A0A087WTC6_HUMAN Loading...

Meiotic nuclear divisions 1

AlphaFold DB , UniProt , Accession A0A087WTC6, Species HUMAN (Homo sapiens, Human), Gene MND1, Length 122 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
1M39.1Very low66.9Low239 Ų239132.3 Ų132.3100%1.17770%0.702SS**  087.80-65.7-66.3-100.200108.5K3M1-K3 PolarHBondContact O-N 3.2Å
2S46.9Very low68.9Low122 Ų122124.6 Ų124.685%0.85366%0.658SS**  trans-64123.2-176.8-61.20000109.9K4S2-K4 PolarHBondContact O-N 3.25Å; S2-K4 VanDerWaalsContact O-N 3.07Å
3K47.1Very low70.6Confident202 Ų202119.8 Ų119.888%0.87863%0.626SS**  trans-52.3117.3174.2-72.2177.4178.3175.80107.7M1 K5M1-K3 PolarHBondContact O-N 3.2Å; K3-K5 PolarHBondContact O-N 3.35Å
4K50.9Low71.9Confident209 Ų209116.8 Ų116.891%0.90962%0.615SS**  trans-55.7104.4175.7-74.5-179.4177.3174.50107.4S2 G6S2-K4 PolarHBondContact O-N 3.25Å; S2-K4 VanDerWaalsContact O-N 3.07Å; K4-G6 PolarHBondContact O-N 3.21Å
5K62.7Low73.2Confident205 Ų205115.3 Ų115.389%0.89160%0.597SS**PPolyproline II helixtrans-59.2125174.9-148.4174.7-177-1770106.1K3K3-K5 PolarHBondContact O-N 3.35Å
6G66.9Low74.3Confident65 Ų65108.1 Ų108.167%0.6756%0.56SS**PPolyproline II helixtrans-58.6145.9175.300000109.8K4 S8K4-G6 PolarHBondContact O-N 3.21Å; G6-S8 PolarHBondContact O-N 2.91Å
7L78.4Confident75.2Confident40 Ų40103.9 Ų103.921%0.20954%0.538CS..PPolyproline II helixtrans-57.6129.7176.5-74.3156.8000110E11 K12 R15 G41L7-E11 WeakPolarHBondContact CA-OE2 3.45Å; L7-E11 HydrophobicContact CB-CB 4.41Å; L7-E11 HydrophobicContact CD2-CB 3.69Å; L7-E11 HydrophobicContact CD2-CG 4.49Å; L7-K12 HydrophobicContact CB-CG 3.83Å; L7-K12 WeakPolarHBondContact O-CE 3.48Å; L7-R15 VanDerWaalsContact CD2-CZ 3.42Å; L7-G41 WeakPolarHBondContact CD1-O 3.47Å
8S86.4Confident76Confident53 Ų53101.9 Ų101.937%0.37153%0.526SS..PPolyproline II helixtrans-65.3162.9170.886.70000110.7G6 E10 E11 K12G6-S8 PolarHBondContact O-N 2.91Å; S8-E10 PolarHBondContact O-N 2.82Å; S8-E10 PolarHBondContact OG-N 3.28Å; S8-E11 PolarHBondContact N-OE2 2.8Å; S8-E11 PolarHBondContact O-N 3.14Å; S8-E11 WeakPolarHBondContact OG-CG 3.43Å; S8-E11 PolarHBondContact OG-N 2.84Å; S8-E11 VanDerWaalsContact OG-N 3.11Å; S8-K12 WeakPolarHBondContact O-CG 3.35Å; S8-K12 PolarHBondContact O-N 2.95Å
9A83.6Confident76.8Confident75 Ų7596.6 Ų96.662%0.6250%0.498SS*.Hα-helixtrans-58.1-39.8176.700000111.9K12 R13A9-K12 PolarHBondContact O-N 3.2Å; A9-R13 WeakPolarHBondContact O-CG 3.49Å; A9-R13 PolarHBondContact O-N 3.16Å; A9-R13 VanDerWaalsContact O-N 3.1Å
10E85.8Confident77.4Confident149 Ų14991.8 Ų91.870%0.69647%0.474SS*.Hα-helixtrans-70-38.6179.3-165.4172.9-174.600112.1S8 K12 R13 T14S8-E10 PolarHBondContact O-N 2.82Å; S8-E10 PolarHBondContact OG-N 3.28Å; E10-K12 VanDerWaalsContact C-N 3.34Å; E10-K12 PolarHBondContact O-N 3.23Å; E10-R13 WeakPolarHBondContact O-CB 3.39Å; E10-R13 PolarHBondContact O-N 2.96Å; E10-T14 PolarHBondContact O-N 3.44Å; E10-T14 PolarHBondContact O-OG1 3.39Å
11E87.9Confident77.8Confident96 Ų9689.8 Ų89.845%0.44947%0.467SS..Hα-helixtrans-64.3-39.9174.8-70.2172.8140.800111.6L7 S8 R13 T14 R15L7-E11 WeakPolarHBondContact CA-OE2 3.45Å; L7-E11 HydrophobicContact CB-CB 4.41Å; L7-E11 HydrophobicContact CD2-CB 3.69Å; L7-E11 HydrophobicContact CD2-CG 4.49Å; S8-E11 PolarHBondContact N-OE2 2.8Å; S8-E11 PolarHBondContact O-N 3.14Å; S8-E11 WeakPolarHBondContact OG-CG 3.43Å; S8-E11 PolarHBondContact OG-N 2.84Å; S8-E11 VanDerWaalsContact OG-N 3.11Å; E11-R13 VanDerWaalsContact C-N 3.34Å; E11-R13 PolarHBondContact O-N 2.91Å; E11-T14 PolarHBondContact O-N 3.02Å; E11-R15 WeakPolarHBondContact O-CB 3.5Å; E11-R15 WeakPolarHBondContact O-CG 3.38Å; E11-R15 PolarHBondContact O-N 2.91Å
12K90.7Very high80Confident40 Ų4083.9 Ų83.917%0.17444%0.437CS..Hα-helixtrans-62.6-41.7175.1-67.4174.8-173.6-173.50111.6L7 S8 A9 E10 R15 M16 I42 S46 V50L7-K12 HydrophobicContact CB-CG 3.83Å; L7-K12 WeakPolarHBondContact O-CE 3.48Å; S8-K12 WeakPolarHBondContact O-CG 3.35Å; S8-K12 PolarHBondContact O-N 2.95Å; A9-K12 PolarHBondContact O-N 3.2Å; E10-K12 VanDerWaalsContact C-N 3.34Å; E10-K12 PolarHBondContact O-N 3.23Å; K12-R15 PolarHBondContact O-N 3.27Å; K12-M16 WeakPolarHBondContact O-CB 3.47Å; K12-M16 PolarHBondContact O-N 3.41Å; K12-I42 HydrophobicContact CB-CG1 4.43Å; K12-I42 HydrophobicContact CG-CG1 4.47Å; K12-I42 HydrophobicContact CG-CG2 4.46Å; K12-I42 WeakPolarHBondContact O-CD1 3.48Å; K12-S46 PolarHBondContact NZ-OG 3.01Å; K12-V50 HydrophobicContact CB-CG1 4.31Å; K12-V50 HydrophobicContact CB-CG2 3.76Å; K12-V50 HydrophobicContact CD-CG2 4.07Å
13R90.8Very high81.8Confident63 Ų6380.9 Ų80.924%0.23841%0.413CS..Hα-helixtrans-62.3-48.3176.9-75.7179.259.4164.23.6112A9 E10 E11 R15 M16 M17 V50 L54 D57A9-R13 WeakPolarHBondContact O-CG 3.49Å; A9-R13 PolarHBondContact O-N 3.16Å; A9-R13 VanDerWaalsContact O-N 3.1Å; E10-R13 WeakPolarHBondContact O-CB 3.39Å; E10-R13 PolarHBondContact O-N 2.96Å; E11-R13 VanDerWaalsContact C-N 3.34Å; E11-R13 PolarHBondContact O-N 2.91Å; R13-R15 PolarHBondContact O-N 3.23Å; R13-M16 PolarHBondContact O-N 2.97Å; R13-M17 PolarHBondContact O-N 3.45Å; R13-V50 HydrophobicContact CG-CG1 4.03Å; R13-L54 HydrophobicContact CB-CD2 4.11Å; R13-L54 HydrophobicContact CG-CD2 4.26Å; R13-L54 HydrophobicContact CG-CG 4.39Å; R13-D57 IonicContact CZ-OD2 3.08Å; R13-D57 IonicContact NH1-OD2 2.77Å; R13-D57 PolarHBondContact NH1-OD2 2.93Å; R13-D57 IonicContact NH2-OD2 2.62Å; R13-D57 PolarHBondContact NH2-OD2 2.93Å
14T89.4Confident83.7Confident77 Ų7778.7 Ų78.747%0.47240%0.404SS..Hα-helixtrans-59-48.2177.7-61.70000111.1E10 E11 M16 M17 E18E10-T14 PolarHBondContact O-N 3.44Å; E10-T14 PolarHBondContact O-OG1 3.39Å; E11-T14 PolarHBondContact O-N 3.02Å; T14-M16 VanDerWaalsContact C-N 3.34Å; T14-M16 PolarHBondContact O-N 3.18Å; T14-M17 WeakPolarHBondContact O-CB 3.31Å; T14-M17 PolarHBondContact O-N 3.08Å; T14-M17 VanDerWaalsContact O-N 3.16Å; T14-E18 PolarHBondContact O-N 2.64Å
15R90.8Very high85.4Confident94 Ų9473.3 Ų73.336%0.35539%0.385SS..Hα-helixtrans-65.9-33.9178.7-72.7-172.9-176.2-163.5-0.6113.8L7 E11 K12 R13 M17 E18 I19 K40 I42L7-R15 VanDerWaalsContact CD2-CZ 3.42Å; E11-R15 WeakPolarHBondContact O-CB 3.5Å; E11-R15 WeakPolarHBondContact O-CG 3.38Å; E11-R15 PolarHBondContact O-N 2.91Å; K12-R15 PolarHBondContact O-N 3.27Å; R13-R15 PolarHBondContact O-N 3.23Å; R15-M17 VanDerWaalsContact C-N 3.34Å; R15-E18 WeakPolarHBondContact O-CB 3.31Å; R15-E18 PolarHBondContact O-N 2.91Å; R15-I19 PolarHBondContact O-N 3.17Å; R15-K40 HydrophobicContact CB-CB 3.98Å; R15-K40 HydrophobicContact CB-CD 4.37Å; R15-K40 HydrophobicContact CB-CG 4.26Å; R15-K40 WeakPolarHBondContact CD-O 3.45Å; R15-K40 PolarHBondContact NH1-O 3Å; R15-I42 HydrophobicContact CB-CD1 4.16Å
16M91.6Very high86.8Confident0 Ų066.9 Ų66.90%036%0.363CS..Hα-helixtrans-64.4-42.1173.3-17469.778.500110.7K12 R13 T14 E18 I19 F20 L32 A36 I42 V47 V50 L54K12-M16 WeakPolarHBondContact O-CB 3.47Å; K12-M16 PolarHBondContact O-N 3.41Å; R13-M16 PolarHBondContact O-N 2.97Å; T14-M16 VanDerWaalsContact C-N 3.34Å; T14-M16 PolarHBondContact O-N 3.18Å; M16-E18 VanDerWaalsContact C-N 3.3Å; M16-E18 PolarHBondContact O-N 2.82Å; M16-I19 WeakPolarHBondContact O-CB 3.28Å; M16-I19 PolarHBondContact O-N 2.6Å; M16-I19 HydrophobicContact SD-CD1 4.1Å; M16-F20 HydrophobicContact CG-CE2 3.97Å; M16-F20 VanDerWaalsContact O-CD2 3.23Å; M16-F20 WeakPolarHBondContact O-CD2 3.24Å; M16-F20 HydrophobicContact SD-CE2 4.42Å; M16-L32 HydrophobicContact SD-CD2 4.23Å; M16-A36 HydrophobicContact CE-CB 3.96Å; M16-A36 HydrophobicContact SD-CB 4.19Å; M16-I42 HydrophobicContact CB-CD1 4.03Å; M16-I42 HydrophobicContact CE-CD1 4.04Å; M16-V47 HydrophobicContact CE-CB 4.34Å; M16-V47 HydrophobicContact CE-CG1 3.85Å; M16-V47 HydrophobicContact CE-CG2 4.43Å; M16-V50 HydrophobicContact CB-CG1 3.91Å; M16-V50 HydrophobicContact CE-CB 4.38Å; M16-V50 HydrophobicContact CE-CG1 4.14Å; M16-V50 HydrophobicContact CG-CG1 4.27Å; M16-L54 HydrophobicContact CB-CD1 3.78Å; M16-L54 HydrophobicContact CG-CD1 3.66Å
17M89.4Confident88.1Confident37 Ų3764.4 Ų64.418%0.18233%0.334CS..Hα-helixtrans-63.3-34.6174.8-74.9-63.1-6300112.9R13 T14 R15 I19 F20 S21 L54 M59 V60 A73R13-M17 PolarHBondContact O-N 3.45Å; T14-M17 WeakPolarHBondContact O-CB 3.31Å; T14-M17 PolarHBondContact O-N 3.08Å; T14-M17 VanDerWaalsContact O-N 3.16Å; R15-M17 VanDerWaalsContact C-N 3.34Å; M17-I19 VanDerWaalsContact C-N 3.28Å; M17-I19 PolarHBondContact O-N 2.69Å; M17-F20 PolarHBondContact O-N 3.1Å; M17-S21 PolarHBondContact O-N 3.09Å; M17-S21 PolarHBondContact O-OG 2.92Å; M17-L54 HydrophobicContact CG-CD1 4.06Å; M17-L54 HydrophobicContact CG-CD2 3.91Å; M17-L54 HydrophobicContact SD-CD1 4.2Å; M17-L54 HydrophobicContact SD-CD2 4.19Å; M17-M59 HydrophobicContact CE-CB 4.31Å; M17-M59 HydrophobicContact SD-CB 4Å; M17-V60 HydrophobicContact SD-CG2 3.76Å; M17-A73 HydrophobicContact CE-CB 4.11Å; M17-A73 HydrophobicContact SD-CB 4.46Å
18E89.3Confident88.9Confident69 Ų6963.9 Ų63.932%0.32233%0.33SS..Hα-helixtrans-59.7-37.5173.8-70.6170-169.400112.3T14 R15 M16 F20 S21 E22 K40T14-E18 PolarHBondContact O-N 2.64Å; R15-E18 WeakPolarHBondContact O-CB 3.31Å; R15-E18 PolarHBondContact O-N 2.91Å; M16-E18 VanDerWaalsContact C-N 3.3Å; M16-E18 PolarHBondContact O-N 2.82Å; E18-F20 VanDerWaalsContact C-N 3.34Å; E18-F20 PolarHBondContact O-N 3.27Å; E18-S21 WeakPolarHBondContact CA-OG 3.3Å; E18-S21 PolarHBondContact O-N 3.19Å; E18-S21 PolarHBondContact O-OG 2.83Å; E18-E22 VanDerWaalsContact O-CB 3.25Å; E18-E22 WeakPolarHBondContact O-CB 3.28Å; E18-E22 VanDerWaalsContact O-CG 3.24Å; E18-E22 WeakPolarHBondContact O-CG 3.17Å; E18-E22 PolarHBondContact O-N 3.18Å; E18-K40 IonicContact OE2-NZ 3Å; E18-K40 PolarHBondContact OE2-NZ 3.28Å
19I90.9Very high89.2Confident0 Ų063.5 Ų63.50%032%0.324CS..Hα-helixtrans-58.3-50176.6-61.9169.2000109.6R15 M16 M17 S21 T23 F27 L32 I35 A36 K40R15-I19 PolarHBondContact O-N 3.17Å; M16-I19 WeakPolarHBondContact O-CB 3.28Å; M16-I19 PolarHBondContact O-N 2.6Å; M16-I19 HydrophobicContact SD-CD1 4.1Å; M17-I19 VanDerWaalsContact C-N 3.28Å; M17-I19 PolarHBondContact O-N 2.69Å; I19-S21 PolarHBondContact O-N 3.46Å; I19-T23 HydrophobicContact CG2-CG2 4.46Å; I19-T23 WeakPolarHBondContact O-CB 3.2Å; I19-T23 VanDerWaalsContact O-CG2 3.3Å; I19-T23 WeakPolarHBondContact O-CG2 3.36Å; I19-T23 PolarHBondContact O-N 3Å; I19-T23 VanDerWaalsContact O-N 3.08Å; I19-T23 PolarHBondContact O-OG1 3.37Å; I19-F27 HydrophobicContact CG2-CE2 4.25Å; I19-F27 HydrophobicContact CG2-CZ 4.26Å; I19-L32 HydrophobicContact CG2-CD2 4.41Å; I19-I35 HydrophobicContact CD1-CG2 4.29Å; I19-I35 HydrophobicContact CG2-CG2 3.99Å; I19-A36 HydrophobicContact CD1-CB 3.81Å; I19-K40 HydrophobicContact CD1-CB 4.48Å; I19-K40 HydrophobicContact CD1-CG 3.82Å; I19-K40 HydrophobicContact CG1-CD 4.46Å; I19-K40 HydrophobicContact CG1-CG 3.63Å
20F89.8Confident89.7Confident1 Ų165.5 Ų65.50%0.00432%0.318CS..Hα-helixtrans-66-35.8180-64.6-74.7000112.9M16 M17 E18 K24 F27 L32 L51 V60 A73M16-F20 HydrophobicContact CG-CE2 3.97Å; M16-F20 VanDerWaalsContact O-CD2 3.23Å; M16-F20 WeakPolarHBondContact O-CD2 3.24Å; M16-F20 HydrophobicContact SD-CE2 4.42Å; M17-F20 PolarHBondContact O-N 3.1Å; E18-F20 VanDerWaalsContact C-N 3.34Å; E18-F20 PolarHBondContact O-N 3.27Å; F20-K24 VanDerWaalsContact O-CA 3.28Å; F20-K24 WeakPolarHBondContact O-CA 3.35Å; F20-K24 PolarHBondContact O-N 2.88Å; F20-F27 AromaticContact CD1-CD2 3.75Å; F20-F27 HydrophobicContact CD1-CD2 3.75Å; F20-F27 HydrophobicContact CD1-CE2 4.07Å; F20-F27 AromaticContact CE1-CD2 3.64Å; F20-F27 HydrophobicContact CE1-CD2 3.64Å; F20-F27 HydrophobicContact CE1-CE2 4.39Å; F20-L32 HydrophobicContact CE1-CD1 4.41Å; F20-L32 HydrophobicContact CE1-CD2 4.31Å; F20-L32 HydrophobicContact CZ-CD1 3.82Å; F20-L32 HydrophobicContact CZ-CD2 3.96Å; F20-L51 HydrophobicContact CE2-CD1 4.2Å; F20-L51 HydrophobicContact CZ-CD1 3.88Å; F20-V60 HydrophobicContact CD2-CG2 4.02Å; F20-V60 HydrophobicContact CE2-CG1 4.33Å; F20-V60 HydrophobicContact CE2-CG2 3.72Å; F20-V60 HydrophobicContact CZ-CG1 4.05Å; F20-V60 HydrophobicContact CZ-CG2 4.27Å; F20-A73 HydrophobicContact CB-CB 3.82Å; F20-A73 HydrophobicContact CD2-CB 4.49Å; F20-A73 HydrophobicContact CG-CB 4.07Å
21S84.8Confident90Very high49 Ų4960.9 Ų60.934%0.34330%0.298SS..Hα-helixtrans-78.5-33.7-177.668.40000113.8M17 E18 I19 K24M17-S21 PolarHBondContact O-N 3.09Å; M17-S21 PolarHBondContact O-OG 2.92Å; E18-S21 WeakPolarHBondContact CA-OG 3.3Å; E18-S21 PolarHBondContact O-N 3.19Å; E18-S21 PolarHBondContact O-OG 2.83Å; I19-S21 PolarHBondContact O-N 3.46Å; S21-K24 VanDerWaalsContact O-CG 3.3Å; S21-K24 WeakPolarHBondContact O-CG 3.25Å
22E86Confident90.2Very high115 Ų11556.3 Ų56.354%0.53728%0.277SS..Hα-helixtrans-74.1-48.2177.2-72.7168.3-170.600111E18 K40E18-E22 VanDerWaalsContact O-CB 3.25Å; E18-E22 WeakPolarHBondContact O-CB 3.28Å; E18-E22 VanDerWaalsContact O-CG 3.24Å; E18-E22 WeakPolarHBondContact O-CG 3.17Å; E18-E22 PolarHBondContact O-N 3.18Å; E22-K40 VanDerWaalsContact CD-NZ 3.29Å; E22-K40 IonicContact OE1-NZ 2.87Å; E22-K40 PolarHBondContact OE1-NZ 3.29Å; E22-K40 IonicContact OE2-NZ 2.84Å; E22-K40 PolarHBondContact OE2-NZ 2.8Å
23T85.4Confident90.3Very high59 Ų5958.4 Ų58.436%0.36229%0.288SS..Hα-helixtrans-79.2-32.8-176.861.60000112.8I19 D25 F27I19-T23 HydrophobicContact CG2-CG2 4.46Å; I19-T23 WeakPolarHBondContact O-CB 3.2Å; I19-T23 VanDerWaalsContact O-CG2 3.3Å; I19-T23 WeakPolarHBondContact O-CG2 3.36Å; I19-T23 PolarHBondContact O-N 3Å; I19-T23 VanDerWaalsContact O-N 3.08Å; I19-T23 PolarHBondContact O-OG1 3.37Å; T23-D25 PolarHBondContact O-N 2.93Å; T23-F27 HydrophobicContact CG2-CZ 3.91Å; T23-F27 WeakPolarHBondContact OG1-CE2 3.22Å; T23-F27 WeakPolarHBondContact OG1-CZ 3.3Å
24K85.4Confident90.4Very high157 Ų15762.4 Ų62.468%0.68331%0.307SS*.  trans52.534.3-174.2-54.8175.7-174.6169.30112.5F20 S21 P75F20-K24 VanDerWaalsContact O-CA 3.28Å; F20-K24 WeakPolarHBondContact O-CA 3.35Å; F20-K24 PolarHBondContact O-N 2.88Å; S21-K24 VanDerWaalsContact O-CG 3.3Å; S21-K24 WeakPolarHBondContact O-CG 3.25Å; K24-P75 HydrophobicContact CG-CG 4.48Å
25D88.3Confident90.5Very high96 Ų9660.4 Ų60.451%0.51329%0.293SS..  trans-117.7170.8-174.5-154.7-3.6000111.7T23 F27T23-D25 PolarHBondContact O-N 2.93Å; D25-F27 HydrophobicContact CB-CE2 4.11Å; D25-F27 HydrophobicContact CB-CZ 3.9Å; D25-F27 WeakPolarHBondContact O-CE2 3.26Å
26V91.8Very high90.5Very high69 Ų6956 Ų5642%0.41828%0.276SS..  trans-102.4130.4177.6-173.40000109.3Y70 W72V26-Y70 HydrophobicContact CG1-CD1 3.94Å; V26-Y70 HydrophobicContact CG1-CG 4.35Å; V26-W72 HydrophobicContact CB-CB 4.45Å; V26-W72 HydrophobicContact CG1-CB 4.39Å; V26-W72 HydrophobicContact CG1-CE3 4.08Å; V26-W72 HydrophobicContact CG2-CB 4.02Å; V26-W72 HydrophobicContact CG2-CG 4.5Å
27F94.1Very high90.5Very high14 Ų1458 Ų586%0.06129%0.289CS..EExtended strand (participates in β ladder)trans-119150.2-175.7-60.8-80000112.7I19 F20 T23 D25 D31 L32 I35 Y71I19-F27 HydrophobicContact CG2-CE2 4.25Å; I19-F27 HydrophobicContact CG2-CZ 4.26Å; F20-F27 AromaticContact CD1-CD2 3.75Å; F20-F27 HydrophobicContact CD1-CD2 3.75Å; F20-F27 HydrophobicContact CD1-CE2 4.07Å; F20-F27 AromaticContact CE1-CD2 3.64Å; F20-F27 HydrophobicContact CE1-CD2 3.64Å; F20-F27 HydrophobicContact CE1-CE2 4.39Å; T23-F27 HydrophobicContact CG2-CZ 3.91Å; T23-F27 WeakPolarHBondContact OG1-CE2 3.22Å; T23-F27 WeakPolarHBondContact OG1-CZ 3.3Å; D25-F27 HydrophobicContact CB-CE2 4.11Å; D25-F27 HydrophobicContact CB-CZ 3.9Å; D25-F27 WeakPolarHBondContact O-CE2 3.26Å; F27-D31 HydrophobicContact CD1-CB 4.29Å; F27-L32 HydrophobicContact CB-CD1 4.06Å; F27-L32 HydrophobicContact CB-CD2 3.91Å; F27-L32 HydrophobicContact CB-CG 3.69Å; F27-L32 HydrophobicContact CD2-CD2 4.14Å; F27-L32 HydrophobicContact CG-CD2 3.92Å; F27-L32 HydrophobicContact CG-CG 4.24Å; F27-I35 HydrophobicContact CD1-CD1 3.84Å; F27-I35 HydrophobicContact CE1-CD1 3.58Å; F27-Y71 PolarHBondContact N-O 3.47Å; F27-Y71 PolarHBondContact O-N 2.99Å
28Q95Very high90.5Very high29 Ų2964.8 Ų64.814%0.13632%0.318CS..EExtended strand (participates in β ladder)trans-92.2160.5161.7-55.8-169.3-4100110K30 D31 L32 Y70Q28-K30 HydrophobicContact CB-CG 4.13Å; Q28-K30 PolarHBondContact O-N 3.43Å; Q28-D31 WeakPolarHBondContact CB-OD2 3.41Å; Q28-D31 PolarHBondContact N-OD2 3.3Å; Q28-D31 WeakPolarHBondContact O-CB 3.23Å; Q28-D31 PolarHBondContact O-N 3.43Å; Q28-L32 PolarHBondContact O-N 3.11Å; Q28-L32 VanDerWaalsContact O-N 3.16Å; Q28-Y70 HydrophobicContact CG-CD1 4.12Å; Q28-Y70 HydrophobicContact CG-CE1 3.96Å; Q28-Y70 VanDerWaalsContact NE2-CZ 3.28Å; Q28-Y70 PolarHBondContact NE2-OH 3.23Å
29L93.2Very high90.6Very high45 Ų4566.7 Ų66.724%0.23633%0.327CS..Hα-helixtrans-53.4-42.9178.7178.661.3000112.1D31 L32 E33 K48 L51 Y71L29-D31 PolarHBondContact O-N 3.36Å; L29-L32 PolarHBondContact O-N 2.78Å; L29-E33 HydrophobicContact CD1-CG 4.3Å; L29-E33 HydrophobicContact CG-CG 4.42Å; L29-E33 WeakPolarHBondContact O-CG 3.48Å; L29-E33 PolarHBondContact O-N 2.83Å; L29-K48 HydrophobicContact CD1-CB 4.43Å; L29-L51 HydrophobicContact CD1-CD2 3.91Å; L29-Y71 HydrophobicContact CB-CE2 4.19Å
30K92.5Very high90.5Very high116 Ų11667.8 Ų67.850%0.50433%0.332SS..Hα-helixtrans-61.4-27.3178.970.3-176.9-172.4-161.70113.8Q28 K34Q28-K30 HydrophobicContact CB-CG 4.13Å; Q28-K30 PolarHBondContact O-N 3.43Å; K30-K34 WeakPolarHBondContact O-CG 3.47Å
31D93.1Very high90.3Very high52 Ų5269.8 Ų69.828%0.27835%0.352SS..Hα-helixtrans-82-43.5-179.5-55.8-42.3000109.2F27 Q28 L29 E33 K34 I35F27-D31 HydrophobicContact CD1-CB 4.29Å; Q28-D31 WeakPolarHBondContact CB-OD2 3.41Å; Q28-D31 PolarHBondContact N-OD2 3.3Å; Q28-D31 WeakPolarHBondContact O-CB 3.23Å; Q28-D31 PolarHBondContact O-N 3.43Å; L29-D31 PolarHBondContact O-N 3.36Å; D31-E33 VanDerWaalsContact C-N 3.3Å; D31-E33 PolarHBondContact O-N 3.16Å; D31-K34 PolarHBondContact O-N 3.14Å; D31-I35 HydrophobicContact CB-CD1 4.41Å; D31-I35 VanDerWaalsContact O-CG1 3.31Å; D31-I35 WeakPolarHBondContact O-CG1 3.23Å; D31-I35 PolarHBondContact O-N 3.11Å
32L92.1Very high90.5Very high0 Ų067.5 Ų67.50%034%0.336CS..Hα-helixtrans-61.6-37.3173.7-68.2169.5000112.3M16 I19 F20 F27 Q28 L29 K34 I35 A36 V47 L51 Y71M16-L32 HydrophobicContact SD-CD2 4.23Å; I19-L32 HydrophobicContact CG2-CD2 4.41Å; F20-L32 HydrophobicContact CE1-CD1 4.41Å; F20-L32 HydrophobicContact CE1-CD2 4.31Å; F20-L32 HydrophobicContact CZ-CD1 3.82Å; F20-L32 HydrophobicContact CZ-CD2 3.96Å; F27-L32 HydrophobicContact CB-CD1 4.06Å; F27-L32 HydrophobicContact CB-CD2 3.91Å; F27-L32 HydrophobicContact CB-CG 3.69Å; F27-L32 HydrophobicContact CD2-CD2 4.14Å; F27-L32 HydrophobicContact CG-CD2 3.92Å; F27-L32 HydrophobicContact CG-CG 4.24Å; Q28-L32 PolarHBondContact O-N 3.11Å; Q28-L32 VanDerWaalsContact O-N 3.16Å; L29-L32 PolarHBondContact O-N 2.78Å; L32-K34 PolarHBondContact O-N 3.04Å; L32-I35 PolarHBondContact O-N 3.46Å; L32-A36 WeakPolarHBondContact O-CB 3.14Å; L32-A36 PolarHBondContact O-N 3.23Å; L32-V47 HydrophobicContact CB-CG1 4.1Å; L32-L51 HydrophobicContact CD1-CD1 3.87Å; L32-L51 HydrophobicContact CD1-CD2 3.63Å; L32-L51 HydrophobicContact CD1-CG 4.37Å; L32-Y71 HydrophobicContact CD1-CD2 4.46Å
33E92.7Very high90.6Very high84 Ų8466.1 Ų66.139%0.39334%0.336SS..Hα-helixtrans-62.2-20.2174.7-77178165.800113.3L29 D31 P37 V47L29-E33 HydrophobicContact CD1-CG 4.3Å; L29-E33 HydrophobicContact CG-CG 4.42Å; L29-E33 WeakPolarHBondContact O-CG 3.48Å; L29-E33 PolarHBondContact O-N 2.83Å; D31-E33 VanDerWaalsContact C-N 3.3Å; D31-E33 PolarHBondContact O-N 3.16Å; E33-P37 VanDerWaalsContact O-CD 3.23Å; E33-P37 WeakPolarHBondContact O-CD 3.36Å; E33-P37 VanDerWaalsContact O-CG 3.24Å; E33-P37 WeakPolarHBondContact O-CG 3.46Å; E33-V47 HydrophobicContact CG-CB 4.37Å; E33-V47 HydrophobicContact CG-CG1 4.05Å
34K92.3Very high90.7Very high147 Ų14765.7 Ų65.764%0.63934%0.338SS*.Hα-helixtrans-96.3-44.9175.2-65.6174.8-175.3175.80112.4K30 D31 L32 K38K30-K34 WeakPolarHBondContact O-CG 3.47Å; D31-K34 PolarHBondContact O-N 3.14Å; L32-K34 PolarHBondContact O-N 3.04Å; K34-K38 WeakPolarHBondContact O-CB 3.4Å; K34-K38 PolarHBondContact O-N 3.28Å
35I91.7Very high90.8Very high36 Ų3666.5 Ų66.519%0.18535%0.347CS..Hα-helixtrans-72.6-44.8-174.4-62.5165.9000110.4I19 F27 D31 L32 K38 E39I19-I35 HydrophobicContact CD1-CG2 4.29Å; I19-I35 HydrophobicContact CG2-CG2 3.99Å; F27-I35 HydrophobicContact CD1-CD1 3.84Å; F27-I35 HydrophobicContact CE1-CD1 3.58Å; D31-I35 HydrophobicContact CB-CD1 4.41Å; D31-I35 VanDerWaalsContact O-CG1 3.31Å; D31-I35 WeakPolarHBondContact O-CG1 3.23Å; D31-I35 PolarHBondContact O-N 3.11Å; L32-I35 PolarHBondContact O-N 3.46Å; I35-K38 PolarHBondContact O-N 3.36Å; I35-E39 HydrophobicContact CG2-CB 4.46Å; I35-E39 HydrophobicContact CG2-CG 4.08Å; I35-E39 WeakPolarHBondContact O-CB 3.24Å; I35-E39 PolarHBondContact O-N 3.14Å
36A91.5Very high90.9Very high0 Ų062.3 Ų62.30%033%0.325CS..Hα-helixtrans-64-41.6-174.200000114.1M16 I19 L32 K40 G41 I42 V47M16-A36 HydrophobicContact CE-CB 3.96Å; M16-A36 HydrophobicContact SD-CB 4.19Å; I19-A36 HydrophobicContact CD1-CB 3.81Å; L32-A36 WeakPolarHBondContact O-CB 3.14Å; L32-A36 PolarHBondContact O-N 3.23Å; A36-K40 CarbonylContact O-C 3.6Å; A36-K40 PolarHBondContact O-N 3.36Å; A36-G41 PolarHBondContact O-N 2.81Å; A36-G41 VanDerWaalsContact O-N 3.09Å; A36-I42 HydrophobicContact CB-CB 4.14Å; A36-I42 HydrophobicContact CB-CD1 4.14Å; A36-I42 PolarHBondContact O-N 2.89Å; A36-I42 VanDerWaalsContact O-N 3.1Å; A36-V47 HydrophobicContact CB-CG2 3.83Å
37P91.1Very high90.9Very high43 Ų4359 Ų5928%0.27931%0.305SS..Hα-helixtrans-69.4-38.4171.6-19.232.3000113.3E33 G41 I42 A44 V47E33-P37 VanDerWaalsContact O-CD 3.23Å; E33-P37 WeakPolarHBondContact O-CD 3.36Å; E33-P37 VanDerWaalsContact O-CG 3.24Å; E33-P37 WeakPolarHBondContact O-CG 3.46Å; P37-G41 WeakPolarHBondContact O-CA 3.09Å; P37-G41 PolarHBondContact O-N 2.88Å; P37-I42 WeakPolarHBondContact CA-O 3.36Å; P37-I42 VanDerWaalsContact CB-O 3.25Å; P37-I42 WeakPolarHBondContact CB-O 3.27Å; P37-I42 VanDerWaalsContact CG-O 3.27Å; P37-I42 WeakPolarHBondContact CG-O 3.25Å; P37-A44 HydrophobicContact CG-CB 3.97Å; P37-V47 HydrophobicContact CG-CG2 4.38Å
38K90.4Very high90.9Very high179 Ų17964.7 Ų64.778%0.77833%0.33SS*.Hα-helixtrans-71.1-47.1-174.8-175.7-177.4177-170.10112.6K34 I35K34-K38 WeakPolarHBondContact O-CB 3.4Å; K34-K38 PolarHBondContact O-N 3.28Å; I35-K38 PolarHBondContact O-N 3.36Å
39E89.4Confident90.8Very high110 Ų11070.2 Ų70.251%0.51436%0.355SS..Hα-helixtrans-94-38-172.2-64-170.8-177.500112.5I35I35-E39 HydrophobicContact CG2-CB 4.46Å; I35-E39 HydrophobicContact CG2-CG 4.08Å; I35-E39 WeakPolarHBondContact O-CB 3.24Å; I35-E39 PolarHBondContact O-N 3.14Å
40K89Confident90.9Very high23 Ų2368.5 Ų68.510%0.135%0.347CS..Hα-helixtrans-113.5-4.1-171-61.4-60.5-178.4173.40113.8R15 E18 I19 E22 A36 I42R15-K40 HydrophobicContact CB-CB 3.98Å; R15-K40 HydrophobicContact CB-CD 4.37Å; R15-K40 HydrophobicContact CB-CG 4.26Å; R15-K40 WeakPolarHBondContact CD-O 3.45Å; R15-K40 PolarHBondContact NH1-O 3Å; E18-K40 IonicContact OE2-NZ 3Å; E18-K40 PolarHBondContact OE2-NZ 3.28Å; I19-K40 HydrophobicContact CD1-CB 4.48Å; I19-K40 HydrophobicContact CD1-CG 3.82Å; I19-K40 HydrophobicContact CG1-CD 4.46Å; I19-K40 HydrophobicContact CG1-CG 3.63Å; E22-K40 VanDerWaalsContact CD-NZ 3.29Å; E22-K40 IonicContact OE1-NZ 2.87Å; E22-K40 PolarHBondContact OE1-NZ 3.29Å; E22-K40 IonicContact OE2-NZ 2.84Å; E22-K40 PolarHBondContact OE2-NZ 2.8Å; A36-K40 CarbonylContact O-C 3.6Å; A36-K40 PolarHBondContact O-N 3.36Å; K40-I42 HydrophobicContact CB-CD1 4.28Å; K40-I42 HydrophobicContact CB-CG1 4.25Å; K40-I42 PolarHBondContact O-N 3Å
41G86.8Confident90.9Very high43 Ų4363.1 Ų63.144%0.44332%0.323SS..  trans69.119.4178.200000114.2L7 A36 P37L7-G41 WeakPolarHBondContact CD1-O 3.47Å; A36-G41 PolarHBondContact O-N 2.81Å; A36-G41 VanDerWaalsContact O-N 3.09Å; P37-G41 WeakPolarHBondContact O-CA 3.09Å; P37-G41 PolarHBondContact O-N 2.88Å
42I88.9Confident91Very high1 Ų164.8 Ų64.81%0.00533%0.33CS..  trans-72.7127.6175.3-61.7172.1000108K12 R15 M16 A36 P37 K40 A44 V47K12-I42 HydrophobicContact CB-CG1 4.43Å; K12-I42 HydrophobicContact CG-CG1 4.47Å; K12-I42 HydrophobicContact CG-CG2 4.46Å; K12-I42 WeakPolarHBondContact O-CD1 3.48Å; R15-I42 HydrophobicContact CB-CD1 4.16Å; M16-I42 HydrophobicContact CB-CD1 4.03Å; M16-I42 HydrophobicContact CE-CD1 4.04Å; A36-I42 HydrophobicContact CB-CB 4.14Å; A36-I42 HydrophobicContact CB-CD1 4.14Å; A36-I42 PolarHBondContact O-N 2.89Å; A36-I42 VanDerWaalsContact O-N 3.1Å; P37-I42 WeakPolarHBondContact CA-O 3.36Å; P37-I42 VanDerWaalsContact CB-O 3.25Å; P37-I42 WeakPolarHBondContact CB-O 3.27Å; P37-I42 VanDerWaalsContact CG-O 3.27Å; P37-I42 WeakPolarHBondContact CG-O 3.25Å; K40-I42 HydrophobicContact CB-CD1 4.28Å; K40-I42 HydrophobicContact CB-CG1 4.25Å; K40-I42 PolarHBondContact O-N 3Å; I42-A44 PolarHBondContact O-N 3.25Å; I42-V47 HydrophobicContact CG2-CG2 3.91Å
43T88.4Confident91Very high85 Ų8566.3 Ų66.352%0.52134%0.34SS..  trans-59.9130177.7-46.20000110.1M45 S46 V47T43-M45 HydrophobicContact CG2-CB 4.42Å; T43-M45 PolarHBondContact O-N 2.84Å; T43-M45 VanDerWaalsContact O-N 3.16Å; T43-S46 WeakPolarHBondContact O-CA 3.46Å; T43-S46 PolarHBondContact O-N 3.44Å; T43-S46 PolarHBondContact O-OG 3.15Å; T43-V47 PolarHBondContact O-N 3.35Å
44A86.3Confident90.9Very high51 Ų5162.3 Ų62.342%0.42132%0.321SS..Hα-helixtrans-50.6-42.7-177.300000112.9P37 I42 S46 V47P37-A44 HydrophobicContact CG-CB 3.97Å; I42-A44 PolarHBondContact O-N 3.25Å; A44-S46 PolarHBondContact O-N 2.84Å; A44-S46 VanDerWaalsContact O-N 3.14Å; A44-V47 WeakPolarHBondContact O-CB 3.31Å; A44-V47 PolarHBondContact O-N 3.41Å; A44-V47 VanDerWaalsContact O-N 3.11Å
45M87.6Confident90.9Very high174 Ų17456.4 Ų56.486%0.85730%0.298SS*.Hα-helixtrans-58-27.2176.4-65.5-64.1-67.300114.1T43T43-M45 HydrophobicContact CG2-CB 4.42Å; T43-M45 PolarHBondContact O-N 2.84Å; T43-M45 VanDerWaalsContact O-N 3.16Å
46S90.4Very high90.8Very high7 Ų760.1 Ų60.15%0.04932%0.318CS..Hα-helixtrans-96.3-7.1-179.561.20000114.2K12 T43 A44 K48 E49 V50K12-S46 PolarHBondContact NZ-OG 3.01Å; T43-S46 WeakPolarHBondContact O-CA 3.46Å; T43-S46 PolarHBondContact O-N 3.44Å; T43-S46 PolarHBondContact O-OG 3.15Å; A44-S46 PolarHBondContact O-N 2.84Å; A44-S46 VanDerWaalsContact O-N 3.14Å; S46-K48 PolarHBondContact O-N 3.01Å; S46-E49 PolarHBondContact O-N 3.43Å; S46-V50 WeakPolarHBondContact O-CB 3.18Å; S46-V50 WeakPolarHBondContact O-CG2 3.4Å; S46-V50 PolarHBondContact O-N 3.19Å
47V92.8Very high90.5Very high0 Ų064.4 Ų64.40%034%0.341CS..Hα-helixtrans-59.4-47.7-177.5168.30000110.9M16 L32 E33 A36 P37 I42 T43 A44 V50 L51M16-V47 HydrophobicContact CE-CB 4.34Å; M16-V47 HydrophobicContact CE-CG1 3.85Å; M16-V47 HydrophobicContact CE-CG2 4.43Å; L32-V47 HydrophobicContact CB-CG1 4.1Å; E33-V47 HydrophobicContact CG-CB 4.37Å; E33-V47 HydrophobicContact CG-CG1 4.05Å; A36-V47 HydrophobicContact CB-CG2 3.83Å; P37-V47 HydrophobicContact CG-CG2 4.38Å; I42-V47 HydrophobicContact CG2-CG2 3.91Å; T43-V47 PolarHBondContact O-N 3.35Å; A44-V47 WeakPolarHBondContact O-CB 3.31Å; A44-V47 PolarHBondContact O-N 3.41Å; A44-V47 VanDerWaalsContact O-N 3.11Å; V47-V50 PolarHBondContact O-N 3.16Å; V47-L51 VanDerWaalsContact O-CB 3.24Å; V47-L51 WeakPolarHBondContact O-CB 3.24Å; V47-L51 PolarHBondContact O-N 2.87Å
48K93.3Very high90.2Very high134 Ų13463.8 Ų63.858%0.58334%0.343SS*.Hα-helixtrans-62.7-44.5-179.8-172.9179.9178.8-177.50112.5L29 S46 Q52L29-K48 HydrophobicContact CD1-CB 4.43Å; S46-K48 PolarHBondContact O-N 3.01Å; K48-Q52 WeakPolarHBondContact O-CB 3.12Å; K48-Q52 PolarHBondContact O-N 3.32Å
49E94.3Very high90Very high145 Ų14558.7 Ų58.768%0.67832%0.322SS*.Hα-helixtrans-63.9-46.1178.6-175.7-172.1175.600111.3S46 Q52 S53S46-E49 PolarHBondContact O-N 3.43Å; E49-Q52 PolarHBondContact O-N 3.37Å; E49-S53 PolarHBondContact O-N 2.84Å
50V93.6Very high90.1Very high9 Ų953.5 Ų53.56%0.05530%0.298CS..Hα-helixtrans-64.1-45178.8172.30000110.6K12 R13 M16 S46 V47 S53 L54K12-V50 HydrophobicContact CB-CG1 4.31Å; K12-V50 HydrophobicContact CB-CG2 3.76Å; K12-V50 HydrophobicContact CD-CG2 4.07Å; R13-V50 HydrophobicContact CG-CG1 4.03Å; M16-V50 HydrophobicContact CB-CG1 3.91Å; M16-V50 HydrophobicContact CE-CB 4.38Å; M16-V50 HydrophobicContact CE-CG1 4.14Å; M16-V50 HydrophobicContact CG-CG1 4.27Å; S46-V50 WeakPolarHBondContact O-CB 3.18Å; S46-V50 WeakPolarHBondContact O-CG2 3.4Å; S46-V50 PolarHBondContact O-N 3.19Å; V47-V50 PolarHBondContact O-N 3.16Å; V50-S53 PolarHBondContact O-N 3.07Å; V50-S53 PolarHBondContact O-OG 3.12Å; V50-L54 HydrophobicContact CG1-CD1 4.34Å; V50-L54 WeakPolarHBondContact O-CG 3.43Å; V50-L54 PolarHBondContact O-N 3.21Å; V50-L54 VanDerWaalsContact O-N 3.12Å
51L94Very high90.2Very high2 Ų254.8 Ų54.81%0.0131%0.306CS..Hα-helixtrans-60.4-46.8177-177.963.4000111.2F20 L29 L32 V47 S53 L54 V55 V60 Y71F20-L51 HydrophobicContact CE2-CD1 4.2Å; F20-L51 HydrophobicContact CZ-CD1 3.88Å; L29-L51 HydrophobicContact CD1-CD2 3.91Å; L32-L51 HydrophobicContact CD1-CD1 3.87Å; L32-L51 HydrophobicContact CD1-CD2 3.63Å; L32-L51 HydrophobicContact CD1-CG 4.37Å; V47-L51 VanDerWaalsContact O-CB 3.24Å; V47-L51 WeakPolarHBondContact O-CB 3.24Å; V47-L51 PolarHBondContact O-N 2.87Å; L51-S53 VanDerWaalsContact C-N 3.35Å; L51-S53 PolarHBondContact O-N 3.37Å; L51-L54 PolarHBondContact O-N 3.37Å; L51-L54 VanDerWaalsContact O-N 3.17Å; L51-V55 WeakPolarHBondContact O-CG2 3.44Å; L51-V55 PolarHBondContact O-N 2.91Å; L51-V60 HydrophobicContact CD1-CG1 4.02Å; L51-Y71 HydrophobicContact CD1-CD1 3.94Å; L51-Y71 HydrophobicContact CD1-CG 4.2Å; L51-Y71 HydrophobicContact CD2-CD1 3.77Å; L51-Y71 HydrophobicContact CD2-CD2 3.93Å; L51-Y71 HydrophobicContact CD2-CE1 3.71Å; L51-Y71 HydrophobicContact CD2-CE2 3.89Å; L51-Y71 HydrophobicContact CD2-CG 3.87Å; L51-Y71 HydrophobicContact CG-CD1 3.95Å; L51-Y71 HydrophobicContact CG-CE1 4.02Å; L51-Y71 HydrophobicContact CG-CG 4.4Å
52Q93.6Very high90.6Very high88 Ų8855.9 Ų55.941%0.41131%0.306SS..Hα-helixtrans-61-44.3177.9-169.262.454.800111.2K48 E49 L54 V55 D56K48-Q52 WeakPolarHBondContact O-CB 3.12Å; K48-Q52 PolarHBondContact O-N 3.32Å; E49-Q52 PolarHBondContact O-N 3.37Å; Q52-L54 PolarHBondContact O-N 3.27Å; Q52-V55 PolarHBondContact O-N 2.91Å; Q52-D56 PolarHBondContact NE2-OD1 3.17Å; Q52-D56 WeakPolarHBondContact O-CB 3.42Å; Q52-D56 PolarHBondContact O-N 3.37Å
53S92.6Very high90.9Very high31 Ų3160.9 Ų60.922%0.21733%0.33CS..Hα-helixtrans-59.6-32.9177.377.10000113.2E49 V50 L51 D57E49-S53 PolarHBondContact O-N 2.84Å; V50-S53 PolarHBondContact O-N 3.07Å; V50-S53 PolarHBondContact O-OG 3.12Å; L51-S53 VanDerWaalsContact C-N 3.35Å; L51-S53 PolarHBondContact O-N 3.37Å; S53-D57 WeakPolarHBondContact O-CB 3.5Å; S53-D57 PolarHBondContact O-N 2.72Å
54L90.8Very high91.2Very high0 Ų065.3 Ų65.30%034%0.337CS..Hα-helixtrans-76.5-33.3176.6-71.2171.9000112.7R13 M16 M17 V50 L51 Q52 G58 M59 V60R13-L54 HydrophobicContact CB-CD2 4.11Å; R13-L54 HydrophobicContact CG-CD2 4.26Å; R13-L54 HydrophobicContact CG-CG 4.39Å; M16-L54 HydrophobicContact CB-CD1 3.78Å; M16-L54 HydrophobicContact CG-CD1 3.66Å; M17-L54 HydrophobicContact CG-CD1 4.06Å; M17-L54 HydrophobicContact CG-CD2 3.91Å; M17-L54 HydrophobicContact SD-CD1 4.2Å; M17-L54 HydrophobicContact SD-CD2 4.19Å; V50-L54 HydrophobicContact CG1-CD1 4.34Å; V50-L54 WeakPolarHBondContact O-CG 3.43Å; V50-L54 PolarHBondContact O-N 3.21Å; V50-L54 VanDerWaalsContact O-N 3.12Å; L51-L54 PolarHBondContact O-N 3.37Å; L51-L54 VanDerWaalsContact O-N 3.17Å; Q52-L54 PolarHBondContact O-N 3.27Å; L54-G58 PolarHBondContact O-N 3.37Å; L54-M59 HydrophobicContact CB-CB 4.47Å; L54-M59 HydrophobicContact CD2-CB 4.12Å; L54-M59 HydrophobicContact CD2-CG 4.46Å; L54-M59 HydrophobicContact CD2-SD 3.75Å; L54-M59 WeakPolarHBondContact O-CB 3.42Å; L54-M59 PolarHBondContact O-N 2.97Å; L54-V60 HydrophobicContact CB-CB 4.18Å; L54-V60 HydrophobicContact CB-CG2 3.73Å; L54-V60 HydrophobicContact CD1-CG2 4.16Å; L54-V60 PolarHBondContact O-N 3.42Å; L54-V60 VanDerWaalsContact O-N 3.15Å
55V92.1Very high91.6Very high24 Ų2467.6 Ų67.615%0.14534%0.341CS..Hα-helixtrans-68.1-45.2172.8171.10000110.4L51 Q52 D57 G58 V60 C62 Y71L51-V55 WeakPolarHBondContact O-CG2 3.44Å; L51-V55 PolarHBondContact O-N 2.91Å; Q52-V55 PolarHBondContact O-N 2.91Å; V55-D57 VanDerWaalsContact C-N 3.28Å; V55-D57 PolarHBondContact O-N 3.33Å; V55-G58 WeakPolarHBondContact O-CA 3.44Å; V55-G58 PolarHBondContact O-N 3.27Å; V55-V60 WeakPolarHBondContact CA-O 3.35Å; V55-V60 HydrophobicContact CG2-CB 4.02Å; V55-V60 HydrophobicContact CG2-CG1 3.93Å; V55-C62 HydrophobicContact CG1-CB 4.22Å; V55-C62 HydrophobicContact CG2-CB 4.14Å; V55-Y71 HydrophobicContact CG2-CD1 4.05Å; V55-Y71 HydrophobicContact CG2-CE1 4.12Å
56D90.1Very high91.9Very high113 Ų11362.2 Ų62.260%0.60433%0.33SS*.Hα-helixtrans-62.3-37.1179.6-63-18.4000111.6Q52 G58Q52-D56 PolarHBondContact NE2-OD1 3.17Å; Q52-D56 WeakPolarHBondContact O-CB 3.42Å; Q52-D56 PolarHBondContact O-N 3.37Å; D56-G58 PolarHBondContact O-N 2.82Å
57D85.2Confident92Very high90 Ų9068.5 Ų68.548%0.48137%0.368SS..THydrogen-bonded Turntrans-79.82.1173.8-75.8-24.7000113.6R13 S53 V55 M59R13-D57 IonicContact CZ-OD2 3.08Å; R13-D57 IonicContact NH1-OD2 2.77Å; R13-D57 PolarHBondContact NH1-OD2 2.93Å; R13-D57 IonicContact NH2-OD2 2.62Å; R13-D57 PolarHBondContact NH2-OD2 2.93Å; S53-D57 WeakPolarHBondContact O-CB 3.5Å; S53-D57 PolarHBondContact O-N 2.72Å; V55-D57 VanDerWaalsContact C-N 3.28Å; V55-D57 PolarHBondContact O-N 3.33Å; D57-M59 HydrophobicContact CB-CG 4.24Å; D57-M59 PolarHBondContact O-N 3.31Å
58G85.6Confident91.9Very high31 Ų3170.5 Ų70.532%0.3238%0.382SS..THydrogen-bonded Turntrans69.512.1178.900000114.8L54 V55 D56 K77L54-G58 PolarHBondContact O-N 3.37Å; V55-G58 WeakPolarHBondContact O-CA 3.44Å; V55-G58 PolarHBondContact O-N 3.27Å; D56-G58 PolarHBondContact O-N 2.82Å; G58-K77 WeakPolarHBondContact O-CE 3.49Å; G58-K77 PolarHBondContact O-NZ 3.1Å
59M85.9Confident92Very high71 Ų7167.5 Ų67.535%0.3537%0.373SS..SBendtrans-77.1-33.2179.6-61.8-169.7179.800112.5M17 L54 D57 A73M17-M59 HydrophobicContact CE-CB 4.31Å; M17-M59 HydrophobicContact SD-CB 4Å; L54-M59 HydrophobicContact CB-CB 4.47Å; L54-M59 HydrophobicContact CD2-CB 4.12Å; L54-M59 HydrophobicContact CD2-CG 4.46Å; L54-M59 HydrophobicContact CD2-SD 3.75Å; L54-M59 WeakPolarHBondContact O-CB 3.42Å; L54-M59 PolarHBondContact O-N 2.97Å; D57-M59 HydrophobicContact CB-CG 4.24Å; D57-M59 PolarHBondContact O-N 3.31Å; M59-A73 WeakPolarHBondContact O-CB 3.35Å
60V91Very high92.1Very high2 Ų264 Ų641%0.01235%0.354CS..SBendtrans-114.6133.2175.4172.70000108.1M17 F20 L51 L54 V55 Y71 A73M17-V60 HydrophobicContact SD-CG2 3.76Å; F20-V60 HydrophobicContact CD2-CG2 4.02Å; F20-V60 HydrophobicContact CE2-CG1 4.33Å; F20-V60 HydrophobicContact CE2-CG2 3.72Å; F20-V60 HydrophobicContact CZ-CG1 4.05Å; F20-V60 HydrophobicContact CZ-CG2 4.27Å; L51-V60 HydrophobicContact CD1-CG1 4.02Å; L54-V60 HydrophobicContact CB-CB 4.18Å; L54-V60 HydrophobicContact CB-CG2 3.73Å; L54-V60 HydrophobicContact CD1-CG2 4.16Å; L54-V60 PolarHBondContact O-N 3.42Å; L54-V60 VanDerWaalsContact O-N 3.15Å; V55-V60 WeakPolarHBondContact CA-O 3.35Å; V55-V60 HydrophobicContact CG2-CB 4.02Å; V55-V60 HydrophobicContact CG2-CG1 3.93Å; V60-Y71 HydrophobicContact CG1-CD1 4.27Å; V60-A73 HydrophobicContact CG2-CB 4.2Å
61D91.6Very high92.1Very high50 Ų5064.5 Ų64.527%0.26736%0.355SS..EExtended strand (participates in β ladder)trans-81.5143.1169.4-68.2-63.8000109.7Y71 W72 K77D61-Y71 VanDerWaalsContact O-CA 3.31Å; D61-Y71 WeakPolarHBondContact O-CA 3.42Å; D61-W72 HydrophobicContact CB-CD2 3.89Å; D61-W72 VanDerWaalsContact CB-CE2 3.45Å; D61-W72 HydrophobicContact CB-CE3 4.44Å; D61-W72 HydrophobicContact CB-CG 4.34Å; D61-W72 HydrophobicContact CB-CH2 4.3Å; D61-W72 HydrophobicContact CB-CZ2 3.69Å; D61-W72 PolarHBondContact N-O 2.96Å; D61-W72 PolarHBondContact O-N 3.5Å; D61-W72 VanDerWaalsContact O-N 3.14Å; D61-K77 IonicContact OD1-NZ 2.64Å; D61-K77 PolarHBondContact OD1-NZ 3.5Å; D61-K77 WeakPolarHBondContact OD2-CD 3.38Å; D61-K77 VanDerWaalsContact OD2-CE 3.26Å; D61-K77 WeakPolarHBondContact OD2-CE 3.37Å; D61-K77 IonicContact OD2-NZ 2.69Å; D61-K77 PolarHBondContact OD2-NZ 3.11Å
62C94.4Very high92.1Very high65 Ų6566.6 Ų66.644%0.43936%0.363SS..EExtended strand (participates in β ladder)trans-127.7136.3167.977.90000110.3V55 Y70 Y71V55-C62 HydrophobicContact CG1-CB 4.22Å; V55-C62 HydrophobicContact CG2-CB 4.14Å; C62-Y70 CarbonylContact C-O 3.46Å; C62-Y70 VanDerWaalsContact CA-O 3.28Å; C62-Y70 WeakPolarHBondContact CA-O 3.43Å; C62-Y71 HydrophobicContact CB-CD1 3.57Å; C62-Y71 HydrophobicContact CB-CE1 3.52Å
63E95.2Very high91.9Very high107 Ų10762.8 Ų62.850%0.535%0.346SS..EExtended strand (participates in β ladder)trans-139.1140.2174.4-176165.2-150.600110.6I65 N69 Y70 W72E63-I65 HydrophobicContact CG-CG1 4.26Å; E63-N69 WeakPolarHBondContact O-CA 3.33Å; E63-Y70 PolarHBondContact N-O 3.43Å; E63-Y70 PolarHBondContact O-N 3.39Å; E63-W72 HydrophobicContact CB-CH2 3.38Å; E63-W72 HydrophobicContact CB-CZ3 3.63Å; E63-W72 HydrophobicContact CG-CH2 4.45Å; E63-W72 WeakPolarHBondContact OE2-CH2 3.49Å
64R94.6Very high91.5Very high177 Ų17767.1 Ų67.167%0.66836%0.361SS*.EExtended strand (participates in β ladder)trans-96.3114.9177.6-171.515568.393.4-7.5109.8G66 S68 N69R64-G66 PolarHBondContact NH1-O 3.41Å; R64-S68 WeakPolarHBondContact CA-O 3.44Å; R64-N69 WeakPolarHBondContact CB-OD1 3.17Å; R64-N69 WeakPolarHBondContact CD-OD1 3.34Å; R64-N69 WeakPolarHBondContact CG-OD1 3.37Å
65I94.4Very high90.6Very high99 Ų9970.7 Ų70.751%0.50838%0.384SS..EExtended strand (participates in β ladder)trans-113.4111175.9-53.7173.5000107.4E63 T67 S68 Y70E63-I65 HydrophobicContact CG-CG1 4.26Å; I65-T67 PolarHBondContact O-N 3.45Å; I65-S68 PolarHBondContact N-O 3.15Å; I65-S68 PolarHBondContact O-N 2.87Å; I65-Y70 HydrophobicContact CB-CD2 3.91Å; I65-Y70 HydrophobicContact CB-CE2 3.76Å; I65-Y70 HydrophobicContact CD1-CD2 3.96Å; I65-Y70 HydrophobicContact CD1-CE2 4.31Å; I65-Y70 HydrophobicContact CD1-CG 4.44Å; I65-Y70 HydrophobicContact CG1-CD2 4.01Å; I65-Y70 HydrophobicContact CG1-CE2 4.33Å
66G94Very high89.6Confident61 Ų6173 Ų7363%0.62940%0.402SS*.THydrogen-bonded Turntrans63-117.1-17200000112.3R64R64-G66 PolarHBondContact NH1-O 3.41Å
67T92.1Very high88.6Confident140 Ų14069.7 Ų69.786%0.85938%0.382SS*.THydrogen-bonded Turntrans-97.1-3-179.856.70000113.6I65I65-T67 PolarHBondContact O-N 3.45Å
68S92.6Very high87.8Confident41 Ų4167.6 Ų67.629%0.28738%0.377SS..EExtended strand (participates in β ladder)trans-117.9143.3-172-63.70000112.4R64 I65R64-S68 WeakPolarHBondContact CA-O 3.44Å; I65-S68 PolarHBondContact N-O 3.15Å; I65-S68 PolarHBondContact O-N 2.87Å
69N94.6Very high87.1Confident72 Ų7270.8 Ų70.839%0.38539%0.386SS..EExtended strand (participates in β ladder)trans-93.5134.9171-63.1-45.9000110E63 R64 Y71E63-N69 WeakPolarHBondContact O-CA 3.33Å; R64-N69 WeakPolarHBondContact CB-OD1 3.17Å; R64-N69 WeakPolarHBondContact CD-OD1 3.34Å; R64-N69 WeakPolarHBondContact CG-OD1 3.37Å; N69-Y71 HydrophobicContact CB-CE2 3.83Å
70Y95.6Very high86.5Confident72 Ų7273.6 Ų73.628%0.28240%0.398SS..EExtended strand (participates in β ladder)trans-114.9139.4177.7-68.3-93.5000108.9V26 Q28 C62 E63 I65V26-Y70 HydrophobicContact CG1-CD1 3.94Å; V26-Y70 HydrophobicContact CG1-CG 4.35Å; Q28-Y70 HydrophobicContact CG-CD1 4.12Å; Q28-Y70 HydrophobicContact CG-CE1 3.96Å; Q28-Y70 VanDerWaalsContact NE2-CZ 3.28Å; Q28-Y70 PolarHBondContact NE2-OH 3.23Å; C62-Y70 CarbonylContact C-O 3.46Å; C62-Y70 VanDerWaalsContact CA-O 3.28Å; C62-Y70 WeakPolarHBondContact CA-O 3.43Å; E63-Y70 PolarHBondContact N-O 3.43Å; E63-Y70 PolarHBondContact O-N 3.39Å; I65-Y70 HydrophobicContact CB-CD2 3.91Å; I65-Y70 HydrophobicContact CB-CE2 3.76Å; I65-Y70 HydrophobicContact CD1-CD2 3.96Å; I65-Y70 HydrophobicContact CD1-CE2 4.31Å; I65-Y70 HydrophobicContact CD1-CG 4.44Å; I65-Y70 HydrophobicContact CG1-CD2 4.01Å; I65-Y70 HydrophobicContact CG1-CE2 4.33Å
71Y95.1Very high85.6Confident18 Ų1875.6 Ų75.67%0.07142%0.415CS..EExtended strand (participates in β ladder)trans-127.1133.8-175.8-58.9-89.2000110F27 L29 L32 L51 V55 V60 D61 C62 N69F27-Y71 PolarHBondContact N-O 3.47Å; F27-Y71 PolarHBondContact O-N 2.99Å; L29-Y71 HydrophobicContact CB-CE2 4.19Å; L32-Y71 HydrophobicContact CD1-CD2 4.46Å; L51-Y71 HydrophobicContact CD1-CD1 3.94Å; L51-Y71 HydrophobicContact CD1-CG 4.2Å; L51-Y71 HydrophobicContact CD2-CD1 3.77Å; L51-Y71 HydrophobicContact CD2-CD2 3.93Å; L51-Y71 HydrophobicContact CD2-CE1 3.71Å; L51-Y71 HydrophobicContact CD2-CE2 3.89Å; L51-Y71 HydrophobicContact CD2-CG 3.87Å; L51-Y71 HydrophobicContact CG-CD1 3.95Å; L51-Y71 HydrophobicContact CG-CE1 4.02Å; L51-Y71 HydrophobicContact CG-CG 4.4Å; V55-Y71 HydrophobicContact CG2-CD1 4.05Å; V55-Y71 HydrophobicContact CG2-CE1 4.12Å; V60-Y71 HydrophobicContact CG1-CD1 4.27Å; D61-Y71 VanDerWaalsContact O-CA 3.31Å; D61-Y71 WeakPolarHBondContact O-CA 3.42Å; C62-Y71 HydrophobicContact CB-CD1 3.57Å; C62-Y71 HydrophobicContact CB-CE1 3.52Å; N69-Y71 HydrophobicContact CB-CE2 3.83Å
72W93.3Very high84.7Confident47 Ų4782.7 Ų82.718%0.17844%0.438CS..EExtended strand (participates in β ladder)trans-151.7162.1175.765.996.4000110.7V26 D61 E63 F74V26-W72 HydrophobicContact CB-CB 4.45Å; V26-W72 HydrophobicContact CG1-CB 4.39Å; V26-W72 HydrophobicContact CG1-CE3 4.08Å; V26-W72 HydrophobicContact CG2-CB 4.02Å; V26-W72 HydrophobicContact CG2-CG 4.5Å; D61-W72 HydrophobicContact CB-CD2 3.89Å; D61-W72 VanDerWaalsContact CB-CE2 3.45Å; D61-W72 HydrophobicContact CB-CE3 4.44Å; D61-W72 HydrophobicContact CB-CG 4.34Å; D61-W72 HydrophobicContact CB-CH2 4.3Å; D61-W72 HydrophobicContact CB-CZ2 3.69Å; D61-W72 PolarHBondContact N-O 2.96Å; D61-W72 PolarHBondContact O-N 3.5Å; D61-W72 VanDerWaalsContact O-N 3.14Å; E63-W72 HydrophobicContact CB-CH2 3.38Å; E63-W72 HydrophobicContact CB-CZ3 3.63Å; E63-W72 HydrophobicContact CG-CH2 4.45Å; E63-W72 WeakPolarHBondContact OE2-CH2 3.49Å; W72-F74 AromaticContact CD1-CE2 3.79Å; W72-F74 AromaticContact NE1-CE2 3.68Å
73A90Very high84Confident8 Ų885.8 Ų85.87%0.06644%0.444CS..  trans-144.6134.4170.700000110.2M17 F20 M59 V60M17-A73 HydrophobicContact CE-CB 4.11Å; M17-A73 HydrophobicContact SD-CB 4.46Å; F20-A73 HydrophobicContact CB-CB 3.82Å; F20-A73 HydrophobicContact CD2-CB 4.49Å; F20-A73 HydrophobicContact CG-CB 4.07Å; M59-A73 WeakPolarHBondContact O-CB 3.35Å; V60-A73 HydrophobicContact CG2-CB 4.2Å
74F82.4Confident83.3Confident122 Ų12286.5 Ų86.554%0.53545%0.447SS..  trans-83.9137.8172.9-65.7-67.3000110.6W72 S76 K77W72-F74 AromaticContact CD1-CE2 3.79Å; W72-F74 AromaticContact NE1-CE2 3.68Å; F74-S76 PolarHBondContact O-N 3.14Å; F74-S76 VanDerWaalsContact O-N 3.11Å; F74-K77 HydrophobicContact CB-CB 4.29Å; F74-K77 WeakPolarHBondContact O-CB 3.29Å; F74-K77 PolarHBondContact O-N 2.77Å
75P72.6Confident82.7Confident74 Ų7484.9 Ų84.948%0.48145%0.445SS..THydrogen-bonded Turntrans-54.6-32.9175.6-26.133.2000113.3K24 K77K24-P75 HydrophobicContact CG-CG 4.48Å; P75-K77 VanDerWaalsContact C-N 3.3Å; P75-K77 PolarHBondContact O-N 2.99Å
76S71.5Confident82.4Confident74 Ų7484.6 Ų84.652%0.51744%0.444SS..THydrogen-bonded Turntrans-74-16.1177.754.80000114F74 L79 H80F74-S76 PolarHBondContact O-N 3.14Å; F74-S76 VanDerWaalsContact O-N 3.11Å; S76-L79 PolarHBondContact O-N 3.41Å; S76-H80 PolarHBondContact O-N 2.62Å
77K70Confident82.2Confident42 Ų4287.9 Ų87.918%0.18344%0.443CS..Hα-helixtrans-69-37.5-173-160.3-179.1-174.4-163.90112.4G58 D61 F74 P75 L79 H80 A81G58-K77 WeakPolarHBondContact O-CE 3.49Å; G58-K77 PolarHBondContact O-NZ 3.1Å; D61-K77 IonicContact OD1-NZ 2.64Å; D61-K77 PolarHBondContact OD1-NZ 3.5Å; D61-K77 WeakPolarHBondContact OD2-CD 3.38Å; D61-K77 VanDerWaalsContact OD2-CE 3.26Å; D61-K77 WeakPolarHBondContact OD2-CE 3.37Å; D61-K77 IonicContact OD2-NZ 2.69Å; D61-K77 PolarHBondContact OD2-NZ 3.11Å; F74-K77 HydrophobicContact CB-CB 4.29Å; F74-K77 WeakPolarHBondContact O-CB 3.29Å; F74-K77 PolarHBondContact O-N 2.77Å; P75-K77 VanDerWaalsContact C-N 3.3Å; P75-K77 PolarHBondContact O-N 2.99Å; K77-L79 VanDerWaalsContact C-N 3.28Å; K77-L79 PolarHBondContact O-N 2.97Å; K77-H80 PolarHBondContact O-N 3.46Å; K77-A81 VanDerWaalsContact O-CB 3.31Å; K77-A81 WeakPolarHBondContact O-CB 3.47Å; K77-A81 PolarHBondContact O-N 3.27Å
78A67.5Low82.2Confident46 Ų4683.9 Ų83.938%0.3842%0.418SS..Hα-helixtrans-61.1-38.6175.800000112R82A78-R82 WeakPolarHBondContact O-CB 3.34Å; A78-R82 VanDerWaalsContact O-CG 3.29Å; A78-R82 WeakPolarHBondContact O-CG 3.36Å; A78-R82 PolarHBondContact O-N 3.02Å; A78-R82 VanDerWaalsContact O-N 3.15Å
79L71.3Confident82.1Confident98 Ų9886.5 Ų86.551%0.51343%0.428SS..Hα-helixtrans-69.9-43176.1-177.8137.8000111.4S76 K77 R82 K83S76-L79 PolarHBondContact O-N 3.41Å; K77-L79 VanDerWaalsContact C-N 3.28Å; K77-L79 PolarHBondContact O-N 2.97Å; L79-R82 PolarHBondContact O-N 3.41Å; L79-K83 HydrophobicContact CD2-CD 3.93Å; L79-K83 WeakPolarHBondContact O-CG 3.35Å; L79-K83 PolarHBondContact O-N 3.27Å
80H72.2Confident82.1Confident130 Ų13088.7 Ų88.760%0.60244%0.436SS*.Hα-helixtrans-63.7-45.7176.7-112.588.6000112.5S76 K77 R82 K83 H84S76-H80 PolarHBondContact O-N 2.62Å; K77-H80 PolarHBondContact O-N 3.46Å; H80-R82 VanDerWaalsContact C-N 3.32Å; H80-R82 PolarHBondContact O-N 3.39Å; H80-K83 PolarHBondContact O-N 3.47Å; H80-H84 WeakPolarHBondContact O-CB 3.43Å; H80-H84 PolarHBondContact O-N 3.34Å
81A71.7Confident82Confident44 Ų4488.1 Ų88.136%0.36444%0.443SS..Hα-helixtrans-60.8-41.5178.100000111.7K77 K85K77-A81 VanDerWaalsContact O-CB 3.31Å; K77-A81 WeakPolarHBondContact O-CB 3.47Å; K77-A81 PolarHBondContact O-N 3.27Å; A81-K85 WeakPolarHBondContact O-CB 3.35Å; A81-K85 PolarHBondContact O-N 2.95Å
82R73.6Confident81.9Confident200 Ų20092.7 Ų92.776%0.75547%0.465SS*.Hα-helixtrans-64.3-45.3174.8-75.7178-177.3-169.91.6112.1A78 L79 H80 K85 L86A78-R82 WeakPolarHBondContact O-CB 3.34Å; A78-R82 VanDerWaalsContact O-CG 3.29Å; A78-R82 WeakPolarHBondContact O-CG 3.36Å; A78-R82 PolarHBondContact O-N 3.02Å; A78-R82 VanDerWaalsContact O-N 3.15Å; L79-R82 PolarHBondContact O-N 3.41Å; H80-R82 VanDerWaalsContact C-N 3.32Å; H80-R82 PolarHBondContact O-N 3.39Å; R82-K85 PolarHBondContact O-N 2.96Å; R82-L86 WeakPolarHBondContact O-CB 3.39Å; R82-L86 PolarHBondContact O-N 3.16Å
83K79Confident81.9Confident130 Ų13096.8 Ų96.857%0.56549%0.49SS*.Hα-helixtrans-60.8-48.4176.9-77.3-175.3174.3-174.30111.9L79 H80 K85 L86 E87L79-K83 HydrophobicContact CD2-CD 3.93Å; L79-K83 WeakPolarHBondContact O-CG 3.35Å; L79-K83 PolarHBondContact O-N 3.27Å; H80-K83 PolarHBondContact O-N 3.47Å; K83-K85 VanDerWaalsContact C-N 3.34Å; K83-K85 PolarHBondContact O-N 2.89Å; K83-L86 WeakPolarHBondContact O-CB 3.34Å; K83-L86 PolarHBondContact O-N 3.18Å; K83-E87 PolarHBondContact O-N 3.08Å
84H81.2Confident82.1Confident122 Ų12299.7 Ų99.757%0.56551%0.509SS*.Hα-helixtrans-60.8-42.9177.8179.2-91.9000111.8H80 L86 E87 V88H80-H84 WeakPolarHBondContact O-CB 3.43Å; H80-H84 PolarHBondContact O-N 3.34Å; H84-L86 VanDerWaalsContact C-N 3.3Å; H84-L86 PolarHBondContact O-N 3.41Å; H84-E87 PolarHBondContact O-N 3.36Å; H84-V88 WeakPolarHBondContact O-CG2 3.46Å; H84-V88 PolarHBondContact O-N 3.49Å
85K83.1Confident82.7Confident143 Ų14398.1 Ų98.162%0.62250%0.504SS*.Hα-helixtrans-64.9-35.9177.2-169.3146.2-174.7169.60112.5A81 R82 K83 L89A81-K85 WeakPolarHBondContact O-CB 3.35Å; A81-K85 PolarHBondContact O-N 2.95Å; R82-K85 PolarHBondContact O-N 2.96Å; K83-K85 VanDerWaalsContact C-N 3.34Å; K83-K85 PolarHBondContact O-N 2.89Å; K85-L89 HydrophobicContact CG-CD1 4.32Å; K85-L89 WeakPolarHBondContact O-CB 3.39Å; K85-L89 VanDerWaalsContact O-CG 3.27Å; K85-L89 WeakPolarHBondContact O-CG 3.49Å; K85-L89 PolarHBondContact O-N 3.3Å; K85-L89 VanDerWaalsContact O-N 3.08Å
86L87.3Confident83.7Confident93 Ų9396.4 Ų96.449%0.48750%0.499SS..Hα-helixtrans-63.6-48.9174.7-161162.9000110.3R82 K83 H84 V88 L89 E90R82-L86 WeakPolarHBondContact O-CB 3.39Å; R82-L86 PolarHBondContact O-N 3.16Å; K83-L86 WeakPolarHBondContact O-CB 3.34Å; K83-L86 PolarHBondContact O-N 3.18Å; H84-L86 VanDerWaalsContact C-N 3.3Å; H84-L86 PolarHBondContact O-N 3.41Å; L86-V88 PolarHBondContact O-N 3.07Å; L86-L89 PolarHBondContact O-N 2.98Å; L86-L89 VanDerWaalsContact O-N 3.16Å; L86-E90 HydrophobicContact CD2-CG 3.84Å; L86-E90 WeakPolarHBondContact CD2-OE1 3.37Å; L86-E90 WeakPolarHBondContact O-CG 3.27Å; L86-E90 PolarHBondContact O-N 2.98Å
87E90.3Very high84.7Confident130 Ų13096.6 Ų96.661%0.60750%0.501SS*.Hα-helixtrans-59.4-43.1178-172.5175.4-167.600112.5K83 H84 L89 E90 S91K83-E87 PolarHBondContact O-N 3.08Å; H84-E87 PolarHBondContact O-N 3.36Å; E87-L89 PolarHBondContact O-N 2.77Å; E87-E90 PolarHBondContact O-N 3.34Å; E87-S91 PolarHBondContact O-N 2.88Å
88V91.1Very high85.8Confident56 Ų56101.2 Ų101.234%0.33952%0.523SS..Hα-helixtrans-61.6-44.9175.1170.50000111.6H84 L86 S91 Q92H84-V88 WeakPolarHBondContact O-CG2 3.46Å; H84-V88 PolarHBondContact O-N 3.49Å; L86-V88 PolarHBondContact O-N 3.07Å; V88-S91 PolarHBondContact O-N 3.33Å; V88-Q92 WeakPolarHBondContact O-CG 3.49Å; V88-Q92 PolarHBondContact O-N 3.29Å
89L91.4Very high87Confident95 Ų95104.8 Ų104.850%0.49753%0.53SS..Hα-helixtrans-66-38.5178.9-73.4170.4000111.9K85 L86 E87 Q92 L93K85-L89 HydrophobicContact CG-CD1 4.32Å; K85-L89 WeakPolarHBondContact O-CB 3.39Å; K85-L89 VanDerWaalsContact O-CG 3.27Å; K85-L89 WeakPolarHBondContact O-CG 3.49Å; K85-L89 PolarHBondContact O-N 3.3Å; K85-L89 VanDerWaalsContact O-N 3.08Å; L86-L89 PolarHBondContact O-N 2.98Å; L86-L89 VanDerWaalsContact O-N 3.16Å; E87-L89 PolarHBondContact O-N 2.77Å; L89-Q92 PolarHBondContact O-N 3.46Å; L89-L93 WeakPolarHBondContact O-CB 3.4Å; L89-L93 PolarHBondContact O-N 3.41Å
90E93.7Very high88Confident118 Ų118105.3 Ų105.355%0.55153%0.53SS*.Hα-helixtrans-63.2-43.1174.2-76.1178.815900111.7L86 E87 L93 S94L86-E90 HydrophobicContact CD2-CG 3.84Å; L86-E90 WeakPolarHBondContact CD2-OE1 3.37Å; L86-E90 WeakPolarHBondContact O-CG 3.27Å; L86-E90 PolarHBondContact O-N 2.98Å; E87-E90 PolarHBondContact O-N 3.34Å; E90-L93 PolarHBondContact O-N 3.35Å; E90-S94 WeakPolarHBondContact O-CB 3.15Å; E90-S94 PolarHBondContact O-N 2.9Å
91S93.1Very high88.9Confident61 Ų61101.1 Ų101.143%0.42752%0.517SS..Hα-helixtrans-60.4-47.1174.6-169.40000111.5E87 V88 L93 S94 E95E87-S91 PolarHBondContact O-N 2.88Å; V88-S91 PolarHBondContact O-N 3.33Å; S91-L93 VanDerWaalsContact C-N 3.33Å; S91-L93 PolarHBondContact O-N 2.88Å; S91-S94 WeakPolarHBondContact O-CB 3.44Å; S91-S94 PolarHBondContact O-N 3.4Å; S91-E95 WeakPolarHBondContact O-CG 3.34Å; S91-E95 PolarHBondContact O-N 2.91Å
92Q93.9Very high89.9Confident113 Ų113102 Ų10253%0.52852%0.521SS..Hα-helixtrans-62.2-39.5177.8-73.1177.8-800112.4V88 L89 G96V88-Q92 WeakPolarHBondContact O-CG 3.49Å; V88-Q92 PolarHBondContact O-N 3.29Å; L89-Q92 PolarHBondContact O-N 3.46Å; Q92-G96 PolarHBondContact O-N 3.42Å
93L93.4Very high90.7Very high133 Ų13397.7 Ų97.770%0.69651%0.512SS*.Hα-helixtrans-64.8-44.1176.2-174.669.5000111.2L89 E90 S91 G96 S97L89-L93 WeakPolarHBondContact O-CB 3.4Å; L89-L93 PolarHBondContact O-N 3.41Å; E90-L93 PolarHBondContact O-N 3.35Å; S91-L93 VanDerWaalsContact C-N 3.33Å; S91-L93 PolarHBondContact O-N 2.88Å; L93-G96 PolarHBondContact O-N 2.9Å; L93-S97 VanDerWaalsContact O-CB 3.28Å; L93-S97 WeakPolarHBondContact O-CB 3.48Å; L93-S97 PolarHBondContact O-N 2.93Å
94S94.5Very high91.3Very high69 Ų6996.6 Ų96.648%0.48351%0.509SS..Hα-helixtrans-60.9-49.5176.8-176.60000111.6E90 S91 G96 S97 Q98E90-S94 WeakPolarHBondContact O-CB 3.15Å; E90-S94 PolarHBondContact O-N 2.9Å; S91-S94 WeakPolarHBondContact O-CB 3.44Å; S91-S94 PolarHBondContact O-N 3.4Å; S94-G96 PolarHBondContact O-N 3.39Å; S94-S97 PolarHBondContact O-N 3.5Å; S94-Q98 PolarHBondContact O-N 2.92Å
95E94.6Very high91.7Very high90 Ų9097.7 Ų97.742%0.42151%0.512SS..Hα-helixtrans-61-44.3176.2-75.1-179.9-150.500112.3S91 S97 Q98 K99S91-E95 WeakPolarHBondContact O-CG 3.34Å; S91-E95 PolarHBondContact O-N 2.91Å; E95-S97 VanDerWaalsContact C-N 3.33Å; E95-S97 PolarHBondContact O-N 2.92Å; E95-Q98 PolarHBondContact O-N 3.28Å; E95-K99 WeakPolarHBondContact O-CB 3.43Å; E95-K99 VanDerWaalsContact O-CG 3.28Å; E95-K99 WeakPolarHBondContact O-CG 3.28Å; E95-K99 PolarHBondContact O-N 3.25Å; E95-K99 IonicContact OE2-NZ 3.68Å
96G92.6Very high91.9Very high37 Ų3794.3 Ų94.338%0.38151%0.506SS..Hα-helixtrans-61-42.9177.100000111.9Q92 L93 S94 K99 H100Q92-G96 PolarHBondContact O-N 3.42Å; L93-G96 PolarHBondContact O-N 2.9Å; S94-G96 PolarHBondContact O-N 3.39Å; G96-K99 PolarHBondContact O-N 3.42Å; G96-H100 WeakPolarHBondContact O-CB 3.48Å; G96-H100 PolarHBondContact O-N 3.3Å
97S92.8Very high92Very high78 Ų7894.2 Ų94.255%0.54551%0.506SS..Hα-helixtrans-64-45.3176.5-174.80000112.1L93 S94 E95 K99 H100 A101L93-S97 VanDerWaalsContact O-CB 3.28Å; L93-S97 WeakPolarHBondContact O-CB 3.48Å; L93-S97 PolarHBondContact O-N 2.93Å; S94-S97 PolarHBondContact O-N 3.5Å; E95-S97 VanDerWaalsContact C-N 3.33Å; E95-S97 PolarHBondContact O-N 2.92Å; S97-K99 PolarHBondContact O-N 3.48Å; S97-H100 PolarHBondContact O-N 3.42Å; S97-A101 WeakPolarHBondContact O-CB 3.28Å; S97-A101 PolarHBondContact O-N 3.25Å
98Q93.4Very high91.8Very high139 Ų13993.9 Ų93.965%0.6550%0.504SS*.Hα-helixtrans-60.4-45.7174.4-87.2-175-28.500112.3S94 E95 H100 A101 S102S94-Q98 PolarHBondContact O-N 2.92Å; E95-Q98 PolarHBondContact O-N 3.28Å; Q98-H100 VanDerWaalsContact C-N 3.35Å; Q98-H100 PolarHBondContact O-N 3.41Å; Q98-A101 PolarHBondContact O-N 3.49Å; Q98-S102 WeakPolarHBondContact O-CB 3.37Å; Q98-S102 PolarHBondContact O-N 2.74Å; Q98-S102 PolarHBondContact O-OG 3.33Å
99K93.3Very high91.5Very high122 Ų12298.8 Ų98.853%0.5352%0.521SS..Hα-helixtrans-58.8-47.5176.2-75.2169.2-174.9162.50110.5E95 G96 S97 A101 S102 L103E95-K99 WeakPolarHBondContact O-CB 3.43Å; E95-K99 VanDerWaalsContact O-CG 3.28Å; E95-K99 WeakPolarHBondContact O-CG 3.28Å; E95-K99 PolarHBondContact O-N 3.25Å; E95-K99 IonicContact OE2-NZ 3.68Å; G96-K99 PolarHBondContact O-N 3.42Å; S97-K99 PolarHBondContact O-N 3.48Å; K99-A101 PolarHBondContact O-N 2.86Å; K99-S102 PolarHBondContact O-N 2.91Å; K99-S102 PolarHBondContact O-OG 3.07Å; K99-L103 WeakPolarHBondContact O-CB 3.49Å; K99-L103 WeakPolarHBondContact O-CG 3.43Å; K99-L103 PolarHBondContact O-N 3.45Å
100H91.1Very high90.9Very high109 Ų10997 Ų9751%0.50552%0.519SS..Hα-helixtrans-58.6-47.5177.4-179.1-94.4000112.2G96 S97 Q98 S102 L103 Q104G96-H100 WeakPolarHBondContact O-CB 3.48Å; G96-H100 PolarHBondContact O-N 3.3Å; S97-H100 PolarHBondContact O-N 3.42Å; Q98-H100 VanDerWaalsContact C-N 3.35Å; Q98-H100 PolarHBondContact O-N 3.41Å; H100-S102 VanDerWaalsContact C-N 3.35Å; H100-S102 PolarHBondContact O-N 3.49Å; H100-L103 PolarHBondContact O-N 2.85Å; H100-Q104 PolarHBondContact CE1-NE2 2.91Å; H100-Q104 PolarHBondContact O-N 3.19Å
101A92.8Very high90.2Very high41 Ų4198 Ų9834%0.33952%0.522SS..Hα-helixtrans-61.9-40.6177.800000112.6S97 Q98 K99 Q104 K105S97-A101 WeakPolarHBondContact O-CB 3.28Å; S97-A101 PolarHBondContact O-N 3.25Å; Q98-A101 PolarHBondContact O-N 3.49Å; K99-A101 PolarHBondContact O-N 2.86Å; A101-Q104 PolarHBondContact O-N 2.96Å; A101-K105 WeakPolarHBondContact O-CG 3.35Å; A101-K105 PolarHBondContact O-N 3.32Å; A101-K105 VanDerWaalsContact O-N 3.07Å
102S91.2Very high89.3Confident63 Ų6399.5 Ų99.544%0.44152%0.524SS..Hα-helixtrans-67.4-38.5178.1720000112.7Q98 K99 H100 S106Q98-S102 WeakPolarHBondContact O-CB 3.37Å; Q98-S102 PolarHBondContact O-N 2.74Å; Q98-S102 PolarHBondContact O-OG 3.33Å; K99-S102 PolarHBondContact O-N 2.91Å; K99-S102 PolarHBondContact O-OG 3.07Å; H100-S102 VanDerWaalsContact C-N 3.35Å; H100-S102 PolarHBondContact O-N 3.49Å; S102-S106 PolarHBondContact O-N 3.1Å; S102-S106 PolarHBondContact O-OG 3.45Å
103L91.6Very high87.8Confident109 Ų10995.7 Ų95.757%0.57152%0.515SS*.Hα-helixtrans-68.5-42.8176-74170.1000111K99 H100 K105 S106 I107K99-L103 WeakPolarHBondContact O-CB 3.49Å; K99-L103 WeakPolarHBondContact O-CG 3.43Å; K99-L103 PolarHBondContact O-N 3.45Å; H100-L103 PolarHBondContact O-N 2.85Å; L103-K105 PolarHBondContact O-N 2.86Å; L103-S106 WeakPolarHBondContact O-CB 3.45Å; L103-S106 PolarHBondContact O-N 3.06Å; L103-S106 VanDerWaalsContact O-N 3.1Å; L103-I107 WeakPolarHBondContact O-CG1 3.39Å; L103-I107 PolarHBondContact O-N 2.9Å
104Q91Very high86.2Confident107 Ų10799 Ų9950%0.552%0.519SS..Hα-helixtrans-58.4-46.3174.8-80.7-168.3-34.600112H100 A101 S106 I107 E108H100-Q104 PolarHBondContact CE1-NE2 2.91Å; H100-Q104 PolarHBondContact O-N 3.19Å; A101-Q104 PolarHBondContact O-N 2.96Å; Q104-S106 VanDerWaalsContact C-N 3.26Å; Q104-S106 PolarHBondContact O-N 3.33Å; Q104-I107 WeakPolarHBondContact O-CB 3.37Å; Q104-I107 PolarHBondContact O-N 3.23Å; Q104-E108 PolarHBondContact O-N 3.36Å
105K89.9Confident84.3Confident146 Ų14699.7 Ų99.764%0.63552%0.522SS*.Hα-helixtrans-59.5-37.8174.6-74.2177.7-178.6179.20112.4A101 L103 E108 K109A101-K105 WeakPolarHBondContact O-CG 3.35Å; A101-K105 PolarHBondContact O-N 3.32Å; A101-K105 VanDerWaalsContact O-N 3.07Å; L103-K105 PolarHBondContact O-N 2.86Å; K105-E108 PolarHBondContact O-N 3.47Å; K105-K109 WeakPolarHBondContact O-CG 3.34Å; K105-K109 PolarHBondContact O-N 2.95Å; K105-K109 VanDerWaalsContact O-N 3.07Å
106S87.8Confident82.2Confident72 Ų72101.4 Ų101.450%0.50353%0.53SS..Hα-helixtrans-69.1-39177.7-57.50000111.8S102 L103 Q104 K109 A110S102-S106 PolarHBondContact O-N 3.1Å; S102-S106 PolarHBondContact O-OG 3.45Å; L103-S106 WeakPolarHBondContact O-CB 3.45Å; L103-S106 PolarHBondContact O-N 3.06Å; L103-S106 VanDerWaalsContact O-N 3.1Å; Q104-S106 VanDerWaalsContact C-N 3.26Å; Q104-S106 PolarHBondContact O-N 3.33Å; S106-K109 PolarHBondContact O-N 3.48Å; S106-A110 WeakPolarHBondContact O-CB 3.34Å; S106-A110 PolarHBondContact O-N 3.07Å
107I88.6Confident80.3Confident91 Ų91103.5 Ų103.547%0.46754%0.536SS..Hα-helixtrans-62.6-45.2173.3-69.5166.1000110.6L103 Q104 A110 K111L103-I107 WeakPolarHBondContact O-CG1 3.39Å; L103-I107 PolarHBondContact O-N 2.9Å; Q104-I107 WeakPolarHBondContact O-CB 3.37Å; Q104-I107 PolarHBondContact O-N 3.23Å; I107-A110 PolarHBondContact O-N 3.42Å; I107-K111 HydrophobicContact CG2-CD 4.14Å; I107-K111 HydrophobicContact CG2-CG 4.44Å; I107-K111 WeakPolarHBondContact O-CB 3.37Å; I107-K111 WeakPolarHBondContact O-CG 3.49Å; I107-K111 PolarHBondContact O-N 2.91Å
108E85.6Confident78.3Confident123 Ų123103 Ų10358%0.57554%0.536SS*.Hα-helixtrans-56.8-51.1176.8-160.491.9-152.300111.1Q104 K105 A110 K111 I112Q104-E108 PolarHBondContact O-N 3.36Å; K105-E108 PolarHBondContact O-N 3.47Å; E108-A110 PolarHBondContact O-N 3.01Å; E108-K111 WeakPolarHBondContact O-CB 3.49Å; E108-K111 PolarHBondContact O-N 3Å; E108-I112 HydrophobicContact CG-CD1 4.37Å; E108-I112 WeakPolarHBondContact O-CG1 3.5Å; E108-I112 PolarHBondContact O-N 3.35Å
109K84.9Confident76.2Confident158 Ų158104.3 Ų104.369%0.68754%0.54SS*.Hα-helixtrans-59.7-43.8177.3-73.1178.9179.5-173.50112.3K105 S106 K111 I112 G113K105-K109 WeakPolarHBondContact O-CG 3.34Å; K105-K109 PolarHBondContact O-N 2.95Å; K105-K109 VanDerWaalsContact O-N 3.07Å; S106-K109 PolarHBondContact O-N 3.48Å; K109-K111 VanDerWaalsContact C-N 3.33Å; K109-K111 PolarHBondContact O-N 3.47Å; K109-I112 PolarHBondContact O-N 2.83Å; K109-G113 PolarHBondContact O-N 3.2Å
110A80Confident74.1Confident57 Ų57106.4 Ų106.447%0.47155%0.551SS.*Hα-helixtrans-66.1-34.3178.400000112.7S106 I107 E108 R114S106-A110 WeakPolarHBondContact O-CB 3.34Å; S106-A110 PolarHBondContact O-N 3.07Å; I107-A110 PolarHBondContact O-N 3.42Å; E108-A110 PolarHBondContact O-N 3.01Å; A110-R114 PolarHBondContact O-N 2.9Å
111K78.1Confident72.2Confident141 Ų141108 Ų10861%0.61356%0.562SS**Hα-helixtrans-66.9-44.3173.9-76.8176.7178.7179.60111.8I107 E108 K109 R114 C115I107-K111 HydrophobicContact CG2-CD 4.14Å; I107-K111 HydrophobicContact CG2-CG 4.44Å; I107-K111 WeakPolarHBondContact O-CB 3.37Å; I107-K111 WeakPolarHBondContact O-CG 3.49Å; I107-K111 PolarHBondContact O-N 2.91Å; E108-K111 WeakPolarHBondContact O-CB 3.49Å; E108-K111 PolarHBondContact O-N 3Å; K109-K111 VanDerWaalsContact C-N 3.33Å; K109-K111 PolarHBondContact O-N 3.47Å; K111-R114 PolarHBondContact O-N 3.31Å; K111-C115 PolarHBondContact O-N 3.39Å
112I74Confident69.8Low92 Ų92118 Ų11847%0.47260%0.598SS.*Hα-helixtrans-61.3-48.2177.2-65.4165000110E108 K109 R114 C115 E116E108-I112 HydrophobicContact CG-CD1 4.37Å; E108-I112 WeakPolarHBondContact O-CG1 3.5Å; E108-I112 PolarHBondContact O-N 3.35Å; K109-I112 PolarHBondContact O-N 2.83Å; I112-R114 VanDerWaalsContact C-N 3.34Å; I112-R114 PolarHBondContact O-N 3.21Å; I112-C115 PolarHBondContact O-N 3.22Å; I112-C115 VanDerWaalsContact O-N 3.08Å; I112-E116 PolarHBondContact O-N 3.33Å; I112-E116 VanDerWaalsContact O-N 3.1Å
113G63.1Low68.7Low33 Ų33120.7 Ų120.734%0.3461%0.606SS.*Hα-helixtrans-57-40.6178.500000113.9K109 T117K109-G113 PolarHBondContact O-N 3.2Å; G113-T117 PolarHBondContact O-N 3.4Å; G113-T117 PolarHBondContact O-OG1 3.3Å
114R58.7Low67.5Low203 Ų203121.3 Ų121.377%0.76661%0.608SS**Hα-helixtrans-67.8-34.7175.5-78.5-175.2-158.6-170.94.4113.7A110 K111 I112 A118A110-R114 PolarHBondContact O-N 2.9Å; K111-R114 PolarHBondContact O-N 3.31Å; I112-R114 VanDerWaalsContact C-N 3.34Å; I112-R114 PolarHBondContact O-N 3.21Å; R114-A118 PolarHBondContact O-N 3.37Å
115C55Low66.2Low82 Ų82122.1 Ų122.155%0.55461%0.614SS**Hα-helixtrans-72.1-31.6178.9-102.20000112.5K111 I112 K119K111-C115 PolarHBondContact O-N 3.39Å; I112-C115 PolarHBondContact O-N 3.22Å; I112-C115 VanDerWaalsContact O-N 3.08Å; C115-K119 WeakPolarHBondContact O-CG 3.43Å; C115-K119 PolarHBondContact O-N 3.41Å
116E50.9Low64.8Low127 Ų127120.7 Ų120.759%0.59361%0.612SS**Hα-helixtrans-71.9-41176.9-70.1-171.6148.300112.1I112 A118 K119 Q120I112-E116 PolarHBondContact O-N 3.33Å; I112-E116 VanDerWaalsContact O-N 3.1Å; E116-A118 VanDerWaalsContact C-N 3.31Å; E116-A118 PolarHBondContact O-N 3.1Å; E116-K119 PolarHBondContact O-N 3.08Å; E116-Q120 PolarHBondContact O-N 3.2Å
117T52.3Low63.4Low81 Ų81123.8 Ų123.850%0.49762%0.619SS.*Hα-helixtrans-65.7-34.4177.5-160000112.3G113 K119 I121G113-T117 PolarHBondContact O-N 3.4Å; G113-T117 PolarHBondContact O-OG1 3.3Å; T117-K119 VanDerWaalsContact C-N 3.32Å; T117-K119 PolarHBondContact O-N 3.47Å; T117-I121 WeakPolarHBondContact O-CD1 3.46Å; T117-I121 WeakPolarHBondContact O-CG1 3.39Å
118A50.3Low61.7Low67 Ų67125.9 Ų125.955%0.55463%0.629SS**Hα-helixtrans-72.2-22.9177.500000113.7R114 E116R114-A118 PolarHBondContact O-N 3.37Å; E116-A118 VanDerWaalsContact C-N 3.31Å; E116-A118 PolarHBondContact O-N 3.1Å
119K50.5Low60Low167 Ų167126.1 Ų126.173%0.72663%0.633SS**Hα-helixtrans-85-21.7177-75.7179.6-179.6-179.10113.4C115 E116 T117C115-K119 WeakPolarHBondContact O-CG 3.43Å; C115-K119 PolarHBondContact O-N 3.41Å; E116-K119 PolarHBondContact O-N 3.08Å; T117-K119 VanDerWaalsContact C-N 3.32Å; T117-K119 PolarHBondContact O-N 3.47Å
120Q49.7Very low58.1Low165 Ų165123.7 Ų123.777%0.77163%0.629SS**THydrogen-bonded Turntrans-84.7-5.8177.2-84.6175.2-33.300114.4E116E116-Q120 PolarHBondContact O-N 3.2Å
121I50.8Low56.2Low142 Ų142129.3 Ų129.373%0.72864%0.642SS**THydrogen-bonded Turntrans-103.723.3-179.5-53.2167.2000111.4T117T117-I121 WeakPolarHBondContact O-CD1 3.46Å; T117-I121 WeakPolarHBondContact O-CG1 3.39Å
122K41.7Very low54.3Low251 Ų251128.2 Ų128.2100%1.09165%0.645SS**  trans-121.10170.9-80.3-171.6176.8-174.80110.1

Retrieved 122 of 122 residues in 95.5 ms (Link to these results)

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