Å; Y235-Y465 HydrophobicContact CE2-CD2 4.46Å; Y235-Y465 HydrophobicContact CE2-CE2 4.09Å; Y235-I653 HydrophobicContact CD1-CD1 4.4Å; Y235-I653 HydrophobicContact CE1-CD1 4.07Å; Y235-I653 HydrophobicContact CE1-CG2 4.46Å
236Q98.4Very high97.7Very high2 Ų218.2 Ų18.21%0.0099%0.086CC..Hα-helixtrans-65.2-24.4-178.9-72179.375.900114F232 F233 G234 L238 G240 Y556 N562F232-Q236 HydrophobicContact CE1-CG 4.28Å; F232-Q236 VanDerWaalsContact CE1-NE2 3.29Å; F232-Q236 HydrophobicContact CE2-CG 4.25Å; F232-Q236 HydrophobicContact CZ-CG 4.01Å; F232-Q236 WeakPolarHBondContact O-CG 3.23Å; F232-Q236 PolarHBondContact O-N 3.13Å; F232-Q236 PolarHBondContact O-NE2 3.24Å; F233-Q236 PolarHBondContact O-N 3.09Å; G234-Q236 PolarHBondContact O-N 3.41Å; Q236-L238 PolarHBondContact O-N 3.38Å; Q236-G240 VanDerWaalsContact O-CA 3.25Å; Q236-G240 WeakPolarHBondContact O-CA 3.46Å; Q236-G240 PolarHBondContact O-N 3.4Å; Q236-Y556 HydrophobicContact CG-CD1 3.89Å; Q236-Y556 HydrophobicContact CG-CE1 3.86Å; Q236-N562 PolarHBondContact NE2-OD1 2.99Å; Q236-N562 PolarHBondContact OE1-ND2 3.38Å; Q236-N562 PolarHBondContact OE1-OD1 3.1Å
237F98.6Very high97.8Very high1 Ų121 Ų210%0.00410%0.098CC..Hα-helixtrans-76-10.1174.6-73.3-88.1000113.3F233 G234 Y235 V245 I246 C285 F312 F354F233-F237 HydrophobicContact CD1-CD2 4.46Å; F233-F237 AromaticContact CD1-CE2 3.97Å; F233-F237 HydrophobicContact CD1-CE2 3.97Å; F233-F237 HydrophobicContact CE1-CD2 4.34Å; F233-F237 AromaticContact CE1-CE2 3.54Å; F233-F237 HydrophobicContact CE1-CE2 3.54Å; F233-F237 HydrophobicContact CE1-CZ 4.3Å; F233-F237 HydrophobicContact CE2-CE2 4.48Å; F233-F237 AromaticContact CZ-CE2 3.84Å; F233-F237 HydrophobicContact CZ-CE2 3.84Å; F233-F237 HydrophobicContact CZ-CZ 4.28Å; F233-F237 VanDerWaalsContact O-CD2 3.3Å; F233-F237 WeakPolarHBondContact O-CD2 3.23Å; G234-F237 PolarHBondContact O-N 3.25Å; Y235-F237 VanDerWaalsContact C-N 3.25Å; Y235-F237 PolarHBondContact O-N 3.15Å; F237-V245 HydrophobicContact CD1-CG2 3.74Å; F237-V245 HydrophobicContact CE1-CG2 4Å; F237-I246 HydrophobicContact CB-CB 4.45Å; F237-I246 HydrophobicContact CB-CD1 4.28Å; F237-C285 HydrophobicContact CE1-CB 4.42Å; F237-F312 HydrophobicContact CD1-CZ 4.4Å; F237-F312 AromaticContact CD2-CE1 3.83Å; F237-F312 HydrophobicContact CD2-CE1 3.83Å; F237-F312 AromaticContact CD2-CZ 3.59Å; F237-F312 HydrophobicContact CD2-CZ 3.59Å; F237-F312 HydrophobicContact CE1-CZ 4.46Å; F237-F312 HydrophobicContact CE2-CE1 4.13Å; F237-F312 AromaticContact CE2-CZ 3.67Å; F237-F312 HydrophobicContact CE2-CZ 3.67Å; F237-F312 HydrophobicContact CG-CE1 4.45Å; F237-F312 AromaticContact CG-CZ 3.98Å; F237-F312 HydrophobicContact CG-CZ 3.98Å; F237-F312 HydrophobicContact CZ-CZ 4.12Å; F237-F354 AromaticContact CE1-CE1 3.87Å; F237-F354 HydrophobicContact CE1-CE1 3.87Å; F237-F354 AromaticContact CZ-CD1 3.84Å; F237-F354 HydrophobicContact CZ-CD1 3.84Å; F237-F354 AromaticContact CZ-CE1 3.59Å; F237-F354 HydrophobicContact CZ-CE1 3.59Å
238L98.5Very high98Very high5 Ų526 Ų263%0.02612%0.117CC..Hα-helixtrans-108.6-39173.6-59179.6000111.8Y235 Q236 P243 I246 L320 I461 F464 Y466Y235-L238 PolarHBondContact O-N 3.46Å; Q236-L238 PolarHBondContact O-N 3.38Å; L238-P243 WeakPolarHBondContact O-CB 3.47Å; L238-I246 HydrophobicContact CD2-CG2 4Å; L238-L320 HydrophobicContact CD1-CB 4.4Å; L238-L320 HydrophobicContact CD1-CD2 4.06Å; L238-L320 HydrophobicContact CD2-CD2 4.35Å; L238-L320 HydrophobicContact CG-CD2 4.01Å; L238-I461 HydrophobicContact CD1-CD1 3.77Å; L238-I461 HydrophobicContact CD1-CG1 4.43Å; L238-I461 HydrophobicContact CD2-CD1 3.93Å; L238-I461 HydrophobicContact CG-CD1 4.47Å; L238-F464 HydrophobicContact CB-CB 4.5Å; L238-F464 HydrophobicContact CB-CD2 3.66Å; L238-F464 HydrophobicContact CB-CE2 4.12Å; L238-F464 HydrophobicContact CB-CG 4.22Å; L238-F464 HydrophobicContact CD1-CB 4.48Å; L238-F464 HydrophobicContact CD2-CB 4.46Å; L238-F464 HydrophobicContact CD2-CD1 4.09Å; L238-F464 HydrophobicContact CD2-CD2 3.96Å; L238-F464 HydrophobicContact CD2-CE1 4.28Å; L238-F464 HydrophobicContact CD2-CE2 4.13Å; L238-F464 HydrophobicContact CD2-CG 3.93Å; L238-F464 HydrophobicContact CD2-CZ 4.28Å; L238-F464 HydrophobicContact CG-CD2 4.36Å; L238-F464 WeakPolarHBondContact O-CD2 3.46Å; L238-F464 WeakPolarHBondContact O-CE2 3.45Å; L238-Y466 WeakPolarHBondContact O-CB 3.38Å
239N98.2Very high98Very high0 Ų022.6 Ų22.60%010%0.102CC..Hα-helixtrans-131.43.9-165.6-54.6-58.2000113.8Y235 N463 Y465 Y556 Y655Y235-N239 HydrophobicContact CD1-CB 4.21Å; Y235-N239 HydrophobicContact CD2-CB 4.31Å; Y235-N239 VanDerWaalsContact CD2-ND2 3.31Å; Y235-N239 WeakPolarHBondContact CD2-ND2 3.37Å; Y235-N239 HydrophobicContact CE1-CB 3.63Å; Y235-N239 HydrophobicContact CE2-CB 3.74Å; Y235-N239 WeakPolarHBondContact CE2-ND2 3.49Å; Y235-N239 PolarHBondContact O-N 2.97Å; N239-N463 PolarHBondContact ND2-O 3.41Å; N239-Y465 WeakPolarHBondContact OD1-CB 3.49Å; N239-Y465 PolarHBondContact OD1-N 3.47Å; N239-Y556 PolarHBondContact O-OH 3.14Å; N239-Y655 HydrophobicContact CB-CD2 4.07Å
240G96.6Very high97.9Very high0 Ų023.5 Ų23.50%012%0.117CC..SBendtrans-82.1-158.8171.500000112Q236 N242Q236-G240 VanDerWaalsContact O-CA 3.25Å; Q236-G240 WeakPolarHBondContact O-CA 3.46Å; Q236-G240 PolarHBondContact O-N 3.4Å; G240-N242 VanDerWaalsContact C-N 3.31Å; G240-N242 PolarHBondContact O-N 3.05Å
241T95.9Very high97.9Very high2 Ų229.6 Ų29.61%0.01214%0.142CC..SBendtrans-76.7-16.2-177.858.30000113.8H362 G552 Y556 N557T241-H362 PolarHBondContact O-CD2 3.33Å; T241-H362 PolarHBondContact O-NE2 2.91Å; T241-G552 VanDerWaalsContact CG2-C 3.45Å; T241-G552 WeakPolarHBondContact CG2-O 3.17Å; T241-Y556 HydrophobicContact CG2-CD2 3.95Å; T241-Y556 HydrophobicContact CG2-CG 4.34Å; T241-N557 PolarHBondContact OG1-ND2 3.01Å
242N97.9Very high98Very high2 Ų229.2 Ų29.21%0.01114%0.139CC..  trans-127.873.1-178.8-16518000114.1G240 N244 V245 D358 H362 Y366G240-N242 VanDerWaalsContact C-N 3.31Å; G240-N242 PolarHBondContact O-N 3.05Å; N242-N244 PolarHBondContact O-N 2.94Å; N242-N244 VanDerWaalsContact O-N 3.14Å; N242-N244 PolarHBondContact OD1-ND2 3.45Å; N242-V245 WeakPolarHBondContact ND2-CG1 3.39Å; N242-D358 PolarHBondContact ND2-OD1 3.43Å; N242-D358 PolarHBondContact ND2-OD2 2.82Å; N242-H362 HydrophobicContact CB-CB 3.89Å; N242-Y366 WeakPolarHBondContact OD1-CD2 3.32Å
243P97.6Very high98Very high0 Ų030 Ų300%015%0.145CC..THydrogen-bonded Turntrans-78.214.5176.933.6-36.8000114.1L238 R456 F464 Y466L238-P243 WeakPolarHBondContact O-CB 3.47Å; P243-R456 PolarHBondContact O-NH1 3.33Å; P243-R456 PolarHBondContact O-NH2 3.18Å; P243-F464 HydrophobicContact CB-CE2 3.96Å; P243-F464 HydrophobicContact CB-CZ 4.42Å; P243-Y466 HydrophobicContact CB-CD1 3.59Å; P243-Y466 HydrophobicContact CB-CD2 4.4Å; P243-Y466 HydrophobicContact CB-CE1 4.12Å; P243-Y466 HydrophobicContact CB-CG 3.73Å; P243-Y466 HydrophobicContact CG-CD1 3.65Å; P243-Y466 HydrophobicContact CG-CD2 3.68Å; P243-Y466 HydrophobicContact CG-CE1 3.88Å; P243-Y466 HydrophobicContact CG-CE2 3.9Å; P243-Y466 HydrophobicContact CG-CG 3.52Å
244N97.6Very high97.9Very high14 Ų1436.1 Ų36.18%0.07519%0.185CC..THydrogen-bonded Turntrans-98.3-12.6-165.3-55.7-70.9000114.7N242 Y366 R456 Q545N242-N244 PolarHBondContact O-N 2.94Å; N242-N244 VanDerWaalsContact O-N 3.14Å; N242-N244 PolarHBondContact OD1-ND2 3.45Å; N244-Y366 HydrophobicContact CB-CD1 3.48Å; N244-Y366 VanDerWaalsContact CB-CD1 3.48Å; N244-Y366 HydrophobicContact CB-CD2 4.17Å; N244-Y366 HydrophobicContact CB-CE1 3.42Å; N244-Y366 VanDerWaalsContact CB-CE1 3.42Å; N244-Y366 HydrophobicContact CB-CE2 4.14Å; N244-Y366 HydrophobicContact CB-CG 3.86Å; N244-R456 PolarHBondContact O-NH1 2.99Å; N244-R456 VanDerWaalsContact O-NH1 3.11Å; N244-Q545 PolarHBondContact OD1-NE2 2.76Å
245V97.1Very high97.9Very high20 Ų2037.7 Ų37.712%0.12119%0.194CC..SBendtrans-104-26.5-165.1-64.60000115.1F237 N242 C285 D358 Y366F237-V245 HydrophobicContact CD1-CG2 3.74Å; F237-V245 HydrophobicContact CE1-CG2 4Å; N242-V245 WeakPolarHBondContact ND2-CG1 3.39Å; V245-C285 WeakPolarHBondContact CG2-SG 3.2Å; V245-D358 WeakPolarHBondContact CG2-OD1 3.47Å; V245-Y366 HydrophobicContact CG1-CE2 3.54Å
246I98.4Very high97.9Very high0 Ų036 Ų360%019%0.187CC..  trans-74.4144.8-177.1-167.2167.2000111.1F237 L238 F283 F312 L320 R456 L458F237-I246 HydrophobicContact CB-CB 4.45Å; F237-I246 HydrophobicContact CB-CD1 4.28Å; L238-I246 HydrophobicContact CD2-CG2 4Å; I246-F283 HydrophobicContact CD1-CB 3.81Å; I246-F283 HydrophobicContact CD1-CG 4.4Å; I246-F283 HydrophobicContact CG1-CB 3.91Å; I246-F312 HydrophobicContact CD1-CD2 4.17Å; I246-F312 HydrophobicContact CD1-CE2 4.49Å; I246-F312 HydrophobicContact CD1-CG 4.42Å; I246-L320 HydrophobicContact CD1-CD1 4.45Å; I246-L320 HydrophobicContact CD1-CD2 3.35Å; I246-L320 HydrophobicContact CD1-CG 4.45Å; I246-R456 WeakPolarHBondContact O-CD 3.4Å; I246-R456 PolarHBondContact O-NH1 3.23Å; I246-L458 HydrophobicContact CG2-CD1 4.1Å; I246-L458 WeakPolarHBondContact O-CD1 3.44Å
247K98.6Very high97.9Very high89 Ų8939 Ų3939%0.38721%0.207SC..EExtended strand (participates in β ladder)trans-143.8155.5173.461.8-177.1178.1-171.80111.1F283 L284 R456K247-F283 CarbonylContact O-C 3.55Å; K247-F283 VanDerWaalsContact O-CA 3.29Å; K247-F283 WeakPolarHBondContact O-CA 3.44Å; K247-F283 WeakPolarHBondContact O-CB 3.46Å; K247-L284 WeakPolarHBondContact CG-O 3.48Å; K247-L284 PolarHBondContact N-O 3.49Å; K247-L284 PolarHBondContact O-N 2.85Å; K247-R456 CarbonylContact C-O 3.6Å; K247-R456 WeakPolarHBondContact CA-O 3.17Å; K247-R456 HydrophobicContact CB-CB 4.03Å; K247-R456 HydrophobicContact CB-CG 4.31Å
248R98.6Very high97.9Very high128 Ų12839.5 Ų39.548%0.48321%0.21SC..EExtended strand (participates in β ladder)trans-62.8137.6171.4-171179.368.8169.3-0.2110.1F283 R456R248-F283 HydrophobicContact CB-CD1 4.18Å; R248-F283 HydrophobicContact CB-CE1 4.09Å; R248-F283 HydrophobicContact CG-CE1 4.37Å; R248-R456 PolarHBondContact N-O 3.15Å
249C98.5Very high97.9Very high5 Ų542 Ų423%0.03423%0.226CC..  trans-110.6105.2-179.3-171.40000109.7K251 M277 I282 L284C249-K251 PolarHBondContact SG-O 3.47Å; C249-K251 VanDerWaalsContact SG-O 3.38Å; C249-M277 WeakPolarHBondContact O-CG 3.19Å; C249-I282 HydrophobicContact CB-CG2 4.01Å; C249-I282 PolarHBondContact N-O 2.94Å; C249-L284 HydrophobicContact CB-CB 3.84Å
250S97.2Very high97.9Very high94 Ų9443 Ų4366%0.65723%0.231SC*.SBendtrans-90.9-11.3173.5600000113
251K97.8Very high97.9Very high171 Ų17149.8 Ų49.874%0.74326%0.262SS*.SBendtrans-159.2130.3179.7-175.6176.11801770109.8C249C249-K251 PolarHBondContact SG-O 3.47Å; C249-K251 VanDerWaalsContact SG-O 3.38Å
252L98.3Very high98.1Very high33 Ų3352 Ų5217%0.17327%0.273CS..  trans-63.7138.7175.2-67.3177.4000112V258 L273 M277 L311L252-V258 HydrophobicContact CD1-CB 3.99Å; L252-V258 WeakPolarHBondContact CD1-O 3.43Å; L252-L273 HydrophobicContact CD1-CD2 3.86Å; L252-M277 HydrophobicContact CD2-SD 4.47Å; L252-M277 HydrophobicContact CG-CE 4.45Å; L252-M277 HydrophobicContact CG-SD 4.05Å; L252-L311 HydrophobicContact CD2-CD1 3.61Å; L252-L311 HydrophobicContact CD2-CD2 4.1Å
253P98.1Very high98.1Very high24 Ų2451.9 Ų51.916%0.15627%0.273CS..  trans-59.3141.4167.5-21.633000111N255 F256 L284 L309P253-N255 VanDerWaalsContact CB-OD1 3.23Å; P253-N255 WeakPolarHBondContact CB-OD1 3.28Å; P253-N255 PolarHBondContact O-N 3.33Å; P253-N255 VanDerWaalsContact O-N 3.13Å; P253-F256 HydrophobicContact CB-CB 4.43Å; P253-F256 PolarHBondContact O-N 3.11Å; P253-L284 HydrophobicContact CG-CD2 3.61Å; P253-L309 HydrophobicContact CB-CD2 4.32Å; P253-L309 HydrophobicContact CG-CD2 3.97Å
254P97.5Very high98.1Very high132 Ų13257.6 Ų57.686%0.85730%0.298SS*.THydrogen-bonded Turntrans-63.8-22.4-177.926.7-35.1000113.3F256P254-F256 VanDerWaalsContact C-N 3.28Å
255N98.3Very high98.1Very high32 Ų3261.5 Ų61.517%0.17132%0.324CS..THydrogen-bonded Turntrans-87.28.3176.466.2-58.4000113.5P253 Q326 Q329P253-N255 VanDerWaalsContact CB-OD1 3.23Å; P253-N255 WeakPolarHBondContact CB-OD1 3.28Å; P253-N255 PolarHBondContact O-N 3.33Å; P253-N255 VanDerWaalsContact O-N 3.13Å; N255-Q326 PolarHBondContact O-NE2 2.84Å; N255-Q329 WeakPolarHBondContact CB-O 3.45Å; N255-Q329 PolarHBondContact ND2-O 2.97Å; N255-Q329 PolarHBondContact ND2-OE1 2.99Å; N255-Q329 VanDerWaalsContact ND2-OE1 3.14Å
256F98.5Very high98.1Very high1 Ų162.9 Ų62.90%0.00433%0.328CS..  trans-128.978.9175.4-168.5-158.7000110.3P253 P254 V258 L284 L309 L311 A324 Q326 I337P253-F256 HydrophobicContact CB-CB 4.43Å; P253-F256 PolarHBondContact O-N 3.11Å; P254-F256 VanDerWaalsContact C-N 3.28Å; F256-V258 HydrophobicContact CD1-CG2 4.23Å; F256-V258 HydrophobicContact CD2-CG2 3.7Å; F256-V258 HydrophobicContact CE1-CG2 4.02Å; F256-V258 HydrophobicContact CE2-CG2 3.42Å; F256-V258 VanDerWaalsContact CE2-CG2 3.42Å; F256-V258 HydrophobicContact CG-CG2 4.09Å; F256-V258 HydrophobicContact CZ-CG2 3.61Å; F256-V258 PolarHBondContact O-N 2.85Å; F256-L284 HydrophobicContact CD1-CD1 4Å; F256-L284 HydrophobicContact CE1-CD1 3.94Å; F256-L309 HydrophobicContact CB-CD1 4.39Å; F256-L309 HydrophobicContact CB-CD2 4.03Å; F256-L309 HydrophobicContact CD1-CB 3.6Å; F256-L309 HydrophobicContact CD1-CD2 4.09Å; F256-L309 HydrophobicContact CD1-CG 4.38Å; F256-L309 HydrophobicContact CD2-CB 4.32Å; F256-L309 HydrophobicContact CE1-CB 3.67Å; F256-L309 HydrophobicContact CE2-CB 4.41Å; F256-L309 HydrophobicContact CG-CB 3.94Å; F256-L309 HydrophobicContact CG-CD1 4.48Å; F256-L309 HydrophobicContact CG-CD2 4.27Å; F256-L309 HydrophobicContact CG-CG 4.46Å; F256-L309 HydrophobicContact CZ-CB 4.09Å; F256-L311 HydrophobicContact CE1-CB 3.9Å; F256-L311 HydrophobicContact CZ-CB 4.22Å; F256-A324 HydrophobicContact CE2-CB 4.48Å; F256-A324 HydrophobicContact CZ-CB 4.01Å; F256-Q326 HydrophobicContact CD2-CB 3.8Å; F256-Q326 HydrophobicContact CE2-CB 3.59Å; F256-I337 HydrophobicContact CD2-CD1 4.24Å; F256-I337 HydrophobicContact CD2-CG1 4.38Å; F256-I337 HydrophobicContact CE2-CD1 4.31Å; F256-I337 HydrophobicContact CE2-CG1 4.18Å; F256-I337 HydrophobicContact CE2-CG2 4.24Å
257P98.1Very high98.1Very high66 Ų6663.7 Ų63.743%0.42933%0.333SS..  trans-79.556.6-169.134.4-37.5000112.6P331 I337P257-P331 HydrophobicContact CG-CB 3.87Å; P257-P331 HydrophobicContact CG-CG 4.35Å; P257-I337 HydrophobicContact CG-CD1 4.07Å
258V98.6Very high98Very high11 Ų1164.2 Ų64.27%0.06734%0.336CS..  trans-70.4130.7170.4-178.60000108.8L252 F256 V263 L273 L311 A324 I337L252-V258 HydrophobicContact CD1-CB 3.99Å; L252-V258 WeakPolarHBondContact CD1-O 3.43Å; F256-V258 HydrophobicContact CD1-CG2 4.23Å; F256-V258 HydrophobicContact CD2-CG2 3.7Å; F256-V258 HydrophobicContact CE1-CG2 4.02Å; F256-V258 HydrophobicContact CE2-CG2 3.42Å; F256-V258 VanDerWaalsContact CE2-CG2 3.42Å; F256-V258 HydrophobicContact CG-CG2 4.09Å; F256-V258 HydrophobicContact CZ-CG2 3.61Å; F256-V258 PolarHBondContact O-N 2.85Å; V258-V263 HydrophobicContact CG1-CG1 3.48Å; V258-V263 VanDerWaalsContact CG1-CG1 3.48Å; V258-V263 HydrophobicContact CG1-CG2 4.41Å; V258-L273 HydrophobicContact CG1-CD2 3.98Å; V258-L311 HydrophobicContact CG1-CD2 4.09Å; V258-L311 HydrophobicContact CG2-CD2 4.49Å; V258-A324 HydrophobicContact CG1-CB 4.34Å; V258-A324 HydrophobicContact CG2-CB 3.86Å; V258-I337 HydrophobicContact CG2-CD1 4.12Å; V258-I337 HydrophobicContact CG2-CG2 4.36Å
259T98.3Very high97.7Very high58 Ų5864.6 Ų64.636%0.35635%0.353SS..  trans-106.7162.6177.382.80000111.6E261 M262T259-E261 VanDerWaalsContact C-N 3.26Å; T259-E261 VanDerWaalsContact CB-OE2 3.22Å; T259-E261 WeakPolarHBondContact CB-OE2 3.34Å; T259-E261 PolarHBondContact O-N 3.49Å; T259-E261 PolarHBondContact OG1-N 2.96Å; T259-E261 PolarHBondContact OG1-OE2 2.85Å; T259-M262 HydrophobicContact CG2-SD 4.36Å; T259-M262 WeakPolarHBondContact O-CB 3.48Å; T259-M262 PolarHBondContact O-N 3.47Å; T259-M262 WeakPolarHBondContact OG1-CG 3.39Å; T259-M262 PolarHBondContact OG1-N 3.24Å
260D97.8Very high97.5Very high22 Ų2268 Ų6812%0.11839%0.389CS..Hα-helixtrans-54-45.7173.8-173.869.2000110.8M262 V263 K264 T272 L273D260-M262 PolarHBondContact O-N 3.14Å; D260-V263 PolarHBondContact O-N 2.95Å; D260-V263 VanDerWaalsContact O-N 3.13Å; D260-K264 WeakPolarHBondContact O-CB 3.43Å; D260-K264 PolarHBondContact O-N 3.38Å; D260-K264 IonicContact OD2-NZ 3.86Å; D260-T272 WeakPolarHBondContact OD1-CA 3.39Å; D260-T272 VanDerWaalsContact OD1-CB 3.29Å; D260-T272 WeakPolarHBondContact OD1-CB 3.36Å; D260-L273 PolarHBondContact OD1-N 3.48Å
261E98.2Very high97.5Very high141 Ų14164 Ų6466%0.65936%0.361SS*.Hα-helixtrans-59.6-34.1-178.4-59.877.3-168.500112.9T259T259-E261 VanDerWaalsContact C-N 3.26Å; T259-E261 VanDerWaalsContact CB-OE2 3.22Å; T259-E261 WeakPolarHBondContact CB-OE2 3.34Å; T259-E261 PolarHBondContact O-N 3.49Å; T259-E261 PolarHBondContact OG1-N 2.96Å; T259-E261 PolarHBondContact OG1-OE2 2.85Å
262M98.5Very high97.6Very high48 Ų4858.4 Ų58.424%0.23634%0.341CS..Hα-helixtrans-67.1-38.7179.8-65-179.18900112T259 D260 F266 I337 L339T259-M262 HydrophobicContact CG2-SD 4.36Å; T259-M262 WeakPolarHBondContact O-CB 3.48Å; T259-M262 PolarHBondContact O-N 3.47Å; T259-M262 WeakPolarHBondContact OG1-CG 3.39Å; T259-M262 PolarHBondContact OG1-N 3.24Å; D260-M262 PolarHBondContact O-N 3.14Å; M262-F266 WeakPolarHBondContact O-CE2 3.48Å; M262-I337 HydrophobicContact CE-CB 3.7Å; M262-I337 HydrophobicContact CE-CD1 4.09Å; M262-I337 HydrophobicContact CE-CG1 4.47Å; M262-I337 HydrophobicContact CE-CG2 3.79Å; M262-I337 HydrophobicContact SD-CD1 4.26Å; M262-L339 HydrophobicContact CB-CD1 4.01Å; M262-L339 HydrophobicContact CB-CD2 4.19Å; M262-L339 HydrophobicContact CE-CD1 4.18Å; M262-L339 HydrophobicContact CE-CD2 4.44Å
263V98.4Very high97.6Very high0 Ų056.9 Ų56.90%033%0.333CS..Hα-helixtrans-108.8-13.6-169.7-62.10000114.2V258 D260 P265 F266 L267 L273 I323 A324V258-V263 HydrophobicContact CG1-CG1 3.48Å; V258-V263 VanDerWaalsContact CG1-CG1 3.48Å; V258-V263 HydrophobicContact CG1-CG2 4.41Å; D260-V263 PolarHBondContact O-N 2.95Å; D260-V263 VanDerWaalsContact O-N 3.13Å; V263-P265 VanDerWaalsContact C-N 3.27Å; V263-P265 VanDerWaalsContact O-N 3.12Å; V263-F266 HydrophobicContact CB-CD2 4.41Å; V263-F266 WeakPolarHBondContact O-CA 3.47Å; V263-F266 WeakPolarHBondContact O-CB 3.37Å; V263-F266 WeakPolarHBondContact O-CD2 3.37Å; V263-F266 PolarHBondContact O-N 3.05Å; V263-L267 HydrophobicContact CG2-CD1 4.05Å; V263-L267 HydrophobicContact CG2-CG 4.41Å; V263-L267 PolarHBondContact O-N 2.9Å; V263-L273 HydrophobicContact CG2-CB 4.04Å; V263-L273 HydrophobicContact CG2-CD1 4.13Å; V263-L273 HydrophobicContact CG2-CD2 3.89Å; V263-L273 HydrophobicContact CG2-CG 4.23Å; V263-I323 HydrophobicContact CB-CD1 4.06Å; V263-I323 HydrophobicContact CG1-CB 4.37Å; V263-I323 HydrophobicContact CG1-CD1 4.01Å; V263-I323 HydrophobicContact CG1-CG1 4.35Å; V263-A324 HydrophobicContact CG1-CB 4.43Å
264K97.9Very high97.6Very high121 Ų12160.2 Ų60.253%0.52635%0.346SS..G310 helixtrans-47.1-38.5177.8-176.1172.6-158.7146.90114.9D260 F266 L267D260-K264 WeakPolarHBondContact O-CB 3.43Å; D260-K264 PolarHBondContact O-N 3.38Å; D260-K264 IonicContact OD2-NZ 3.86Å; K264-F266 PolarHBondContact O-N 3.14Å; K264-F266 VanDerWaalsContact O-N 3.15Å; K264-L267 PolarHBondContact O-N 3.4Å
265P97.8Very high97.6Very high96 Ų9658.2 Ų58.262%0.62332%0.324SS*.G310 helixtrans-62.9-16.7175.7-23.835.9000114.9V263V263-P265 VanDerWaalsContact C-N 3.27Å; V263-P265 VanDerWaalsContact O-N 3.12Å
266F97.6Very high97.6Very high49 Ų4957 Ų5722%0.21532%0.317CS..G310 helixtrans-109.5-4.1-175.8-40.7-60000113.3M262 V263 K264 Y313 I323 L339 P340M262-F266 WeakPolarHBondContact O-CE2 3.48Å; V263-F266 HydrophobicContact CB-CD2 4.41Å; V263-F266 WeakPolarHBondContact O-CA 3.47Å; V263-F266 WeakPolarHBondContact O-CB 3.37Å; V263-F266 WeakPolarHBondContact O-CD2 3.37Å; V263-F266 PolarHBondContact O-N 3.05Å; K264-F266 PolarHBondContact O-N 3.14Å; K264-F266 VanDerWaalsContact O-N 3.15Å; F266-Y313 VanDerWaalsContact O-CD1 3.31Å; F266-Y313 WeakPolarHBondContact O-CD1 3.44Å; F266-I323 HydrophobicContact CB-CB 4.39Å; F266-I323 HydrophobicContact CB-CG2 3.66Å; F266-I323 HydrophobicContact CD2-CB 4.25Å; F266-I323 HydrophobicContact CD2-CG2 4.38Å; F266-I323 HydrophobicContact CG-CG2 4.29Å; F266-L339 HydrophobicContact CE2-CB 4.25Å; F266-L339 HydrophobicContact CZ-CB 4.38Å; F266-P340 HydrophobicContact CD1-CB 4.22Å; F266-P340 HydrophobicContact CD1-CG 4.24Å; F266-P340 HydrophobicContact CD2-CG 4.35Å; F266-P340 HydrophobicContact CE1-CB 3.71Å; F266-P340 HydrophobicContact CE1-CG 4.02Å; F266-P340 HydrophobicContact CE2-CG 4.16Å; F266-P340 HydrophobicContact CG-CG 4.4Å; F266-P340 HydrophobicContact CZ-CB 3.92Å; F266-P340 HydrophobicContact CZ-CG 3.99Å
267L97.8Very high97.6Very high17 Ų1757.9 Ų57.99%0.08932%0.322CS..SBendtrans-95.5163.8176.7-56.2-177.4000110.9V263 K264 T271 L273 E276 I282 Y313 I323V263-L267 HydrophobicContact CG2-CD1 4.05Å; V263-L267 HydrophobicContact CG2-CG 4.41Å; V263-L267 PolarHBondContact O-N 2.9Å; K264-L267 PolarHBondContact O-N 3.4Å; L267-T271 HydrophobicContact CB-CG2 3.55Å; L267-T271 HydrophobicContact CD1-CG2 4.11Å; L267-T271 HydrophobicContact CG-CG2 4.43Å; L267-L273 HydrophobicContact CD1-CB 4.29Å; L267-E276 HydrophobicContact CD1-CG 4.26Å; L267-E276 HydrophobicContact CD2-CG 4.35Å; L267-I282 HydrophobicContact CD2-CD1 4.28Å; L267-Y313 HydrophobicContact CD2-CD1 3.97Å; L267-Y313 HydrophobicContact CD2-CD2 3.9Å; L267-Y313 HydrophobicContact CD2-CE1 4.29Å; L267-Y313 HydrophobicContact CD2-CE2 4.23Å; L267-Y313 HydrophobicContact CD2-CG 3.76Å; L267-I323 HydrophobicContact CD2-CD1 4.2Å
268E95.6Very high97.6Very high99 Ų9962.8 Ų62.846%0.46334%0.339SS..PPolyproline II helixtrans-59.3144.5174.3-173.258.5-153.600111.7G270 T271 Y313 P316E268-G270 PolarHBondContact O-N 2.88Å; E268-T271 HydrophobicContact CB-CG2 4.41Å; E268-T271 WeakPolarHBondContact O-CG2 3.39Å; E268-T271 PolarHBondContact O-N 3.36Å; E268-Y313 WeakPolarHBondContact CB-OH 3.19Å; E268-Y313 PolarHBondContact N-OH 3.47Å; E268-P316 HydrophobicContact CG-CG 4.33Å; E268-P316 WeakPolarHBondContact OE2-CG 3.26Å
269T94.1Very high97.5Very high137 Ų13767.3 Ų67.384%0.8436%0.359SS*.THydrogen-bonded Turntrans-63.4129.1-177.3-630000111
270G94.3Very high97.4Very high76 Ų7665.1 Ų65.178%0.78435%0.348SS*.THydrogen-bonded Turntrans87.411178.100000114.8E268E268-G270 PolarHBondContact O-N 2.88Å
271T97.4Very high97.5Very high11 Ų1165 Ų657%0.06735%0.348CS..  trans-103.8176.6171.7-153.50000112.2L267 E268 E276L267-T271 HydrophobicContact CB-CG2 3.55Å; L267-T271 HydrophobicContact CD1-CG2 4.11Å; L267-T271 HydrophobicContact CG-CG2 4.43Å; E268-T271 HydrophobicContact CB-CG2 4.41Å; E268-T271 WeakPolarHBondContact O-CG2 3.39Å; E268-T271 PolarHBondContact O-N 3.36Å; T271-E276 WeakPolarHBondContact CB-OE1 3.39Å; T271-E276 HydrophobicContact CG2-CG 3.64Å; T271-E276 WeakPolarHBondContact CG2-OE1 3.29Å; T271-E276 PolarHBondContact OG1-OE1 2.91Å
272T98Very high97.5Very high52 Ų5258.3 Ų58.332%0.31932%0.316SS..  trans-132.9162.716875.20000109.8D260 E274 K275 E276D260-T272 WeakPolarHBondContact OD1-CA 3.39Å; D260-T272 VanDerWaalsContact OD1-CB 3.29Å; D260-T272 WeakPolarHBondContact OD1-CB 3.36Å; T272-E274 VanDerWaalsContact C-N 3.25Å; T272-E274 WeakPolarHBondContact CB-OE2 3.17Å; T272-E274 PolarHBondContact O-N 2.85Å; T272-E274 PolarHBondContact OG1-N 3.47Å; T272-E274 PolarHBondContact OG1-OE2 2.76Å; T272-E274 VanDerWaalsContact OG1-OE2 3.05Å; T272-K275 PolarHBondContact O-N 3.2Å; T272-K275 PolarHBondContact OG1-N 3.37Å; T272-E276 WeakPolarHBondContact O-CG 3.32Å; T272-E276 PolarHBondContact O-N 3.33Å
273L98.3Very high97.5Very high1 Ų156.2 Ų56.21%0.00531%0.306CS..Hα-helixtrans-56.4-40.3176.5179.855.1000112.5L252 V258 D260 V263 L267 E276 M277 I282 L311L252-L273 HydrophobicContact CD1-CD2 3.86Å; V258-L273 HydrophobicContact CG1-CD2 3.98Å; D260-L273 PolarHBondContact OD1-N 3.48Å; V263-L273 HydrophobicContact CG2-CB 4.04Å; V263-L273 HydrophobicContact CG2-CD1 4.13Å; V263-L273 HydrophobicContact CG2-CD2 3.89Å; V263-L273 HydrophobicContact CG2-CG 4.23Å; L267-L273 HydrophobicContact CD1-CB 4.29Å; L273-E276 PolarHBondContact O-N 3.19Å; L273-M277 HydrophobicContact CG-CE 4.23Å; L273-M277 WeakPolarHBondContact O-CG 3.2Å; L273-M277 PolarHBondContact O-N 3.45Å; L273-I282 HydrophobicContact CD1-CD1 3.78Å; L273-I282 HydrophobicContact CD1-CG1 3.96Å; L273-I282 HydrophobicContact CD1-CG2 4.46Å; L273-L311 HydrophobicContact CD1-CD2 4.16Å
274E98.1Very high97.5Very high95 Ų9556.5 Ų56.544%0.44431%0.308SS..Hα-helixtrans-62.2-46.3177.2-62.573.2-158.700111.6T272 E276 M277 E278T272-E274 VanDerWaalsContact C-N 3.25Å; T272-E274 WeakPolarHBondContact CB-OE2 3.17Å; T272-E274 PolarHBondContact O-N 2.85Å; T272-E274 PolarHBondContact OG1-N 3.47Å; T272-E274 PolarHBondContact OG1-OE2 2.76Å; T272-E274 VanDerWaalsContact OG1-OE2 3.05Å; E274-E276 VanDerWaalsContact C-N 3.34Å; E274-E276 PolarHBondContact O-N 3.01Å; E274-M277 HydrophobicContact CG-CE 4.43Å; E274-M277 WeakPolarHBondContact O-CB 3.44Å; E274-M277 PolarHBondContact O-N 3.08Å; E274-E278 WeakPolarHBondContact O-CG 3.41Å; E274-E278 PolarHBondContact O-N 3.47Å
275K98Very high97.6Very high89 Ų8950.8 Ų50.839%0.38728%0.282SS..Hα-helixtrans-62.6-42.3178.9-174.8179.7169.1-164.40111.5T272 M277 E278 E279T272-K275 PolarHBondContact O-N 3.2Å; T272-K275 PolarHBondContact OG1-N 3.37Å; K275-M277 VanDerWaalsContact C-N 3.31Å; K275-M277 PolarHBondContact O-N 3.2Å; K275-E278 PolarHBondContact O-N 3.11Å; K275-E279 WeakPolarHBondContact CE-OE1 3.31Å; K275-E279 IonicContact NZ-OE1 3.51Å; K275-E279 WeakPolarHBondContact O-CG 3.29Å; K275-E279 PolarHBondContact O-N 3.2Å
276E98.3Very high97.6Very high6 Ų648.5 Ų48.53%0.02827%0.265CS..Hα-helixtrans-66.2-31.9176.7-65.3-60.4157.300112.8L267 T271 T272 L273 E274 G280 N281 I282 Y313L267-E276 HydrophobicContact CD1-CG 4.26Å; L267-E276 HydrophobicContact CD2-CG 4.35Å; T271-E276 WeakPolarHBondContact CB-OE1 3.39Å; T271-E276 HydrophobicContact CG2-CG 3.64Å; T271-E276 WeakPolarHBondContact CG2-OE1 3.29Å; T271-E276 PolarHBondContact OG1-OE1 2.91Å; T272-E276 WeakPolarHBondContact O-CG 3.32Å; T272-E276 PolarHBondContact O-N 3.33Å; L273-E276 PolarHBondContact O-N 3.19Å; E274-E276 VanDerWaalsContact C-N 3.34Å; E274-E276 PolarHBondContact O-N 3.01Å; E276-G280 PolarHBondContact O-N 3.47Å; E276-N281 HydrophobicContact CB-CB 4.42Å; E276-N281 PolarHBondContact O-N 3.26Å; E276-N281 VanDerWaalsContact OE2-CB 3.23Å; E276-N281 WeakPolarHBondContact OE2-CB 3.46Å; E276-N281 PolarHBondContact OE2-ND2 2.97Å; E276-I282 HydrophobicContact CB-CD1 3.8Å; E276-I282 HydrophobicContact CB-CG1 3.63Å; E276-Y313 HydrophobicContact CB-CE2 4.46Å; E276-Y313 HydrophobicContact CG-CE2 4.03Å; E276-Y313 VanDerWaalsContact OE2-CE2 3.3Å; E276-Y313 WeakPolarHBondContact OE2-CE2 3.32Å
277M98.2Very high97.6Very high21 Ų2146.1 Ų46.110%0.10326%0.255CS..Hα-helixtrans-67.5-42.5171-75-172-69.200111.8C249 L252 L273 E274 K275 G280 I282C249-M277 WeakPolarHBondContact O-CG 3.19Å; L252-M277 HydrophobicContact CD2-SD 4.47Å; L252-M277 HydrophobicContact CG-CE 4.45Å; L252-M277 HydrophobicContact CG-SD 4.05Å; L273-M277 HydrophobicContact CG-CE 4.23Å; L273-M277 WeakPolarHBondContact O-CG 3.2Å; L273-M277 PolarHBondContact O-N 3.45Å; E274-M277 HydrophobicContact CG-CE 4.43Å; E274-M277 WeakPolarHBondContact O-CB 3.44Å; E274-M277 PolarHBondContact O-N 3.08Å; K275-M277 VanDerWaalsContact C-N 3.31Å; K275-M277 PolarHBondContact O-N 3.2Å; M277-G280 PolarHBondContact O-N 2.77Å; M277-G280 VanDerWaalsContact O-N 3.15Å; M277-I282 HydrophobicContact CG-CB 3.76Å; M277-I282 HydrophobicContact CG-CG1 3.79Å; M277-I282 HydrophobicContact CG-CG2 4.05Å
278E97.6Very high97.7Very high168 Ų16851.5 Ų51.579%0.78528%0.277SS*.Hα-helixtrans-62.9-41176.9-72.6176.8179.700112.1E274 K275 G280E274-E278 WeakPolarHBondContact O-CG 3.41Å; E274-E278 PolarHBondContact O-N 3.47Å; K275-E278 PolarHBondContact O-N 3.11Å; E278-G280 PolarHBondContact O-N 2.8Å
279E96.9Very high97.8Very high107 Ų10748.1 Ų48.150%0.526%0.262SS..THydrogen-bonded Turntrans-74.2-9.2176.1-68.7-177.9-179.200113.1K275 N281K275-E279 WeakPolarHBondContact CE-OE1 3.31Å; K275-E279 IonicContact NZ-OE1 3.51Å; K275-E279 WeakPolarHBondContact O-CG 3.29Å; K275-E279 PolarHBondContact O-N 3.2Å; E279-N281 PolarHBondContact OE2-ND2 3.45Å
280G97.6Very high97.9Very high12 Ų1242 Ų4212%0.12422%0.224CC..THydrogen-bonded Turntrans77.525.1177.800000114.2E276 M277 E278E276-G280 PolarHBondContact O-N 3.47Å; M277-G280 PolarHBondContact O-N 2.77Å; M277-G280 VanDerWaalsContact O-N 3.15Å; E278-G280 PolarHBondContact O-N 2.8Å
281N98.4Very high98.1Very high19 Ų1941.7 Ų41.710%0.10221%0.205CC..  trans-92-7.1178.9-61.8-34.7000113.1E276 E279 Y313 K314E276-N281 HydrophobicContact CB-CB 4.42Å; E276-N281 PolarHBondContact O-N 3.26Å; E276-N281 VanDerWaalsContact OE2-CB 3.23Å; E276-N281 WeakPolarHBondContact OE2-CB 3.46Å; E276-N281 PolarHBondContact OE2-ND2 2.97Å; E279-N281 PolarHBondContact OE2-ND2 3.45Å; N281-Y313 HydrophobicContact CB-CD2 4.15Å; N281-Y313 HydrophobicContact CB-CE2 3.88Å; N281-K314 PolarHBondContact O-N 3.29Å; N281-K314 VanDerWaalsContact OD1-CE 3.23Å; N281-K314 WeakPolarHBondContact OD1-CE 3.27Å; N281-K314 PolarHBondContact OD1-NZ 3.4Å
282I98.8Very high98Very high0 Ų044.2 Ų44.20%023%0.232CC..EExtended strand (participates in β ladder)trans-102.3135.6178.7-55.4-66.5000110.9C249 L267 L273 E276 M277 L311 F312 Y313 I323C249-I282 HydrophobicContact CB-CG2 4.01Å; C249-I282 PolarHBondContact N-O 2.94Å; L267-I282 HydrophobicContact CD2-CD1 4.28Å; L273-I282 HydrophobicContact CD1-CD1 3.78Å; L273-I282 HydrophobicContact CD1-CG1 3.96Å; L273-I282 HydrophobicContact CD1-CG2 4.46Å; E276-I282 HydrophobicContact CB-CD1 3.8Å; E276-I282 HydrophobicContact CB-CG1 3.63Å; M277-I282 HydrophobicContact CG-CB 3.76Å; M277-I282 HydrophobicContact CG-CG1 3.79Å; M277-I282 HydrophobicContact CG-CG2 4.05Å; I282-L311 HydrophobicContact CG2-CD1 3.45Å; I282-L311 VanDerWaalsContact CG2-CD1 3.45Å; I282-L311 HydrophobicContact CG2-CD2 4.3Å; I282-L311 HydrophobicContact CG2-CG 3.86Å; I282-F312 WeakPolarHBondContact CA-O 3.49Å; I282-Y313 HydrophobicContact CD1-CD2 3.85Å; I282-Y313 HydrophobicContact CD1-CG 4.44Å; I282-I323 HydrophobicContact CD1-CD1 4.21Å
283F98.9Very high98Very high5 Ų542.3 Ų42.32%0.02222%0.22CC..EExtended strand (participates in β ladder)trans-129.4155-179.6-58.1-98.6000110.4I246 K247 R248 F312 K314 L320 L458 I461I246-F283 HydrophobicContact CD1-CB 3.81Å; I246-F283 HydrophobicContact CD1-CG 4.4Å; I246-F283 HydrophobicContact CG1-CB 3.91Å; K247-F283 CarbonylContact O-C 3.55Å; K247-F283 VanDerWaalsContact O-CA 3.29Å; K247-F283 WeakPolarHBondContact O-CA 3.44Å; K247-F283 WeakPolarHBondContact O-CB 3.46Å; R248-F283 HydrophobicContact CB-CD1 4.18Å; R248-F283 HydrophobicContact CB-CE1 4.09Å; R248-F283 HydrophobicContact CG-CE1 4.37Å; F283-F312 HydrophobicContact CB-CB 4.21Å; F283-F312 PolarHBondContact N-O 3.32Å; F283-F312 PolarHBondContact O-N 2.73Å; F283-K314 HydrophobicContact CD2-CB 4.39Å; F283-K314 HydrophobicContact CE2-CB 3.75Å; F283-L320 HydrophobicContact CB-CD1 4.38Å; F283-L320 HydrophobicContact CD2-CD1 3.68Å; F283-L320 HydrophobicContact CE2-CD1 4.32Å; F283-L320 HydrophobicContact CG-CD1 4.17Å; F283-L458 HydrophobicContact CD1-CD2 3.84Å; F283-L458 HydrophobicContact CE1-CD2 3.79Å; F283-I461 HydrophobicContact CD1-CD1 4.3Å; F283-I461 HydrophobicContact CD2-CD1 4.5Å; F283-I461 HydrophobicContact CE1-CB 4.31Å; F283-I461 HydrophobicContact CE1-CD1 3.83Å; F283-I461 HydrophobicContact CE1-CG1 4.39Å; F283-I461 HydrophobicContact CE2-CD1 4.07Å; F283-I461 HydrophobicContact CZ-CB 4.13Å; F283-I461 HydrophobicContact CZ-CD1 3.71Å; F283-I461 HydrophobicContact CZ-CG1 3.99Å
284L98.8Very high97.9Very high6 Ų644.6 Ų44.63%0.03124%0.235CC..EExtended strand (participates in β ladder)trans-134.2135.4-176.5-179.871.9000110K247 C249 P253 F256 D286 L309 C310 L311K247-L284 WeakPolarHBondContact CG-O 3.48Å; K247-L284 PolarHBondContact N-O 3.49Å; K247-L284 PolarHBondContact O-N 2.85Å; C249-L284 HydrophobicContact CB-CB 3.84Å; P253-L284 HydrophobicContact CG-CD2 3.61Å; F256-L284 HydrophobicContact CD1-CD1 4Å; F256-L284 HydrophobicContact CE1-CD1 3.94Å; L284-D286 HydrophobicContact CD2-CB 4.37Å; L284-D286 HydrophobicContact CG-CB 4.47Å; L284-L309 HydrophobicContact CD1-CB 4.34Å; L284-L309 HydrophobicContact CD1-CD2 4.44Å; L284-C310 WeakPolarHBondContact CA-O 3.47Å; L284-L311 HydrophobicContact CD1-CD1 4.33Å
285C98.7Very high97.8Very high0 Ų042.8 Ų42.80%023%0.231CC..EExtended strand (participates in β ladder)trans-111.2121.5159.8-177.90000108.2F237 V245 L309 C310 F312 F354F237-C285 HydrophobicContact CE1-CB 4.42Å; V245-C285 WeakPolarHBondContact CG2-SG 3.2Å; C285-L309 WeakPolarHBondContact O-CA 3.37Å; C285-C310 PolarHBondContact N-O 3.3Å; C285-C310 PolarHBondContact O-N 3.22Å; C285-F312 HydrophobicContact CB-CE2 3.99Å; C285-F354 HydrophobicContact CB-CE1 4.09Å; C285-F354 HydrophobicContact CB-CZ 3.75Å
286D98.6Very high97.6Very high48 Ų4840.9 Ų40.926%0.25722%0.221SC..EExtended strand (participates in β ladder)trans-117.6112.8-179.1179.93.7000109.5L284 K288 L309 Q329L284-D286 HydrophobicContact CD2-CB 4.37Å; L284-D286 HydrophobicContact CG-CB 4.47Å; D286-K288 VanDerWaalsContact C-N 3.27Å; D286-K288 PolarHBondContact O-N 3.04Å; D286-K288 VanDerWaalsContact OD1-CB 3.3Å; D286-K288 WeakPolarHBondContact OD1-CB 3.46Å; D286-K288 PolarHBondContact OD1-N 3.1Å; D286-L309 HydrophobicContact CB-CD2 4.23Å; D286-Q329 PolarHBondContact OD1-NE2 3.11Å
287Q98.3Very high97.3Very high0 Ų047.2 Ų47.20%025%0.251CS..  trans-91.825-177.7-61.1-180-27.500112.4I289 M290 G308 F354 Q361Q287-I289 PolarHBondContact O-N 3.49Å; Q287-M290 HydrophobicContact CB-CG 4.3Å; Q287-M290 VanDerWaalsContact O-CB 3.3Å; Q287-M290 WeakPolarHBondContact O-CB 3.18Å; Q287-M290 WeakPolarHBondContact O-CG 3.4Å; Q287-M290 PolarHBondContact O-N 3.01Å; Q287-G308 WeakPolarHBondContact CB-O 3.44Å; Q287-G308 PolarHBondContact N-O 3.07Å; Q287-F354 HydrophobicContact CG-CE2 3.92Å; Q287-F354 HydrophobicContact CG-CZ 3.94Å; Q287-F354 PolarHBondContact NE2-O 2.98Å; Q287-Q361 VanDerWaalsContact CB-NE2 3.34Å
288K98.2Very high96.8Very high130 Ų13048 Ų4857%0.56525%0.254SS*.G310 helixtrans-49.2-30.7179.5-176.6172.8-178.2178.30114.8D286 M290 D291 Q329D286-K288 VanDerWaalsContact C-N 3.27Å; D286-K288 PolarHBondContact O-N 3.04Å; D286-K288 VanDerWaalsContact OD1-CB 3.3Å; D286-K288 WeakPolarHBondContact OD1-CB 3.46Å; D286-K288 PolarHBondContact OD1-N 3.1Å; K288-M290 PolarHBondContact O-N 2.8Å; K288-M290 VanDerWaalsContact O-N 3.13Å; K288-D291 VanDerWaalsContact O-CB 3.23Å; K288-D291 WeakPolarHBondContact O-CB 3.33Å; K288-D291 PolarHBondContact O-N 3.35Å; K288-Q329 HydrophobicContact CB-CG 4.47Å; K288-Q329 HydrophobicContact CG-CG 4.39Å
289I97.8Very high96.1Very high28 Ų2847.1 Ų47.114%0.14425%0.254CS..G310 helixtrans-58.5-25.6177.3-160177.2000113Q287 D291 Q361 L365 L434 R437 D438 Q441Q287-I289 PolarHBondContact O-N 3.49Å; I289-D291 VanDerWaalsContact C-N 3.34Å; I289-Q361 HydrophobicContact CG2-CG 4.48Å; I289-L365 HydrophobicContact CD1-CD1 3.9Å; I289-L434 HydrophobicContact CB-CD1 4.43Å; I289-L434 HydrophobicContact CD1-CD1 4.09Å; I289-L434 HydrophobicContact CG1-CD1 3.9Å; I289-L434 HydrophobicContact CG2-CD1 3.98Å; I289-R437 HydrophobicContact CG1-CB 4.31Å; I289-R437 PolarHBondContact O-NH1 3.4Å; I289-D438 HydrophobicContact CD1-CB 3.65Å; I289-Q441 VanDerWaalsContact CD1-NE2 3.29Å
290M97.4Very high95.5Very high8 Ų845.1 Ų45.14%0.03926%0.262CS..G310 helixtrans-80.8-12.6177.9-55.3-61.2-72.200113.6Q287 K288 G292 I293 V305 A307 I360 Q361 L426 L434Q287-M290 HydrophobicContact CB-CG 4.3Å; Q287-M290 VanDerWaalsContact O-CB 3.3Å; Q287-M290 WeakPolarHBondContact O-CB 3.18Å; Q287-M290 WeakPolarHBondContact O-CG 3.4Å; Q287-M290 PolarHBondContact O-N 3.01Å; K288-M290 PolarHBondContact O-N 2.8Å; K288-M290 VanDerWaalsContact O-N 3.13Å; M290-G292 PolarHBondContact O-N 2.82Å; M290-I293 WeakPolarHBondContact O-CG1 3.43Å; M290-I293 PolarHBondContact O-N 2.84Å; M290-V305 HydrophobicContact CE-CG1 3.46Å; M290-V305 VanDerWaalsContact CE-CG1 3.46Å; M290-A307 HydrophobicContact CB-CB 3.92Å; M290-I360 HydrophobicContact CE-CB 4.38Å; M290-I360 HydrophobicContact CE-CG2 3.87Å; M290-Q361 HydrophobicContact CE-CG 4.37Å; M290-Q361 HydrophobicContact CG-CG 3.98Å; M290-Q361 HydrophobicContact SD-CG 3.38Å; M290-Q361 WeakPolarHBondContact SD-CG 3.41Å; M290-L426 HydrophobicContact CE-CD1 3.88Å; M290-L434 HydrophobicContact CE-CD2 4.02Å; M290-L434 HydrophobicContact SD-CD1 3.56Å; M290-L434 VanDerWaalsContact SD-CD1 3.56Å; M290-L434 HydrophobicContact SD-CD2 3.51Å; M290-L434 VanDerWaalsContact SD-CD2 3.51Å; M290-L434 HydrophobicContact SD-CG 4.19Å
291D97.6Very high95Very high70 Ų7049.5 Ų49.537%0.37428%0.283SS..THydrogen-bonded Turntrans-65.1124-172.3-16931000111.1K288 I289 I293 A307 Q329 R437K288-D291 VanDerWaalsContact O-CB 3.23Å; K288-D291 WeakPolarHBondContact O-CB 3.33Å; K288-D291 PolarHBondContact O-N 3.35Å; I289-D291 VanDerWaalsContact C-N 3.34Å; D291-I293 VanDerWaalsContact C-N 3.27Å; D291-I293 PolarHBondContact O-N 3.01Å; D291-A307 HydrophobicContact CB-CB 3.94Å; D291-Q329 HydrophobicContact CB-CG 3.88Å; D291-R437 PolarHBondContact O-NH1 2.86Å
292G96.3Very high94.7Very high63 Ų6351.4 Ų51.465%0.64930%0.296SS*.THydrogen-bonded Turntrans64.622.6-178.100000115.3M290 R437M290-G292 PolarHBondContact O-N 2.82Å; G292-R437 PolarHBondContact O-NH2 3.05Å
293I97.4Very high94.5Very high13 Ų1351.7 Ų51.77%0.06730%0.298CS..PPolyproline II helixtrans-70.6134.9167.4-63.2-70000109M290 D291 T295 L426 G430 E433 L434 R437M290-I293 WeakPolarHBondContact O-CG1 3.43Å; M290-I293 PolarHBondContact O-N 2.84Å; D291-I293 VanDerWaalsContact C-N 3.27Å; D291-I293 PolarHBondContact O-N 3.01Å; I293-T295 PolarHBondContact O-N 3.13Å; I293-L426 HydrophobicContact CB-CD2 4.31Å; I293-L426 HydrophobicContact CG2-CD1 3.85Å; I293-L426 HydrophobicContact CG2-CD2 3.63Å; I293-L426 HydrophobicContact CG2-CG 4.31Å; I293-G430 WeakPolarHBondContact CG2-O 3.34Å; I293-E433 HydrophobicContact CD1-CB 4.29Å; I293-E433 HydrophobicContact CD1-CG 3.72Å; I293-L434 HydrophobicContact CD1-CB 4.18Å; I293-L434 HydrophobicContact CD1-CD1 4.46Å; I293-R437 VanDerWaalsContact CD1-NH1 3.34Å
294P95.4Very high94.1Very high49 Ų4954.6 Ų54.632%0.31831%0.309SS..PPolyproline II helixtrans-64134.8178.125.3-33.2000111.2E429 G430P294-E429 HydrophobicContact CG-CG 4.19Å; P294-G430 WeakPolarHBondContact O-CA 3.36Å
295T95.9Very high93.9Very high57 Ų5755.3 Ų55.335%0.3531%0.314SS..PPolyproline II helixtrans-102.4148176.954.40000110.9I293 L303 V305 L426I293-T295 PolarHBondContact O-N 3.13Å; T295-L303 VanDerWaalsContact CB-O 3.29Å; T295-L303 WeakPolarHBondContact CB-O 3.27Å; T295-L303 PolarHBondContact OG1-O 3.11Å; T295-V305 HydrophobicContact CG2-CG2 4.38Å; T295-L426 HydrophobicContact CG2-CD2 4.19Å
296R95.1Very high93.8Very high48 Ų4855.4 Ų55.418%0.18131%0.314CS..PPolyproline II helixtrans-69.5154.8175.1-173.1179.474.5104.4-14.8111.2L303 S422 E423 S424 S425R296-L303 HydrophobicContact CB-CD1 4.21Å; R296-L303 VanDerWaalsContact O-CB 3.3Å; R296-L303 WeakPolarHBondContact O-CB 3.34Å; R296-L303 WeakPolarHBondContact O-CG 3.29Å; R296-L303 PolarHBondContact O-N 2.72Å; R296-S422 WeakPolarHBondContact CD-O 3.49Å; R296-E423 IonicContact CZ-OE2 3.92Å; R296-E423 IonicContact NH1-OE2 3.66Å; R296-E423 PolarHBondContact NH1-OE2 3.27Å; R296-E423 PolarHBondContact NH2-O 3.38Å; R296-E423 IonicContact NH2-OE2 3.26Å; R296-E423 PolarHBondContact NH2-OE2 3.09Å; R296-S424 PolarHBondContact NE-O 3.21Å; R296-S425 PolarHBondContact N-O 3.07Å
297Q92.2Very high93.7Very high139 Ų13953.3 Ų53.365%0.6530%0.304SS*.EExtended strand (participates in β ladder)trans-101.6142.8168.6-62.5-17811.700110.8N301Q297-N301 CarbonylContact C-O 3.51Å; Q297-N301 VanDerWaalsContact CA-O 3.29Å; Q297-N301 WeakPolarHBondContact CA-O 3.26Å
298K86.3Confident93.7Very high39 Ų3953.3 Ų53.317%0.1730%0.304CS..EExtended strand (participates in β ladder)trans-130.4123.4175.1-173.6171.1-173.5162.30109.4G300 N301 L303 D592K298-G300 PolarHBondContact O-N 2.93Å; K298-N301 PolarHBondContact N-O 2.72Å; K298-N301 PolarHBondContact O-N 3.26Å; K298-L303 HydrophobicContact CB-CD1 4.09Å; K298-L303 HydrophobicContact CB-CD2 3.98Å; K298-L303 HydrophobicContact CB-CG 4.08Å; K298-D592 IonicContact NZ-OD1 3.88Å; K298-D592 PolarHBondContact NZ-OD1 2.87Å; K298-D592 IonicContact NZ-OD2 3.53Å; K298-D592 PolarHBondContact NZ-OD2 3.24Å
299D84.4Confident93.7Very high149 Ų14947.1 Ų47.180%0.79728%0.277SS*.THydrogen-bonded Turntrans5239.6-178-51.9-41.8000113.2N301D299-N301 VanDerWaalsContact C-N 3.25Å; D299-N301 PolarHBondContact O-N 2.94Å; D299-N301 PolarHBondContact O-ND2 3.26Å; D299-N301 VanDerWaalsContact O-ND2 3.14Å
300G84.5Confident93.7Very high65 Ų6545.8 Ų45.867%0.6727%0.27SS*.THydrogen-bonded Turntrans76.70.9-17800000115.5K298K298-G300 PolarHBondContact O-N 2.93Å
301N86.8Confident93.8Very high103 Ų10345.4 Ų45.455%0.55127%0.268SS*.EExtended strand (participates in β ladder)trans-105.1138.9177.6-61.2-78.7000110.8Q297 K298 D299Q297-N301 CarbonylContact C-O 3.51Å; Q297-N301 VanDerWaalsContact CA-O 3.29Å; Q297-N301 WeakPolarHBondContact CA-O 3.26Å; K298-N301 PolarHBondContact N-O 2.72Å; K298-N301 PolarHBondContact O-N 3.26Å; D299-N301 VanDerWaalsContact C-N 3.25Å; D299-N301 PolarHBondContact O-N 2.94Å; D299-N301 PolarHBondContact O-ND2 3.26Å; D299-N301 VanDerWaalsContact O-ND2 3.14Å
302P90.7Very high93.9Very high60 Ų6042 Ų4239%0.3925%0.25SS..EExtended strand (participates in β ladder)trans-64.8141.3171.928.1-32.7000110.4Y304P302-Y304 HydrophobicContact CG-CE1 4.34Å; P302-Y304 WeakPolarHBondContact O-CE2 3.43Å
303L95.1Very high94Very high6 Ų639.4 Ų39.43%0.03122%0.221CC..  trans-87.2168.2165.1-62.5173.7000109.7T295 R296 K298 L566T295-L303 VanDerWaalsContact CB-O 3.29Å; T295-L303 WeakPolarHBondContact CB-O 3.27Å; T295-L303 PolarHBondContact OG1-O 3.11Å; R296-L303 HydrophobicContact CB-CD1 4.21Å; R296-L303 VanDerWaalsContact O-CB 3.3Å; R296-L303 WeakPolarHBondContact O-CB 3.34Å; R296-L303 WeakPolarHBondContact O-CG 3.29Å; R296-L303 PolarHBondContact O-N 2.72Å; K298-L303 HydrophobicContact CB-CD1 4.09Å; K298-L303 HydrophobicContact CB-CD2 3.98Å; K298-L303 HydrophobicContact CB-CG 4.08Å; L303-L566 HydrophobicContact CD1-CD1 3.53Å; L303-L566 HydrophobicContact CD2-CD1 3.81Å; L303-L566 HydrophobicContact CG-CD1 4.26Å
304Y90Very high94Very high65 Ų6541.2 Ų41.226%0.25523%0.228SC..  trans-131.1142.2-167.9-52.6-87.1000111.7P302 S425 K569 P570P302-Y304 HydrophobicContact CG-CE1 4.34Å; P302-Y304 WeakPolarHBondContact O-CE2 3.43Å; Y304-S425 WeakPolarHBondContact O-CB 3.29Å; Y304-S425 PolarHBondContact O-OG 2.63Å; Y304-K569 VanDerWaalsContact CD2-O 3.31Å; Y304-K569 WeakPolarHBondContact CD2-O 3.47Å; Y304-P570 HydrophobicContact CD1-CB 3.9Å; Y304-P570 HydrophobicContact CD2-CB 4.31Å; Y304-P570 HydrophobicContact CE1-CB 3.66Å; Y304-P570 HydrophobicContact CE2-CB 4.09Å; Y304-P570 HydrophobicContact CE2-CG 4.39Å; Y304-P570 VanDerWaalsContact CE2-N 3.34Å; Y304-P570 HydrophobicContact CG-CB 4.21Å
305V94.8Very high94.1Very high22 Ų2239.8 Ų39.813%0.13322%0.218CC..  trans-138.8139.5170.9-1790000107.4M290 T295 I360 L426M290-V305 HydrophobicContact CE-CG1 3.46Å; M290-V305 VanDerWaalsContact CE-CG1 3.46Å; T295-V305 HydrophobicContact CG2-CG2 4.38Å; V305-I360 HydrophobicContact CG1-CD1 4.29Å; V305-I360 HydrophobicContact CG2-CD1 3.73Å; V305-L426 HydrophobicContact CB-CD2 4.11Å; V305-L426 HydrophobicContact CG1-CD2 4.46Å; V305-L426 HydrophobicContact CG2-CD2 3.57Å; V305-L426 HydrophobicContact CG2-CG 4.04Å
306A96.3Very high94.1Very high1 Ų141 Ų411%0.00823%0.226CC..  trans-87.6155.3176.900000110.1L327 F353 S357A306-L327 HydrophobicContact CB-CB 4.43Å; A306-L327 HydrophobicContact CB-CD2 4.45Å; A306-L327 WeakPolarHBondContact CB-O 3.07Å; A306-F353 HydrophobicContact CB-CB 4.27Å; A306-S357 WeakPolarHBondContact CB-OG 3.3Å; A306-S357 PolarHBondContact N-OG 3.06Å; A306-S357 WeakPolarHBondContact O-CB 3.12Å; A306-S357 PolarHBondContact O-OG 3.4Å; A306-S357 VanDerWaalsContact O-OG 3.13Å
307A97.3Very high94.1Very high4 Ų445.1 Ų45.13%0.03325%0.248CC..  trans-126.856.4172.400000108.1M290 D291 L327 Y328 Q329M290-A307 HydrophobicContact CB-CB 3.92Å; D291-A307 HydrophobicContact CB-CB 3.94Å; A307-L327 CarbonylContact C-O 3.24Å; A307-L327 PolarHBondContact N-O 2.93Å; A307-Y328 CarbonylContact O-C 3.37Å; A307-Q329 HydrophobicContact CB-CG 4.35Å; A307-Q329 WeakPolarHBondContact O-CG 3.21Å; A307-Q329 PolarHBondContact O-N 3.39Å; A307-Q329 PolarHBondContact O-NE2 3.14Å
308G97.4Very high94.3Very high0 Ų039 Ų390%022%0.223CC..  trans-85.4176.1-164.300000115.3Q287 Q326 L327Q287-G308 WeakPolarHBondContact CB-O 3.44Å; Q287-G308 PolarHBondContact N-O 3.07Å; G308-Q326 CarbonylContact C-O 3.58Å; G308-Q326 WeakPolarHBondContact CA-O 3.12Å; G308-L327 WeakPolarHBondContact CA-O 3.26Å; G308-L327 PolarHBondContact N-O 3.45Å
309L98.8Very high94.8Very high0 Ų041.8 Ų41.80%024%0.235CC..EExtended strand (participates in β ladder)trans-122.3132.9167.1-57.7102.7000108.7P253 F256 L284 C285 D286 I325 Q326P253-L309 HydrophobicContact CB-CD2 4.32Å; P253-L309 HydrophobicContact CG-CD2 3.97Å; F256-L309 HydrophobicContact CB-CD1 4.39Å; F256-L309 HydrophobicContact CB-CD2 4.03Å; F256-L309 HydrophobicContact CD1-CB 3.6Å; F256-L309 HydrophobicContact CD1-CD2 4.09Å; F256-L309 HydrophobicContact CD1-CG 4.38Å; F256-L309 HydrophobicContact CD2-CB 4.32Å; F256-L309 HydrophobicContact CE1-CB 3.67Å; F256-L309 HydrophobicContact CE2-CB 4.41Å; F256-L309 HydrophobicContact CG-CB 3.94Å; F256-L309 HydrophobicContact CG-CD1 4.48Å; F256-L309 HydrophobicContact CG-CD2 4.27Å; F256-L309 HydrophobicContact CG-CG 4.46Å; F256-L309 HydrophobicContact CZ-CB 4.09Å; L284-L309 HydrophobicContact CD1-CB 4.34Å; L284-L309 HydrophobicContact CD1-CD2 4.44Å; C285-L309 WeakPolarHBondContact O-CA 3.37Å; D286-L309 HydrophobicContact CB-CD2 4.23Å; L309-I325 WeakPolarHBondContact O-CA 3.48Å; L309-Q326 PolarHBondContact N-O 3.06Å; L309-Q326 PolarHBondContact O-N 3.38Å
310C98.9Very high95.4Very high0 Ų035.1 Ų35.10%020%0.199CC..EExtended strand (participates in β ladder)trans-123123.3174.1-176.10000110L284 C285 F312 A324 I325 F354L284-C310 WeakPolarHBondContact CA-O 3.47Å; C285-C310 PolarHBondContact N-O 3.3Å; C285-C310 PolarHBondContact O-N 3.22Å; C310-F312 HydrophobicContact CB-CE2 3.77Å; C310-F312 HydrophobicContact CB-CZ 4.1Å; C310-F312 WeakPolarHBondContact SG-CE2 3.42Å; C310-F312 WeakPolarHBondContact SG-CZ 3.38Å; C310-A324 WeakPolarHBondContact CA-O 3.22Å; C310-I325 HydrophobicContact CB-CG1 4.1Å; C310-I325 VanDerWaalsContact SG-CG1 3.59Å; C310-F354 HydrophobicContact CB-CD1 3.97Å; C310-F354 HydrophobicContact CB-CD2 4.07Å; C310-F354 HydrophobicContact CB-CE1 3.47Å; C310-F354 VanDerWaalsContact CB-CE1 3.47Å; C310-F354 HydrophobicContact CB-CE2 3.58Å; C310-F354 HydrophobicContact CB-CG 4.25Å; C310-F354 HydrophobicContact CB-CZ 3.26Å
311L98.9Very high96.1Very high0 Ų034 Ų340%018%0.177CC..EExtended strand (participates in β ladder)trans-94.2133.5175.5-16270.2000109.3L252 F256 V258 L273 I282 L284 I323 A324L252-L311 HydrophobicContact CD2-CD1 3.61Å; L252-L311 HydrophobicContact CD2-CD2 4.1Å; F256-L311 HydrophobicContact CE1-CB 3.9Å; F256-L311 HydrophobicContact CZ-CB 4.22Å; V258-L311 HydrophobicContact CG1-CD2 4.09Å; V258-L311 HydrophobicContact CG2-CD2 4.49Å; L273-L311 HydrophobicContact CD1-CD2 4.16Å; I282-L311 HydrophobicContact CG2-CD1 3.45Å; I282-L311 VanDerWaalsContact CG2-CD1 3.45Å; I282-L311 HydrophobicContact CG2-CD2 4.3Å; I282-L311 HydrophobicContact CG2-CG 3.86Å; L284-L311 HydrophobicContact CD1-CD1 4.33Å; L311-I323 HydrophobicContact CB-CG1 4.12Å; L311-I323 HydrophobicContact CD2-CD1 3.74Å; L311-I323 HydrophobicContact CD2-CG1 4.09Å; L311-I323 HydrophobicContact CG-CD1 4.07Å; L311-I323 HydrophobicContact CG-CG1 4.1Å; L311-I323 WeakPolarHBondContact O-CG1 3.42Å; L311-I323 PolarHBondContact O-N 3.11Å; L311-A324 HydrophobicContact CB-CB 4.1Å; L311-A324 PolarHBondContact N-O 3.09Å; L311-A324 PolarHBondContact O-N 3.35Å
312F98.9Very high96.7Very high0 Ų029.1 Ų29.10%015%0.151CC..EExtended strand (participates in β ladder)trans-121.5148.4177.8-58-100.8000111.1F233 F237 I246 I282 F283 C285 C310 L320 L321 P322F233-F312 AromaticContact CD1-CE1 3.86Å; F233-F312 HydrophobicContact CD1-CE1 3.86Å; F233-F312 HydrophobicContact CD1-CZ 4.43Å; F233-F312 AromaticContact CE1-CE1 3.68Å; F233-F312 HydrophobicContact CE1-CE1 3.68Å; F233-F312 AromaticContact CE1-CZ 3.82Å; F233-F312 HydrophobicContact CE1-CZ 3.82Å; F237-F312 HydrophobicContact CD1-CZ 4.4Å; F237-F312 AromaticContact CD2-CE1 3.83Å; F237-F312 HydrophobicContact CD2-CE1 3.83Å; F237-F312 AromaticContact CD2-CZ 3.59Å; F237-F312 HydrophobicContact CD2-CZ 3.59Å; F237-F312 HydrophobicContact CE1-CZ 4.46Å; F237-F312 HydrophobicContact CE2-CE1 4.13Å; F237-F312 AromaticContact CE2-CZ 3.67Å; F237-F312 HydrophobicContact CE2-CZ 3.67Å; F237-F312 HydrophobicContact CG-CE1 4.45Å; F237-F312 AromaticContact CG-CZ 3.98Å; F237-F312 HydrophobicContact CG-CZ 3.98Å; F237-F312 HydrophobicContact CZ-CZ 4.12Å; I246-F312 HydrophobicContact CD1-CD2 4.17Å; I246-F312 HydrophobicContact CD1-CE2 4.49Å; I246-F312 HydrophobicContact CD1-CG 4.42Å; I282-F312 WeakPolarHBondContact CA-O 3.49Å; F283-F312 HydrophobicContact CB-CB 4.21Å; F283-F312 PolarHBondContact N-O 3.32Å; F283-F312 PolarHBondContact O-N 2.73Å; C285-F312 HydrophobicContact CB-CE2 3.99Å; C310-F312 HydrophobicContact CB-CE2 3.77Å; C310-F312 HydrophobicContact CB-CZ 4.1Å; C310-F312 WeakPolarHBondContact SG-CE2 3.42Å; C310-F312 WeakPolarHBondContact SG-CZ 3.38Å; F312-L320 HydrophobicContact CB-CD1 3.6Å; F312-L320 HydrophobicContact CB-CD2 4.46Å; F312-L320 HydrophobicContact CB-CG 3.9Å; F312-L320 HydrophobicContact CD1-CD2 4.21Å; F312-L320 HydrophobicContact CD1-CG 4.02Å; F312-L320 HydrophobicContact CG-CD1 4.39Å; F312-L320 HydrophobicContact CG-CD2 4.41Å; F312-L320 HydrophobicContact CG-CG 4.23Å; F312-L321 CarbonylContact C-O 3.45Å; F312-L321 WeakPolarHBondContact CA-O 3.49Å; F312-P322 HydrophobicContact CD1-CB 4.12Å; F312-P322 HydrophobicContact CE1-CB 4.06Å
313Y98.8Very high97.1Very high7 Ų726.3 Ų26.33%0.02713%0.133CC..EExtended strand (participates in β ladder)trans-117.1129.7172.8173.6-129.2000110.2F266 L267 E268 E276 N281 I282 N315 L321F266-Y313 VanDerWaalsContact O-CD1 3.31Å; F266-Y313 WeakPolarHBondContact O-CD1 3.44Å; L267-Y313 HydrophobicContact CD2-CD1 3.97Å; L267-Y313 HydrophobicContact CD2-CD2 3.9Å; L267-Y313 HydrophobicContact CD2-CE1 4.29Å; L267-Y313 HydrophobicContact CD2-CE2 4.23Å; L267-Y313 HydrophobicContact CD2-CG 3.76Å; E268-Y313 WeakPolarHBondContact CB-OH 3.19Å; E268-Y313 PolarHBondContact N-OH 3.47Å; E276-Y313 HydrophobicContact CB-CE2 4.46Å; E276-Y313 HydrophobicContact CG-CE2 4.03Å; E276-Y313 VanDerWaalsContact OE2-CE2 3.3Å; E276-Y313 WeakPolarHBondContact OE2-CE2 3.32Å; N281-Y313 HydrophobicContact CB-CD2 4.15Å; N281-Y313 HydrophobicContact CB-CE2 3.88Å; I282-Y313 HydrophobicContact CD1-CD2 3.85Å; I282-Y313 HydrophobicContact CD1-CG 4.44Å; Y313-N315 HydrophobicContact CD1-CB 4.22Å; Y313-N315 HydrophobicContact CE1-CB 3.88Å; Y313-L321 PolarHBondContact N-O 2.98Å; Y313-L321 PolarHBondContact O-N 3.28Å
314K98.3Very high97.3Very high51 Ų5126 Ų2622%0.22213%0.131CC..EExtended strand (participates in β ladder)trans-87.6105.3168.3-176.1-138.276.4-174.60108.4N281 F283 K319 P462N281-K314 PolarHBondContact O-N 3.29Å; N281-K314 VanDerWaalsContact OD1-CE 3.23Å; N281-K314 WeakPolarHBondContact OD1-CE 3.27Å; N281-K314 PolarHBondContact OD1-NZ 3.4Å; F283-K314 HydrophobicContact CD2-CB 4.39Å; F283-K314 HydrophobicContact CE2-CB 3.75Å; K314-K319 CarbonylContact C-O 3.6Å; K314-K319 WeakPolarHBondContact CA-O 3.29Å; K314-P462 HydrophobicContact CD-CG 4.15Å; K314-P462 HydrophobicContact CG-CG 4.49Å
315N96.9Very high97.7Very high19 Ų1922.9 Ų22.910%0.10212%0.119CC..  trans-72.8172.5-178.480.7-7.6000112.2Y313 E317 G318 K319 L321Y313-N315 HydrophobicContact CD1-CB 4.22Å; Y313-N315 HydrophobicContact CE1-CB 3.88Å; N315-E317 PolarHBondContact ND2-OE2 2.97Å; N315-E317 PolarHBondContact O-N 3.36Å; N315-E317 PolarHBondContact OD1-N 3.4Å; N315-E317 PolarHBondContact OD1-OE2 3.13Å; N315-G318 PolarHBondContact O-N 3.19Å; N315-G318 PolarHBondContact OD1-N 3.02Å; N315-G318 VanDerWaalsContact OD1-N 3.11Å; N315-K319 PolarHBondContact N-O 2.83Å; N315-K319 WeakPolarHBondContact OD1-CB 3.48Å; N315-K319 PolarHBondContact OD1-N 3.09Å; N315-K319 PolarHBondContact OD1-O 2.81Å; N315-L321 HydrophobicContact CB-CD1 4.32Å
316P95.9Very high97.9Very high82 Ų8221.9 Ų21.953%0.53211%0.113SC..THydrogen-bonded Turntrans-60.4-27.7179.4-26.636.7000114.7E268 G318E268-P316 HydrophobicContact CG-CG 4.33Å; E268-P316 WeakPolarHBondContact OE2-CG 3.26Å; P316-G318 PolarHBondContact O-N 3.48Å
317E95.3Very high98Very high135 Ų13521.9 Ų21.963%0.63111%0.113SC*.THydrogen-bonded Turntrans-76-1.8173.6-6075.7-157.800113.3N315 K319N315-E317 PolarHBondContact ND2-OE2 2.97Å; N315-E317 PolarHBondContact O-N 3.36Å; N315-E317 PolarHBondContact OD1-N 3.4Å; N315-E317 PolarHBondContact OD1-OE2 3.13Å; E317-K319 VanDerWaalsContact C-N 3.33Å
318G95.7Very high98Very high12 Ų1225.1 Ų25.112%0.12413%0.125CC..SBendtrans7717.3-179.700000114.1N315 P316 N463N315-G318 PolarHBondContact O-N 3.19Å; N315-G318 PolarHBondContact OD1-N 3.02Å; N315-G318 VanDerWaalsContact OD1-N 3.11Å; P316-G318 PolarHBondContact O-N 3.48Å; G318-N463 PolarHBondContact O-ND2 3.42Å
319K96.8Very high98Very high97 Ų9725.3 Ų25.342%0.42213%0.125SC..  trans-85.3142.2170.6-63.8-176.1172.4-164.20110.1D231 K314 N315 E317 L321D231-K319 HydrophobicContact CB-CD 3.95Å; D231-K319 IonicContact OD2-NZ 3.67Å; D231-K319 PolarHBondContact OD2-NZ 3.28Å; K314-K319 CarbonylContact C-O 3.6Å; K314-K319 WeakPolarHBondContact CA-O 3.29Å; N315-K319 PolarHBondContact N-O 2.83Å; N315-K319 WeakPolarHBondContact OD1-CB 3.48Å; N315-K319 PolarHBondContact OD1-N 3.09Å; N315-K319 PolarHBondContact OD1-O 2.81Å; E317-K319 VanDerWaalsContact C-N 3.33Å; K319-L321 HydrophobicContact CB-CD2 4.41Å
320L98.3Very high98Very high8 Ų831.6 Ų31.64%0.04216%0.155CC..EExtended strand (participates in β ladder)trans-96.9118.1175.4-172.771.3000109.2G234 L238 I246 F283 F312 I461G234-L320 WeakPolarHBondContact CA-O 3.03Å; L238-L320 HydrophobicContact CD1-CB 4.4Å; L238-L320 HydrophobicContact CD1-CD2 4.06Å; L238-L320 HydrophobicContact CD2-CD2 4.35Å; L238-L320 HydrophobicContact CG-CD2 4.01Å; I246-L320 HydrophobicContact CD1-CD1 4.45Å; I246-L320 HydrophobicContact CD1-CD2 3.35Å; I246-L320 HydrophobicContact CD1-CG 4.45Å; F283-L320 HydrophobicContact CB-CD1 4.38Å; F283-L320 HydrophobicContact CD2-CD1 3.68Å; F283-L320 HydrophobicContact CE2-CD1 4.32Å; F283-L320 HydrophobicContact CG-CD1 4.17Å; F312-L320 HydrophobicContact CB-CD1 3.6Å; F312-L320 HydrophobicContact CB-CD2 4.46Å; F312-L320 HydrophobicContact CB-CG 3.9Å; F312-L320 HydrophobicContact CD1-CD2 4.21Å; F312-L320 HydrophobicContact CD1-CG 4.02Å; F312-L320 HydrophobicContact CG-CD1 4.39Å; F312-L320 HydrophobicContact CG-CD2 4.41Å; F312-L320 HydrophobicContact CG-CG 4.23Å; L320-I461 HydrophobicContact CD1-CD1 4.29Å
321L98.6Very high97.9Very high41 Ų4134.3 Ų34.322%0.21517%0.173CC..EExtended strand (participates in β ladder)trans-118.3129.7-174.1-57.4178.3000110.8D231 F312 Y313 N315 K319 I323D231-L321 HydrophobicContact CB-CD2 3.61Å; F312-L321 CarbonylContact C-O 3.45Å; F312-L321 WeakPolarHBondContact CA-O 3.49Å; Y313-L321 PolarHBondContact N-O 2.98Å; Y313-L321 PolarHBondContact O-N 3.28Å; N315-L321 HydrophobicContact CB-CD1 4.32Å; K319-L321 HydrophobicContact CB-CD2 4.41Å; L321-I323 PolarHBondContact O-N 3.29Å
322P98.8Very high97.7Very high1 Ų137.1 Ų37.11%0.00619%0.192CC..EExtended strand (participates in β ladder)trans-66.3128.6167.830-36.3000110.3D230 F233 F312 P340 W347 K351D230-P322 HydrophobicContact CB-CG 3.95Å; D230-P322 WeakPolarHBondContact O-CD 3.31Å; F233-P322 HydrophobicContact CB-CG 4.4Å; F233-P322 HydrophobicContact CD1-CB 3.82Å; F233-P322 HydrophobicContact CD1-CG 3.54Å; F233-P322 HydrophobicContact CE1-CB 3.85Å; F233-P322 HydrophobicContact CE1-CG 4.08Å; F233-P322 HydrophobicContact CG-CG 4.22Å; F312-P322 HydrophobicContact CD1-CB 4.12Å; F312-P322 HydrophobicContact CE1-CB 4.06Å; P322-P340 WeakPolarHBondContact O-CG 3.32Å; P322-W347 HydrophobicContact CB-CH2 4.07Å; P322-W347 HydrophobicContact CB-CZ2 3.84Å; P322-W347 HydrophobicContact CG-CZ2 3.84Å; P322-K351 HydrophobicContact CG-CD 4.49Å
323I98.8Very high97.5Very high1 Ų145.3 Ų45.31%0.00523%0.23CC..EExtended strand (participates in β ladder)trans-119.5-16.8-178.355.2164.5000113.5V263 F266 L267 I282 L311 L321 L339 P340V263-I323 HydrophobicContact CB-CD1 4.06Å; V263-I323 HydrophobicContact CG1-CB 4.37Å; V263-I323 HydrophobicContact CG1-CD1 4.01Å; V263-I323 HydrophobicContact CG1-CG1 4.35Å; F266-I323 HydrophobicContact CB-CB 4.39Å; F266-I323 HydrophobicContact CB-CG2 3.66Å; F266-I323 HydrophobicContact CD2-CB 4.25Å; F266-I323 HydrophobicContact CD2-CG2 4.38Å; F266-I323 HydrophobicContact CG-CG2 4.29Å; L267-I323 HydrophobicContact CD2-CD1 4.2Å; I282-I323 HydrophobicContact CD1-CD1 4.21Å; L311-I323 HydrophobicContact CB-CG1 4.12Å; L311-I323 HydrophobicContact CD2-CD1 3.74Å; L311-I323 HydrophobicContact CD2-CG1 4.09Å; L311-I323 HydrophobicContact CG-CD1 4.07Å; L311-I323 HydrophobicContact CG-CG1 4.1Å; L311-I323 WeakPolarHBondContact O-CG1 3.42Å; L311-I323 PolarHBondContact O-N 3.11Å; L321-I323 PolarHBondContact O-N 3.29Å; I323-L339 WeakPolarHBondContact O-CD2 3.41Å; I323-P340 VanDerWaalsContact O-CD 3.3Å; I323-P340 WeakPolarHBondContact O-CD 3.37Å
324A98.9Very high97.3Very high0 Ų050.5 Ų50.50%026%0.255CS..EExtended strand (participates in β ladder)trans-155.7141.2173.200000111.4F256 V258 V263 C310 L311 I337 F338 L339F256-A324 HydrophobicContact CE2-CB 4.48Å; F256-A324 HydrophobicContact CZ-CB 4.01Å; V258-A324 HydrophobicContact CG1-CB 4.34Å; V258-A324 HydrophobicContact CG2-CB 3.86Å; V263-A324 HydrophobicContact CG1-CB 4.43Å; C310-A324 WeakPolarHBondContact CA-O 3.22Å; L311-A324 HydrophobicContact CB-CB 4.1Å; L311-A324 PolarHBondContact N-O 3.09Å; L311-A324 PolarHBondContact O-N 3.35Å; A324-I337 HydrophobicContact CB-CG2 3.88Å; A324-F338 CarbonylContact C-O 3.47Å; A324-F338 WeakPolarHBondContact CA-O 3.22Å; A324-L339 HydrophobicContact CB-CD2 4Å
325I98.9Very high97.3Very high0 Ų048.4 Ų48.40%025%0.246CC..EExtended strand (participates in β ladder)trans-133.5125.9174.4-63.1174.9000110F233 L309 C310 L327 I337 F338 W347 A350 K351 F354F233-I325 HydrophobicContact CZ-CD1 4.27Å; L309-I325 WeakPolarHBondContact O-CA 3.48Å; C310-I325 HydrophobicContact CB-CG1 4.1Å; C310-I325 VanDerWaalsContact SG-CG1 3.59Å; I325-L327 HydrophobicContact CG2-CD2 3.66Å; I325-L327 HydrophobicContact CG2-CG 4.33Å; I325-I337 CarbonylContact O-C 3.51Å; I325-I337 WeakPolarHBondContact O-CA 3.18Å; I325-F338 PolarHBondContact N-O 3.25Å; I325-F338 PolarHBondContact O-N 3.21Å; I325-W347 HydrophobicContact CB-CZ3 4.06Å; I325-W347 HydrophobicContact CD1-CE3 4.47Å; I325-W347 HydrophobicContact CD1-CH2 3.68Å; I325-W347 HydrophobicContact CD1-CZ2 4.4Å; I325-W347 HydrophobicContact CD1-CZ3 3.71Å; I325-W347 HydrophobicContact CG1-CH2 3.77Å; I325-W347 HydrophobicContact CG1-CZ3 3.76Å; I325-A350 HydrophobicContact CB-CB 4.29Å; I325-A350 HydrophobicContact CD1-CB 4.37Å; I325-A350 HydrophobicContact CG2-CB 4.12Å; I325-K351 HydrophobicContact CD1-CB 4.49Å; I325-K351 HydrophobicContact CD1-CG 3.72Å; I325-F354 HydrophobicContact CG2-CB 4.4Å; I325-F354 HydrophobicContact CG2-CD2 4.31Å
326Q98.8Very high97.3Very high1 Ų148.6 Ų48.61%0.00525%0.248CC..EExtended strand (participates in β ladder)trans-112.4129.8165.5-172.2179-78.800108N255 F256 G308 L309 Y328 Q329 N335 I337N255-Q326 PolarHBondContact O-NE2 2.84Å; F256-Q326 HydrophobicContact CD2-CB 3.8Å; F256-Q326 HydrophobicContact CE2-CB 3.59Å; G308-Q326 CarbonylContact C-O 3.58Å; G308-Q326 WeakPolarHBondContact CA-O 3.12Å; L309-Q326 PolarHBondContact N-O 3.06Å; L309-Q326 PolarHBondContact O-N 3.38Å; Q326-Y328 WeakPolarHBondContact CG-O 3.29Å; Q326-Y328 PolarHBondContact NE2-O 3.3Å; Q326-Q329 PolarHBondContact NE2-O 2.9Å; Q326-N335 VanDerWaalsContact CG-ND2 3.3Å; Q326-N335 WeakPolarHBondContact CG-ND2 3.42Å; Q326-I337 HydrophobicContact CB-CG1 4.27Å; Q326-I337 HydrophobicContact CG-CG1 4.44Å
327L98.4Very high97.4Very high0 Ų045.4 Ų45.40%023%0.227CC..SBendtrans-87.4-14.9-168.8-65.6177.4000114.4A306 A307 G308 I325 N335 F338 A350 F353 P571 P572A306-L327 HydrophobicContact CB-CB 4.43Å; A306-L327 HydrophobicContact CB-CD2 4.45Å; A306-L327 WeakPolarHBondContact CB-O 3.07Å; A307-L327 CarbonylContact C-O 3.24Å; A307-L327 PolarHBondContact N-O 2.93Å; G308-L327 WeakPolarHBondContact CA-O 3.26Å; G308-L327 PolarHBondContact N-O 3.45Å; I325-L327 HydrophobicContact CG2-CD2 3.66Å; I325-L327 HydrophobicContact CG2-CG 4.33Å; L327-N335 PolarHBondContact N-OD1 3.44Å; L327-F338 HydrophobicContact CD1-CD2 4.32Å; L327-F338 HydrophobicContact CD1-CE2 3.78Å; L327-F338 HydrophobicContact CG-CD2 4.33Å; L327-F338 HydrophobicContact CG-CE2 4.13Å; L327-A350 HydrophobicContact CD2-CB 4.49Å; L327-A350 WeakPolarHBondContact CD2-O 3.16Å; L327-F353 HydrophobicContact CD1-CB 4.31Å; L327-F353 HydrophobicContact CD2-CB 3.94Å; L327-P571 HydrophobicContact CD1-CB 3.86Å; L327-P572 HydrophobicContact CD1-CG 4.16Å
328Y98Very high97.6Very high72 Ų7239 Ų3928%0.28220%0.197SC..SBendtrans-130.2164.6172.4-55.6-81.2000111.9A307 Q326 Q330 N335 P571A307-Y328 CarbonylContact O-C 3.37Å; Q326-Y328 WeakPolarHBondContact CG-O 3.29Å; Q326-Y328 PolarHBondContact NE2-O 3.3Å; Y328-Q330 PolarHBondContact O-N 3.41Å; Y328-N335 WeakPolarHBondContact CB-ND2 3.23Å; Y328-N335 HydrophobicContact CD2-CB 4.28Å; Y328-N335 PolarHBondContact N-OD1 2.94Å; Y328-N335 VanDerWaalsContact N-OD1 3.1Å; Y328-N335 PolarHBondContact O-ND2 2.98Å; Y328-P571 HydrophobicContact CE2-CB 4.23Å; Y328-P571 HydrophobicContact CE2-CG 4.33Å; Y328-P571 VanDerWaalsContact OH-CD 3.32Å; Y328-P571 WeakPolarHBondContact OH-CD 3.09Å; Y328-P571 WeakPolarHBondContact OH-CG 3.44Å
329Q98.1Very high97.8Very high4 Ų439 Ų392%0.01919%0.194CC..SBendtrans-67.7-35.2-176.4-72-65.9-54.900113.8N255 D286 K288 D291 A307 Q326N255-Q329 WeakPolarHBondContact CB-O 3.45Å; N255-Q329 PolarHBondContact ND2-O 2.97Å; N255-Q329 PolarHBondContact ND2-OE1 2.99Å; N255-Q329 VanDerWaalsContact ND2-OE1 3.14Å; D286-Q329 PolarHBondContact OD1-NE2 3.11Å; K288-Q329 HydrophobicContact CB-CG 4.47Å; K288-Q329 HydrophobicContact CG-CG 4.39Å; D291-Q329 HydrophobicContact CB-CG 3.88Å; A307-Q329 HydrophobicContact CB-CG 4.35Å; A307-Q329 WeakPolarHBondContact O-CG 3.21Å; A307-Q329 PolarHBondContact O-N 3.39Å; A307-Q329 PolarHBondContact O-NE2 3.14Å; Q326-Q329 PolarHBondContact NE2-O 2.9Å
330Q97.6Very high97.8Very high133 Ų13336 Ų3662%0.62118%0.184SC*.SBendtrans-96.5122.9-175.1-61.9-55.7-4200111.5Y328 N335Y328-Q330 PolarHBondContact O-N 3.41Å; Q330-N335 PolarHBondContact O-ND2 3.35Å
331P96.8Very high97.9Very high57 Ų5739.3 Ų39.337%0.3721%0.208SC..  trans-67.8135.5177.828.4-32.8000110.4P257P257-P331 HydrophobicContact CG-CB 3.87Å; P257-P331 HydrophobicContact CG-CG 4.35Å
332S95.7Very high97.8Very high58 Ų5839 Ų3941%0.40621%0.207SC..BIsolated β-bridgetrans-160.6170.1175.775.50000111.2Q334 N335S332-Q334 PolarHBondContact O-N 2.86Å; S332-Q334 PolarHBondContact OG-N 3.34Å; S332-N335 CarbonylContact O-C 3.53Å; S332-N335 VanDerWaalsContact O-C 3.24Å; S332-N335 PolarHBondContact O-N 3.37Å; S332-N335 PolarHBondContact OG-N 3.04Å; S332-N335 VanDerWaalsContact OG-N 3.14Å
333E93.7Very high97.8Very high172 Ų17243 Ų4380%0.80423%0.228SC*.THydrogen-bonded Turntrans-60.1-28172.2-66.2-176.4171.100112.6
334Q95.1Very high97.8Very high116 Ų11648.3 Ų48.354%0.54225%0.252SS..THydrogen-bonded Turntrans-911.4175.8-58.482.621.400113.6S332 V573S332-Q334 PolarHBondContact O-N 2.86Å; S332-Q334 PolarHBondContact OG-N 3.34Å; Q334-V573 HydrophobicContact CB-CB 4.21Å; Q334-V573 WeakPolarHBondContact O-CA 3.44Å; Q334-V573 WeakPolarHBondContact O-CB 3.45Å; Q334-V573 WeakPolarHBondContact O-CG1 3.3Å
335N97.4Very high97.7Very high8 Ų848.9 Ų48.94%0.04326%0.256CS..BIsolated β-bridgetrans-133.168.1174.4-179.433.4000109.2Q326 L327 Y328 Q330 S332Q326-N335 VanDerWaalsContact CG-ND2 3.3Å; Q326-N335 WeakPolarHBondContact CG-ND2 3.42Å; L327-N335 PolarHBondContact N-OD1 3.44Å; Y328-N335 WeakPolarHBondContact CB-ND2 3.23Å; Y328-N335 HydrophobicContact CD2-CB 4.28Å; Y328-N335 PolarHBondContact N-OD1 2.94Å; Y328-N335 VanDerWaalsContact N-OD1 3.1Å; Y328-N335 PolarHBondContact O-ND2 2.98Å; Q330-N335 PolarHBondContact O-ND2 3.35Å; S332-N335 CarbonylContact O-C 3.53Å; S332-N335 VanDerWaalsContact O-C 3.24Å; S332-N335 PolarHBondContact O-N 3.37Å; S332-N335 PolarHBondContact OG-N 3.04Å; S332-N335 VanDerWaalsContact OG-N 3.14Å
336P97.8Very high97.7Very high23 Ų2349 Ų4915%0.14926%0.256CS..  trans-67.4154.6-178.229.8-35.6000111.3F338 K575P336-F338 HydrophobicContact CG-CE1 4.16Å; P336-F338 HydrophobicContact CG-CE2 3.85Å; P336-F338 HydrophobicContact CG-CZ 3.61Å; P336-F338 WeakPolarHBondContact O-CD2 3.46Å; P336-F338 PolarHBondContact O-N 3.42Å; P336-K575 HydrophobicContact CB-CG 4.35Å; P336-K575 HydrophobicContact CG-CG 4.33Å
337I98.8Very high97.7Very high15 Ų1549.5 Ų49.58%0.07726%0.258CS..EExtended strand (participates in β ladder)trans-82.1112.4166.9-61.7170.4000107.7F256 P257 V258 M262 A324 I325 Q326 L339 K575F256-I337 HydrophobicContact CD2-CD1 4.24Å; F256-I337 HydrophobicContact CD2-CG1 4.38Å; F256-I337 HydrophobicContact CE2-CD1 4.31Å; F256-I337 HydrophobicContact CE2-CG1 4.18Å; F256-I337 HydrophobicContact CE2-CG2 4.24Å; P257-I337 HydrophobicContact CG-CD1 4.07Å; V258-I337 HydrophobicContact CG2-CD1 4.12Å; V258-I337 HydrophobicContact CG2-CG2 4.36Å; M262-I337 HydrophobicContact CE-CB 3.7Å; M262-I337 HydrophobicContact CE-CD1 4.09Å; M262-I337 HydrophobicContact CE-CG1 4.47Å; M262-I337 HydrophobicContact CE-CG2 3.79Å; M262-I337 HydrophobicContact SD-CD1 4.26Å; A324-I337 HydrophobicContact CB-CG2 3.88Å; I325-I337 CarbonylContact O-C 3.51Å; I325-I337 WeakPolarHBondContact O-CA 3.18Å; Q326-I337 HydrophobicContact CB-CG1 4.27Å; Q326-I337 HydrophobicContact CG-CG1 4.44Å; I337-L339 HydrophobicContact CG2-CD2 4.14Å; I337-K575 WeakPolarHBondContact O-CE 3.4Å; I337-K575 PolarHBondContact O-NZ 2.88Å
338F98.8Very high97.7Very high0 Ų049.7 Ų49.70%026%0.259CS..EExtended strand (participates in β ladder)trans-78.7142173.9-60.7-87000110.8A324 I325 L327 P336 D342 D346 W347 A350 P572 K575A324-F338 CarbonylContact C-O 3.47Å; A324-F338 WeakPolarHBondContact CA-O 3.22Å; I325-F338 PolarHBondContact N-O 3.25Å; I325-F338 PolarHBondContact O-N 3.21Å; L327-F338 HydrophobicContact CD1-CD2 4.32Å; L327-F338 HydrophobicContact CD1-CE2 3.78Å; L327-F338 HydrophobicContact CG-CD2 4.33Å; L327-F338 HydrophobicContact CG-CE2 4.13Å; P336-F338 HydrophobicContact CG-CE1 4.16Å; P336-F338 HydrophobicContact CG-CE2 3.85Å; P336-F338 HydrophobicContact CG-CZ 3.61Å; P336-F338 WeakPolarHBondContact O-CD2 3.46Å; P336-F338 PolarHBondContact O-N 3.42Å; F338-D342 VanDerWaalsContact CA-OD2 3.24Å; F338-D342 WeakPolarHBondContact CA-OD2 3.06Å; F338-D346 HydrophobicContact CD1-CB 4.13Å; F338-D346 HydrophobicContact CE1-CB 4.22Å; F338-W347 HydrophobicContact CB-CE3 4.07Å; F338-W347 HydrophobicContact CB-CZ3 4.22Å; F338-W347 WeakPolarHBondContact O-CZ3 3.3Å; F338-A350 HydrophobicContact CB-CB 3.68Å; F338-A350 HydrophobicContact CD1-CB 4.31Å; F338-A350 HydrophobicContact CD2-CB 3.78Å; F338-A350 HydrophobicContact CG-CB 3.66Å; F338-P572 HydrophobicContact CE1-CB 4.42Å; F338-P572 HydrophobicContact CE1-CG 4.15Å; F338-P572 HydrophobicContact CE2-CG 4.35Å; F338-P572 HydrophobicContact CZ-CB 4.02Å; F338-P572 HydrophobicContact CZ-CG 3.67Å; F338-K575 HydrophobicContact CD1-CG 4.21Å; F338-K575 HydrophobicContact CE1-CG 4.02Å
339L98.8Very high97.7Very high13 Ų1346.4 Ų46.47%0.06825%0.247CC..  trans-127.9154.9-177.8-58.9173.3000110M262 F266 I323 A324 I337 S341 D342 W347M262-L339 HydrophobicContact CB-CD1 4.01Å; M262-L339 HydrophobicContact CB-CD2 4.19Å; M262-L339 HydrophobicContact CE-CD1 4.18Å; M262-L339 HydrophobicContact CE-CD2 4.44Å; F266-L339 HydrophobicContact CE2-CB 4.25Å; F266-L339 HydrophobicContact CZ-CB 4.38Å; I323-L339 WeakPolarHBondContact O-CD2 3.41Å; A324-L339 HydrophobicContact CB-CD2 4Å; I337-L339 HydrophobicContact CG2-CD2 4.14Å; L339-S341 PolarHBondContact O-N 3.23Å; L339-D342 PolarHBondContact N-OD2 3.39Å; L339-D342 WeakPolarHBondContact O-CB 3.23Å; L339-D342 PolarHBondContact O-N 2.81Å; L339-W347 VanDerWaalsContact C-CE3 3.5Å
340P98.7Very high97.7Very high32 Ų3246.2 Ų46.221%0.20825%0.246CC..THydrogen-bonded Turntrans-56.8-21.8173.4-2329.3000114.7F266 P322 I323 D342 W347F266-P340 HydrophobicContact CD1-CB 4.22Å; F266-P340 HydrophobicContact CD1-CG 4.24Å; F266-P340 HydrophobicContact CD2-CG 4.35Å; F266-P340 HydrophobicContact CE1-CB 3.71Å; F266-P340 HydrophobicContact CE1-CG 4.02Å; F266-P340 HydrophobicContact CE2-CG 4.16Å; F266-P340 HydrophobicContact CG-CG 4.4Å; F266-P340 HydrophobicContact CZ-CB 3.92Å; F266-P340 HydrophobicContact CZ-CG 3.99Å; P322-P340 WeakPolarHBondContact O-CG 3.32Å; I323-P340 VanDerWaalsContact O-CD 3.3Å; I323-P340 WeakPolarHBondContact O-CD 3.37Å; P340-D342 VanDerWaalsContact C-N 3.34Å; P340-W347 HydrophobicContact CB-CZ2 4.33Å; P340-W347 HydrophobicContact CG-CH2 4.07Å; P340-W347 HydrophobicContact CG-CZ2 3.66Å
341S98.3Very high97.7Very high79 Ų7940.3 Ų40.355%0.55222%0.218SC*.THydrogen-bonded Turntrans-82.2-7.5176.858.70000114.5L339L339-S341 PolarHBondContact O-N 3.23Å
342D98.6Very high97.8Very high34 Ų3437.8 Ų37.818%0.18220%0.201CC..SBendtrans-69.7175.2175.2-66-31.6000110.8F338 L339 P340 E344 D346 K575F338-D342 VanDerWaalsContact CA-OD2 3.24Å; F338-D342 WeakPolarHBondContact CA-OD2 3.06Å; L339-D342 PolarHBondContact N-OD2 3.39Å; L339-D342 WeakPolarHBondContact O-CB 3.23Å; L339-D342 PolarHBondContact O-N 2.81Å; P340-D342 VanDerWaalsContact C-N 3.34Å; D342-E344 PolarHBondContact O-N 3.34Å; D342-D346 HydrophobicContact CB-CB 4.47Å; D342-K575 IonicContact OD1-NZ 2.74Å; D342-K575 PolarHBondContact OD1-NZ 3.12Å; D342-K575 WeakPolarHBondContact OD2-CE 3.41Å; D342-K575 IonicContact OD2-NZ 3.53Å; D342-K575 PolarHBondContact OD2-NZ 3.19Å
343L98Very high97.9Very high85 Ų8535 Ų3545%0.44518%0.182SC..  trans-53.2133.7174-176.567000110T345 D346 W347 S578L343-T345 VanDerWaalsContact CD2-OG1 3.23Å; L343-T345 WeakPolarHBondContact CD2-OG1 3.33Å; L343-T345 WeakPolarHBondContact CG-OG1 3.49Å; L343-T345 PolarHBondContact O-N 3.18Å; L343-D346 HydrophobicContact CB-CB 4.42Å; L343-D346 WeakPolarHBondContact CB-OD2 3.38Å; L343-D346 WeakPolarHBondContact O-CB 3.3Å; L343-D346 PolarHBondContact O-N 2.89Å; L343-W347 PolarHBondContact O-N 2.83Å; L343-W347 VanDerWaalsContact O-N 3.08Å; L343-S578 WeakPolarHBondContact CD2-O 3.02Å
344E97.8Very high98.2Very high112 Ų11226.8 Ų26.852%0.52314%0.144SC..Hα-helixtrans-47.4-42.9-175.5-175.5-165.6156.200111.9K228 D342 W347 L348K228-E344 IonicContact NZ-OE1 3.36Å; K228-E344 PolarHBondContact NZ-OE1 3.37Å; D342-E344 PolarHBondContact O-N 3.34Å; E344-W347 PolarHBondContact O-N 2.91Å; E344-L348 HydrophobicContact CG-CD1 3.96Å; E344-L348 HydrophobicContact CG-CG 4.37Å; E344-L348 WeakPolarHBondContact O-CB 3.45Å; E344-L348 WeakPolarHBondContact O-CG 3.25Å; E344-L348 PolarHBondContact O-N 3.4Å
345T97.7Very high98.3Very high13 Ų1321.5 Ų21.58%0.0812%0.119CC..Hα-helixtrans-69.8-33-179.2460000113.6L343 L349 S578 M580 L583L343-T345 VanDerWaalsContact CD2-OG1 3.23Å; L343-T345 WeakPolarHBondContact CD2-OG1 3.33Å; L343-T345 WeakPolarHBondContact CG-OG1 3.49Å; L343-T345 PolarHBondContact O-N 3.18Å; T345-L349 WeakPolarHBondContact O-CB 3.14Å; T345-L349 WeakPolarHBondContact O-CG 3.49Å; T345-L349 PolarHBondContact O-N 3.44Å; T345-S578 PolarHBondContact OG1-O 3Å; T345-M580 HydrophobicContact CG2-CG 4.3Å; T345-M580 HydrophobicContact CG2-SD 4Å; T345-L583 HydrophobicContact CG2-CD1 4.37Å
346D98.4Very high98.3Very high1 Ų121.3 Ų21.31%0.00512%0.118CC..Hα-helixtrans-68.3-45.7173.1-67.8-31.2000110.5F338 D342 L343 L349 A350 G576 S578F338-D346 HydrophobicContact CD1-CB 4.13Å; F338-D346 HydrophobicContact CE1-CB 4.22Å; D342-D346 HydrophobicContact CB-CB 4.47Å; L343-D346 HydrophobicContact CB-CB 4.42Å; L343-D346 WeakPolarHBondContact CB-OD2 3.38Å; L343-D346 WeakPolarHBondContact O-CB 3.3Å; L343-D346 PolarHBondContact O-N 2.89Å; D346-L349 PolarHBondContact O-N 3.07Å; D346-A350 PolarHBondContact O-N 2.83Å; D346-G576 WeakPolarHBondContact OD2-CA 3.4Å; D346-G576 PolarHBondContact OD2-N 2.64Å; D346-S578 WeakPolarHBondContact OD1-CB 3.45Å; D346-S578 PolarHBondContact OD1-N 3.02Å; D346-S578 PolarHBondContact OD1-OG 3.12Å
347W98.6Very high98.4Very high13 Ų1320.3 Ų20.35%0.04911%0.111CC..Hα-helixtrans-63-43.7178.9-176.8-128.1000111.6D230 P322 I325 F338 L339 P340 L343 E344 L349 A350 K351D230-W347 PolarHBondContact OD1-NE1 2.98Å; D230-W347 PolarHBondContact OD2-NE1 2.91Å; D230-W347 VanDerWaalsContact OD2-NE1 3.17Å; P322-W347 HydrophobicContact CB-CH2 4.07Å; P322-W347 HydrophobicContact CB-CZ2 3.84Å; P322-W347 HydrophobicContact CG-CZ2 3.84Å; I325-W347 HydrophobicContact CB-CZ3 4.06Å; I325-W347 HydrophobicContact CD1-CE3 4.47Å; I325-W347 HydrophobicContact CD1-CH2 3.68Å; I325-W347 HydrophobicContact CD1-CZ2 4.4Å; I325-W347 HydrophobicContact CD1-CZ3 3.71Å; I325-W347 HydrophobicContact CG1-CH2 3.77Å; I325-W347 HydrophobicContact CG1-CZ3 3.76Å; F338-W347 HydrophobicContact CB-CE3 4.07Å; F338-W347 HydrophobicContact CB-CZ3 4.22Å; F338-W347 WeakPolarHBondContact O-CZ3 3.3Å; L339-W347 VanDerWaalsContact C-CE3 3.5Å; P340-W347 HydrophobicContact CB-CZ2 4.33Å; P340-W347 HydrophobicContact CG-CH2 4.07Å; P340-W347 HydrophobicContact CG-CZ2 3.66Å; L343-W347 PolarHBondContact O-N 2.83Å; L343-W347 VanDerWaalsContact O-N 3.08Å; E344-W347 PolarHBondContact O-N 2.91Å; W347-L349 PolarHBondContact O-N 2.83Å; W347-A350 HydrophobicContact CE3-CB 4.49Å; W347-A350 PolarHBondContact O-N 3.41Å; W347-K351 HydrophobicContact CD2-CG 4.37Å; W347-K351 HydrophobicContact CZ2-CD 4.15Å; W347-K351 HydrophobicContact CZ2-CG 4.28Å; W347-K351 WeakPolarHBondContact O-CG 3.37Å; W347-K351 PolarHBondContact O-N 3.38Å
348L98.3Very high98.3Very high4 Ų419.6 Ų19.62%0.02111%0.108CC..Hα-helixtrans-62-40.6174.6-72.8175.9000112.5W227 K228 E344 K351 L352 L583W227-L348 HydrophobicContact CH2-CD1 4.48Å; W227-L348 HydrophobicContact CH2-CD2 4.49Å; W227-L348 HydrophobicContact CZ3-CD2 4.13Å; K228-L348 HydrophobicContact CB-CD2 3.99Å; K228-L348 HydrophobicContact CD-CD1 4.1Å; K228-L348 HydrophobicContact CD-CD2 4.45Å; K228-L348 HydrophobicContact CG-CD1 4.29Å; K228-L348 HydrophobicContact CG-CD2 3.83Å; E344-L348 HydrophobicContact CG-CD1 3.96Å; E344-L348 HydrophobicContact CG-CG 4.37Å; E344-L348 WeakPolarHBondContact O-CB 3.45Å; E344-L348 WeakPolarHBondContact O-CG 3.25Å; E344-L348 PolarHBondContact O-N 3.4Å; L348-K351 PolarHBondContact O-N 2.87Å; L348-L352 WeakPolarHBondContact O-CB 3.39Å; L348-L352 PolarHBondContact O-N 2.84Å; L348-L583 HydrophobicContact CB-CD1 4.21Å; L348-L583 HydrophobicContact CB-CD2 4.49Å; L348-L583 HydrophobicContact CD1-CD1 4.25Å
349L98.1Very high98.3Very high3 Ų319.8 Ų19.82%0.01611%0.109CC..Hα-helixtrans-65.4-44.1175.4-80.1168.3000111.8T345 D346 W347 K351 L352 F353 P572 S578 T582 L583 V586T345-L349 WeakPolarHBondContact O-CB 3.14Å; T345-L349 WeakPolarHBondContact O-CG 3.49Å; T345-L349 PolarHBondContact O-N 3.44Å; D346-L349 PolarHBondContact O-N 3.07Å; W347-L349 PolarHBondContact O-N 2.83Å; L349-K351 VanDerWaalsContact C-N 3.33Å; L349-K351 PolarHBondContact O-N 2.92Å; L349-L352 PolarHBondContact O-N 3.11Å; L349-F353 HydrophobicContact CD2-CE2 4.2Å; L349-F353 VanDerWaalsContact O-CD2 3.32Å; L349-F353 WeakPolarHBondContact O-CD2 3.31Å; L349-F353 PolarHBondContact O-N 3.38Å; L349-P572 HydrophobicContact CB-CG 4.08Å; L349-S578 VanDerWaalsContact CD1-OG 3.27Å; L349-S578 WeakPolarHBondContact CD1-OG 3.16Å; L349-T582 HydrophobicContact CD1-CG2 3.95Å; L349-L583 HydrophobicContact CD2-CD2 3.5Å; L349-L583 HydrophobicContact CD2-CG 3.95Å; L349-L583 HydrophobicContact CG-CD2 3.75Å; L349-L583 HydrophobicContact CG-CG 3.97Å; L349-V586 HydrophobicContact CD2-CG2 3.76Å
350A98.6Very high98.3Very high0 Ų019.3 Ų19.30%011%0.106CC..Hα-helixtrans-58.5-46.7176.800000111.2I325 L327 F338 D346 W347 L352 F354I325-A350 HydrophobicContact CB-CB 4.29Å; I325-A350 HydrophobicContact CD1-CB 4.37Å; I325-A350 HydrophobicContact CG2-CB 4.12Å; L327-A350 HydrophobicContact CD2-CB 4.49Å; L327-A350 WeakPolarHBondContact CD2-O 3.16Å; F338-A350 HydrophobicContact CB-CB 3.68Å; F338-A350 HydrophobicContact CD1-CB 4.31Å; F338-A350 HydrophobicContact CD2-CB 3.78Å; F338-A350 HydrophobicContact CG-CB 3.66Å; D346-A350 PolarHBondContact O-N 2.83Å; W347-A350 HydrophobicContact CE3-CB 4.49Å; W347-A350 PolarHBondContact O-N 3.41Å; A350-L352 PolarHBondContact O-N 3.34Å; A350-F354 WeakPolarHBondContact O-CB 3.33Å; A350-F354 PolarHBondContact O-N 2.97Å; A350-F354 VanDerWaalsContact O-N 3.09Å
351K98.7Very high98.2Very high8 Ų818 Ų184%0.03510%0.097CC..Hα-helixtrans-59.3-45.3173.6-73.6-165.3-57.8178.30112.5K228 D230 F233 P322 I325 W347 L348 L349 F354 R355K228-K351 PolarHBondContact O-NZ 3.36Å; D230-K351 WeakPolarHBondContact OD1-CE 3.33Å; D230-K351 IonicContact OD1-NZ 3.12Å; D230-K351 PolarHBondContact OD1-NZ 3.42Å; F233-K351 HydrophobicContact CB-CD 4.25Å; F233-K351 HydrophobicContact CD1-CD 4.43Å; F233-K351 HydrophobicContact CD2-CB 3.87Å; F233-K351 HydrophobicContact CD2-CD 3.63Å; F233-K351 HydrophobicContact CD2-CG 3.88Å; F233-K351 HydrophobicContact CE2-CB 3.46Å; F233-K351 VanDerWaalsContact CE2-CB 3.46Å; F233-K351 HydrophobicContact CE2-CD 3.91Å; F233-K351 HydrophobicContact CE2-CG 3.6Å; F233-K351 HydrophobicContact CG-CD 3.88Å; F233-K351 HydrophobicContact CG-CG 4.45Å; F233-K351 HydrophobicContact CZ-CB 4.25Å; F233-K351 HydrophobicContact CZ-CD 4.48Å; F233-K351 HydrophobicContact CZ-CG 4.04Å; P322-K351 HydrophobicContact CG-CD 4.49Å; I325-K351 HydrophobicContact CD1-CB 4.49Å; I325-K351 HydrophobicContact CD1-CG 3.72Å; W347-K351 HydrophobicContact CD2-CG 4.37Å; W347-K351 HydrophobicContact CZ2-CD 4.15Å; W347-K351 HydrophobicContact CZ2-CG 4.28Å; W347-K351 WeakPolarHBondContact O-CG 3.37Å; W347-K351 PolarHBondContact O-N 3.38Å; L348-K351 PolarHBondContact O-N 2.87Å; L349-K351 VanDerWaalsContact C-N 3.33Å; L349-K351 PolarHBondContact O-N 2.92Å; K351-F354 PolarHBondContact O-N 3.34Å; K351-R355 WeakPolarHBondContact O-CB 3.38Å; K351-R355 VanDerWaalsContact O-CG 3.31Å; K351-R355 WeakPolarHBondContact O-CG 3.29Å; K351-R355 PolarHBondContact O-N 3.34Å
352L98.3Very high98.2Very high4 Ų414.2 Ų14.22%0.0217%0.071CC..Hα-helixtrans-61.8-48-179.8174.164000112.5L348 L349 A350 F354 R355 S356 L567 L583 V586 F587L348-L352 WeakPolarHBondContact O-CB 3.39Å; L348-L352 PolarHBondContact O-N 2.84Å; L349-L352 PolarHBondContact O-N 3.11Å; A350-L352 PolarHBondContact O-N 3.34Å; L352-F354 VanDerWaalsContact C-N 3.33Å; L352-R355 PolarHBondContact O-N 2.97Å; L352-S356 VanDerWaalsContact O-CB 3.24Å; L352-S356 WeakPolarHBondContact O-CB 3.38Å; L352-S356 PolarHBondContact O-N 3.44Å; L352-S356 PolarHBondContact O-OG 3.24Å; L352-L567 HydrophobicContact CD1-CD2 4.42Å; L352-L567 HydrophobicContact CD2-CD2 4.31Å; L352-L567 HydrophobicContact CG-CD2 4.33Å; L352-L583 HydrophobicContact CD2-CD2 4.11Å; L352-V586 HydrophobicContact CD2-CG1 4.37Å; L352-F587 HydrophobicContact CD1-CE1 3.84Å; L352-F587 HydrophobicContact CD2-CD1 4.14Å; L352-F587 HydrophobicContact CD2-CE1 3.4Å; L352-F587 HydrophobicContact CD2-CZ 3.92Å; L352-F587 HydrophobicContact CG-CE1 4.28Å
353F98.4Very high98.2Very high0 Ų012.8 Ų12.80%06%0.063CC..Hα-helixtrans-64.9-39.4179.3-85.9-77.4000111.9A306 L327 L349 S357 L567 K569 P570 P571 V586A306-F353 HydrophobicContact CB-CB 4.27Å; L327-F353 HydrophobicContact CD1-CB 4.31Å; L327-F353 HydrophobicContact CD2-CB 3.94Å; L349-F353 HydrophobicContact CD2-CE2 4.2Å; L349-F353 VanDerWaalsContact O-CD2 3.32Å; L349-F353 WeakPolarHBondContact O-CD2 3.31Å; L349-F353 PolarHBondContact O-N 3.38Å; F353-S357 PolarHBondContact O-N 2.8Å; F353-S357 VanDerWaalsContact O-N 3.13Å; F353-S357 PolarHBondContact O-OG 3.27Å; F353-L567 HydrophobicContact CD1-CD1 3.36Å; F353-L567 HydrophobicContact CE1-CB 4.22Å; F353-L567 HydrophobicContact CE1-CD1 3.44Å; F353-L567 VanDerWaalsContact CE1-CD1 3.44Å; F353-L567 HydrophobicContact CE1-CG 4.49Å; F353-L567 HydrophobicContact CG-CD1 3.99Å; F353-L567 HydrophobicContact CZ-CD1 4.11Å; F353-K569 VanDerWaalsContact CZ-O 3.29Å; F353-K569 WeakPolarHBondContact CZ-O 3.49Å; F353-P570 VanDerWaalsContact CZ-C 3.48Å; F353-P570 WeakPolarHBondContact CZ-O 3.35Å; F353-P571 HydrophobicContact CD1-CB 4.23Å; F353-P571 HydrophobicContact CD1-CG 3.6Å; F353-P571 HydrophobicContact CD2-CB 4.27Å; F353-P571 HydrophobicContact CE1-CB 4.27Å; F353-P571 HydrophobicContact CE1-CG 3.6Å; F353-P571 HydrophobicContact CE2-CB 4.34Å; F353-P571 HydrophobicContact CG-CB 4.23Å; F353-P571 HydrophobicContact CG-CG 4.08Å; F353-P571 HydrophobicContact CZ-CB 4.33Å; F353-P571 HydrophobicContact CZ-CG 4.1Å; F353-V586 HydrophobicContact CE1-CG1 4.39Å; F353-V586 HydrophobicContact CE2-CG1 4Å; F353-V586 HydrophobicContact CE2-CG2 4.46Å; F353-V586 HydrophobicContact CZ-CG1 3.63Å
354F98.6Very high98.2Very high0 Ų08.8 Ų8.80%04%0.042CC..Hα-helixtrans-64.9-47.5175.6-165.7-92.6000111.9F233 F237 C285 Q287 C310 I325 A350 K351 L352 S356 S357 D358F233-F354 HydrophobicContact CZ-CD1 4.1Å; F237-F354 AromaticContact CE1-CE1 3.87Å; F237-F354 HydrophobicContact CE1-CE1 3.87Å; F237-F354 AromaticContact CZ-CD1 3.84Å; F237-F354 HydrophobicContact CZ-CD1 3.84Å; F237-F354 AromaticContact CZ-CE1 3.59Å; F237-F354 HydrophobicContact CZ-CE1 3.59Å; C285-F354 HydrophobicContact CB-CE1 4.09Å; C285-F354 HydrophobicContact CB-CZ 3.75Å; Q287-F354 HydrophobicContact CG-CE2 3.92Å; Q287-F354 HydrophobicContact CG-CZ 3.94Å; Q287-F354 PolarHBondContact NE2-O 2.98Å; C310-F354 HydrophobicContact CB-CD1 3.97Å; C310-F354 HydrophobicContact CB-CD2 4.07Å; C310-F354 HydrophobicContact CB-CE1 3.47Å; C310-F354 VanDerWaalsContact CB-CE1 3.47Å; C310-F354 HydrophobicContact CB-CE2 3.58Å; C310-F354 HydrophobicContact CB-CG 4.25Å; C310-F354 HydrophobicContact CB-CZ 3.26Å; I325-F354 HydrophobicContact CG2-CB 4.4Å; I325-F354 HydrophobicContact CG2-CD2 4.31Å; A350-F354 WeakPolarHBondContact O-CB 3.33Å; A350-F354 PolarHBondContact O-N 2.97Å; A350-F354 VanDerWaalsContact O-N 3.09Å; K351-F354 PolarHBondContact O-N 3.34Å; L352-F354 VanDerWaalsContact C-N 3.33Å; F354-S356 PolarHBondContact O-N 3.49Å; F354-S357 PolarHBondContact O-N 3.04Å; F354-D358 PolarHBondContact O-N 3.1Å
355R98.1Very high98.2Very high5 Ų53.5 Ų3.52%0.0192%0.017CC..Hα-helixtrans-64.8-37176.8-73.8-70.7-52.7122.46.4113.1F233 K351 L352 S357 D358 L359 N562F233-R355 HydrophobicContact CD2-CG 3.75Å; F233-R355 HydrophobicContact CE2-CG 3.23Å; F233-R355 HydrophobicContact CZ-CG 4.05Å; K351-R355 WeakPolarHBondContact O-CB 3.38Å; K351-R355 VanDerWaalsContact O-CG 3.31Å; K351-R355 WeakPolarHBondContact O-CG 3.29Å; K351-R355 PolarHBondContact O-N 3.34Å; L352-R355 PolarHBondContact O-N 2.97Å; R355-S357 VanDerWaalsContact C-N 3.32Å; R355-D358 IonicContact CZ-OD2 2.77Å; R355-D358 VanDerWaalsContact NH1-CG 3.32Å; R355-D358 IonicContact NH1-OD2 2.95Å; R355-D358 PolarHBondContact NH1-OD2 3.28Å; R355-D358 WeakPolarHBondContact O-CB 3.34Å; R355-D358 PolarHBondContact O-N 2.59Å; R355-L359 WeakPolarHBondContact O-CB 3.38Å; R355-L359 PolarHBondContact O-N 2.91Å; R355-N562 WeakPolarHBondContact CB-O 3.49Å
356S98Very high98.2Very high3 Ų34.6 Ų4.62%0.0212%0.02CC..Hα-helixtrans-66.1-38177.6-62.90000111.4L352 F354 L359 I360 S564L352-S356 VanDerWaalsContact O-CB 3.24Å; L352-S356 WeakPolarHBondContact O-CB 3.38Å; L352-S356 PolarHBondContact O-N 3.44Å; L352-S356 PolarHBondContact O-OG 3.24Å; F354-S356 PolarHBondContact O-N 3.49Å; S356-L359 PolarHBondContact O-N 2.99Å; S356-I360 WeakPolarHBondContact O-CG1 3.03Å; S356-I360 PolarHBondContact O-N 3Å; S356-S564 WeakPolarHBondContact CB-O 3.3Å; S356-S564 PolarHBondContact OG-N 3.19Å; S356-S564 VanDerWaalsContact OG-N 3.14Å; S356-S564 PolarHBondContact OG-O 3.25Å
357S98.1Very high98.2Very high2 Ų24.6 Ų4.61%0.0142%0.021CC..Hα-helixtrans-70.2-37174.3-51.60000111.7A306 F353 F354 R355 I360 Q361A306-S357 WeakPolarHBondContact CB-OG 3.3Å; A306-S357 PolarHBondContact N-OG 3.06Å; A306-S357 WeakPolarHBondContact O-CB 3.12Å; A306-S357 PolarHBondContact O-OG 3.4Å; A306-S357 VanDerWaalsContact O-OG 3.13Å; F353-S357 PolarHBondContact O-N 2.8Å; F353-S357 VanDerWaalsContact O-N 3.13Å; F353-S357 PolarHBondContact O-OG 3.27Å; F354-S357 PolarHBondContact O-N 3.04Å; R355-S357 VanDerWaalsContact C-N 3.32Å; S357-I360 PolarHBondContact O-N 3.39Å; S357-Q361 WeakPolarHBondContact O-CG 3.36Å; S357-Q361 PolarHBondContact O-N 2.85Å
358D98.3Very high98.1Very high1 Ų14.3 Ų4.31%0.0052%0.02CC..Hα-helixtrans-63.2-42171.6-179.576.9000112N242 V245 F354 R355 I360 Q361 H362N242-D358 PolarHBondContact ND2-OD1 3.43Å; N242-D358 PolarHBondContact ND2-OD2 2.82Å; V245-D358 WeakPolarHBondContact CG2-OD1 3.47Å; F354-D358 PolarHBondContact O-N 3.1Å; R355-D358 IonicContact CZ-OD2 2.77Å; R355-D358 VanDerWaalsContact NH1-CG 3.32Å; R355-D358 IonicContact NH1-OD2 2.95Å; R355-D358 PolarHBondContact NH1-OD2 3.28Å; R355-D358 WeakPolarHBondContact O-CB 3.34Å; R355-D358 PolarHBondContact O-N 2.59Å; D358-I360 VanDerWaalsContact C-N 3.33Å; D358-I360 PolarHBondContact O-N 2.89Å; D358-Q361 WeakPolarHBondContact O-CB 3.37Å; D358-Q361 PolarHBondContact O-N 3.42Å; D358-H362 WeakPolarHBondContact O-CB 3.48Å; D358-H362 PolarHBondContact O-N 3.01Å
359L97.8Very high98.1Very high3 Ų34.1 Ų4.12%0.0162%0.019CC..Hα-helixtrans-64-38.3177.3179.257.2000111.8R355 S356 H362 Q363 N557 L565R355-L359 WeakPolarHBondContact O-CB 3.38Å; R355-L359 PolarHBondContact O-N 2.91Å; S356-L359 PolarHBondContact O-N 2.99Å; L359-H362 WeakPolarHBondContact O-CB 3.5Å; L359-H362 PolarHBondContact O-N 3.14Å; L359-Q363 HydrophobicContact CD1-CG 4.37Å; L359-Q363 WeakPolarHBondContact O-CG 3.31Å; L359-Q363 PolarHBondContact O-N 3.32Å; L359-N557 HydrophobicContact CD1-CB 4.1Å; L359-N557 VanDerWaalsContact CD1-CG 3.42Å; L359-N557 WeakPolarHBondContact CD1-ND2 3.45Å; L359-N557 HydrophobicContact CD2-CB 4.34Å; L359-L565 HydrophobicContact CD2-CD2 4.22Å; L359-L565 HydrophobicContact CD2-CG 4.2Å; L359-L565 HydrophobicContact CG-CD2 3.81Å; L359-L565 HydrophobicContact CG-CG 4.33Å
360I98Very high98.1Very high3 Ų34.3 Ų4.32%0.0152%0.02CC..Hα-helixtrans-65-44.3173.3-68.6169.7000110.5M290 V305 S356 S357 D358 Q363 T364 L426 L431 L434 L565M290-I360 HydrophobicContact CE-CB 4.38Å; M290-I360 HydrophobicContact CE-CG2 3.87Å; V305-I360 HydrophobicContact CG1-CD1 4.29Å; V305-I360 HydrophobicContact CG2-CD1 3.73Å; S356-I360 WeakPolarHBondContact O-CG1 3.03Å; S356-I360 PolarHBondContact O-N 3Å; S357-I360 PolarHBondContact O-N 3.39Å; D358-I360 VanDerWaalsContact C-N 3.33Å; D358-I360 PolarHBondContact O-N 2.89Å; I360-Q363 PolarHBondContact O-N 2.92Å; I360-T364 VanDerWaalsContact O-CB 3.25Å; I360-T364 WeakPolarHBondContact O-CB 3.37Å; I360-T364 PolarHBondContact O-N 3.13Å; I360-T364 PolarHBondContact O-OG1 3.37Å; I360-L426 HydrophobicContact CG2-CD1 3.51Å; I360-L426 HydrophobicContact CG2-CG 3.97Å; I360-L431 HydrophobicContact CG2-CD2 4.18Å; I360-L434 HydrophobicContact CG2-CD2 4.39Å; I360-L565 HydrophobicContact CG1-CD2 4Å
361Q97.9Very high98.1Very high4 Ų44.3 Ų4.32%0.0192%0.02CC..Hα-helixtrans-61.3-43.6174.8-73.2-178.629.600112.2Q287 I289 M290 S357 D358 T364 L365Q287-Q361 VanDerWaalsContact CB-NE2 3.34Å; I289-Q361 HydrophobicContact CG2-CG 4.48Å; M290-Q361 HydrophobicContact CE-CG 4.37Å; M290-Q361 HydrophobicContact CG-CG 3.98Å; M290-Q361 HydrophobicContact SD-CG 3.38Å; M290-Q361 WeakPolarHBondContact SD-CG 3.41Å; S357-Q361 WeakPolarHBondContact O-CG 3.36Å; S357-Q361 PolarHBondContact O-N 2.85Å; D358-Q361 WeakPolarHBondContact O-CB 3.37Å; D358-Q361 PolarHBondContact O-N 3.42Å; Q361-T364 PolarHBondContact O-N 2.97Å; Q361-L365 HydrophobicContact CB-CD1 4.5Å; Q361-L365 VanDerWaalsContact O-CB 3.3Å; Q361-L365 WeakPolarHBondContact O-CB 3.33Å; Q361-L365 PolarHBondContact O-N 3.21Å
362H98.4Very high98.1Very high0 Ų04 Ų40%02%0.018CC..Iπ-helixtrans-53.1-57.5175.2165.2-104000111.7T241 N242 D358 L359 T364 Y366 H367 V549T241-H362 PolarHBondContact O-CD2 3.33Å; T241-H362 PolarHBondContact O-NE2 2.91Å; N242-H362 HydrophobicContact CB-CB 3.89Å; D358-H362 WeakPolarHBondContact O-CB 3.48Å; D358-H362 PolarHBondContact O-N 3.01Å; L359-H362 WeakPolarHBondContact O-CB 3.5Å; L359-H362 PolarHBondContact O-N 3.14Å; H362-T364 VanDerWaalsContact C-N 3.29Å; H362-T364 PolarHBondContact O-N 2.74Å; H362-Y366 PolarHBondContact O-N 3.25Å; H362-H367 WeakPolarHBondContact O-CB 3.3Å; H362-H367 PolarHBondContact O-N 3.47Å; H362-V549 PolarHBondContact CE1-O 2.84Å; H362-V549 PolarHBondContact NE2-O 3.01Å
363Q97.6Very high98.1Very high4 Ų44.5 Ų4.52%0.0192%0.02CC..Iπ-helixtrans-60.8-40.8-178.4-71.5-59.3-5000112.1L359 I360 L368 L421 L565L359-Q363 HydrophobicContact CD1-CG 4.37Å; L359-Q363 WeakPolarHBondContact O-CG 3.31Å; L359-Q363 PolarHBondContact O-N 3.32Å; I360-Q363 PolarHBondContact O-N 2.92Å; Q363-L368 WeakPolarHBondContact O-CB 3.49Å; Q363-L368 PolarHBondContact O-N 3.47Å; Q363-L421 HydrophobicContact CB-CD2 3.97Å; Q363-L421 HydrophobicContact CG-CD2 4.27Å; Q363-L565 HydrophobicContact CB-CD2 4.5Å; Q363-L565 HydrophobicContact CG-CD2 3.83Å
364T97.8Very high98.1Very high2 Ų24.5 Ų4.51%0.0122%0.02CC..Iπ-helixtrans-83.2-46.2-169.5-49.10000112.5I360 Q361 H362 L369 L431 L434 M435I360-T364 VanDerWaalsContact O-CB 3.25Å; I360-T364 WeakPolarHBondContact O-CB 3.37Å; I360-T364 PolarHBondContact O-N 3.13Å; I360-T364 PolarHBondContact O-OG1 3.37Å; Q361-T364 PolarHBondContact O-N 2.97Å; H362-T364 VanDerWaalsContact C-N 3.29Å; H362-T364 PolarHBondContact O-N 2.74Å; T364-L369 WeakPolarHBondContact O-CB 3.23Å; T364-L369 PolarHBondContact O-N 2.92Å; T364-L431 HydrophobicContact CG2-CB 4.2Å; T364-L431 HydrophobicContact CG2-CD2 3.93Å; T364-L431 WeakPolarHBondContact OG1-CD2 2.85Å; T364-L434 HydrophobicContact CG2-CB 4.33Å; T364-L434 HydrophobicContact CG2-CD2 3.94Å; T364-L434 HydrophobicContact CG2-CG 4.22Å; T364-M435 HydrophobicContact CG2-CG 3.48Å; T364-M435 VanDerWaalsContact CG2-CG 3.48Å; T364-M435 HydrophobicContact CG2-SD 4.28Å
365L98.1Very high98.1Very high0 Ų04.5 Ų4.50%02%0.02CC..Iπ-helixtrans-97.6-62.8-170.1-56.8-179.1000110.5I289 Q361 H367 L369 H370 L434 M435 D438I289-L365 HydrophobicContact CD1-CD1 3.9Å; Q361-L365 HydrophobicContact CB-CD1 4.5Å; Q361-L365 VanDerWaalsContact O-CB 3.3Å; Q361-L365 WeakPolarHBondContact O-CB 3.33Å; Q361-L365 PolarHBondContact O-N 3.21Å; L365-H367 PolarHBondContact O-N 3.49Å; L365-L369 HydrophobicContact CD2-CD2 4.25Å; L365-L369 WeakPolarHBondContact O-CB 3.42Å; L365-L369 PolarHBondContact O-N 3.31Å; L365-H370 WeakPolarHBondContact O-CB 3.4Å; L365-H370 PolarHBondContact O-CD2 3.44Å; L365-H370 PolarHBondContact O-N 3.35Å; L365-L434 HydrophobicContact CD1-CD1 4.11Å; L365-L434 HydrophobicContact CD1-CG 4.22Å; L365-L434 HydrophobicContact CD2-CG 3.95Å; L365-L434 HydrophobicContact CG-CD2 4.44Å; L365-L434 HydrophobicContact CG-CG 4.18Å; L365-M435 HydrophobicContact CD2-CG 4.23Å; L365-D438 HydrophobicContact CD1-CB 4.1Å; L365-D438 HydrophobicContact CD2-CB 3.46Å; L365-D438 VanDerWaalsContact CD2-CB 3.46Å; L365-D438 HydrophobicContact CG-CB 4.35Å
366Y98.1Very high98.1Very high36 Ų364.2 Ų4.214%0.1412%0.019CC..Iπ-helixtrans-78.2-25.5-168.5-56.9-68.1000113.3N242 N244 V245 H362 H370 T371N242-Y366 WeakPolarHBondContact OD1-CD2 3.32Å; N244-Y366 HydrophobicContact CB-CD1 3.48Å; N244-Y366 VanDerWaalsContact CB-CD1 3.48Å; N244-Y366 HydrophobicContact CB-CD2 4.17Å; N244-Y366 HydrophobicContact CB-CE1 3.42Å; N244-Y366 VanDerWaalsContact CB-CE1 3.42Å; N244-Y366 HydrophobicContact CB-CE2 4.14Å; N244-Y366 HydrophobicContact CB-CG 3.86Å; V245-Y366 HydrophobicContact CG1-CE2 3.54Å; H362-Y366 PolarHBondContact O-N 3.25Å; Y366-H370 AromaticContact CD1-CE1 3.81Å; Y366-H370 AromaticContact CD1-ND1 3.44Å; Y366-H370 WeakPolarHBondContact CD1-ND1 3.43Å; Y366-H370 AromaticContact CE1-CE1 3.86Å; Y366-H370 AromaticContact CE1-ND1 3.94Å; Y366-T371 WeakPolarHBondContact O-CG2 3.32Å
367H97.9Very high98.1Very high2 Ų24.1 Ų4.11%0.0092%0.018CC..Iπ-helixtrans-93.1-73.7171.9-171.6-144.6000110.5H362 L365 T371 H372 H546 V549 N550 Q553H362-H367 WeakPolarHBondContact O-CB 3.3Å; H362-H367 PolarHBondContact O-N 3.47Å; L365-H367 PolarHBondContact O-N 3.49Å; H367-T371 PolarHBondContact O-N 2.82Å; H367-T371 PolarHBondContact O-OG1 3.01Å; H367-H372 AromaticContact CD2-CD2 3.99Å; H367-H372 AromaticContact CD2-NE2 3.89Å; H367-H372 AromaticContact CE1-NE2 3.96Å; H367-H372 AromaticContact NE2-CD2 3.96Å; H367-H372 AromaticContact NE2-NE2 3.4Å; H367-H372 PolarHBondContact NE2-NE2 2.83Å; H367-H372 PolarHBondContact O-N 3.39Å; H367-H546 AromaticContact NE2-NE2 3.74Å; H367-V549 HydrophobicContact CB-CG2 4.3Å; H367-N550 PolarHBondContact NE2-OD1 2.99Å; H367-Q553 PolarHBondContact CE1-NE2 3.03Å; H367-Q553 VanDerWaalsContact CE1-NE2 3.27Å
368L96.8Very high98.1Very high6 Ų64 Ų43%0.0312%0.017CC..Iπ-helixtrans-65-53.7-171.4-171.466.8000114.1Q363 H372 Y373 V410 L415 M435Q363-L368 WeakPolarHBondContact O-CB 3.49Å; Q363-L368 PolarHBondContact O-N 3.47Å; L368-H372 HydrophobicContact CD1-CB 4.23Å; L368-H372 VanDerWaalsContact O-CB 3.32Å; L368-H372 WeakPolarHBondContact O-CB 3.5Å; L368-H372 PolarHBondContact O-N 3.13Å; L368-Y373 HydrophobicContact CD1-CD1 4.15Å; L368-Y373 HydrophobicContact CD1-CE1 3.74Å; L368-Y373 HydrophobicContact CD2-CE1 4.26Å; L368-Y373 HydrophobicContact CG-CD1 4.13Å; L368-Y373 HydrophobicContact CG-CE1 3.79Å; L368-Y373 PolarHBondContact O-N 3.02Å; L368-V410 HydrophobicContact CD1-CG1 4.46Å; L368-L415 HydrophobicContact CD2-CD1 4.42Å; L368-M435 HydrophobicContact CD2-SD 4.19Å
369L98.1Very high98.2Very high0 Ų04 Ų40%02%0.017CC..Iπ-helixtrans-71-55.1-175.3-178.163.6000111.7P154 T364 L365 Y373 L374 M435 D438 L439P154-L369 HydrophobicContact CG-CD1 3.82Å; T364-L369 WeakPolarHBondContact O-CB 3.23Å; T364-L369 PolarHBondContact O-N 2.92Å; L365-L369 HydrophobicContact CD2-CD2 4.25Å; L365-L369 WeakPolarHBondContact O-CB 3.42Å; L365-L369 PolarHBondContact O-N 3.31Å; L369-Y373 HydrophobicContact CD1-CD2 4.2Å; L369-Y373 WeakPolarHBondContact O-CB 3.09Å; L369-L374 PolarHBondContact O-N 3.29Å; L369-M435 HydrophobicContact CB-CG 4.15Å; L369-M435 HydrophobicContact CB-SD 4.17Å; L369-M435 HydrophobicContact CD1-CB 4.44Å; L369-M435 HydrophobicContact CD1-SD 4.43Å; L369-M435 HydrophobicContact CD2-CB 4.06Å; L369-M435 HydrophobicContact CD2-CG 4.29Å; L369-D438 HydrophobicContact CD2-CB 4.24Å; L369-L439 HydrophobicContact CD2-CB 4.49Å
370H98.4Very high98.2Very high7 Ų73.9 Ų3.93%0.0322%0.017CC..Iπ-helixtrans-84.5-11.3-167.9-54.4169.4000114.7L365 Y366 D438 R541L365-H370 WeakPolarHBondContact O-CB 3.4Å; L365-H370 PolarHBondContact O-CD2 3.44Å; L365-H370 PolarHBondContact O-N 3.35Å; Y366-H370 AromaticContact CD1-CE1 3.81Å; Y366-H370 AromaticContact CD1-ND1 3.44Å; Y366-H370 WeakPolarHBondContact CD1-ND1 3.43Å; Y366-H370 AromaticContact CE1-CE1 3.86Å; Y366-H370 AromaticContact CE1-ND1 3.94Å; H370-D438 IonicContact CD2-OD2 3.73Å; H370-D438 IonicContact CE1-OD2 3.83Å; H370-D438 PolarHBondContact CE1-OD2 3.19Å; H370-D438 IonicContact NE2-OD2 2.64Å; H370-D438 PolarHBondContact NE2-OD2 2.7Å; H370-R541 VanDerWaalsContact C-NH2 3.32Å; H370-R541 PolarHBondContact O-NE 2.9Å; H370-R541 VanDerWaalsContact O-NE 3.07Å; H370-R541 PolarHBondContact O-NH2 3.31Å
371T98.4Very high98.2Very high0 Ų03.8 Ų3.80%02%0.016CC..Iπ-helixtrans-111.4-64.3169.470.70000110Y366 H367 A375 Q545 H546 V549Y366-T371 WeakPolarHBondContact O-CG2 3.32Å; H367-T371 PolarHBondContact O-N 2.82Å; H367-T371 PolarHBondContact O-OG1 3.01Å; T371-A375 WeakPolarHBondContact O-CB 3.41Å; T371-A375 PolarHBondContact O-N 3.36Å; T371-Q545 HydrophobicContact CG2-CB 4.49Å; T371-Q545 HydrophobicContact CG2-CG 3.98Å; T371-H546 HydrophobicContact CG2-CB 4.14Å; T371-H546 PolarHBondContact OG1-CD2 2.96Å; T371-V549 HydrophobicContact CG2-CG2 4.31Å
372H98.3Very high98.3Very high1 Ų13.6 Ų3.61%0.0052%0.015CC..Iπ-helixtrans-63.4-55.3-174.1-73.8-97.3000113.6H367 L368 L374 A375 E376 N407 H546 V667 I669H367-H372 AromaticContact CD2-CD2 3.99Å; H367-H372 AromaticContact CD2-NE2 3.89Å; H367-H372 AromaticContact CE1-NE2 3.96Å; H367-H372 AromaticContact NE2-CD2 3.96Å; H367-H372 AromaticContact NE2-NE2 3.4Å; H367-H372 PolarHBondContact NE2-NE2 2.83Å; H367-H372 PolarHBondContact O-N 3.39Å; L368-H372 HydrophobicContact CD1-CB 4.23Å; L368-H372 VanDerWaalsContact O-CB 3.32Å; L368-H372 WeakPolarHBondContact O-CB 3.5Å; L368-H372 PolarHBondContact O-N 3.13Å; H372-L374 PolarHBondContact O-N 2.56Å; H372-A375 PolarHBondContact O-N 3.4Å; H372-E376 PolarHBondContact O-N 2.64Å; H372-N407 WeakPolarHBondContact CB-OD1 3.48Å; H372-N407 PolarHBondContact ND1-OD1 3.34Å; H372-N407 PolarHBondContact O-ND2 3.38Å; H372-H546 AromaticContact NE2-NE2 3.69Å; H372-V667 WeakPolarHBondContact CE1-CG1 2.94Å; H372-V667 VanDerWaalsContact ND1-CG1 3.31Å; H372-V667 WeakPolarHBondContact ND1-CG1 3.47Å; H372-I669 PolarHBondContact CE1-O 3.41Å
373Y98.1Very high98.2Very high15 Ų153.8 Ų3.86%0.0592%0.016CC..Iπ-helixtrans-67.6-41-173.3-79.928.4000111L368 L369 E376 V377 R411 M435L368-Y373 HydrophobicContact CD1-CD1 4.15Å; L368-Y373 HydrophobicContact CD1-CE1 3.74Å; L368-Y373 HydrophobicContact CD2-CE1 4.26Å; L368-Y373 HydrophobicContact CG-CD1 4.13Å; L368-Y373 HydrophobicContact CG-CE1 3.79Å; L368-Y373 PolarHBondContact O-N 3.02Å; L369-Y373 HydrophobicContact CD1-CD2 4.2Å; L369-Y373 WeakPolarHBondContact O-CB 3.09Å; Y373-E376 PolarHBondContact O-N 3.05Å; Y373-V377 WeakPolarHBondContact O-CG2 3.43Å; Y373-V377 PolarHBondContact O-N 2.7Å; Y373-R411 HydrophobicContact CE1-CG 4.48Å; Y373-M435 HydrophobicContact CE2-SD 4.32Å
374L98.4Very high98.3Very high0 Ų05.1 Ų5.10%02%0.021CC..Hα-helixtrans-65.1-39.6172.9-66.3-174.1000112.7L369 H372 E376 V377 F378 L447 F513L369-L374 PolarHBondContact O-N 3.29Å; H372-L374 PolarHBondContact O-N 2.56Å; L374-E376 VanDerWaalsContact C-N 3.29Å; L374-E376 PolarHBondContact O-N 2.87Å; L374-V377 WeakPolarHBondContact O-CB 3.3Å; L374-V377 PolarHBondContact O-N 3.42Å; L374-V377 VanDerWaalsContact O-N 3.16Å; L374-F378 HydrophobicContact CB-CE2 3.97Å; L374-F378 HydrophobicContact CB-CZ 3.99Å; L374-F378 WeakPolarHBondContact O-CD2 3.23Å; L374-F378 WeakPolarHBondContact O-CG 3.49Å; L374-F378 PolarHBondContact O-N 3.27Å; L374-L447 HydrophobicContact CD1-CD1 3.47Å; L374-L447 VanDerWaalsContact CD1-CD1 3.47Å; L374-F513 HydrophobicContact CD1-CZ 4.39Å; L374-F513 HydrophobicContact CD2-CE1 3.97Å; L374-F513 HydrophobicContact CD2-CZ 3.74Å
375A98.7Very high98.3Very high0 Ų05 Ų50%02%0.021CC..Hα-helixtrans-59.4-41.1174.700000111.5T371 H372 F378 T379 T403 V542 V667T371-A375 WeakPolarHBondContact O-CB 3.41Å; T371-A375 PolarHBondContact O-N 3.36Å; H372-A375 PolarHBondContact O-N 3.4Å; A375-F378 PolarHBondContact O-N 2.54Å; A375-T379 VanDerWaalsContact O-CB 3.3Å; A375-T379 WeakPolarHBondContact O-CB 3.39Å; A375-T379 PolarHBondContact O-N 3.49Å; A375-T379 PolarHBondContact O-OG1 3.02Å; A375-T403 HydrophobicContact CB-CG2 3.54Å; A375-V542 HydrophobicContact CB-CB 4.39Å; A375-V542 HydrophobicContact CB-CG1 3.57Å; A375-V667 HydrophobicContact CB-CB 4.3Å; A375-V667 HydrophobicContact CB-CG2 3.85Å
376E98.6Very high98.3Very high0 Ų05 Ų50%02%0.021CC..Hα-helixtrans-66.5-38.6175.6172.6165-162.100112.2S157 H372 Y373 L374 T379 I380 T403 L404 N407 R411S157-E376 VanDerWaalsContact CB-OE1 3.3Å; S157-E376 WeakPolarHBondContact CB-OE1 3.32Å; S157-E376 PolarHBondContact N-OE1 3.36Å; S157-E376 PolarHBondContact OG-OE1 3.19Å; H372-E376 PolarHBondContact O-N 2.64Å; Y373-E376 PolarHBondContact O-N 3.05Å; L374-E376 VanDerWaalsContact C-N 3.29Å; L374-E376 PolarHBondContact O-N 2.87Å; E376-T379 PolarHBondContact O-N 3.13Å; E376-I380 HydrophobicContact CG-CD1 3.69Å; E376-I380 HydrophobicContact CG-CG1 4.34Å; E376-I380 WeakPolarHBondContact O-CB 3.34Å; E376-I380 VanDerWaalsContact O-CG1 3.28Å; E376-I380 WeakPolarHBondContact O-CG1 3.23Å; E376-I380 PolarHBondContact O-N 3.19Å; E376-T403 HydrophobicContact CB-CG2 4.43Å; E376-L404 HydrophobicContact CB-CD2 4.4Å; E376-L404 HydrophobicContact CG-CD2 3.77Å; E376-N407 WeakPolarHBondContact CB-ND2 3.5Å; E376-N407 WeakPolarHBondContact OE2-CB 3.37Å; E376-N407 PolarHBondContact OE2-ND2 3.08Å; E376-R411 IonicContact OE1-CZ 3.59Å; E376-R411 IonicContact OE1-NH1 3.69Å; E376-R411 IonicContact OE1-NH2 2.64Å; E376-R411 PolarHBondContact OE1-NH2 3.13Å; E376-R411 VanDerWaalsContact OE1-NH2 3.12Å; E376-R411 IonicContact OE2-CZ 3.83Å; E376-R411 IonicContact OE2-NH1 2.89Å; E376-R411 PolarHBondContact OE2-NH1 2.9Å; E376-R411 IonicContact OE2-NH2 3.86Å; E376-R411 PolarHBondContact OE2-NH2 3.17Å; E376-R411 VanDerWaalsContact OE2-NH2 3.12Å
377V98.8Very high98.3Very high0 Ų03.3 Ų3.30%01%0.014CC..Hα-helixtrans-57.8-51.6171.8169.20000110.6W146 P154 Y373 L374 T379 I380 A381 I508W146-V377 HydrophobicContact CH2-CB 4.22Å; W146-V377 HydrophobicContact CH2-CG1 3.99Å; W146-V377 HydrophobicContact CH2-CG2 4.41Å; W146-V377 WeakPolarHBondContact CH2-O 3.37Å; W146-V377 HydrophobicContact CZ3-CB 4.45Å; W146-V377 HydrophobicContact CZ3-CG2 4.2Å; P154-V377 HydrophobicContact CB-CG2 3.88Å; Y373-V377 WeakPolarHBondContact O-CG2 3.43Å; Y373-V377 PolarHBondContact O-N 2.7Å; L374-V377 WeakPolarHBondContact O-CB 3.3Å; L374-V377 PolarHBondContact O-N 3.42Å; L374-V377 VanDerWaalsContact O-N 3.16Å; V377-T379 VanDerWaalsContact C-N 3.28Å; V377-T379 PolarHBondContact O-N 3.19Å; V377-I380 PolarHBondContact O-N 2.91Å; V377-A381 WeakPolarHBondContact O-CB 3.24Å; V377-A381 PolarHBondContact O-N 3.49Å; V377-I508 HydrophobicContact CG1-CB 4.36Å; V377-I508 HydrophobicContact CG1-CG1 4.29Å; V377-I508 HydrophobicContact CG1-CG2 4.03Å
378F98.8Very high98.1Very high0 Ų05.5 Ų5.50%03%0.028CC..Hα-helixtrans-61.4-39.5179.7-54.7-32.5000111.5L374 A375 T382 I508 M537 V538 V542L374-F378 HydrophobicContact CB-CE2 3.97Å; L374-F378 HydrophobicContact CB-CZ 3.99Å; L374-F378 WeakPolarHBondContact O-CD2 3.23Å; L374-F378 WeakPolarHBondContact O-CG 3.49Å; L374-F378 PolarHBondContact O-N 3.27Å; A375-F378 PolarHBondContact O-N 2.54Å; F378-T382 WeakPolarHBondContact O-CB 3.41Å; F378-T382 PolarHBondContact O-N 2.87Å; F378-T382 PolarHBondContact O-OG1 2.81Å; F378-I508 HydrophobicContact CD1-CD1 3.98Å; F378-I508 HydrophobicContact CD1-CG1 4.29Å; F378-I508 HydrophobicContact CD1-CG2 4.06Å; F378-I508 HydrophobicContact CE1-CG2 3.87Å; F378-M537 HydrophobicContact CE1-CE 4.48Å; F378-M537 HydrophobicContact CZ-CE 4.07Å; F378-M537 HydrophobicContact CZ-SD 4.09Å; F378-V538 HydrophobicContact CB-CG1 4.16Å; F378-V538 HydrophobicContact CD1-CG2 4.11Å; F378-V538 HydrophobicContact CD2-CB 4.32Å; F378-V538 HydrophobicContact CD2-CG1 3.79Å; F378-V538 HydrophobicContact CD2-CG2 4.1Å; F378-V538 HydrophobicContact CE1-CG2 4.13Å; F378-V538 HydrophobicContact CE2-CB 4.46Å; F378-V538 HydrophobicContact CE2-CG1 4.39Å; F378-V538 HydrophobicContact CE2-CG2 4.11Å; F378-V538 HydrophobicContact CG-CG1 4.02Å; F378-V538 HydrophobicContact CG-CG2 4.11Å; F378-V538 HydrophobicContact CZ-CG2 4.13Å; F378-V542 HydrophobicContact CD2-CG1 4.05Å
379T98.6Very high98.1Very high1 Ų15.4 Ų5.41%0.0063%0.027CC..Hα-helixtrans-63.2-51.9178.4-58.50000111.2A375 E376 V377 T382 L383 I400 L404A375-T379 VanDerWaalsContact O-CB 3.3Å; A375-T379 WeakPolarHBondContact O-CB 3.39Å; A375-T379 PolarHBondContact O-N 3.49Å; A375-T379 PolarHBondContact O-OG1 3.02Å; E376-T379 PolarHBondContact O-N 3.13Å; V377-T379 VanDerWaalsContact C-N 3.28Å; V377-T379 PolarHBondContact O-N 3.19Å; T379-T382 PolarHBondContact O-N 3.08Å; T379-L383 HydrophobicContact CG2-CD1 3.76Å; T379-L383 WeakPolarHBondContact O-CB 3.5Å; T379-L383 VanDerWaalsContact O-CG 3.25Å; T379-L383 WeakPolarHBondContact O-CG 3.32Å; T379-L383 PolarHBondContact O-N 2.91Å; T379-I400 HydrophobicContact CG2-CB 3.94Å; T379-I400 HydrophobicContact CG2-CD1 4.28Å; T379-I400 HydrophobicContact CG2-CG1 4.45Å; T379-I400 WeakPolarHBondContact OG1-CB 3.32Å; T379-L404 HydrophobicContact CG2-CD1 4.15Å; T379-L404 HydrophobicContact CG2-CD2 3.89Å; T379-L404 HydrophobicContact CG2-CG 3.73Å
380I98.4Very high98.1Very high1 Ų15.4 Ų5.41%0.0053%0.027CC..Hα-helixtrans-64.9-47-177.8-66.3166.3000110.5W146 S157 E376 V377 T382 L383 R384 L404W146-I380 HydrophobicContact CD2-CG2 3.78Å; W146-I380 VanDerWaalsContact CE2-CG2 3.5Å; W146-I380 HydrophobicContact CE3-CB 4.41Å; W146-I380 HydrophobicContact CE3-CD1 3.93Å; W146-I380 HydrophobicContact CE3-CG2 3.98Å; W146-I380 HydrophobicContact CH2-CB 3.7Å; W146-I380 HydrophobicContact CH2-CD1 4.37Å; W146-I380 HydrophobicContact CH2-CG2 3.77Å; W146-I380 HydrophobicContact CZ2-CB 3.91Å; W146-I380 HydrophobicContact CZ2-CG2 3.52Å; W146-I380 HydrophobicContact CZ3-CB 3.96Å; W146-I380 HydrophobicContact CZ3-CD1 3.75Å; W146-I380 HydrophobicContact CZ3-CG1 4.48Å; W146-I380 HydrophobicContact CZ3-CG2 3.98Å; S157-I380 VanDerWaalsContact CA-CD1 3.44Å; E376-I380 HydrophobicContact CG-CD1 3.69Å; E376-I380 HydrophobicContact CG-CG1 4.34Å; E376-I380 WeakPolarHBondContact O-CB 3.34Å; E376-I380 VanDerWaalsContact O-CG1 3.28Å; E376-I380 WeakPolarHBondContact O-CG1 3.23Å; E376-I380 PolarHBondContact O-N 3.19Å; V377-I380 PolarHBondContact O-N 2.91Å; I380-T382 VanDerWaalsContact C-N 3.34Å; I380-T382 PolarHBondContact O-N 2.81Å; I380-L383 PolarHBondContact O-N 3.26Å; I380-R384 HydrophobicContact CG2-CG 4.16Å; I380-R384 WeakPolarHBondContact O-CB 3.48Å; I380-R384 WeakPolarHBondContact O-CD 3.36Å; I380-R384 WeakPolarHBondContact O-CG 3.35Å; I380-R384 PolarHBondContact O-N 3Å; I380-L404 HydrophobicContact CD1-CD2 4.45Å; I380-L404 HydrophobicContact CG1-CD2 3.99Å
381A98.8Very high98Very high0 Ų05 Ų50%03%0.025CC..Hα-helixtrans-60.2-44.2177.500000111.3W146 V377 L383 R384 C385 W504 E507 I508W146-A381 HydrophobicContact CZ2-CB 4.24Å; V377-A381 WeakPolarHBondContact O-CB 3.24Å; V377-A381 PolarHBondContact O-N 3.49Å; A381-L383 PolarHBondContact O-N 3.2Å; A381-R384 PolarHBondContact O-N 3.49Å; A381-C385 VanDerWaalsContact O-CB 3.29Å; A381-C385 WeakPolarHBondContact O-CB 3.45Å; A381-C385 PolarHBondContact O-N 3.01Å; A381-C385 PolarHBondContact O-SG 3.5Å; A381-C385 VanDerWaalsContact O-SG 3.42Å; A381-W504 VanDerWaalsContact C-CD1 3.48Å; A381-E507 HydrophobicContact CB-CB 4.27Å; A381-I508 HydrophobicContact CB-CD1 4.15Å; A381-I508 HydrophobicContact CB-CG1 3.5Å; A381-I508 VanDerWaalsContact CB-CG1 3.5Å
382T98.7Very high98Very high0 Ų05.1 Ų5.10%03%0.026CC..Hα-helixtrans-59.7-46.8177.4-61.30000111.4F378 T379 I380 R384 L386 Y393 L396 I400 W504F378-T382 WeakPolarHBondContact O-CB 3.41Å; F378-T382 PolarHBondContact O-N 2.87Å; F378-T382 PolarHBondContact O-OG1 2.81Å; T379-T382 PolarHBondContact O-N 3.08Å; I380-T382 VanDerWaalsContact C-N 3.34Å; I380-T382 PolarHBondContact O-N 2.81Å; T382-R384 VanDerWaalsContact C-N 3.31Å; T382-R384 PolarHBondContact O-N 2.74Å; T382-L386 HydrophobicContact CG2-CD1 4.32Å; T382-L386 WeakPolarHBondContact O-CB 3.39Å; T382-L386 PolarHBondContact O-N 2.94Å; T382-L386 VanDerWaalsContact O-N 3.13Å; T382-Y393 HydrophobicContact CG2-CD2 4.14Å; T382-L396 HydrophobicContact CG2-CB 4.18Å; T382-L396 HydrophobicContact CG2-CD1 4.32Å; T382-I400 HydrophobicContact CG2-CD1 3.75Å; T382-W504 PolarHBondContact OG1-NE1 3.1Å
383L97.9Very high98Very high4 Ų46.3 Ų6.32%0.0213%0.03CC..Hα-helixtrans-66.3-33178.5-67.6167.4000111.8K140 Y144 V169 T379 I380 A381 Y393 I400 L404K140-L383 WeakPolarHBondContact CB-O 3.25Å; K140-L383 WeakPolarHBondContact CD-O 3.46Å; Y144-L383 HydrophobicContact CD1-CB 4.42Å; Y144-L383 HydrophobicContact CD1-CD1 3.89Å; Y144-L383 HydrophobicContact CD2-CB 3.94Å; Y144-L383 HydrophobicContact CE1-CD1 3.62Å; Y144-L383 HydrophobicContact CE2-CB 4.1Å; Y144-L383 HydrophobicContact CE2-CD1 4.44Å; Y144-L383 HydrophobicContact CG-CB 4.11Å; Y144-L383 HydrophobicContact CG-CD1 4.42Å; V169-L383 HydrophobicContact CG1-CD1 4.22Å; T379-L383 HydrophobicContact CG2-CD1 3.76Å; T379-L383 WeakPolarHBondContact O-CB 3.5Å; T379-L383 VanDerWaalsContact O-CG 3.25Å; T379-L383 WeakPolarHBondContact O-CG 3.32Å; T379-L383 PolarHBondContact O-N 2.91Å; I380-L383 PolarHBondContact O-N 3.26Å; A381-L383 PolarHBondContact O-N 3.2Å; L383-Y393 HydrophobicContact CD2-CE2 4.21Å; L383-I400 HydrophobicContact CD2-CD1 4.47Å; L383-I400 HydrophobicContact CG-CD1 4.34Å; L383-L404 HydrophobicContact CD1-CD1 4.21Å
384R98.1Very high97.9Very high32 Ų326 Ų612%0.1213%0.03CC..Hα-helixtrans-83.2-37.3-177.4-72170.256.469.59.1114.4L137 K141 Y144 I380 A381 T382 E507L137-R384 WeakPolarHBondContact CD2-O 3.2Å; K141-R384 VanDerWaalsContact CE-O 3.27Å; K141-R384 WeakPolarHBondContact CE-O 3.47Å; K141-R384 HydrophobicContact CG-CB 4.22Å; K141-R384 WeakPolarHBondContact CG-O 3.47Å; K141-R384 PolarHBondContact O-NH1 3.28Å; Y144-R384 WeakPolarHBondContact O-CD 3.5Å; Y144-R384 WeakPolarHBondContact O-CG 3.25Å; Y144-R384 PolarHBondContact O-NH1 2.83Å; I380-R384 HydrophobicContact CG2-CG 4.16Å; I380-R384 WeakPolarHBondContact O-CB 3.48Å; I380-R384 WeakPolarHBondContact O-CD 3.36Å; I380-R384 WeakPolarHBondContact O-CG 3.35Å; I380-R384 PolarHBondContact O-N 3Å; A381-R384 PolarHBondContact O-N 3.49Å; T382-R384 VanDerWaalsContact C-N 3.31Å; T382-R384 PolarHBondContact O-N 2.74Å; R384-E507 WeakPolarHBondContact CD-OE2 3.38Å; R384-E507 IonicContact CZ-OE1 3.22Å; R384-E507 IonicContact CZ-OE2 3.68Å; R384-E507 IonicContact NE-OE1 3.57Å; R384-E507 PolarHBondContact NE-OE1 3.07Å; R384-E507 VanDerWaalsContact NE-OE1 3.12Å; R384-E507 IonicContact NE-OE2 2.74Å; R384-E507 PolarHBondContact NE-OE2 3.23Å; R384-E507 IonicContact NH2-OE1 2.76Å; R384-E507 PolarHBondContact NH2-OE1 3.31Å; R384-E507 IonicContact NH2-OE2 2.71Å
385C98.4Very high97.9Very high0 Ų06.2 Ų6.20%03%0.03CC..Hα-helixtrans-102.5-27.9-167.3-580000112.8L137 A381 W504L137-C385 WeakPolarHBondContact CD2-O 3.48Å; A381-C385 VanDerWaalsContact O-CB 3.29Å; A381-C385 WeakPolarHBondContact O-CB 3.45Å; A381-C385 PolarHBondContact O-N 3.01Å; A381-C385 PolarHBondContact O-SG 3.5Å; A381-C385 VanDerWaalsContact O-SG 3.42Å; C385-W504 HydrophobicContact CB-CB 3.7Å; C385-W504 HydrophobicContact CB-CG 4.42Å
386L98.4Very high97.8Very high0 Ų06.2 Ų6.20%03%0.03CC..SBendtrans-107.3118.4-175.7-54-177.1000110.9K140 T382 H390 L392 Y393 L396 E500 W504K140-L386 PolarHBondContact NZ-O 2.95Å; T382-L386 HydrophobicContact CG2-CD1 4.32Å; T382-L386 WeakPolarHBondContact O-CB 3.39Å; T382-L386 PolarHBondContact O-N 2.94Å; T382-L386 VanDerWaalsContact O-N 3.13Å; L386-H390 HydrophobicContact CB-CB 4.32Å; L386-L392 HydrophobicContact CD1-CB 3.89Å; L386-Y393 HydrophobicContact CB-CD2 4.42Å; L386-Y393 WeakPolarHBondContact O-CD2 3.45Å; L386-L396 HydrophobicContact CD1-CD1 4.41Å; L386-E500 HydrophobicContact CD2-CB 4.3Å; L386-W504 HydrophobicContact CD1-CD2 4.38Å; L386-W504 HydrophobicContact CD1-CG 4.18Å; L386-W504 HydrophobicContact CD2-CB 4.02Å; L386-W504 HydrophobicContact CD2-CG 4.33Å; L386-W504 HydrophobicContact CG-CB 4.3Å; L386-W504 HydrophobicContact CG-CG 4.16Å
387P96.9Very high97.7Very high0 Ų07.1 Ų7.10%04%0.035CC..  trans-68.3156.5172.227.5-30.1000110.2R133 E136 L137 I389 H390 Y393 E500R133-P387 HydrophobicContact CG-CB 3.97Å; R133-P387 HydrophobicContact CG-CG 3.75Å; R133-P387 VanDerWaalsContact CZ-CG 3.47Å; E136-P387 VanDerWaalsContact OE2-CB 3.3Å; E136-P387 WeakPolarHBondContact OE2-CB 3.26Å; L137-P387 HydrophobicContact CD1-CG 4.43Å; L137-P387 HydrophobicContact CD2-CB 4.27Å; L137-P387 HydrophobicContact CG-CB 4.25Å; L137-P387 HydrophobicContact CG-CG 4.5Å; P387-I389 HydrophobicContact CB-CG2 4.34Å; P387-I389 HydrophobicContact CG-CG2 4.33Å; P387-I389 PolarHBondContact O-N 3.43Å; P387-I389 VanDerWaalsContact O-N 3.08Å; P387-H390 HydrophobicContact CG-CB 4.01Å; P387-H390 WeakPolarHBondContact O-CB 3.4Å; P387-H390 PolarHBondContact O-N 2.61Å; P387-Y393 VanDerWaalsContact O-CB 3.3Å; P387-Y393 WeakPolarHBondContact O-CB 3.35Å; P387-E500 VanDerWaalsContact CD-OE2 3.24Å; P387-E500 WeakPolarHBondContact CD-OE2 3.48Å; P387-E500 WeakPolarHBondContact CG-OE2 3.46Å
388T95.1Very high97.6Very high49 Ų498.3 Ų8.330%0.3014%0.043SC..THydrogen-bonded Turntrans-55.9-30.6-176.343.60000113.3E136 H390 Y393E136-T388 WeakPolarHBondContact OE1-CB 3.39Å; E136-T388 VanDerWaalsContact OE1-CG2 3.23Å; E136-T388 WeakPolarHBondContact OE1-CG2 3.25Å; E136-T388 PolarHBondContact OE1-N 3.39Å; E136-T388 PolarHBondContact OE1-OG1 2.95Å; E136-T388 PolarHBondContact OE2-OG1 3.49Å; T388-H390 VanDerWaalsContact C-N 3.32Å; T388-Y393 VanDerWaalsContact CA-CD1 3.49Å; T388-Y393 HydrophobicContact CG2-CD1 4.42Å; T388-Y393 HydrophobicContact CG2-CE1 3.76Å; T388-Y393 HydrophobicContact CG2-CE2 4.49Å; T388-Y393 WeakPolarHBondContact O-CD1 3.04Å
389I96.1Very high97.6Very high3 Ų38.3 Ų8.32%0.0154%0.043CC..THydrogen-bonded Turntrans-78.2-15.1178.2-163.258.7000113.2R114 G115 K117 G118 V119 P387R114-I389 HydrophobicContact CB-CB 4.32Å; R114-I389 HydrophobicContact CB-CD1 3.78Å; R114-I389 HydrophobicContact CB-CG1 4.24Å; R114-I389 HydrophobicContact CG-CB 4.48Å; G115-I389 WeakPolarHBondContact O-CD1 3.49Å; K117-I389 WeakPolarHBondContact O-CD1 3.42Å; G118-I389 CarbonylContact C-O 3.58Å; G118-I389 WeakPolarHBondContact CA-O 3.41Å; V119-I389 HydrophobicContact CB-CG1 4Å; V119-I389 HydrophobicContact CG2-CD1 4.47Å; V119-I389 HydrophobicContact CG2-CG1 4.08Å; V119-I389 PolarHBondContact N-O 2.75Å; P387-I389 HydrophobicContact CB-CG2 4.34Å; P387-I389 HydrophobicContact CG-CG2 4.33Å; P387-I389 PolarHBondContact O-N 3.43Å; P387-I389 VanDerWaalsContact O-N 3.08Å
390H97.9Very high97.4Very high0 Ų08.5 Ų8.50%04%0.044CC..SBendtrans-66.7135.2-179.3-172.4-84.2000110.6L386 P387 T388 L392 Y393 K394 D498 E500L386-H390 HydrophobicContact CB-CB 4.32Å; P387-H390 HydrophobicContact CG-CB 4.01Å; P387-H390 WeakPolarHBondContact O-CB 3.4Å; P387-H390 PolarHBondContact O-N 2.61Å; T388-H390 VanDerWaalsContact C-N 3.32Å; H390-L392 VanDerWaalsContact C-N 3.33Å; H390-L392 PolarHBondContact ND1-N 3.36Å; H390-L392 PolarHBondContact O-N 2.92Å; H390-Y393 WeakPolarHBondContact O-CB 3.39Å; H390-Y393 PolarHBondContact O-N 2.8Å; H390-K394 PolarHBondContact O-N 3.05Å; H390-D498 IonicContact NE2-OD1 3.09Å; H390-D498 IonicContact NE2-OD2 3.26Å; H390-E500 IonicContact CD2-OE2 2.73Å; H390-E500 PolarHBondContact CD2-OE2 3.14Å
391P97.1Very high97.1Very high0 Ų011.2 Ų11.20%06%0.058CC..Hα-helixtrans-49.9-49.3179.8-32.738.8000114.4K120 Y393 K394 V395 Y488K120-P391 HydrophobicContact CG-CG 4.28Å; P391-Y393 VanDerWaalsContact C-N 3.31Å; P391-Y393 PolarHBondContact O-N 3.38Å; P391-K394 WeakPolarHBondContact O-CB 3.39Å; P391-K394 PolarHBondContact O-N 3.22Å; P391-K394 VanDerWaalsContact O-N 3.12Å; P391-V395 PolarHBondContact O-N 3.39Å; P391-Y488 HydrophobicContact CB-CD1 3.88Å; P391-Y488 HydrophobicContact CB-CD2 3.46Å; P391-Y488 VanDerWaalsContact CB-CD2 3.46Å; P391-Y488 HydrophobicContact CB-CE1 3.99Å; P391-Y488 HydrophobicContact CB-CE2 3.56Å; P391-Y488 HydrophobicContact CB-CG 3.59Å; P391-Y488 HydrophobicContact CG-CD1 3.43Å; P391-Y488 VanDerWaalsContact CG-CD1 3.43Å; P391-Y488 HydrophobicContact CG-CD2 4.01Å; P391-Y488 HydrophobicContact CG-CE1 3.64Å; P391-Y488 HydrophobicContact CG-CE2 4.18Å; P391-Y488 HydrophobicContact CG-CG 3.61Å
392L97.9Very high96.9Very high2 Ų211.6 Ų11.61%0.016%0.061CC..Hα-helixtrans-70.8-23.7-178.4-59-174.3000113.9L386 H390 K394 V395 L396 V485 L501 V531 I535L386-L392 HydrophobicContact CD1-CB 3.89Å; H390-L392 VanDerWaalsContact C-N 3.33Å; H390-L392 PolarHBondContact ND1-N 3.36Å; H390-L392 PolarHBondContact O-N 2.92Å; L392-K394 VanDerWaalsContact C-N 3.31Å; L392-V395 HydrophobicContact CD2-CG2 4.47Å; L392-V395 PolarHBondContact O-N 3.19Å; L392-L396 VanDerWaalsContact O-CB 3.28Å; L392-L396 WeakPolarHBondContact O-CB 3.18Å; L392-L396 WeakPolarHBondContact O-CD1 3.33Å; L392-L396 WeakPolarHBondContact O-CG 3.48Å; L392-L396 PolarHBondContact O-N 2.92Å; L392-V485 HydrophobicContact CD2-CG2 4.35Å; L392-L501 HydrophobicContact CD1-CD1 3.68Å; L392-V531 HydrophobicContact CD1-CG1 4.13Å; L392-I535 HydrophobicContact CD1-CD1 4Å; L392-I535 HydrophobicContact CD2-CD1 3.42Å; L392-I535 VanDerWaalsContact CD2-CD1 3.42Å; L392-I535 HydrophobicContact CG-CD1 4.3Å
393Y97.9Very high96.8Very high26 Ų2611.6 Ų11.610%0.1026%0.061CC..Hα-helixtrans-62.4-46.1170.1177.3-85.2000109.7T382 L383 L386 P387 T388 H390 P391 V395 L396 I397T382-Y393 HydrophobicContact CG2-CD2 4.14Å; L383-Y393 HydrophobicContact CD2-CE2 4.21Å; L386-Y393 HydrophobicContact CB-CD2 4.42Å; L386-Y393 WeakPolarHBondContact O-CD2 3.45Å; P387-Y393 VanDerWaalsContact O-CB 3.3Å; P387-Y393 WeakPolarHBondContact O-CB 3.35Å; T388-Y393 VanDerWaalsContact CA-CD1 3.49Å; T388-Y393 HydrophobicContact CG2-CD1 4.42Å; T388-Y393 HydrophobicContact CG2-CE1 3.76Å; T388-Y393 HydrophobicContact CG2-CE2 4.49Å; T388-Y393 WeakPolarHBondContact O-CD1 3.04Å; H390-Y393 WeakPolarHBondContact O-CB 3.39Å; H390-Y393 PolarHBondContact O-N 2.8Å; P391-Y393 VanDerWaalsContact C-N 3.31Å; P391-Y393 PolarHBondContact O-N 3.38Å; Y393-V395 VanDerWaalsContact C-N 3.34Å; Y393-V395 PolarHBondContact O-N 3.49Å; Y393-L396 PolarHBondContact O-N 2.83Å; Y393-I397 HydrophobicContact CD1-CB 4.45Å; Y393-I397 HydrophobicContact CE1-CB 4.11Å; Y393-I397 HydrophobicContact CE1-CD1 4.34Å; Y393-I397 HydrophobicContact CE1-CG1 4.15Å; Y393-I397 HydrophobicContact CE1-CG2 4.48Å; Y393-I397 HydrophobicContact CE2-CD1 4.37Å; Y393-I397 WeakPolarHBondContact O-CB 3.47Å; Y393-I397 PolarHBondContact O-N 2.68Å
394K96.8Very high96.8Very high9 Ų911.5 Ų11.54%0.0396%0.06CC..Hα-helixtrans-65.6-35.7179.8-61.4173.7175.3-740112.4G116 H390 P391 L392 H620 F621G116-K394 WeakPolarHBondContact O-CE 3.4Å; G116-K394 PolarHBondContact O-NZ 3.09Å; H390-K394 PolarHBondContact O-N 3.05Å; P391-K394 WeakPolarHBondContact O-CB 3.39Å; P391-K394 PolarHBondContact O-N 3.22Å; P391-K394 VanDerWaalsContact O-N 3.12Å; L392-K394 VanDerWaalsContact C-N 3.31Å; K394-H620 HydrophobicContact CB-CB 4.06Å; K394-H620 HydrophobicContact CG-CB 4.17Å; K394-H620 PolarHBondContact NZ-O 3.38Å; K394-F621 HydrophobicContact CB-CD1 4.18Å; K394-F621 HydrophobicContact CB-CE1 3.5Å; K394-F621 HydrophobicContact CB-CE2 4.02Å; K394-F621 HydrophobicContact CB-CZ 3.41Å; K394-F621 VanDerWaalsContact CB-CZ 3.41Å; K394-F621 HydrophobicContact CD-CD1 3.96Å; K394-F621 HydrophobicContact CD-CE1 3.86Å; K394-F621 HydrophobicContact CG-CE1 4.34Å
395V97.6Very high96.7Very high3 Ų310.6 Ų10.62%0.0186%0.058CC..Hα-helixtrans-65.3-44.4172.81760000111P391 L392 Y393 P398 H399 M484 I535 I539 F621P391-V395 PolarHBondContact O-N 3.39Å; L392-V395 HydrophobicContact CD2-CG2 4.47Å; L392-V395 PolarHBondContact O-N 3.19Å; Y393-V395 VanDerWaalsContact C-N 3.34Å; Y393-V395 PolarHBondContact O-N 3.49Å; V395-P398 WeakPolarHBondContact O-CD 3.14Å; V395-H399 PolarHBondContact O-CD2 3.46Å; V395-M484 HydrophobicContact CG2-CB 4.27Å; V395-M484 HydrophobicContact CG2-CG 4.44Å; V395-M484 HydrophobicContact CG2-SD 4.44Å; V395-I535 HydrophobicContact CG1-CG2 4.27Å; V395-I539 HydrophobicContact CG1-CD1 4.26Å; V395-F621 HydrophobicContact CG2-CZ 3.77Å
396L98.1Very high96.5Very high0 Ų010.6 Ų10.60%06%0.058CC..Hα-helixtrans-88.3-22.7-169.4-67.3170000114.3T382 L386 L392 Y393 H399 I400 W504 I535 V538 I539T382-L396 HydrophobicContact CG2-CB 4.18Å; T382-L396 HydrophobicContact CG2-CD1 4.32Å; L386-L396 HydrophobicContact CD1-CD1 4.41Å; L392-L396 VanDerWaalsContact O-CB 3.28Å; L392-L396 WeakPolarHBondContact O-CB 3.18Å; L392-L396 WeakPolarHBondContact O-CD1 3.33Å; L392-L396 WeakPolarHBondContact O-CG 3.48Å; L392-L396 PolarHBondContact O-N 2.92Å; Y393-L396 PolarHBondContact O-N 2.83Å; L396-H399 CarbonylContact O-C 3.56Å; L396-H399 WeakPolarHBondContact O-CA 3.45Å; L396-H399 WeakPolarHBondContact O-CB 3.39Å; L396-H399 PolarHBondContact O-N 3.16Å; L396-I400 PolarHBondContact O-N 3.31Å; L396-W504 HydrophobicContact CD1-CH2 4.05Å; L396-W504 HydrophobicContact CD1-CZ2 3.52Å; L396-I535 HydrophobicContact CD2-CG2 4.44Å; L396-V538 HydrophobicContact CD2-CG1 3.95Å; L396-I539 HydrophobicContact CD2-CG1 4.28Å
397I95.9Very high96.5Very high20 Ų2010.8 Ų10.810%0.1036%0.058CC..Hα-helixtrans-55.8-39.1-174.4-168.860.2000114Y393 H399 I400 N401Y393-I397 HydrophobicContact CD1-CB 4.45Å; Y393-I397 HydrophobicContact CE1-CB 4.11Å; Y393-I397 HydrophobicContact CE1-CD1 4.34Å; Y393-I397 HydrophobicContact CE1-CG1 4.15Å; Y393-I397 HydrophobicContact CE1-CG2 4.48Å; Y393-I397 HydrophobicContact CE2-CD1 4.37Å; Y393-I397 WeakPolarHBondContact O-CB 3.47Å; Y393-I397 PolarHBondContact O-N 2.68Å; I397-H399 PolarHBondContact O-N 3.13Å; I397-I400 HydrophobicContact CD1-CD1 3.88Å; I397-I400 HydrophobicContact CD1-CG1 3.96Å; I397-I400 WeakPolarHBondContact O-CG1 3.34Å; I397-I400 PolarHBondContact O-N 3.23Å; I397-N401 PolarHBondContact O-N 3.41Å
398P96.2Very high96.4Very high24 Ų2411 Ų1116%0.1566%0.06CC..Hα-helixtrans-66.8-23.6176.1-17.233.7000112.9V395 Y616 N665V395-P398 WeakPolarHBondContact O-CD 3.14Å; P398-Y616 HydrophobicContact CB-CD1 3.6Å; P398-Y616 HydrophobicContact CB-CE1 3.8Å; P398-Y616 HydrophobicContact CG-CD1 3.71Å; P398-Y616 HydrophobicContact CG-CE1 4.03Å; P398-Y616 HydrophobicContact CG-CG 4.49Å; P398-N665 WeakPolarHBondContact O-CB 3.33Å
399H97.9Very high96.3Very high0 Ų09.5 Ų9.50%05%0.051CC..Hα-helixtrans-94.5-4.5-174.1-61.1-64.6000113.9V395 L396 I397 I539 V542 Y616 N665 S666V395-H399 PolarHBondContact O-CD2 3.46Å; L396-H399 CarbonylContact O-C 3.56Å; L396-H399 WeakPolarHBondContact O-CA 3.45Å; L396-H399 WeakPolarHBondContact O-CB 3.39Å; L396-H399 PolarHBondContact O-N 3.16Å; I397-H399 PolarHBondContact O-N 3.13Å; H399-I539 HydrophobicContact CB-CG1 4.46Å; H399-V542 HydrophobicContact CB-CG2 3.92Å; H399-V542 VanDerWaalsContact O-CG2 3.26Å; H399-V542 WeakPolarHBondContact O-CG2 3.38Å; H399-Y616 AromaticContact CE1-CE1 3.96Å; H399-Y616 AromaticContact NE2-CE1 3.73Å; H399-Y616 AromaticContact NE2-CZ 3.85Å; H399-Y616 PolarHBondContact NE2-OH 3.3Å; H399-Y616 VanDerWaalsContact NE2-OH 3.17Å; H399-N665 WeakPolarHBondContact CA-O 3.49Å; H399-N665 PolarHBondContact CE1-OD1 2.96Å; H399-N665 PolarHBondContact ND1-O 3.19Å; H399-S666 VanDerWaalsContact C-CB 3.43Å; H399-S666 WeakPolarHBondContact O-CB 3.34Å
400I95.6Very high96Very high5 Ų59.4 Ų9.43%0.0265%0.051CC..Hα-helixtrans-116.4-0.2175.465.2174.6000112.6T379 T382 L383 L396 I397 C402 T403T379-I400 HydrophobicContact CG2-CB 3.94Å; T379-I400 HydrophobicContact CG2-CD1 4.28Å; T379-I400 HydrophobicContact CG2-CG1 4.45Å; T379-I400 WeakPolarHBondContact OG1-CB 3.32Å; T382-I400 HydrophobicContact CG2-CD1 3.75Å; L383-I400 HydrophobicContact CD2-CD1 4.47Å; L383-I400 HydrophobicContact CG-CD1 4.34Å; L396-I400 PolarHBondContact O-N 3.31Å; I397-I400 HydrophobicContact CD1-CD1 3.88Å; I397-I400 HydrophobicContact CD1-CG1 3.96Å; I397-I400 WeakPolarHBondContact O-CG1 3.34Å; I397-I400 PolarHBondContact O-N 3.23Å; I400-C402 PolarHBondContact O-N 2.98Å; I400-T403 PolarHBondContact O-N 3.39Å; I400-T403 PolarHBondContact O-OG1 3.42Å
401N91.6Very high95.7Very high59 Ų5910.9 Ų10.932%0.3166%0.056SC..THydrogen-bonded Turntrans-59.4137.6-178.2-172.317.4000110.6I397 T403 S666I397-N401 PolarHBondContact O-N 3.41Å; N401-T403 PolarHBondContact O-N 3.48Å; N401-S666 WeakPolarHBondContact O-CB 3.37Å; N401-S666 PolarHBondContact O-OG 3.31Å
402C94.1Very high95.3Very high8 Ų815 Ų155%0.0547%0.074CC..THydrogen-bonded Turntrans61.5-5.2177.3-65.70000117R170 F171 I400 L404 H405 I406 T668R170-C402 PolarHBondContact O-SG 2.95Å; F171-C402 HydrophobicContact CD1-CB 3.68Å; F171-C402 HydrophobicContact CE1-CB 3.74Å; I400-C402 PolarHBondContact O-N 2.98Å; C402-L404 VanDerWaalsContact C-N 3.34Å; C402-L404 PolarHBondContact O-N 2.92Å; C402-H405 WeakPolarHBondContact O-CB 3.28Å; C402-H405 PolarHBondContact O-N 2.7Å; C402-H405 VanDerWaalsContact O-N 3.11Å; C402-I406 PolarHBondContact O-N 3.03Å; C402-T668 HydrophobicContact CB-CG2 3.97Å
403T97Very high94.8Very high0 Ų017.1 Ų17.10%09%0.085CC..Hα-helixtrans-55.1-44.7-179.2-58.10000112.8A375 E376 I400 N401 H405 I406 N407 V667A375-T403 HydrophobicContact CB-CG2 3.54Å; E376-T403 HydrophobicContact CB-CG2 4.43Å; I400-T403 PolarHBondContact O-N 3.39Å; I400-T403 PolarHBondContact O-OG1 3.42Å; N401-T403 PolarHBondContact O-N 3.48Å; T403-H405 PolarHBondContact O-N 3.31Å; T403-I406 WeakPolarHBondContact O-CG2 3.33Å; T403-N407 VanDerWaalsContact O-CB 3.31Å; T403-N407 WeakPolarHBondContact O-CB 3.24Å; T403-N407 PolarHBondContact O-N 3.48Å; T403-N407 PolarHBondContact O-OD1 3.48Å; T403-V667 WeakPolarHBondContact CA-O 3.5Å
404L97.4Very high94.4Very high1 Ų116.1 Ų16.11%0.0058%0.082CC..Hα-helixtrans-65-41.2179.4-61.2-174.9000111.7Y144 L165 V169 E376 T379 I380 L383 C402 I408Y144-L404 HydrophobicContact CD1-CD1 4.38Å; Y144-L404 HydrophobicContact CE1-CD1 4.31Å; L165-L404 HydrophobicContact CD1-CB 4.15Å; L165-L404 HydrophobicContact CD2-CB 3.91Å; L165-L404 HydrophobicContact CD2-CD1 4.13Å; V169-L404 HydrophobicContact CG2-CD1 4.26Å; E376-L404 HydrophobicContact CB-CD2 4.4Å; E376-L404 HydrophobicContact CG-CD2 3.77Å; T379-L404 HydrophobicContact CG2-CD1 4.15Å; T379-L404 HydrophobicContact CG2-CD2 3.89Å; T379-L404 HydrophobicContact CG2-CG 3.73Å; I380-L404 HydrophobicContact CD1-CD2 4.45Å; I380-L404 HydrophobicContact CG1-CD2 3.99Å; L383-L404 HydrophobicContact CD1-CD1 4.21Å; C402-L404 VanDerWaalsContact C-N 3.34Å; C402-L404 PolarHBondContact O-N 2.92Å; L404-I408 VanDerWaalsContact O-CG1 3.29Å; L404-I408 WeakPolarHBondContact O-CG1 3.47Å; L404-I408 PolarHBondContact O-N 3.2Å; L404-I408 VanDerWaalsContact O-N 3.17Å
405H96.4Very high94.2Very high14 Ų1417 Ų177%0.0659%0.086CC..Hα-helixtrans-61-54178.6-174.5115.8000110.6L165 F171 C402 T403 N407 I408 S409L165-H405 HydrophobicContact CD1-CB 3.91Å; F171-H405 HydrophobicContact CD1-CB 3.91Å; F171-H405 AromaticContact CD1-CD2 3.58Å; F171-H405 AromaticContact CD1-CG 3.65Å; F171-H405 AromaticContact CD2-CD2 3.5Å; F171-H405 VanDerWaalsContact CD2-CD2 3.5Å; F171-H405 WeakPolarHBondContact CD2-CD2 3.2Å; F171-H405 AromaticContact CD2-CE1 3.99Å; F171-H405 AromaticContact CD2-NE2 3.37Å; F171-H405 WeakPolarHBondContact CD2-NE2 3Å; F171-H405 HydrophobicContact CE1-CB 4.16Å; F171-H405 AromaticContact CE1-CD2 3.71Å; F171-H405 AromaticContact CE2-CD2 3.63Å; F171-H405 AromaticContact CE2-NE2 3.81Å; F171-H405 AromaticContact CG-CD2 3.49Å; F171-H405 VanDerWaalsContact CG-CD2 3.49Å; F171-H405 WeakPolarHBondContact CG-CD2 3.31Å; F171-H405 AromaticContact CG-CE1 3.84Å; F171-H405 AromaticContact CG-CG 3.76Å; F171-H405 AromaticContact CG-ND1 3.97Å; F171-H405 AromaticContact CG-NE2 3.59Å; F171-H405 AromaticContact CZ-CD2 3.74Å; F171-H405 PolarHBondContact N-ND1 3.24Å; C402-H405 WeakPolarHBondContact O-CB 3.28Å; C402-H405 PolarHBondContact O-N 2.7Å; C402-H405 VanDerWaalsContact O-N 3.11Å; T403-H405 PolarHBondContact O-N 3.31Å; H405-N407 VanDerWaalsContact C-N 3.33Å; H405-N407 PolarHBondContact O-N 3.4Å; H405-I408 PolarHBondContact O-N 3.46Å; H405-S409 PolarHBondContact O-N 3.38Å; H405-S409 VanDerWaalsContact O-N 3.08Å; H405-S409 PolarHBondContact O-OG 2.91Å
406I95.3Very high94Very high0 Ų019.2 Ų19.20%010%0.102CC..Hα-helixtrans-64.8-39.8-176.4-172.963.3000111.3F171 Y179 C402 T403 I408 S409 V410 V667 I669F171-I406 HydrophobicContact CE1-CB 4.12Å; F171-I406 HydrophobicContact CZ-CB 3.97Å; F171-I406 HydrophobicContact CZ-CD1 3.95Å; F171-I406 HydrophobicContact CZ-CG1 4.45Å; Y179-I406 HydrophobicContact CE2-CD1 4.24Å; C402-I406 PolarHBondContact O-N 3.03Å; T403-I406 WeakPolarHBondContact O-CG2 3.33Å; I406-I408 VanDerWaalsContact C-N 3.34Å; I406-I408 PolarHBondContact O-N 3.25Å; I406-S409 CarbonylContact O-C 3.41Å; I406-S409 PolarHBondContact O-N 3Å; I406-S409 VanDerWaalsContact O-N 3.1Å; I406-V410 HydrophobicContact CD1-CG2 3.48Å; I406-V410 VanDerWaalsContact CD1-CG2 3.48Å; I406-V410 HydrophobicContact CG1-CG2 3.61Å; I406-V410 WeakPolarHBondContact O-CB 3.1Å; I406-V410 WeakPolarHBondContact O-CG2 3.17Å; I406-V410 PolarHBondContact O-N 3.23Å; I406-V667 HydrophobicContact CG2-CG1 4.29Å; I406-V667 VanDerWaalsContact CG2-O 3.32Å; I406-V667 WeakPolarHBondContact CG2-O 3.19Å; I406-I669 HydrophobicContact CD1-CD1 4.25Å; I406-I669 WeakPolarHBondContact CD1-OXT 3.09Å; I406-I669 VanDerWaalsContact CG1-C 3.5Å; I406-I669 WeakPolarHBondContact CG1-OXT 3.46Å
407N96.9Very high93.6Very high3 Ų325.5 Ų25.52%0.01614%0.143CC..Hα-helixtrans-64.1-37.2180-81.817.9000113H372 E376 T403 H405 R411H372-N407 WeakPolarHBondContact CB-OD1 3.48Å; H372-N407 PolarHBondContact ND1-OD1 3.34Å; H372-N407 PolarHBondContact O-ND2 3.38Å; E376-N407 WeakPolarHBondContact CB-ND2 3.5Å; E376-N407 WeakPolarHBondContact OE2-CB 3.37Å; E376-N407 PolarHBondContact OE2-ND2 3.08Å; T403-N407 VanDerWaalsContact O-CB 3.31Å; T403-N407 WeakPolarHBondContact O-CB 3.24Å; T403-N407 PolarHBondContact O-N 3.48Å; T403-N407 PolarHBondContact O-OD1 3.48Å; H405-N407 VanDerWaalsContact C-N 3.33Å; H405-N407 PolarHBondContact O-N 3.4Å; N407-R411 WeakPolarHBondContact O-CB 3.38Å; N407-R411 VanDerWaalsContact O-CG 3.29Å; N407-R411 WeakPolarHBondContact O-CG 3.48Å; N407-R411 VanDerWaalsContact O-CZ 3.26Å; N407-R411 PolarHBondContact O-N 2.85Å; N407-R411 VanDerWaalsContact O-N 3.14Å; N407-R411 PolarHBondContact O-NE 3.26Å
408I95.5Very high93.1Very high5 Ų526.7 Ų26.73%0.02616%0.161CC..Hα-helixtrans-63.3-47.2172.1-67168.7000110F159 V162 L165 L404 H405 I406 K412F159-I408 HydrophobicContact CB-CD1 3.74Å; V162-I408 HydrophobicContact CG1-CB 4.04Å; V162-I408 HydrophobicContact CG1-CG2 3.87Å; L165-I408 HydrophobicContact CD1-CD1 4Å; L165-I408 HydrophobicContact CD2-CD1 4.12Å; L165-I408 HydrophobicContact CG-CD1 4.08Å; L404-I408 VanDerWaalsContact O-CG1 3.29Å; L404-I408 WeakPolarHBondContact O-CG1 3.47Å; L404-I408 PolarHBondContact O-N 3.2Å; L404-I408 VanDerWaalsContact O-N 3.17Å; H405-I408 PolarHBondContact O-N 3.46Å; I406-I408 VanDerWaalsContact C-N 3.34Å; I406-I408 PolarHBondContact O-N 3.25Å; I408-K412 WeakPolarHBondContact O-CG 3.26Å; I408-K412 PolarHBondContact O-N 3.1Å
409S93Very high92.7Very high18 Ų1825.8 Ų25.813%0.12616%0.156CC..Hα-helixtrans-64.7-45.8-178.9-68.80000113.1H405 I406 K412 L413H405-S409 PolarHBondContact O-N 3.38Å; H405-S409 VanDerWaalsContact O-N 3.08Å; H405-S409 PolarHBondContact O-OG 2.91Å; I406-S409 CarbonylContact O-C 3.41Å; I406-S409 PolarHBondContact O-N 3Å; I406-S409 VanDerWaalsContact O-N 3.1Å; S409-K412 WeakPolarHBondContact O-CB 3.43Å; S409-K412 PolarHBondContact O-N 3.47Å; S409-L413 WeakPolarHBondContact O-CB 3.33Å; S409-L413 PolarHBondContact O-N 3.47Å
410V90.2Very high92.2Very high1 Ų126 Ų261%0.00616%0.158CC..Hα-helixtrans-68.6-39.9-178.5169.30000111.3L368 I406 K412 L413 L414L368-V410 HydrophobicContact CD1-CG1 4.46Å; I406-V410 HydrophobicContact CD1-CG2 3.48Å; I406-V410 VanDerWaalsContact CD1-CG2 3.48Å; I406-V410 HydrophobicContact CG1-CG2 3.61Å; I406-V410 WeakPolarHBondContact O-CB 3.1Å; I406-V410 WeakPolarHBondContact O-CG2 3.17Å; I406-V410 PolarHBondContact O-N 3.23Å; V410-K412 VanDerWaalsContact C-N 3.3Å; V410-K412 PolarHBondContact O-N 3.34Å; V410-L413 PolarHBondContact O-N 3.38Å; V410-L414 HydrophobicContact CG1-CD1 3.42Å; V410-L414 VanDerWaalsContact CG1-CD1 3.42Å; V410-L414 HydrophobicContact CG1-CG 3.87Å; V410-L414 WeakPolarHBondContact O-CB 3.4Å; V410-L414 WeakPolarHBondContact O-CG 3.4Å; V410-L414 PolarHBondContact O-N 3.2Å
411R91.3Very high92.1Very high31 Ų3126 Ų2612%0.11716%0.157CC..Hα-helixtrans-58.9-43.9172.1-77.9-175-73-97.84.9111.5Y373 E376 N407 L415Y373-R411 HydrophobicContact CE1-CG 4.48Å; E376-R411 IonicContact OE1-CZ 3.59Å; E376-R411 IonicContact OE1-NH1 3.69Å; E376-R411 IonicContact OE1-NH2 2.64Å; E376-R411 PolarHBondContact OE1-NH2 3.13Å; E376-R411 VanDerWaalsContact OE1-NH2 3.12Å; E376-R411 IonicContact OE2-CZ 3.83Å; E376-R411 IonicContact OE2-NH1 2.89Å; E376-R411 PolarHBondContact OE2-NH1 2.9Å; E376-R411 IonicContact OE2-NH2 3.86Å; E376-R411 PolarHBondContact OE2-NH2 3.17Å; E376-R411 VanDerWaalsContact OE2-NH2 3.12Å; N407-R411 WeakPolarHBondContact O-CB 3.38Å; N407-R411 VanDerWaalsContact O-CG 3.29Å; N407-R411 WeakPolarHBondContact O-CG 3.48Å; N407-R411 VanDerWaalsContact O-CZ 3.26Å; N407-R411 PolarHBondContact O-N 2.85Å; N407-R411 VanDerWaalsContact O-N 3.14Å; N407-R411 PolarHBondContact O-NE 3.26Å; R411-L415 HydrophobicContact CG-CD1 4.27Å; R411-L415 WeakPolarHBondContact O-CB 3.42Å; R411-L415 PolarHBondContact O-N 2.91Å
412K89.4Confident92.2Very high87 Ų8723.6 Ų23.638%0.37815%0.145SC..Hα-helixtrans-62.3-48.6175.7-72.7177.5-178.2177.90111.1K160 D161 I408 S409 V410 S416K160-K412 WeakPolarHBondContact O-CE 3.47Å; K160-K412 PolarHBondContact O-NZ 3.46Å; D161-K412 IonicContact OD2-NZ 3.77Å; D161-K412 PolarHBondContact OD2-NZ 2.9Å; I408-K412 WeakPolarHBondContact O-CG 3.26Å; I408-K412 PolarHBondContact O-N 3.1Å; S409-K412 WeakPolarHBondContact O-CB 3.43Å; S409-K412 PolarHBondContact O-N 3.47Å; V410-K412 VanDerWaalsContact C-N 3.3Å; V410-K412 PolarHBondContact O-N 3.34Å; K412-S416 WeakPolarHBondContact CA-OG 3.35Å; K412-S416 WeakPolarHBondContact O-CB 3.48Å; K412-S416 PolarHBondContact O-OG 3.36Å
413L86.7Confident92.1Very high46 Ų4626 Ų2624%0.24116%0.156CC..Hα-helixtrans-64.9-44.8-177.8-179.365000113.6S409 V410 G419 I602S409-L413 WeakPolarHBondContact O-CB 3.33Å; S409-L413 PolarHBondContact O-N 3.47Å; V410-L413 PolarHBondContact O-N 3.38Å; L413-G419 VanDerWaalsContact O-CA 3.23Å; L413-G419 WeakPolarHBondContact O-CA 3.11Å; L413-I602 HydrophobicContact CD2-CD1 4.3Å; L413-I602 HydrophobicContact CD2-CG2 4.29Å
414L90.3Very high92.1Very high4 Ų426 Ų262%0.02116%0.156CC..Hα-helixtrans-93.4-39.2-169.1-61.7-173.1000113.8V410 G419 L421 S422 T599 L603V410-L414 HydrophobicContact CG1-CD1 3.42Å; V410-L414 VanDerWaalsContact CG1-CD1 3.42Å; V410-L414 HydrophobicContact CG1-CG 3.87Å; V410-L414 WeakPolarHBondContact O-CB 3.4Å; V410-L414 WeakPolarHBondContact O-CG 3.4Å; V410-L414 PolarHBondContact O-N 3.2Å; L414-G419 CarbonylContact O-C 3.58Å; L414-G419 WeakPolarHBondContact O-CA 3.42Å; L414-L421 HydrophobicContact CB-CB 4.23Å; L414-L421 HydrophobicContact CB-CD1 4.02Å; L414-L421 HydrophobicContact CB-CG 4.08Å; L414-L421 HydrophobicContact CD1-CD1 3.82Å; L414-L421 HydrophobicContact CD1-CG 4.3Å; L414-L421 HydrophobicContact CG-CD1 4.49Å; L414-L421 WeakPolarHBondContact O-CB 3.41Å; L414-L421 PolarHBondContact O-N 2.73Å; L414-S422 PolarHBondContact O-N 3.26Å; L414-T599 HydrophobicContact CD2-CG2 3.35Å; L414-L603 HydrophobicContact CD1-CD1 4.49Å; L414-L603 HydrophobicContact CD2-CD1 4.46Å
415L92.3Very high92Very high27 Ų2726 Ų2614%0.14116%0.156CC..Hα-helixtrans-104.4-15.9-168-58.7174.8000113.9L368 R411 L421 V428 L431 M432L368-L415 HydrophobicContact CD2-CD1 4.42Å; R411-L415 HydrophobicContact CG-CD1 4.27Å; R411-L415 WeakPolarHBondContact O-CB 3.42Å; R411-L415 PolarHBondContact O-N 2.91Å; L415-L421 HydrophobicContact CD2-CB 4.03Å; L415-L421 HydrophobicContact CD2-CD1 4.31Å; L415-V428 WeakPolarHBondContact O-CG2 3.38Å; L415-L431 HydrophobicContact CD2-CD1 4.25Å; L415-M432 HydrophobicContact CD1-CE 3.92Å; L415-M432 HydrophobicContact CD2-CE 4.32Å
416S91.9Very high92.1Very high50 Ų5025.6 Ų25.635%0.3515%0.154SC..SBendtrans-69.9160.1175.1-54.70000111.1K412 G418 G419 S422K412-S416 WeakPolarHBondContact CA-OG 3.35Å; K412-S416 WeakPolarHBondContact O-CB 3.48Å; K412-S416 PolarHBondContact O-OG 3.36Å; S416-G418 PolarHBondContact O-N 3.43Å; S416-G419 PolarHBondContact O-N 2.91Å; S416-S422 VanDerWaalsContact O-CB 3.32Å; S416-S422 WeakPolarHBondContact O-CB 3.29Å; S416-S422 PolarHBondContact O-OG 3.25Å
417P90.3Very high92.1Very high132 Ų13225.7 Ų25.786%0.85716%0.156SC*.THydrogen-bonded Turntrans-51.2127.8175.8-2735.6000111.7
418G85.7Confident92Very high46 Ų4628.2 Ų28.247%0.47417%0.171SC..THydrogen-bonded Turntrans81.19.4-173.800000115.1S416 S422 K595S416-G418 PolarHBondContact O-N 3.43Å; G418-S422 PolarHBondContact N-OG 2.81Å; G418-K595 WeakPolarHBondContact O-CE 3.48Å; G418-K595 PolarHBondContact O-NZ 3.49Å
419G88.2Confident92Very high5 Ų535 Ų355%0.05220%0.202CC..  trans-75.9165.316500000112.9L413 L414 S416 S422 E423 K595L413-G419 VanDerWaalsContact O-CA 3.23Å; L413-G419 WeakPolarHBondContact O-CA 3.11Å; L414-G419 CarbonylContact O-C 3.58Å; L414-G419 WeakPolarHBondContact O-CA 3.42Å; S416-G419 PolarHBondContact O-N 2.91Å; G419-S422 PolarHBondContact N-OG 3.43Å; G419-S422 PolarHBondContact O-OG 2.96Å; G419-E423 WeakPolarHBondContact O-CB 3.23Å; G419-E423 WeakPolarHBondContact O-CG 3.33Å; G419-E423 PolarHBondContact O-N 3.35Å; G419-K595 PolarHBondContact O-NZ 3.41Å
420A87.4Confident92.2Very high5 Ų534.1 Ų34.14%0.04120%0.196CC..THydrogen-bonded Turntrans-71.3-39.6-179.500000112.7E423 S424 T599A420-E423 CarbonylContact O-C 3.44Å; A420-E423 PolarHBondContact O-N 3.05Å; A420-S424 PolarHBondContact O-N 3.41Å; A420-S424 VanDerWaalsContact O-N 3.13Å; A420-T599 HydrophobicContact CB-CG2 3.82Å; A420-T599 WeakPolarHBondContact CB-OG1 3.29Å
421L92.4Very high92.6Very high4 Ų434.2 Ų34.22%0.02120%0.197CC..THydrogen-bonded Turntrans-75.7-35.8177.2-67.2-172.3000111.7Q363 L414 L415 E423 S424 L431 L565Q363-L421 HydrophobicContact CB-CD2 3.97Å; Q363-L421 HydrophobicContact CG-CD2 4.27Å; L414-L421 HydrophobicContact CB-CB 4.23Å; L414-L421 HydrophobicContact CB-CD1 4.02Å; L414-L421 HydrophobicContact CB-CG 4.08Å; L414-L421 HydrophobicContact CD1-CD1 3.82Å; L414-L421 HydrophobicContact CD1-CG 4.3Å; L414-L421 HydrophobicContact CG-CD1 4.49Å; L414-L421 WeakPolarHBondContact O-CB 3.41Å; L414-L421 PolarHBondContact O-N 2.73Å; L415-L421 HydrophobicContact CD2-CB 4.03Å; L415-L421 HydrophobicContact CD2-CD1 4.31Å; L421-E423 PolarHBondContact O-N 3.17Å; L421-S424 VanDerWaalsContact O-CB 3.31Å; L421-S424 WeakPolarHBondContact O-CB 3.4Å; L421-S424 PolarHBondContact O-N 3.35Å; L421-S424 VanDerWaalsContact O-N 3.15Å; L421-S424 PolarHBondContact O-OG 3.35Å; L421-L431 HydrophobicContact CB-CD1 3.73Å; L421-L431 WeakPolarHBondContact O-CD1 3.41Å; L421-L565 HydrophobicContact CD2-CD1 4.06Å; L421-L565 HydrophobicContact CD2-CD2 4.4Å
422S94.4Very high92.9Very high9 Ų933.3 Ų33.36%0.06319%0.194CC..THydrogen-bonded Turntrans-60.5-33.5172.881.50000112.3R296 L414 S416 G418 G419 G427R296-S422 WeakPolarHBondContact CD-O 3.49Å; L414-S422 PolarHBondContact O-N 3.26Å; S416-S422 VanDerWaalsContact O-CB 3.32Å; S416-S422 WeakPolarHBondContact O-CB 3.29Å; S416-S422 PolarHBondContact O-OG 3.25Å; G418-S422 PolarHBondContact N-OG 2.81Å; G419-S422 PolarHBondContact N-OG 3.43Å; G419-S422 PolarHBondContact O-OG 2.96Å; S422-G427 WeakPolarHBondContact O-CA 3.32Å
423E93.1Very high93.3Very high57 Ų5731.6 Ų31.627%0.26619%0.187SC..THydrogen-bonded Turntrans-94.76.4178.3-65.2-54.7135.300114.2R296 G419 A420 L421R296-E423 IonicContact CZ-OE2 3.92Å; R296-E423 IonicContact NH1-OE2 3.66Å; R296-E423 PolarHBondContact NH1-OE2 3.27Å; R296-E423 PolarHBondContact NH2-O 3.38Å; R296-E423 IonicContact NH2-OE2 3.26Å; R296-E423 PolarHBondContact NH2-OE2 3.09Å; G419-E423 WeakPolarHBondContact O-CB 3.23Å; G419-E423 WeakPolarHBondContact O-CG 3.33Å; G419-E423 PolarHBondContact O-N 3.35Å; A420-E423 CarbonylContact O-C 3.44Å; A420-E423 PolarHBondContact O-N 3.05Å; L421-E423 PolarHBondContact O-N 3.17Å
424S95.7Very high93.8Very high1 Ų129.4 Ų29.41%0.00718%0.176CC..SBendtrans-64.1173.217369.40000112.1R296 A420 L421 L426 G427 L565R296-S424 PolarHBondContact NE-O 3.21Å; A420-S424 PolarHBondContact O-N 3.41Å; A420-S424 VanDerWaalsContact O-N 3.13Å; L421-S424 VanDerWaalsContact O-CB 3.31Å; L421-S424 WeakPolarHBondContact O-CB 3.4Å; L421-S424 PolarHBondContact O-N 3.35Å; L421-S424 VanDerWaalsContact O-N 3.15Å; L421-S424 PolarHBondContact O-OG 3.35Å; S424-L426 PolarHBondContact O-N 3.41Å; S424-L426 PolarHBondContact OG-N 3.46Å; S424-G427 PolarHBondContact O-N 3.47Å; S424-G427 PolarHBondContact OG-N 2.9Å; S424-G427 VanDerWaalsContact OG-N 3.12Å; S424-L565 CarbonylContact C-O 3.51Å; S424-L565 WeakPolarHBondContact CA-O 3.4Å; S424-L565 WeakPolarHBondContact CB-O 3.47Å
425S96.6Very high94.2Very high2 Ų229.2 Ų29.21%0.01418%0.175CC..SBendtrans-59.3-32.5173.6-69.60000113.2R296 Y304 L565 L567R296-S425 PolarHBondContact N-O 3.07Å; Y304-S425 WeakPolarHBondContact O-CB 3.29Å; Y304-S425 PolarHBondContact O-OG 2.63Å; S425-L565 PolarHBondContact N-O 3.4Å; S425-L567 PolarHBondContact OG-N 2.83Å
426L96.9Very high94.5Very high4 Ų431.5 Ų31.52%0.02118%0.182CC..SBendtrans-82.5-35.6176.2-68.9-167.5000112.8M290 I293 T295 V305 I360 S424 L431 L434M290-L426 HydrophobicContact CE-CD1 3.88Å; I293-L426 HydrophobicContact CB-CD2 4.31Å; I293-L426 HydrophobicContact CG2-CD1 3.85Å; I293-L426 HydrophobicContact CG2-CD2 3.63Å; I293-L426 HydrophobicContact CG2-CG 4.31Å; T295-L426 HydrophobicContact CG2-CD2 4.19Å; V305-L426 HydrophobicContact CB-CD2 4.11Å; V305-L426 HydrophobicContact CG1-CD2 4.46Å; V305-L426 HydrophobicContact CG2-CD2 3.57Å; V305-L426 HydrophobicContact CG2-CG 4.04Å; I360-L426 HydrophobicContact CG2-CD1 3.51Å; I360-L426 HydrophobicContact CG2-CG 3.97Å; S424-L426 PolarHBondContact O-N 3.41Å; S424-L426 PolarHBondContact OG-N 3.46Å; L426-L431 HydrophobicContact CB-CD2 4.19Å; L426-L431 HydrophobicContact CB-CG 4.13Å; L426-L431 HydrophobicContact CD1-CD2 4.09Å; L426-L434 HydrophobicContact CD1-CD2 4.06Å
427G95.9Very high94.8Very high3 Ų332.7 Ų32.73%0.03118%0.179CC..Hα-helixtrans60.5-177.5-167.600000112.6S422 S424 E429 G430 L431S422-G427 WeakPolarHBondContact O-CA 3.32Å; S424-G427 PolarHBondContact O-N 3.47Å; S424-G427 PolarHBondContact OG-N 2.9Å; S424-G427 VanDerWaalsContact OG-N 3.12Å; G427-E429 VanDerWaalsContact C-N 3.34Å; G427-E429 PolarHBondContact O-N 2.72Å; G427-G430 PolarHBondContact O-N 3.32Å; G427-L431 WeakPolarHBondContact O-CD1 3.29Å; G427-L431 WeakPolarHBondContact O-CG 3.37Å; G427-L431 PolarHBondContact O-N 3.21Å; G427-L431 VanDerWaalsContact O-N 3.11Å
428V95.5Very high95.2Very high56 Ų5626.9 Ų26.934%0.33914%0.14SC..Hα-helixtrans-59.6-43.2-172-178.80000112.4L415 L431 M432L415-V428 WeakPolarHBondContact O-CG2 3.38Å; V428-L431 PolarHBondContact O-N 3.39Å; V428-M432 HydrophobicContact CG1-CE 4.08Å; V428-M432 HydrophobicContact CG1-CG 4.19Å; V428-M432 VanDerWaalsContact O-CG 3.27Å; V428-M432 WeakPolarHBondContact O-CG 3.47Å; V428-M432 PolarHBondContact O-N 2.82Å
429E95.6Very high95.8Very high146 Ų14625.1 Ų25.168%0.68212%0.12SC*.Hα-helixtrans-60.9-50.5-177.7-173.9-179.2171.800112.3P294 G427 L431 M432 E433P294-E429 HydrophobicContact CG-CG 4.19Å; G427-E429 VanDerWaalsContact C-N 3.34Å; G427-E429 PolarHBondContact O-N 2.72Å; E429-L431 VanDerWaalsContact C-N 3.32Å; E429-L431 PolarHBondContact O-N 3.37Å; E429-M432 PolarHBondContact O-N 3.36Å; E429-E433 PolarHBondContact O-N 2.68Å
430G97.5Very high96.2Very high0 Ų028.7 Ų28.70%014%0.144CC..Hα-helixtrans-64.1-36.7178.100000112.9I293 P294 G427 E433 L434I293-G430 WeakPolarHBondContact CG2-O 3.34Å; P294-G430 WeakPolarHBondContact O-CA 3.36Å; G427-G430 PolarHBondContact O-N 3.32Å; G430-E433 PolarHBondContact O-N 3.18Å; G430-L434 WeakPolarHBondContact O-CB 3.42Å; G430-L434 PolarHBondContact O-N 2.81Å
431L97.4Very high96.7Very high3 Ų334.1 Ų34.12%0.01617%0.169CC..Hα-helixtrans-66-42.1176.2-63.5168.9000112.1I360 T364 L415 L421 L426 G427 V428 E429 L434 M435I360-L431 HydrophobicContact CG2-CD2 4.18Å; T364-L431 HydrophobicContact CG2-CB 4.2Å; T364-L431 HydrophobicContact CG2-CD2 3.93Å; T364-L431 WeakPolarHBondContact OG1-CD2 2.85Å; L415-L431 HydrophobicContact CD2-CD1 4.25Å; L421-L431 HydrophobicContact CB-CD1 3.73Å; L421-L431 WeakPolarHBondContact O-CD1 3.41Å; L426-L431 HydrophobicContact CB-CD2 4.19Å; L426-L431 HydrophobicContact CB-CG 4.13Å; L426-L431 HydrophobicContact CD1-CD2 4.09Å; G427-L431 WeakPolarHBondContact O-CD1 3.29Å; G427-L431 WeakPolarHBondContact O-CG 3.37Å; G427-L431 PolarHBondContact O-N 3.21Å; G427-L431 VanDerWaalsContact O-N 3.11Å; V428-L431 PolarHBondContact O-N 3.39Å; E429-L431 VanDerWaalsContact C-N 3.32Å; E429-L431 PolarHBondContact O-N 3.37Å; L431-L434 PolarHBondContact O-N 3Å; L431-M435 WeakPolarHBondContact O-CG 3.12Å; L431-M435 PolarHBondContact O-N 3.34Å
432M97.1Very high96.9Very high13 Ų1334.2 Ų34.26%0.06417%0.169CC..Hα-helixtrans-63.3-43.2176.4-66.7-58.2128.300111.2N150 L153 L415 V428 E429 M435 R436N150-M432 PolarHBondContact ND2-SD 3.3Å; N150-M432 VanDerWaalsContact ND2-SD 3.44Å; L153-M432 HydrophobicContact CD1-SD 3.54Å; L153-M432 VanDerWaalsContact CD1-SD 3.54Å; L415-M432 HydrophobicContact CD1-CE 3.92Å; L415-M432 HydrophobicContact CD2-CE 4.32Å; V428-M432 HydrophobicContact CG1-CE 4.08Å; V428-M432 HydrophobicContact CG1-CG 4.19Å; V428-M432 VanDerWaalsContact O-CG 3.27Å; V428-M432 WeakPolarHBondContact O-CG 3.47Å; V428-M432 PolarHBondContact O-N 2.82Å; E429-M432 PolarHBondContact O-N 3.36Å; M432-M435 HydrophobicContact CE-CE 3.38Å; M432-M435 PolarHBondContact O-N 3.07Å; M432-M435 HydrophobicContact SD-CE 3.43Å; M432-M435 WeakPolarHBondContact SD-CE 3.43Å; M432-R436 VanDerWaalsContact O-CB 3.3Å; M432-R436 WeakPolarHBondContact O-CB 3.29Å; M432-R436 PolarHBondContact O-N 3.3Å
433E98.1Very high97.1Very high50 Ų5035.8 Ų35.823%0.23418%0.178CC..Hα-helixtrans-64.3-40.8176.7178.156.1-16400112.2I293 E429 G430 R436 R437I293-E433 HydrophobicContact CD1-CB 4.29Å; I293-E433 HydrophobicContact CD1-CG 3.72Å; E429-E433 PolarHBondContact O-N 2.68Å; G430-E433 PolarHBondContact O-N 3.18Å; E433-R436 WeakPolarHBondContact O-CB 3.3Å; E433-R436 PolarHBondContact O-N 3.2Å; E433-R436 IonicContact OE2-NH1 3.77Å; E433-R436 PolarHBondContact OE2-NH1 3.28Å; E433-R437 WeakPolarHBondContact O-CG 3.29Å; E433-R437 PolarHBondContact O-N 2.73Å; E433-R437 IonicContact OE1-CZ 2.79Å; E433-R437 IonicContact OE1-NE 2.69Å; E433-R437 PolarHBondContact OE1-NE 3.13Å; E433-R437 IonicContact OE1-NH2 2.77Å
434L98.5Very high97.4Very high0 Ų034.5 Ų34.50%017%0.171CC..Hα-helixtrans-60.3-47.9176.4179.957000111.7I289 M290 I293 I360 T364 L365 L426 G430 L431 R436 R437 D438I289-L434 HydrophobicContact CB-CD1 4.43Å; I289-L434 HydrophobicContact CD1-CD1 4.09Å; I289-L434 HydrophobicContact CG1-CD1 3.9Å; I289-L434 HydrophobicContact CG2-CD1 3.98Å; M290-L434 HydrophobicContact CE-CD2 4.02Å; M290-L434 HydrophobicContact SD-CD1 3.56Å; M290-L434 VanDerWaalsContact SD-CD1 3.56Å; M290-L434 HydrophobicContact SD-CD2 3.51Å; M290-L434 VanDerWaalsContact SD-CD2 3.51Å; M290-L434 HydrophobicContact SD-CG 4.19Å; I293-L434 HydrophobicContact CD1-CB 4.18Å; I293-L434 HydrophobicContact CD1-CD1 4.46Å; I360-L434 HydrophobicContact CG2-CD2 4.39Å; T364-L434 HydrophobicContact CG2-CB 4.33Å; T364-L434 HydrophobicContact CG2-CD2 3.94Å; T364-L434 HydrophobicContact CG2-CG 4.22Å; L365-L434 HydrophobicContact CD1-CD1 4.11Å; L365-L434 HydrophobicContact CD1-CG 4.22Å; L365-L434 HydrophobicContact CD2-CG 3.95Å; L365-L434 HydrophobicContact CG-CD2 4.44Å; L365-L434 HydrophobicContact CG-CG 4.18Å; L426-L434 HydrophobicContact CD1-CD2 4.06Å; G430-L434 WeakPolarHBondContact O-CB 3.42Å; G430-L434 PolarHBondContact O-N 2.81Å; L431-L434 PolarHBondContact O-N 3Å; L434-R436 VanDerWaalsContact C-N 3.29Å; L434-R436 PolarHBondContact O-N 3.42Å; L434-R437 PolarHBondContact O-N 2.83Å; L434-D438 WeakPolarHBondContact O-CB 3.3Å; L434-D438 PolarHBondContact O-N 3.44Å
435M98.4Very high97.5Very high1 Ų136 Ų361%0.00518%0.182CC..Hα-helixtrans-62.1-37.5175.6-70.3-173.3-71.400112.4L153 T364 L365 L368 L369 Y373 L431 M432 D438 L439L153-M435 HydrophobicContact CD1-CE 3.97Å; L153-M435 HydrophobicContact CD2-CB 3.46Å; L153-M435 VanDerWaalsContact CD2-CB 3.46Å; T364-M435 HydrophobicContact CG2-CG 3.48Å; T364-M435 VanDerWaalsContact CG2-CG 3.48Å; T364-M435 HydrophobicContact CG2-SD 4.28Å; L365-M435 HydrophobicContact CD2-CG 4.23Å; L368-M435 HydrophobicContact CD2-SD 4.19Å; L369-M435 HydrophobicContact CB-CG 4.15Å; L369-M435 HydrophobicContact CB-SD 4.17Å; L369-M435 HydrophobicContact CD1-CB 4.44Å; L369-M435 HydrophobicContact CD1-SD 4.43Å; L369-M435 HydrophobicContact CD2-CB 4.06Å; L369-M435 HydrophobicContact CD2-CG 4.29Å; Y373-M435 HydrophobicContact CE2-SD 4.32Å; L431-M435 WeakPolarHBondContact O-CG 3.12Å; L431-M435 PolarHBondContact O-N 3.34Å; M432-M435 HydrophobicContact CE-CE 3.38Å; M432-M435 PolarHBondContact O-N 3.07Å; M432-M435 HydrophobicContact SD-CE 3.43Å; M432-M435 WeakPolarHBondContact SD-CE 3.43Å; M435-D438 PolarHBondContact O-N 2.62Å; M435-L439 WeakPolarHBondContact O-CB 3.37Å; M435-L439 PolarHBondContact O-N 3.12Å
436R98.1Very high97.6Very high75 Ų7537.3 Ų37.328%0.28319%0.191SC..Hα-helixtrans-66.3-44-178.6-159.9-174.8-79.7126.1-7.5111.3D151 L153 M432 E433 L434 S440D151-R436 PolarHBondContact O-NE 3.26Å; D151-R436 PolarHBondContact O-NH2 3.44Å; L153-R436 HydrophobicContact CD2-CB 4.08Å; M432-R436 VanDerWaalsContact O-CB 3.3Å; M432-R436 WeakPolarHBondContact O-CB 3.29Å; M432-R436 PolarHBondContact O-N 3.3Å; E433-R436 WeakPolarHBondContact O-CB 3.3Å; E433-R436 PolarHBondContact O-N 3.2Å; E433-R436 IonicContact OE2-NH1 3.77Å; E433-R436 PolarHBondContact OE2-NH1 3.28Å; L434-R436 VanDerWaalsContact C-N 3.29Å; L434-R436 PolarHBondContact O-N 3.42Å; R436-S440 PolarHBondContact O-N 3.49Å
437R98.1Very high97.7Very high74 Ų7437.3 Ų37.328%0.27919%0.191SC..Hα-helixtrans-61.5-46.7173.3-70.4-177.8-169.8-176.9-0.3111.2I289 D291 G292 I293 E433 L434 S440I289-R437 HydrophobicContact CG1-CB 4.31Å; I289-R437 PolarHBondContact O-NH1 3.4Å; D291-R437 PolarHBondContact O-NH1 2.86Å; G292-R437 PolarHBondContact O-NH2 3.05Å; I293-R437 VanDerWaalsContact CD1-NH1 3.34Å; E433-R437 WeakPolarHBondContact O-CG 3.29Å; E433-R437 PolarHBondContact O-N 2.73Å; E433-R437 IonicContact OE1-CZ 2.79Å; E433-R437 IonicContact OE1-NE 2.69Å; E433-R437 PolarHBondContact OE1-NE 3.13Å; E433-R437 IonicContact OE1-NH2 2.77Å; L434-R437 PolarHBondContact O-N 2.83Å; R437-S440 PolarHBondContact O-N 3.15Å; R437-S440 PolarHBondContact O-OG 3.35Å
438D98.4Very high97.8Very high10 Ų1037.1 Ų37.15%0.05319%0.189CC..Hα-helixtrans-63.4-48.1-178.2-171.680.6000112.6I289 L365 L369 H370 L434 M435 S440 Q441 L442I289-D438 HydrophobicContact CD1-CB 3.65Å; L365-D438 HydrophobicContact CD1-CB 4.1Å; L365-D438 HydrophobicContact CD2-CB 3.46Å; L365-D438 VanDerWaalsContact CD2-CB 3.46Å; L365-D438 HydrophobicContact CG-CB 4.35Å; L369-D438 HydrophobicContact CD2-CB 4.24Å; H370-D438 IonicContact CD2-OD2 3.73Å; H370-D438 IonicContact CE1-OD2 3.83Å; H370-D438 PolarHBondContact CE1-OD2 3.19Å; H370-D438 IonicContact NE2-OD2 2.64Å; H370-D438 PolarHBondContact NE2-OD2 2.7Å; L434-D438 WeakPolarHBondContact O-CB 3.3Å; L434-D438 PolarHBondContact O-N 3.44Å; M435-D438 PolarHBondContact O-N 2.62Å; D438-S440 PolarHBondContact O-N 3.31Å; D438-Q441 CarbonylContact O-C 3.47Å; D438-Q441 VanDerWaalsContact O-CG 3.25Å; D438-Q441 WeakPolarHBondContact O-CG 3.47Å; D438-Q441 PolarHBondContact O-N 2.89Å; D438-L442 PolarHBondContact O-N 3.03Å
439L98.2Very high98Very high10 Ų1034.7 Ų34.75%0.05218%0.175CC..Hα-helixtrans-57.7-35.1177.1-171.371.9000112.2G152 P154 L369 M435 Q441 L442 F513 L514G152-L439 WeakPolarHBondContact O-CD2 3.32Å; P154-L439 HydrophobicContact CG-CD1 4.11Å; P154-L439 HydrophobicContact CG-CD2 4.08Å; L369-L439 HydrophobicContact CD2-CB 4.49Å; M435-L439 WeakPolarHBondContact O-CB 3.37Å; M435-L439 PolarHBondContact O-N 3.12Å; L439-Q441 PolarHBondContact O-N 3.06Å; L439-L442 HydrophobicContact CD1-CD2 4.21Å; L439-L442 PolarHBondContact O-N 3.39Å; L439-F513 HydrophobicContact CD1-CD1 4.38Å; L439-L514 HydrophobicContact CD2-CD1 3.93Å; L439-L514 HydrophobicContact CD2-CG 4.23Å
440S97.6Very high98.1Very high79 Ų7929.7 Ų29.755%0.55215%0.154SC*.Hα-helixtrans-65.6-24.5179.880.80000113.9R436 R437 D438 N516R436-S440 PolarHBondContact O-N 3.49Å; R437-S440 PolarHBondContact O-N 3.15Å; R437-S440 PolarHBondContact O-OG 3.35Å; D438-S440 PolarHBondContact O-N 3.31Å; S440-N516 PolarHBondContact O-ND2 3.32Å; S440-N516 VanDerWaalsContact O-ND2 3.11Å
441Q96.8Very high98.2Very high119 Ų11932.2 Ų32.256%0.55617%0.166SC*.Hα-helixtrans-112.5-2.1179.866.9179.8600113.7I289 D438 L439I289-Q441 VanDerWaalsContact CD1-NE2 3.29Å; D438-Q441 CarbonylContact O-C 3.47Å; D438-Q441 VanDerWaalsContact O-CG 3.25Å; D438-Q441 WeakPolarHBondContact O-CG 3.47Å; D438-Q441 PolarHBondContact O-N 2.89Å; L439-Q441 PolarHBondContact O-N 3.06Å
442L97.9Very high98.2Very high7 Ų733.2 Ų33.24%0.03717%0.172CC..  trans-65.1136.1179.1-172.564.4000110.7D438 L439 S446 L447 F513 S519D438-L442 PolarHBondContact O-N 3.03Å; L439-L442 HydrophobicContact CD1-CD2 4.21Å; L439-L442 PolarHBondContact O-N 3.39Å; L442-S446 WeakPolarHBondContact CD1-OG 3.23Å; L442-L447 HydrophobicContact CD1-CD2 3.92Å; L442-L447 HydrophobicContact CD1-CG 4.43Å; L442-F513 HydrophobicContact CD2-CE1 4.02Å; L442-S519 WeakPolarHBondContact O-CA 3.39Å; L442-S519 WeakPolarHBondContact O-CB 3.43Å
443T98.5Very high98.3Very high41 Ų4132.7 Ų32.725%0.25217%0.169SC..  trans-119.5156179.967.10000111.9S445 S446 L447 S519T443-S445 VanDerWaalsContact C-N 3.29Å; T443-S445 PolarHBondContact O-N 3.35Å; T443-S445 PolarHBondContact OG1-OG 3.31Å; T443-S445 VanDerWaalsContact OG1-OG 3.1Å; T443-S446 PolarHBondContact N-OG 2.82Å; T443-S446 PolarHBondContact O-N 2.97Å; T443-S446 PolarHBondContact O-OG 3.06Å; T443-S446 WeakPolarHBondContact OG1-CB 3.17Å; T443-S446 PolarHBondContact OG1-N 3.29Å; T443-S446 VanDerWaalsContact OG1-N 3.08Å; T443-S446 PolarHBondContact OG1-OG 3.05Å; T443-L447 PolarHBondContact O-N 3Å; T443-S519 CarbonylContact C-O 3.59Å; T443-S519 WeakPolarHBondContact CA-O 3.43Å
444Y98.7Very high98.3Very high30 Ų3036.8 Ų36.812%0.11819%0.186CC..Hα-helixtrans-63.1-39173.8178.9-133.3000111.4S446 L447 C448 S519 F521 K533 F534 M537Y444-S446 VanDerWaalsContact C-N 3.3Å; Y444-S446 PolarHBondContact O-N 3.46Å; Y444-L447 PolarHBondContact O-N 2.92Å; Y444-C448 PolarHBondContact O-N 3.13Å; Y444-C448 PolarHBondContact O-SG 3.47Å; Y444-S519 PolarHBondContact N-O 3.46Å; Y444-F521 VanDerWaalsContact CA-CE2 3.43Å; Y444-F521 AromaticContact CD2-CD1 4Å; Y444-F521 HydrophobicContact CD2-CD1 4Å; Y444-F521 AromaticContact CD2-CE1 3.67Å; Y444-F521 HydrophobicContact CD2-CE1 3.67Å; Y444-F521 AromaticContact CD2-CZ 3.98Å; Y444-F521 HydrophobicContact CD2-CZ 3.98Å; Y444-F521 HydrophobicContact CE2-CE1 4.48Å; Y444-F521 HydrophobicContact CG-CD1 4.45Å; Y444-F521 HydrophobicContact CG-CE1 4.42Å; Y444-F521 VanDerWaalsContact N-CE2 3.33Å; Y444-K533 HydrophobicContact CE1-CD 4.5Å; Y444-F534 AromaticContact CE2-CD2 3.8Å; Y444-F534 HydrophobicContact CE2-CD2 3.8Å; Y444-F534 HydrophobicContact CE2-CE2 4.3Å; Y444-F534 AromaticContact CZ-CD2 3.99Å; Y444-F534 WeakPolarHBondContact OH-CA 3.34Å; Y444-F534 PolarHBondContact OH-N 2.8Å; Y444-M537 HydrophobicContact CD2-CE 4.45Å; Y444-M537 HydrophobicContact CE2-CB 4.32Å; Y444-M537 HydrophobicContact CE2-CE 4.01Å; Y444-M537 HydrophobicContact CE2-CG 4.16Å
445S98.3Very high98.3Very high34 Ų3442.6 Ų42.624%0.23821%0.213CC..Hα-helixtrans-62.8-35.2175.665.20000112.4T443 L447 C448 E455T443-S445 VanDerWaalsContact C-N 3.29Å; T443-S445 PolarHBondContact O-N 3.35Å; T443-S445 PolarHBondContact OG1-OG 3.31Å; T443-S445 VanDerWaalsContact OG1-OG 3.1Å; S445-L447 VanDerWaalsContact C-N 3.26Å; S445-L447 PolarHBondContact O-N 3.42Å; S445-C448 PolarHBondContact O-N 2.82Å; S445-C448 VanDerWaalsContact O-N 3.11Å; S445-E455 WeakPolarHBondContact CB-OE1 3.41Å; S445-E455 PolarHBondContact OG-OE1 2.67Å; S445-E455 PolarHBondContact OG-OE2 3.21Å
446S98Very high98.3Very high29 Ų2943.8 Ų43.820%0.20322%0.218CC..Hα-helixtrans-72.4-19.4179.276.60000113.4L442 T443 Y444 N452L442-S446 WeakPolarHBondContact CD1-OG 3.23Å; T443-S446 PolarHBondContact N-OG 2.82Å; T443-S446 PolarHBondContact O-N 2.97Å; T443-S446 PolarHBondContact O-OG 3.06Å; T443-S446 WeakPolarHBondContact OG1-CB 3.17Å; T443-S446 PolarHBondContact OG1-N 3.29Å; T443-S446 VanDerWaalsContact OG1-N 3.08Å; T443-S446 PolarHBondContact OG1-OG 3.05Å; Y444-S446 VanDerWaalsContact C-N 3.3Å; Y444-S446 PolarHBondContact O-N 3.46Å; S446-N452 PolarHBondContact O-ND2 3.03Å
447L98.4Very high98.3Very high3 Ų340.8 Ų40.82%0.01621%0.211CC..Hα-helixtrans-88.1-13.3170.2-62.7-159.9000113.8L374 L442 T443 Y444 S445 F513 F521 M537L374-L447 HydrophobicContact CD1-CD1 3.47Å; L374-L447 VanDerWaalsContact CD1-CD1 3.47Å; L442-L447 HydrophobicContact CD1-CD2 3.92Å; L442-L447 HydrophobicContact CD1-CG 4.43Å; T443-L447 PolarHBondContact O-N 3Å; Y444-L447 PolarHBondContact O-N 2.92Å; S445-L447 VanDerWaalsContact C-N 3.26Å; S445-L447 PolarHBondContact O-N 3.42Å; L447-F513 HydrophobicContact CD1-CZ 4.49Å; L447-F521 HydrophobicContact CD1-CE1 4.29Å; L447-F521 HydrophobicContact CD1-CZ 3.56Å; L447-F521 HydrophobicContact CG-CZ 4.05Å; L447-M537 HydrophobicContact CB-CG 3.99Å; L447-M537 HydrophobicContact CB-SD 4.19Å; L447-M537 HydrophobicContact CD1-SD 4.1Å
448C98.8Very high98.3Very high0 Ų037.3 Ų37.30%020%0.197CC..SBendtrans-91.9116.1173.8-59.20000109.5Y444 S445 E451 N452 W474Y444-C448 PolarHBondContact O-N 3.13Å; Y444-C448 PolarHBondContact O-SG 3.47Å; S445-C448 PolarHBondContact O-N 2.82Å; S445-C448 VanDerWaalsContact O-N 3.11Å; C448-E451 HydrophobicContact CB-CB 4.46Å; C448-E451 WeakPolarHBondContact CB-OE2 3.36Å; C448-E451 PolarHBondContact O-N 2.94Å; C448-N452 WeakPolarHBondContact O-CB 3Å; C448-N452 PolarHBondContact O-N 2.73Å; C448-W474 VanDerWaalsContact CA-CH2 3.46Å; C448-W474 HydrophobicContact CB-CH2 3.71Å; C448-W474 HydrophobicContact CB-CZ2 3.98Å
449L98.6Very high98.3Very high5 Ų542.5 Ų42.53%0.02622%0.221CC..Hα-helixtrans-59.8-46.6-167.2179.776.4000113.9E451 N452 I453 Y466 A470 L471 W474 F540L449-E451 VanDerWaalsContact C-N 3.35Å; L449-E451 PolarHBondContact O-N 3.21Å; L449-N452 PolarHBondContact O-N 3.03Å; L449-I453 HydrophobicContact CD1-CD1 4.33Å; L449-I453 HydrophobicContact CD1-CG1 3.96Å; L449-I453 HydrophobicContact CG-CG1 4.17Å; L449-I453 WeakPolarHBondContact O-CG1 3.4Å; L449-I453 PolarHBondContact O-N 3.01Å; L449-Y466 HydrophobicContact CD1-CE1 4.08Å; L449-A470 HydrophobicContact CD1-CB 4.43Å; L449-A470 HydrophobicContact CD2-CB 3.34Å; L449-A470 WeakPolarHBondContact CD2-O 3.48Å; L449-L471 HydrophobicContact CD2-CD2 3.83Å; L449-L471 HydrophobicContact CD2-CG 4.07Å; L449-L471 HydrophobicContact CG-CD2 4Å; L449-W474 HydrophobicContact CB-CD2 4.16Å; L449-W474 HydrophobicContact CB-CE3 3.75Å; L449-W474 HydrophobicContact CB-CZ3 4.35Å; L449-W474 HydrophobicContact CD2-CB 4.25Å; L449-F540 HydrophobicContact CB-CE1 4.24Å; L449-F540 HydrophobicContact CB-CZ 4.05Å; L449-F540 HydrophobicContact CD1-CZ 4.3Å; L449-F540 HydrophobicContact CD2-CE2 3.95Å; L449-F540 HydrophobicContact CD2-CZ 3.73Å; L449-F540 HydrophobicContact CG-CZ 4.25Å
450P98.8Very high98.1Very high40 Ų4047 Ų4726%0.2625%0.253SS..Hα-helixtrans-59.5-44.9-179.1-24.735.6000112.6I453 K454 L471 W474P450-I453 PolarHBondContact O-N 2.79Å; P450-K454 WeakPolarHBondContact O-CB 3.48Å; P450-K454 PolarHBondContact O-N 3.01Å; P450-L471 HydrophobicContact CB-CD2 4.25Å; P450-L471 HydrophobicContact CG-CD2 4.07Å; P450-W474 VanDerWaalsContact CD-CE2 3.48Å; P450-W474 VanDerWaalsContact CG-CD1 3.43Å; P450-W474 HydrophobicContact CG-CD2 4.21Å; P450-W474 HydrophobicContact CG-CG 3.94Å
451E98.7Very high98Very high53 Ų5343.4 Ų43.425%0.24823%0.228CC..Hα-helixtrans-63.1-46.6176-67.583.1169.400111C448 L449 I453 K454 E455 K533C448-E451 HydrophobicContact CB-CB 4.46Å; C448-E451 WeakPolarHBondContact CB-OE2 3.36Å; C448-E451 PolarHBondContact O-N 2.94Å; L449-E451 VanDerWaalsContact C-N 3.35Å; L449-E451 PolarHBondContact O-N 3.21Å; E451-I453 PolarHBondContact O-N 3.46Å; E451-K454 PolarHBondContact O-N 2.91Å; E451-E455 VanDerWaalsContact O-CB 3.31Å; E451-E455 WeakPolarHBondContact O-CB 3.17Å; E451-E455 VanDerWaalsContact O-CG 3.26Å; E451-E455 WeakPolarHBondContact O-CG 2.86Å; E451-E455 PolarHBondContact O-N 2.95Å; E451-K533 VanDerWaalsContact OE1-CE 3.3Å; E451-K533 WeakPolarHBondContact OE1-CE 3.33Å; E451-K533 IonicContact OE1-NZ 3.61Å; E451-K533 PolarHBondContact OE1-NZ 2.94Å
452N98.6Very high98Very high25 Ų2540 Ų4013%0.13422%0.216CC..Hα-helixtrans-58.4-44.4178.1178.8-80.5000112.7S446 C448 L449 R456S446-N452 PolarHBondContact O-ND2 3.03Å; C448-N452 WeakPolarHBondContact O-CB 3Å; C448-N452 PolarHBondContact O-N 2.73Å; L449-N452 PolarHBondContact O-N 3.03Å; N452-R456 WeakPolarHBondContact O-CB 3.42Å; N452-R456 WeakPolarHBondContact O-CG 3.14Å; N452-R456 PolarHBondContact O-N 2.94Å; N452-R456 VanDerWaalsContact O-N 3.15Å; N452-R456 PolarHBondContact O-NE 2.82Å; N452-R456 PolarHBondContact OD1-NE 3.33Å; N452-R456 PolarHBondContact OD1-NH2 2.94Å
453I98.8Very high98Very high2 Ų242.9 Ų42.91%0.0123%0.232CC..Hα-helixtrans-64.9-42.9178.1-69.7-64.6000111L449 P450 E451 G457 L458 E459 F464 R467L449-I453 HydrophobicContact CD1-CD1 4.33Å; L449-I453 HydrophobicContact CD1-CG1 3.96Å; L449-I453 HydrophobicContact CG-CG1 4.17Å; L449-I453 WeakPolarHBondContact O-CG1 3.4Å; L449-I453 PolarHBondContact O-N 3.01Å; P450-I453 PolarHBondContact O-N 2.79Å; E451-I453 PolarHBondContact O-N 3.46Å; I453-G457 PolarHBondContact O-N 2.83Å; I453-L458 HydrophobicContact CG2-CB 4.33Å; I453-L458 PolarHBondContact O-N 2.95Å; I453-E459 HydrophobicContact CG2-CG 4.12Å; I453-F464 HydrophobicContact CD1-CE1 4Å; I453-F464 HydrophobicContact CD1-CZ 4.33Å; I453-R467 HydrophobicContact CD1-CB 3.99Å; I453-R467 HydrophobicContact CD1-CG 3.83Å; I453-R467 HydrophobicContact CG1-CG 4.07Å; I453-R467 HydrophobicContact CG2-CG 3.96Å
454K98.6Very high98Very high136 Ų13640.9 Ų40.959%0.59122%0.22SC*.Hα-helixtrans-67.1-47.3178.9-177.2176.2-178.3177.10112.4P450 E451 R456 G457 E459P450-K454 WeakPolarHBondContact O-CB 3.48Å; P450-K454 PolarHBondContact O-N 3.01Å; E451-K454 PolarHBondContact O-N 2.91Å; K454-R456 PolarHBondContact O-N 3.4Å; K454-G457 WeakPolarHBondContact O-CA 3.4Å; K454-G457 PolarHBondContact O-N 2.91Å; K454-E459 HydrophobicContact CB-CG 4.49Å
455E98.4Very high98Very high122 Ų12240.9 Ų40.957%0.5722%0.22SC*.Hα-helixtrans-60.8-34.5178.5-75.2176.2-177.500111.9S445 E451 G457S445-E455 WeakPolarHBondContact CB-OE1 3.41Å; S445-E455 PolarHBondContact OG-OE1 2.67Å; S445-E455 PolarHBondContact OG-OE2 3.21Å; E451-E455 VanDerWaalsContact O-CB 3.31Å; E451-E455 WeakPolarHBondContact O-CB 3.17Å; E451-E455 VanDerWaalsContact O-CG 3.26Å; E451-E455 WeakPolarHBondContact O-CG 2.86Å; E451-E455 PolarHBondContact O-N 2.95Å; E455-G457 VanDerWaalsContact C-N 3.28Å
456R98.5Very high98Very high25 Ų2539.3 Ų39.39%0.09421%0.208CC..THydrogen-bonded Turntrans-80.6-5.6173.8-66.1-171.9-63.8153.8-10.9113.7P243 N244 I246 K247 R248 N452 K454 L458P243-R456 PolarHBondContact O-NH1 3.33Å; P243-R456 PolarHBondContact O-NH2 3.18Å; N244-R456 PolarHBondContact O-NH1 2.99Å; N244-R456 VanDerWaalsContact O-NH1 3.11Å; I246-R456 WeakPolarHBondContact O-CD 3.4Å; I246-R456 PolarHBondContact O-NH1 3.23Å; K247-R456 CarbonylContact C-O 3.6Å; K247-R456 WeakPolarHBondContact CA-O 3.17Å; K247-R456 HydrophobicContact CB-CB 4.03Å; K247-R456 HydrophobicContact CB-CG 4.31Å; R248-R456 PolarHBondContact N-O 3.15Å; N452-R456 WeakPolarHBondContact O-CB 3.42Å; N452-R456 WeakPolarHBondContact O-CG 3.14Å; N452-R456 PolarHBondContact O-N 2.94Å; N452-R456 VanDerWaalsContact O-N 3.15Å; N452-R456 PolarHBondContact O-NE 2.82Å; N452-R456 PolarHBondContact OD1-NE 3.33Å; N452-R456 PolarHBondContact OD1-NH2 2.94Å; K454-R456 PolarHBondContact O-N 3.4Å; R456-L458 HydrophobicContact CB-CD1 3.85Å; R456-L458 HydrophobicContact CB-CG 3.8Å
457G98.3Very high98Very high13 Ų1338.9 Ų38.913%0.13420%0.202CC..THydrogen-bonded Turntrans67.134.7179.300000113.6I453 K454 E455I453-G457 PolarHBondContact O-N 2.83Å; K454-G457 WeakPolarHBondContact O-CA 3.4Å; K454-G457 PolarHBondContact O-N 2.91Å; E455-G457 VanDerWaalsContact C-N 3.28Å
458L98.4Very high98.1Very high0 Ų041.4 Ų41.40%022%0.216CC..  trans-105.714.7-173-56.2178.7000113.4I246 F283 I453 R456 S460 I461 F464 R467I246-L458 HydrophobicContact CG2-CD1 4.1Å; I246-L458 WeakPolarHBondContact O-CD1 3.44Å; F283-L458 HydrophobicContact CD1-CD2 3.84Å; F283-L458 HydrophobicContact CE1-CD2 3.79Å; I453-L458 HydrophobicContact CG2-CB 4.33Å; I453-L458 PolarHBondContact O-N 2.95Å; R456-L458 HydrophobicContact CB-CD1 3.85Å; R456-L458 HydrophobicContact CB-CG 3.8Å; L458-S460 VanDerWaalsContact C-N 3.28Å; L458-S460 PolarHBondContact O-N 3.19Å; L458-I461 HydrophobicContact CB-CG2 4.25Å; L458-F464 HydrophobicContact CB-CD1 4.27Å; L458-F464 HydrophobicContact CB-CE1 3.89Å; L458-F464 HydrophobicContact CD1-CE1 3.58Å; L458-F464 HydrophobicContact CD1-CZ 4.15Å; L458-F464 HydrophobicContact CG-CE1 4.32Å; L458-R467 WeakPolarHBondContact O-CD 3.47Å; L458-R467 PolarHBondContact O-NH1 3.23Å
459E97.4Very high98.1Very high119 Ų11941.6 Ų41.656%0.55622%0.217SC*.SBendtrans-63.8-32-176.6-66.8172115.500112.8I453 K454 R467I453-E459 HydrophobicContact CG2-CG 4.12Å; K454-E459 HydrophobicContact CB-CG 4.49Å; E459-R467 PolarHBondContact O-NH1 2.79Å
460S94.1Very high98.1Very high104 Ų10441.3 Ų41.373%0.72722%0.216SC*.SBendtrans-110.8-4.1-170.759.80000115.4L458L458-S460 VanDerWaalsContact C-N 3.28Å; L458-S460 PolarHBondContact O-N 3.19Å
461I96.5Very high98.1Very high4 Ų441.5 Ų41.52%0.02121%0.214CC..  trans-65.2128.2-179.8-170.3177000109.9L238 F283 L320 L458 F464 R467L238-I461 HydrophobicContact CD1-CD1 3.77Å; L238-I461 HydrophobicContact CD1-CG1 4.43Å; L238-I461 HydrophobicContact CD2-CD1 3.93Å; L238-I461 HydrophobicContact CG-CD1 4.47Å; F283-I461 HydrophobicContact CD1-CD1 4.3Å; F283-I461 HydrophobicContact CD2-CD1 4.5Å; F283-I461 HydrophobicContact CE1-CB 4.31Å; F283-I461 HydrophobicContact CE1-CD1 3.83Å; F283-I461 HydrophobicContact CE1-CG1 4.39Å; F283-I461 HydrophobicContact CE2-CD1 4.07Å; F283-I461 HydrophobicContact CZ-CB 4.13Å; F283-I461 HydrophobicContact CZ-CD1 3.71Å; F283-I461 HydrophobicContact CZ-CG1 3.99Å; L320-I461 HydrophobicContact CD1-CD1 4.29Å; L458-I461 HydrophobicContact CB-CG2 4.25Å; I461-F464 HydrophobicContact CG2-CB 3.95Å; I461-F464 HydrophobicContact CG2-CD1 3.6Å; I461-F464 HydrophobicContact CG2-CG 4.2Å; I461-R467 VanDerWaalsContact O-CZ 3.28Å; I461-R467 PolarHBondContact O-NH1 3.35Å; I461-R467 PolarHBondContact O-NH2 2.97Å
462P96.8Very high98.1Very high47 Ų4742.7 Ų42.731%0.30522%0.219SC..SBendtrans-71.8166178.530.6-35.9000111.3K314 F464K314-P462 HydrophobicContact CD-CG 4.15Å; K314-P462 HydrophobicContact CG-CG 4.49Å; P462-F464 PolarHBondContact O-N 2.99Å
463N96.8Very high98.1Very high68 Ų6841.6 Ų41.636%0.36421%0.212SC..SBendtrans57.132.4172.7-52-46.6000114.2N239 G318 Y465N239-N463 PolarHBondContact ND2-O 3.41Å; G318-N463 PolarHBondContact O-ND2 3.42Å; N463-Y465 PolarHBondContact OD1-OH 3.38Å
464F98.4Very high98.1Very high0 Ų042 Ų420%021%0.214CC..  trans-107.474177.8-169.8-171.3000110.4L238 P243 I453 L458 I461 P462 Y466 R467 D468L238-F464 HydrophobicContact CB-CB 4.5Å; L238-F464 HydrophobicContact CB-CD2 3.66Å; L238-F464 HydrophobicContact CB-CE2 4.12Å; L238-F464 HydrophobicContact CB-CG 4.22Å; L238-F464 HydrophobicContact CD1-CB 4.48Å; L238-F464 HydrophobicContact CD2-CB 4.46Å; L238-F464 HydrophobicContact CD2-CD1 4.09Å; L238-F464 HydrophobicContact CD2-CD2 3.96Å; L238-F464 HydrophobicContact CD2-CE1 4.28Å; L238-F464 HydrophobicContact CD2-CE2 4.13Å; L238-F464 HydrophobicContact CD2-CG 3.93Å; L238-F464 HydrophobicContact CD2-CZ 4.28Å; L238-F464 HydrophobicContact CG-CD2 4.36Å; L238-F464 WeakPolarHBondContact O-CD2 3.46Å; L238-F464 WeakPolarHBondContact O-CE2 3.45Å; P243-F464 HydrophobicContact CB-CE2 3.96Å; P243-F464 HydrophobicContact CB-CZ 4.42Å; I453-F464 HydrophobicContact CD1-CE1 4Å; I453-F464 HydrophobicContact CD1-CZ 4.33Å; L458-F464 HydrophobicContact CB-CD1 4.27Å; L458-F464 HydrophobicContact CB-CE1 3.89Å; L458-F464 HydrophobicContact CD1-CE1 3.58Å; L458-F464 HydrophobicContact CD1-CZ 4.15Å; L458-F464 HydrophobicContact CG-CE1 4.32Å; I461-F464 HydrophobicContact CG2-CB 3.95Å; I461-F464 HydrophobicContact CG2-CD1 3.6Å; I461-F464 HydrophobicContact CG2-CG 4.2Å; P462-F464 PolarHBondContact O-N 2.99Å; F464-Y466 VanDerWaalsContact C-N 3.33Å; F464-Y466 AromaticContact CE2-CD1 3.64Å; F464-Y466 HydrophobicContact CE2-CD1 3.64Å; F464-Y466 HydrophobicContact CE2-CG 4.21Å; F464-Y466 AromaticContact CZ-CD1 3.87Å; F464-Y466 HydrophobicContact CZ-CD1 3.87Å; F464-Y466 PolarHBondContact O-N 3.38Å; F464-R467 HydrophobicContact CB-CB 4.32Å; F464-R467 HydrophobicContact CD1-CB 3.48Å; F464-R467 VanDerWaalsContact CD1-CB 3.48Å; F464-R467 HydrophobicContact CD1-CG 4.28Å; F464-R467 HydrophobicContact CD2-CB 4.06Å; F464-R467 HydrophobicContact CE1-CB 3.72Å; F464-R467 HydrophobicContact CE2-CB 4.28Å; F464-R467 HydrophobicContact CG-CB 3.68Å; F464-R467 HydrophobicContact CZ-CB 4.14Å; F464-R467 WeakPolarHBondContact O-CB 3.43Å; F464-R467 PolarHBondContact O-N 3.39Å; F464-R467 VanDerWaalsContact O-N 3.12Å; F464-D468 PolarHBondContact O-N 2.92Å; F464-D468 VanDerWaalsContact O-N 3.12Å
465Y98.6Very high98.1Very high29 Ų2939.3 Ų39.311%0.11421%0.206CC..Hα-helixtrans-66.1-32.6-170.8-51.6-49.9000113.2Y235 N239 N463 R467 D468 D469 L651Y235-Y465 HydrophobicContact CE2-CD2 4.46Å; Y235-Y465 HydrophobicContact CE2-CE2 4.09Å; N239-Y465 WeakPolarHBondContact OD1-CB 3.49Å; N239-Y465 PolarHBondContact OD1-N 3.47Å; N463-Y465 PolarHBondContact OD1-OH 3.38Å; Y465-R467 PolarHBondContact O-N 3.39Å; Y465-D468 PolarHBondContact O-N 3.42Å; Y465-D469 WeakPolarHBondContact O-CB 3.32Å; Y465-D469 VanDerWaalsContact O-CG 3.24Å; Y465-D469 PolarHBondContact O-N 3.29Å; Y465-L651 HydrophobicContact CD2-CD1 3.92Å; Y465-L651 HydrophobicContact CE1-CD1 4.17Å; Y465-L651 HydrophobicContact CE1-CD2 4.4Å; Y465-L651 HydrophobicContact CE2-CD1 3.46Å; Y465-L651 VanDerWaalsContact CE2-CD1 3.46Å; Y465-L651 HydrophobicContact CE2-CD2 4.23Å; Y465-L651 HydrophobicContact CE2-CG 4.49Å; Y465-L651 HydrophobicContact CG-CD1 4.44Å; Y465-L651 WeakPolarHBondContact OH-CD2 3.44Å
466Y98.8Very high98.1Very high1 Ų135 Ų350%0.00418%0.184CC..Hα-helixtrans-54.7-52170.2165.4-100.4000111.2L238 P243 L449 F464 D468 A470 Q545 A548 Y655 L658L238-Y466 WeakPolarHBondContact O-CB 3.38Å; P243-Y466 HydrophobicContact CB-CD1 3.59Å; P243-Y466 HydrophobicContact CB-CD2 4.4Å; P243-Y466 HydrophobicContact CB-CE1 4.12Å; P243-Y466 HydrophobicContact CB-CG 3.73Å; P243-Y466 HydrophobicContact CG-CD1 3.65Å; P243-Y466 HydrophobicContact CG-CD2 3.68Å; P243-Y466 HydrophobicContact CG-CE1 3.88Å; P243-Y466 HydrophobicContact CG-CE2 3.9Å; P243-Y466 HydrophobicContact CG-CG 3.52Å; L449-Y466 HydrophobicContact CD1-CE1 4.08Å; F464-Y466 VanDerWaalsContact C-N 3.33Å; F464-Y466 AromaticContact CE2-CD1 3.64Å; F464-Y466 HydrophobicContact CE2-CD1 3.64Å; F464-Y466 HydrophobicContact CE2-CG 4.21Å; F464-Y466 AromaticContact CZ-CD1 3.87Å; F464-Y466 HydrophobicContact CZ-CD1 3.87Å; F464-Y466 PolarHBondContact O-N 3.38Å; Y466-D468 PolarHBondContact O-N 2.9Å; Y466-A470 HydrophobicContact CD2-CB 4.4Å; Y466-A470 HydrophobicContact CE2-CB 4.19Å; Y466-A470 WeakPolarHBondContact O-CB 3.3Å; Y466-A470 PolarHBondContact O-N 3.28Å; Y466-Q545 PolarHBondContact OH-NE2 2.92Å; Y466-Q545 PolarHBondContact OH-OE1 3.26Å; Y466-A548 HydrophobicContact CD2-CB 3.83Å; Y466-A548 HydrophobicContact CE2-CB 3.59Å; Y466-Y655 WeakPolarHBondContact CD2-OH 3.46Å; Y466-L658 HydrophobicContact CD2-CD1 3.86Å; Y466-L658 HydrophobicContact CE2-CD1 4.29Å
467R98.7Very high98.1Very high20 Ų2033.8 Ų33.88%0.07518%0.18CC..Hα-helixtrans-59.4-49.8179173.2-158.768.4-152.6-6.3110.6I453 L458 E459 I461 F464 Y465 D469 A470 L471I453-R467 HydrophobicContact CD1-CB 3.99Å; I453-R467 HydrophobicContact CD1-CG 3.83Å; I453-R467 HydrophobicContact CG1-CG 4.07Å; I453-R467 HydrophobicContact CG2-CG 3.96Å; L458-R467 WeakPolarHBondContact O-CD 3.47Å; L458-R467 PolarHBondContact O-NH1 3.23Å; E459-R467 PolarHBondContact O-NH1 2.79Å; I461-R467 VanDerWaalsContact O-CZ 3.28Å; I461-R467 PolarHBondContact O-NH1 3.35Å; I461-R467 PolarHBondContact O-NH2 2.97Å; F464-R467 HydrophobicContact CB-CB 4.32Å; F464-R467 HydrophobicContact CD1-CB 3.48Å; F464-R467 VanDerWaalsContact CD1-CB 3.48Å; F464-R467 HydrophobicContact CD1-CG 4.28Å; F464-R467 HydrophobicContact CD2-CB 4.06Å; F464-R467 HydrophobicContact CE1-CB 3.72Å; F464-R467 HydrophobicContact CE2-CB 4.28Å; F464-R467 HydrophobicContact CG-CB 3.68Å; F464-R467 HydrophobicContact CZ-CB 4.14Å; F464-R467 WeakPolarHBondContact O-CB 3.43Å; F464-R467 PolarHBondContact O-N 3.39Å; F464-R467 VanDerWaalsContact O-N 3.12Å; Y465-R467 PolarHBondContact O-N 3.39Å; R467-D469 PolarHBondContact O-N 3.02Å; R467-A470 PolarHBondContact O-N 3.25Å; R467-L471 HydrophobicContact CG-CD1 3.57Å; R467-L471 HydrophobicContact CG-CG 4.14Å; R467-L471 WeakPolarHBondContact O-CB 3.49Å; R467-L471 VanDerWaalsContact O-CG 3.28Å; R467-L471 WeakPolarHBondContact O-CG 3.49Å; R467-L471 PolarHBondContact O-N 3.33Å
468D98.8Very high98.2Very high56 Ų5635.5 Ų35.530%0.29919%0.186SC..Hα-helixtrans-61.3-45.1-172.3-62.6-20.2000111.6F464 Y465 Y466 K472F464-D468 PolarHBondContact O-N 2.92Å; F464-D468 VanDerWaalsContact O-N 3.12Å; Y465-D468 PolarHBondContact O-N 3.42Å; Y466-D468 PolarHBondContact O-N 2.9Å; D468-K472 WeakPolarHBondContact O-CG 3.31Å
469D98.8Very high98.2Very high4 Ų441.3 Ų41.32%0.02121%0.213CC..Hα-helixtrans-73.7-44.5179.2-61.5-3.9000111.2Y465 R467 L471 K472 L473 I644 R647 Y655 L658Y465-D469 WeakPolarHBondContact O-CB 3.32Å; Y465-D469 VanDerWaalsContact O-CG 3.24Å; Y465-D469 PolarHBondContact O-N 3.29Å; R467-D469 PolarHBondContact O-N 3.02Å; D469-L471 PolarHBondContact O-N 3.11Å; D469-K472 PolarHBondContact O-N 3.44Å; D469-L473 WeakPolarHBondContact O-CG 3.45Å; D469-L473 PolarHBondContact O-N 3.17Å; D469-I644 HydrophobicContact CB-CD1 4.23Å; D469-R647 IonicContact OD1-CZ 3.82Å; D469-R647 VanDerWaalsContact OD1-CZ 3.26Å; D469-R647 IonicContact OD1-NH1 2.72Å; D469-R647 PolarHBondContact OD1-NH1 3.46Å; D469-R647 IonicContact OD1-NH2 2.83Å; D469-R647 PolarHBondContact OD1-NH2 2.92Å; D469-R647 IonicContact OD2-CZ 2.86Å; D469-R647 IonicContact OD2-NH1 2.9Å; D469-R647 IonicContact OD2-NH2 2.68Å; D469-R647 PolarHBondContact OD2-NH2 2.86Å; D469-Y655 WeakPolarHBondContact OD2-CD1 3.3Å; D469-L658 HydrophobicContact CB-CB 3.89Å; D469-L658 HydrophobicContact CB-CD1 4.01Å
470A98.8Very high98.2Very high0 Ų036.1 Ų36.10%019%0.189CC..Hα-helixtrans-67.3-34.5-17600000112.3L449 Y466 R467 L473 W474 F540 L658L449-A470 HydrophobicContact CD1-CB 4.43Å; L449-A470 HydrophobicContact CD2-CB 3.34Å; L449-A470 WeakPolarHBondContact CD2-O 3.48Å; Y466-A470 HydrophobicContact CD2-CB 4.4Å; Y466-A470 HydrophobicContact CE2-CB 4.19Å; Y466-A470 WeakPolarHBondContact O-CB 3.3Å; Y466-A470 PolarHBondContact O-N 3.28Å; R467-A470 PolarHBondContact O-N 3.25Å; A470-L473 PolarHBondContact O-N 3.49Å; A470-W474 WeakPolarHBondContact O-CB 3.44Å; A470-W474 PolarHBondContact O-N 3.46Å; A470-F540 HydrophobicContact CB-CE2 4.24Å; A470-F540 HydrophobicContact CB-CZ 4.05Å; A470-L658 HydrophobicContact CB-CD1 3.66Å
471L98.9Very high98.5Very high44 Ų4431.2 Ų31.223%0.2316%0.155CC..Hα-helixtrans-67.8-38.7175.6-75.1175.6000111.8L449 P450 R467 D469 W474 N475L449-L471 HydrophobicContact CD2-CD2 3.83Å; L449-L471 HydrophobicContact CD2-CG 4.07Å; L449-L471 HydrophobicContact CG-CD2 4Å; P450-L471 HydrophobicContact CB-CD2 4.25Å; P450-L471 HydrophobicContact CG-CD2 4.07Å; R467-L471 HydrophobicContact CG-CD1 3.57Å; R467-L471 HydrophobicContact CG-CG 4.14Å; R467-L471 WeakPolarHBondContact O-CB 3.49Å; R467-L471 VanDerWaalsContact O-CG 3.28Å; R467-L471 WeakPolarHBondContact O-CG 3.49Å; R467-L471 PolarHBondContact O-N 3.33Å; D469-L471 PolarHBondContact O-N 3.11Å; L471-W474 PolarHBondContact O-N 2.65Å; L471-N475 PolarHBondContact O-N 2.88Å; L471-N475 PolarHBondContact O-ND2 3.16Å; L471-N475 PolarHBondContact O-OD1 3.38Å
472K98.9Very high98.6Very high78 Ų7833 Ų3334%0.33917%0.166SC..Hα-helixtrans-62.8-47.8173.2-70.3-178.8179.1-177.20111D468 D469 W474 N475 Y476 L640 E643D468-K472 WeakPolarHBondContact O-CG 3.31Å; D469-K472 PolarHBondContact O-N 3.44Å; K472-W474 VanDerWaalsContact C-N 3.34Å; K472-W474 PolarHBondContact O-N 2.85Å; K472-N475 PolarHBondContact O-N 3.22Å; K472-Y476 HydrophobicContact CB-CE2 4.2Å; K472-Y476 VanDerWaalsContact O-CD2 3.26Å; K472-Y476 WeakPolarHBondContact O-CD2 3.37Å; K472-Y476 VanDerWaalsContact O-CG 3.31Å; K472-Y476 PolarHBondContact O-N 2.9Å; K472-L640 HydrophobicContact CB-CD1 4.28Å; K472-L640 HydrophobicContact CB-CD2 4.2Å; K472-L640 HydrophobicContact CD-CD1 3.58Å; K472-E643 IonicContact NZ-OE1 3.93Å; K472-E643 IonicContact NZ-OE2 3.12Å; K472-E643 PolarHBondContact NZ-OE2 3Å
473L98.9Very high98.6Very high1 Ų132.4 Ų32.41%0.00516%0.164CC..Hα-helixtrans-60.2-41.6176.2-74166.3000112.7D469 A470 N475 Y476 L477 V544 L613 L637 L640 L658 P660 I663D469-L473 WeakPolarHBondContact O-CG 3.45Å; D469-L473 PolarHBondContact O-N 3.17Å; A470-L473 PolarHBondContact O-N 3.49Å; L473-N475 VanDerWaalsContact C-N 3.34Å; L473-Y476 PolarHBondContact O-N 3.36Å; L473-L477 WeakPolarHBondContact O-CB 3.49Å; L473-L477 VanDerWaalsContact O-CG 3.29Å; L473-L477 WeakPolarHBondContact O-CG 3.36Å; L473-L477 PolarHBondContact O-N 2.98Å; L473-V544 HydrophobicContact CB-CG1 4.17Å; L473-V544 HydrophobicContact CB-CG2 4.04Å; L473-V544 HydrophobicContact CD1-CG1 3.62Å; L473-V544 HydrophobicContact CD1-CG2 4.09Å; L473-V544 HydrophobicContact CG-CG2 4.46Å; L473-L613 HydrophobicContact CD2-CD2 4.33Å; L473-L637 HydrophobicContact CD2-CD2 3.62Å; L473-L640 HydrophobicContact CD1-CD2 4.39Å; L473-L640 HydrophobicContact CD2-CD2 3.66Å; L473-L640 HydrophobicContact CG-CD2 3.61Å; L473-L658 HydrophobicContact CD1-CB 4.08Å; L473-L658 HydrophobicContact CD1-CD2 4.41Å; L473-P660 HydrophobicContact CD2-CG 4.21Å; L473-I663 HydrophobicContact CD1-CD1 3.62Å; L473-I663 HydrophobicContact CD2-CD1 4.39Å
474W98.9Very high98.6Very high12 Ų1229.2 Ų29.25%0.04515%0.147CC..Hα-helixtrans-58.9-46.8174.5178.7-81.7000111.2C448 L449 P450 A470 L471 K472 L477 N478 T536 M537 F540C448-W474 VanDerWaalsContact CA-CH2 3.46Å; C448-W474 HydrophobicContact CB-CH2 3.71Å; C448-W474 HydrophobicContact CB-CZ2 3.98Å; L449-W474 HydrophobicContact CB-CD2 4.16Å; L449-W474 HydrophobicContact CB-CE3 3.75Å; L449-W474 HydrophobicContact CB-CZ3 4.35Å; L449-W474 HydrophobicContact CD2-CB 4.25Å; P450-W474 VanDerWaalsContact CD-CE2 3.48Å; P450-W474 VanDerWaalsContact CG-CD1 3.43Å; P450-W474 HydrophobicContact CG-CD2 4.21Å; P450-W474 HydrophobicContact CG-CG 3.94Å; A470-W474 WeakPolarHBondContact O-CB 3.44Å; A470-W474 PolarHBondContact O-N 3.46Å; L471-W474 PolarHBondContact O-N 2.65Å; K472-W474 VanDerWaalsContact C-N 3.34Å; K472-W474 PolarHBondContact O-N 2.85Å; W474-L477 PolarHBondContact O-N 3.24Å; W474-N478 VanDerWaalsContact O-CB 3.29Å; W474-N478 WeakPolarHBondContact O-CB 3.27Å; W474-N478 PolarHBondContact O-N 2.98Å; W474-T536 HydrophobicContact CD2-CG2 3.88Å; W474-T536 HydrophobicContact CE3-CG2 4.19Å; W474-T536 HydrophobicContact CG-CG2 4.41Å; W474-T536 HydrophobicContact CH2-CG2 4.15Å; W474-T536 HydrophobicContact CZ2-CG2 3.86Å; W474-T536 HydrophobicContact CZ3-CG2 4.32Å; W474-M537 HydrophobicContact CH2-CB 3.93Å; W474-M537 HydrophobicContact CZ3-CB 4.41Å; W474-F540 HydrophobicContact CB-CD2 4.25Å; W474-F540 HydrophobicContact CB-CE2 4.25Å; W474-F540 HydrophobicContact CE3-CB 3.93Å; W474-F540 HydrophobicContact CE3-CD1 4.02Å; W474-F540 AromaticContact CE3-CD2 3.72Å; W474-F540 HydrophobicContact CE3-CD2 3.72Å; W474-F540 HydrophobicContact CE3-CE2 4.23Å; W474-F540 AromaticContact CE3-CG 3.61Å; W474-F540 HydrophobicContact CE3-CG 3.61Å; W474-F540 HydrophobicContact CZ3-CB 3.97Å; W474-F540 HydrophobicContact CZ3-CD1 4.12Å; W474-F540 AromaticContact CZ3-CG 3.95Å; W474-F540 HydrophobicContact CZ3-CG 3.95Å
475N98.9Very high98.6Very high78 Ų7829.3 Ų29.342%0.41715%0.148SC..Hα-helixtrans-62.9-47179.5-68.4-14000111.6L471 K472 L473 L477 N478 E479L471-N475 PolarHBondContact O-N 2.88Å; L471-N475 PolarHBondContact O-ND2 3.16Å; L471-N475 PolarHBondContact O-OD1 3.38Å; K472-N475 PolarHBondContact O-N 3.22Å; L473-N475 VanDerWaalsContact C-N 3.34Å; N475-L477 VanDerWaalsContact C-N 3.33Å; N475-L477 PolarHBondContact O-N 2.91Å; N475-N478 WeakPolarHBondContact O-CB 3.41Å; N475-N478 PolarHBondContact O-N 3.45Å; N475-N478 VanDerWaalsContact O-N 3.07Å; N475-E479 WeakPolarHBondContact O-CG 3.41Å; N475-E479 PolarHBondContact O-N 2.98Å
476Y98.8Very high98.6Very high31 Ų3131.9 Ų31.912%0.12216%0.164CC..Hα-helixtrans-61.3-41.4177-60.4-35.2000112.8K472 L473 N478 Y480 E636 L640K472-Y476 HydrophobicContact CB-CE2 4.2Å; K472-Y476 VanDerWaalsContact O-CD2 3.26Å; K472-Y476 WeakPolarHBondContact O-CD2 3.37Å; K472-Y476 VanDerWaalsContact O-CG 3.31Å; K472-Y476 PolarHBondContact O-N 2.9Å; L473-Y476 PolarHBondContact O-N 3.36Å; Y476-N478 VanDerWaalsContact C-N 3.31Å; Y476-Y480 VanDerWaalsContact O-CB 3.27Å; Y476-Y480 WeakPolarHBondContact O-CB 3.31Å; Y476-Y480 PolarHBondContact O-N 3.41Å; Y476-E636 HydrophobicContact CD1-CB 3.91Å; Y476-E636 HydrophobicContact CD1-CG 4.08Å; Y476-E636 HydrophobicContact CD2-CB 4.2Å; Y476-E636 HydrophobicContact CE1-CB 3.95Å; Y476-E636 HydrophobicContact CE1-CG 4.06Å; Y476-E636 WeakPolarHBondContact CE1-OE2 3.36Å; Y476-E636 HydrophobicContact CE2-CB 4.26Å; Y476-E636 HydrophobicContact CG-CB 4.01Å; Y476-E636 PolarHBondContact OH-OE2 2.94Å; Y476-L640 HydrophobicContact CD2-CD2 4.41Å; Y476-L640 HydrophobicContact CE2-CB 4.06Å; Y476-L640 HydrophobicContact CE2-CD2 4.06Å
477L98.8Very high98.5Very high1 Ų136.4 Ų36.41%0.00518%0.181CC..Hα-helixtrans-64.8-36.9173.9-76.5172.2000111.9L473 W474 N475 A481 T536 I539 F540 V544 F633L473-L477 WeakPolarHBondContact O-CB 3.49Å; L473-L477 VanDerWaalsContact O-CG 3.29Å; L473-L477 WeakPolarHBondContact O-CG 3.36Å; L473-L477 PolarHBondContact O-N 2.98Å; W474-L477 PolarHBondContact O-N 3.24Å; N475-L477 VanDerWaalsContact C-N 3.33Å; N475-L477 PolarHBondContact O-N 2.91Å; L477-A481 WeakPolarHBondContact O-CB 3.33Å; L477-A481 PolarHBondContact O-N 3.06Å; L477-T536 HydrophobicContact CB-CG2 4.05Å; L477-I539 HydrophobicContact CD1-CG2 4.22Å; L477-I539 HydrophobicContact CD2-CB 4.39Å; L477-I539 HydrophobicContact CD2-CG2 3.53Å; L477-F540 HydrophobicContact CD1-CB 4.03Å; L477-F540 HydrophobicContact CD1-CD2 4.14Å; L477-V544 HydrophobicContact CD1-CG2 3.89Å; L477-F633 HydrophobicContact CD2-CE1 4.32Å; L477-F633 HydrophobicContact CD2-CE2 4.02Å; L477-F633 HydrophobicContact CD2-CZ 3.49Å; L477-F633 VanDerWaalsContact CD2-CZ 3.49Å; L477-F633 HydrophobicContact CG-CE2 4.38Å; L477-F633 HydrophobicContact CG-CZ 4.23Å
478N98.8Very high98.4Very high49 Ų4936.5 Ų36.526%0.26218%0.182SC..Hα-helixtrans-69.5-43.7179-172.9-115.8000112.3W474 N475 Y476 A481 T482 T536W474-N478 VanDerWaalsContact O-CB 3.29Å; W474-N478 WeakPolarHBondContact O-CB 3.27Å; W474-N478 PolarHBondContact O-N 2.98Å; N475-N478 WeakPolarHBondContact O-CB 3.41Å; N475-N478 PolarHBondContact O-N 3.45Å; N475-N478 VanDerWaalsContact O-N 3.07Å; Y476-N478 VanDerWaalsContact C-N 3.31Å; N478-A481 PolarHBondContact O-N 2.83Å; N478-T482 VanDerWaalsContact O-CB 3.23Å; N478-T482 WeakPolarHBondContact O-CB 3.33Å; N478-T482 PolarHBondContact O-N 3.02Å; N478-T482 PolarHBondContact O-OG1 3.34Å; N478-T536 VanDerWaalsContact CA-OG1 3.32Å; N478-T536 WeakPolarHBondContact CA-OG1 3.43Å; N478-T536 HydrophobicContact CB-CG2 3.84Å; N478-T536 PolarHBondContact ND2-OG1 2.88Å
479E98.7Very high98.3Very high121 Ų12133.9 Ų33.957%0.56517%0.168SC*.Hα-helixtrans-61.6-46.2174.1-71.3173-18000110.8N475 T482 A483N475-E479 WeakPolarHBondContact O-CG 3.41Å; N475-E479 PolarHBondContact O-N 2.98Å; E479-T482 PolarHBondContact O-N 3.28Å; E479-A483 WeakPolarHBondContact O-CB 3.26Å; E479-A483 PolarHBondContact O-N 3.43Å
480Y98.6Very high98.1Very high11 Ų1139.4 Ų39.44%0.04320%0.202CC..Hα-helixtrans-60.1-49.5175.2172.8-105.5000112.4Y476 T482 A483 M484 I630 F633Y476-Y480 VanDerWaalsContact O-CB 3.27Å; Y476-Y480 WeakPolarHBondContact O-CB 3.31Å; Y476-Y480 PolarHBondContact O-N 3.41Å; Y480-T482 VanDerWaalsContact C-N 3.34Å; Y480-T482 PolarHBondContact O-N 3.24Å; Y480-A483 PolarHBondContact O-N 2.66Å; Y480-M484 HydrophobicContact CD2-CE 4.15Å; Y480-M484 HydrophobicContact CD2-CG 4.32Å; Y480-M484 HydrophobicContact CE1-CG 4.27Å; Y480-M484 HydrophobicContact CE2-CE 3.25Å; Y480-M484 HydrophobicContact CE2-CG 3.98Å; Y480-M484 HydrophobicContact CE2-SD 4.42Å; Y480-M484 WeakPolarHBondContact O-CB 3.36Å; Y480-M484 VanDerWaalsContact O-CG 3.24Å; Y480-M484 WeakPolarHBondContact O-CG 3.29Å; Y480-M484 PolarHBondContact O-N 2.86Å; Y480-I630 HydrophobicContact CE2-CG1 3.96Å; Y480-F633 HydrophobicContact CD2-CB 3.74Å; Y480-F633 HydrophobicContact CD2-CD1 4.16Å; Y480-F633 AromaticContact CD2-CG 3.97Å; Y480-F633 HydrophobicContact CD2-CG 3.97Å; Y480-F633 HydrophobicContact CE2-CB 4.36Å; Y480-F633 HydrophobicContact CE2-CD1 4.38Å; Y480-F633 HydrophobicContact CG-CB 4.25Å; Y480-F633 HydrophobicContact CG-CD1 4.2Å; Y480-F633 HydrophobicContact CG-CD2 4.37Å; Y480-F633 HydrophobicContact CG-CG 4.03Å
481A98.5Very high98.1Very high1 Ų141.6 Ų41.61%0.00822%0.217CC..Hα-helixtrans-63.5-41179.100000111.6L477 N478 M484 V485 I535L477-A481 WeakPolarHBondContact O-CB 3.33Å; L477-A481 PolarHBondContact O-N 3.06Å; N478-A481 PolarHBondContact O-N 2.83Å; A481-M484 PolarHBondContact O-N 3.24Å; A481-V485 WeakPolarHBondContact O-CB 3.3Å; A481-V485 VanDerWaalsContact O-CG2 3.23Å; A481-V485 WeakPolarHBondContact O-CG2 3.16Å; A481-V485 PolarHBondContact O-N 3.19Å; A481-I535 HydrophobicContact CB-CB 4.3Å; A481-I535 HydrophobicContact CB-CG2 3.94Å
482T98.6Very high98Very high42 Ų4242.9 Ų42.926%0.25822%0.224SC..Hα-helixtrans-62.2-50.3176.8-58.10000110.5N478 E479 Y480 M484 V485 D486N478-T482 VanDerWaalsContact O-CB 3.23Å; N478-T482 WeakPolarHBondContact O-CB 3.33Å; N478-T482 PolarHBondContact O-N 3.02Å; N478-T482 PolarHBondContact O-OG1 3.34Å; E479-T482 PolarHBondContact O-N 3.28Å; Y480-T482 VanDerWaalsContact C-N 3.34Å; Y480-T482 PolarHBondContact O-N 3.24Å; T482-M484 VanDerWaalsContact C-N 3.29Å; T482-M484 PolarHBondContact O-N 3.44Å; T482-V485 PolarHBondContact O-N 3.48Å; T482-V485 VanDerWaalsContact O-N 3.16Å; T482-D486 WeakPolarHBondContact CG2-OD2 3.34Å; T482-D486 WeakPolarHBondContact O-CB 3.49Å; T482-D486 PolarHBondContact O-N 2.98Å
483A98.1Very high98Very high33 Ų3341.6 Ų41.627%0.27322%0.224SC..Hα-helixtrans-58.6-40.7177.700000112.6E479 Y480 Y487 M629E479-A483 WeakPolarHBondContact O-CB 3.26Å; E479-A483 PolarHBondContact O-N 3.43Å; Y480-A483 PolarHBondContact O-N 2.66Å; A483-Y487 WeakPolarHBondContact O-CB 3.5Å; A483-Y487 PolarHBondContact O-N 3.48Å; A483-M629 HydrophobicContact CB-CE 4.34Å; A483-M629 HydrophobicContact CB-CG 4.4Å; A483-M629 HydrophobicContact CB-SD 4Å
484M97.3Very high97.9Very high2 Ų243.2 Ų43.21%0.0123%0.233CC..Hα-helixtrans-64.9-44.6176-73.8-71.3169.200112.2V395 Y480 A481 T482 Y488 L626 M629 I630V395-M484 HydrophobicContact CG2-CB 4.27Å; V395-M484 HydrophobicContact CG2-CG 4.44Å; V395-M484 HydrophobicContact CG2-SD 4.44Å; Y480-M484 HydrophobicContact CD2-CE 4.15Å; Y480-M484 HydrophobicContact CD2-CG 4.32Å; Y480-M484 HydrophobicContact CE1-CG 4.27Å; Y480-M484 HydrophobicContact CE2-CE 3.25Å; Y480-M484 HydrophobicContact CE2-CG 3.98Å; Y480-M484 HydrophobicContact CE2-SD 4.42Å; Y480-M484 WeakPolarHBondContact O-CB 3.36Å; Y480-M484 VanDerWaalsContact O-CG 3.24Å; Y480-M484 WeakPolarHBondContact O-CG 3.29Å; Y480-M484 PolarHBondContact O-N 2.86Å; A481-M484 PolarHBondContact O-N 3.24Å; T482-M484 VanDerWaalsContact C-N 3.29Å; T482-M484 PolarHBondContact O-N 3.44Å; M484-Y488 VanDerWaalsContact O-CD2 3.3Å; M484-Y488 WeakPolarHBondContact O-CD2 3.22Å; M484-L626 HydrophobicContact CE-CB 4.21Å; M484-L626 HydrophobicContact CE-CD2 4.36Å; M484-L626 HydrophobicContact SD-CB 4.41Å; M484-L626 HydrophobicContact SD-CD2 3.73Å; M484-L626 HydrophobicContact SD-CG 4.47Å; M484-M629 HydrophobicContact CE-CB 3.87Å; M484-M629 HydrophobicContact CE-SD 4.36Å; M484-M629 HydrophobicContact SD-SD 4.46Å; M484-I630 HydrophobicContact CE-CD1 4.37Å; M484-I630 HydrophobicContact CE-CG1 3.82Å
485V98.1Very high97.8Very high2 Ų242.7 Ų42.71%0.01223%0.231CC..Hα-helixtrans-69.6-46.8-180177.20000110.7L392 A481 T482 Y487 Y488 Y489 I528 V531 A532 I535L392-V485 HydrophobicContact CD2-CG2 4.35Å; A481-V485 WeakPolarHBondContact O-CB 3.3Å; A481-V485 VanDerWaalsContact O-CG2 3.23Å; A481-V485 WeakPolarHBondContact O-CG2 3.16Å; A481-V485 PolarHBondContact O-N 3.19Å; T482-V485 PolarHBondContact O-N 3.48Å; T482-V485 VanDerWaalsContact O-N 3.16Å; V485-Y487 PolarHBondContact O-N 3.26Å; V485-Y488 PolarHBondContact O-N 3.03Å; V485-Y489 HydrophobicContact CG1-CD2 3.73Å; V485-Y489 HydrophobicContact CG1-CE2 4.45Å; V485-Y489 HydrophobicContact CG1-CG 4.32Å; V485-Y489 WeakPolarHBondContact O-CD2 3.39Å; V485-Y489 PolarHBondContact O-N 2.8Å; V485-I528 HydrophobicContact CB-CG2 4.43Å; V485-I528 HydrophobicContact CG1-CG2 3.65Å; V485-V531 HydrophobicContact CG1-CB 4.24Å; V485-V531 HydrophobicContact CG1-CG1 4.06Å; V485-V531 HydrophobicContact CG2-CG1 3.94Å; V485-A532 HydrophobicContact CG2-CB 4.38Å; V485-I535 HydrophobicContact CG2-CD1 3.56Å
486D97.3Very high97.8Very high82 Ų8243.6 Ų43.644%0.43923%0.234SC..Hα-helixtrans-57.9-34.5179.2-76.9-15000112.5T482 Y488 I528T482-D486 WeakPolarHBondContact CG2-OD2 3.34Å; T482-D486 WeakPolarHBondContact O-CB 3.49Å; T482-D486 PolarHBondContact O-N 2.98Å; D486-Y488 PolarHBondContact O-N 2.95Å; D486-I528 WeakPolarHBondContact OD1-CG2 3.4Å
487Y97.3Very high97.7Very high96 Ų9647.8 Ų47.838%0.37625%0.253SS..Hα-helixtrans-61.3-34.7176.4-176-94.2000112.7A483 V485 E623 A625 L626 M629A483-Y487 WeakPolarHBondContact O-CB 3.5Å; A483-Y487 PolarHBondContact O-N 3.48Å; V485-Y487 PolarHBondContact O-N 3.26Å; Y487-E623 HydrophobicContact CE1-CB 4.46Å; Y487-E623 HydrophobicContact CE1-CG 4.18Å; Y487-A625 HydrophobicContact CD2-CB 4.28Å; Y487-A625 HydrophobicContact CE2-CB 3.7Å; Y487-L626 HydrophobicContact CD1-CD1 4.14Å; Y487-L626 HydrophobicContact CD1-CD2 3.63Å; Y487-L626 HydrophobicContact CD1-CG 4.13Å; Y487-L626 HydrophobicContact CD2-CD2 4.12Å; Y487-L626 HydrophobicContact CE1-CD1 4.11Å; Y487-L626 HydrophobicContact CE1-CD2 4.12Å; Y487-L626 HydrophobicContact CE1-CG 4.14Å; Y487-L626 HydrophobicContact CG-CD2 3.62Å; Y487-L626 HydrophobicContact CG-CG 4.49Å; Y487-M629 HydrophobicContact CD2-CE 4.25Å
488Y96.3Very high97.7Very high22 Ų2247.8 Ų47.89%0.08625%0.253CS..Hα-helixtrans-101.4-24.7-176.4-70.5-72.2000114K120 P391 M484 V485 D486 F621 E623 L626K120-Y488 WeakPolarHBondContact CE-O 3.35Å; K120-Y488 PolarHBondContact NZ-O 3.41Å; P391-Y488 HydrophobicContact CB-CD1 3.88Å; P391-Y488 HydrophobicContact CB-CD2 3.46Å; P391-Y488 VanDerWaalsContact CB-CD2 3.46Å; P391-Y488 HydrophobicContact CB-CE1 3.99Å; P391-Y488 HydrophobicContact CB-CE2 3.56Å; P391-Y488 HydrophobicContact CB-CG 3.59Å; P391-Y488 HydrophobicContact CG-CD1 3.43Å; P391-Y488 VanDerWaalsContact CG-CD1 3.43Å; P391-Y488 HydrophobicContact CG-CD2 4.01Å; P391-Y488 HydrophobicContact CG-CE1 3.64Å; P391-Y488 HydrophobicContact CG-CE2 4.18Å; P391-Y488 HydrophobicContact CG-CG 3.61Å; M484-Y488 VanDerWaalsContact O-CD2 3.3Å; M484-Y488 WeakPolarHBondContact O-CD2 3.22Å; V485-Y488 PolarHBondContact O-N 3.03Å; D486-Y488 PolarHBondContact O-N 2.95Å; Y488-F621 HydrophobicContact CE2-CE1 4.21Å; Y488-F621 WeakPolarHBondContact OH-CD1 3.48Å; Y488-F621 WeakPolarHBondContact OH-CE1 3.48Å; Y488-E623 PolarHBondContact OH-OE1 3.09Å; Y488-L626 HydrophobicContact CE2-CD1 3.6Å; Y488-L626 HydrophobicContact CE2-CD2 4.42Å; Y488-L626 WeakPolarHBondContact OH-CD1 3.49Å
489Y97.1Very high97.6Very high2 Ų250.1 Ų50.11%0.00826%0.264CS..  trans-116.6113.1-178.5-65.9-91.4000109.6K120 V485 D494 V495 D498 L501 I528K120-Y489 HydrophobicContact CD-CD1 4.18Å; K120-Y489 HydrophobicContact CD-CE1 3.83Å; K120-Y489 HydrophobicContact CD-CE2 4.46Å; V485-Y489 HydrophobicContact CG1-CD2 3.73Å; V485-Y489 HydrophobicContact CG1-CE2 4.45Å; V485-Y489 HydrophobicContact CG1-CG 4.32Å; V485-Y489 WeakPolarHBondContact O-CD2 3.39Å; V485-Y489 PolarHBondContact O-N 2.8Å; Y489-D494 HydrophobicContact CD1-CB 3.79Å; Y489-V495 HydrophobicContact CD1-CB 4.36Å; Y489-V495 HydrophobicContact CD1-CG2 3.55Å; Y489-V495 HydrophobicContact CE1-CG2 4.13Å; Y489-V495 HydrophobicContact CG-CG2 3.97Å; Y489-D498 HydrophobicContact CE1-CB 4.12Å; Y489-D498 PolarHBondContact OH-OD2 3Å; Y489-L501 HydrophobicContact CE1-CD2 4.16Å; Y489-I528 VanDerWaalsContact O-CD1 3.29Å; Y489-I528 WeakPolarHBondContact O-CD1 3.49Å
490T95.4Very high97.6Very high119 Ų11944.7 Ų44.773%0.7324%0.239SC*.SBendtrans-94.4-10.2-175.361.10000113.1D494T490-D494 PolarHBondContact N-OD2 2.91Å; T490-D494 PolarHBondContact OG1-OD2 3.22Å
491S97.3Very high97.6Very high46 Ų4644.2 Ų44.232%0.32224%0.237SC..SBendtrans-157.3159174.668.10000111.2C493 D494S491-C493 PolarHBondContact O-N 3.45Å; S491-C493 VanDerWaalsContact O-N 3.14Å; S491-C493 WeakPolarHBondContact OG-CB 3.37Å; S491-C493 PolarHBondContact OG-N 2.92Å; S491-D494 VanDerWaalsContact O-CB 3.29Å; S491-D494 WeakPolarHBondContact O-CB 3.46Å; S491-D494 PolarHBondContact O-N 3.03Å; S491-D494 PolarHBondContact OG-N 3.37Å
492D98.4Very high97.7Very high72 Ų7245.7 Ų45.739%0.38524%0.244SC..Hα-helixtrans-55.3-28.5169.8-68.8-15.3000112.5D494 V495 M496 N526 T527 I528D492-D494 VanDerWaalsContact C-N 3.29Å; D492-D494 PolarHBondContact O-N 3.44Å; D492-V495 WeakPolarHBondContact O-CB 3.42Å; D492-V495 PolarHBondContact O-N 3.06Å; D492-M496 PolarHBondContact O-N 2.9Å; D492-N526 WeakPolarHBondContact CB-O 3.47Å; D492-T527 WeakPolarHBondContact OD1-CA 3.32Å; D492-T527 WeakPolarHBondContact OD1-CB 3.36Å; D492-I528 PolarHBondContact OD1-N 2.65Å
493C97.6Very high97.7Very high50 Ų5047.1 Ų47.134%0.33825%0.248SC..Hα-helixtrans-64.6-33.5174.5-165.10000112.6S491 V495 M496 K497S491-C493 PolarHBondContact O-N 3.45Å; S491-C493 VanDerWaalsContact O-N 3.14Å; S491-C493 WeakPolarHBondContact OG-CB 3.37Å; S491-C493 PolarHBondContact OG-N 2.92Å; C493-V495 VanDerWaalsContact C-N 3.33Å; C493-M496 HydrophobicContact CB-CE 4.47Å; C493-K497 WeakPolarHBondContact O-CB 3.1Å; C493-K497 WeakPolarHBondContact O-CD 3.2Å; C493-K497 VanDerWaalsContact O-CG 3.24Å; C493-K497 WeakPolarHBondContact O-CG 3.47Å; C493-K497 PolarHBondContact O-N 3.33Å; C493-K497 WeakPolarHBondContact SG-CE 3.45Å; C493-K497 PolarHBondContact SG-NZ 3.38Å
494D96.7Very high97.7Very high36 Ų3645.6 Ų45.619%0.19324%0.235CC..Hα-helixtrans-65.9-39.3174.5-67.7-16.2000110.9K120 Y489 T490 S491 D492 K497 D498K120-D494 IonicContact NZ-OD2 2.71Å; K120-D494 PolarHBondContact NZ-OD2 2.99Å; Y489-D494 HydrophobicContact CD1-CB 3.79Å; T490-D494 PolarHBondContact N-OD2 2.91Å; T490-D494 PolarHBondContact OG1-OD2 3.22Å; S491-D494 VanDerWaalsContact O-CB 3.29Å; S491-D494 WeakPolarHBondContact O-CB 3.46Å; S491-D494 PolarHBondContact O-N 3.03Å; S491-D494 PolarHBondContact OG-N 3.37Å; D492-D494 VanDerWaalsContact C-N 3.29Å; D492-D494 PolarHBondContact O-N 3.44Å; D494-K497 PolarHBondContact O-N 3.11Å; D494-D498 PolarHBondContact O-N 2.91Å
495V98.1Very high97.8Very high0 Ų045.5 Ų45.50%024%0.235CC..Hα-helixtrans-64.2-50.8178171.20000110.6Y489 D492 C493 K497 D498 L501 Q502 F525 I528 V531Y489-V495 HydrophobicContact CD1-CB 4.36Å; Y489-V495 HydrophobicContact CD1-CG2 3.55Å; Y489-V495 HydrophobicContact CE1-CG2 4.13Å; Y489-V495 HydrophobicContact CG-CG2 3.97Å; D492-V495 WeakPolarHBondContact O-CB 3.42Å; D492-V495 PolarHBondContact O-N 3.06Å; C493-V495 VanDerWaalsContact C-N 3.33Å; V495-K497 PolarHBondContact O-N 3.03Å; V495-D498 PolarHBondContact O-N 3.02Å; V495-L501 HydrophobicContact CG1-CD2 3.95Å; V495-Q502 PolarHBondContact O-NE2 3.31Å; V495-F525 HydrophobicContact CG1-CB 3.64Å; V495-I528 HydrophobicContact CG2-CG1 3.76Å; V495-V531 HydrophobicContact CG1-CG2 3.66Å; V495-V531 HydrophobicContact CG2-CG2 4.21Å
496M98.2Very high97.8Very high98 Ų9848.7 Ų48.748%0.48325%0.251SS..Hα-helixtrans-60.8-30.5-179.4-73.1-174.9-75.900113.3D492 C493 N526D492-M496 PolarHBondContact O-N 2.9Å; C493-M496 HydrophobicContact CB-CE 4.47Å; M496-N526 HydrophobicContact CG-CB 4.46Å
497K97.6Very high97.9Very high118 Ų11845.4 Ų45.451%0.51323%0.234SC..Hα-helixtrans-89.7-9.6-178.4-65.1170.2172.7162.70113.7L122 C493 D494 V495 I499L122-K497 HydrophobicContact CD1-CB 3.54Å; L122-K497 HydrophobicContact CD1-CD 4.25Å; C493-K497 WeakPolarHBondContact O-CB 3.1Å; C493-K497 WeakPolarHBondContact O-CD 3.2Å; C493-K497 VanDerWaalsContact O-CG 3.24Å; C493-K497 WeakPolarHBondContact O-CG 3.47Å; C493-K497 PolarHBondContact O-N 3.33Å; C493-K497 WeakPolarHBondContact SG-CE 3.45Å; C493-K497 PolarHBondContact SG-NZ 3.38Å; D494-K497 PolarHBondContact O-N 3.11Å; V495-K497 PolarHBondContact O-N 3.03Å; K497-I499 PolarHBondContact O-N 3.47Å; K497-I499 VanDerWaalsContact O-N 3.08Å
498D98.1Very high98Very high2 Ų240.9 Ų40.91%0.01122%0.216CC..  trans-79.691.3178.3-163.9-43.2000110.9H390 Y489 D494 V495 E500 L501 Q502H390-D498 IonicContact NE2-OD1 3.09Å; H390-D498 IonicContact NE2-OD2 3.26Å; Y489-D498 HydrophobicContact CE1-CB 4.12Å; Y489-D498 PolarHBondContact OH-OD2 3Å; D494-D498 PolarHBondContact O-N 2.91Å; V495-D498 PolarHBondContact O-N 3.02Å; D498-E500 PolarHBondContact O-N 3.49Å; D498-E500 PolarHBondContact OD1-N 3.31Å; D498-E500 VanDerWaalsContact OD1-N 3.12Å; D498-L501 HydrophobicContact CB-CB 3.9Å; D498-L501 HydrophobicContact CB-CD2 4.45Å; D498-L501 WeakPolarHBondContact O-CB 3.45Å; D498-L501 PolarHBondContact O-N 3.11Å; D498-L501 PolarHBondContact OD1-N 3.44Å; D498-L501 VanDerWaalsContact OD1-N 3.1Å; D498-Q502 VanDerWaalsContact O-CG 3.3Å; D498-Q502 WeakPolarHBondContact O-CG 3.43Å; D498-Q502 PolarHBondContact O-N 2.94Å
499I97.6Very high98.1Very high98 Ų9840.6 Ų40.650%0.50322%0.215SC..Hα-helixtrans-60.8-26.8-176.563.7175.1000113.8F121 K497 E503F121-I499 HydrophobicContact CD1-CD1 4.16Å; F121-I499 HydrophobicContact CD1-CG1 4.37Å; F121-I499 HydrophobicContact CE1-CD1 4.13Å; F121-I499 HydrophobicContact CG-CD1 4.45Å; F121-I499 HydrophobicContact CZ-CD1 4.4Å; K497-I499 PolarHBondContact O-N 3.47Å; K497-I499 VanDerWaalsContact O-N 3.08Å; I499-E503 WeakPolarHBondContact O-CB 3.34Å; I499-E503 PolarHBondContact O-N 2.78Å
500E98.6Very high98.2Very high7 Ų741.9 Ų41.93%0.03322%0.223CC..Hα-helixtrans-78.5-39.8-178.9-66.4175171.400110.2R133 L137 L386 P387 H390 D498 E503 W504R133-E500 WeakPolarHBondContact CD-OE1 3.29Å; R133-E500 IonicContact CZ-OE1 3.92Å; R133-E500 IonicContact CZ-OE2 2.74Å; R133-E500 VanDerWaalsContact CZ-OE2 3.26Å; R133-E500 VanDerWaalsContact NE-CD 3.3Å; R133-E500 IonicContact NE-OE1 2.66Å; R133-E500 PolarHBondContact NE-OE1 3.34Å; R133-E500 IonicContact NE-OE2 2.71Å; R133-E500 PolarHBondContact NE-OE2 3.43Å; R133-E500 VanDerWaalsContact NE-OE2 3.09Å; R133-E500 IonicContact NH2-OE1 3.78Å; R133-E500 IonicContact NH2-OE2 2.64Å; R133-E500 PolarHBondContact NH2-OE2 2.84Å; L137-E500 HydrophobicContact CD1-CG 4.4Å; L137-E500 WeakPolarHBondContact CD1-OE1 3.22Å; L386-E500 HydrophobicContact CD2-CB 4.3Å; P387-E500 VanDerWaalsContact CD-OE2 3.24Å; P387-E500 WeakPolarHBondContact CD-OE2 3.48Å; P387-E500 WeakPolarHBondContact CG-OE2 3.46Å; H390-E500 IonicContact CD2-OE2 2.73Å; H390-E500 PolarHBondContact CD2-OE2 3.14Å; D498-E500 PolarHBondContact O-N 3.49Å; D498-E500 PolarHBondContact OD1-N 3.31Å; D498-E500 VanDerWaalsContact OD1-N 3.12Å; E500-E503 PolarHBondContact O-N 2.99Å; E500-W504 VanDerWaalsContact O-CB 3.32Å; E500-W504 WeakPolarHBondContact O-CB 3.15Å; E500-W504 PolarHBondContact O-N 3.31Å
501L98.7Very high98.3Very high0 Ų038.1 Ų38.10%020%0.197CC..Hα-helixtrans-61.1-46.1169.8171.461.5000112L392 Y489 V495 D498 W504 V505 F525 V531L392-L501 HydrophobicContact CD1-CD1 3.68Å; Y489-L501 HydrophobicContact CE1-CD2 4.16Å; V495-L501 HydrophobicContact CG1-CD2 3.95Å; D498-L501 HydrophobicContact CB-CB 3.9Å; D498-L501 HydrophobicContact CB-CD2 4.45Å; D498-L501 WeakPolarHBondContact O-CB 3.45Å; D498-L501 PolarHBondContact O-N 3.11Å; D498-L501 PolarHBondContact OD1-N 3.44Å; D498-L501 VanDerWaalsContact OD1-N 3.1Å; L501-W504 HydrophobicContact CD1-CE3 3.94Å; L501-W504 HydrophobicContact CD1-CZ3 4.31Å; L501-W504 WeakPolarHBondContact O-CB 3.38Å; L501-W504 PolarHBondContact O-N 2.97Å; L501-V505 PolarHBondContact O-N 3.39Å; L501-V505 VanDerWaalsContact O-N 3.15Å; L501-F525 HydrophobicContact CD1-CD2 3.66Å; L501-F525 HydrophobicContact CD1-CE2 3.8Å; L501-F525 HydrophobicContact CD2-CD2 4.31Å; L501-F525 HydrophobicContact CG-CD2 3.9Å; L501-V531 HydrophobicContact CD1-CG1 4.38Å; L501-V531 HydrophobicContact CD2-CG1 4.48Å; L501-V531 HydrophobicContact CD2-CG2 3.85Å
502Q98.8Very high98.3Very high32 Ų3235.9 Ų35.915%0.1518%0.182CC..Hα-helixtrans-64.7-40.8179.1-61.4-53.1-38.300111.7V495 D498 V505 N506 C524 F525V495-Q502 PolarHBondContact O-NE2 3.31Å; D498-Q502 VanDerWaalsContact O-CG 3.3Å; D498-Q502 WeakPolarHBondContact O-CG 3.43Å; D498-Q502 PolarHBondContact O-N 2.94Å; Q502-V505 WeakPolarHBondContact O-CG1 3.41Å; Q502-N506 VanDerWaalsContact O-CB 3.3Å; Q502-N506 WeakPolarHBondContact O-CB 3.39Å; Q502-N506 PolarHBondContact O-N 3.12Å; Q502-N506 VanDerWaalsContact O-N 3.12Å; Q502-C524 VanDerWaalsContact OE1-CA 3.3Å; Q502-F525 PolarHBondContact NE2-O 3.47Å; Q502-F525 PolarHBondContact OE1-O 2.61Å
503E98.7Very high98.3Very high73 Ų7332.7 Ų32.734%0.34116%0.164SC..Hα-helixtrans-65.2-39.8175.3-172.1174-160.700111.6K141 I499 E500 N506 E507K141-E503 IonicContact NZ-OE1 3.22Å; K141-E503 PolarHBondContact NZ-OE1 3.23Å; K141-E503 IonicContact NZ-OE2 3.43Å; K141-E503 PolarHBondContact NZ-OE2 3.5Å; I499-E503 WeakPolarHBondContact O-CB 3.34Å; I499-E503 PolarHBondContact O-N 2.78Å; E500-E503 PolarHBondContact O-N 2.99Å; E503-N506 PolarHBondContact O-N 3.41Å; E503-E507 PolarHBondContact O-N 3.14Å
504W98.9Very high98.4Very high0 Ų033 Ų330%016%0.162CC..Hα-helixtrans-59-51.6178.5174.272.8000112.8A381 T382 C385 L386 L396 E500 L501 N506 E507 I508 F525 F534A381-W504 VanDerWaalsContact C-CD1 3.48Å; T382-W504 PolarHBondContact OG1-NE1 3.1Å; C385-W504 HydrophobicContact CB-CB 3.7Å; C385-W504 HydrophobicContact CB-CG 4.42Å; L386-W504 HydrophobicContact CD1-CD2 4.38Å; L386-W504 HydrophobicContact CD1-CG 4.18Å; L386-W504 HydrophobicContact CD2-CB 4.02Å; L386-W504 HydrophobicContact CD2-CG 4.33Å; L386-W504 HydrophobicContact CG-CB 4.3Å; L386-W504 HydrophobicContact CG-CG 4.16Å; L396-W504 HydrophobicContact CD1-CH2 4.05Å; L396-W504 HydrophobicContact CD1-CZ2 3.52Å; E500-W504 VanDerWaalsContact O-CB 3.32Å; E500-W504 WeakPolarHBondContact O-CB 3.15Å; E500-W504 PolarHBondContact O-N 3.31Å; L501-W504 HydrophobicContact CD1-CE3 3.94Å; L501-W504 HydrophobicContact CD1-CZ3 4.31Å; L501-W504 WeakPolarHBondContact O-CB 3.38Å; L501-W504 PolarHBondContact O-N 2.97Å; W504-N506 VanDerWaalsContact C-N 3.33Å; W504-N506 PolarHBondContact O-N 3.36Å; W504-E507 PolarHBondContact O-N 3.27Å; W504-I508 HydrophobicContact CD2-CD1 3.98Å; W504-I508 HydrophobicContact CE3-CD1 4.49Å; W504-I508 HydrophobicContact CG-CD1 4.47Å; W504-I508 HydrophobicContact CH2-CD1 4.27Å; W504-I508 HydrophobicContact CZ2-CD1 3.69Å; W504-I508 WeakPolarHBondContact O-CG1 3.21Å; W504-I508 PolarHBondContact O-N 3.11Å; W504-I508 VanDerWaalsContact O-N 3.16Å; W504-F525 HydrophobicContact CE3-CE2 4.2Å; W504-F525 AromaticContact CZ3-CE2 3.98Å; W504-F525 HydrophobicContact CZ3-CE2 3.98Å; W504-F525 HydrophobicContact CZ3-CZ 4.41Å; W504-F534 AromaticContact CH2-CD1 3.68Å; W504-F534 HydrophobicContact CH2-CD1 3.68Å; W504-F534 AromaticContact CH2-CE1 3.69Å; W504-F534 HydrophobicContact CH2-CE1 3.69Å; W504-F534 HydrophobicContact CZ2-CE1 4.38Å; W504-F534 AromaticContact CZ3-CD1 3.8Å; W504-F534 HydrophobicContact CZ3-CD1 3.8Å; W504-F534 AromaticContact CZ3-CE1 3.92Å; W504-F534 HydrophobicContact CZ3-CE1 3.92Å
505V98.9Very high98.4Very high1 Ų136.5 Ų36.51%0.00618%0.178CC..Hα-helixtrans-68-35.5179.4690000111.8L501 Q502 I508 F509 P522 F525 F534L501-V505 PolarHBondContact O-N 3.39Å; L501-V505 VanDerWaalsContact O-N 3.15Å; Q502-V505 WeakPolarHBondContact O-CG1 3.41Å; V505-I508 PolarHBondContact O-N 3.32Å; V505-F509 PolarHBondContact O-N 3.08Å; V505-P522 HydrophobicContact CG2-CB 4.24Å; V505-P522 HydrophobicContact CG2-CG 3.94Å; V505-P522 WeakPolarHBondContact CG2-O 3.39Å; V505-F525 HydrophobicContact CB-CD2 3.96Å; V505-F525 HydrophobicContact CB-CE2 3.44Å; V505-F525 VanDerWaalsContact CB-CE2 3.44Å; V505-F525 HydrophobicContact CB-CZ 3.86Å; V505-F525 HydrophobicContact CG1-CD2 3.8Å; V505-F525 HydrophobicContact CG1-CE2 3.84Å; V505-F525 HydrophobicContact CG1-CG 4.43Å; V505-F525 HydrophobicContact CG1-CZ 4.46Å; V505-F525 HydrophobicContact CG2-CD2 4.27Å; V505-F525 HydrophobicContact CG2-CE1 4.02Å; V505-F525 HydrophobicContact CG2-CE2 3.58Å; V505-F525 HydrophobicContact CG2-CZ 3.42Å; V505-F525 VanDerWaalsContact CG2-CZ 3.42Å; V505-F534 HydrophobicContact CG2-CE2 4.41Å; V505-F534 HydrophobicContact CG2-CZ 4.25Å
506N98.9Very high98.4Very high68 Ų6838.3 Ų38.336%0.36419%0.187SC..Hα-helixtrans-66-41.7175.9-173.278.9000112Q502 E503 W504 I508 F509 T510 S523Q502-N506 VanDerWaalsContact O-CB 3.3Å; Q502-N506 WeakPolarHBondContact O-CB 3.39Å; Q502-N506 PolarHBondContact O-N 3.12Å; Q502-N506 VanDerWaalsContact O-N 3.12Å; E503-N506 PolarHBondContact O-N 3.41Å; W504-N506 VanDerWaalsContact C-N 3.33Å; W504-N506 PolarHBondContact O-N 3.36Å; N506-I508 VanDerWaalsContact C-N 3.3Å; N506-I508 PolarHBondContact O-N 2.86Å; N506-F509 PolarHBondContact O-N 2.74Å; N506-T510 WeakPolarHBondContact O-CB 3.35Å; N506-T510 PolarHBondContact O-N 3.33Å; N506-T510 PolarHBondContact O-OG1 3.29Å; N506-S523 WeakPolarHBondContact CB-O 3.23Å
507E98.7Very high98.3Very high14 Ų1442.2 Ų42.27%0.06520%0.202CC..Hα-helixtrans-60.6-40174.1-84.1-151.4-169.800111.6W146 A381 R384 E503 W504 T510 H511W146-E507 PolarHBondContact NE1-OE2 3.39Å; A381-E507 HydrophobicContact CB-CB 4.27Å; R384-E507 WeakPolarHBondContact CD-OE2 3.38Å; R384-E507 IonicContact CZ-OE1 3.22Å; R384-E507 IonicContact CZ-OE2 3.68Å; R384-E507 IonicContact NE-OE1 3.57Å; R384-E507 PolarHBondContact NE-OE1 3.07Å; R384-E507 VanDerWaalsContact NE-OE1 3.12Å; R384-E507 IonicContact NE-OE2 2.74Å; R384-E507 PolarHBondContact NE-OE2 3.23Å; R384-E507 IonicContact NH2-OE1 2.76Å; R384-E507 PolarHBondContact NH2-OE1 3.31Å; R384-E507 IonicContact NH2-OE2 2.71Å; E503-E507 PolarHBondContact O-N 3.14Å; W504-E507 PolarHBondContact O-N 3.27Å; E507-T510 PolarHBondContact O-N 3.41Å; E507-H511 WeakPolarHBondContact O-CB 3.42Å; E507-H511 PolarHBondContact O-CD2 3.2Å; E507-H511 PolarHBondContact O-N 2.81Å
508I98.9Very high98.3Very high1 Ų147.6 Ų47.61%0.00522%0.219CC..Hα-helixtrans-63-45.6175.1-67167.8000110.8V377 F378 A381 W504 V505 N506 G512 F513 F534V377-I508 HydrophobicContact CG1-CB 4.36Å; V377-I508 HydrophobicContact CG1-CG1 4.29Å; V377-I508 HydrophobicContact CG1-CG2 4.03Å; F378-I508 HydrophobicContact CD1-CD1 3.98Å; F378-I508 HydrophobicContact CD1-CG1 4.29Å; F378-I508 HydrophobicContact CD1-CG2 4.06Å; F378-I508 HydrophobicContact CE1-CG2 3.87Å; A381-I508 HydrophobicContact CB-CD1 4.15Å; A381-I508 HydrophobicContact CB-CG1 3.5Å; A381-I508 VanDerWaalsContact CB-CG1 3.5Å; W504-I508 HydrophobicContact CD2-CD1 3.98Å; W504-I508 HydrophobicContact CE3-CD1 4.49Å; W504-I508 HydrophobicContact CG-CD1 4.47Å; W504-I508 HydrophobicContact CH2-CD1 4.27Å; W504-I508 HydrophobicContact CZ2-CD1 3.69Å; W504-I508 WeakPolarHBondContact O-CG1 3.21Å; W504-I508 PolarHBondContact O-N 3.11Å; W504-I508 VanDerWaalsContact O-N 3.16Å; V505-I508 PolarHBondContact O-N 3.32Å; N506-I508 VanDerWaalsContact C-N 3.3Å; N506-I508 PolarHBondContact O-N 2.86Å; I508-G512 VanDerWaalsContact O-CA 3.23Å; I508-G512 WeakPolarHBondContact O-CA 3.47Å; I508-G512 PolarHBondContact O-N 2.88Å; I508-F513 HydrophobicContact CG2-CD2 4.13Å; I508-F513 HydrophobicContact CG2-CE2 3.74Å; I508-F513 PolarHBondContact O-N 3.45Å; I508-F534 HydrophobicContact CD1-CE1 3.94Å; I508-F534 HydrophobicContact CD1-CZ 4.22Å; I508-F534 HydrophobicContact CG2-CZ 4.08Å
509F98.9Very high98.2Very high16 Ų1647.7 Ų47.77%0.0722%0.219CC..Hα-helixtrans-61.9-45.5177.6178.3-115.2000112.3V505 N506 F513 L514 E515 K517 F521V505-F509 PolarHBondContact O-N 3.08Å; N506-F509 PolarHBondContact O-N 2.74Å; F509-F513 HydrophobicContact CD2-CB 4.36Å; F509-F513 CarbonylContact O-C 3.56Å; F509-F513 WeakPolarHBondContact O-CA 3.43Å; F509-F513 PolarHBondContact O-N 2.84Å; F509-L514 PolarHBondContact O-N 3.25Å; F509-L514 VanDerWaalsContact O-N 3.14Å; F509-E515 HydrophobicContact CD1-CB 4.46Å; F509-E515 HydrophobicContact CD1-CG 4.4Å; F509-E515 VanDerWaalsContact CE1-CA 3.48Å; F509-E515 HydrophobicContact CE1-CB 3.88Å; F509-E515 HydrophobicContact CE1-CG 4.26Å; F509-E515 VanDerWaalsContact CZ-CA 3.44Å; F509-E515 HydrophobicContact CZ-CB 4.25Å; F509-E515 WeakPolarHBondContact CZ-O 3.23Å; F509-E515 PolarHBondContact O-N 3.24Å; F509-E515 VanDerWaalsContact O-N 3.09Å; F509-K517 HydrophobicContact CZ-CG 4.19Å; F509-F521 HydrophobicContact CD2-CB 3.94Å; F509-F521 HydrophobicContact CE2-CB 4.44Å
510T98.6Very high98.2Very high29 Ų2945.5 Ų45.518%0.17822%0.221CC..Hα-helixtrans-70.1-44-178.5-64.90000112.4N506 E507 L514 E515N506-T510 WeakPolarHBondContact O-CB 3.35Å; N506-T510 PolarHBondContact O-N 3.33Å; N506-T510 PolarHBondContact O-OG1 3.29Å; E507-T510 PolarHBondContact O-N 3.41Å; T510-L514 VanDerWaalsContact O-CA 3.28Å; T510-L514 WeakPolarHBondContact O-CA 3.28Å; T510-L514 PolarHBondContact O-N 2.99Å; T510-E515 HydrophobicContact CG2-CG 4.06Å; T510-E515 PolarHBondContact OG1-OE1 3.4Å; T510-E515 VanDerWaalsContact OG1-OE1 3.05Å
511H98.6Very high98.2Very high39 Ų3945.7 Ų45.718%0.18122%0.222CC..Hα-helixtrans-98.7-28.6-171.7-65.8-50.5000114.2W146 H155 E507W146-H511 AromaticContact CD1-CD2 3.39Å; W146-H511 AromaticContact CD1-CG 3.95Å; W146-H511 AromaticContact CD1-NE2 3.43Å; W146-H511 HydrophobicContact CD2-CB 3.83Å; W146-H511 AromaticContact CD2-CD2 3.82Å; W146-H511 AromaticContact CD2-CG 3.75Å; W146-H511 AromaticContact CE2-CD2 3.37Å; W146-H511 AromaticContact CE2-CG 3.69Å; W146-H511 HydrophobicContact CE3-CB 3.9Å; W146-H511 HydrophobicContact CG-CB 4.48Å; W146-H511 AromaticContact CG-CD2 3.83Å; W146-H511 AromaticContact CG-CG 3.92Å; W146-H511 HydrophobicContact CH2-CB 3.85Å; W146-H511 HydrophobicContact CZ2-CB 3.82Å; W146-H511 AromaticContact CZ2-CD2 3.93Å; W146-H511 HydrophobicContact CZ3-CB 3.9Å; W146-H511 AromaticContact NE1-CD2 3.12Å; W146-H511 PolarHBondContact NE1-CD2 3.37Å; W146-H511 AromaticContact NE1-CG 3.84Å; W146-H511 AromaticContact NE1-NE2 3.61Å; H155-H511 HydrophobicContact CB-CB 4.17Å; H155-H511 AromaticContact CE1-ND1 3.5Å; H155-H511 AromaticContact CG-ND1 3.99Å; H155-H511 PolarHBondContact N-O 2.76Å; H155-H511 AromaticContact ND1-CE1 3.85Å; H155-H511 AromaticContact ND1-CG 3.8Å; H155-H511 AromaticContact ND1-ND1 2.95Å; H155-H511 PolarHBondContact ND1-ND1 2.78Å; E507-H511 WeakPolarHBondContact O-CB 3.42Å; E507-H511 PolarHBondContact O-CD2 3.2Å; E507-H511 PolarHBondContact O-N 2.81Å
512G98.1Very high98.2Very high0 Ų047 Ų470%023%0.23CC..Hα-helixtrans-84.5-44.5175.300000113.2I508I508-G512 VanDerWaalsContact O-CA 3.23Å; I508-G512 WeakPolarHBondContact O-CA 3.47Å; I508-G512 PolarHBondContact O-N 2.88Å
513F98.2Very high98.1Very high4 Ų447.9 Ų47.92%0.01824%0.24CC..SBendtrans-112.87.3-172-57.7-77.4000113.4L374 L439 L442 L447 I508 F509 E515 N516 F521L374-F513 HydrophobicContact CD1-CZ 4.39Å; L374-F513 HydrophobicContact CD2-CE1 3.97Å; L374-F513 HydrophobicContact CD2-CZ 3.74Å; L439-F513 HydrophobicContact CD1-CD1 4.38Å; L442-F513 HydrophobicContact CD2-CE1 4.02Å; L447-F513 HydrophobicContact CD1-CZ 4.49Å; I508-F513 HydrophobicContact CG2-CD2 4.13Å; I508-F513 HydrophobicContact CG2-CE2 3.74Å; I508-F513 PolarHBondContact O-N 3.45Å; F509-F513 HydrophobicContact CD2-CB 4.36Å; F509-F513 CarbonylContact O-C 3.56Å; F509-F513 WeakPolarHBondContact O-CA 3.43Å; F509-F513 PolarHBondContact O-N 2.84Å; F513-E515 PolarHBondContact O-N 2.96Å; F513-E515 VanDerWaalsContact O-N 3.13Å; F513-N516 WeakPolarHBondContact O-CB 3.16Å; F513-N516 PolarHBondContact O-N 3.35Å; F513-F521 HydrophobicContact CD1-CD1 4.43Å; F513-F521 AromaticContact CD1-CD2 3.68Å; F513-F521 HydrophobicContact CD1-CD2 3.68Å; F513-F521 HydrophobicContact CD1-CE1 4.43Å; F513-F521 AromaticContact CD1-CE2 3.65Å; F513-F521 HydrophobicContact CD1-CE2 3.65Å; F513-F521 HydrophobicContact CD1-CG 4.08Å; F513-F521 HydrophobicContact CD1-CZ 4.06Å; F513-F521 HydrophobicContact CD2-CB 4.23Å; F513-F521 AromaticContact CD2-CD1 3.69Å; F513-F521 HydrophobicContact CD2-CD1 3.69Å; F513-F521 HydrophobicContact CD2-CD2 4.22Å; F513-F521 HydrophobicContact CD2-CE1 4.14Å; F513-F521 AromaticContact CD2-CG 3.76Å; F513-F521 HydrophobicContact CD2-CG 3.76Å; F513-F521 HydrophobicContact CE1-CD1 4.11Å; F513-F521 AromaticContact CE1-CD2 3.76Å; F513-F521 HydrophobicContact CE1-CD2 3.76Å; F513-F521 AromaticContact CE1-CE1 3.71Å; F513-F521 HydrophobicContact CE1-CE1 3.71Å; F513-F521 AromaticContact CE1-CE2 3.28Å; F513-F521 HydrophobicContact CE1-CE2 3.28Å; F513-F521 HydrophobicContact CE1-CG 4.15Å; F513-F521 AromaticContact CE1-CZ 3.27Å; F513-F521 HydrophobicContact CE1-CZ 3.27Å; F513-F521 AromaticContact CE2-CD1 3.31Å; F513-F521 HydrophobicContact CE2-CD1 3.31Å; F513-F521 HydrophobicContact CE2-CD2 4.29Å; F513-F521 AromaticContact CE2-CE1 3.35Å; F513-F521 HydrophobicContact CE2-CE1 3.35Å; F513-F521 HydrophobicContact CE2-CE2 4.3Å; F513-F521 AromaticContact CE2-CG 3.84Å; F513-F521 HydrophobicContact CE2-CG 3.84Å; F513-F521 AromaticContact CE2-CZ 3.87Å; F513-F521 HydrophobicContact CE2-CZ 3.87Å; F513-F521 HydrophobicContact CG-CB 4.36Å; F513-F521 HydrophobicContact CG-CD1 4.24Å; F513-F521 AromaticContact CG-CD2 3.92Å; F513-F521 HydrophobicContact CG-CD2 3.92Å; F513-F521 HydrophobicContact CG-CE2 4.3Å; F513-F521 AromaticContact CG-CG 3.89Å; F513-F521 HydrophobicContact CG-CG 3.89Å; F513-F521 AromaticContact CZ-CD1 3.57Å; F513-F521 HydrophobicContact CZ-CD1 3.57Å; F513-F521 HydrophobicContact CZ-CD2 4.09Å; F513-F521 AromaticContact CZ-CE1 3.1Å; F513-F521 HydrophobicContact CZ-CE1 3.1Å; F513-F521 AromaticContact CZ-CE2 3.66Å; F513-F521 HydrophobicContact CZ-CE2 3.66Å; F513-F521 HydrophobicContact CZ-CG 4.05Å; F513-F521 AromaticContact CZ-CZ 3.16Å; F513-F521 HydrophobicContact CZ-CZ 3.16Å
514L98.1Very high98.1Very high56 Ų5647 Ų4729%0.29324%0.241SC..THydrogen-bonded Turntrans53.836.1172.6-49.9-177.3000113G152 L439 F509 T510 N516G152-L514 VanDerWaalsContact C-CD1 3.48Å; G152-L514 VanDerWaalsContact CA-CD1 3.49Å; L439-L514 HydrophobicContact CD2-CD1 3.93Å; L439-L514 HydrophobicContact CD2-CG 4.23Å; F509-L514 PolarHBondContact O-N 3.25Å; F509-L514 VanDerWaalsContact O-N 3.14Å; T510-L514 VanDerWaalsContact O-CA 3.28Å; T510-L514 WeakPolarHBondContact O-CA 3.28Å; T510-L514 PolarHBondContact O-N 2.99Å; L514-N516 PolarHBondContact O-N 3.42Å; L514-N516 VanDerWaalsContact O-N 3.11Å
515E98Very high98.1Very high111 Ų11147 Ų4752%0.51924%0.241SC..THydrogen-bonded Turntrans57.823.6-178.1-51.6-176.6147.700114F509 T510 F513 K517F509-E515 HydrophobicContact CD1-CB 4.46Å; F509-E515 HydrophobicContact CD1-CG 4.4Å; F509-E515 VanDerWaalsContact CE1-CA 3.48Å; F509-E515 HydrophobicContact CE1-CB 3.88Å; F509-E515 HydrophobicContact CE1-CG 4.26Å; F509-E515 VanDerWaalsContact CZ-CA 3.44Å; F509-E515 HydrophobicContact CZ-CB 4.25Å; F509-E515 WeakPolarHBondContact CZ-O 3.23Å; F509-E515 PolarHBondContact O-N 3.24Å; F509-E515 VanDerWaalsContact O-N 3.09Å; T510-E515 HydrophobicContact CG2-CG 4.06Å; T510-E515 PolarHBondContact OG1-OE1 3.4Å; T510-E515 VanDerWaalsContact OG1-OE1 3.05Å; F513-E515 PolarHBondContact O-N 2.96Å; F513-E515 VanDerWaalsContact O-N 3.13Å; E515-K517 PolarHBondContact O-N 3.01Å
516N97.5Very high98.1Very high38 Ų3850.6 Ų50.620%0.20326%0.26CS..  trans-70.192-180-177.77.2000110.7S440 F513 L514 R518 S519S440-N516 PolarHBondContact O-ND2 3.32Å; S440-N516 VanDerWaalsContact O-ND2 3.11Å; F513-N516 WeakPolarHBondContact O-CB 3.16Å; F513-N516 PolarHBondContact O-N 3.35Å; L514-N516 PolarHBondContact O-N 3.42Å; L514-N516 VanDerWaalsContact O-N 3.11Å; N516-R518 PolarHBondContact O-N 3.4Å; N516-R518 VanDerWaalsContact O-N 3.07Å; N516-R518 WeakPolarHBondContact OD1-CB 3.48Å; N516-R518 PolarHBondContact OD1-N 3.14Å; N516-R518 VanDerWaalsContact OD1-N 3.15Å; N516-S519 VanDerWaalsContact O-CB 3.23Å; N516-S519 WeakPolarHBondContact O-CB 3.3Å; N516-S519 PolarHBondContact O-N 3.27Å; N516-S519 PolarHBondContact O-OG 2.73Å
517K97Very high98.1Very high180 Ų18049 Ų4978%0.78325%0.253SS*.G310 helixtrans-57.8-24.1179.1-62.9-177.2-179-1790114F509 E515 S519 G520F509-K517 HydrophobicContact CZ-CG 4.19Å; E515-K517 PolarHBondContact O-N 3.01Å; K517-S519 PolarHBondContact O-N 3.19Å; K517-G520 PolarHBondContact O-N 2.91Å
518R96.6Very high98.1Very high230 Ų23049.4 Ų49.487%0.86826%0.255SS*.G310 helixtrans-72.1-19.5177.8-61.8-178.2178.8179.10.5112.8N516 G520N516-R518 PolarHBondContact O-N 3.4Å; N516-R518 VanDerWaalsContact O-N 3.07Å; N516-R518 WeakPolarHBondContact OD1-CB 3.48Å; N516-R518 PolarHBondContact OD1-N 3.14Å; N516-R518 VanDerWaalsContact OD1-N 3.15Å; R518-G520 PolarHBondContact O-N 2.73Å
519S96.9Very high98.1Very high4 Ų456.7 Ų56.73%0.02829%0.29CS..G310 helixtrans-68-20.4177.171.60000112.6L442 T443 Y444 N516 K517 F521L442-S519 WeakPolarHBondContact O-CA 3.39Å; L442-S519 WeakPolarHBondContact O-CB 3.43Å; T443-S519 CarbonylContact C-O 3.59Å; T443-S519 WeakPolarHBondContact CA-O 3.43Å; Y444-S519 PolarHBondContact N-O 3.46Å; N516-S519 VanDerWaalsContact O-CB 3.23Å; N516-S519 WeakPolarHBondContact O-CB 3.3Å; N516-S519 PolarHBondContact O-N 3.27Å; N516-S519 PolarHBondContact O-OG 2.73Å; K517-S519 PolarHBondContact O-N 3.19Å; S519-F521 PolarHBondContact O-N 3.42Å; S519-F521 WeakPolarHBondContact OG-CD2 3.07Å; S519-F521 PolarHBondContact OG-N 3.42Å
520G97.8Very high98.1Very high52 Ų5259.4 Ų59.454%0.53630%0.303SS..  trans68.79.5-175.800000114.2K517 R518K517-G520 PolarHBondContact O-N 2.91Å; R518-G520 PolarHBondContact O-N 2.73Å
521F98.1Very high98.1Very high11 Ų1158 Ų585%0.04829%0.294CS..  trans-65.2137.3171-86-94.6000110.5Y444 L447 F509 F513 S519 S523 F534 M537Y444-F521 VanDerWaalsContact CA-CE2 3.43Å; Y444-F521 AromaticContact CD2-CD1 4Å; Y444-F521 HydrophobicContact CD2-CD1 4Å; Y444-F521 AromaticContact CD2-CE1 3.67Å; Y444-F521 HydrophobicContact CD2-CE1 3.67Å; Y444-F521 AromaticContact CD2-CZ 3.98Å; Y444-F521 HydrophobicContact CD2-CZ 3.98Å; Y444-F521 HydrophobicContact CE2-CE1 4.48Å; Y444-F521 HydrophobicContact CG-CD1 4.45Å; Y444-F521 HydrophobicContact CG-CE1 4.42Å; Y444-F521 VanDerWaalsContact N-CE2 3.33Å; L447-F521 HydrophobicContact CD1-CE1 4.29Å; L447-F521 HydrophobicContact CD1-CZ 3.56Å; L447-F521 HydrophobicContact CG-CZ 4.05Å; F509-F521 HydrophobicContact CD2-CB 3.94Å; F509-F521 HydrophobicContact CE2-CB 4.44Å; F513-F521 HydrophobicContact CD1-CD1 4.43Å; F513-F521 AromaticContact CD1-CD2 3.68Å; F513-F521 HydrophobicContact CD1-CD2 3.68Å; F513-F521 HydrophobicContact CD1-CE1 4.43Å; F513-F521 AromaticContact CD1-CE2 3.65Å; F513-F521 HydrophobicContact CD1-CE2 3.65Å; F513-F521 HydrophobicContact CD1-CG 4.08Å; F513-F521 HydrophobicContact CD1-CZ 4.06Å; F513-F521 HydrophobicContact CD2-CB 4.23Å; F513-F521 AromaticContact CD2-CD1 3.69Å; F513-F521 HydrophobicContact CD2-CD1 3.69Å; F513-F521 HydrophobicContact CD2-CD2 4.22Å; F513-F521 HydrophobicContact CD2-CE1 4.14Å; F513-F521 AromaticContact CD2-CG 3.76Å; F513-F521 HydrophobicContact CD2-CG 3.76Å; F513-F521 HydrophobicContact CE1-CD1 4.11Å; F513-F521 AromaticContact CE1-CD2 3.76Å; F513-F521 HydrophobicContact CE1-CD2 3.76Å; F513-F521 AromaticContact CE1-CE1 3.71Å; F513-F521 HydrophobicContact CE1-CE1 3.71Å; F513-F521 AromaticContact CE1-CE2 3.28Å; F513-F521 HydrophobicContact CE1-CE2 3.28Å; F513-F521 HydrophobicContact CE1-CG 4.15Å; F513-F521 AromaticContact CE1-CZ 3.27Å; F513-F521 HydrophobicContact CE1-CZ 3.27Å; F513-F521 AromaticContact CE2-CD1 3.31Å; F513-F521 HydrophobicContact CE2-CD1 3.31Å; F513-F521 HydrophobicContact CE2-CD2 4.29Å; F513-F521 AromaticContact CE2-CE1 3.35Å; F513-F521 HydrophobicContact CE2-CE1 3.35Å; F513-F521 HydrophobicContact CE2-CE2 4.3Å; F513-F521 AromaticContact CE2-CG 3.84Å; F513-F521 HydrophobicContact CE2-CG 3.84Å; F513-F521 AromaticContact CE2-CZ 3.87Å; F513-F521 HydrophobicContact CE2-CZ 3.87Å; F513-F521 HydrophobicContact CG-CB 4.36Å; F513-F521 HydrophobicContact CG-CD1 4.24Å; F513-F521 AromaticContact CG-CD2 3.92Å; F513-F521 HydrophobicContact CG-CD2 3.92Å; F513-F521 HydrophobicContact CG-CE2 4.3Å; F513-F521 AromaticContact CG-CG 3.89Å; F513-F521 HydrophobicContact CG-CG 3.89Å; F513-F521 AromaticContact CZ-CD1 3.57Å; F513-F521 HydrophobicContact CZ-CD1 3.57Å; F513-F521 HydrophobicContact CZ-CD2 4.09Å; F513-F521 AromaticContact CZ-CE1 3.1Å; F513-F521 HydrophobicContact CZ-CE1 3.1Å; F513-F521 AromaticContact CZ-CE2 3.66Å; F513-F521 HydrophobicContact CZ-CE2 3.66Å; F513-F521 HydrophobicContact CZ-CG 4.05Å; F513-F521 AromaticContact CZ-CZ 3.16Å; F513-F521 HydrophobicContact CZ-CZ 3.16Å; S519-F521 PolarHBondContact O-N 3.42Å; S519-F521 WeakPolarHBondContact OG-CD2 3.07Å; S519-F521 PolarHBondContact OG-N 3.42Å; F521-S523 PolarHBondContact O-N 3.23Å; F521-F534 HydrophobicContact CD1-CE2 4.08Å; F521-F534 HydrophobicContact CE1-CE2 4.41Å; F521-M537 HydrophobicContact CE1-CE 4.01Å
522P98Very high98.1Very high27 Ų2756.3 Ų56.318%0.17529%0.286CS..  trans-66134.317726.6-32.3000110V505 C524 F525 F534V505-P522 HydrophobicContact CG2-CB 4.24Å; V505-P522 HydrophobicContact CG2-CG 3.94Å; V505-P522 WeakPolarHBondContact CG2-O 3.39Å; P522-C524 WeakPolarHBondContact CB-O 3.46Å; P522-F525 HydrophobicContact CB-CD1 4.31Å; P522-F525 HydrophobicContact CB-CE1 4.06Å; P522-F525 HydrophobicContact CG-CD1 4.45Å; P522-F525 HydrophobicContact CG-CE1 3.72Å; P522-F525 HydrophobicContact CG-CZ 4.32Å; P522-F534 HydrophobicContact CG-CD2 3.66Å; P522-F534 HydrophobicContact CG-CE2 3.75Å
523S97.9Very high98.1Very high52 Ų5259.2 Ų59.236%0.36430%0.299SS..SBendtrans-92.6-12.2165.560.90000112.3N506 F521N506-S523 WeakPolarHBondContact CB-O 3.23Å; F521-S523 PolarHBondContact O-N 3.23Å
524C98.5Very high98.1Very high53 Ų5359 Ų5936%0.35830%0.298SS..SBendtrans-154.8162.6176.459.60000109.2Q502 P522Q502-C524 VanDerWaalsContact OE1-CA 3.3Å; P522-C524 WeakPolarHBondContact CB-O 3.46Å
525F98.6Very high98.2Very high2 Ų256.4 Ų56.41%0.00929%0.285CS..  trans-113.1138.2172.8-64.3-56.7000111.2V495 L501 Q502 W504 V505 P522 E530 V531 F534V495-F525 HydrophobicContact CG1-CB 3.64Å; L501-F525 HydrophobicContact CD1-CD2 3.66Å; L501-F525 HydrophobicContact CD1-CE2 3.8Å; L501-F525 HydrophobicContact CD2-CD2 4.31Å; L501-F525 HydrophobicContact CG-CD2 3.9Å; Q502-F525 PolarHBondContact NE2-O 3.47Å; Q502-F525 PolarHBondContact OE1-O 2.61Å; W504-F525 HydrophobicContact CE3-CE2 4.2Å; W504-F525 AromaticContact CZ3-CE2 3.98Å; W504-F525 HydrophobicContact CZ3-CE2 3.98Å; W504-F525 HydrophobicContact CZ3-CZ 4.41Å; V505-F525 HydrophobicContact CB-CD2 3.96Å; V505-F525 HydrophobicContact CB-CE2 3.44Å; V505-F525 VanDerWaalsContact CB-CE2 3.44Å; V505-F525 HydrophobicContact CB-CZ 3.86Å; V505-F525 HydrophobicContact CG1-CD2 3.8Å; V505-F525 HydrophobicContact CG1-CE2 3.84Å; V505-F525 HydrophobicContact CG1-CG 4.43Å; V505-F525 HydrophobicContact CG1-CZ 4.46Å; V505-F525 HydrophobicContact CG2-CD2 4.27Å; V505-F525 HydrophobicContact CG2-CE1 4.02Å; V505-F525 HydrophobicContact CG2-CE2 3.58Å; V505-F525 HydrophobicContact CG2-CZ 3.42Å; V505-F525 VanDerWaalsContact CG2-CZ 3.42Å; P522-F525 HydrophobicContact CB-CD1 4.31Å; P522-F525 HydrophobicContact CB-CE1 4.06Å; P522-F525 HydrophobicContact CG-CD1 4.45Å; P522-F525 HydrophobicContact CG-CE1 3.72Å; P522-F525 HydrophobicContact CG-CZ 4.32Å; F525-E530 HydrophobicContact CD1-CB 3.78Å; F525-E530 HydrophobicContact CE1-CB 4.38Å; F525-V531 HydrophobicContact CB-CG2 3.78Å; F525-V531 HydrophobicContact CD1-CG2 4.26Å; F525-V531 HydrophobicContact CD2-CG2 3.8Å; F525-V531 HydrophobicContact CE2-CG2 4.4Å; F525-V531 HydrophobicContact CG-CG2 3.7Å; F525-F534 HydrophobicContact CE1-CB 3.73Å; F525-F534 HydrophobicContact CE1-CD2 4.18Å; F525-F534 AromaticContact CE1-CG 3.96Å; F525-F534 HydrophobicContact CE1-CG 3.96Å; F525-F534 HydrophobicContact CZ-CB 3.55Å; F525-F534 AromaticContact CZ-CD1 3.73Å; F525-F534 HydrophobicContact CZ-CD1 3.73Å; F525-F534 AromaticContact CZ-CD2 3.99Å; F525-F534 HydrophobicContact CZ-CD2 3.99Å; F525-F534 HydrophobicContact CZ-CE1 4.39Å; F525-F534 AromaticContact CZ-CG 3.49Å; F525-F534 HydrophobicContact CZ-CG 3.49Å; F525-F534 VanDerWaalsContact CZ-CG 3.49Å
526N98.4Very high98.2Very high75 Ų7551.1 Ų51.140%0.40126%0.26SS..  trans-111.6-30.4176.2-54.8-72.6000111.7D492 M496 E530D492-N526 WeakPolarHBondContact CB-O 3.47Å; M496-N526 HydrophobicContact CG-CB 4.46Å; N526-E530 PolarHBondContact N-OE2 2.87Å
527T98.8Very high98.3Very high36 Ų3649.3 Ų49.322%0.22125%0.25CS..SBendtrans-124.7158-173.773.60000113.3D492 E529 E530 V531D492-T527 WeakPolarHBondContact OD1-CA 3.32Å; D492-T527 WeakPolarHBondContact OD1-CB 3.36Å; T527-E529 VanDerWaalsContact C-N 3.28Å; T527-E529 PolarHBondContact O-N 3.36Å; T527-E530 PolarHBondContact N-OE2 3.07Å; T527-E530 PolarHBondContact O-N 3.26Å; T527-E530 VanDerWaalsContact OG1-CG 3.3Å; T527-E530 WeakPolarHBondContact OG1-CG 3.3Å; T527-E530 PolarHBondContact OG1-N 3.15Å; T527-E530 VanDerWaalsContact OG1-N 3.15Å; T527-V531 WeakPolarHBondContact O-CG2 3.39Å; T527-V531 PolarHBondContact O-N 3.12Å
528I98.5Very high98.4Very high21 Ų2140.8 Ų40.811%0.10821%0.213CC..Hα-helixtrans-60.4-40.7173-67.5165.5000110.9V485 D486 Y489 D492 V495 E530 V531 A532V485-I528 HydrophobicContact CB-CG2 4.43Å; V485-I528 HydrophobicContact CG1-CG2 3.65Å; D486-I528 WeakPolarHBondContact OD1-CG2 3.4Å; Y489-I528 VanDerWaalsContact O-CD1 3.29Å; Y489-I528 WeakPolarHBondContact O-CD1 3.49Å; D492-I528 PolarHBondContact OD1-N 2.65Å; V495-I528 HydrophobicContact CG2-CG1 3.76Å; I528-E530 VanDerWaalsContact C-N 3.35Å; I528-E530 PolarHBondContact O-N 2.84Å; I528-V531 PolarHBondContact O-N 3.42Å; I528-A532 PolarHBondContact O-N 2.99Å
529E98.5Very high98.5Very high155 Ų15529.8 Ų29.872%0.72417%0.172SC*.Hα-helixtrans-59.6-42.9178.6-173.5-175167.900112.1T527 V531 A532 K533T527-E529 VanDerWaalsContact C-N 3.28Å; T527-E529 PolarHBondContact O-N 3.36Å; E529-V531 VanDerWaalsContact C-N 3.32Å; E529-V531 PolarHBondContact O-N 3.06Å; E529-A532 PolarHBondContact O-N 3.37Å; E529-K533 VanDerWaalsContact O-CB 3.32Å; E529-K533 WeakPolarHBondContact O-CB 3.38Å; E529-K533 PolarHBondContact O-N 3.05Å
530E98.6Very high98.6Very high73 Ų7329.7 Ų29.734%0.34117%0.171SC..Hα-helixtrans-61.1-41.8177.6-73.3171.7167.900111.5F525 N526 T527 I528 F534F525-E530 HydrophobicContact CD1-CB 3.78Å; F525-E530 HydrophobicContact CE1-CB 4.38Å; N526-E530 PolarHBondContact N-OE2 2.87Å; T527-E530 PolarHBondContact N-OE2 3.07Å; T527-E530 PolarHBondContact O-N 3.26Å; T527-E530 VanDerWaalsContact OG1-CG 3.3Å; T527-E530 WeakPolarHBondContact OG1-CG 3.3Å; T527-E530 PolarHBondContact OG1-N 3.15Å; T527-E530 VanDerWaalsContact OG1-N 3.15Å; I528-E530 VanDerWaalsContact C-N 3.35Å; I528-E530 PolarHBondContact O-N 2.84Å; E530-F534 VanDerWaalsContact O-CB 3.29Å; E530-F534 WeakPolarHBondContact O-CB 3.19Å; E530-F534 PolarHBondContact O-N 3.04Å
531V98.9Very high98.6Very high0 Ų027.7 Ų27.70%015%0.147CC..Hα-helixtrans-65.9-48.8178.2-1800000110.7L392 V485 V495 L501 F525 T527 I528 E529 K533 F534 I535L392-V531 HydrophobicContact CD1-CG1 4.13Å; V485-V531 HydrophobicContact CG1-CB 4.24Å; V485-V531 HydrophobicContact CG1-CG1 4.06Å; V485-V531 HydrophobicContact CG2-CG1 3.94Å; V495-V531 HydrophobicContact CG1-CG2 3.66Å; V495-V531 HydrophobicContact CG2-CG2 4.21Å; L501-V531 HydrophobicContact CD1-CG1 4.38Å; L501-V531 HydrophobicContact CD2-CG1 4.48Å; L501-V531 HydrophobicContact CD2-CG2 3.85Å; F525-V531 HydrophobicContact CB-CG2 3.78Å; F525-V531 HydrophobicContact CD1-CG2 4.26Å; F525-V531 HydrophobicContact CD2-CG2 3.8Å; F525-V531 HydrophobicContact CE2-CG2 4.4Å; F525-V531 HydrophobicContact CG-CG2 3.7Å; T527-V531 WeakPolarHBondContact O-CG2 3.39Å; T527-V531 PolarHBondContact O-N 3.12Å; I528-V531 PolarHBondContact O-N 3.42Å; E529-V531 VanDerWaalsContact C-N 3.32Å; E529-V531 PolarHBondContact O-N 3.06Å; V531-K533 PolarHBondContact O-N 3.04Å; V531-F534 PolarHBondContact O-N 2.95Å; V531-I535 HydrophobicContact CG1-CD1 3.69Å; V531-I535 HydrophobicContact CG1-CG1 4.46Å; V531-I535 WeakPolarHBondContact O-CG1 3.45Å; V531-I535 PolarHBondContact O-N 3.13Å
532A98.8Very high98.6Very high2 Ų227.2 Ų27.22%0.01715%0.145CC..Hα-helixtrans-61-45.5179.900000111.6V485 I528 E529 F534 I535 T536V485-A532 HydrophobicContact CG2-CB 4.38Å; I528-A532 PolarHBondContact O-N 2.99Å; E529-A532 PolarHBondContact O-N 3.37Å; A532-F534 PolarHBondContact O-N 3.33Å; A532-I535 PolarHBondContact O-N 2.97Å; A532-T536 WeakPolarHBondContact O-CB 3.32Å; A532-T536 PolarHBondContact O-N 3.46Å; A532-T536 PolarHBondContact O-OG1 2.86Å
533K98.8Very high98.7Very high62 Ų6226 Ų2627%0.2714%0.137SC..Hα-helixtrans-61.6-42.7175.9-174.3-179.9-178.1170.40111.9Y444 E451 E529 V531 T536 M537Y444-K533 HydrophobicContact CE1-CD 4.5Å; E451-K533 VanDerWaalsContact OE1-CE 3.3Å; E451-K533 WeakPolarHBondContact OE1-CE 3.33Å; E451-K533 IonicContact OE1-NZ 3.61Å; E451-K533 PolarHBondContact OE1-NZ 2.94Å; E529-K533 VanDerWaalsContact O-CB 3.32Å; E529-K533 WeakPolarHBondContact O-CB 3.38Å; E529-K533 PolarHBondContact O-N 3.05Å; V531-K533 PolarHBondContact O-N 3.04Å; K533-T536 VanDerWaalsContact O-CB 3.32Å; K533-T536 WeakPolarHBondContact O-CB 3.42Å; K533-T536 PolarHBondContact O-N 3.41Å; K533-M537 PolarHBondContact O-N 3.26Å
534F98.9Very high98.7Very high0 Ų023.5 Ų23.50%012%0.119CC..Hα-helixtrans-67.5-41.4-179.9-167-90.3000112.2Y444 W504 V505 I508 F521 P522 F525 E530 V531 A532 T536 M537 V538Y444-F534 AromaticContact CE2-CD2 3.8Å; Y444-F534 HydrophobicContact CE2-CD2 3.8Å; Y444-F534 HydrophobicContact CE2-CE2 4.3Å; Y444-F534 AromaticContact CZ-CD2 3.99Å; Y444-F534 WeakPolarHBondContact OH-CA 3.34Å; Y444-F534 PolarHBondContact OH-N 2.8Å; W504-F534 AromaticContact CH2-CD1 3.68Å; W504-F534 HydrophobicContact CH2-CD1 3.68Å; W504-F534 AromaticContact CH2-CE1 3.69Å; W504-F534 HydrophobicContact CH2-CE1 3.69Å; W504-F534 HydrophobicContact CZ2-CE1 4.38Å; W504-F534 AromaticContact CZ3-CD1 3.8Å; W504-F534 HydrophobicContact CZ3-CD1 3.8Å; W504-F534 AromaticContact CZ3-CE1 3.92Å; W504-F534 HydrophobicContact CZ3-CE1 3.92Å; V505-F534 HydrophobicContact CG2-CE2 4.41Å; V505-F534 HydrophobicContact CG2-CZ 4.25Å; I508-F534 HydrophobicContact CD1-CE1 3.94Å; I508-F534 HydrophobicContact CD1-CZ 4.22Å; I508-F534 HydrophobicContact CG2-CZ 4.08Å; F521-F534 HydrophobicContact CD1-CE2 4.08Å; F521-F534 HydrophobicContact CE1-CE2 4.41Å; P522-F534 HydrophobicContact CG-CD2 3.66Å; P522-F534 HydrophobicContact CG-CE2 3.75Å; F525-F534 HydrophobicContact CE1-CB 3.73Å; F525-F534 HydrophobicContact CE1-CD2 4.18Å; F525-F534 AromaticContact CE1-CG 3.96Å; F525-F534 HydrophobicContact CE1-CG 3.96Å; F525-F534 HydrophobicContact CZ-CB 3.55Å; F525-F534 AromaticContact CZ-CD1 3.73Å; F525-F534 HydrophobicContact CZ-CD1 3.73Å; F525-F534 AromaticContact CZ-CD2 3.99Å; F525-F534 HydrophobicContact CZ-CD2 3.99Å; F525-F534 HydrophobicContact CZ-CE1 4.39Å; F525-F534 AromaticContact CZ-CG 3.49Å; F525-F534 HydrophobicContact CZ-CG 3.49Å; F525-F534 VanDerWaalsContact CZ-CG 3.49Å; E530-F534 VanDerWaalsContact O-CB 3.29Å; E530-F534 WeakPolarHBondContact O-CB 3.19Å; E530-F534 PolarHBondContact O-N 3.04Å; V531-F534 PolarHBondContact O-N 2.95Å; A532-F534 PolarHBondContact O-N 3.33Å; F534-T536 VanDerWaalsContact C-N 3.32Å; F534-T536 PolarHBondContact O-N 3.45Å; F534-M537 HydrophobicContact CD2-CE 3.96Å; F534-M537 HydrophobicContact CE1-CE 4.32Å; F534-M537 HydrophobicContact CE2-CE 3.72Å; F534-M537 HydrophobicContact CG-CE 4.37Å; F534-M537 HydrophobicContact CZ-CE 3.92Å; F534-M537 WeakPolarHBondContact O-CB 3.38Å; F534-M537 PolarHBondContact O-N 2.93Å; F534-V538 HydrophobicContact CD1-CG2 3.93Å; F534-V538 HydrophobicContact CE1-CG2 3.74Å; F534-V538 WeakPolarHBondContact O-CG2 3.28Å; F534-V538 PolarHBondContact O-N 2.65Å
535I98.8Very high98.7Very high1 Ų121.1 Ų21.11%0.00510%0.103CC..Hα-helixtrans-62.5-41.4173.5-68.6163.2000110.7L392 V395 L396 A481 V485 V531 A532 M537 V538 I539L392-I535 HydrophobicContact CD1-CD1 4Å; L392-I535 HydrophobicContact CD2-CD1 3.42Å; L392-I535 VanDerWaalsContact CD2-CD1 3.42Å; L392-I535 HydrophobicContact CG-CD1 4.3Å; V395-I535 HydrophobicContact CG1-CG2 4.27Å; L396-I535 HydrophobicContact CD2-CG2 4.44Å; A481-I535 HydrophobicContact CB-CB 4.3Å; A481-I535 HydrophobicContact CB-CG2 3.94Å; V485-I535 HydrophobicContact CG2-CD1 3.56Å; V531-I535 HydrophobicContact CG1-CD1 3.69Å; V531-I535 HydrophobicContact CG1-CG1 4.46Å; V531-I535 WeakPolarHBondContact O-CG1 3.45Å; V531-I535 PolarHBondContact O-N 3.13Å; A532-I535 PolarHBondContact O-N 2.97Å; I535-M537 VanDerWaalsContact C-N 3.32Å; I535-M537 PolarHBondContact O-N 2.9Å; I535-V538 PolarHBondContact O-N 2.95Å; I535-I539 HydrophobicContact CG2-CD1 3.68Å; I535-I539 HydrophobicContact CG2-CG1 4.25Å; I535-I539 WeakPolarHBondContact O-CG1 3.49Å; I535-I539 PolarHBondContact O-N 3.39Å
536T98.9Very high98.7Very high0 Ų021.4 Ų21.40%011%0.105CC..Hα-helixtrans-55.4-49.7174.1-52.90000110.3W474 L477 N478 A532 K533 F534 I539 F540W474-T536 HydrophobicContact CD2-CG2 3.88Å; W474-T536 HydrophobicContact CE3-CG2 4.19Å; W474-T536 HydrophobicContact CG-CG2 4.41Å; W474-T536 HydrophobicContact CH2-CG2 4.15Å; W474-T536 HydrophobicContact CZ2-CG2 3.86Å; W474-T536 HydrophobicContact CZ3-CG2 4.32Å; L477-T536 HydrophobicContact CB-CG2 4.05Å; N478-T536 VanDerWaalsContact CA-OG1 3.32Å; N478-T536 WeakPolarHBondContact CA-OG1 3.43Å; N478-T536 HydrophobicContact CB-CG2 3.84Å; N478-T536 PolarHBondContact ND2-OG1 2.88Å; A532-T536 WeakPolarHBondContact O-CB 3.32Å; A532-T536 PolarHBondContact O-N 3.46Å; A532-T536 PolarHBondContact O-OG1 2.86Å; K533-T536 VanDerWaalsContact O-CB 3.32Å; K533-T536 WeakPolarHBondContact O-CB 3.42Å; K533-T536 PolarHBondContact O-N 3.41Å; F534-T536 VanDerWaalsContact C-N 3.32Å; F534-T536 PolarHBondContact O-N 3.45Å; T536-I539 PolarHBondContact O-N 3.37Å; T536-F540 WeakPolarHBondContact O-CB 3.23Å; T536-F540 PolarHBondContact O-N 2.88Å
537M98.9Very high98.7Very high0 Ų018 Ų180%09%0.086CC..Hα-helixtrans-58.7-49.8177.4-178.5-79.6-62.800111.2F378 Y444 L447 W474 F521 K533 F534 I535 I539 F540 R541F378-M537 HydrophobicContact CE1-CE 4.48Å; F378-M537 HydrophobicContact CZ-CE 4.07Å; F378-M537 HydrophobicContact CZ-SD 4.09Å; Y444-M537 HydrophobicContact CD2-CE 4.45Å; Y444-M537 HydrophobicContact CE2-CB 4.32Å; Y444-M537 HydrophobicContact CE2-CE 4.01Å; Y444-M537 HydrophobicContact CE2-CG 4.16Å; L447-M537 HydrophobicContact CB-CG 3.99Å; L447-M537 HydrophobicContact CB-SD 4.19Å; L447-M537 HydrophobicContact CD1-SD 4.1Å; W474-M537 HydrophobicContact CH2-CB 3.93Å; W474-M537 HydrophobicContact CZ3-CB 4.41Å; F521-M537 HydrophobicContact CE1-CE 4.01Å; K533-M537 PolarHBondContact O-N 3.26Å; F534-M537 HydrophobicContact CD2-CE 3.96Å; F534-M537 HydrophobicContact CE1-CE 4.32Å; F534-M537 HydrophobicContact CE2-CE 3.72Å; F534-M537 HydrophobicContact CG-CE 4.37Å; F534-M537 HydrophobicContact CZ-CE 3.92Å; F534-M537 WeakPolarHBondContact O-CB 3.38Å; F534-M537 PolarHBondContact O-N 2.93Å; I535-M537 VanDerWaalsContact C-N 3.32Å; I535-M537 PolarHBondContact O-N 2.9Å; M537-I539 PolarHBondContact O-N 2.76Å; M537-F540 PolarHBondContact O-N 3.46Å; M537-R541 HydrophobicContact CG-CG 4.36Å; M537-R541 WeakPolarHBondContact O-CB 3.25Å; M537-R541 VanDerWaalsContact O-CG 3.25Å; M537-R541 WeakPolarHBondContact O-CG 3.46Å; M537-R541 PolarHBondContact O-N 2.78Å; M537-R541 HydrophobicContact SD-CG 3.78Å
538V98.9Very high98.7Very high0 Ų016.2 Ų16.20%08%0.076CC..Hα-helixtrans-56.6-53.9179.1168.80000110.9F378 L396 F534 I535 F540 R541 V542F378-V538 HydrophobicContact CB-CG1 4.16Å; F378-V538 HydrophobicContact CD1-CG2 4.11Å; F378-V538 HydrophobicContact CD2-CB 4.32Å; F378-V538 HydrophobicContact CD2-CG1 3.79Å; F378-V538 HydrophobicContact CD2-CG2 4.1Å; F378-V538 HydrophobicContact CE1-CG2 4.13Å; F378-V538 HydrophobicContact CE2-CB 4.46Å; F378-V538 HydrophobicContact CE2-CG1 4.39Å; F378-V538 HydrophobicContact CE2-CG2 4.11Å; F378-V538 HydrophobicContact CG-CG1 4.02Å; F378-V538 HydrophobicContact CG-CG2 4.11Å; F378-V538 HydrophobicContact CZ-CG2 4.13Å; L396-V538 HydrophobicContact CD2-CG1 3.95Å; F534-V538 HydrophobicContact CD1-CG2 3.93Å; F534-V538 HydrophobicContact CE1-CG2 3.74Å; F534-V538 WeakPolarHBondContact O-CG2 3.28Å; F534-V538 PolarHBondContact O-N 2.65Å; I535-V538 PolarHBondContact O-N 2.95Å; V538-F540 PolarHBondContact O-N 2.98Å; V538-R541 PolarHBondContact O-N 3.37Å; V538-V542 WeakPolarHBondContact O-CG1 3.21Å; V538-V542 WeakPolarHBondContact O-CG2 3.36Å; V538-V542 PolarHBondContact O-N 2.99Å
539I98.9Very high98.7Very high0 Ų015.2 Ų15.20%07%0.071CC..Hα-helixtrans-63.1-45-178.2-64173.6000110.3V395 L396 H399 L477 I535 T536 M537 R541 V542 S543V395-I539 HydrophobicContact CG1-CD1 4.26Å; L396-I539 HydrophobicContact CD2-CG1 4.28Å; H399-I539 HydrophobicContact CB-CG1 4.46Å; L477-I539 HydrophobicContact CD1-CG2 4.22Å; L477-I539 HydrophobicContact CD2-CB 4.39Å; L477-I539 HydrophobicContact CD2-CG2 3.53Å; I535-I539 HydrophobicContact CG2-CD1 3.68Å; I535-I539 HydrophobicContact CG2-CG1 4.25Å; I535-I539 WeakPolarHBondContact O-CG1 3.49Å; I535-I539 PolarHBondContact O-N 3.39Å; T536-I539 PolarHBondContact O-N 3.37Å; M537-I539 PolarHBondContact O-N 2.76Å; I539-R541 PolarHBondContact O-N 2.8Å; I539-V542 WeakPolarHBondContact O-CG2 3.3Å; I539-V542 PolarHBondContact O-N 2.76Å; I539-S543 WeakPolarHBondContact O-CB 3.46Å; I539-S543 PolarHBondContact O-N 3.44Å; I539-S543 PolarHBondContact O-OG 3.4Å
540F98.9Very high98.7Very high2 Ų27.9 Ų7.91%0.0094%0.036CC..Hα-helixtrans-59.7-43.6179.3-178.8-86000112.2L449 A470 W474 L477 T536 M537 V538 V544 Q545L449-F540 HydrophobicContact CB-CE1 4.24Å; L449-F540 HydrophobicContact CB-CZ 4.05Å; L449-F540 HydrophobicContact CD1-CZ 4.3Å; L449-F540 HydrophobicContact CD2-CE2 3.95Å; L449-F540 HydrophobicContact CD2-CZ 3.73Å; L449-F540 HydrophobicContact CG-CZ 4.25Å; A470-F540 HydrophobicContact CB-CE2 4.24Å; A470-F540 HydrophobicContact CB-CZ 4.05Å; W474-F540 HydrophobicContact CB-CD2 4.25Å; W474-F540 HydrophobicContact CB-CE2 4.25Å; W474-F540 HydrophobicContact CE3-CB 3.93Å; W474-F540 HydrophobicContact CE3-CD1 4.02Å; W474-F540 AromaticContact CE3-CD2 3.72Å; W474-F540 HydrophobicContact CE3-CD2 3.72Å; W474-F540 HydrophobicContact CE3-CE2 4.23Å; W474-F540 AromaticContact CE3-CG 3.61Å; W474-F540 HydrophobicContact CE3-CG 3.61Å; W474-F540 HydrophobicContact CZ3-CB 3.97Å; W474-F540 HydrophobicContact CZ3-CD1 4.12Å; W474-F540 AromaticContact CZ3-CG 3.95Å; W474-F540 HydrophobicContact CZ3-CG 3.95Å; L477-F540 HydrophobicContact CD1-CB 4.03Å; L477-F540 HydrophobicContact CD1-CD2 4.14Å; T536-F540 WeakPolarHBondContact O-CB 3.23Å; T536-F540 PolarHBondContact O-N 2.88Å; M537-F540 PolarHBondContact O-N 3.46Å; V538-F540 PolarHBondContact O-N 2.98Å; F540-V544 HydrophobicContact CD2-CB 3.69Å; F540-V544 HydrophobicContact CD2-CG1 3.89Å; F540-V544 HydrophobicContact CD2-CG2 3.97Å; F540-V544 HydrophobicContact CE2-CB 3.68Å; F540-V544 HydrophobicContact CE2-CG1 3.34Å; F540-V544 HydrophobicContact CE2-CG2 4.26Å; F540-V544 HydrophobicContact CG-CB 4.2Å; F540-V544 HydrophobicContact CZ-CB 4.15Å; F540-V544 HydrophobicContact CZ-CG1 3.72Å; F540-V544 PolarHBondContact O-N 2.71Å; F540-V544 VanDerWaalsContact O-N 3.1Å; F540-Q545 HydrophobicContact CD1-CB 4.15Å; F540-Q545 HydrophobicContact CE1-CB 3.88Å; F540-Q545 PolarHBondContact O-N 2.93Å
541R98.5Very high98.5Very high9 Ų96.2 Ų6.23%0.0343%0.03CC..Iπ-helixtrans-64.9-41.5-179.3-70.6-54.5-59.2-174.510.9112.6H370 M537 V538 I539 Q545 H546H370-R541 VanDerWaalsContact C-NH2 3.32Å; H370-R541 PolarHBondContact O-NE 2.9Å; H370-R541 VanDerWaalsContact O-NE 3.07Å; H370-R541 PolarHBondContact O-NH2 3.31Å; M537-R541 HydrophobicContact CG-CG 4.36Å; M537-R541 WeakPolarHBondContact O-CB 3.25Å; M537-R541 VanDerWaalsContact O-CG 3.25Å; M537-R541 WeakPolarHBondContact O-CG 3.46Å; M537-R541 PolarHBondContact O-N 2.78Å; M537-R541 HydrophobicContact SD-CG 3.78Å; V538-R541 PolarHBondContact O-N 3.37Å; I539-R541 PolarHBondContact O-N 2.8Å; R541-Q545 VanDerWaalsContact CZ-CG 3.47Å; R541-H546 PolarHBondContact O-N 3.03Å
542V98.6Very high98.3Very high1 Ų16.3 Ų6.31%0.0063%0.03CC..Iπ-helixtrans-84.6-12.9-175.9-53.50000113.7A375 F378 H399 V538 I539 S666 V667A375-V542 HydrophobicContact CB-CB 4.39Å; A375-V542 HydrophobicContact CB-CG1 3.57Å; F378-V542 HydrophobicContact CD2-CG1 4.05Å; H399-V542 HydrophobicContact CB-CG2 3.92Å; H399-V542 VanDerWaalsContact O-CG2 3.26Å; H399-V542 WeakPolarHBondContact O-CG2 3.38Å; V538-V542 WeakPolarHBondContact O-CG1 3.21Å; V538-V542 WeakPolarHBondContact O-CG2 3.36Å; V538-V542 PolarHBondContact O-N 2.99Å; I539-V542 WeakPolarHBondContact O-CG2 3.3Å; I539-V542 PolarHBondContact O-N 2.76Å; V542-S666 CarbonylContact O-C 3.58Å; V542-S666 WeakPolarHBondContact O-CA 3.43Å; V542-V667 HydrophobicContact CB-CG2 4.12Å; V542-V667 WeakPolarHBondContact O-CG2 3.45Å; V542-V667 PolarHBondContact O-N 3.22Å
543S98.8Very high98.1Very high1 Ų16.2 Ų6.21%0.0073%0.03CC..Iπ-helixtrans-114.9-85.2177.460.90000111.5I539 Q545 H546 A547 E664I539-S543 WeakPolarHBondContact O-CB 3.46Å; I539-S543 PolarHBondContact O-N 3.44Å; I539-S543 PolarHBondContact O-OG 3.4Å; S543-Q545 PolarHBondContact O-N 2.9Å; S543-H546 PolarHBondContact O-N 3.4Å; S543-A547 WeakPolarHBondContact O-CB 3.43Å; S543-A547 PolarHBondContact O-N 3.35Å; S543-E664 WeakPolarHBondContact CA-O 3.44Å; S543-E664 WeakPolarHBondContact CB-O 3.45Å
544V98.8Very high97.9Very high0 Ų03.5 Ų3.50%02%0.018CC..Iπ-helixtrans-55.5-53.3-172-179.20000112L473 L477 F540 H546 A547 A548 L613 L658 I663L473-V544 HydrophobicContact CB-CG1 4.17Å; L473-V544 HydrophobicContact CB-CG2 4.04Å; L473-V544 HydrophobicContact CD1-CG1 3.62Å; L473-V544 HydrophobicContact CD1-CG2 4.09Å; L473-V544 HydrophobicContact CG-CG2 4.46Å; L477-V544 HydrophobicContact CD1-CG2 3.89Å; F540-V544 HydrophobicContact CD2-CB 3.69Å; F540-V544 HydrophobicContact CD2-CG1 3.89Å; F540-V544 HydrophobicContact CD2-CG2 3.97Å; F540-V544 HydrophobicContact CE2-CB 3.68Å; F540-V544 HydrophobicContact CE2-CG1 3.34Å; F540-V544 HydrophobicContact CE2-CG2 4.26Å; F540-V544 HydrophobicContact CG-CB 4.2Å; F540-V544 HydrophobicContact CZ-CB 4.15Å; F540-V544 HydrophobicContact CZ-CG1 3.72Å; F540-V544 PolarHBondContact O-N 2.71Å; F540-V544 VanDerWaalsContact O-N 3.1Å; V544-H546 PolarHBondContact O-N 3.07Å; V544-A547 PolarHBondContact O-N 2.88Å; V544-A548 PolarHBondContact O-N 2.92Å; V544-L613 HydrophobicContact CG2-CD2 3.91Å; V544-L658 HydrophobicContact CG1-CD1 4.31Å; V544-L658 HydrophobicContact CG1-CD2 3.61Å; V544-L658 VanDerWaalsContact O-CD2 3.23Å; V544-L658 WeakPolarHBondContact O-CD2 3.36Å; V544-I663 HydrophobicContact CG2-CD1 4.45Å
545Q98.8Very high97.6Very high4 Ų44 Ų42%0.0192%0.02CC..Iπ-helixtrans-63.8-45.4-178.7-178.377.144.500111.6N244 T371 Y466 F540 R541 S543 A547 A548 V549N244-Q545 PolarHBondContact OD1-NE2 2.76Å; T371-Q545 HydrophobicContact CG2-CB 4.49Å; T371-Q545 HydrophobicContact CG2-CG 3.98Å; Y466-Q545 PolarHBondContact OH-NE2 2.92Å; Y466-Q545 PolarHBondContact OH-OE1 3.26Å; F540-Q545 HydrophobicContact CD1-CB 4.15Å; F540-Q545 HydrophobicContact CE1-CB 3.88Å; F540-Q545 PolarHBondContact O-N 2.93Å; R541-Q545 VanDerWaalsContact CZ-CG 3.47Å; S543-Q545 PolarHBondContact O-N 2.9Å; Q545-A547 VanDerWaalsContact C-N 3.33Å; Q545-A547 PolarHBondContact O-N 3.12Å; Q545-A548 WeakPolarHBondContact O-CB 3.43Å; Q545-A548 PolarHBondContact O-N 2.68Å; Q545-V549 WeakPolarHBondContact O-CG2 3.35Å; Q545-V549 PolarHBondContact O-N 2.88Å; Q545-V549 VanDerWaalsContact O-N 3.11Å
546H98.6Very high97.3Very high8 Ų83.9 Ų3.94%0.0372%0.02CC..Hα-helixtrans-56.4-50.3177.8177.6-118.4000110.6H367 T371 H372 R541 S543 V544 A548 V549 N550 V667 I669H367-H546 AromaticContact NE2-NE2 3.74Å; T371-H546 HydrophobicContact CG2-CB 4.14Å; T371-H546 PolarHBondContact OG1-CD2 2.96Å; H372-H546 AromaticContact NE2-NE2 3.69Å; R541-H546 PolarHBondContact O-N 3.03Å; S543-H546 PolarHBondContact O-N 3.4Å; V544-H546 PolarHBondContact O-N 3.07Å; H546-A548 VanDerWaalsContact C-N 3.32Å; H546-A548 PolarHBondContact O-N 2.76Å; H546-V549 PolarHBondContact O-N 3.12Å; H546-N550 WeakPolarHBondContact O-CB 3.3Å; H546-N550 PolarHBondContact O-N 3.28Å; H546-V667 HydrophobicContact CB-CG2 4.05Å; H546-I669 PolarHBondContact NE2-O 3.1Å
547A98.3Very high97.1Very high2 Ų24 Ų42%0.0172%0.021CC..Hα-helixtrans-56.6-43.3175.800000112.7S543 V544 Q545 V549 N550 N551 I663S543-A547 WeakPolarHBondContact O-CB 3.43Å; S543-A547 PolarHBondContact O-N 3.35Å; V544-A547 PolarHBondContact O-N 2.88Å; Q545-A547 VanDerWaalsContact C-N 3.33Å; Q545-A547 PolarHBondContact O-N 3.12Å; A547-V549 VanDerWaalsContact C-N 3.32Å; A547-V549 PolarHBondContact O-N 3.44Å; A547-N550 PolarHBondContact O-N 3.42Å; A547-N551 VanDerWaalsContact O-CB 3.28Å; A547-N551 WeakPolarHBondContact O-CB 3.5Å; A547-N551 PolarHBondContact O-N 3.12Å; A547-I663 HydrophobicContact CB-CB 4.18Å; A547-I663 HydrophobicContact CB-CG1 3.87Å; A547-I663 HydrophobicContact CB-CG2 3.98Å
548A98.4Very high96.7Very high0 Ų04.1 Ų4.10%02%0.021CC..Hα-helixtrans-60.3-38.8179.400000113.4Y466 V544 Q545 H546 L658Y466-A548 HydrophobicContact CD2-CB 3.83Å; Y466-A548 HydrophobicContact CE2-CB 3.59Å; V544-A548 PolarHBondContact O-N 2.92Å; Q545-A548 WeakPolarHBondContact O-CB 3.43Å; Q545-A548 PolarHBondContact O-N 2.68Å; H546-A548 VanDerWaalsContact C-N 3.32Å; H546-A548 PolarHBondContact O-N 2.76Å; A548-L658 HydrophobicContact CB-CD1 4.39Å; A548-L658 HydrophobicContact CB-CD2 3.76Å; A548-L658 HydrophobicContact CB-CG 4.18Å
549V98.3Very high96.5Very high0 Ų04.4 Ų4.40%02%0.023CC..Hα-helixtrans-96.2-15-176-55.70000113.2H362 H367 T371 Q545 H546 A547H362-V549 PolarHBondContact CE1-O 2.84Å; H362-V549 PolarHBondContact NE2-O 3.01Å; H367-V549 HydrophobicContact CB-CG2 4.3Å; T371-V549 HydrophobicContact CG2-CG2 4.31Å; Q545-V549 WeakPolarHBondContact O-CG2 3.35Å; Q545-V549 PolarHBondContact O-N 2.88Å; Q545-V549 VanDerWaalsContact O-N 3.11Å; H546-V549 PolarHBondContact O-N 3.12Å; A547-V549 VanDerWaalsContact C-N 3.32Å; A547-V549 PolarHBondContact O-N 3.44Å
550N97.4Very high96.3Very high0 Ų04.5 Ų4.50%02%0.023CC..Hα-helixtrans-100-50.9-177.7-176.361.2000113.1H367 H546 A547 G552 Q553 L603 I669H367-N550 PolarHBondContact NE2-OD1 2.99Å; H546-N550 WeakPolarHBondContact O-CB 3.3Å; H546-N550 PolarHBondContact O-N 3.28Å; A547-N550 PolarHBondContact O-N 3.42Å; N550-G552 PolarHBondContact O-N 3.46Å; N550-Q553 WeakPolarHBondContact O-CB 3.29Å; N550-Q553 VanDerWaalsContact O-CG 3.26Å; N550-Q553 WeakPolarHBondContact O-CG 3.44Å; N550-Q553 PolarHBondContact O-N 3.03Å; N550-Q553 PolarHBondContact OD1-NE2 2.92Å; N550-L603 PolarHBondContact ND2-O 3.48Å; N550-L603 PolarHBondContact OD1-O 3.08Å; N550-I669 WeakPolarHBondContact ND2-CG2 3.26Å
551N95.2Very high96.1Very high39 Ų394.5 Ų4.521%0.2092%0.023CC..THydrogen-bonded Turntrans-65.2-23.7-164.7-70.1-5.5000114.1A547 Y657 V662A547-N551 VanDerWaalsContact O-CB 3.28Å; A547-N551 WeakPolarHBondContact O-CB 3.5Å; A547-N551 PolarHBondContact O-N 3.12Å; N551-Y657 HydrophobicContact CB-CD1 3.89Å; N551-Y657 HydrophobicContact CB-CG 4.49Å; N551-V662 PolarHBondContact ND2-O 3.09Å; N551-V662 VanDerWaalsContact ND2-O 3.11Å
552G94.8Very high96Very high1 Ų14.4 Ų4.41%0.012%0.023CC..THydrogen-bonded Turntrans-92.22.1178.200000114.9T241 N550 F554 D555 Y556T241-G552 VanDerWaalsContact CG2-C 3.45Å; T241-G552 WeakPolarHBondContact CG2-O 3.17Å; N550-G552 PolarHBondContact O-N 3.46Å; G552-F554 PolarHBondContact O-N 3.48Å; G552-D555 WeakPolarHBondContact O-CB 3.04Å; G552-D555 PolarHBondContact O-N 3.17Å; G552-D555 VanDerWaalsContact O-N 3.11Å; G552-Y556 WeakPolarHBondContact O-CD2 3.16Å; G552-Y556 PolarHBondContact O-N 3.23Å
553Q95.4Very high95.8Very high0 Ų04.4 Ų4.40%02%0.023CC..Hα-helixtrans-60.2-46.4-173-75.1-174.97700112.7H367 N550 D555 N557 V600 S604H367-Q553 PolarHBondContact CE1-NE2 3.03Å; H367-Q553 VanDerWaalsContact CE1-NE2 3.27Å; N550-Q553 WeakPolarHBondContact O-CB 3.29Å; N550-Q553 VanDerWaalsContact O-CG 3.26Å; N550-Q553 WeakPolarHBondContact O-CG 3.44Å; N550-Q553 PolarHBondContact O-N 3.03Å; N550-Q553 PolarHBondContact OD1-NE2 2.92Å; Q553-D555 VanDerWaalsContact C-N 3.3Å; Q553-D555 PolarHBondContact O-N 2.77Å; Q553-N557 WeakPolarHBondContact O-CA 3.33Å; Q553-N557 WeakPolarHBondContact O-CB 3.33Å; Q553-N557 PolarHBondContact O-N 3.28Å; Q553-V600 HydrophobicContact CB-CB 4.35Å; Q553-S604 VanDerWaalsContact CB-OG 3.29Å; Q553-S604 WeakPolarHBondContact CB-OG 3.38Å
554F92.9Very high95.7Very high6 Ų64.3 Ų4.33%0.0262%0.023CC..Hα-helixtrans-65.7-34.1176.2-169.8-98.7000112.1F211 K214 G552 S558 V597 V600 W601 S604F211-F554 HydrophobicContact CD1-CZ 4.47Å; K214-F554 HydrophobicContact CB-CE1 4.3Å; K214-F554 HydrophobicContact CB-CZ 3.84Å; K214-F554 HydrophobicContact CD-CD1 4.13Å; K214-F554 HydrophobicContact CD-CD2 4.39Å; K214-F554 HydrophobicContact CD-CE1 3.83Å; K214-F554 HydrophobicContact CD-CE2 4.11Å; K214-F554 HydrophobicContact CD-CG 4.39Å; K214-F554 HydrophobicContact CD-CZ 3.83Å; K214-F554 HydrophobicContact CG-CE1 3.89Å; K214-F554 HydrophobicContact CG-CZ 3.92Å; G552-F554 PolarHBondContact O-N 3.48Å; F554-S558 WeakPolarHBondContact O-CB 3.49Å; F554-S558 PolarHBondContact O-OG 2.94Å; F554-V597 HydrophobicContact CE2-CG1 4Å; F554-V600 HydrophobicContact CD2-CG2 4.27Å; F554-W601 HydrophobicContact CD2-CB 3.75Å; F554-W601 HydrophobicContact CE2-CB 3.89Å; F554-S604 PolarHBondContact N-OG 2.77Å
555D93.1Very high95.6Very high9 Ų94.7 Ų4.75%0.0483%0.025CC..Hα-helixtrans-64.6-48.7-179.8-68.6-10.9000111.5T217 P219 G220 G552 Q553 Y657T217-D555 WeakPolarHBondContact CG2-OD1 3.13Å; T217-D555 PolarHBondContact OG1-OD1 3.43Å; P219-D555 HydrophobicContact CB-CB 3.9Å; G220-D555 WeakPolarHBondContact CA-O 3.12Å; G552-D555 WeakPolarHBondContact O-CB 3.04Å; G552-D555 PolarHBondContact O-N 3.17Å; G552-D555 VanDerWaalsContact O-N 3.11Å; Q553-D555 VanDerWaalsContact C-N 3.3Å; Q553-D555 PolarHBondContact O-N 2.77Å; D555-Y657 WeakPolarHBondContact OD2-CE1 3.37Å; D555-Y657 PolarHBondContact OD2-OH 3.3Å
556Y94.1Very high95.4Very high0 Ų04.6 Ų4.60%03%0.025CC..Hα-helixtrans-95.6-29.2-173-70-85.5000114.6V223 F232 Q236 N239 T241 G552 N562 Y657V223-Y556 HydrophobicContact CG2-CD1 3.76Å; V223-Y556 HydrophobicContact CG2-CE1 4.14Å; V223-Y556 HydrophobicContact CG2-CG 4.39Å; F232-Y556 HydrophobicContact CE2-CE1 4.21Å; F232-Y556 HydrophobicContact CZ-CD1 4.24Å; F232-Y556 AromaticContact CZ-CE1 3.87Å; F232-Y556 HydrophobicContact CZ-CE1 3.87Å; Q236-Y556 HydrophobicContact CG-CD1 3.89Å; Q236-Y556 HydrophobicContact CG-CE1 3.86Å; N239-Y556 PolarHBondContact O-OH 3.14Å; T241-Y556 HydrophobicContact CG2-CD2 3.95Å; T241-Y556 HydrophobicContact CG2-CG 4.34Å; G552-Y556 WeakPolarHBondContact O-CD2 3.16Å; G552-Y556 PolarHBondContact O-N 3.23Å; Y556-N562 PolarHBondContact O-ND2 3.2Å; Y556-Y657 AromaticContact CE2-CE2 3.74Å; Y556-Y657 HydrophobicContact CE2-CE2 3.74Å; Y556-Y657 AromaticContact CE2-CZ 3.83Å; Y556-Y657 VanDerWaalsContact CE2-OH 3.22Å; Y556-Y657 WeakPolarHBondContact CE2-OH 3.34Å
557N93.5Very high95.3Very high3 Ų34.4 Ų4.42%0.0162%0.024CC..Hα-helixtrans-108-0.3-167.6-52.2-35000113.5T241 L359 Q553 V600T241-N557 PolarHBondContact OG1-ND2 3.01Å; L359-N557 HydrophobicContact CD1-CB 4.1Å; L359-N557 VanDerWaalsContact CD1-CG 3.42Å; L359-N557 WeakPolarHBondContact CD1-ND2 3.45Å; L359-N557 HydrophobicContact CD2-CB 4.34Å; Q553-N557 WeakPolarHBondContact O-CA 3.33Å; Q553-N557 WeakPolarHBondContact O-CB 3.33Å; Q553-N557 PolarHBondContact O-N 3.28Å; N557-V600 HydrophobicContact CB-CG1 4.37Å
558S91.5Very high95.1Very high2 Ų25.7 Ų5.71%0.0143%0.032CC..SBendtrans-80.2-24.6174.662.60000113.1F211 F554 I560 V597F211-S558 VanDerWaalsContact CE1-OG 3.31Å; F211-S558 WeakPolarHBondContact CE1-OG 3.38Å; F554-S558 WeakPolarHBondContact O-CB 3.49Å; F554-S558 PolarHBondContact O-OG 2.94Å; S558-I560 PolarHBondContact O-N 3.17Å; S558-V597 VanDerWaalsContact O-CG2 3.3Å; S558-V597 WeakPolarHBondContact O-CG2 2.87Å
559W94.1Very high94.9Very high6 Ų610.3 Ų10.32%0.0235%0.053CC..SBendtrans-87.394.5173.2-175.4-119.5000110.5I204 M207 K208 F211 V223 W227 P561 N562I204-W559 HydrophobicContact CG2-CH2 4.01Å; I204-W559 HydrophobicContact CG2-CZ2 3.77Å; I204-W559 WeakPolarHBondContact O-CH2 3.24Å; M207-W559 HydrophobicContact CB-CH2 4.13Å; M207-W559 HydrophobicContact CB-CZ3 3.74Å; K208-W559 HydrophobicContact CB-CZ3 4.33Å; K208-W559 HydrophobicContact CG-CE3 4.39Å; K208-W559 HydrophobicContact CG-CH2 3.76Å; K208-W559 HydrophobicContact CG-CZ3 3.46Å; K208-W559 VanDerWaalsContact CG-CZ3 3.46Å; F211-W559 AromaticContact CE2-CE3 3.77Å; F211-W559 HydrophobicContact CE2-CE3 3.77Å; F211-W559 HydrophobicContact CE2-CZ3 4.28Å; F211-W559 HydrophobicContact CZ-CB 4.24Å; F211-W559 AromaticContact CZ-CE3 3.98Å; F211-W559 HydrophobicContact CZ-CE3 3.98Å; V223-W559 HydrophobicContact CG1-CB 3.86Å; V223-W559 HydrophobicContact CG1-CG 4.31Å; W227-W559 AromaticContact CD1-CD1 3.89Å; W227-W559 AromaticContact CD1-NE1 3.06Å; W227-W559 AromaticContact CD2-NE1 3.91Å; W227-W559 AromaticContact CE2-NE1 3.95Å; W227-W559 AromaticContact CG-CD1 3.85Å; W227-W559 AromaticContact CG-NE1 3.35Å; W227-W559 AromaticContact NE1-NE1 3.41Å; W559-P561 VanDerWaalsContact C-CD 3.41Å; W559-P561 VanDerWaalsContact C-N 3.3Å; W559-P561 HydrophobicContact CD2-CG 4.13Å; W559-P561 HydrophobicContact CH2-CG 4.3Å; W559-P561 HydrophobicContact CZ2-CB 4.34Å; W559-P561 HydrophobicContact CZ2-CG 3.67Å; W559-P561 VanDerWaalsContact O-N 3.13Å; W559-N562 HydrophobicContact CB-CB 4.44Å; W559-N562 WeakPolarHBondContact O-CB 3.3Å; W559-N562 PolarHBondContact O-N 2.68Å
560I93.6Very high94.7Very high2 Ų213.4 Ų13.41%0.017%0.072CC..G310 helixtrans-49.5-38.2-176.1-63.1-54.5000114.9S558 N562 G563 F587 P588 T593 I596 V597S558-I560 PolarHBondContact O-N 3.17Å; I560-N562 PolarHBondContact O-N 3.06Å; I560-G563 CarbonylContact O-C 3.57Å; I560-G563 VanDerWaalsContact O-C 3.29Å; I560-G563 PolarHBondContact O-N 3.23Å; I560-G563 VanDerWaalsContact O-O 3.14Å; I560-F587 HydrophobicContact CG2-CD1 3.78Å; I560-F587 HydrophobicContact CG2-CE1 4.34Å; I560-F587 HydrophobicContact CG2-CG 4.36Å; I560-P588 HydrophobicContact CG2-CG 3.92Å; I560-T593 HydrophobicContact CD1-CG2 4.41Å; I560-T593 HydrophobicContact CG1-CG2 3.6Å; I560-I596 HydrophobicContact CD1-CB 4.49Å; I560-I596 HydrophobicContact CD1-CG2 4.07Å; I560-V597 HydrophobicContact CD1-CG2 4.33Å
561P95.4Very high94.5Very high2 Ų213.6 Ų13.61%0.0137%0.074CC..G310 helixtrans-62.6-22.3175.2-2535.6000115I204 M207 W227 W559 G563 F587I204-P561 HydrophobicContact CG2-CB 4.42Å; I204-P561 HydrophobicContact CG2-CG 3.66Å; M207-P561 HydrophobicContact SD-CG 3.8Å; W227-P561 HydrophobicContact CD2-CB 3.75Å; W227-P561 HydrophobicContact CE3-CB 3.8Å; W227-P561 HydrophobicContact CG-CB 4.47Å; W227-P561 HydrophobicContact CH2-CB 3.8Å; W227-P561 HydrophobicContact CZ2-CB 3.75Å; W227-P561 HydrophobicContact CZ3-CB 3.83Å; W227-P561 WeakPolarHBondContact CZ3-O 3.49Å; W559-P561 VanDerWaalsContact C-CD 3.41Å; W559-P561 VanDerWaalsContact C-N 3.3Å; W559-P561 HydrophobicContact CD2-CG 4.13Å; W559-P561 HydrophobicContact CH2-CG 4.3Å; W559-P561 HydrophobicContact CZ2-CB 4.34Å; W559-P561 HydrophobicContact CZ2-CG 3.67Å; W559-P561 VanDerWaalsContact O-N 3.13Å; P561-G563 VanDerWaalsContact C-N 3.31Å; P561-F587 HydrophobicContact CB-CE1 4.34Å; P561-F587 HydrophobicContact CB-CZ 3.86Å; P561-F587 HydrophobicContact CG-CE2 4.4Å; P561-F587 HydrophobicContact CG-CZ 4.06Å
562N96.5Very high94.5Very high6 Ų612.6 Ų12.63%0.0327%0.07CC..G310 helixtrans-72.8-24.1172.6-170.954.5000112.9V223 W227 Q236 R355 Y556 W559 I560V223-N562 HydrophobicContact CG1-CB 3.76Å; W227-N562 HydrophobicContact CB-CB 4.24Å; Q236-N562 PolarHBondContact NE2-OD1 2.99Å; Q236-N562 PolarHBondContact OE1-ND2 3.38Å; Q236-N562 PolarHBondContact OE1-OD1 3.1Å; R355-N562 WeakPolarHBondContact CB-O 3.49Å; Y556-N562 PolarHBondContact O-ND2 3.2Å; W559-N562 HydrophobicContact CB-CB 4.44Å; W559-N562 WeakPolarHBondContact O-CB 3.3Å; W559-N562 PolarHBondContact O-N 2.68Å; I560-N562 PolarHBondContact O-N 3.06Å
563G95.4Very high94.5Very high1 Ų115.8 Ų15.81%0.019%0.089CC..  trans162.3147.6-179.300000111.4I560 P561I560-G563 CarbonylContact O-C 3.57Å; I560-G563 VanDerWaalsContact O-C 3.29Å; I560-G563 PolarHBondContact O-N 3.23Å; I560-G563 VanDerWaalsContact O-O 3.14Å; P561-G563 VanDerWaalsContact C-N 3.31Å
564S95.7Very high94.5Very high0 Ų019.3 Ų19.30%011%0.11CC..  trans-137.9146.8-178.1-176.20000112S356 L566S356-S564 WeakPolarHBondContact CB-O 3.3Å; S356-S564 PolarHBondContact OG-N 3.19Å; S356-S564 VanDerWaalsContact OG-N 3.14Å; S356-S564 PolarHBondContact OG-O 3.25Å; S564-L566 WeakPolarHBondContact CB-O 3.3Å; S564-L566 PolarHBondContact O-N 3.22Å; S564-L566 PolarHBondContact OG-N 3.49Å; S564-L566 VanDerWaalsContact OG-N 3.11Å; S564-L566 PolarHBondContact OG-O 2.92Å
565L96.3Very high94.7Very high7 Ų722.3 Ų22.34%0.03712%0.123CC..SBendtrans-72.6-13.1169.6-65.6174000113L359 I360 Q363 L421 S424 S425 I596L359-L565 HydrophobicContact CD2-CD2 4.22Å; L359-L565 HydrophobicContact CD2-CG 4.2Å; L359-L565 HydrophobicContact CG-CD2 3.81Å; L359-L565 HydrophobicContact CG-CG 4.33Å; I360-L565 HydrophobicContact CG1-CD2 4Å; Q363-L565 HydrophobicContact CB-CD2 4.5Å; Q363-L565 HydrophobicContact CG-CD2 3.83Å; L421-L565 HydrophobicContact CD2-CD1 4.06Å; L421-L565 HydrophobicContact CD2-CD2 4.4Å; S424-L565 CarbonylContact C-O 3.51Å; S424-L565 WeakPolarHBondContact CA-O 3.4Å; S424-L565 WeakPolarHBondContact CB-O 3.47Å; S425-L565 PolarHBondContact N-O 3.4Å; L565-I596 HydrophobicContact CB-CD1 4.4Å; L565-I596 HydrophobicContact CD1-CG2 4.35Å
566L95.6Very high94.8Very high3 Ų324.3 Ų24.32%0.01615%0.146CC..  trans-137.2122-177176.861.3000109.9L303 S564 P588 D592 I596L303-L566 HydrophobicContact CD1-CD1 3.53Å; L303-L566 HydrophobicContact CD2-CD1 3.81Å; L303-L566 HydrophobicContact CG-CD1 4.26Å; S564-L566 WeakPolarHBondContact CB-O 3.3Å; S564-L566 PolarHBondContact O-N 3.22Å; S564-L566 PolarHBondContact OG-N 3.49Å; S564-L566 VanDerWaalsContact OG-N 3.11Å; S564-L566 PolarHBondContact OG-O 2.92Å; L566-P588 HydrophobicContact CD2-CB 4.16Å; L566-P588 HydrophobicContact CG-CB 4.42Å; L566-P588 WeakPolarHBondContact O-CD 3.42Å; L566-D592 HydrophobicContact CD2-CB 4.03Å; L566-I596 HydrophobicContact CB-CD1 4.1Å
567L95.6Very high94.8Very high3 Ų330.6 Ų30.62%0.01618%0.179CC..  trans-122.5132.8169.2-60.4-179.3000109.2L352 F353 S425 V586L352-L567 HydrophobicContact CD1-CD2 4.42Å; L352-L567 HydrophobicContact CD2-CD2 4.31Å; L352-L567 HydrophobicContact CG-CD2 4.33Å; F353-L567 HydrophobicContact CD1-CD1 3.36Å; F353-L567 HydrophobicContact CE1-CB 4.22Å; F353-L567 HydrophobicContact CE1-CD1 3.44Å; F353-L567 VanDerWaalsContact CE1-CD1 3.44Å; F353-L567 HydrophobicContact CE1-CG 4.49Å; F353-L567 HydrophobicContact CG-CD1 3.99Å; F353-L567 HydrophobicContact CZ-CD1 4.11Å; S425-L567 PolarHBondContact OG-N 2.83Å; L567-V586 HydrophobicContact CB-CG1 3.87Å; L567-V586 HydrophobicContact CD1-CG1 4.25Å; L567-V586 HydrophobicContact CD2-CG1 3.87Å; L567-V586 HydrophobicContact CG-CG1 4.2Å
568C93.9Very high95Very high30 Ų3031 Ų3120%0.20318%0.182CC..  trans-98.8-1.9-167.7-63.60000114.6V586C568-V586 PolarHBondContact N-O 3.42Å
569K94.2Very high95.2Very high97 Ų9733.4 Ų33.442%0.42220%0.199SC..SBendtrans-133.8155.5-179.2-67-65.5-175178.70110.2Y304 F353 E585 V586Y304-K569 VanDerWaalsContact CD2-O 3.31Å; Y304-K569 WeakPolarHBondContact CD2-O 3.47Å; F353-K569 VanDerWaalsContact CZ-O 3.29Å; F353-K569 WeakPolarHBondContact CZ-O 3.49Å; K569-E585 HydrophobicContact CG-CB 4.27Å; K569-E585 WeakPolarHBondContact CG-O 3.32Å; K569-V586 HydrophobicContact CB-CB 4.35Å; K569-V586 HydrophobicContact CB-CG2 3.92Å; K569-V586 HydrophobicContact CG-CG2 4.5Å
570P94.3Very high95.1Very high64 Ų6436.6 Ų36.642%0.41622%0.215SC..PPolyproline II helixtrans-67.1156178.226.3-33.8000112.1Y304 F353Y304-P570 HydrophobicContact CD1-CB 3.9Å; Y304-P570 HydrophobicContact CD2-CB 4.31Å; Y304-P570 HydrophobicContact CE1-CB 3.66Å; Y304-P570 HydrophobicContact CE2-CB 4.09Å; Y304-P570 HydrophobicContact CE2-CG 4.39Å; Y304-P570 VanDerWaalsContact CE2-N 3.34Å; Y304-P570 HydrophobicContact CG-CB 4.21Å; F353-P570 VanDerWaalsContact CZ-C 3.48Å; F353-P570 WeakPolarHBondContact CZ-O 3.35Å
571P94.4Very high95.2Very high4 Ų441.5 Ų41.53%0.02624%0.238CC..PPolyproline II helixtrans-54.2149.3166.9-26.936.3000112.9L327 Y328 F353 V573L327-P571 HydrophobicContact CD1-CB 3.86Å; Y328-P571 HydrophobicContact CE2-CB 4.23Å; Y328-P571 HydrophobicContact CE2-CG 4.33Å; Y328-P571 VanDerWaalsContact OH-CD 3.32Å; Y328-P571 WeakPolarHBondContact OH-CD 3.09Å; Y328-P571 WeakPolarHBondContact OH-CG 3.44Å; F353-P571 HydrophobicContact CD1-CB 4.23Å; F353-P571 HydrophobicContact CD1-CG 3.6Å; F353-P571 HydrophobicContact CD2-CB 4.27Å; F353-P571 HydrophobicContact CE1-CB 4.27Å; F353-P571 HydrophobicContact CE1-CG 3.6Å; F353-P571 HydrophobicContact CE2-CB 4.34Å; F353-P571 HydrophobicContact CG-CB 4.23Å; F353-P571 HydrophobicContact CG-CG 4.08Å; F353-P571 HydrophobicContact CZ-CB 4.33Å; F353-P571 HydrophobicContact CZ-CG 4.1Å; P571-V573 PolarHBondContact O-N 3.1Å
572P94.1Very high95.1Very high19 Ų1943.6 Ų43.612%0.12325%0.25CS..PPolyproline II helixtrans-63.2132.4173.426.7-33.5000110.7L327 F338 L349L327-P572 HydrophobicContact CD1-CG 4.16Å; F338-P572 HydrophobicContact CE1-CB 4.42Å; F338-P572 HydrophobicContact CE1-CG 4.15Å; F338-P572 HydrophobicContact CE2-CG 4.35Å; F338-P572 HydrophobicContact CZ-CB 4.02Å; F338-P572 HydrophobicContact CZ-CG 3.67Å; L349-P572 HydrophobicContact CB-CG 4.08Å
573V94.9Very high95Very high68 Ų6843.3 Ų43.341%0.41225%0.249SC..  trans-104.5-3.1178.1-61.60000112.8Q334 P571Q334-V573 HydrophobicContact CB-CB 4.21Å; Q334-V573 WeakPolarHBondContact O-CA 3.44Å; Q334-V573 WeakPolarHBondContact O-CB 3.45Å; Q334-V573 WeakPolarHBondContact O-CG1 3.3Å; P571-V573 PolarHBondContact O-N 3.1Å
574T94.5Very high95Very high74 Ų7444.2 Ų44.245%0.45425%0.253SS..SBendtrans-150.7140.1-177.1-51.50000109.3L577T574-L577 HydrophobicContact CG2-CD1 4.07Å
575K97.2Very high94.9Very high68 Ų6848.1 Ų48.130%0.29627%0.272SS..THydrogen-bonded Turntrans-79.7157.8177.4-58.6-175.8176.8-162.20111.9P336 I337 F338 D342 L577P336-K575 HydrophobicContact CB-CG 4.35Å; P336-K575 HydrophobicContact CG-CG 4.33Å; I337-K575 WeakPolarHBondContact O-CE 3.4Å; I337-K575 PolarHBondContact O-NZ 2.88Å; F338-K575 HydrophobicContact CD1-CG 4.21Å; F338-K575 HydrophobicContact CE1-CG 4.02Å; D342-K575 IonicContact OD1-NZ 2.74Å; D342-K575 PolarHBondContact OD1-NZ 3.12Å; D342-K575 WeakPolarHBondContact OD2-CE 3.41Å; D342-K575 IonicContact OD2-NZ 3.53Å; D342-K575 PolarHBondContact OD2-NZ 3.19Å; K575-L577 VanDerWaalsContact C-N 3.33Å; K575-L577 PolarHBondContact O-N 3.25Å
576G96.4Very high94.9Very high51 Ų5148 Ų4853%0.52627%0.271SS..THydrogen-bonded Turntrans80.84.2173.600000115.1D346D346-G576 WeakPolarHBondContact OD2-CA 3.4Å; D346-G576 PolarHBondContact OD2-N 2.64Å
577L94.5Very high94.8Very high133 Ų13347.8 Ų47.870%0.69627%0.27SS*.  trans-109.2-11.5-173.8-59.2-176000113.8T574 K575T574-L577 HydrophobicContact CG2-CD1 4.07Å; K575-L577 VanDerWaalsContact C-N 3.33Å; K575-L577 PolarHBondContact O-N 3.25Å
578S96Very high94.7Very high12 Ų1247.7 Ų47.78%0.08427%0.27CS..  trans-80.7149.2-174.7-54.50000112.9L343 T345 D346 L349L343-S578 WeakPolarHBondContact CD2-O 3.02Å; T345-S578 PolarHBondContact OG1-O 3Å; D346-S578 WeakPolarHBondContact OD1-CB 3.45Å; D346-S578 PolarHBondContact OD1-N 3.02Å; D346-S578 PolarHBondContact OD1-OG 3.12Å; L349-S578 VanDerWaalsContact CD1-OG 3.27Å; L349-S578 WeakPolarHBondContact CD1-OG 3.16Å
579S95.8Very high94.6Very high51 Ų5147.3 Ų47.336%0.35727%0.265SS..  trans-134.4171.9174.668.80000111.4Q581 T582 L583S579-Q581 PolarHBondContact O-N 3.15Å; S579-Q581 PolarHBondContact OG-N 3.3Å; S579-T582 PolarHBondContact N-OG1 3.01Å; S579-T582 WeakPolarHBondContact O-CA 3.32Å; S579-T582 VanDerWaalsContact O-CB 3.25Å; S579-T582 WeakPolarHBondContact O-CB 3.29Å; S579-T582 PolarHBondContact O-N 2.93Å; S579-T582 PolarHBondContact OG-N 3.5Å; S579-T582 PolarHBondContact OG-OG1 3.12Å; S579-T582 VanDerWaalsContact OG-OG1 3.06Å; S579-L583 PolarHBondContact O-N 3.42Å; S579-L583 VanDerWaalsContact O-N 3.16Å
580M93.6Very high94.3Very high74 Ų7443.5 Ų43.537%0.36525%0.25SS..Hα-helixtrans-60-29.6171-70.6-56.2-56.700112.5I204 T345 L583 L584I204-M580 HydrophobicContact CD1-CE 3.37Å; I204-M580 HydrophobicContact CG1-CE 4.39Å; T345-M580 HydrophobicContact CG2-CG 4.3Å; T345-M580 HydrophobicContact CG2-SD 4Å; M580-L583 HydrophobicContact CE-CD1 4.13Å; M580-L583 PolarHBondContact O-N 3.11Å; M580-L583 HydrophobicContact SD-CD1 3.76Å; M580-L584 PolarHBondContact O-N 2.92Å; M580-L584 VanDerWaalsContact O-N 3.11Å
581Q94.7Very high93.9Very high105 Ų10540.6 Ų40.649%0.49123%0.232SC..Hα-helixtrans-66.8-40.2173.4-179.85930.200111S579 L583 L584 E585S579-Q581 PolarHBondContact O-N 3.15Å; S579-Q581 PolarHBondContact OG-N 3.3Å; Q581-L583 VanDerWaalsContact C-N 3.34Å; Q581-L583 PolarHBondContact O-N 2.89Å; Q581-L584 PolarHBondContact O-N 3Å; Q581-E585 WeakPolarHBondContact CG-OE1 3.46Å; Q581-E585 PolarHBondContact NE2-OE1 3.37Å; Q581-E585 WeakPolarHBondContact O-CG 3.24Å; Q581-E585 PolarHBondContact O-N 3.48Å
582T94.5Very high93.7Very high45 Ų4541.5 Ų41.528%0.27624%0.237SC..Hα-helixtrans-58.2-46.1174.3-46.50000111L349 S579 L584 E585 V586L349-T582 HydrophobicContact CD1-CG2 3.95Å; S579-T582 PolarHBondContact N-OG1 3.01Å; S579-T582 WeakPolarHBondContact O-CA 3.32Å; S579-T582 VanDerWaalsContact O-CB 3.25Å; S579-T582 WeakPolarHBondContact O-CB 3.29Å; S579-T582 PolarHBondContact O-N 2.93Å; S579-T582 PolarHBondContact OG-N 3.5Å; S579-T582 PolarHBondContact OG-OG1 3.12Å; S579-T582 VanDerWaalsContact OG-OG1 3.06Å; T582-L584 PolarHBondContact O-N 3.49Å; T582-E585 PolarHBondContact O-N 2.85Å; T582-V586 WeakPolarHBondContact O-CG2 3.44Å; T582-V586 PolarHBondContact O-N 2.94Å
583L93.9Very high93.5Very high0 Ų040.6 Ų40.60%023%0.231CC..Hα-helixtrans-56.4-49.3174.3-84.3160.9000111.9T345 L348 L349 L352 S579 M580 Q581 E585 V586 F587T345-L583 HydrophobicContact CG2-CD1 4.37Å; L348-L583 HydrophobicContact CB-CD1 4.21Å; L348-L583 HydrophobicContact CB-CD2 4.49Å; L348-L583 HydrophobicContact CD1-CD1 4.25Å; L349-L583 HydrophobicContact CD2-CD2 3.5Å; L349-L583 HydrophobicContact CD2-CG 3.95Å; L349-L583 HydrophobicContact CG-CD2 3.75Å; L349-L583 HydrophobicContact CG-CG 3.97Å; L352-L583 HydrophobicContact CD2-CD2 4.11Å; S579-L583 PolarHBondContact O-N 3.42Å; S579-L583 VanDerWaalsContact O-N 3.16Å; M580-L583 HydrophobicContact CE-CD1 4.13Å; M580-L583 PolarHBondContact O-N 3.11Å; M580-L583 HydrophobicContact SD-CD1 3.76Å; Q581-L583 VanDerWaalsContact C-N 3.34Å; Q581-L583 PolarHBondContact O-N 2.89Å; L583-E585 VanDerWaalsContact C-N 3.26Å; L583-E585 PolarHBondContact O-N 2.64Å; L583-V586 PolarHBondContact O-N 3.42Å; L583-F587 HydrophobicContact CB-CE2 4.33Å; L583-F587 HydrophobicContact CD2-CZ 4.42Å; L583-F587 WeakPolarHBondContact O-CD2 3.28Å; L583-F587 WeakPolarHBondContact O-CE2 3.43Å; L583-F587 PolarHBondContact O-N 3.3Å
584L94.8Very high93Very high21 Ų2138 Ų3811%0.1122%0.215CC..Hα-helixtrans-58.9-35.8178.1-78171.2000113.4W201 K202 I204 M207 M580 Q581 T582 F587W201-L584 HydrophobicContact CB-CD2 4.28Å; K202-L584 WeakPolarHBondContact O-CD1 3.31Å; I204-L584 HydrophobicContact CG1-CD2 3.65Å; I204-L584 HydrophobicContact CG1-CG 4.2Å; M207-L584 HydrophobicContact CE-CD2 4.38Å; M580-L584 PolarHBondContact O-N 2.92Å; M580-L584 VanDerWaalsContact O-N 3.11Å; Q581-L584 PolarHBondContact O-N 3Å; T582-L584 PolarHBondContact O-N 3.49Å; L584-F587 PolarHBondContact O-N 3.16Å
585E94Very high92.7Very high82 Ų8236.5 Ų36.538%0.38320%0.202SC..Hα-helixtrans-73.5-27.7179.3-73.2174.2-16700113.7K569 Q581 T582 L583K569-E585 HydrophobicContact CG-CB 4.27Å; K569-E585 WeakPolarHBondContact CG-O 3.32Å; Q581-E585 WeakPolarHBondContact CG-OE1 3.46Å; Q581-E585 PolarHBondContact NE2-OE1 3.37Å; Q581-E585 WeakPolarHBondContact O-CG 3.24Å; Q581-E585 PolarHBondContact O-N 3.48Å; T582-E585 PolarHBondContact O-N 2.85Å; L583-E585 VanDerWaalsContact C-N 3.26Å; L583-E585 PolarHBondContact O-N 2.64Å
586V95.3Very high92.3Very high3 Ų333.7 Ų33.72%0.01819%0.191CC..Hα-helixtrans-70.8-34.6175.6-174.60000110.9L349 L352 F353 L567 C568 K569 T582 L583L349-V586 HydrophobicContact CD2-CG2 3.76Å; L352-V586 HydrophobicContact CD2-CG1 4.37Å; F353-V586 HydrophobicContact CE1-CG1 4.39Å; F353-V586 HydrophobicContact CE2-CG1 4Å; F353-V586 HydrophobicContact CE2-CG2 4.46Å; F353-V586 HydrophobicContact CZ-CG1 3.63Å; L567-V586 HydrophobicContact CB-CG1 3.87Å; L567-V586 HydrophobicContact CD1-CG1 4.25Å; L567-V586 HydrophobicContact CD2-CG1 3.87Å; L567-V586 HydrophobicContact CG-CG1 4.2Å; C568-V586 PolarHBondContact N-O 3.42Å; K569-V586 HydrophobicContact CB-CB 4.35Å; K569-V586 HydrophobicContact CB-CG2 3.92Å; K569-V586 HydrophobicContact CG-CG2 4.5Å; T582-V586 WeakPolarHBondContact O-CG2 3.44Å; T582-V586 PolarHBondContact O-N 2.94Å; L583-V586 PolarHBondContact O-N 3.42Å
587F94.8Very high91.9Very high0 Ų031.7 Ų31.70%017%0.168CC..SBendtrans-65.7151.9-176.4-65.7-48.2000113.7I204 M207 L352 I560 P561 L583 L584I204-F587 HydrophobicContact CD1-CE2 4Å; I204-F587 HydrophobicContact CG1-CE2 4.19Å; M207-F587 HydrophobicContact CE-CB 3.89Å; M207-F587 HydrophobicContact CE-CD2 3.54Å; M207-F587 HydrophobicContact CE-CE2 4.28Å; M207-F587 HydrophobicContact CE-CG 3.87Å; M207-F587 HydrophobicContact SD-CD2 4.47Å; L352-F587 HydrophobicContact CD1-CE1 3.84Å; L352-F587 HydrophobicContact CD2-CD1 4.14Å; L352-F587 HydrophobicContact CD2-CE1 3.4Å; L352-F587 HydrophobicContact CD2-CZ 3.92Å; L352-F587 HydrophobicContact CG-CE1 4.28Å; I560-F587 HydrophobicContact CG2-CD1 3.78Å; I560-F587 HydrophobicContact CG2-CE1 4.34Å; I560-F587 HydrophobicContact CG2-CG 4.36Å; P561-F587 HydrophobicContact CB-CE1 4.34Å; P561-F587 HydrophobicContact CB-CZ 3.86Å; P561-F587 HydrophobicContact CG-CE2 4.4Å; P561-F587 HydrophobicContact CG-CZ 4.06Å; L583-F587 HydrophobicContact CB-CE2 4.33Å; L583-F587 HydrophobicContact CD2-CZ 4.42Å; L583-F587 WeakPolarHBondContact O-CD2 3.28Å; L583-F587 WeakPolarHBondContact O-CE2 3.43Å; L583-F587 PolarHBondContact O-N 3.3Å; L584-F587 PolarHBondContact O-N 3.16Å
588P93.1Very high91.5Very high1 Ų125.9 Ų25.91%0.00614%0.139CC..PPolyproline II helixtrans-59157.6172.123-30.9000111.5W201 I560 L566 D592W201-P588 VanDerWaalsContact CD1-O 3.32Å; I560-P588 HydrophobicContact CG2-CG 3.92Å; L566-P588 HydrophobicContact CD2-CB 4.16Å; L566-P588 HydrophobicContact CG-CB 4.42Å; L566-P588 WeakPolarHBondContact O-CD 3.42Å; P588-D592 HydrophobicContact CB-CB 3.68Å
589N91Very high91.1Very high21 Ų2126 Ų2611%0.11214%0.139CC..PPolyproline II helixtrans-68.2171.817271.542.7000110.7K199 K200 G591 D592 T593K199-N589 WeakPolarHBondContact O-CB 3.35Å; K200-N589 HydrophobicContact CD-CB 4.3Å; N589-G591 VanDerWaalsContact C-N 3.33Å; N589-G591 PolarHBondContact O-N 3.5Å; N589-G591 PolarHBondContact OD1-N 3.48Å; N589-D592 VanDerWaalsContact CG-OD2 3.23Å; N589-D592 PolarHBondContact ND2-OD2 2.88Å; N589-D592 PolarHBondContact O-N 2.86Å; N589-D592 PolarHBondContact OD1-N 3.22Å; N589-D592 PolarHBondContact OD1-OD2 3.38Å; N589-T593 WeakPolarHBondContact O-CB 3.38Å; N589-T593 PolarHBondContact O-N 2.93Å; N589-T593 PolarHBondContact O-OG1 3.11Å
590V89.1Confident90.8Very high18 Ų1823.9 Ų23.911%0.10912%0.123CC..Hα-helixtrans-58-44.2-177.5174.40000111.8K199 W201 T593 V594K199-V590 HydrophobicContact CB-CB 4.37Å; K199-V590 HydrophobicContact CB-CG2 4.3Å; K199-V590 HydrophobicContact CD-CB 4.44Å; K199-V590 HydrophobicContact CD-CG2 4.08Å; K199-V590 HydrophobicContact CG-CG2 4.03Å; K199-V590 WeakPolarHBondContact O-CG2 3.48Å; K199-V590 PolarHBondContact O-N 2.97Å; W201-V590 HydrophobicContact CD2-CG2 3.71Å; W201-V590 HydrophobicContact CE3-CG2 4.02Å; W201-V590 HydrophobicContact CG-CG2 4.2Å; W201-V590 HydrophobicContact CH2-CG1 4.25Å; W201-V590 HydrophobicContact CH2-CG2 4.16Å; W201-V590 HydrophobicContact CZ2-CB 4.21Å; W201-V590 HydrophobicContact CZ2-CG1 4.09Å; W201-V590 HydrophobicContact CZ2-CG2 3.88Å; W201-V590 HydrophobicContact CZ3-CG2 4.21Å; V590-T593 WeakPolarHBondContact O-CB 3.38Å; V590-T593 PolarHBondContact O-N 3.39Å; V590-V594 HydrophobicContact CG1-CG2 4.41Å; V590-V594 WeakPolarHBondContact O-CG2 3.35Å; V590-V594 PolarHBondContact O-N 2.81Å
591G86.3Confident90.4Very high3 Ų321.9 Ų21.93%0.03111%0.112CC..Hα-helixtrans-64.1-47.2-179.500000113.2N589 T593 V594 K595N589-G591 VanDerWaalsContact C-N 3.33Å; N589-G591 PolarHBondContact O-N 3.5Å; N589-G591 PolarHBondContact OD1-N 3.48Å; G591-T593 VanDerWaalsContact C-N 3.3Å; G591-T593 PolarHBondContact O-N 3.09Å; G591-V594 PolarHBondContact O-N 3.08Å; G591-K595 WeakPolarHBondContact O-CB 3.17Å; G591-K595 PolarHBondContact O-N 3.44Å
592D88.8Confident90.1Very high22 Ų2217.1 Ų17.112%0.1189%0.09CC..Hα-helixtrans-61-40.9174.7-67.4-37000111.1K298 L566 P588 N589 K595 I596K298-D592 IonicContact NZ-OD1 3.88Å; K298-D592 PolarHBondContact NZ-OD1 2.87Å; K298-D592 IonicContact NZ-OD2 3.53Å; K298-D592 PolarHBondContact NZ-OD2 3.24Å; L566-D592 HydrophobicContact CD2-CB 4.03Å; P588-D592 HydrophobicContact CB-CB 3.68Å; N589-D592 VanDerWaalsContact CG-OD2 3.23Å; N589-D592 PolarHBondContact ND2-OD2 2.88Å; N589-D592 PolarHBondContact O-N 2.86Å; N589-D592 PolarHBondContact OD1-N 3.22Å; N589-D592 PolarHBondContact OD1-OD2 3.38Å; D592-K595 PolarHBondContact O-N 2.84Å; D592-I596 WeakPolarHBondContact O-CG1 3.35Å; D592-I596 PolarHBondContact O-N 3.29Å
593T89.8Confident89.8Confident1 Ų115 Ų151%0.0068%0.077CC..Hα-helixtrans-60-54.1177.5-61.80000111W201 V210 I560 N589 V590 G591 K595 I596 V597W201-T593 HydrophobicContact CZ2-CG2 3.78Å; W201-T593 PolarHBondContact NE1-OG1 3.14Å; V210-T593 HydrophobicContact CG1-CG2 4.01Å; I560-T593 HydrophobicContact CD1-CG2 4.41Å; I560-T593 HydrophobicContact CG1-CG2 3.6Å; N589-T593 WeakPolarHBondContact O-CB 3.38Å; N589-T593 PolarHBondContact O-N 2.93Å; N589-T593 PolarHBondContact O-OG1 3.11Å; V590-T593 WeakPolarHBondContact O-CB 3.38Å; V590-T593 PolarHBondContact O-N 3.39Å; G591-T593 VanDerWaalsContact C-N 3.3Å; G591-T593 PolarHBondContact O-N 3.09Å; T593-K595 PolarHBondContact O-N 2.75Å; T593-I596 PolarHBondContact O-N 3.13Å; T593-V597 HydrophobicContact CG2-CG2 4.39Å; T593-V597 WeakPolarHBondContact O-CG2 3.19Å; T593-V597 PolarHBondContact O-N 2.87Å
594V86.1Confident89.6Confident14 Ų1415.8 Ų15.89%0.0858%0.082CC..Hα-helixtrans-59.2-40.1-179.6174.70000110.3A190 V210 V590 G591 V597 S598A190-V594 HydrophobicContact CB-CG1 4.48Å; V210-V594 HydrophobicContact CG1-CG2 4.44Å; V590-V594 HydrophobicContact CG1-CG2 4.41Å; V590-V594 WeakPolarHBondContact O-CG2 3.35Å; V590-V594 PolarHBondContact O-N 2.81Å; G591-V594 PolarHBondContact O-N 3.08Å; V594-V597 PolarHBondContact O-N 3.21Å; V594-S598 WeakPolarHBondContact O-CB 3.33Å; V594-S598 PolarHBondContact O-N 3.45Å; V594-S598 PolarHBondContact O-OG 3.43Å; V594-S598 VanDerWaalsContact O-OG 3.11Å
595K86.3Confident89.1Confident41 Ų4116.7 Ų16.718%0.1789%0.087CC..Hα-helixtrans-62-45.4177.4-175.2-175175.1-168.30113.1G418 G419 G591 D592 T593 T599G418-K595 WeakPolarHBondContact O-CE 3.48Å; G418-K595 PolarHBondContact O-NZ 3.49Å; G419-K595 PolarHBondContact O-NZ 3.41Å; G591-K595 WeakPolarHBondContact O-CB 3.17Å; G591-K595 PolarHBondContact O-N 3.44Å; D592-K595 PolarHBondContact O-N 2.84Å; T593-K595 PolarHBondContact O-N 2.75Å; K595-T599 PolarHBondContact O-N 3.36Å; K595-T599 VanDerWaalsContact O-N 3.08Å; K595-T599 PolarHBondContact O-OG1 2.9Å
596I89.3Confident88.4Confident10 Ų1019.5 Ų19.55%0.05110%0.098CC..Hα-helixtrans-61.5-49.7176.6-69.4165.9000109.9I560 L565 L566 D592 T593 S598 T599 V600I560-I596 HydrophobicContact CD1-CB 4.49Å; I560-I596 HydrophobicContact CD1-CG2 4.07Å; L565-I596 HydrophobicContact CB-CD1 4.4Å; L565-I596 HydrophobicContact CD1-CG2 4.35Å; L566-I596 HydrophobicContact CB-CD1 4.1Å; D592-I596 WeakPolarHBondContact O-CG1 3.35Å; D592-I596 PolarHBondContact O-N 3.29Å; T593-I596 PolarHBondContact O-N 3.13Å; I596-S598 PolarHBondContact O-N 3.3Å; I596-T599 WeakPolarHBondContact O-CB 3.42Å; I596-T599 PolarHBondContact O-N 3.43Å; I596-T599 VanDerWaalsContact O-N 3.13Å; I596-V600 PolarHBondContact O-N 2.76Å; I596-V600 VanDerWaalsContact O-N 3.09Å
597V88.4Confident87.9Confident9 Ų919.9 Ų19.96%0.05510%0.1CC..Hα-helixtrans-63.1-43.6-178.7176.60000112V210 F554 S558 I560 T593 V594 T599 V600 W601V210-V597 HydrophobicContact CB-CG1 4.24Å; V210-V597 HydrophobicContact CB-CG2 4.49Å; V210-V597 HydrophobicContact CG2-CG1 4.2Å; V210-V597 HydrophobicContact CG2-CG2 4.28Å; F554-V597 HydrophobicContact CE2-CG1 4Å; S558-V597 VanDerWaalsContact O-CG2 3.3Å; S558-V597 WeakPolarHBondContact O-CG2 2.87Å; I560-V597 HydrophobicContact CD1-CG2 4.33Å; T593-V597 HydrophobicContact CG2-CG2 4.39Å; T593-V597 WeakPolarHBondContact O-CG2 3.19Å; T593-V597 PolarHBondContact O-N 2.87Å; V594-V597 PolarHBondContact O-N 3.21Å; V597-T599 VanDerWaalsContact C-N 3.25Å; V597-T599 PolarHBondContact O-N 2.89Å; V597-V600 WeakPolarHBondContact O-CG2 3.48Å; V597-V600 PolarHBondContact O-N 3.12Å; V597-W601 PolarHBondContact O-N 2.86Å
598S85.8Confident87.2Confident11 Ų1125.1 Ų25.18%0.07713%0.132CC..Hα-helixtrans-58.4-38.3174.1-80.40000112T186 V594 I596 W601 I602T186-S598 PolarHBondContact O-OG 2.95Å; V594-S598 WeakPolarHBondContact O-CB 3.33Å; V594-S598 PolarHBondContact O-N 3.45Å; V594-S598 PolarHBondContact O-OG 3.43Å; V594-S598 VanDerWaalsContact O-OG 3.11Å; I596-S598 PolarHBondContact O-N 3.3Å; S598-W601 WeakPolarHBondContact O-CB 3.1Å; S598-W601 PolarHBondContact O-N 2.95Å; S598-I602 WeakPolarHBondContact O-CG1 3.24Å; S598-I602 PolarHBondContact O-N 2.89Å
599T87.5Confident86.7Confident15 Ų1527.2 Ų27.29%0.09214%0.143CC..Hα-helixtrans-68.8-48.9179.5-56.70000111.3L414 A420 K595 I596 V597 W601 I602 L603L414-T599 HydrophobicContact CD2-CG2 3.35Å; A420-T599 HydrophobicContact CB-CG2 3.82Å; A420-T599 WeakPolarHBondContact CB-OG1 3.29Å; K595-T599 PolarHBondContact O-N 3.36Å; K595-T599 VanDerWaalsContact O-N 3.08Å; K595-T599 PolarHBondContact O-OG1 2.9Å; I596-T599 WeakPolarHBondContact O-CB 3.42Å; I596-T599 PolarHBondContact O-N 3.43Å; I596-T599 VanDerWaalsContact O-N 3.13Å; V597-T599 VanDerWaalsContact C-N 3.25Å; V597-T599 PolarHBondContact O-N 2.89Å; T599-W601 PolarHBondContact O-N 3Å; T599-I602 PolarHBondContact O-N 2.81Å; T599-I602 VanDerWaalsContact O-N 3.13Å; T599-L603 HydrophobicContact CG2-CD1 4.14Å; T599-L603 WeakPolarHBondContact O-CG 3.29Å; T599-L603 PolarHBondContact O-N 2.8Å; T599-L603 VanDerWaalsContact O-N 3.13Å
600V89.2Confident86.5Confident5 Ų528.4 Ų28.43%0.0315%0.151CC..Hα-helixtrans-66.5-24.4178.2-62.30000112.5Q553 F554 N557 I596 V597 S604Q553-V600 HydrophobicContact CB-CB 4.35Å; F554-V600 HydrophobicContact CD2-CG2 4.27Å; N557-V600 HydrophobicContact CB-CG1 4.37Å; I596-V600 PolarHBondContact O-N 2.76Å; I596-V600 VanDerWaalsContact O-N 3.09Å; V597-V600 WeakPolarHBondContact O-CG2 3.48Å; V597-V600 PolarHBondContact O-N 3.12Å; V600-S604 WeakPolarHBondContact O-CB 3.24Å; V600-S604 PolarHBondContact O-N 2.84Å; V600-S604 PolarHBondContact O-OG 2.71Å
601W86.9Confident86.6Confident32 Ų3229.6 Ų29.612%0.12116%0.158CC..Hα-helixtrans-60.6-60.2166.8173.8-6.5000110I185 T186 L189 F213 K214 F554 V597 S598 T599 L603 S604 D605I185-W601 HydrophobicContact CG2-CH2 4.08Å; T186-W601 HydrophobicContact CG2-CD2 4Å; T186-W601 HydrophobicContact CG2-CE3 3.87Å; T186-W601 HydrophobicContact CG2-CG 4.39Å; T186-W601 HydrophobicContact CG2-CZ3 4.35Å; L189-W601 HydrophobicContact CD1-CE3 4.41Å; L189-W601 HydrophobicContact CD1-CH2 4.22Å; L189-W601 HydrophobicContact CD1-CZ3 3.52Å; F213-W601 HydrophobicContact CB-CZ3 4.11Å; F213-W601 WeakPolarHBondContact O-CH2 3.15Å; K214-W601 HydrophobicContact CB-CD2 4.06Å; K214-W601 HydrophobicContact CB-CE3 3.98Å; K214-W601 HydrophobicContact CB-CH2 4.03Å; K214-W601 HydrophobicContact CB-CZ2 4.13Å; K214-W601 HydrophobicContact CB-CZ3 3.96Å; K214-W601 HydrophobicContact CD-CB 4.4Å; K214-W601 VanDerWaalsContact CD-CD1 3.49Å; K214-W601 HydrophobicContact CD-CD2 3.61Å; K214-W601 HydrophobicContact CD-CE3 4.37Å; K214-W601 HydrophobicContact CD-CG 3.57Å; K214-W601 HydrophobicContact CD-CZ2 4.24Å; K214-W601 HydrophobicContact CG-CD2 4.43Å; F554-W601 HydrophobicContact CD2-CB 3.75Å; F554-W601 HydrophobicContact CE2-CB 3.89Å; V597-W601 PolarHBondContact O-N 2.86Å; S598-W601 WeakPolarHBondContact O-CB 3.1Å; S598-W601 PolarHBondContact O-N 2.95Å; T599-W601 PolarHBondContact O-N 3Å; W601-L603 PolarHBondContact O-N 3.02Å; W601-S604 CarbonylContact O-C 3.59Å; W601-S604 PolarHBondContact O-N 2.78Å; W601-D605 PolarHBondContact NE1-OD1 2.77Å; W601-D605 PolarHBondContact NE1-OD2 3.39Å; W601-D605 VanDerWaalsContact NE1-OD2 3.09Å; W601-D605 PolarHBondContact O-N 2.94Å; W601-D605 VanDerWaalsContact O-N 3.09Å
602I86.9Confident87.1Confident6 Ų631.2 Ų31.23%0.03117%0.168CC..Hα-helixtrans-49.6-48.6-176.8-62.7161.1000110.4Y179 T182 Q183 T186 L413 S598 T599 S604 D605 I669Y179-I602 HydrophobicContact CE2-CG2 4.08Å; T182-I602 HydrophobicContact CG2-CG1 4.25Å; Q183-I602 HydrophobicContact CG-CD1 4.43Å; T186-I602 HydrophobicContact CG2-CD1 4.21Å; T186-I602 HydrophobicContact CG2-CG1 3.71Å; T186-I602 WeakPolarHBondContact OG1-CD1 3.14Å; L413-I602 HydrophobicContact CD2-CD1 4.3Å; L413-I602 HydrophobicContact CD2-CG2 4.29Å; S598-I602 WeakPolarHBondContact O-CG1 3.24Å; S598-I602 PolarHBondContact O-N 2.89Å; T599-I602 PolarHBondContact O-N 2.81Å; T599-I602 VanDerWaalsContact O-N 3.13Å; I602-S604 PolarHBondContact O-N 2.79Å; I602-D605 PolarHBondContact O-N 3.39Å; I602-I669 HydrophobicContact CG2-CD1 4.47Å; I602-I669 WeakPolarHBondContact O-CD1 3.38Å
603L89.1Confident87.5Confident1 Ų130.5 Ų30.51%0.00516%0.164CC..Hα-helixtrans-65.3-25.6-176.8-59.9175000113.6L414 N550 T599 W601 I669L414-L603 HydrophobicContact CD1-CD1 4.49Å; L414-L603 HydrophobicContact CD2-CD1 4.46Å; N550-L603 PolarHBondContact ND2-O 3.48Å; N550-L603 PolarHBondContact OD1-O 3.08Å; T599-L603 HydrophobicContact CG2-CD1 4.14Å; T599-L603 WeakPolarHBondContact O-CG 3.29Å; T599-L603 PolarHBondContact O-N 2.8Å; T599-L603 VanDerWaalsContact O-N 3.13Å; W601-L603 PolarHBondContact O-N 3.02Å; L603-I669 WeakPolarHBondContact O-CG1 3.49Å
604S88.6Confident87.8Confident16 Ų1630.4 Ų30.411%0.11216%0.164CC..THydrogen-bonded Turntrans-102.64.6-178.9-41.40000113.6Q553 F554 V600 W601 I602Q553-S604 VanDerWaalsContact CB-OG 3.29Å; Q553-S604 WeakPolarHBondContact CB-OG 3.38Å; F554-S604 PolarHBondContact N-OG 2.77Å; V600-S604 WeakPolarHBondContact O-CB 3.24Å; V600-S604 PolarHBondContact O-N 2.84Å; V600-S604 PolarHBondContact O-OG 2.71Å; W601-S604 CarbonylContact O-C 3.59Å; W601-S604 PolarHBondContact O-N 2.78Å; I602-S604 PolarHBondContact O-N 2.79Å
605D84.5Confident88.3Confident40 Ų4032.7 Ų32.721%0.21418%0.177CC..  trans-77.7155.1-175.8-132.120.6000111.8T182 K214 W601 I602T182-D605 WeakPolarHBondContact CG2-OD2 3.39Å; K214-D605 IonicContact NZ-OD1 3.51Å; K214-D605 PolarHBondContact NZ-OD1 3.26Å; W601-D605 PolarHBondContact NE1-OD1 2.77Å; W601-D605 PolarHBondContact NE1-OD2 3.39Å; W601-D605 VanDerWaalsContact NE1-OD2 3.09Å; W601-D605 PolarHBondContact O-N 2.94Å; W601-D605 VanDerWaalsContact O-N 3.09Å; I602-D605 PolarHBondContact O-N 3.39Å
606K80.3Confident88.7Confident141 Ų14132.1 Ų32.161%0.61317%0.174SC*.  trans-109129.2178.9-64.1-174.1178.6-173.70109.5
607Y83.6Confident88.9Confident11 Ų1136 Ų364%0.04320%0.201CC..  trans-99.6162178.2-57.1-70.2000111.1K175 E178 Y179 D609 V610 I669K175-Y607 HydrophobicContact CG-CG 4.38Å; E178-Y607 HydrophobicContact CB-CD1 3.74Å; E178-Y607 HydrophobicContact CB-CE1 4.29Å; E178-Y607 WeakPolarHBondContact OE2-CA 3.44Å; Y179-Y607 HydrophobicContact CD2-CE2 4.36Å; Y179-Y607 AromaticContact CD2-CZ 3.86Å; Y179-Y607 WeakPolarHBondContact CD2-OH 3.41Å; Y607-D609 VanDerWaalsContact C-N 3.28Å; Y607-D609 PolarHBondContact O-N 3.46Å; Y607-V610 WeakPolarHBondContact O-CG2 2.92Å; Y607-I669 HydrophobicContact CE2-CB 4.39Å; Y607-I669 HydrophobicContact CE2-CD1 3.66Å; Y607-I669 HydrophobicContact CE2-CG1 4.02Å
608T80.8Confident89.1Confident110 Ų11038.4 Ų38.468%0.67521%0.211SC*.THydrogen-bonded Turntrans-72.9-18.5-174.160.90000114.5E178E178-T608 WeakPolarHBondContact OE1-CB 3.28Å; E178-T608 WeakPolarHBondContact OE1-CG2 3.43Å; E178-T608 PolarHBondContact OE1-OG1 3.4Å; E178-T608 PolarHBondContact OE2-N 2.83Å; E178-T608 PolarHBondContact OE2-OG1 2.89Å
609D82.4Confident89.4Confident44 Ų4442.1 Ų42.124%0.23523%0.227CC..THydrogen-bonded Turntrans-100.720.2-177.178.8-23.7000114.1S172 K175 Y607 V611S172-D609 WeakPolarHBondContact CB-OD2 3.36Å; S172-D609 PolarHBondContact OG-OD2 3.12Å; K175-D609 VanDerWaalsContact CB-OD2 3.24Å; K175-D609 WeakPolarHBondContact CB-OD2 3.19Å; K175-D609 VanDerWaalsContact CD-OD1 3.26Å; K175-D609 WeakPolarHBondContact CD-OD1 3.38Å; K175-D609 WeakPolarHBondContact CG-OD1 3.41Å; K175-D609 IonicContact NZ-OD1 3.8Å; Y607-D609 VanDerWaalsContact C-N 3.28Å; Y607-D609 PolarHBondContact O-N 3.46Å; D609-V611 PolarHBondContact O-N 3.09Å
610V86.2Confident89.6Confident47 Ų4742.4 Ų42.429%0.28523%0.227SC..  trans-54.8129.1174.5165.70000110.5Y607 E664Y607-V610 WeakPolarHBondContact O-CG2 2.92Å; V610-E664 HydrophobicContact CG1-CG 3.8Å
611V92.4Very high89.8Confident43 Ų4342.7 Ų42.726%0.26123%0.228SC..  trans-112.1105.4175-171.90000109.1D609 T615 P617 E664 N665D609-V611 PolarHBondContact O-N 3.09Å; V611-T615 HydrophobicContact CG1-CG2 4.31Å; V611-T615 WeakPolarHBondContact CG1-O 3.43Å; V611-P617 HydrophobicContact CG1-CG 4.33Å; V611-E664 WeakPolarHBondContact O-CA 3.43Å; V611-N665 WeakPolarHBondContact CG1-ND2 3.34Å; V611-N665 PolarHBondContact O-N 3.32Å; V611-N665 VanDerWaalsContact O-N 3.14Å
612P95.8Very high90Very high37 Ų3743.1 Ų43.124%0.2423%0.233CC..BIsolated β-bridgetrans-63.2154.4-178.4-2334000113.3G614 T615 I663 N665P612-G614 PolarHBondContact O-N 3.25Å; P612-T615 WeakPolarHBondContact O-CB 3.43Å; P612-T615 PolarHBondContact O-N 2.89Å; P612-T615 PolarHBondContact O-OG1 3.07Å; P612-I663 CarbonylContact C-O 3.29Å; P612-I663 VanDerWaalsContact CA-O 3.23Å; P612-I663 WeakPolarHBondContact CA-O 3.38Å; P612-N665 PolarHBondContact O-ND2 3.07Å
613L97.9Very high90.3Very high6 Ų643.3 Ų43.33%0.03123%0.234CC..THydrogen-bonded Turntrans-51132.7177.4-178.561.5000111L473 V544 T615 F633 L637 I663 N665L473-L613 HydrophobicContact CD2-CD2 4.33Å; V544-L613 HydrophobicContact CG2-CD2 3.91Å; L613-T615 PolarHBondContact O-N 2.97Å; L613-F633 HydrophobicContact CD2-CZ 4.49Å; L613-F633 HydrophobicContact CG-CZ 4.27Å; L613-L637 HydrophobicContact CB-CD1 4.41Å; L613-L637 HydrophobicContact CD2-CD1 4.47Å; L613-L637 HydrophobicContact CD2-CD2 4.26Å; L613-L637 HydrophobicContact CG-CD1 4.04Å; L613-L637 VanDerWaalsContact O-CD1 3.23Å; L613-L637 WeakPolarHBondContact O-CD1 3.11Å; L613-I663 HydrophobicContact CB-CB 4.15Å; L613-I663 HydrophobicContact CB-CG2 3.99Å; L613-I663 HydrophobicContact CD2-CG2 4.15Å; L613-I663 PolarHBondContact N-O 2.93Å; L613-N665 VanDerWaalsContact CA-OD1 3.3Å; L613-N665 WeakPolarHBondContact CA-OD1 3.41Å
614G96.6Very high90.6Very high0 Ų048.2 Ų48.20%027%0.266CS..THydrogen-bonded Turntrans78.9-5.7-179.700000114.4P612 Q634 N665P612-G614 PolarHBondContact O-N 3.25Å; G614-Q634 VanDerWaalsContact O-CG 3.29Å; G614-Q634 WeakPolarHBondContact O-CG 3.5Å; G614-Q634 PolarHBondContact O-NE2 3.38Å; G614-N665 PolarHBondContact N-OD1 3.05Å
615T96.1Very high91Very high61 Ų6149.4 Ų49.437%0.37428%0.277SS..  trans-88.5116.4171.8-54.10000109.6V611 P612 L613 P617 N665V611-T615 HydrophobicContact CG1-CG2 4.31Å; V611-T615 WeakPolarHBondContact CG1-O 3.43Å; P612-T615 WeakPolarHBondContact O-CB 3.43Å; P612-T615 PolarHBondContact O-N 2.89Å; P612-T615 PolarHBondContact O-OG1 3.07Å; L613-T615 PolarHBondContact O-N 2.97Å; T615-P617 WeakPolarHBondContact O-CD 3.23Å; T615-N665 PolarHBondContact O-ND2 3.37Å
616Y95.3Very high91.5Very high29 Ų2947.5 Ų47.511%0.11427%0.266CS..  trans-121.883.2-176.8-52.4-52.7000110.3P398 H399 E618 I630 N665P398-Y616 HydrophobicContact CB-CD1 3.6Å; P398-Y616 HydrophobicContact CB-CE1 3.8Å; P398-Y616 HydrophobicContact CG-CD1 3.71Å; P398-Y616 HydrophobicContact CG-CE1 4.03Å; P398-Y616 HydrophobicContact CG-CG 4.49Å; H399-Y616 AromaticContact CE1-CE1 3.96Å; H399-Y616 AromaticContact NE2-CE1 3.73Å; H399-Y616 AromaticContact NE2-CZ 3.85Å; H399-Y616 PolarHBondContact NE2-OH 3.3Å; H399-Y616 VanDerWaalsContact NE2-OH 3.17Å; Y616-E618 PolarHBondContact O-N 3.08Å; Y616-I630 HydrophobicContact CD2-CB 4.5Å; Y616-I630 HydrophobicContact CD2-CD1 3.99Å; Y616-I630 HydrophobicContact CD2-CG1 4.05Å; Y616-I630 HydrophobicContact CD2-CG2 3.65Å; Y616-I630 HydrophobicContact CE2-CD1 4.46Å; Y616-I630 HydrophobicContact CE2-CG1 4.11Å; Y616-I630 HydrophobicContact CE2-CG2 4.04Å; Y616-N665 WeakPolarHBondContact CE1-OD1 3.32Å
617P92.1Very high92.2Very high93 Ų9344.1 Ų44.160%0.60425%0.251SS*.SBendtrans-66.3-24.7-178.526.9-34000112.7V611 T615V611-P617 HydrophobicContact CG1-CG 4.33Å; T615-P617 WeakPolarHBondContact O-CD 3.23Å
618E92.4Very high92.9Very high59 Ų5947.8 Ų47.828%0.27627%0.269SS..SBendtrans-90.2104172.3-58.9-174.9168.500109.9Y83 Y102 Y616 H620Y83-E618 PolarHBondContact OH-OE1 2.72Å; Y102-E618 HydrophobicContact CD1-CB 3.77Å; Y102-E618 HydrophobicContact CD1-CG 3.59Å; Y102-E618 HydrophobicContact CD2-CB 3.94Å; Y102-E618 HydrophobicContact CE1-CB 3.98Å; Y102-E618 HydrophobicContact CE1-CG 4.12Å; Y102-E618 HydrophobicContact CE2-CB 4.13Å; Y102-E618 HydrophobicContact CG-CB 3.76Å; Y102-E618 HydrophobicContact CG-CG 3.83Å; Y616-E618 PolarHBondContact O-N 3.08Å; E618-H620 WeakPolarHBondContact CB-NE2 3.16Å; E618-H620 PolarHBondContact O-CD2 2.9Å; E618-H620 VanDerWaalsContact O-CD2 3.28Å; E618-H620 PolarHBondContact O-N 3.23Å; E618-H620 IonicContact OE2-CE1 3.19Å; E618-H620 IonicContact OE2-NE2 2.79Å; E618-H620 PolarHBondContact OE2-NE2 3.47Å
619E92.9Very high93.7Very high89 Ų8944.3 Ų44.342%0.41625%0.246SC..  trans-77.583.3178.7-66.6-177.9-14900110.9Y102 F621 K627Y102-E619 WeakPolarHBondContact CE2-O 3.26Å; Y102-E619 VanDerWaalsContact CZ-N 3.33Å; Y102-E619 PolarHBondContact OH-N 3.21Å; E619-F621 VanDerWaalsContact C-N 3.29Å; E619-F621 PolarHBondContact O-N 2.89Å; E619-K627 IonicContact OE2-NZ 3.49Å; E619-K627 PolarHBondContact OE2-NZ 3.18Å
620H92.7Very high94.4Very high20 Ų2043.2 Ų43.29%0.09324%0.24CC..  trans-73.6-19.1177.5-72.7-78.1000113.9Y102 G116 K394 E618Y102-H620 AromaticContact CD2-CE1 3.66Å; Y102-H620 AromaticContact CD2-NE2 3.98Å; G116-H620 VanDerWaalsContact O-O 3.1Å; K394-H620 HydrophobicContact CB-CB 4.06Å; K394-H620 HydrophobicContact CG-CB 4.17Å; K394-H620 PolarHBondContact NZ-O 3.38Å; E618-H620 WeakPolarHBondContact CB-NE2 3.16Å; E618-H620 PolarHBondContact O-CD2 2.9Å; E618-H620 VanDerWaalsContact O-CD2 3.28Å; E618-H620 PolarHBondContact O-N 3.23Å; E618-H620 IonicContact OE2-CE1 3.19Å; E618-H620 IonicContact OE2-NE2 2.79Å; E618-H620 PolarHBondContact OE2-NE2 3.47Å
621F92.6Very high94.9Very high11 Ų1147 Ų475%0.04825%0.252CS..  trans-102137.3178.9-63.9-72.1000111.9K394 V395 Y488 E619 L626 K627 I630K394-F621 HydrophobicContact CB-CD1 4.18Å; K394-F621 HydrophobicContact CB-CE1 3.5Å; K394-F621 HydrophobicContact CB-CE2 4.02Å; K394-F621 HydrophobicContact CB-CZ 3.41Å; K394-F621 VanDerWaalsContact CB-CZ 3.41Å; K394-F621 HydrophobicContact CD-CD1 3.96Å; K394-F621 HydrophobicContact CD-CE1 3.86Å; K394-F621 HydrophobicContact CG-CE1 4.34Å; V395-F621 HydrophobicContact CG2-CZ 3.77Å; Y488-F621 HydrophobicContact CE2-CE1 4.21Å; Y488-F621 WeakPolarHBondContact OH-CD1 3.48Å; Y488-F621 WeakPolarHBondContact OH-CE1 3.48Å; E619-F621 VanDerWaalsContact C-N 3.29Å; E619-F621 PolarHBondContact O-N 2.89Å; F621-L626 HydrophobicContact CB-CB 4.3Å; F621-L626 HydrophobicContact CB-CD1 4.37Å; F621-L626 HydrophobicContact CD1-CB 4.46Å; F621-L626 HydrophobicContact CD1-CD1 3.32Å; F621-L626 HydrophobicContact CE1-CD1 3.66Å; F621-L626 HydrophobicContact CG-CB 4.24Å; F621-L626 HydrophobicContact CG-CD1 3.93Å; F621-K627 WeakPolarHBondContact O-CE 3.49Å; F621-K627 PolarHBondContact O-NZ 3.04Å; F621-I630 HydrophobicContact CD2-CD1 4.22Å
622D90.1Very high95.2Very high41 Ų4150.1 Ų50.122%0.21926%0.264CS..  trans-97.3-22.6170.6-71.8-15000111.9V98 G116 P624V98-D622 VanDerWaalsContact CB-OD1 3.3Å; V98-D622 WeakPolarHBondContact CB-OD1 3.16Å; V98-D622 WeakPolarHBondContact CB-OD2 3.49Å; G116-D622 VanDerWaalsContact CA-CG 3.41Å; G116-D622 WeakPolarHBondContact CA-OD2 3.26Å; G116-D622 PolarHBondContact N-OD2 2.64Å; D622-P624 WeakPolarHBondContact O-CD 3.48Å
623E94.8Very high95.3Very high10 Ų1048.8 Ų48.85%0.04726%0.255CS..  trans-65.3120-173.9-60.896.3140.100111.5K117 G118 Y487 Y488 A625 L626 K627K117-E623 WeakPolarHBondContact CA-OE1 3.4Å; K117-E623 HydrophobicContact CG-CG 4.16Å; K117-E623 WeakPolarHBondContact CG-OE1 3.37Å; G118-E623 PolarHBondContact N-OE1 3.26Å; Y487-E623 HydrophobicContact CE1-CB 4.46Å; Y487-E623 HydrophobicContact CE1-CG 4.18Å; Y488-E623 PolarHBondContact OH-OE1 3.09Å; E623-A625 VanDerWaalsContact C-N 3.26Å; E623-A625 PolarHBondContact O-N 2.71Å; E623-L626 HydrophobicContact CB-CB 4.31Å; E623-L626 HydrophobicContact CB-CD1 3.88Å; E623-L626 HydrophobicContact CB-CG 3.87Å; E623-L626 HydrophobicContact CG-CD1 4.2Å; E623-L626 PolarHBondContact O-N 3.05Å; E623-L626 VanDerWaalsContact O-N 3.13Å; E623-K627 PolarHBondContact O-N 2.78Å
624P94.9Very high95.4Very high105 Ų10551.7 Ų51.768%0.68227%0.268SS*.Hα-helixtrans-59-35.3-178.7-27.335.5000113.8D622 L626 K627 Q628D622-P624 WeakPolarHBondContact O-CD 3.48Å; P624-L626 VanDerWaalsContact C-N 3.34Å; P624-L626 PolarHBondContact O-N 3.33Å; P624-K627 PolarHBondContact O-N 3.08Å; P624-Q628 WeakPolarHBondContact O-CB 3.43Å; P624-Q628 PolarHBondContact O-N 2.78Å
625A96.6Very high95.5Very high41 Ų4154.3 Ų54.334%0.33929%0.289SS..Hα-helixtrans-60.8-42.2177.700000111.9Y487 E623 Q628 M629Y487-A625 HydrophobicContact CD2-CB 4.28Å; Y487-A625 HydrophobicContact CE2-CB 3.7Å; E623-A625 VanDerWaalsContact C-N 3.26Å; E623-A625 PolarHBondContact O-N 2.71Å; A625-Q628 WeakPolarHBondContact O-CB 3.26Å; A625-Q628 PolarHBondContact O-N 2.74Å; A625-M629 WeakPolarHBondContact O-CG 3.43Å; A625-M629 PolarHBondContact O-N 2.61Å
626L95.7Very high95.6Very high0 Ų055.1 Ų55.10%029%0.289CS..Hα-helixtrans-71.7-37.9-179.9-57-177.5000111.6M484 Y487 Y488 F621 E623 P624 Q628 M629 I630M484-L626 HydrophobicContact CE-CB 4.21Å; M484-L626 HydrophobicContact CE-CD2 4.36Å; M484-L626 HydrophobicContact SD-CB 4.41Å; M484-L626 HydrophobicContact SD-CD2 3.73Å; M484-L626 HydrophobicContact SD-CG 4.47Å; Y487-L626 HydrophobicContact CD1-CD1 4.14Å; Y487-L626 HydrophobicContact CD1-CD2 3.63Å; Y487-L626 HydrophobicContact CD1-CG 4.13Å; Y487-L626 HydrophobicContact CD2-CD2 4.12Å; Y487-L626 HydrophobicContact CE1-CD1 4.11Å; Y487-L626 HydrophobicContact CE1-CD2 4.12Å; Y487-L626 HydrophobicContact CE1-CG 4.14Å; Y487-L626 HydrophobicContact CG-CD2 3.62Å; Y487-L626 HydrophobicContact CG-CG 4.49Å; Y488-L626 HydrophobicContact CE2-CD1 3.6Å; Y488-L626 HydrophobicContact CE2-CD2 4.42Å; Y488-L626 WeakPolarHBondContact OH-CD1 3.49Å; F621-L626 HydrophobicContact CB-CB 4.3Å; F621-L626 HydrophobicContact CB-CD1 4.37Å; F621-L626 HydrophobicContact CD1-CB 4.46Å; F621-L626 HydrophobicContact CD1-CD1 3.32Å; F621-L626 HydrophobicContact CE1-CD1 3.66Å; F621-L626 HydrophobicContact CG-CB 4.24Å; F621-L626 HydrophobicContact CG-CD1 3.93Å; E623-L626 HydrophobicContact CB-CB 4.31Å; E623-L626 HydrophobicContact CB-CD1 3.88Å; E623-L626 HydrophobicContact CB-CG 3.87Å; E623-L626 HydrophobicContact CG-CD1 4.2Å; E623-L626 PolarHBondContact O-N 3.05Å; E623-L626 VanDerWaalsContact O-N 3.13Å; P624-L626 VanDerWaalsContact C-N 3.34Å; P624-L626 PolarHBondContact O-N 3.33Å; L626-Q628 PolarHBondContact O-N 3.12Å; L626-M629 HydrophobicContact CD2-CE 4.35Å; L626-M629 HydrophobicContact CD2-SD 3.64Å; L626-M629 PolarHBondContact O-N 2.76Å; L626-I630 WeakPolarHBondContact O-CG1 3.41Å; L626-I630 PolarHBondContact O-N 2.92Å
627K95.1Very high95.7Very high69 Ų6954.1 Ų54.130%0.329%0.286SS..Hα-helixtrans-60.9-33.8171.4-63.8-170.1-176-164.70111.9E619 F621 E623 P624 K631E619-K627 IonicContact OE2-NZ 3.49Å; E619-K627 PolarHBondContact OE2-NZ 3.18Å; F621-K627 WeakPolarHBondContact O-CE 3.49Å; F621-K627 PolarHBondContact O-NZ 3.04Å; E623-K627 PolarHBondContact O-N 2.78Å; P624-K627 PolarHBondContact O-N 3.08Å; K627-K631 WeakPolarHBondContact O-CG 3.23Å; K627-K631 PolarHBondContact O-N 2.82Å
628Q97.1Very high96Very high88 Ų8853 Ų5341%0.41128%0.28SS..Hα-helixtrans-71.9-44.1176.1-177.354.639.800111.7P624 A625 L626 I630 K631 E632P624-Q628 WeakPolarHBondContact O-CB 3.43Å; P624-Q628 PolarHBondContact O-N 2.78Å; A625-Q628 WeakPolarHBondContact O-CB 3.26Å; A625-Q628 PolarHBondContact O-N 2.74Å; L626-Q628 PolarHBondContact O-N 3.12Å; Q628-I630 VanDerWaalsContact C-N 3.29Å; Q628-I630 PolarHBondContact O-N 2.96Å; Q628-K631 WeakPolarHBondContact O-CB 3.3Å; Q628-K631 PolarHBondContact O-N 3.01Å; Q628-E632 WeakPolarHBondContact CG-OE1 3.07Å; Q628-E632 PolarHBondContact NE2-OE1 3.39Å; Q628-E632 PolarHBondContact O-N 2.87Å
629M97.5Very high96.3Very high37 Ų3756.1 Ų56.118%0.18229%0.29CS..Hα-helixtrans-57.9-39.8173.4-67.1167.6-176.300112.3A483 M484 Y487 A625 L626 K631 E632 F633A483-M629 HydrophobicContact CB-CE 4.34Å; A483-M629 HydrophobicContact CB-CG 4.4Å; A483-M629 HydrophobicContact CB-SD 4Å; M484-M629 HydrophobicContact CE-CB 3.87Å; M484-M629 HydrophobicContact CE-SD 4.36Å; M484-M629 HydrophobicContact SD-SD 4.46Å; Y487-M629 HydrophobicContact CD2-CE 4.25Å; A625-M629 WeakPolarHBondContact O-CG 3.43Å; A625-M629 PolarHBondContact O-N 2.61Å; L626-M629 HydrophobicContact CD2-CE 4.35Å; L626-M629 HydrophobicContact CD2-SD 3.64Å; L626-M629 PolarHBondContact O-N 2.76Å; M629-K631 VanDerWaalsContact C-N 3.35Å; M629-K631 PolarHBondContact O-N 2.84Å; M629-E632 PolarHBondContact O-N 3.17Å; M629-F633 PolarHBondContact O-N 2.81Å
630I97.9Very high96.6Very high22 Ų2251.9 Ų51.911%0.11327%0.27CS..Hα-helixtrans-61-43174.1-71.6166.5000111.2Y480 M484 Y616 F621 L626 Q628 E632 F633 Q634Y480-I630 HydrophobicContact CE2-CG1 3.96Å; M484-I630 HydrophobicContact CE-CD1 4.37Å; M484-I630 HydrophobicContact CE-CG1 3.82Å; Y616-I630 HydrophobicContact CD2-CB 4.5Å; Y616-I630 HydrophobicContact CD2-CD1 3.99Å; Y616-I630 HydrophobicContact CD2-CG1 4.05Å; Y616-I630 HydrophobicContact CD2-CG2 3.65Å; Y616-I630 HydrophobicContact CE2-CD1 4.46Å; Y616-I630 HydrophobicContact CE2-CG1 4.11Å; Y616-I630 HydrophobicContact CE2-CG2 4.04Å; F621-I630 HydrophobicContact CD2-CD1 4.22Å; L626-I630 WeakPolarHBondContact O-CG1 3.41Å; L626-I630 PolarHBondContact O-N 2.92Å; Q628-I630 VanDerWaalsContact C-N 3.29Å; Q628-I630 PolarHBondContact O-N 2.96Å; I630-E632 VanDerWaalsContact C-N 3.34Å; I630-F633 PolarHBondContact O-N 3.25Å; I630-Q634 HydrophobicContact CG2-CG 4.43Å; I630-Q634 WeakPolarHBondContact O-CB 3.38Å; I630-Q634 VanDerWaalsContact O-CG 3.22Å; I630-Q634 WeakPolarHBondContact O-CG 3.46Å; I630-Q634 PolarHBondContact O-N 2.95Å
631K97.7Very high96.9Very high127 Ų12752.2 Ų52.255%0.55228%0.275SS*.Hα-helixtrans-65.5-38178.1-73.2174.8-179.6179.50112.4K627 Q628 M629 Q634 A635K627-K631 WeakPolarHBondContact O-CG 3.23Å; K627-K631 PolarHBondContact O-N 2.82Å; Q628-K631 WeakPolarHBondContact O-CB 3.3Å; Q628-K631 PolarHBondContact O-N 3.01Å; M629-K631 VanDerWaalsContact C-N 3.35Å; M629-K631 PolarHBondContact O-N 2.84Å; K631-Q634 PolarHBondContact O-N 2.86Å; K631-A635 PolarHBondContact O-N 2.93Å
632E98.1Very high97.1Very high108 Ų10858.2 Ų58.251%0.50530%0.303SS..Hα-helixtrans-63.8-47175.2-74.1159.4-164.900110.6Q628 M629 I630 Q634 A635 E636Q628-E632 WeakPolarHBondContact CG-OE1 3.07Å; Q628-E632 PolarHBondContact NE2-OE1 3.39Å; Q628-E632 PolarHBondContact O-N 2.87Å; M629-E632 PolarHBondContact O-N 3.17Å; I630-E632 VanDerWaalsContact C-N 3.34Å; E632-Q634 VanDerWaalsContact C-N 3.34Å; E632-Q634 PolarHBondContact O-N 2.76Å; E632-A635 WeakPolarHBondContact O-CB 3.47Å; E632-A635 PolarHBondContact O-N 2.84Å; E632-A635 VanDerWaalsContact O-N 3.09Å; E632-E636 PolarHBondContact O-N 3.35Å; E632-E636 VanDerWaalsContact O-N 3.1Å
633F98.4Very high97.5Very high9 Ų959 Ų594%0.03931%0.306CS..Hα-helixtrans-58.7-43.1173.8178.5-127000112.5L477 Y480 L613 M629 I630 A635 E636 L637L477-F633 HydrophobicContact CD2-CE1 4.32Å; L477-F633 HydrophobicContact CD2-CE2 4.02Å; L477-F633 HydrophobicContact CD2-CZ 3.49Å; L477-F633 VanDerWaalsContact CD2-CZ 3.49Å; L477-F633 HydrophobicContact CG-CE2 4.38Å; L477-F633 HydrophobicContact CG-CZ 4.23Å; Y480-F633 HydrophobicContact CD2-CB 3.74Å; Y480-F633 HydrophobicContact CD2-CD1 4.16Å; Y480-F633 AromaticContact CD2-CG 3.97Å; Y480-F633 HydrophobicContact CD2-CG 3.97Å; Y480-F633 HydrophobicContact CE2-CB 4.36Å; Y480-F633 HydrophobicContact CE2-CD1 4.38Å; Y480-F633 HydrophobicContact CG-CB 4.25Å; Y480-F633 HydrophobicContact CG-CD1 4.2Å; Y480-F633 HydrophobicContact CG-CD2 4.37Å; Y480-F633 HydrophobicContact CG-CG 4.03Å; L613-F633 HydrophobicContact CD2-CZ 4.49Å; L613-F633 HydrophobicContact CG-CZ 4.27Å; M629-F633 PolarHBondContact O-N 2.81Å; I630-F633 PolarHBondContact O-N 3.25Å; F633-A635 VanDerWaalsContact C-N 3.29Å; F633-A635 PolarHBondContact O-N 2.83Å; F633-E636 PolarHBondContact O-N 2.86Å; F633-L637 HydrophobicContact CD1-CD1 4.22Å; F633-L637 HydrophobicContact CD2-CG 4.3Å; F633-L637 HydrophobicContact CE1-CD1 3.73Å; F633-L637 HydrophobicContact CE1-CG 4.45Å; F633-L637 HydrophobicContact CE2-CD1 4.06Å; F633-L637 HydrophobicContact CE2-CD2 3.93Å; F633-L637 HydrophobicContact CE2-CG 3.91Å; F633-L637 HydrophobicContact CZ-CD1 3.62Å; F633-L637 HydrophobicContact CZ-CD2 4.06Å; F633-L637 HydrophobicContact CZ-CG 3.99Å; F633-L637 WeakPolarHBondContact O-CG 3.44Å; F633-L637 PolarHBondContact O-N 2.88Å
634Q98.5Very high97.7Very high66 Ų6658.6 Ų58.631%0.30830%0.304SS..Hα-helixtrans-61.7-35175.3-73.7166.9-6.500113.1G614 I630 K631 E632 S638G614-Q634 VanDerWaalsContact O-CG 3.29Å; G614-Q634 WeakPolarHBondContact O-CG 3.5Å; G614-Q634 PolarHBondContact O-NE2 3.38Å; I630-Q634 HydrophobicContact CG2-CG 4.43Å; I630-Q634 WeakPolarHBondContact O-CB 3.38Å; I630-Q634 VanDerWaalsContact O-CG 3.22Å; I630-Q634 WeakPolarHBondContact O-CG 3.46Å; I630-Q634 PolarHBondContact O-N 2.95Å; K631-Q634 PolarHBondContact O-N 2.86Å; E632-Q634 VanDerWaalsContact C-N 3.34Å; E632-Q634 PolarHBondContact O-N 2.76Å; Q634-S638 WeakPolarHBondContact O-CB 3.47Å; Q634-S638 PolarHBondContact O-N 2.74Å; Q634-S638 PolarHBondContact O-OG 2.84Å
635A98.4Very high97.8Very high55 Ų5556.1 Ų56.146%0.45529%0.292SS..Hα-helixtrans-67.9-44.6177.100000111.4K631 E632 F633 L637 S638 Y639K631-A635 PolarHBondContact O-N 2.93Å; E632-A635 WeakPolarHBondContact O-CB 3.47Å; E632-A635 PolarHBondContact O-N 2.84Å; E632-A635 VanDerWaalsContact O-N 3.09Å; F633-A635 VanDerWaalsContact C-N 3.29Å; F633-A635 PolarHBondContact O-N 2.83Å; A635-L637 PolarHBondContact O-N 3.37Å; A635-S638 WeakPolarHBondContact O-CB 3.27Å; A635-S638 PolarHBondContact O-N 3.05Å; A635-S638 VanDerWaalsContact O-N 3.17Å; A635-Y639 PolarHBondContact O-N 3.44Å
636E98.4Very high97.9Very high79 Ų7958.5 Ų58.537%0.36930%0.302SS..Hα-helixtrans-60.4-43.7175.2-69-59.6149.900112Y476 E632 F633 S638 Y639 L640Y476-E636 HydrophobicContact CD1-CB 3.91Å; Y476-E636 HydrophobicContact CD1-CG 4.08Å; Y476-E636 HydrophobicContact CD2-CB 4.2Å; Y476-E636 HydrophobicContact CE1-CB 3.95Å; Y476-E636 HydrophobicContact CE1-CG 4.06Å; Y476-E636 WeakPolarHBondContact CE1-OE2 3.36Å; Y476-E636 HydrophobicContact CE2-CB 4.26Å; Y476-E636 HydrophobicContact CG-CB 4.01Å; Y476-E636 PolarHBondContact OH-OE2 2.94Å; E632-E636 PolarHBondContact O-N 3.35Å; E632-E636 VanDerWaalsContact O-N 3.1Å; F633-E636 PolarHBondContact O-N 2.86Å; E636-S638 VanDerWaalsContact C-N 3.32Å; E636-S638 PolarHBondContact O-N 3.41Å; E636-Y639 PolarHBondContact O-N 2.94Å; E636-L640 PolarHBondContact O-N 3.41Å
637L98.7Very high98Very high8 Ų860.8 Ų60.84%0.04231%0.311CS..Hα-helixtrans-62.3-38.8174.8-68.2-178.1000112.4L473 L613 F633 A635 L640 S641 P660L473-L637 HydrophobicContact CD2-CD2 3.62Å; L613-L637 HydrophobicContact CB-CD1 4.41Å; L613-L637 HydrophobicContact CD2-CD1 4.47Å; L613-L637 HydrophobicContact CD2-CD2 4.26Å; L613-L637 HydrophobicContact CG-CD1 4.04Å; L613-L637 VanDerWaalsContact O-CD1 3.23Å; L613-L637 WeakPolarHBondContact O-CD1 3.11Å; F633-L637 HydrophobicContact CD1-CD1 4.22Å; F633-L637 HydrophobicContact CD2-CG 4.3Å; F633-L637 HydrophobicContact CE1-CD1 3.73Å; F633-L637 HydrophobicContact CE1-CG 4.45Å; F633-L637 HydrophobicContact CE2-CD1 4.06Å; F633-L637 HydrophobicContact CE2-CD2 3.93Å; F633-L637 HydrophobicContact CE2-CG 3.91Å; F633-L637 HydrophobicContact CZ-CD1 3.62Å; F633-L637 HydrophobicContact CZ-CD2 4.06Å; F633-L637 HydrophobicContact CZ-CG 3.99Å; F633-L637 WeakPolarHBondContact O-CG 3.44Å; F633-L637 PolarHBondContact O-N 2.88Å; A635-L637 PolarHBondContact O-N 3.37Å; L637-L640 PolarHBondContact O-N 2.71Å; L637-S641 PolarHBondContact O-N 3.02Å; L637-P660 HydrophobicContact CB-CB 3.94Å; L637-P660 HydrophobicContact CB-CG 4.27Å; L637-P660 HydrophobicContact CD2-CB 4.21Å; L637-P660 HydrophobicContact CD2-CG 4.13Å; L637-P660 WeakPolarHBondContact O-CG 3.32Å
638S98.3Very high98.1Very high70 Ų7058.4 Ų58.449%0.4930%0.302SS..Hα-helixtrans-65.8-44.8177.6-59.40000111Q634 A635 E636 L640 S641 E642Q634-S638 WeakPolarHBondContact O-CB 3.47Å; Q634-S638 PolarHBondContact O-N 2.74Å; Q634-S638 PolarHBondContact O-OG 2.84Å; A635-S638 WeakPolarHBondContact O-CB 3.27Å; A635-S638 PolarHBondContact O-N 3.05Å; A635-S638 VanDerWaalsContact O-N 3.17Å; E636-S638 VanDerWaalsContact C-N 3.32Å; E636-S638 PolarHBondContact O-N 3.41Å; S638-L640 PolarHBondContact O-N 2.71Å; S638-S641 WeakPolarHBondContact O-CB 3.46Å; S638-S641 PolarHBondContact O-N 3.15Å; S638-E642 PolarHBondContact O-N 2.95Å
639Y98.3Very high98.1Very high123 Ų12358.7 Ų58.748%0.48231%0.313SS..Hα-helixtrans-58.5-46.4175.6177.2-98.6000111.7A635 E636 S641 E642 E643A635-Y639 PolarHBondContact O-N 3.44Å; E636-Y639 PolarHBondContact O-N 2.94Å; Y639-S641 VanDerWaalsContact C-N 3.32Å; Y639-S641 PolarHBondContact O-N 2.89Å; Y639-E642 WeakPolarHBondContact O-CB 3.43Å; Y639-E642 PolarHBondContact O-N 3.34Å; Y639-E643 HydrophobicContact CD1-CG 4.27Å; Y639-E643 HydrophobicContact CE1-CG 3.73Å; Y639-E643 WeakPolarHBondContact CE1-OE1 3.41Å; Y639-E643 HydrophobicContact CE2-CG 4.5Å; Y639-E643 VanDerWaalsContact CZ-OE1 3.27Å; Y639-E643 PolarHBondContact O-N 2.83Å; Y639-E643 PolarHBondContact OH-OE1 2.87Å
640L98.6Very high98.1Very high0 Ų064.4 Ų64.40%034%0.339CS..Hα-helixtrans-62.4-37.9176.318059.9000112.6K472 L473 Y476 E636 L637 S638 E642 E643 I644 P660K472-L640 HydrophobicContact CB-CD1 4.28Å; K472-L640 HydrophobicContact CB-CD2 4.2Å; K472-L640 HydrophobicContact CD-CD1 3.58Å; L473-L640 HydrophobicContact CD1-CD2 4.39Å; L473-L640 HydrophobicContact CD2-CD2 3.66Å; L473-L640 HydrophobicContact CG-CD2 3.61Å; Y476-L640 HydrophobicContact CD2-CD2 4.41Å; Y476-L640 HydrophobicContact CE2-CB 4.06Å; Y476-L640 HydrophobicContact CE2-CD2 4.06Å; E636-L640 PolarHBondContact O-N 3.41Å; L637-L640 PolarHBondContact O-N 2.71Å; S638-L640 PolarHBondContact O-N 2.71Å; L640-E642 VanDerWaalsContact C-N 3.26Å; L640-E642 PolarHBondContact O-N 3.28Å; L640-E643 PolarHBondContact O-N 2.85Å; L640-I644 HydrophobicContact CD1-CD1 3.98Å; L640-I644 HydrophobicContact CD1-CG1 3.96Å; L640-I644 HydrophobicContact CD2-CD1 4.35Å; L640-I644 HydrophobicContact CG-CD1 3.81Å; L640-I644 HydrophobicContact CG-CG1 4.22Å; L640-I644 WeakPolarHBondContact O-CB 3.41Å; L640-I644 VanDerWaalsContact O-CG1 3.27Å; L640-I644 WeakPolarHBondContact O-CG1 3.45Å; L640-I644 PolarHBondContact O-N 2.97Å; L640-P660 HydrophobicContact CB-CG 4.34Å; L640-P660 HydrophobicContact CD2-CG 4.18Å; L640-P660 HydrophobicContact CG-CG 4.32Å
641S98.5Very high97.9Very high28 Ų2865.3 Ų65.320%0.19634%0.344CS..Hα-helixtrans-58.3-40.8176.3-168.80000111.8L637 S638 Y639 A645 N659L637-S641 PolarHBondContact O-N 3.02Å; S638-S641 WeakPolarHBondContact O-CB 3.46Å; S638-S641 PolarHBondContact O-N 3.15Å; Y639-S641 VanDerWaalsContact C-N 3.32Å; Y639-S641 PolarHBondContact O-N 2.89Å; S641-A645 WeakPolarHBondContact O-CB 3.18Å; S641-A645 PolarHBondContact O-N 3.27Å; S641-N659 VanDerWaalsContact OG-CG 3.3Å; S641-N659 PolarHBondContact OG-ND2 3.2Å; S641-N659 VanDerWaalsContact OG-ND2 3.16Å; S641-N659 PolarHBondContact OG-OD1 2.88Å
642E98.3Very high97.6Very high136 Ų13666.1 Ų66.164%0.63635%0.348SS*.Hα-helixtrans-67.5-46175.6-66179.7-176.100112S638 Y639 L640 I644 A645 V646S638-E642 PolarHBondContact O-N 2.95Å; Y639-E642 WeakPolarHBondContact O-CB 3.43Å; Y639-E642 PolarHBondContact O-N 3.34Å; L640-E642 VanDerWaalsContact C-N 3.26Å; L640-E642 PolarHBondContact O-N 3.28Å; E642-I644 VanDerWaalsContact C-N 3.32Å; E642-I644 PolarHBondContact O-N 2.96Å; E642-A645 WeakPolarHBondContact O-CB 3.33Å; E642-A645 PolarHBondContact O-N 3.15Å; E642-A645 VanDerWaalsContact O-N 3.14Å; E642-V646 WeakPolarHBondContact O-CG2 3.44Å; E642-V646 PolarHBondContact O-N 2.94Å
643E98.3Very high97.4Very high58 Ų5861.6 Ų61.627%0.27133%0.327SS..Hα-helixtrans-58-44.9176.5-71.3-166.3137.800111.9K472 Y639 L640 A645 V646 R647K472-E643 IonicContact NZ-OE1 3.93Å; K472-E643 IonicContact NZ-OE2 3.12Å; K472-E643 PolarHBondContact NZ-OE2 3Å; Y639-E643 HydrophobicContact CD1-CG 4.27Å; Y639-E643 HydrophobicContact CE1-CG 3.73Å; Y639-E643 WeakPolarHBondContact CE1-OE1 3.41Å; Y639-E643 HydrophobicContact CE2-CG 4.5Å; Y639-E643 VanDerWaalsContact CZ-OE1 3.27Å; Y639-E643 PolarHBondContact O-N 2.83Å; Y639-E643 PolarHBondContact OH-OE1 2.87Å; L640-E643 PolarHBondContact O-N 2.85Å; E643-A645 VanDerWaalsContact C-N 3.33Å; E643-A645 PolarHBondContact O-N 3.11Å; E643-V646 PolarHBondContact O-N 3.4Å; E643-R647 WeakPolarHBondContact O-CB 3.43Å; E643-R647 PolarHBondContact O-N 3Å
644I98.5Very high97.3Very high2 Ų262.7 Ų62.71%0.0134%0.335CS..Hα-helixtrans-62.5-41.9177-70.2176.7000110.4D469 L640 E642 R647 N648 L658 N659D469-I644 HydrophobicContact CB-CD1 4.23Å; L640-I644 HydrophobicContact CD1-CD1 3.98Å; L640-I644 HydrophobicContact CD1-CG1 3.96Å; L640-I644 HydrophobicContact CD2-CD1 4.35Å; L640-I644 HydrophobicContact CG-CD1 3.81Å; L640-I644 HydrophobicContact CG-CG1 4.22Å; L640-I644 WeakPolarHBondContact O-CB 3.41Å; L640-I644 VanDerWaalsContact O-CG1 3.27Å; L640-I644 WeakPolarHBondContact O-CG1 3.45Å; L640-I644 PolarHBondContact O-N 2.97Å; E642-I644 VanDerWaalsContact C-N 3.32Å; E642-I644 PolarHBondContact O-N 2.96Å; I644-R647 PolarHBondContact O-N 3.38Å; I644-N648 WeakPolarHBondContact CG2-ND2 3.32Å; I644-N648 WeakPolarHBondContact O-CB 3.26Å; I644-N648 PolarHBondContact O-N 3.12Å; I644-N648 PolarHBondContact O-ND2 3.49Å; I644-L658 WeakPolarHBondContact CD1-O 3.01Å; I644-N659 HydrophobicContact CG2-CB 4.18Å
645A97.8Very high97.2Very high53 Ų5359.6 Ų59.644%0.43832%0.32SS..Hα-helixtrans-63.3-43.8178.100000112S641 E642 E643 N648 S649S641-A645 WeakPolarHBondContact O-CB 3.18Å; S641-A645 PolarHBondContact O-N 3.27Å; E642-A645 WeakPolarHBondContact O-CB 3.33Å; E642-A645 PolarHBondContact O-N 3.15Å; E642-A645 VanDerWaalsContact O-N 3.14Å; E643-A645 VanDerWaalsContact C-N 3.33Å; E643-A645 PolarHBondContact O-N 3.11Å; A645-N648 PolarHBondContact O-N 2.94Å; A645-S649 PolarHBondContact O-N 3.13Å
646V98.3Very high97Very high90 Ų9060.8 Ų60.855%0.54532%0.317SS..Hα-helixtrans-61.8-50.7176.2172.40000110.6E642 E643 N648 S649E642-V646 WeakPolarHBondContact O-CG2 3.44Å; E642-V646 PolarHBondContact O-N 2.94Å; E643-V646 PolarHBondContact O-N 3.4Å; V646-N648 VanDerWaalsContact C-N 3.35Å; V646-N648 PolarHBondContact O-N 3.37Å; V646-S649 PolarHBondContact O-N 3.44Å; V646-S649 PolarHBondContact O-OG 2.96Å
647R98Very high96.9Very high48 Ų4857.2 Ų57.218%0.18130%0.3CS..Hα-helixtrans-57.5-47.6177.5-178.2-90.8-48.7-84.7-0.6111D469 E643 I644 S649 Q650 L651D469-R647 IonicContact OD1-CZ 3.82Å; D469-R647 VanDerWaalsContact OD1-CZ 3.26Å; D469-R647 IonicContact OD1-NH1 2.72Å; D469-R647 PolarHBondContact OD1-NH1 3.46Å; D469-R647 IonicContact OD1-NH2 2.83Å; D469-R647 PolarHBondContact OD1-NH2 2.92Å; D469-R647 IonicContact OD2-CZ 2.86Å; D469-R647 IonicContact OD2-NH1 2.9Å; D469-R647 IonicContact OD2-NH2 2.68Å; D469-R647 PolarHBondContact OD2-NH2 2.86Å; E643-R647 WeakPolarHBondContact O-CB 3.43Å; E643-R647 PolarHBondContact O-N 3Å; I644-R647 PolarHBondContact O-N 3.38Å; R647-S649 VanDerWaalsContact C-N 3.31Å; R647-S649 PolarHBondContact O-N 3.08Å; R647-Q650 PolarHBondContact O-N 2.83Å; R647-Q650 VanDerWaalsContact O-N 3.14Å; R647-L651 WeakPolarHBondContact O-CG 3.48Å
648N97.4Very high96.9Very high20 Ų2056.8 Ų56.811%0.10730%0.298CS..Hα-helixtrans-65.2-29.8-179-77.4-11.6000113.9I644 A645 V646 Q650 L651 P654 Y655I644-N648 WeakPolarHBondContact CG2-ND2 3.32Å; I644-N648 WeakPolarHBondContact O-CB 3.26Å; I644-N648 PolarHBondContact O-N 3.12Å; I644-N648 PolarHBondContact O-ND2 3.49Å; A645-N648 PolarHBondContact O-N 2.94Å; V646-N648 VanDerWaalsContact C-N 3.35Å; V646-N648 PolarHBondContact O-N 3.37Å; N648-Q650 PolarHBondContact O-N 2.77Å; N648-Q650 VanDerWaalsContact O-N 3.16Å; N648-L651 PolarHBondContact O-N 3.02Å; N648-P654 HydrophobicContact CB-CB 3.74Å; N648-Y655 PolarHBondContact ND2-O 3.44Å; N648-Y655 PolarHBondContact OD1-N 3.45Å; N648-Y655 VanDerWaalsContact OD1-N 3.09Å; N648-Y655 PolarHBondContact OD1-O 2.88Å
649S96.8Very high96.9Very high94 Ų9454.6 Ų54.666%0.65728%0.28SS*.Hα-helixtrans-63.4-18175.876.10000113.7A645 V646 R647A645-S649 PolarHBondContact O-N 3.13Å; V646-S649 PolarHBondContact O-N 3.44Å; V646-S649 PolarHBondContact O-OG 2.96Å; R647-S649 VanDerWaalsContact C-N 3.31Å; R647-S649 PolarHBondContact O-N 3.08Å
650Q96.6Very high96.8Very high156 Ų15649.1 Ų49.173%0.72926%0.26SS*.THydrogen-bonded Turntrans-101.5-7.6-179.2-58.1177.2-3.500112.7R647 N648R647-Q650 PolarHBondContact O-N 2.83Å; R647-Q650 VanDerWaalsContact O-N 3.14Å; N648-Q650 PolarHBondContact O-N 2.77Å; N648-Q650 VanDerWaalsContact O-N 3.16Å
651L94.8Very high96.6Very high41 Ų4152 Ų5222%0.21528%0.284CS..  trans-93142.6-177.7-62.4-173.7000111.7Y465 R647 N648 I653Y465-L651 HydrophobicContact CD2-CD1 3.92Å; Y465-L651 HydrophobicContact CE1-CD1 4.17Å; Y465-L651 HydrophobicContact CE1-CD2 4.4Å; Y465-L651 HydrophobicContact CE2-CD1 3.46Å; Y465-L651 VanDerWaalsContact CE2-CD1 3.46Å; Y465-L651 HydrophobicContact CE2-CD2 4.23Å; Y465-L651 HydrophobicContact CE2-CG 4.49Å; Y465-L651 HydrophobicContact CG-CD1 4.44Å; Y465-L651 WeakPolarHBondContact OH-CD2 3.44Å; R647-L651 WeakPolarHBondContact O-CG 3.48Å; N648-L651 PolarHBondContact O-N 3.02Å; L651-I653 VanDerWaalsContact C-N 3.27Å; L651-I653 WeakPolarHBondContact CB-O 3.31Å; L651-I653 PolarHBondContact O-N 3.38Å
652K91.1Very high96.4Very high144 Ų14452.6 Ų52.663%0.62629%0.286SS*.SBendtrans-62.7-37.8169.6-164.7-175.3-174.4-148.90111.4Y222Y222-K652 HydrophobicContact CE2-CD 3.64Å; Y222-K652 VanDerWaalsContact CE2-CE 3.47Å; Y222-K652 HydrophobicContact CE2-CG 3.87Å; Y222-K652 PolarHBondContact OH-NZ 3.33Å
653I93.6Very high96.4Very high14 Ų1446.1 Ų46.17%0.07226%0.256CS..SBendtrans-124.9109.7175.2-46.9173.4000107.1P219 Y222 F232 Y235 L651P219-I653 HydrophobicContact CB-CG2 4.47Å; P219-I653 HydrophobicContact CG-CG2 4.44Å; Y222-I653 HydrophobicContact CD1-CD1 3.38Å; Y222-I653 HydrophobicContact CD1-CG1 3.94Å; Y222-I653 HydrophobicContact CD2-CD1 4.2Å; Y222-I653 HydrophobicContact CD2-CG1 3.84Å; Y222-I653 HydrophobicContact CE1-CD1 3.22Å; Y222-I653 HydrophobicContact CE1-CG1 3.93Å; Y222-I653 HydrophobicContact CE2-CD1 4.02Å; Y222-I653 HydrophobicContact CE2-CG1 3.77Å; Y222-I653 HydrophobicContact CG-CD1 3.91Å; Y222-I653 HydrophobicContact CG-CG1 3.93Å; F232-I653 HydrophobicContact CD2-CD1 3.8Å; F232-I653 HydrophobicContact CE2-CD1 3.54Å; Y235-I653 HydrophobicContact CD1-CD1 4.4Å; Y235-I653 HydrophobicContact CE1-CD1 4.07Å; Y235-I653 HydrophobicContact CE1-CG2 4.46Å; L651-I653 VanDerWaalsContact C-N 3.27Å; L651-I653 WeakPolarHBondContact CB-O 3.31Å; L651-I653 PolarHBondContact O-N 3.38Å
654P95.4Very high96.3Very high32 Ų3244.8 Ų44.821%0.20825%0.25CC..  trans-69.4140.2179.128.6-34.5000110.9N648N648-P654 HydrophobicContact CB-CB 3.74Å
655Y96.9Very high96.2Very high0 Ų045 Ų450%025%0.251CS..  trans-98.597.5168.9-175-95.7000108.9N239 Y466 D469 N648 Y657 L658N239-Y655 HydrophobicContact CB-CD2 4.07Å; Y466-Y655 WeakPolarHBondContact CD2-OH 3.46Å; D469-Y655 WeakPolarHBondContact OD2-CD1 3.3Å; N648-Y655 PolarHBondContact ND2-O 3.44Å; N648-Y655 PolarHBondContact OD1-N 3.45Å; N648-Y655 VanDerWaalsContact OD1-N 3.09Å; N648-Y655 PolarHBondContact OD1-O 2.88Å; Y655-Y657 AromaticContact CD2-CD2 3.86Å; Y655-Y657 HydrophobicContact CD2-CD2 3.86Å; Y655-Y657 HydrophobicContact CD2-CE2 4.23Å; Y655-Y657 AromaticContact CE2-CD2 3.58Å; Y655-Y657 HydrophobicContact CE2-CD2 3.58Å; Y655-Y657 HydrophobicContact CE2-CE2 4.28Å; Y655-L658 HydrophobicContact CE1-CB 3.99Å; Y655-L658 HydrophobicContact CE1-CD1 4.05Å; Y655-L658 HydrophobicContact CE1-CG 3.9Å
656Q95Very high96.2Very high80 Ų8042.7 Ų42.737%0.37423%0.231SC..  trans-107.5-8.9-170.465.8-172.6-9.800114.1L658 N659 V662Q656-L658 PolarHBondContact O-N 2.92Å; Q656-N659 WeakPolarHBondContact O-CB 3.44Å; Q656-N659 PolarHBondContact O-N 2.83Å; Q656-V662 VanDerWaalsContact O-CG2 3.31Å; Q656-V662 WeakPolarHBondContact O-CG2 3.14Å
657Y96.3Very high96.1Very high4 Ų438.4 Ų38.42%0.01621%0.205CC..THydrogen-bonded Turntrans-67.6-22-169-49-56.1000113.4N551 D555 Y556 Y655N551-Y657 HydrophobicContact CB-CD1 3.89Å; N551-Y657 HydrophobicContact CB-CG 4.49Å; D555-Y657 WeakPolarHBondContact OD2-CE1 3.37Å; D555-Y657 PolarHBondContact OD2-OH 3.3Å; Y556-Y657 AromaticContact CE2-CE2 3.74Å; Y556-Y657 HydrophobicContact CE2-CE2 3.74Å; Y556-Y657 AromaticContact CE2-CZ 3.83Å; Y556-Y657 VanDerWaalsContact CE2-OH 3.22Å; Y556-Y657 WeakPolarHBondContact CE2-OH 3.34Å; Y655-Y657 AromaticContact CD2-CD2 3.86Å; Y655-Y657 HydrophobicContact CD2-CD2 3.86Å; Y655-Y657 HydrophobicContact CD2-CE2 4.23Å; Y655-Y657 AromaticContact CE2-CD2 3.58Å; Y655-Y657 HydrophobicContact CE2-CD2 3.58Å; Y655-Y657 HydrophobicContact CE2-CE2 4.28Å
658L98.3Very high95.9Very high0 Ų036.3 Ų36.30%020%0.198CC..THydrogen-bonded Turntrans-107.317175.2-66.4-173.2000114.1Y466 D469 A470 L473 V544 A548 I644 Y655 Q656 P660 I663Y466-L658 HydrophobicContact CD2-CD1 3.86Å; Y466-L658 HydrophobicContact CE2-CD1 4.29Å; D469-L658 HydrophobicContact CB-CB 3.89Å; D469-L658 HydrophobicContact CB-CD1 4.01Å; A470-L658 HydrophobicContact CB-CD1 3.66Å; L473-L658 HydrophobicContact CD1-CB 4.08Å; L473-L658 HydrophobicContact CD1-CD2 4.41Å; V544-L658 HydrophobicContact CG1-CD1 4.31Å; V544-L658 HydrophobicContact CG1-CD2 3.61Å; V544-L658 VanDerWaalsContact O-CD2 3.23Å; V544-L658 WeakPolarHBondContact O-CD2 3.36Å; A548-L658 HydrophobicContact CB-CD1 4.39Å; A548-L658 HydrophobicContact CB-CD2 3.76Å; A548-L658 HydrophobicContact CB-CG 4.18Å; I644-L658 WeakPolarHBondContact CD1-O 3.01Å; Y655-L658 HydrophobicContact CE1-CB 3.99Å; Y655-L658 HydrophobicContact CE1-CD1 4.05Å; Y655-L658 HydrophobicContact CE1-CG 3.9Å; Q656-L658 PolarHBondContact O-N 2.92Å; L658-P660 WeakPolarHBondContact O-CD 3.49Å; L658-I663 HydrophobicContact CB-CD1 4.43Å; L658-I663 HydrophobicContact CD2-CD1 4.1Å; L658-I663 HydrophobicContact CD2-CG1 4.42Å; L658-I663 WeakPolarHBondContact O-CD1 3.34Å
659N97.8Very high95.6Very high23 Ų2335.5 Ų35.512%0.12319%0.194CC..  trans-65.6125.5166-174-47.6000108.8S641 I644 Q656 A661 V662 I663S641-N659 VanDerWaalsContact OG-CG 3.3Å; S641-N659 PolarHBondContact OG-ND2 3.2Å; S641-N659 VanDerWaalsContact OG-ND2 3.16Å; S641-N659 PolarHBondContact OG-OD1 2.88Å; I644-N659 HydrophobicContact CG2-CB 4.18Å; Q656-N659 WeakPolarHBondContact O-CB 3.44Å; Q656-N659 PolarHBondContact O-N 2.83Å; N659-A661 PolarHBondContact O-N 3.04Å; N659-A661 WeakPolarHBondContact OD1-CB 3.47Å; N659-A661 PolarHBondContact OD1-N 3.07Å; N659-V662 HydrophobicContact CB-CG2 4.22Å; N659-V662 VanDerWaalsContact O-CG2 3.29Å; N659-V662 WeakPolarHBondContact O-CG2 3.31Å; N659-V662 PolarHBondContact O-N 2.66Å; N659-I663 PolarHBondContact O-N 2.95Å
660P97.6Very high95.5Very high8 Ų832.6 Ų32.65%0.05217%0.171CC..G310 helixtrans-51.3-29.6-179.4-32.239.6000115L473 L637 L640 L658 V662 I663L473-P660 HydrophobicContact CD2-CG 4.21Å; L637-P660 HydrophobicContact CB-CB 3.94Å; L637-P660 HydrophobicContact CB-CG 4.27Å; L637-P660 HydrophobicContact CD2-CB 4.21Å; L637-P660 HydrophobicContact CD2-CG 4.13Å; L637-P660 WeakPolarHBondContact O-CG 3.32Å; L640-P660 HydrophobicContact CB-CG 4.34Å; L640-P660 HydrophobicContact CD2-CG 4.18Å; L640-P660 HydrophobicContact CG-CG 4.32Å; L658-P660 WeakPolarHBondContact O-CD 3.49Å; P660-V662 PolarHBondContact O-N 3.03Å; P660-I663 PolarHBondContact O-N 2.95Å
661A93.8Very high95.4Very high62 Ų6226.1 Ų26.151%0.51214%0.141SC..G310 helixtrans-67.6-13.2177.500000114.4N659N659-A661 PolarHBondContact O-N 3.04Å; N659-A661 WeakPolarHBondContact OD1-CB 3.47Å; N659-A661 PolarHBondContact OD1-N 3.07Å
662V93.9Very high95.5Very high39 Ų3925.3 Ų25.324%0.23614%0.137CC..G310 helixtrans-123.32.6-179.4-51.90000113.8N551 Q656 N659 P660N551-V662 PolarHBondContact ND2-O 3.09Å; N551-V662 VanDerWaalsContact ND2-O 3.11Å; Q656-V662 VanDerWaalsContact O-CG2 3.31Å; Q656-V662 WeakPolarHBondContact O-CG2 3.14Å; N659-V662 HydrophobicContact CB-CG2 4.22Å; N659-V662 VanDerWaalsContact O-CG2 3.29Å; N659-V662 WeakPolarHBondContact O-CG2 3.31Å; N659-V662 PolarHBondContact O-N 2.66Å; P660-V662 PolarHBondContact O-N 3.03Å
663I97.5Very high95.7Very high0 Ų018.3 Ų18.30%011%0.108CC..  trans-88.9124.2172.7-60.5166.9000107.4L473 V544 A547 P612 L613 L658 N659 P660L473-I663 HydrophobicContact CD1-CD1 3.62Å; L473-I663 HydrophobicContact CD2-CD1 4.39Å; V544-I663 HydrophobicContact CG2-CD1 4.45Å; A547-I663 HydrophobicContact CB-CB 4.18Å; A547-I663 HydrophobicContact CB-CG1 3.87Å; A547-I663 HydrophobicContact CB-CG2 3.98Å; P612-I663 CarbonylContact C-O 3.29Å; P612-I663 VanDerWaalsContact CA-O 3.23Å; P612-I663 WeakPolarHBondContact CA-O 3.38Å; L613-I663 HydrophobicContact CB-CB 4.15Å; L613-I663 HydrophobicContact CB-CG2 3.99Å; L613-I663 HydrophobicContact CD2-CG2 4.15Å; L613-I663 PolarHBondContact N-O 2.93Å; L658-I663 HydrophobicContact CB-CD1 4.43Å; L658-I663 HydrophobicContact CD2-CD1 4.1Å; L658-I663 HydrophobicContact CD2-CG1 4.42Å; L658-I663 WeakPolarHBondContact O-CD1 3.34Å; N659-I663 PolarHBondContact O-N 2.95Å; P660-I663 PolarHBondContact O-N 2.95Å
664E97.1Very high95.9Very high31 Ų3118.6 Ų18.615%0.14511%0.111CC..BIsolated β-bridgetrans-79.6154.6172-79.1-171.8-125.800112.1K175 S543 V610 V611 S666 T668K175-E664 IonicContact NZ-OE2 2.68Å; S543-E664 WeakPolarHBondContact CA-O 3.44Å; S543-E664 WeakPolarHBondContact CB-O 3.45Å; V610-E664 HydrophobicContact CG1-CG 3.8Å; V611-E664 WeakPolarHBondContact O-CA 3.43Å; E664-S666 PolarHBondContact O-N 2.68Å; E664-T668 VanDerWaalsContact CD-OG1 3.24Å; E664-T668 PolarHBondContact OE1-OG1 3.22Å; E664-T668 WeakPolarHBondContact OE2-CG2 3.5Å; E664-T668 PolarHBondContact OE2-OG1 2.76Å
665N97.3Very high95.9Very high5 Ų517.7 Ų17.73%0.02710%0.104CC..SBendtrans-62.1-29.3175.2-81.1-49.8000113.4P398 H399 V611 P612 L613 G614 T615 Y616P398-N665 WeakPolarHBondContact O-CB 3.33Å; H399-N665 WeakPolarHBondContact CA-O 3.49Å; H399-N665 PolarHBondContact CE1-OD1 2.96Å; H399-N665 PolarHBondContact ND1-O 3.19Å; V611-N665 WeakPolarHBondContact CG1-ND2 3.34Å; V611-N665 PolarHBondContact O-N 3.32Å; V611-N665 VanDerWaalsContact O-N 3.14Å; P612-N665 PolarHBondContact O-ND2 3.07Å; L613-N665 VanDerWaalsContact CA-OD1 3.3Å; L613-N665 WeakPolarHBondContact CA-OD1 3.41Å; G614-N665 PolarHBondContact N-OD1 3.05Å; T615-N665 PolarHBondContact O-ND2 3.37Å; Y616-N665 WeakPolarHBondContact CE1-OD1 3.32Å
666S96.8Very high95.8Very high5 Ų518.9 Ų18.94%0.03511%0.112CC..SBendtrans-141.2174.6-174.464.70000112.1H399 N401 V542 E664 T668H399-S666 VanDerWaalsContact C-CB 3.43Å; H399-S666 WeakPolarHBondContact O-CB 3.34Å; N401-S666 WeakPolarHBondContact O-CB 3.37Å; N401-S666 PolarHBondContact O-OG 3.31Å; V542-S666 CarbonylContact O-C 3.58Å; V542-S666 WeakPolarHBondContact O-CA 3.43Å; E664-S666 PolarHBondContact O-N 2.68Å; S666-T668 PolarHBondContact O-N 2.79Å; S666-T668 WeakPolarHBondContact OG-CG2 3.37Å
667V96.8Very high95.9Very high0 Ų014.2 Ų14.20%09%0.092CC..  trans-79.8108.6172.9-178.90000108.6H372 A375 T403 I406 V542 H546H372-V667 WeakPolarHBondContact CE1-CG1 2.94Å; H372-V667 VanDerWaalsContact ND1-CG1 3.31Å; H372-V667 WeakPolarHBondContact ND1-CG1 3.47Å; A375-V667 HydrophobicContact CB-CB 4.3Å; A375-V667 HydrophobicContact CB-CG2 3.85Å; T403-V667 WeakPolarHBondContact CA-O 3.5Å; I406-V667 HydrophobicContact CG2-CG1 4.29Å; I406-V667 VanDerWaalsContact CG2-O 3.32Å; I406-V667 WeakPolarHBondContact CG2-O 3.19Å; V542-V667 HydrophobicContact CB-CG2 4.12Å; V542-V667 WeakPolarHBondContact O-CG2 3.45Å; V542-V667 PolarHBondContact O-N 3.22Å; H546-V667 HydrophobicContact CB-CG2 4.05Å
668T92.9Very high95.9Very high4 Ų415.1 Ų15.13%0.02510%0.098CC..  trans-1301.5-175.879.30000115.1F171 K175 C402 E664 S666F171-T668 WeakPolarHBondContact CZ-O 3.43Å; K175-T668 VanDerWaalsContact NZ-CB 3.31Å; K175-T668 PolarHBondContact NZ-OG1 3.27Å; C402-T668 HydrophobicContact CB-CG2 3.97Å; E664-T668 VanDerWaalsContact CD-OG1 3.24Å; E664-T668 PolarHBondContact OE1-OG1 3.22Å; E664-T668 WeakPolarHBondContact OE2-CG2 3.5Å; E664-T668 PolarHBondContact OE2-OG1 2.76Å; S666-T668 PolarHBondContact O-N 2.79Å; S666-T668 WeakPolarHBondContact OG-CG2 3.37Å
669I90.6Very high95.6Very high4 Ų416.5 Ų16.52%0.02111%0.107CC..  trans-1400174.2-174.453.3000110.4Y179 H372 I406 H546 N550 I602 L603 Y607Y179-I669 HydrophobicContact CD2-CD1 4.02Å; Y179-I669 HydrophobicContact CE2-CD1 3.66Å; H372-I669 PolarHBondContact CE1-O 3.41Å; I406-I669 HydrophobicContact CD1-CD1 4.25Å; I406-I669 WeakPolarHBondContact CD1-OXT 3.09Å; I406-I669 VanDerWaalsContact CG1-C 3.5Å; I406-I669 WeakPolarHBondContact CG1-OXT 3.46Å; H546-I669 PolarHBondContact NE2-O 3.1Å; N550-I669 WeakPolarHBondContact ND2-CG2 3.26Å; I602-I669 HydrophobicContact CG2-CD1 4.47Å; I602-I669 WeakPolarHBondContact O-CD1 3.38Å; L603-I669 WeakPolarHBondContact O-CG1 3.49Å; Y607-I669 HydrophobicContact CE2-CB 4.39Å; Y607-I669 HydrophobicContact CE2-CD1 3.66Å; Y607-I669 HydrophobicContact CE2-CG1 4.02Å

Retrieved 669 of 669 residues in 250.7 ms (Link to these results)

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