A0A077ZFQ5_TRITR Loading...

Cation channel complex component UNC80 N-terminal domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZFQ5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 424 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
1M37.4Very low35.5Very low243 Ų243135.9 Ų135.9100%1.19771%0.707SS**  0116.20-69.7168173.700106.8
2V31.8Very low35Very low136 Ų136135.3 Ų135.382%0.82470%0.695SS**  trans-126.4113.5175.1179.90000106.2
3T37.3Very low34.7Very low134 Ų134135.8 Ų135.882%0.82269%0.693SS**  trans-92.396.8176.446.60000108.2
4S34.5Very low34.9Very low76 Ų76131.1 Ų131.153%0.53167%0.673SS.*  trans-61.9126.6-179.5-56.80000111.3D6S4-D6 VanDerWaalsContact C-N 3.3Å; S4-D6 PolarHBondContact O-N 3.34Å
5P43Very low35.1Very low88 Ų88128.5 Ų128.557%0.57166%0.661SS**THydrogen-bonded Turntrans-69.5-25.3-179.527.9-33.8000113.3L7 L8P5-L7 PolarHBondContact O-N 3.4Å; P5-L8 PolarHBondContact O-N 2.95Å
6D36.3Very low35.1Very low96 Ų96129 Ų12951%0.51366%0.66SS.*Hα-helixtrans-48.9-36.3-177.1-55.5-96000114.1S4 L8 E9 R10S4-D6 VanDerWaalsContact C-N 3.3Å; S4-D6 PolarHBondContact O-N 3.34Å; D6-L8 PolarHBondContact O-N 3.5Å; D6-E9 PolarHBondContact O-N 2.87Å; D6-R10 WeakPolarHBondContact O-CB 3.22Å; D6-R10 PolarHBondContact O-N 3.05Å; D6-R10 VanDerWaalsContact O-N 3.1Å
7L34.8Very low35.8Very low138 Ų138124.2 Ų124.272%0.72365%0.65SS**Hα-helixtrans-72-13.3-176.9-107.6170.3000113.8P5 K11P5-L7 PolarHBondContact O-N 3.4Å; L7-K11 WeakPolarHBondContact O-CB 3.43Å
8L34.1Very low37.1Very low136 Ų136124 Ų12471%0.71264%0.639SS**Hα-helixtrans-95.3-39.3173.5-13376.5000111.9P5 D6 K11 K12P5-L8 PolarHBondContact O-N 2.95Å; D6-L8 PolarHBondContact O-N 3.5Å; L8-K11 WeakPolarHBondContact O-CB 3.5Å; L8-K11 PolarHBondContact O-N 2.79Å; L8-K12 PolarHBondContact O-N 3.22Å
9E32.7Very low39.2Very low131 Ų131122.6 Ų122.661%0.61264%0.64SS**Hα-helixtrans-70.5-47.1-178.1-65.4-176.4134.900111.2D6 K11 K12 E13D6-E9 PolarHBondContact O-N 2.87Å; E9-K11 PolarHBondContact O-N 2.89Å; E9-K12 PolarHBondContact O-N 3.32Å; E9-E13 PolarHBondContact O-N 2.96Å
10R34.3Very low41.6Very low182 Ų182117.3 Ų117.369%0.68761%0.613SS**Hα-helixtrans-56.3-21.3170.6-163.3-175.5-63.6-158.2-0.2112.9D6 T14D6-R10 WeakPolarHBondContact O-CB 3.22Å; D6-R10 PolarHBondContact O-N 3.05Å; D6-R10 VanDerWaalsContact O-N 3.1Å; R10-T14 VanDerWaalsContact O-CG2 3.28Å; R10-T14 WeakPolarHBondContact O-CG2 3.42Å; R10-T14 PolarHBondContact O-OG1 3.09Å
11K34.1Very low44.1Very low135 Ų135113.3 Ų113.359%0.58759%0.594SS**Hα-helixtrans-91.9-11.6179-156.5170.9-172.2171.90114L7 L8 E9 T14L7-K11 WeakPolarHBondContact O-CB 3.43Å; L8-K11 WeakPolarHBondContact O-CB 3.5Å; L8-K11 PolarHBondContact O-N 2.79Å; E9-K11 PolarHBondContact O-N 2.89Å; K11-T14 WeakPolarHBondContact CA-OG1 3.4Å; K11-T14 PolarHBondContact O-OG1 2.98Å
12K30.2Very low46.8Very low129 Ų129107.3 Ų107.356%0.56157%0.566SS**Hα-helixtrans-90.9-49.5176.7-167.5-178.4173.5-167.60111.1L8 E9 T14 N15 E16L8-K12 PolarHBondContact O-N 3.22Å; E9-K12 PolarHBondContact O-N 3.32Å; K12-T14 VanDerWaalsContact C-N 3.26Å; K12-T14 PolarHBondContact O-N 3.13Å; K12-N15 PolarHBondContact O-N 3.41Å; K12-E16 WeakPolarHBondContact CE-OE1 3.33Å; K12-E16 IonicContact NZ-OE1 3.61Å; K12-E16 PolarHBondContact O-N 2.85Å
13E30.4Very low49.9Very low142 Ų142102.6 Ų102.666%0.66454%0.538SS*.Hα-helixtrans-55.3-42.9176.8-61.9177.613600111.8E9 N15 G17E9-E13 PolarHBondContact O-N 2.96Å; E13-N15 PolarHBondContact O-N 3.43Å; E13-G17 PolarHBondContact O-N 3.16Å
14T38.4Very low52.7Low69 Ų6996.2 Ų96.242%0.42350%0.499SS..Hα-helixtrans-66-0.4179.545.70000114.9R10 K11 K12 R18R10-T14 VanDerWaalsContact O-CG2 3.28Å; R10-T14 WeakPolarHBondContact O-CG2 3.42Å; R10-T14 PolarHBondContact O-OG1 3.09Å; K11-T14 WeakPolarHBondContact CA-OG1 3.4Å; K11-T14 PolarHBondContact O-OG1 2.98Å; K12-T14 VanDerWaalsContact C-N 3.26Å; K12-T14 PolarHBondContact O-N 3.13Å; T14-R18 WeakPolarHBondContact O-CD 3.39Å; T14-R18 WeakPolarHBondContact O-CG 3.28Å; T14-R18 PolarHBondContact O-NE 3.23Å; T14-R18 PolarHBondContact O-NH2 3.07Å
15N36.6Very low55.6Low92 Ų9296.7 Ų96.749%0.49249%0.493SS..Hα-helixtrans-122.8-37.6174.1-145.818000113.4K12 E13 G17 R18K12-N15 PolarHBondContact O-N 3.41Å; E13-N15 PolarHBondContact O-N 3.43Å; N15-G17 VanDerWaalsContact C-N 3.34Å; N15-R18 WeakPolarHBondContact O-CB 3.46Å; N15-R18 PolarHBondContact O-N 3.26Å
16E35Very low58.1Low137 Ų13795.5 Ų95.564%0.6448%0.484SS*.Hα-helixtrans-65-41.7172.6-69.8176.6-178.400110.5K12 R18K12-E16 WeakPolarHBondContact CE-OE1 3.33Å; K12-E16 IonicContact NZ-OE1 3.61Å; K12-E16 PolarHBondContact O-N 2.85Å; E16-R18 PolarHBondContact O-N 3.31Å
17G47.8Very low61.1Low47 Ų4791.5 Ų91.549%0.48546%0.462SS..THydrogen-bonded Turntrans-72.218.2172.800000115.6E13 N15 R78E13-G17 PolarHBondContact O-N 3.16Å; N15-G17 VanDerWaalsContact C-N 3.34Å; G17-R78 PolarHBondContact O-NH1 3.26Å; G17-R78 PolarHBondContact O-NH2 2.79Å
18R59.5Low64Low121 Ų12184.9 Ų84.946%0.45743%0.428SS..THydrogen-bonded Turntrans-105.4-13.8178.6-77.7-173.8177.415811.5116.1T14 N15 E16T14-R18 WeakPolarHBondContact O-CD 3.39Å; T14-R18 WeakPolarHBondContact O-CG 3.28Å; T14-R18 PolarHBondContact O-NE 3.23Å; T14-R18 PolarHBondContact O-NH2 3.07Å; N15-R18 WeakPolarHBondContact O-CB 3.46Å; N15-R18 PolarHBondContact O-N 3.26Å; E16-R18 PolarHBondContact O-N 3.31Å
19C76.1Confident67Low97 Ų9785.2 Ų85.266%0.65542%0.42SS*.  trans-74.2152.2-179.6-158.20000111.8
20V88.2Confident70Confident17 Ų1787.4 Ų87.410%0.10342%0.422CS..  trans-117.7132.4174.51750000108.1V24 Q25 I74 R78 T82V20-V24 HydrophobicContact CG1-CB 3.75Å; V20-V24 HydrophobicContact CG1-CG1 3.56Å; V20-Q25 HydrophobicContact CB-CG 4.4Å; V20-Q25 HydrophobicContact CG1-CG 4.2Å; V20-Q25 PolarHBondContact O-NE2 3.24Å; V20-I74 HydrophobicContact CG1-CD1 4.44Å; V20-R78 HydrophobicContact CG2-CG 4.18Å; V20-T82 HydrophobicContact CG1-CG2 4.28Å; V20-T82 HydrophobicContact CG2-CG2 4.09Å; V20-T82 WeakPolarHBondContact CG2-OG1 3.3Å
21P93.8Very high72.9Confident34 Ų3480.3 Ų80.322%0.22140%0.397CS..  trans-57142.8-177.2-29.437.4000114.2P23 V24 Q25 A70 I74P21-P23 VanDerWaalsContact C-CD 3.41Å; P21-P23 VanDerWaalsContact C-N 3.33Å; P21-V24 HydrophobicContact CB-CG2 4.37Å; P21-V24 WeakPolarHBondContact O-CB 3.42Å; P21-V24 PolarHBondContact O-N 3.42Å; P21-Q25 PolarHBondContact O-N 2.74Å; P21-Q25 VanDerWaalsContact O-N 3.12Å; P21-A70 HydrophobicContact CB-CB 3.89Å; P21-A70 HydrophobicContact CG-CB 4.37Å; P21-I74 HydrophobicContact CG-CG2 4.16Å
22L94.6Very high75.9Confident116 Ų11674 Ų7461%0.60737%0.37SS*.Hα-helixtrans-53.9-36.5178.6-71.2173.2000114.7V24 Q25 T26L22-V24 VanDerWaalsContact C-N 3.31Å; L22-V24 PolarHBondContact O-N 3.06Å; L22-Q25 PolarHBondContact O-N 2.81Å; L22-T26 VanDerWaalsContact O-CB 3.26Å; L22-T26 WeakPolarHBondContact O-CB 3.34Å; L22-T26 PolarHBondContact O-N 2.95Å; L22-T26 PolarHBondContact O-OG1 3.4Å
23P95.9Very high79Confident37 Ų3772.2 Ų72.224%0.2437%0.366CS..Hα-helixtrans-59.4-39.9173.2-25.235000112.8P21 T26 F27 N66 L67 A70P21-P23 VanDerWaalsContact C-CD 3.41Å; P21-P23 VanDerWaalsContact C-N 3.33Å; P23-T26 PolarHBondContact O-N 3.08Å; P23-F27 WeakPolarHBondContact O-CB 3.4Å; P23-F27 PolarHBondContact O-N 3.12Å; P23-N66 VanDerWaalsContact CG-OD1 3.3Å; P23-N66 WeakPolarHBondContact CG-OD1 3.46Å; P23-L67 HydrophobicContact CB-CD1 4.23Å; P23-A70 HydrophobicContact CB-CB 3.87Å; P23-A70 HydrophobicContact CG-CB 3.92Å
24V96.5Very high82.1Confident0 Ų066.5 Ų66.50%034%0.342CS..Hα-helixtrans-68.7-47.2179.2176.40000110.8V20 P21 L22 T26 F27 L28 L67 A70 I71 F79V20-V24 HydrophobicContact CG1-CB 3.75Å; V20-V24 HydrophobicContact CG1-CG1 3.56Å; P21-V24 HydrophobicContact CB-CG2 4.37Å; P21-V24 WeakPolarHBondContact O-CB 3.42Å; P21-V24 PolarHBondContact O-N 3.42Å; L22-V24 VanDerWaalsContact C-N 3.31Å; L22-V24 PolarHBondContact O-N 3.06Å; V24-T26 VanDerWaalsContact C-N 3.31Å; V24-T26 PolarHBondContact O-N 3.18Å; V24-F27 PolarHBondContact O-N 2.92Å; V24-L28 HydrophobicContact CG1-CD1 4.15Å; V24-L28 WeakPolarHBondContact O-CG 3.37Å; V24-L28 PolarHBondContact O-N 3Å; V24-L67 HydrophobicContact CG2-CD1 4.31Å; V24-A70 HydrophobicContact CG2-CB 4.09Å; V24-I71 HydrophobicContact CG2-CG1 3.77Å; V24-F79 HydrophobicContact CG1-CD2 3.76Å; V24-F79 HydrophobicContact CG1-CE2 3.87Å
25Q95.7Very high84.8Confident86 Ų8663.6 Ų63.640%0.40232%0.323SS..Hα-helixtrans-57.5-45.7174.6-60.6-176.832.300111.2V20 P21 L22 F27 L28 W29V20-Q25 HydrophobicContact CB-CG 4.4Å; V20-Q25 HydrophobicContact CG1-CG 4.2Å; V20-Q25 PolarHBondContact O-NE2 3.24Å; P21-Q25 PolarHBondContact O-N 2.74Å; P21-Q25 VanDerWaalsContact O-N 3.12Å; L22-Q25 PolarHBondContact O-N 2.81Å; Q25-F27 PolarHBondContact O-N 3.43Å; Q25-L28 PolarHBondContact O-N 3.41Å; Q25-W29 WeakPolarHBondContact O-CB 3.4Å; Q25-W29 PolarHBondContact O-N 3.17Å
26T96.2Very high87.4Confident63 Ų6363.1 Ų63.139%0.38732%0.32SS..Hα-helixtrans-64.1-39.1179.3-57.80000111.7L22 P23 V24 R30L22-T26 VanDerWaalsContact O-CB 3.26Å; L22-T26 WeakPolarHBondContact O-CB 3.34Å; L22-T26 PolarHBondContact O-N 2.95Å; L22-T26 PolarHBondContact O-OG1 3.4Å; P23-T26 PolarHBondContact O-N 3.08Å; V24-T26 VanDerWaalsContact C-N 3.31Å; V24-T26 PolarHBondContact O-N 3.18Å; T26-R30 WeakPolarHBondContact O-CB 3.42Å; T26-R30 WeakPolarHBondContact O-CG 3.45Å; T26-R30 PolarHBondContact O-N 2.95Å
27F97.5Very high89.7Confident12 Ų1258.3 Ų58.35%0.05331%0.307CS..Hα-helixtrans-63.6-54175.3166.3-101000111.6P23 V24 Q25 W29 R30 Q31 T50 V54 L63 L67 F79P23-F27 WeakPolarHBondContact O-CB 3.4Å; P23-F27 PolarHBondContact O-N 3.12Å; V24-F27 PolarHBondContact O-N 2.92Å; Q25-F27 PolarHBondContact O-N 3.43Å; F27-W29 VanDerWaalsContact C-N 3.33Å; F27-W29 PolarHBondContact O-N 3.35Å; F27-R30 PolarHBondContact O-N 3.16Å; F27-R30 VanDerWaalsContact O-N 3.11Å; F27-Q31 HydrophobicContact CD2-CG 4.25Å; F27-Q31 HydrophobicContact CE1-CG 4.45Å; F27-Q31 HydrophobicContact CE2-CG 3.91Å; F27-Q31 HydrophobicContact CZ-CG 4.01Å; F27-Q31 WeakPolarHBondContact O-CG 3.46Å; F27-Q31 PolarHBondContact O-N 3.13Å; F27-T50 HydrophobicContact CE2-CG2 3.73Å; F27-T50 HydrophobicContact CZ-CG2 3.78Å; F27-V54 HydrophobicContact CE1-CG1 4.13Å; F27-V54 HydrophobicContact CZ-CB 4.18Å; F27-V54 HydrophobicContact CZ-CG1 4.06Å; F27-V54 HydrophobicContact CZ-CG2 4.17Å; F27-L63 HydrophobicContact CE2-CD2 4.19Å; F27-L67 HydrophobicContact CB-CD1 3.72Å; F27-L67 HydrophobicContact CB-CD2 3.83Å; F27-L67 HydrophobicContact CB-CG 4.47Å; F27-L67 HydrophobicContact CD2-CD2 3.47Å; F27-L67 VanDerWaalsContact CD2-CD2 3.47Å; F27-L67 HydrophobicContact CE2-CD2 4.16Å; F27-L67 HydrophobicContact CG-CD1 4.16Å; F27-L67 HydrophobicContact CG-CD2 3.73Å; F27-F79 HydrophobicContact CE1-CZ 4.17Å
28L97.4Very high91.3Very high0 Ų063 Ų630%033%0.329CS..Hα-helixtrans-60.8-42.3-178.6-66173.1000111.5V24 Q25 Q31 T32 F51 T82 A83V24-L28 HydrophobicContact CG1-CD1 4.15Å; V24-L28 WeakPolarHBondContact O-CG 3.37Å; V24-L28 PolarHBondContact O-N 3Å; Q25-L28 PolarHBondContact O-N 3.41Å; L28-Q31 PolarHBondContact O-N 3.28Å; L28-T32 PolarHBondContact O-N 3.46Å; L28-T32 PolarHBondContact O-OG1 2.87Å; L28-F51 HydrophobicContact CD2-CE1 4.06Å; L28-T82 HydrophobicContact CD1-CG2 3.81Å; L28-A83 HydrophobicContact CD1-CB 4.48Å; L28-A83 HydrophobicContact CD2-CB 3.84Å
29W96.1Very high92.6Very high142 Ų14265.8 Ų65.854%0.53835%0.345SS..Hα-helixtrans-58.8-47.9172.3179.9-108.1000112.4Q25 F27 Q31 T32 N33 L36Q25-W29 WeakPolarHBondContact O-CB 3.4Å; Q25-W29 PolarHBondContact O-N 3.17Å; F27-W29 VanDerWaalsContact C-N 3.33Å; F27-W29 PolarHBondContact O-N 3.35Å; W29-Q31 VanDerWaalsContact C-N 3.29Å; W29-Q31 PolarHBondContact O-N 2.94Å; W29-T32 PolarHBondContact O-N 2.84Å; W29-T32 VanDerWaalsContact O-N 3.07Å; W29-N33 WeakPolarHBondContact O-CB 3.13Å; W29-N33 PolarHBondContact O-N 3.15Å; W29-L36 HydrophobicContact CE3-CD1 4.42Å; W29-L36 HydrophobicContact CH2-CD1 3.41Å; W29-L36 VanDerWaalsContact CH2-CD1 3.41Å; W29-L36 HydrophobicContact CZ2-CD1 4.15Å; W29-L36 HydrophobicContact CZ3-CD1 3.58Å
30R95.8Very high93.1Very high178 Ų17862.5 Ų62.567%0.67232%0.32SS*.Hα-helixtrans-59.9-35.1177.9-78.8173.5179.4-164.2-0113.2T26 F27 P34T26-R30 WeakPolarHBondContact O-CB 3.42Å; T26-R30 WeakPolarHBondContact O-CG 3.45Å; T26-R30 PolarHBondContact O-N 2.95Å; F27-R30 PolarHBondContact O-N 3.16Å; F27-R30 VanDerWaalsContact O-N 3.11Å; R30-P34 WeakPolarHBondContact O-CD 3.46Å
31Q96.2Very high92.6Very high32 Ų3263 Ų6315%0.1533%0.329CS..Hα-helixtrans-77.4-23.7175.5-57.4-50.5-24.200113.5F27 L28 W29 F35 S47 T50 F51F27-Q31 HydrophobicContact CD2-CG 4.25Å; F27-Q31 HydrophobicContact CE1-CG 4.45Å; F27-Q31 HydrophobicContact CE2-CG 3.91Å; F27-Q31 HydrophobicContact CZ-CG 4.01Å; F27-Q31 WeakPolarHBondContact O-CG 3.46Å; F27-Q31 PolarHBondContact O-N 3.13Å; L28-Q31 PolarHBondContact O-N 3.28Å; W29-Q31 VanDerWaalsContact C-N 3.29Å; W29-Q31 PolarHBondContact O-N 2.94Å; Q31-F35 WeakPolarHBondContact O-CE2 3.3Å; Q31-S47 WeakPolarHBondContact O-CB 3.5Å; Q31-S47 PolarHBondContact O-OG 2.84Å; Q31-S47 VanDerWaalsContact OE1-CB 3.28Å; Q31-S47 PolarHBondContact OE1-OG 3.23Å; Q31-T50 HydrophobicContact CG-CG2 4.32Å; Q31-F51 HydrophobicContact CB-CD1 4.34Å; Q31-F51 HydrophobicContact CB-CD2 4.22Å; Q31-F51 HydrophobicContact CB-CE1 3.72Å; Q31-F51 HydrophobicContact CB-CE2 3.56Å; Q31-F51 HydrophobicContact CB-CZ 3.3Å; Q31-F51 HydrophobicContact CG-CE1 4.37Å; Q31-F51 HydrophobicContact CG-CZ 4.38Å
32T96.4Very high92.2Very high3 Ų371.4 Ų71.42%0.01836%0.362CS..Hα-helixtrans-84.4-33.4177.5-460000112.2L28 W29 P34 F35 L36 H86 H89L28-T32 PolarHBondContact O-N 3.46Å; L28-T32 PolarHBondContact O-OG1 2.87Å; W29-T32 PolarHBondContact O-N 2.84Å; W29-T32 VanDerWaalsContact O-N 3.07Å; T32-P34 VanDerWaalsContact C-N 3.34Å; T32-P34 VanDerWaalsContact O-N 3.16Å; T32-F35 WeakPolarHBondContact O-CB 3.29Å; T32-F35 WeakPolarHBondContact O-CD2 3.4Å; T32-F35 PolarHBondContact O-N 3.12Å; T32-L36 HydrophobicContact CG2-CD1 4.32Å; T32-L36 HydrophobicContact CG2-CD2 4.14Å; T32-L36 HydrophobicContact CG2-CG 4.22Å; T32-H86 WeakPolarHBondContact OG1-CB 3.14Å; T32-H86 PolarHBondContact OG1-ND1 2.73Å; T32-H89 HydrophobicContact CG2-CB 4.25Å
33N95.1Very high92Very high91 Ų9171.9 Ų71.949%0.48737%0.365SS..G310 helixtrans-51.2-38.3-174.5-166.625.1000115.1W29 F35 L36W29-N33 WeakPolarHBondContact O-CB 3.13Å; W29-N33 PolarHBondContact O-N 3.15Å; N33-F35 PolarHBondContact O-N 3.1Å; N33-F35 VanDerWaalsContact O-N 3.08Å; N33-L36 PolarHBondContact O-N 3.38Å; N33-L36 VanDerWaalsContact O-N 3.16Å
34P95.4Very high92Very high23 Ų2371 Ų7115%0.14936%0.358CS..G310 helixtrans-59.6-18175.3-25.736.6000115.7R30 T32 G41 L43 H44R30-P34 WeakPolarHBondContact O-CD 3.46Å; T32-P34 VanDerWaalsContact C-N 3.34Å; T32-P34 VanDerWaalsContact O-N 3.16Å; P34-G41 PolarHBondContact O-N 2.72Å; P34-L43 HydrophobicContact CB-CB 4.39Å; P34-L43 HydrophobicContact CG-CB 4.22Å; P34-H44 HydrophobicContact CB-CB 4.07Å
35F95.2Very high91.9Very high8 Ų876.9 Ų76.94%0.03539%0.385CS..G310 helixtrans-98.8-11.5-178.8-57.6-93000113.5Q31 T32 N33 I40 H44 C90 A93 L94Q31-F35 WeakPolarHBondContact O-CE2 3.3Å; T32-F35 WeakPolarHBondContact O-CB 3.29Å; T32-F35 WeakPolarHBondContact O-CD2 3.4Å; T32-F35 PolarHBondContact O-N 3.12Å; N33-F35 PolarHBondContact O-N 3.1Å; N33-F35 VanDerWaalsContact O-N 3.08Å; F35-I40 HydrophobicContact CD1-CD1 4.36Å; F35-I40 HydrophobicContact CD1-CG2 4.26Å; F35-H44 HydrophobicContact CD1-CB 4.26Å; F35-H44 HydrophobicContact CE1-CB 3.73Å; F35-H44 HydrophobicContact CE2-CB 4.11Å; F35-H44 HydrophobicContact CZ-CB 3.66Å; F35-C90 HydrophobicContact CD1-CB 4.04Å; F35-C90 HydrophobicContact CD2-CB 4.09Å; F35-C90 WeakPolarHBondContact CD2-SG 3.3Å; F35-C90 HydrophobicContact CE1-CB 4.03Å; F35-C90 HydrophobicContact CE2-CB 4.09Å; F35-C90 VanDerWaalsContact CE2-SG 3.57Å; F35-C90 HydrophobicContact CG-CB 4.06Å; F35-C90 HydrophobicContact CZ-CB 4.05Å; F35-A93 HydrophobicContact CB-CB 3.88Å; F35-A93 HydrophobicContact CD1-CB 4.29Å; F35-L94 HydrophobicContact CD1-CG 4.16Å; F35-L94 HydrophobicContact CE1-CD1 3.8Å; F35-L94 HydrophobicContact CE1-CD2 4.19Å; F35-L94 HydrophobicContact CE1-CG 3.85Å
36L90.5Very high92Very high81 Ų8175.6 Ų75.642%0.42439%0.389SS..SBendtrans-90-1.3-175.1-58.6-180000113.9W29 T32 N33W29-L36 HydrophobicContact CE3-CD1 4.42Å; W29-L36 HydrophobicContact CH2-CD1 3.41Å; W29-L36 VanDerWaalsContact CH2-CD1 3.41Å; W29-L36 HydrophobicContact CZ2-CD1 4.15Å; W29-L36 HydrophobicContact CZ3-CD1 3.58Å; T32-L36 HydrophobicContact CG2-CD1 4.32Å; T32-L36 HydrophobicContact CG2-CD2 4.14Å; T32-L36 HydrophobicContact CG2-CG 4.22Å; N33-L36 PolarHBondContact O-N 3.38Å; N33-L36 VanDerWaalsContact O-N 3.16Å
37G83.5Confident92Very high36 Ų3672.9 Ų72.937%0.37137%0.373SS..SBendtrans-79.5161.7176.400000112.8K39G37-K39 PolarHBondContact O-N 2.84Å; G37-K39 VanDerWaalsContact O-N 3.07Å
38P82.5Confident92Very high145 Ų14572.3 Ų72.394%0.94237%0.37SS*.SBendtrans-68.3-4.3176.330.8-37.3000114
39K85.7Confident92Very high181 Ų18175.4 Ų75.479%0.78739%0.389SS*.SBendtrans-146.3146.3162.6-65.1-160.9173.7-151.90107.3G37G37-K39 PolarHBondContact O-N 2.84Å; G37-K39 VanDerWaalsContact O-N 3.07Å
40I88Confident92Very high27 Ų2770.2 Ų70.214%0.13837%0.373CS..  trans-71134.9-175.7-59.4-173.6000110.1F35 H44 A93 L94 E97F35-I40 HydrophobicContact CD1-CD1 4.36Å; F35-I40 HydrophobicContact CD1-CG2 4.26Å; I40-H44 HydrophobicContact CG2-CB 3.49Å; I40-H44 VanDerWaalsContact CG2-CB 3.49Å; I40-H44 WeakPolarHBondContact CG2-ND1 3.24Å; I40-A93 HydrophobicContact CD1-CB 4.02Å; I40-L94 HydrophobicContact CD1-CD2 3.84Å; I40-L94 HydrophobicContact CD1-CG 4.19Å; I40-E97 HydrophobicContact CD1-CB 3.94Å
41G77.7Confident92.1Very high29 Ų2961.8 Ų61.830%0.29934%0.341SS..  trans-75.5152.4-176.500000113.1P34 L43 H44P34-G41 PolarHBondContact O-N 2.72Å; G41-L43 PolarHBondContact O-N 2.92Å; G41-H44 WeakPolarHBondContact O-CB 3.33Å; G41-H44 PolarHBondContact O-N 3.43Å; G41-H44 PolarHBondContact O-ND1 2.72Å
42K85.1Confident92.2Very high209 Ų20961.1 Ų61.191%0.90934%0.338SS*.THydrogen-bonded Turntrans-57.3-14.4173.8-67.7-172.7176.1-1740114.8
43L90.2Very high92.3Very high127 Ų12765.8 Ų65.867%0.66536%0.355SS*.THydrogen-bonded Turntrans-84.4-12.6179.2-62.6175000113.4P34 G41 E45 A46 S47P34-L43 HydrophobicContact CB-CB 4.39Å; P34-L43 HydrophobicContact CG-CB 4.22Å; G41-L43 PolarHBondContact O-N 2.92Å; L43-E45 VanDerWaalsContact C-N 3.29Å; L43-E45 PolarHBondContact O-N 3.48Å; L43-A46 PolarHBondContact O-N 3.5Å; L43-A46 VanDerWaalsContact O-N 3.16Å; L43-S47 PolarHBondContact O-N 2.86Å
44H95Very high92.4Very high19 Ų1961.5 Ų61.59%0.08833%0.332CS..Hα-helixtrans-60.7-35.7-172.482.9-89.6000112.9P34 F35 I40 G41 A46 S47 C48 S110P34-H44 HydrophobicContact CB-CB 4.07Å; F35-H44 HydrophobicContact CD1-CB 4.26Å; F35-H44 HydrophobicContact CE1-CB 3.73Å; F35-H44 HydrophobicContact CE2-CB 4.11Å; F35-H44 HydrophobicContact CZ-CB 3.66Å; I40-H44 HydrophobicContact CG2-CB 3.49Å; I40-H44 VanDerWaalsContact CG2-CB 3.49Å; I40-H44 WeakPolarHBondContact CG2-ND1 3.24Å; G41-H44 WeakPolarHBondContact O-CB 3.33Å; G41-H44 PolarHBondContact O-N 3.43Å; G41-H44 PolarHBondContact O-ND1 2.72Å; H44-A46 VanDerWaalsContact C-N 3.28Å; H44-A46 PolarHBondContact O-N 3.33Å; H44-S47 CarbonylContact O-C 3.55Å; H44-S47 WeakPolarHBondContact O-CA 3.36Å; H44-S47 WeakPolarHBondContact O-CB 3.35Å; H44-S47 PolarHBondContact O-N 3.19Å; H44-S47 VanDerWaalsContact O-N 3.09Å; H44-C48 PolarHBondContact O-N 3.05Å; H44-C48 PolarHBondContact O-SG 2.84Å; H44-S110 PolarHBondContact CD2-OG 3.41Å; H44-S110 VanDerWaalsContact CD2-OG 3.26Å; H44-S110 VanDerWaalsContact NE2-CB 3.28Å; H44-S110 WeakPolarHBondContact NE2-CB 3.45Å; H44-S110 PolarHBondContact NE2-OG 2.65Å
45E95.8Very high92.5Very high122 Ų12260.4 Ų60.457%0.5733%0.325SS*.Hα-helixtrans-59.7-39178.9-52.8-172169.200112.1L43 C48 V49L43-E45 VanDerWaalsContact C-N 3.29Å; L43-E45 PolarHBondContact O-N 3.48Å; E45-C48 WeakPolarHBondContact O-CB 3.35Å; E45-C48 PolarHBondContact O-N 3.21Å; E45-V49 PolarHBondContact O-N 3.09Å; E45-V49 VanDerWaalsContact O-N 3.15Å
46A96.1Very high92.6Very high59 Ų5960.5 Ų60.549%0.48833%0.326SS..Hα-helixtrans-70.8-35.917700000111.3L43 H44 V49 T50L43-A46 PolarHBondContact O-N 3.5Å; L43-A46 VanDerWaalsContact O-N 3.16Å; H44-A46 VanDerWaalsContact C-N 3.28Å; H44-A46 PolarHBondContact O-N 3.33Å; A46-V49 PolarHBondContact O-N 3.25Å; A46-T50 WeakPolarHBondContact O-CB 3.49Å; A46-T50 PolarHBondContact O-N 2.95Å; A46-T50 PolarHBondContact O-OG1 3.3Å
47S97Very high92.8Very high6 Ų661.3 Ų61.34%0.04233%0.328CS..Hα-helixtrans-66.7-38171.9-64.80000112.1Q31 L43 H44 V49 T50 F51Q31-S47 WeakPolarHBondContact O-CB 3.5Å; Q31-S47 PolarHBondContact O-OG 2.84Å; Q31-S47 VanDerWaalsContact OE1-CB 3.28Å; Q31-S47 PolarHBondContact OE1-OG 3.23Å; L43-S47 PolarHBondContact O-N 2.86Å; H44-S47 CarbonylContact O-C 3.55Å; H44-S47 WeakPolarHBondContact O-CA 3.36Å; H44-S47 WeakPolarHBondContact O-CB 3.35Å; H44-S47 PolarHBondContact O-N 3.19Å; H44-S47 VanDerWaalsContact O-N 3.09Å; S47-V49 PolarHBondContact O-N 3.46Å; S47-T50 PolarHBondContact O-N 2.87Å; S47-F51 VanDerWaalsContact O-CD2 3.24Å; S47-F51 WeakPolarHBondContact O-CD2 3.46Å; S47-F51 PolarHBondContact O-N 3.37Å
48C97.5Very high93.4Very high0 Ų063.1 Ų63.10%033%0.329CS..Hα-helixtrans-58-49.9172.6-63.40000111.9H44 E45 T50 F51 E52 K113 M114H44-C48 PolarHBondContact O-N 3.05Å; H44-C48 PolarHBondContact O-SG 2.84Å; E45-C48 WeakPolarHBondContact O-CB 3.35Å; E45-C48 PolarHBondContact O-N 3.21Å; C48-T50 VanDerWaalsContact C-N 3.29Å; C48-T50 PolarHBondContact O-N 3.08Å; C48-F51 PolarHBondContact O-N 3Å; C48-E52 WeakPolarHBondContact O-CB 3.44Å; C48-E52 PolarHBondContact O-N 3.03Å; C48-K113 HydrophobicContact CB-CB 4.3Å; C48-K113 HydrophobicContact CB-CD 4.36Å; C48-M114 VanDerWaalsContact CA-CE 3.49Å; C48-M114 HydrophobicContact CB-CE 3.8Å; C48-M114 HydrophobicContact CB-CG 4.23Å; C48-M114 HydrophobicContact CB-SD 4.1Å; C48-M114 VanDerWaalsContact O-CE 3.26Å; C48-M114 WeakPolarHBondContact O-CE 3.48Å; C48-M114 WeakPolarHBondContact SG-CG 3.44Å
49V97Very high94.1Very high65 Ų6559.4 Ų59.439%0.39430%0.301SS..Hα-helixtrans-64.4-34.9177.2173.70000111.5E45 A46 S47 R53 K113E45-V49 PolarHBondContact O-N 3.09Å; E45-V49 VanDerWaalsContact O-N 3.15Å; A46-V49 PolarHBondContact O-N 3.25Å; S47-V49 PolarHBondContact O-N 3.46Å; V49-R53 WeakPolarHBondContact O-CB 3.37Å; V49-R53 PolarHBondContact O-N 2.84Å; V49-K113 HydrophobicContact CG2-CD 4.17Å
50T97Very high94.6Very high34 Ų3451.5 Ų51.521%0.20927%0.267CS..Hα-helixtrans-70.4-40.8178.4-580000112.1F27 Q31 A46 S47 C48 V54F27-T50 HydrophobicContact CE2-CG2 3.73Å; F27-T50 HydrophobicContact CZ-CG2 3.78Å; Q31-T50 HydrophobicContact CG-CG2 4.32Å; A46-T50 WeakPolarHBondContact O-CB 3.49Å; A46-T50 PolarHBondContact O-N 2.95Å; A46-T50 PolarHBondContact O-OG1 3.3Å; S47-T50 PolarHBondContact O-N 2.87Å; C48-T50 VanDerWaalsContact C-N 3.29Å; C48-T50 PolarHBondContact O-N 3.08Å; T50-V54 HydrophobicContact CG2-CG2 4.34Å; T50-V54 WeakPolarHBondContact O-CB 3.19Å; T50-V54 VanDerWaalsContact O-CG2 3.29Å; T50-V54 WeakPolarHBondContact O-CG2 3.32Å; T50-V54 PolarHBondContact O-N 2.74Å
51F97.9Very high94.8Very high0 Ų057.6 Ų57.60%030%0.295CS..Hα-helixtrans-63.4-48.1173.1-79.1-54.8000111.4L28 Q31 S47 C48 R53 V54 V55 H86 I87 M114L28-F51 HydrophobicContact CD2-CE1 4.06Å; Q31-F51 HydrophobicContact CB-CD1 4.34Å; Q31-F51 HydrophobicContact CB-CD2 4.22Å; Q31-F51 HydrophobicContact CB-CE1 3.72Å; Q31-F51 HydrophobicContact CB-CE2 3.56Å; Q31-F51 HydrophobicContact CB-CZ 3.3Å; Q31-F51 HydrophobicContact CG-CE1 4.37Å; Q31-F51 HydrophobicContact CG-CZ 4.38Å; S47-F51 VanDerWaalsContact O-CD2 3.24Å; S47-F51 WeakPolarHBondContact O-CD2 3.46Å; S47-F51 PolarHBondContact O-N 3.37Å; C48-F51 PolarHBondContact O-N 3Å; F51-R53 VanDerWaalsContact C-N 3.33Å; F51-R53 PolarHBondContact O-N 3.31Å; F51-V54 PolarHBondContact O-N 2.74Å; F51-V55 HydrophobicContact CD1-CG2 3.93Å; F51-V55 WeakPolarHBondContact O-CA 3.27Å; F51-V55 WeakPolarHBondContact O-CB 3.36Å; F51-V55 WeakPolarHBondContact O-CG2 3.38Å; F51-V55 PolarHBondContact O-N 3.23Å; F51-H86 HydrophobicContact CE1-CB 4.42Å; F51-H86 HydrophobicContact CZ-CB 4.22Å; F51-I87 HydrophobicContact CB-CD1 3.74Å; F51-I87 HydrophobicContact CD1-CD1 3.46Å; F51-I87 VanDerWaalsContact CD1-CD1 3.46Å; F51-I87 HydrophobicContact CD2-CD1 3.74Å; F51-I87 HydrophobicContact CE1-CD1 3.83Å; F51-I87 HydrophobicContact CE2-CD1 4.09Å; F51-I87 HydrophobicContact CG-CD1 3.4Å; F51-I87 VanDerWaalsContact CG-CD1 3.4Å; F51-I87 HydrophobicContact CZ-CD1 4.11Å; F51-M114 HydrophobicContact CB-CE 3.97Å; F51-M114 HydrophobicContact CB-SD 4.36Å; F51-M114 HydrophobicContact CD2-SD 3.95Å
52E97.7Very high95.4Very high18 Ų1860.2 Ų60.28%0.08432%0.321CS..Iπ-helixtrans-55-47.3176.1-175.9-180-178.800111.8C48 V56 Q57 K113 Y116 V117 R182C48-E52 WeakPolarHBondContact O-CB 3.44Å; C48-E52 PolarHBondContact O-N 3.03Å; E52-V56 WeakPolarHBondContact O-CB 3.4Å; E52-V56 PolarHBondContact O-N 3.42Å; E52-Q57 PolarHBondContact O-N 3.07Å; E52-Q57 VanDerWaalsContact O-N 3.11Å; E52-K113 WeakPolarHBondContact OE2-CG 3.29Å; E52-Y116 HydrophobicContact CG-CD1 4.48Å; E52-Y116 HydrophobicContact CG-CE1 4.42Å; E52-V117 HydrophobicContact CB-CG2 3.96Å; E52-V117 HydrophobicContact CG-CG2 4.43Å; E52-R182 IonicContact OE1-CZ 3.84Å; E52-R182 VanDerWaalsContact OE1-CZ 3.24Å; E52-R182 IonicContact OE1-NH1 3.72Å; E52-R182 PolarHBondContact OE1-NH1 3.02Å; E52-R182 IonicContact OE1-NH2 2.74Å; E52-R182 PolarHBondContact OE1-NH2 3.43Å
53R97.4Very high95.8Very high102 Ų10252 Ų5239%0.38529%0.287SS..Iπ-helixtrans-65.8-37.5-179.5179.3-179.4174.5143.5-2.3114.6V49 F51 Q57 N58 I59 H61V49-R53 WeakPolarHBondContact O-CB 3.37Å; V49-R53 PolarHBondContact O-N 2.84Å; F51-R53 VanDerWaalsContact C-N 3.33Å; F51-R53 PolarHBondContact O-N 3.31Å; R53-Q57 CarbonylContact O-C 3.57Å; R53-Q57 WeakPolarHBondContact O-CB 3.32Å; R53-N58 PolarHBondContact O-N 3.32Å; R53-I59 HydrophobicContact CG-CB 3.79Å; R53-I59 HydrophobicContact CG-CG2 4.32Å; R53-I59 PolarHBondContact O-N 3Å; R53-H61 PolarHBondContact NH2-O 3.1Å
54V97.7Very high96Very high0 Ų049.4 Ų49.40%028%0.279CS..Iπ-helixtrans-102.1-39-170.3-178.10000112F27 T50 F51 L60 L63 I71 R76 F79F27-V54 HydrophobicContact CE1-CG1 4.13Å; F27-V54 HydrophobicContact CZ-CB 4.18Å; F27-V54 HydrophobicContact CZ-CG1 4.06Å; F27-V54 HydrophobicContact CZ-CG2 4.17Å; T50-V54 HydrophobicContact CG2-CG2 4.34Å; T50-V54 WeakPolarHBondContact O-CB 3.19Å; T50-V54 VanDerWaalsContact O-CG2 3.29Å; T50-V54 WeakPolarHBondContact O-CG2 3.32Å; T50-V54 PolarHBondContact O-N 2.74Å; F51-V54 PolarHBondContact O-N 2.74Å; V54-L60 HydrophobicContact CG1-CD2 3.87Å; V54-L63 HydrophobicContact CG1-CD1 4.13Å; V54-L63 HydrophobicContact CG2-CD1 4.02Å; V54-L63 HydrophobicContact CG2-CD2 4.32Å; V54-I71 HydrophobicContact CG1-CD1 4.14Å; V54-R76 PolarHBondContact O-NH1 3.3Å; V54-R76 VanDerWaalsContact O-NH1 3.1Å; V54-F79 HydrophobicContact CG1-CE1 3.96Å; V54-F79 HydrophobicContact CG1-CZ 3.65Å
55V97.7Very high96Very high0 Ų052.9 Ų52.90%030%0.304CS..Iπ-helixtrans-80.7-48-179.6-174.30000111.1F51 R76 F79 A83 V117 W120 L121F51-V55 HydrophobicContact CD1-CG2 3.93Å; F51-V55 WeakPolarHBondContact O-CA 3.27Å; F51-V55 WeakPolarHBondContact O-CB 3.36Å; F51-V55 WeakPolarHBondContact O-CG2 3.38Å; F51-V55 PolarHBondContact O-N 3.23Å; V55-R76 PolarHBondContact O-NH2 3.24Å; V55-F79 HydrophobicContact CG2-CE1 4.09Å; V55-F79 HydrophobicContact CG2-CZ 4.42Å; V55-A83 HydrophobicContact CG1-CB 4Å; V55-A83 HydrophobicContact CG2-CB 3.86Å; V55-V117 HydrophobicContact CB-CG1 4.44Å; V55-V117 HydrophobicContact CG1-CG1 4.38Å; V55-W120 HydrophobicContact CG1-CZ3 4.17Å; V55-W120 VanDerWaalsContact O-CH2 3.26Å; V55-W120 WeakPolarHBondContact O-CH2 3.36Å; V55-W120 VanDerWaalsContact O-CZ3 3.23Å; V55-W120 WeakPolarHBondContact O-CZ3 3.41Å; V55-L121 HydrophobicContact CG1-CD2 4.21Å; V55-L121 HydrophobicContact CG1-CG 4.47Å
56V96.9Very high95.9Very high10 Ų1052 Ų526%0.06130%0.303CS..Iπ-helixtrans-82.5-70.9175.4-176.80000109.7E52 N58 R76 Y116 V117 W120E52-V56 WeakPolarHBondContact O-CB 3.4Å; E52-V56 PolarHBondContact O-N 3.42Å; V56-N58 PolarHBondContact O-N 2.99Å; V56-R76 PolarHBondContact O-NH2 3.05Å; V56-Y116 HydrophobicContact CG1-CE1 4.19Å; V56-Y116 HydrophobicContact CG2-CE1 4.2Å; V56-V117 HydrophobicContact CG2-CB 4.25Å; V56-V117 HydrophobicContact CG2-CG1 4.1Å; V56-V117 HydrophobicContact CG2-CG2 3.84Å; V56-W120 HydrophobicContact CB-CD2 4.12Å; V56-W120 HydrophobicContact CB-CE3 4.26Å; V56-W120 HydrophobicContact CB-CG 4.46Å; V56-W120 HydrophobicContact CG1-CD2 3.83Å; V56-W120 HydrophobicContact CG1-CE3 4.46Å; V56-W120 HydrophobicContact CG1-CG 3.84Å; V56-W120 HydrophobicContact CG2-CB 4.17Å; V56-W120 HydrophobicContact CG2-CD2 3.79Å; V56-W120 HydrophobicContact CG2-CE3 3.71Å; V56-W120 HydrophobicContact CG2-CG 3.98Å; V56-W120 HydrophobicContact CG2-CZ3 4.43Å
57Q96.2Very high96Very high99 Ų9949.9 Ų49.946%0.46328%0.283SS..SBendtrans-72.1-4.5-166.2-56.9169.1-6.600115.3E52 R53 I59E52-Q57 PolarHBondContact O-N 3.07Å; E52-Q57 VanDerWaalsContact O-N 3.11Å; R53-Q57 CarbonylContact O-C 3.57Å; R53-Q57 WeakPolarHBondContact O-CB 3.32Å; Q57-I59 HydrophobicContact CB-CD1 3.94Å; Q57-I59 HydrophobicContact CB-CG1 3.85Å; Q57-I59 WeakPolarHBondContact O-CG1 3.45Å; Q57-I59 PolarHBondContact O-N 2.91Å; Q57-I59 VanDerWaalsContact O-N 3.08Å
58N96Very high95.9Very high74 Ų7450.5 Ų50.540%0.39629%0.288SS..  trans55.122.6-179-154.716.6000115.3R53 V56 L60 R76R53-N58 PolarHBondContact O-N 3.32Å; V56-N58 PolarHBondContact O-N 2.99Å; N58-L60 PolarHBondContact O-N 2.79Å; N58-R76 VanDerWaalsContact CG-CZ 3.49Å; N58-R76 PolarHBondContact OD1-NH1 3.45Å; N58-R76 VanDerWaalsContact OD1-NH1 3.1Å
59I96.4Very high95.9Very high66 Ų6656.7 Ų56.734%0.33832%0.317SS..  trans-83.484.6-175.1-54.7177.3000110.3R53 Q57 H61R53-I59 HydrophobicContact CG-CB 3.79Å; R53-I59 HydrophobicContact CG-CG2 4.32Å; R53-I59 PolarHBondContact O-N 3Å; Q57-I59 HydrophobicContact CB-CD1 3.94Å; Q57-I59 HydrophobicContact CB-CG1 3.85Å; Q57-I59 WeakPolarHBondContact O-CG1 3.45Å; Q57-I59 PolarHBondContact O-N 2.91Å; Q57-I59 VanDerWaalsContact O-N 3.08Å; I59-H61 HydrophobicContact CG2-CB 4.23Å; I59-H61 PolarHBondContact O-N 3.38Å
60L95.6Very high95.8Very high16 Ų1654 Ų548%0.08430%0.301CS..  trans-74.2-11.2178.5-48.4-173.2000113.9V54 N58 G62 L63 S68 I71 K72V54-L60 HydrophobicContact CG1-CD2 3.87Å; N58-L60 PolarHBondContact O-N 2.79Å; L60-G62 PolarHBondContact O-N 2.87Å; L60-L63 HydrophobicContact CB-CD1 4.35Å; L60-L63 HydrophobicContact CD2-CD1 4.15Å; L60-L63 WeakPolarHBondContact O-CB 3.46Å; L60-L63 WeakPolarHBondContact O-CG 3.47Å; L60-L63 PolarHBondContact O-N 3.47Å; L60-S68 PolarHBondContact O-OG 2.74Å; L60-I71 HydrophobicContact CD1-CB 4.08Å; L60-I71 HydrophobicContact CD1-CG2 3.8Å; L60-I71 HydrophobicContact CD2-CB 4.47Å; L60-I71 HydrophobicContact CD2-CD1 3.91Å; L60-I71 HydrophobicContact CD2-CG2 3.93Å; L60-K72 HydrophobicContact CD1-CG 3.96Å
61H92.6Very high95.8Very high155 Ų15552.8 Ų52.872%0.71829%0.294SS*.THydrogen-bonded Turntrans-58.5135.2175.4-64.7106.4000111.1R53 I59 L63R53-H61 PolarHBondContact NH2-O 3.1Å; I59-H61 HydrophobicContact CG2-CB 4.23Å; I59-H61 PolarHBondContact O-N 3.38Å; H61-L63 VanDerWaalsContact C-N 3.31Å
62G90.5Very high95.6Very high83 Ų8360.6 Ų60.686%0.85633%0.327SS*.THydrogen-bonded Turntrans84.9-5.3-17800000115.1L60L60-G62 PolarHBondContact O-N 2.87Å
63L93.7Very high95.3Very high38 Ų3863.6 Ų63.620%0.19935%0.351CS..SBendtrans-77.9162.7162.2-57.4179.4000110.3F27 V54 L60 H61 L67 I71F27-L63 HydrophobicContact CE2-CD2 4.19Å; V54-L63 HydrophobicContact CG1-CD1 4.13Å; V54-L63 HydrophobicContact CG2-CD1 4.02Å; V54-L63 HydrophobicContact CG2-CD2 4.32Å; L60-L63 HydrophobicContact CB-CD1 4.35Å; L60-L63 HydrophobicContact CD2-CD1 4.15Å; L60-L63 WeakPolarHBondContact O-CB 3.46Å; L60-L63 WeakPolarHBondContact O-CG 3.47Å; L60-L63 PolarHBondContact O-N 3.47Å; H61-L63 VanDerWaalsContact C-N 3.31Å; L63-L67 HydrophobicContact CB-CD2 4.18Å; L63-L67 HydrophobicContact CD1-CD2 4.03Å; L63-L67 HydrophobicContact CD1-CG 4.29Å; L63-L67 HydrophobicContact CD2-CD2 4.18Å; L63-L67 HydrophobicContact CG-CD2 4.36Å; L63-I71 HydrophobicContact CD1-CD1 3.99Å
64S94.9Very high95.1Very high71 Ų7159.9 Ų59.950%0.49734%0.338SS..  trans-65.5146.1174.760.80000111.2N66 L67 S68S64-N66 VanDerWaalsContact C-N 3.35Å; S64-N66 PolarHBondContact O-N 3.24Å; S64-L67 PolarHBondContact O-N 3.15Å; S64-L67 WeakPolarHBondContact OG-CB 3.22Å; S64-S68 PolarHBondContact O-N 3.28Å; S64-S68 PolarHBondContact O-OG 3.44Å
65P94.1Very high94.8Very high93 Ų9363.1 Ų63.160%0.60436%0.359SS*.Hα-helixtrans-53.4-47.7-175.9-29.435.9000113.6L67 S68 E69P65-L67 VanDerWaalsContact C-N 3.31Å; P65-L67 PolarHBondContact O-N 3.04Å; P65-S68 PolarHBondContact O-N 3.27Å; P65-S68 VanDerWaalsContact O-N 3.08Å; P65-E69 WeakPolarHBondContact O-CB 3.2Å; P65-E69 WeakPolarHBondContact O-CG 3.31Å; P65-E69 PolarHBondContact O-N 2.94Å
66N95.2Very high94.6Very high102 Ų10264.7 Ų64.755%0.54537%0.365SS..Hα-helixtrans-54.5-41.8175.7-178.6-2000112.7P23 S64 A70P23-N66 VanDerWaalsContact CG-OD1 3.3Å; P23-N66 WeakPolarHBondContact CG-OD1 3.46Å; S64-N66 VanDerWaalsContact C-N 3.35Å; S64-N66 PolarHBondContact O-N 3.24Å; N66-A70 WeakPolarHBondContact O-CB 3.28Å; N66-A70 PolarHBondContact O-N 3.12Å
67L96.3Very high94.4Very high15 Ų1565.4 Ų65.48%0.07937%0.366CS..Hα-helixtrans-69.8-43.4175.8177.459.9000111.6P23 V24 F27 L63 S64 P65 E69 A70 I71P23-L67 HydrophobicContact CB-CD1 4.23Å; V24-L67 HydrophobicContact CG2-CD1 4.31Å; F27-L67 HydrophobicContact CB-CD1 3.72Å; F27-L67 HydrophobicContact CB-CD2 3.83Å; F27-L67 HydrophobicContact CB-CG 4.47Å; F27-L67 HydrophobicContact CD2-CD2 3.47Å; F27-L67 VanDerWaalsContact CD2-CD2 3.47Å; F27-L67 HydrophobicContact CE2-CD2 4.16Å; F27-L67 HydrophobicContact CG-CD1 4.16Å; F27-L67 HydrophobicContact CG-CD2 3.73Å; L63-L67 HydrophobicContact CB-CD2 4.18Å; L63-L67 HydrophobicContact CD1-CD2 4.03Å; L63-L67 HydrophobicContact CD1-CG 4.29Å; L63-L67 HydrophobicContact CD2-CD2 4.18Å; L63-L67 HydrophobicContact CG-CD2 4.36Å; S64-L67 PolarHBondContact O-N 3.15Å; S64-L67 WeakPolarHBondContact OG-CB 3.22Å; P65-L67 VanDerWaalsContact C-N 3.31Å; P65-L67 PolarHBondContact O-N 3.04Å; L67-E69 VanDerWaalsContact C-N 3.33Å; L67-E69 PolarHBondContact O-N 2.93Å; L67-A70 PolarHBondContact O-N 2.89Å; L67-I71 HydrophobicContact CD1-CD1 3.89Å; L67-I71 HydrophobicContact CD1-CG1 4.06Å; L67-I71 HydrophobicContact CG-CD1 3.95Å; L67-I71 HydrophobicContact CG-CG1 4.49Å; L67-I71 VanDerWaalsContact O-CG1 3.32Å; L67-I71 WeakPolarHBondContact O-CG1 3.2Å; L67-I71 PolarHBondContact O-N 3.2Å
68S96.7Very high94.3Very high19 Ų1963.8 Ų63.813%0.13336%0.356CS..Hα-helixtrans-63.1-37.4178.1-66.40000112.8L60 S64 P65 K72L60-S68 PolarHBondContact O-OG 2.74Å; S64-S68 PolarHBondContact O-N 3.28Å; S64-S68 PolarHBondContact O-OG 3.44Å; P65-S68 PolarHBondContact O-N 3.27Å; P65-S68 VanDerWaalsContact O-N 3.08Å; S68-K72 WeakPolarHBondContact O-CB 3.43Å; S68-K72 VanDerWaalsContact O-CG 3.24Å; S68-K72 WeakPolarHBondContact O-CG 3.47Å; S68-K72 PolarHBondContact O-N 2.95Å
69E95.8Very high94.2Very high131 Ų13160.3 Ų60.361%0.61234%0.338SS*.Hα-helixtrans-69.1-44.8173.4-72.5164.2-175.400111P65 L67 I71 K72 S73P65-E69 WeakPolarHBondContact O-CB 3.2Å; P65-E69 WeakPolarHBondContact O-CG 3.31Å; P65-E69 PolarHBondContact O-N 2.94Å; L67-E69 VanDerWaalsContact C-N 3.33Å; L67-E69 PolarHBondContact O-N 2.93Å; E69-I71 VanDerWaalsContact C-N 3.33Å; E69-I71 PolarHBondContact O-N 3.44Å; E69-K72 CarbonylContact O-C 3.56Å; E69-K72 PolarHBondContact O-N 3.03Å; E69-K72 VanDerWaalsContact O-N 3.12Å; E69-S73 WeakPolarHBondContact O-CB 3.44Å; E69-S73 PolarHBondContact O-N 2.99Å
70A96Very high94.2Very high8 Ų857.2 Ų57.27%0.06632%0.321CS..Hα-helixtrans-67.5-25.8178.400000114.6P21 P23 V24 N66 L67 S73P21-A70 HydrophobicContact CB-CB 3.89Å; P21-A70 HydrophobicContact CG-CB 4.37Å; P23-A70 HydrophobicContact CB-CB 3.87Å; P23-A70 HydrophobicContact CG-CB 3.92Å; V24-A70 HydrophobicContact CG2-CB 4.09Å; N66-A70 WeakPolarHBondContact O-CB 3.28Å; N66-A70 PolarHBondContact O-N 3.12Å; L67-A70 PolarHBondContact O-N 2.89Å; A70-S73 PolarHBondContact O-OG 2.84Å
71I95.8Very high94.1Very high9 Ų957 Ų575%0.04632%0.321CS..Hα-helixtrans-75.6-39.9169.6-66.8169.3000110.2V24 V54 L60 L63 L67 E69 S73 I74 F79V24-I71 HydrophobicContact CG2-CG1 3.77Å; V54-I71 HydrophobicContact CG1-CD1 4.14Å; L60-I71 HydrophobicContact CD1-CB 4.08Å; L60-I71 HydrophobicContact CD1-CG2 3.8Å; L60-I71 HydrophobicContact CD2-CB 4.47Å; L60-I71 HydrophobicContact CD2-CD1 3.91Å; L60-I71 HydrophobicContact CD2-CG2 3.93Å; L63-I71 HydrophobicContact CD1-CD1 3.99Å; L67-I71 HydrophobicContact CD1-CD1 3.89Å; L67-I71 HydrophobicContact CD1-CG1 4.06Å; L67-I71 HydrophobicContact CG-CD1 3.95Å; L67-I71 HydrophobicContact CG-CG1 4.49Å; L67-I71 VanDerWaalsContact O-CG1 3.32Å; L67-I71 WeakPolarHBondContact O-CG1 3.2Å; L67-I71 PolarHBondContact O-N 3.2Å; E69-I71 VanDerWaalsContact C-N 3.33Å; E69-I71 PolarHBondContact O-N 3.44Å; I71-S73 VanDerWaalsContact C-N 3.3Å; I71-S73 PolarHBondContact O-N 3.02Å; I71-I74 WeakPolarHBondContact O-CG1 3.47Å; I71-F79 HydrophobicContact CD1-CD2 4.46Å; I71-F79 HydrophobicContact CD1-CE2 3.85Å; I71-F79 HydrophobicContact CD1-CZ 4.19Å; I71-F79 HydrophobicContact CG1-CD2 3.98Å; I71-F79 HydrophobicContact CG1-CE2 3.82Å; I71-F79 HydrophobicContact CG2-CD2 4.01Å; I71-F79 HydrophobicContact CG2-CE2 4.37Å; I71-F79 HydrophobicContact CG2-CG 4.11Å
72K94Very high94.2Very high163 Ų16351.1 Ų51.171%0.70930%0.297SS*.Hα-helixtrans-72.3-18.3177.5-72.6174.8-179.9-172.70114.2L60 S68 E69 I74L60-K72 HydrophobicContact CD1-CG 3.96Å; S68-K72 WeakPolarHBondContact O-CB 3.43Å; S68-K72 VanDerWaalsContact O-CG 3.24Å; S68-K72 WeakPolarHBondContact O-CG 3.47Å; S68-K72 PolarHBondContact O-N 2.95Å; E69-K72 CarbonylContact O-C 3.56Å; E69-K72 PolarHBondContact O-N 3.03Å; E69-K72 VanDerWaalsContact O-N 3.12Å; K72-I74 VanDerWaalsContact C-N 3.25Å; K72-I74 PolarHBondContact O-N 2.83Å
73S93.1Very high94.5Very high82 Ų8247.2 Ų47.257%0.57326%0.256SS*.THydrogen-bonded Turntrans-83.88.1179.673.40000114.2E69 A70 I71E69-S73 WeakPolarHBondContact O-CB 3.44Å; E69-S73 PolarHBondContact O-N 2.99Å; A70-S73 PolarHBondContact O-OG 2.84Å; I71-S73 VanDerWaalsContact C-N 3.3Å; I71-S73 PolarHBondContact O-N 3.02Å
74I92.2Very high94.6Very high24 Ų2445.4 Ų45.412%0.12325%0.246CC..SBendtrans-133.9153.6175.556.8173.4000110.1V20 P21 I71 K72 R78 F79V20-I74 HydrophobicContact CG1-CD1 4.44Å; P21-I74 HydrophobicContact CG-CG2 4.16Å; I71-I74 WeakPolarHBondContact O-CG1 3.47Å; K72-I74 VanDerWaalsContact C-N 3.25Å; K72-I74 PolarHBondContact O-N 2.83Å; I74-R78 HydrophobicContact CB-CB 4.43Å; I74-R78 HydrophobicContact CD1-CB 4.4Å; I74-R78 HydrophobicContact CD1-CG 4.22Å; I74-F79 HydrophobicContact CD1-CB 4.04Å
75P91.2Very high94.7Very high67 Ų6743.5 Ų43.544%0.43523%0.232SC..  trans-52.4145.5172.2-27.836000111.7W77 R78 F79 E133P75-W77 VanDerWaalsContact C-N 3.28Å; P75-W77 PolarHBondContact O-N 3.03Å; P75-R78 HydrophobicContact CB-CB 4.37Å; P75-R78 WeakPolarHBondContact O-CA 3.38Å; P75-R78 WeakPolarHBondContact O-CB 3.26Å; P75-R78 PolarHBondContact O-N 3.42Å; P75-F79 PolarHBondContact O-N 3.01Å; P75-E133 WeakPolarHBondContact CB-OE1 3.46Å
76R94Very high94.8Very high33 Ų3340.8 Ų40.813%0.12521%0.212CC..Hα-helixtrans-62.7-40.9-175.3174.856.8178.5159.210.9110.1V54 V55 V56 N58 R78 F79 V80 E133V54-R76 PolarHBondContact O-NH1 3.3Å; V54-R76 VanDerWaalsContact O-NH1 3.1Å; V55-R76 PolarHBondContact O-NH2 3.24Å; V56-R76 PolarHBondContact O-NH2 3.05Å; N58-R76 VanDerWaalsContact CG-CZ 3.49Å; N58-R76 PolarHBondContact OD1-NH1 3.45Å; N58-R76 VanDerWaalsContact OD1-NH1 3.1Å; R76-R78 PolarHBondContact O-N 3.39Å; R76-F79 PolarHBondContact O-N 3.02Å; R76-V80 WeakPolarHBondContact O-CG2 3.32Å; R76-V80 PolarHBondContact O-N 3.04Å; R76-E133 PolarHBondContact N-OE1 3.22Å
77W93.2Very high95Very high25 Ų2536 Ų3610%0.09519%0.186CC..Hα-helixtrans-57.4-34.8172178.7-125.5000113.4P75 V80 S81 A126 C129 Q150 Y151 L153P75-W77 VanDerWaalsContact C-N 3.28Å; P75-W77 PolarHBondContact O-N 3.03Å; W77-V80 HydrophobicContact CE3-CB 4.24Å; W77-V80 HydrophobicContact CE3-CG1 3.97Å; W77-V80 HydrophobicContact CZ3-CG1 3.77Å; W77-V80 PolarHBondContact O-N 3.3Å; W77-S81 WeakPolarHBondContact O-CB 3.4Å; W77-S81 PolarHBondContact O-N 3.5Å; W77-S81 PolarHBondContact O-OG 3.21Å; W77-A126 HydrophobicContact CZ3-CB 4.37Å; W77-C129 HydrophobicContact CB-CB 3.92Å; W77-C129 HydrophobicContact CE3-CB 4.21Å; W77-Q150 PolarHBondContact NE1-O 3.4Å; W77-Y151 HydrophobicContact CB-CD1 3.63Å; W77-Y151 HydrophobicContact CB-CE1 3.57Å; W77-Y151 AromaticContact CD1-CD1 3.98Å; W77-Y151 AromaticContact CD2-CD1 3.77Å; W77-Y151 HydrophobicContact CD2-CD1 3.77Å; W77-Y151 HydrophobicContact CD2-CG 4.43Å; W77-Y151 HydrophobicContact CE3-CD1 4.1Å; W77-Y151 AromaticContact CG-CD1 3.51Å; W77-Y151 HydrophobicContact CG-CD1 3.51Å; W77-Y151 AromaticContact CG-CE1 3.97Å; W77-Y151 HydrophobicContact CG-CE1 3.97Å; W77-Y151 HydrophobicContact CG-CG 4.3Å; W77-Y151 VanDerWaalsContact CH2-O 3.27Å; W77-Y151 WeakPolarHBondContact CH2-O 3.49Å; W77-Y151 VanDerWaalsContact CZ2-C 3.44Å; W77-Y151 WeakPolarHBondContact CZ2-O 3.29Å; W77-L153 HydrophobicContact CH2-CD2 3.66Å; W77-L153 HydrophobicContact CH2-CG 3.94Å; W77-L153 HydrophobicContact CZ2-CD2 3.98Å; W77-L153 HydrophobicContact CZ2-CG 4.26Å
78R92.3Very high95Very high66 Ų6635.2 Ų35.225%0.24918%0.182CC..Hα-helixtrans-67.6-41.5179-1765857.965.410.8112G17 V20 I74 P75 R76 V80 S81 T82G17-R78 PolarHBondContact O-NH1 3.26Å; G17-R78 PolarHBondContact O-NH2 2.79Å; V20-R78 HydrophobicContact CG2-CG 4.18Å; I74-R78 HydrophobicContact CB-CB 4.43Å; I74-R78 HydrophobicContact CD1-CB 4.4Å; I74-R78 HydrophobicContact CD1-CG 4.22Å; P75-R78 HydrophobicContact CB-CB 4.37Å; P75-R78 WeakPolarHBondContact O-CA 3.38Å; P75-R78 WeakPolarHBondContact O-CB 3.26Å; P75-R78 PolarHBondContact O-N 3.42Å; R76-R78 PolarHBondContact O-N 3.39Å; R78-V80 VanDerWaalsContact C-N 3.34Å; R78-S81 WeakPolarHBondContact CA-OG 3.49Å; R78-S81 PolarHBondContact O-OG 2.97Å; R78-T82 VanDerWaalsContact O-CB 3.31Å; R78-T82 WeakPolarHBondContact O-CB 3.32Å; R78-T82 PolarHBondContact O-N 3.39Å; R78-T82 PolarHBondContact O-OG1 3.39Å
79F95.3Very high95Very high1 Ų137.4 Ų37.40%0.00419%0.19CC..Hα-helixtrans-61.2-46.7175.9177.2-100.4000110.8V24 F27 V54 V55 I71 I74 P75 R76 T82 A83V24-F79 HydrophobicContact CG1-CD2 3.76Å; V24-F79 HydrophobicContact CG1-CE2 3.87Å; F27-F79 HydrophobicContact CE1-CZ 4.17Å; V54-F79 HydrophobicContact CG1-CE1 3.96Å; V54-F79 HydrophobicContact CG1-CZ 3.65Å; V55-F79 HydrophobicContact CG2-CE1 4.09Å; V55-F79 HydrophobicContact CG2-CZ 4.42Å; I71-F79 HydrophobicContact CD1-CD2 4.46Å; I71-F79 HydrophobicContact CD1-CE2 3.85Å; I71-F79 HydrophobicContact CD1-CZ 4.19Å; I71-F79 HydrophobicContact CG1-CD2 3.98Å; I71-F79 HydrophobicContact CG1-CE2 3.82Å; I71-F79 HydrophobicContact CG2-CD2 4.01Å; I71-F79 HydrophobicContact CG2-CE2 4.37Å; I71-F79 HydrophobicContact CG2-CG 4.11Å; I74-F79 HydrophobicContact CD1-CB 4.04Å; P75-F79 PolarHBondContact O-N 3.01Å; R76-F79 PolarHBondContact O-N 3.02Å; F79-T82 PolarHBondContact O-N 2.86Å; F79-A83 WeakPolarHBondContact O-CB 3.26Å; F79-A83 PolarHBondContact O-N 2.89Å
80V95.5Very high95.1Very high0 Ų031.1 Ų31.10%016%0.161CC..Hα-helixtrans-61-54.6-179.9170.60000112R76 W77 R78 T82 A83 F84 W120 L121R76-V80 WeakPolarHBondContact O-CG2 3.32Å; R76-V80 PolarHBondContact O-N 3.04Å; W77-V80 HydrophobicContact CE3-CB 4.24Å; W77-V80 HydrophobicContact CE3-CG1 3.97Å; W77-V80 HydrophobicContact CZ3-CG1 3.77Å; W77-V80 PolarHBondContact O-N 3.3Å; R78-V80 VanDerWaalsContact C-N 3.34Å; V80-T82 PolarHBondContact O-N 3.11Å; V80-A83 WeakPolarHBondContact O-CB 3.45Å; V80-A83 PolarHBondContact O-N 3.47Å; V80-F84 PolarHBondContact O-N 3.24Å; V80-F84 VanDerWaalsContact O-N 3.08Å; V80-W120 HydrophobicContact CG1-CH2 4.35Å; V80-W120 HydrophobicContact CG1-CZ3 4.05Å; V80-W120 HydrophobicContact CG2-CH2 4.01Å; V80-W120 HydrophobicContact CG2-CZ3 4.22Å; V80-L121 HydrophobicContact CG1-CD2 3.46Å; V80-L121 VanDerWaalsContact CG1-CD2 3.46Å
81S93.5Very high95.1Very high12 Ų1230.8 Ų30.88%0.08416%0.158CC..Hα-helixtrans-63.7-25.6177.754.50000113.9W77 R78W77-S81 WeakPolarHBondContact O-CB 3.4Å; W77-S81 PolarHBondContact O-N 3.5Å; W77-S81 PolarHBondContact O-OG 3.21Å; R78-S81 WeakPolarHBondContact CA-OG 3.49Å; R78-S81 PolarHBondContact O-OG 2.97Å
82T94.6Very high95.1Very high32 Ų3230.4 Ų30.420%0.19616%0.156CC..Hα-helixtrans-77-34.6171.2-51.60000112V20 L28 R78 F79 V80 P85 H86V20-T82 HydrophobicContact CG1-CG2 4.28Å; V20-T82 HydrophobicContact CG2-CG2 4.09Å; V20-T82 WeakPolarHBondContact CG2-OG1 3.3Å; L28-T82 HydrophobicContact CD1-CG2 3.81Å; R78-T82 VanDerWaalsContact O-CB 3.31Å; R78-T82 WeakPolarHBondContact O-CB 3.32Å; R78-T82 PolarHBondContact O-N 3.39Å; R78-T82 PolarHBondContact O-OG1 3.39Å; F79-T82 PolarHBondContact O-N 2.86Å; V80-T82 PolarHBondContact O-N 3.11Å; T82-P85 WeakPolarHBondContact O-CD 3.34Å; T82-P85 WeakPolarHBondContact O-CG 3.45Å; T82-H86 PolarHBondContact O-CD2 3.45Å
83A97.1Very high95.2Very high0 Ų023.7 Ų23.70%013%0.131CC..Hα-helixtrans-71.2-29.4177.400000113L28 V55 F79 V80 H86 I87L28-A83 HydrophobicContact CD1-CB 4.48Å; L28-A83 HydrophobicContact CD2-CB 3.84Å; V55-A83 HydrophobicContact CG1-CB 4Å; V55-A83 HydrophobicContact CG2-CB 3.86Å; F79-A83 WeakPolarHBondContact O-CB 3.26Å; F79-A83 PolarHBondContact O-N 2.89Å; V80-A83 WeakPolarHBondContact O-CB 3.45Å; V80-A83 PolarHBondContact O-N 3.47Å; A83-H86 WeakPolarHBondContact O-CA 3.32Å; A83-H86 VanDerWaalsContact O-CB 3.32Å; A83-H86 WeakPolarHBondContact O-CB 3.49Å; A83-H86 PolarHBondContact O-N 2.9Å; A83-I87 PolarHBondContact O-N 2.73Å; A83-I87 VanDerWaalsContact O-N 3.13Å
84F96.9Very high95.2Very high0 Ų020 Ų200%010%0.104CC..Hα-helixtrans-44.8-56.6-177.9-172.6-82.5000115.6V80 H86 I87 V88 L118 L121 V122 L153 S157 I158 F161V80-F84 PolarHBondContact O-N 3.24Å; V80-F84 VanDerWaalsContact O-N 3.08Å; F84-H86 PolarHBondContact O-N 3.18Å; F84-I87 PolarHBondContact O-N 3.45Å; F84-I87 VanDerWaalsContact O-N 3.08Å; F84-V88 HydrophobicContact CD1-CG2 3.86Å; F84-V88 HydrophobicContact CE1-CG2 3.44Å; F84-V88 VanDerWaalsContact CE1-CG2 3.44Å; F84-V88 HydrophobicContact CZ-CG2 3.95Å; F84-V88 PolarHBondContact O-N 3.42Å; F84-L118 HydrophobicContact CE2-CD1 4.33Å; F84-L118 HydrophobicContact CZ-CD1 4.43Å; F84-L121 HydrophobicContact CD2-CB 3.92Å; F84-L121 HydrophobicContact CD2-CD1 4.1Å; F84-L121 HydrophobicContact CD2-CD2 4.28Å; F84-L121 HydrophobicContact CD2-CG 4.35Å; F84-L121 HydrophobicContact CE2-CB 4.22Å; F84-V122 HydrophobicContact CE2-CG2 3.97Å; F84-V122 HydrophobicContact CZ-CG2 4.4Å; F84-L153 HydrophobicContact CB-CD2 4.06Å; F84-L153 HydrophobicContact CD2-CD1 3.54Å; F84-L153 HydrophobicContact CD2-CD2 3.78Å; F84-L153 HydrophobicContact CD2-CG 4.33Å; F84-L153 HydrophobicContact CE1-CD1 4.49Å; F84-L153 HydrophobicContact CE2-CD1 3.32Å; F84-L153 HydrophobicContact CE2-CD2 4.43Å; F84-L153 HydrophobicContact CG-CD1 4.25Å; F84-L153 HydrophobicContact CG-CD2 3.94Å; F84-L153 HydrophobicContact CZ-CD1 3.84Å; F84-S157 WeakPolarHBondContact CE1-O 3.48Å; F84-I158 HydrophobicContact CZ-CD1 4.35Å; F84-F161 HydrophobicContact CE1-CB 4.22Å; F84-F161 HydrophobicContact CZ-CB 4.34Å; F84-F161 AromaticContact CZ-CD2 3.94Å; F84-F161 HydrophobicContact CZ-CD2 3.94Å
85P95.7Very high95.3Very high31 Ų3118.8 Ų18.820%0.20110%0.098CC..Hα-helixtrans-61.1-30.2-179.924-36000113.5T82 H89 L160T82-P85 WeakPolarHBondContact O-CD 3.34Å; T82-P85 WeakPolarHBondContact O-CG 3.45Å; P85-H89 PolarHBondContact O-CD2 3.37Å; P85-H89 PolarHBondContact O-N 3.47Å; P85-H89 VanDerWaalsContact O-N 3.11Å; P85-L160 HydrophobicContact CB-CD2 3.52Å
86H97.4Very high95.4Very high37 Ų3717.9 Ų17.917%0.1719%0.094CC..Hα-helixtrans-67.9-42.3174.9-65.4-87000111.4T32 F51 T82 A83 F84 H89 C90T32-H86 WeakPolarHBondContact OG1-CB 3.14Å; T32-H86 PolarHBondContact OG1-ND1 2.73Å; F51-H86 HydrophobicContact CE1-CB 4.42Å; F51-H86 HydrophobicContact CZ-CB 4.22Å; T82-H86 PolarHBondContact O-CD2 3.45Å; A83-H86 WeakPolarHBondContact O-CA 3.32Å; A83-H86 VanDerWaalsContact O-CB 3.32Å; A83-H86 WeakPolarHBondContact O-CB 3.49Å; A83-H86 PolarHBondContact O-N 2.9Å; F84-H86 PolarHBondContact O-N 3.18Å; H86-H89 PolarHBondContact O-N 3.03Å; H86-C90 PolarHBondContact O-N 2.98Å; H86-C90 PolarHBondContact O-SG 3.39Å
87I98.1Very high95.2Very high0 Ų020.3 Ų20.30%011%0.106CC..Hα-helixtrans-65.3-42.4175.9-58.1-56000111.3F51 A83 F84 H89 C90 C91 M114 V117 L118 L121F51-I87 HydrophobicContact CB-CD1 3.74Å; F51-I87 HydrophobicContact CD1-CD1 3.46Å; F51-I87 VanDerWaalsContact CD1-CD1 3.46Å; F51-I87 HydrophobicContact CD2-CD1 3.74Å; F51-I87 HydrophobicContact CE1-CD1 3.83Å; F51-I87 HydrophobicContact CE2-CD1 4.09Å; F51-I87 HydrophobicContact CG-CD1 3.4Å; F51-I87 VanDerWaalsContact CG-CD1 3.4Å; F51-I87 HydrophobicContact CZ-CD1 4.11Å; A83-I87 PolarHBondContact O-N 2.73Å; A83-I87 VanDerWaalsContact O-N 3.13Å; F84-I87 PolarHBondContact O-N 3.45Å; F84-I87 VanDerWaalsContact O-N 3.08Å; I87-H89 VanDerWaalsContact C-N 3.34Å; I87-H89 PolarHBondContact O-N 3.45Å; I87-C90 PolarHBondContact O-N 3.4Å; I87-C90 VanDerWaalsContact O-N 3.15Å; I87-C91 PolarHBondContact O-N 3.13Å; I87-C91 PolarHBondContact O-SG 3.39Å; I87-M114 HydrophobicContact CD1-SD 4.5Å; I87-V117 HydrophobicContact CD1-CG1 3.87Å; I87-V117 HydrophobicContact CG1-CG1 3.93Å; I87-V117 HydrophobicContact CG2-CB 4.43Å; I87-V117 HydrophobicContact CG2-CG1 4.11Å; I87-L118 HydrophobicContact CG2-CB 4.06Å; I87-L118 HydrophobicContact CG2-CD1 4.38Å; I87-L121 HydrophobicContact CB-CD1 3.82Å; I87-L121 HydrophobicContact CG1-CD1 3.63Å; I87-L121 HydrophobicContact CG2-CD1 4.03Å
88V97.4Very high95.1Very high0 Ų021.4 Ų21.40%011%0.11CC..Hα-helixtrans-56.2-47.4174.6168.90000111.3F84 C90 C91 A92 L118 L160 F161 M164 L165F84-V88 HydrophobicContact CD1-CG2 3.86Å; F84-V88 HydrophobicContact CE1-CG2 3.44Å; F84-V88 VanDerWaalsContact CE1-CG2 3.44Å; F84-V88 HydrophobicContact CZ-CG2 3.95Å; F84-V88 PolarHBondContact O-N 3.42Å; V88-C90 PolarHBondContact O-N 2.99Å; V88-C91 PolarHBondContact O-N 3.08Å; V88-A92 WeakPolarHBondContact O-CB 3.34Å; V88-A92 PolarHBondContact O-N 2.91Å; V88-L118 HydrophobicContact CG2-CD1 3.99Å; V88-L160 HydrophobicContact CG1-CD2 4.47Å; V88-L160 HydrophobicContact CG1-CG 4.15Å; V88-F161 HydrophobicContact CG2-CB 4.25Å; V88-F161 HydrophobicContact CG2-CD2 4.19Å; V88-M164 HydrophobicContact CG1-CB 3.81Å; V88-M164 HydrophobicContact CG1-CG 4.18Å; V88-L165 HydrophobicContact CG1-CD1 4.31Å; V88-L165 HydrophobicContact CG1-CG 4.33Å
89H96Very high94.8Very high64 Ų6422.2 Ų22.230%0.29612%0.12SC..Hα-helixtrans-61.9-40.7175.6-79.9-59.2000113.1T32 P85 H86 I87 A93T32-H89 HydrophobicContact CG2-CB 4.25Å; P85-H89 PolarHBondContact O-CD2 3.37Å; P85-H89 PolarHBondContact O-N 3.47Å; P85-H89 VanDerWaalsContact O-N 3.11Å; H86-H89 PolarHBondContact O-N 3.03Å; I87-H89 VanDerWaalsContact C-N 3.34Å; I87-H89 PolarHBondContact O-N 3.45Å; H89-A93 WeakPolarHBondContact O-CB 3.26Å; H89-A93 PolarHBondContact O-N 3Å
90C97.2Very high94.2Very high0 Ų029.3 Ų29.30%016%0.157CC..Hα-helixtrans-67.1-39.5178.2-61.80000112.1F35 H86 I87 V88 L94 M114F35-C90 HydrophobicContact CD1-CB 4.04Å; F35-C90 HydrophobicContact CD2-CB 4.09Å; F35-C90 WeakPolarHBondContact CD2-SG 3.3Å; F35-C90 HydrophobicContact CE1-CB 4.03Å; F35-C90 HydrophobicContact CE2-CB 4.09Å; F35-C90 VanDerWaalsContact CE2-SG 3.57Å; F35-C90 HydrophobicContact CG-CB 4.06Å; F35-C90 HydrophobicContact CZ-CB 4.05Å; H86-C90 PolarHBondContact O-N 2.98Å; H86-C90 PolarHBondContact O-SG 3.39Å; I87-C90 PolarHBondContact O-N 3.4Å; I87-C90 VanDerWaalsContact O-N 3.15Å; V88-C90 PolarHBondContact O-N 2.99Å; C90-L94 WeakPolarHBondContact O-CG 3.3Å; C90-L94 PolarHBondContact O-N 3.18Å; C90-L94 VanDerWaalsContact O-N 3.17Å; C90-M114 HydrophobicContact CB-SD 4.41Å
91C97.1Very high93.4Very high0 Ų032.2 Ų32.20%018%0.178CC..Hα-helixtrans-63.8-49.4174.5-64.90000111.2I87 V88 A93 L94 L95 M114 L115 L118 L165I87-C91 PolarHBondContact O-N 3.13Å; I87-C91 PolarHBondContact O-SG 3.39Å; V88-C91 PolarHBondContact O-N 3.08Å; C91-A93 VanDerWaalsContact C-N 3.34Å; C91-A93 PolarHBondContact O-N 3.22Å; C91-L94 PolarHBondContact O-N 3.11Å; C91-L95 WeakPolarHBondContact O-CG 3.34Å; C91-L95 PolarHBondContact O-N 3.42Å; C91-M114 PolarHBondContact SG-O 3.37Å; C91-M114 VanDerWaalsContact SG-O 3.37Å; C91-L115 HydrophobicContact CB-CD2 4.43Å; C91-L118 HydrophobicContact CB-CD2 4.31Å; C91-L165 HydrophobicContact CB-CD2 3.94Å
92A95.8Very high91.8Very high2 Ų241 Ų412%0.01722%0.217CC..Hα-helixtrans-61-41.3179.900000112.1V88 L95 S96 M164 L165 L168V88-A92 WeakPolarHBondContact O-CB 3.34Å; V88-A92 PolarHBondContact O-N 2.91Å; A92-L95 PolarHBondContact O-N 2.99Å; A92-S96 PolarHBondContact O-N 3.49Å; A92-S96 PolarHBondContact O-OG 3.32Å; A92-S96 VanDerWaalsContact O-OG 3.13Å; A92-M164 HydrophobicContact CB-CB 3.96Å; A92-M164 HydrophobicContact CB-CE 3.6Å; A92-L165 HydrophobicContact CB-CD2 3.86Å; A92-L168 HydrophobicContact CB-CD1 4.09Å; A92-L168 VanDerWaalsContact O-CD1 3.3Å; A92-L168 WeakPolarHBondContact O-CD1 3.4Å
93A94.9Very high90.2Very high21 Ų2146.7 Ų46.717%0.17424%0.242CC..Hα-helixtrans-60.1-48.1174.800000112.1F35 I40 H89 C91 L95 S96 E97F35-A93 HydrophobicContact CB-CB 3.88Å; F35-A93 HydrophobicContact CD1-CB 4.29Å; I40-A93 HydrophobicContact CD1-CB 4.02Å; H89-A93 WeakPolarHBondContact O-CB 3.26Å; H89-A93 PolarHBondContact O-N 3Å; C91-A93 VanDerWaalsContact C-N 3.34Å; C91-A93 PolarHBondContact O-N 3.22Å; A93-L95 VanDerWaalsContact C-N 3.31Å; A93-L95 PolarHBondContact O-N 2.8Å; A93-S96 PolarHBondContact O-N 3.47Å; A93-E97 PolarHBondContact O-N 3.24Å
94L94.9Very high88.6Confident4 Ų453.2 Ų53.22%0.02128%0.284CS..Hα-helixtrans-66.4-30.5179.2-72.7167.5000113.1F35 I40 C90 C91 R98 L111 M114F35-L94 HydrophobicContact CD1-CG 4.16Å; F35-L94 HydrophobicContact CE1-CD1 3.8Å; F35-L94 HydrophobicContact CE1-CD2 4.19Å; F35-L94 HydrophobicContact CE1-CG 3.85Å; I40-L94 HydrophobicContact CD1-CD2 3.84Å; I40-L94 HydrophobicContact CD1-CG 4.19Å; C90-L94 WeakPolarHBondContact O-CG 3.3Å; C90-L94 PolarHBondContact O-N 3.18Å; C90-L94 VanDerWaalsContact O-N 3.17Å; C91-L94 PolarHBondContact O-N 3.11Å; L94-R98 PolarHBondContact O-N 2.9Å; L94-L111 HydrophobicContact CB-CB 4.27Å; L94-L111 HydrophobicContact CB-CD1 3.83Å; L94-L111 HydrophobicContact CD1-CB 4.41Å; L94-M114 HydrophobicContact CD1-CB 4.08Å; L94-M114 HydrophobicContact CD1-CG 3.79Å
95L94.3Very high87.3Confident0 Ų055 Ų550%030%0.303CS..Hα-helixtrans-72.2-40.8173.1-70.4169.2000111.6C91 A92 A93 R98 L99 L111 L165 L168 C171 V172C91-L95 WeakPolarHBondContact O-CG 3.34Å; C91-L95 PolarHBondContact O-N 3.42Å; A92-L95 PolarHBondContact O-N 2.99Å; A93-L95 VanDerWaalsContact C-N 3.31Å; A93-L95 PolarHBondContact O-N 2.8Å; L95-R98 WeakPolarHBondContact O-CB 3.49Å; L95-R98 PolarHBondContact O-N 3.48Å; L95-R98 VanDerWaalsContact O-N 3.12Å; L95-L99 PolarHBondContact O-N 3.21Å; L95-L111 HydrophobicContact CD2-CD1 3.94Å; L95-L111 HydrophobicContact CD2-CD2 3.91Å; L95-L111 HydrophobicContact CG-CD1 4Å; L95-L165 HydrophobicContact CD1-CD2 3.86Å; L95-L168 HydrophobicContact CB-CB 4.07Å; L95-L168 HydrophobicContact CB-CD1 3.91Å; L95-L168 HydrophobicContact CD1-CB 4.34Å; L95-C171 HydrophobicContact CB-CB 4.32Å; L95-C171 HydrophobicContact CD2-CB 3.94Å; L95-V172 HydrophobicContact CD2-CG2 3.49Å; L95-V172 VanDerWaalsContact CD2-CG2 3.49Å
96S92.5Very high86.7Confident48 Ų4863 Ų6334%0.33633%0.329SS..Hα-helixtrans-62.5-39.3172.2-63.20000112.5A92 A93 R98 L99 D100 L168A92-S96 PolarHBondContact O-N 3.49Å; A92-S96 PolarHBondContact O-OG 3.32Å; A92-S96 VanDerWaalsContact O-OG 3.13Å; A93-S96 PolarHBondContact O-N 3.47Å; S96-R98 VanDerWaalsContact C-N 3.27Å; S96-R98 PolarHBondContact O-N 3.26Å; S96-L99 WeakPolarHBondContact O-CB 3.14Å; S96-L99 PolarHBondContact O-N 2.99Å; S96-L99 VanDerWaalsContact O-N 3.13Å; S96-D100 PolarHBondContact O-N 2.91Å; S96-D100 VanDerWaalsContact O-N 3.09Å; S96-L168 WeakPolarHBondContact OG-CD1 3.4Å
97E90.1Very high86.4Confident84 Ų8461.6 Ų61.639%0.39332%0.322SS..Hα-helixtrans-65.2-30.2173.3-174.9171.2-117.200112.2I40 A93 S101I40-E97 HydrophobicContact CD1-CB 3.94Å; A93-E97 PolarHBondContact O-N 3.24Å; E97-S101 WeakPolarHBondContact O-CB 3.38Å
98R89.9Confident86Confident47 Ų4764.3 Ų64.318%0.17734%0.341CS..Hα-helixtrans-70.7-36.3170.9-160.5-173-169-170.76.7111.9L94 L95 S96 S101 G105 L107 C171 D176L94-R98 PolarHBondContact O-N 2.9Å; L95-R98 WeakPolarHBondContact O-CB 3.49Å; L95-R98 PolarHBondContact O-N 3.48Å; L95-R98 VanDerWaalsContact O-N 3.12Å; S96-R98 VanDerWaalsContact C-N 3.27Å; S96-R98 PolarHBondContact O-N 3.26Å; R98-S101 WeakPolarHBondContact O-CB 3.47Å; R98-S101 PolarHBondContact O-N 3.43Å; R98-G105 PolarHBondContact NH2-O 3.28Å; R98-L107 VanDerWaalsContact NH1-CD2 3.33Å; R98-C171 WeakPolarHBondContact CD-O 3.04Å; R98-C171 PolarHBondContact NH1-O 2.89Å; R98-D176 IonicContact CZ-OD1 3.66Å; R98-D176 IonicContact CZ-OD2 3.38Å; R98-D176 IonicContact NH1-OD1 3.24Å; R98-D176 IonicContact NH1-OD2 2.7Å; R98-D176 PolarHBondContact NH1-OD2 3.31Å; R98-D176 VanDerWaalsContact NH2-CG 3.3Å; R98-D176 IonicContact NH2-OD1 2.81Å; R98-D176 PolarHBondContact NH2-OD1 3.07Å; R98-D176 IonicContact NH2-OD2 3.06Å; R98-D176 PolarHBondContact NH2-OD2 3.39Å
99L87Confident85.8Confident84 Ų8471 Ų7144%0.4437%0.373SS..Hα-helixtrans-65.5-40.5178.7-176.853.1000112.8L95 S96 S101 L168 Y170L95-L99 PolarHBondContact O-N 3.21Å; S96-L99 WeakPolarHBondContact O-CB 3.14Å; S96-L99 PolarHBondContact O-N 2.99Å; S96-L99 VanDerWaalsContact O-N 3.13Å; L99-S101 PolarHBondContact O-N 2.91Å; L99-L168 HydrophobicContact CD2-CD2 4.07Å; L99-Y170 HydrophobicContact CD1-CE2 3.83Å; L99-Y170 HydrophobicContact CD2-CE2 4.36Å
100D81.5Confident85.7Confident149 Ų14968.3 Ų68.380%0.79736%0.361SS*.THydrogen-bonded Turntrans-74.1-4.8175.4-77.4-18.1000113.5S96S96-D100 PolarHBondContact O-N 2.91Å; S96-D100 VanDerWaalsContact O-N 3.09Å
101S79.9Confident85.6Confident62 Ų6268.4 Ų68.443%0.43436%0.361SS..  trans-102.4114.8-173.8-174.60000112.2E97 R98 L99 Q103E97-S101 WeakPolarHBondContact O-CB 3.38Å; R98-S101 WeakPolarHBondContact O-CB 3.47Å; R98-S101 PolarHBondContact O-N 3.43Å; L99-S101 PolarHBondContact O-N 2.91Å; S101-Q103 PolarHBondContact O-N 3.09Å
102E60.5Low85.6Confident195 Ų19571.2 Ų71.291%0.91138%0.375SS*.SBendtrans-653.9179.1-60.5-172.5143.700115P104E102-P104 VanDerWaalsContact O-CD 3.22Å; E102-P104 WeakPolarHBondContact O-CD 3.38Å
103Q60.8Low85.6Confident153 Ų15373.3 Ų73.372%0.71538%0.383SS*.  trans-100.8105178.5-65.1-166.411.200111.7S101 G105S101-Q103 PolarHBondContact O-N 3.09Å; Q103-G105 PolarHBondContact O-N 3.03Å
104P62.9Low85.7Confident137 Ų13772.3 Ų72.389%0.8938%0.375SS*.  trans-73.859.4168.532.9-36.5000111E102E102-P104 VanDerWaalsContact O-CD 3.22Å; E102-P104 WeakPolarHBondContact O-CD 3.38Å
105G70.4Confident85.8Confident37 Ų3772.1 Ų72.138%0.38137%0.374SS..  trans-92.517017200000112R98 Q103R98-G105 PolarHBondContact NH2-O 3.28Å; Q103-G105 PolarHBondContact O-N 3.03Å
106R82.3Confident86Confident198 Ų19875 Ų7575%0.74739%0.385SS*.  trans-54.5151.8174.9-66.9-179.9165-170-10.4112S108 E179R106-S108 PolarHBondContact O-N 2.97Å; R106-E179 IonicContact CZ-OE2 3.51Å; R106-E179 IonicContact NE-OE2 2.83Å; R106-E179 IonicContact NH2-OE2 2.73Å; R106-E179 PolarHBondContact NH2-OE2 3.38Å
107L90.4Very high86.2Confident8 Ų872.7 Ų72.74%0.04237%0.369CS..  trans-42.5134.3171.1-61.5174.4000112.3R98 L111 Q112 L115 D176 L183R98-L107 VanDerWaalsContact NH1-CD2 3.33Å; L107-L111 HydrophobicContact CD2-CD2 3.49Å; L107-L111 VanDerWaalsContact CD2-CD2 3.49Å; L107-L111 HydrophobicContact CD2-CG 3.97Å; L107-Q112 HydrophobicContact CB-CG 3.52Å; L107-Q112 HydrophobicContact CD1-CG 4.01Å; L107-Q112 HydrophobicContact CG-CG 4.44Å; L107-Q112 PolarHBondContact O-NE2 3.27Å; L107-L115 HydrophobicContact CD1-CD1 4.17Å; L107-L115 HydrophobicContact CD2-CD1 4.44Å; L107-D176 HydrophobicContact CD1-CB 3.89Å; L107-D176 WeakPolarHBondContact CD1-O 3.5Å; L107-D176 HydrophobicContact CD2-CB 4.1Å; L107-D176 HydrophobicContact CG-CB 3.75Å; L107-D176 PolarHBondContact N-OD1 3.37Å; L107-L183 HydrophobicContact CD1-CD1 3.54Å
108S91.2Very high86.6Confident57 Ų5768.8 Ų68.840%0.39935%0.351SS..  trans-63.3153.4172.873.10000111.2R106 S110 L111 Q112R106-S108 PolarHBondContact O-N 2.97Å; S108-S110 PolarHBondContact O-N 3.18Å; S108-L111 PolarHBondContact O-N 3.47Å; S108-L111 WeakPolarHBondContact OG-CB 3.38Å; S108-L111 PolarHBondContact OG-N 3.23Å; S108-Q112 WeakPolarHBondContact O-CG 3.32Å; S108-Q112 PolarHBondContact O-N 2.95Å
109Q92.6Very high86.9Confident141 Ų14167 Ų6766%0.65935%0.345SS*.Hα-helixtrans-59.5-32.3-179.3-65.4-170.21900112.8K113Q109-K113 VanDerWaalsContact O-CG 3.29Å; Q109-K113 WeakPolarHBondContact O-CG 3.45Å; Q109-K113 PolarHBondContact O-N 2.79Å; Q109-K113 VanDerWaalsContact O-N 3.12Å
110S94.7Very high87.3Confident7 Ų763.2 Ų63.25%0.04933%0.325CS..Hα-helixtrans-65.5-47.1173.4-600000111.8H44 S108 K113 M114H44-S110 PolarHBondContact CD2-OG 3.41Å; H44-S110 VanDerWaalsContact CD2-OG 3.26Å; H44-S110 VanDerWaalsContact NE2-CB 3.28Å; H44-S110 WeakPolarHBondContact NE2-CB 3.45Å; H44-S110 PolarHBondContact NE2-OG 2.65Å; S108-S110 PolarHBondContact O-N 3.18Å; S110-K113 PolarHBondContact O-N 2.96Å; S110-M114 WeakPolarHBondContact O-CG 3.37Å; S110-M114 PolarHBondContact O-N 3.4Å
111L95Very high88Confident2 Ų256.3 Ų56.31%0.0129%0.288CS..Hα-helixtrans-65.6-42.1178-178.256.8000111.5L94 L95 L107 S108 K113 M114 L115L94-L111 HydrophobicContact CB-CB 4.27Å; L94-L111 HydrophobicContact CB-CD1 3.83Å; L94-L111 HydrophobicContact CD1-CB 4.41Å; L95-L111 HydrophobicContact CD2-CD1 3.94Å; L95-L111 HydrophobicContact CD2-CD2 3.91Å; L95-L111 HydrophobicContact CG-CD1 4Å; L107-L111 HydrophobicContact CD2-CD2 3.49Å; L107-L111 VanDerWaalsContact CD2-CD2 3.49Å; L107-L111 HydrophobicContact CD2-CG 3.97Å; S108-L111 PolarHBondContact O-N 3.47Å; S108-L111 WeakPolarHBondContact OG-CB 3.38Å; S108-L111 PolarHBondContact OG-N 3.23Å; L111-K113 VanDerWaalsContact C-N 3.33Å; L111-K113 PolarHBondContact O-N 2.85Å; L111-M114 PolarHBondContact O-N 3.29Å; L111-L115 HydrophobicContact CD1-CD1 4.19Å; L111-L115 HydrophobicContact CD1-CD2 4.05Å; L111-L115 HydrophobicContact CD1-CG 3.82Å; L111-L115 HydrophobicContact CG-CD1 4.28Å; L111-L115 HydrophobicContact CG-CG 4.27Å; L111-L115 WeakPolarHBondContact O-CB 3.42Å; L111-L115 WeakPolarHBondContact O-CG 3.48Å; L111-L115 PolarHBondContact O-N 3.27Å
112Q95.2Very high88.7Confident59 Ų5953.8 Ų53.828%0.27627%0.27SS..Hα-helixtrans-56.7-44.8173.3-66.5-179.828.200112.2L107 S108 Y116 N180L107-Q112 HydrophobicContact CB-CG 3.52Å; L107-Q112 HydrophobicContact CD1-CG 4.01Å; L107-Q112 HydrophobicContact CG-CG 4.44Å; L107-Q112 PolarHBondContact O-NE2 3.27Å; S108-Q112 WeakPolarHBondContact O-CG 3.32Å; S108-Q112 PolarHBondContact O-N 2.95Å; Q112-Y116 WeakPolarHBondContact O-CB 3.2Å; Q112-Y116 PolarHBondContact O-N 2.88Å; Q112-N180 PolarHBondContact OE1-ND2 2.71Å; Q112-N180 VanDerWaalsContact OE1-ND2 3.1Å
113K96.1Very high90.2Very high47 Ų4747.1 Ų47.120%0.20424%0.238CC..Hα-helixtrans-66.1-41.5177.4-71.6169.3-175162.30112.2C48 V49 E52 Q109 S110 L111 Y116 V117C48-K113 HydrophobicContact CB-CB 4.3Å; C48-K113 HydrophobicContact CB-CD 4.36Å; V49-K113 HydrophobicContact CG2-CD 4.17Å; E52-K113 WeakPolarHBondContact OE2-CG 3.29Å; Q109-K113 VanDerWaalsContact O-CG 3.29Å; Q109-K113 WeakPolarHBondContact O-CG 3.45Å; Q109-K113 PolarHBondContact O-N 2.79Å; Q109-K113 VanDerWaalsContact O-N 3.12Å; S110-K113 PolarHBondContact O-N 2.96Å; L111-K113 VanDerWaalsContact C-N 3.33Å; L111-K113 PolarHBondContact O-N 2.85Å; K113-Y116 PolarHBondContact O-N 3.21Å; K113-V117 WeakPolarHBondContact O-CG2 3.43Å; K113-V117 PolarHBondContact O-N 3.45Å
114M97.4Very high91.8Very high0 Ų043.6 Ų43.60%022%0.224CC..Hα-helixtrans-73.3-36-178.9-63.1-62.981.400112.9C48 F51 I87 C90 C91 L94 S110 L111 V117 L118C48-M114 VanDerWaalsContact CA-CE 3.49Å; C48-M114 HydrophobicContact CB-CE 3.8Å; C48-M114 HydrophobicContact CB-CG 4.23Å; C48-M114 HydrophobicContact CB-SD 4.1Å; C48-M114 VanDerWaalsContact O-CE 3.26Å; C48-M114 WeakPolarHBondContact O-CE 3.48Å; C48-M114 WeakPolarHBondContact SG-CG 3.44Å; F51-M114 HydrophobicContact CB-CE 3.97Å; F51-M114 HydrophobicContact CB-SD 4.36Å; F51-M114 HydrophobicContact CD2-SD 3.95Å; I87-M114 HydrophobicContact CD1-SD 4.5Å; C90-M114 HydrophobicContact CB-SD 4.41Å; C91-M114 PolarHBondContact SG-O 3.37Å; C91-M114 VanDerWaalsContact SG-O 3.37Å; L94-M114 HydrophobicContact CD1-CB 4.08Å; L94-M114 HydrophobicContact CD1-CG 3.79Å; S110-M114 WeakPolarHBondContact O-CG 3.37Å; S110-M114 PolarHBondContact O-N 3.4Å; L111-M114 PolarHBondContact O-N 3.29Å; M114-V117 HydrophobicContact CE-CB 4.21Å; M114-V117 HydrophobicContact CE-CG2 3.8Å; M114-V117 PolarHBondContact O-N 2.78Å; M114-L118 VanDerWaalsContact O-CB 3.3Å; M114-L118 WeakPolarHBondContact O-CB 3.49Å; M114-L118 PolarHBondContact O-N 3.22Å
115L97.2Very high93.2Very high0 Ų037.1 Ų37.10%018%0.182CC..Hα-helixtrans-63.8-42169.1-65.2-169.8000111.6C91 L107 L111 V117 L118 H119 V172 I177 L183 W190C91-L115 HydrophobicContact CB-CD2 4.43Å; L107-L115 HydrophobicContact CD1-CD1 4.17Å; L107-L115 HydrophobicContact CD2-CD1 4.44Å; L111-L115 HydrophobicContact CD1-CD1 4.19Å; L111-L115 HydrophobicContact CD1-CD2 4.05Å; L111-L115 HydrophobicContact CD1-CG 3.82Å; L111-L115 HydrophobicContact CG-CD1 4.28Å; L111-L115 HydrophobicContact CG-CG 4.27Å; L111-L115 WeakPolarHBondContact O-CB 3.42Å; L111-L115 WeakPolarHBondContact O-CG 3.48Å; L111-L115 PolarHBondContact O-N 3.27Å; L115-V117 PolarHBondContact O-N 2.91Å; L115-L118 HydrophobicContact CD2-CD2 4.4Å; L115-L118 WeakPolarHBondContact O-CB 3.15Å; L115-L118 PolarHBondContact O-N 3.28Å; L115-H119 WeakPolarHBondContact O-CB 3.14Å; L115-H119 PolarHBondContact O-N 2.99Å; L115-H119 PolarHBondContact O-ND1 2.83Å; L115-V172 HydrophobicContact CD1-CG2 4.19Å; L115-I177 HydrophobicContact CD1-CD1 4.27Å; L115-L183 HydrophobicContact CB-CD1 4.48Å; L115-L183 HydrophobicContact CB-CD2 3.89Å; L115-W190 HydrophobicContact CD1-CZ2 4.16Å; L115-W190 HydrophobicContact CD2-CZ2 3.9Å
116Y97.5Very high94.2Very high59 Ų5936.3 Ų36.323%0.23117%0.171CC..Hα-helixtrans-59.3-46.1174168.8-101.6000112.7E52 V56 Q112 K113 L118 H119 W120 R182E52-Y116 HydrophobicContact CG-CD1 4.48Å; E52-Y116 HydrophobicContact CG-CE1 4.42Å; V56-Y116 HydrophobicContact CG1-CE1 4.19Å; V56-Y116 HydrophobicContact CG2-CE1 4.2Å; Q112-Y116 WeakPolarHBondContact O-CB 3.2Å; Q112-Y116 PolarHBondContact O-N 2.88Å; K113-Y116 PolarHBondContact O-N 3.21Å; Y116-L118 VanDerWaalsContact C-N 3.31Å; Y116-L118 PolarHBondContact O-N 3.32Å; Y116-H119 PolarHBondContact O-N 3.36Å; Y116-W120 PolarHBondContact O-N 2.7Å; Y116-R182 HydrophobicContact CD2-CB 4.41Å; Y116-R182 WeakPolarHBondContact CD2-O 3.47Å
117V98Very high94.4Very high0 Ų031.1 Ų31.10%016%0.158CC..Hα-helixtrans-65-36.2177176.20000111.2E52 V55 V56 I87 K113 M114 L115 L121E52-V117 HydrophobicContact CB-CG2 3.96Å; E52-V117 HydrophobicContact CG-CG2 4.43Å; V55-V117 HydrophobicContact CB-CG1 4.44Å; V55-V117 HydrophobicContact CG1-CG1 4.38Å; V56-V117 HydrophobicContact CG2-CB 4.25Å; V56-V117 HydrophobicContact CG2-CG1 4.1Å; V56-V117 HydrophobicContact CG2-CG2 3.84Å; I87-V117 HydrophobicContact CD1-CG1 3.87Å; I87-V117 HydrophobicContact CG1-CG1 3.93Å; I87-V117 HydrophobicContact CG2-CB 4.43Å; I87-V117 HydrophobicContact CG2-CG1 4.11Å; K113-V117 WeakPolarHBondContact O-CG2 3.43Å; K113-V117 PolarHBondContact O-N 3.45Å; M114-V117 HydrophobicContact CE-CB 4.21Å; M114-V117 HydrophobicContact CE-CG2 3.8Å; M114-V117 PolarHBondContact O-N 2.78Å; L115-V117 PolarHBondContact O-N 2.91Å; V117-L121 HydrophobicContact CG1-CD1 4.19Å; V117-L121 VanDerWaalsContact O-CB 3.27Å; V117-L121 WeakPolarHBondContact O-CB 3.27Å; V117-L121 VanDerWaalsContact O-CG 3.24Å; V117-L121 WeakPolarHBondContact O-CG 3.45Å; V117-L121 PolarHBondContact O-N 3.08Å
118L97.6Very high94.4Very high2 Ų234.9 Ų34.91%0.0118%0.175CC..Hα-helixtrans-67.6-40175-177.665.7000112.4F84 I87 V88 C91 M114 L115 Y116 L121 V122 F161 L165F84-L118 HydrophobicContact CE2-CD1 4.33Å; F84-L118 HydrophobicContact CZ-CD1 4.43Å; I87-L118 HydrophobicContact CG2-CB 4.06Å; I87-L118 HydrophobicContact CG2-CD1 4.38Å; V88-L118 HydrophobicContact CG2-CD1 3.99Å; C91-L118 HydrophobicContact CB-CD2 4.31Å; M114-L118 VanDerWaalsContact O-CB 3.3Å; M114-L118 WeakPolarHBondContact O-CB 3.49Å; M114-L118 PolarHBondContact O-N 3.22Å; L115-L118 HydrophobicContact CD2-CD2 4.4Å; L115-L118 WeakPolarHBondContact O-CB 3.15Å; L115-L118 PolarHBondContact O-N 3.28Å; Y116-L118 VanDerWaalsContact C-N 3.31Å; Y116-L118 PolarHBondContact O-N 3.32Å; L118-L121 WeakPolarHBondContact O-CB 3.45Å; L118-L121 PolarHBondContact O-N 3.45Å; L118-V122 WeakPolarHBondContact O-CG2 3.3Å; L118-V122 PolarHBondContact O-N 3.08Å; L118-V122 VanDerWaalsContact O-N 3.08Å; L118-F161 HydrophobicContact CD1-CD2 4.12Å; L118-F161 HydrophobicContact CD1-CE2 4.05Å; L118-F161 HydrophobicContact CD2-CE2 4.02Å; L118-F161 HydrophobicContact CG-CE2 4.23Å; L118-L165 HydrophobicContact CD2-CD1 3.7Å
119H96.4Very high94.4Very high9 Ų932.2 Ų32.24%0.04216%0.156CC..Hα-helixtrans-64.3-51.7176-69.1156.3000111.1L115 Y116 L121 V122 F123 W190L115-H119 WeakPolarHBondContact O-CB 3.14Å; L115-H119 PolarHBondContact O-N 2.99Å; L115-H119 PolarHBondContact O-ND1 2.83Å; Y116-H119 PolarHBondContact O-N 3.36Å; H119-L121 PolarHBondContact O-N 2.79Å; H119-V122 PolarHBondContact O-N 3.11Å; H119-F123 WeakPolarHBondContact O-CD2 3.32Å; H119-F123 PolarHBondContact O-N 3.4Å; H119-W190 AromaticContact CE1-CD1 3.99Å; H119-W190 AromaticContact CE1-NE1 3.45Å; H119-W190 PolarHBondContact CE1-NE1 2.75Å; H119-W190 AromaticContact NE2-CD1 3.56Å; H119-W190 AromaticContact NE2-CE2 3.98Å; H119-W190 AromaticContact NE2-NE1 3.03Å; H119-W190 PolarHBondContact NE2-NE1 3.32Å
120W96.5Very high94.1Very high6 Ų626.1 Ų26.12%0.02313%0.13CC..Hα-helixtrans-55.6-40.3174.5179.582.2000112.3V55 V56 V80 Y116 V122 D124 S125 E128V55-W120 HydrophobicContact CG1-CZ3 4.17Å; V55-W120 VanDerWaalsContact O-CH2 3.26Å; V55-W120 WeakPolarHBondContact O-CH2 3.36Å; V55-W120 VanDerWaalsContact O-CZ3 3.23Å; V55-W120 WeakPolarHBondContact O-CZ3 3.41Å; V56-W120 HydrophobicContact CB-CD2 4.12Å; V56-W120 HydrophobicContact CB-CE3 4.26Å; V56-W120 HydrophobicContact CB-CG 4.46Å; V56-W120 HydrophobicContact CG1-CD2 3.83Å; V56-W120 HydrophobicContact CG1-CE3 4.46Å; V56-W120 HydrophobicContact CG1-CG 3.84Å; V56-W120 HydrophobicContact CG2-CB 4.17Å; V56-W120 HydrophobicContact CG2-CD2 3.79Å; V56-W120 HydrophobicContact CG2-CE3 3.71Å; V56-W120 HydrophobicContact CG2-CG 3.98Å; V56-W120 HydrophobicContact CG2-CZ3 4.43Å; V80-W120 HydrophobicContact CG1-CH2 4.35Å; V80-W120 HydrophobicContact CG1-CZ3 4.05Å; V80-W120 HydrophobicContact CG2-CH2 4.01Å; V80-W120 HydrophobicContact CG2-CZ3 4.22Å; Y116-W120 PolarHBondContact O-N 2.7Å; W120-V122 VanDerWaalsContact C-N 3.3Å; W120-V122 PolarHBondContact O-N 3.3Å; W120-D124 WeakPolarHBondContact CA-OD2 3.43Å; W120-D124 HydrophobicContact CG-CB 4.47Å; W120-D124 PolarHBondContact O-N 3.01Å; W120-D124 VanDerWaalsContact O-N 3.13Å; W120-S125 VanDerWaalsContact CH2-CB 3.47Å; W120-S125 VanDerWaalsContact O-CB 3.28Å; W120-S125 WeakPolarHBondContact O-CB 3.4Å; W120-S125 PolarHBondContact O-N 3.1Å; W120-E128 HydrophobicContact CZ2-CB 4.4Å; W120-E128 WeakPolarHBondContact CZ2-OE2 3.24Å; W120-E128 PolarHBondContact NE1-OE1 3.33Å; W120-E128 PolarHBondContact NE1-OE2 3.31Å
121L96.3Very high93.5Very high3 Ų331.1 Ų31.12%0.01616%0.156CC..Hα-helixtrans-62.6-32.8175.2-87.4171.1000114V55 V80 F84 I87 V117 L118 H119 S125V55-L121 HydrophobicContact CG1-CD2 4.21Å; V55-L121 HydrophobicContact CG1-CG 4.47Å; V80-L121 HydrophobicContact CG1-CD2 3.46Å; V80-L121 VanDerWaalsContact CG1-CD2 3.46Å; F84-L121 HydrophobicContact CD2-CB 3.92Å; F84-L121 HydrophobicContact CD2-CD1 4.1Å; F84-L121 HydrophobicContact CD2-CD2 4.28Å; F84-L121 HydrophobicContact CD2-CG 4.35Å; F84-L121 HydrophobicContact CE2-CB 4.22Å; I87-L121 HydrophobicContact CB-CD1 3.82Å; I87-L121 HydrophobicContact CG1-CD1 3.63Å; I87-L121 HydrophobicContact CG2-CD1 4.03Å; V117-L121 HydrophobicContact CG1-CD1 4.19Å; V117-L121 VanDerWaalsContact O-CB 3.27Å; V117-L121 WeakPolarHBondContact O-CB 3.27Å; V117-L121 VanDerWaalsContact O-CG 3.24Å; V117-L121 WeakPolarHBondContact O-CG 3.45Å; V117-L121 PolarHBondContact O-N 3.08Å; L118-L121 WeakPolarHBondContact O-CB 3.45Å; L118-L121 PolarHBondContact O-N 3.45Å; H119-L121 PolarHBondContact O-N 2.79Å; L121-S125 WeakPolarHBondContact CA-OG 3.38Å; L121-S125 PolarHBondContact O-OG 3.47Å
122V94.2Very high92.8Very high10 Ų1034.9 Ų34.96%0.06118%0.183CC..Hα-helixtrans-87-36.9-176.7164.60000112.5F84 L118 H119 W120 F161 L189 V201 F204F84-V122 HydrophobicContact CE2-CG2 3.97Å; F84-V122 HydrophobicContact CZ-CG2 4.4Å; L118-V122 WeakPolarHBondContact O-CG2 3.3Å; L118-V122 PolarHBondContact O-N 3.08Å; L118-V122 VanDerWaalsContact O-N 3.08Å; H119-V122 PolarHBondContact O-N 3.11Å; W120-V122 VanDerWaalsContact C-N 3.3Å; W120-V122 PolarHBondContact O-N 3.3Å; V122-F161 HydrophobicContact CG2-CE2 4.35Å; V122-L189 HydrophobicContact CG1-CD2 4.13Å; V122-V201 HydrophobicContact CG1-CG1 3.87Å; V122-V201 WeakPolarHBondContact O-CG1 3.33Å; V122-F204 HydrophobicContact CG1-CE2 4.03Å
123F92.4Very high91.7Very high55 Ų5535.3 Ų35.324%0.24119%0.185CC..THydrogen-bonded Turntrans-99.6-65.7-175-71.1-81.9000112.9H119 S188 L189 V201H119-F123 WeakPolarHBondContact O-CD2 3.32Å; H119-F123 PolarHBondContact O-N 3.4Å; F123-S188 WeakPolarHBondContact CZ-OG 3.48Å; F123-L189 HydrophobicContact CE2-CB 3.86Å; F123-L189 HydrophobicContact CE2-CD2 4.33Å; F123-L189 HydrophobicContact CZ-CB 3.8Å; F123-V201 HydrophobicContact CD1-CG1 4.25Å; F123-V201 HydrophobicContact CD1-CG2 4.21Å; F123-V201 HydrophobicContact CE1-CG1 4.33Å; F123-V201 HydrophobicContact CE1-CG2 3.48Å; F123-V201 VanDerWaalsContact CE1-CG2 3.48Å; F123-V201 HydrophobicContact CZ-CG2 3.81Å
124D92.5Very high90Very high79 Ų7936.6 Ų36.642%0.42219%0.194SC..THydrogen-bonded Turntrans-88-31.4-163.8-44.6-79.2000113.5W120 A126 I127 E128W120-D124 WeakPolarHBondContact CA-OD2 3.43Å; W120-D124 HydrophobicContact CG-CB 4.47Å; W120-D124 PolarHBondContact O-N 3.01Å; W120-D124 VanDerWaalsContact O-N 3.13Å; D124-A126 VanDerWaalsContact C-N 3.27Å; D124-A126 PolarHBondContact O-N 2.97Å; D124-A126 VanDerWaalsContact O-N 3.13Å; D124-I127 PolarHBondContact O-N 3.32Å; D124-E128 PolarHBondContact O-N 3.45Å
125S93.3Very high88.1Confident1 Ų140.4 Ų40.41%0.00723%0.233CC..Hα-helixtrans-65.3-25-162.877.50000115.2W120 L121 C129W120-S125 VanDerWaalsContact CH2-CB 3.47Å; W120-S125 VanDerWaalsContact O-CB 3.28Å; W120-S125 WeakPolarHBondContact O-CB 3.4Å; W120-S125 PolarHBondContact O-N 3.1Å; L121-S125 WeakPolarHBondContact CA-OG 3.38Å; L121-S125 PolarHBondContact O-OG 3.47Å; S125-C129 VanDerWaalsContact O-CB 3.31Å; S125-C129 WeakPolarHBondContact O-CB 3.31Å; S125-C129 PolarHBondContact O-N 2.87Å; S125-C129 PolarHBondContact O-SG 3.22Å
126A90.5Very high86Confident19 Ų1945 Ų4516%0.15727%0.265CS..Hα-helixtrans-66.3-46.9172.600000111.1W77 D124 A130 Y151W77-A126 HydrophobicContact CZ3-CB 4.37Å; D124-A126 VanDerWaalsContact C-N 3.27Å; D124-A126 PolarHBondContact O-N 2.97Å; D124-A126 VanDerWaalsContact O-N 3.13Å; A126-A130 PolarHBondContact O-N 3.34Å; A126-A130 VanDerWaalsContact O-N 3.08Å; A126-Y151 WeakPolarHBondContact O-CD1 3.49Å
127I87.6Confident83.5Confident90 Ų9048.8 Ų48.846%0.46229%0.289SS..Hα-helixtrans-70-49.7-177.7-57.6172.5000110D124 C129 A130 D131D124-I127 PolarHBondContact O-N 3.32Å; I127-C129 PolarHBondContact O-N 3.18Å; I127-A130 PolarHBondContact O-N 3.02Å; I127-D131 PolarHBondContact O-N 2.96Å
128E90.5Very high80.8Confident87 Ų8756.3 Ų56.341%0.40733%0.329SS..Hα-helixtrans-59.2-33178.1-78.4-170.1-145.400113.1W120 D124 S132W120-E128 HydrophobicContact CZ2-CB 4.4Å; W120-E128 WeakPolarHBondContact CZ2-OE2 3.24Å; W120-E128 PolarHBondContact NE1-OE1 3.33Å; W120-E128 PolarHBondContact NE1-OE2 3.31Å; D124-E128 PolarHBondContact O-N 3.45Å; E128-S132 WeakPolarHBondContact O-CB 3.49Å; E128-S132 PolarHBondContact O-N 3.01Å; E128-S132 PolarHBondContact O-OG 3.4Å
129C91Very high78.3Confident1 Ų164.3 Ų64.31%0.00737%0.366CS..Hα-helixtrans-73.9-39.6174.8-67.30000112.1W77 S125 I127 S132 E133 Y151W77-C129 HydrophobicContact CB-CB 3.92Å; W77-C129 HydrophobicContact CE3-CB 4.21Å; S125-C129 VanDerWaalsContact O-CB 3.31Å; S125-C129 WeakPolarHBondContact O-CB 3.31Å; S125-C129 PolarHBondContact O-N 2.87Å; S125-C129 PolarHBondContact O-SG 3.22Å; I127-C129 PolarHBondContact O-N 3.18Å; C129-S132 WeakPolarHBondContact O-CB 3.2Å; C129-S132 PolarHBondContact O-N 2.81Å; C129-E133 PolarHBondContact O-N 3.41Å; C129-Y151 HydrophobicContact CB-CD1 3.81Å; C129-Y151 HydrophobicContact CB-CE1 3.62Å
130A86.3Confident75.8Confident13 Ų1371.5 Ų71.511%0.10740%0.4CS..Hα-helixtrans-64.1-47.9177.100000111.7A126 I127 S132 E133 N134 Y151A126-A130 PolarHBondContact O-N 3.34Å; A126-A130 VanDerWaalsContact O-N 3.08Å; I127-A130 PolarHBondContact O-N 3.02Å; A130-S132 PolarHBondContact O-N 3.08Å; A130-E133 PolarHBondContact O-N 3.5Å; A130-E133 VanDerWaalsContact O-N 3.13Å; A130-N134 VanDerWaalsContact O-CB 3.31Å; A130-N134 WeakPolarHBondContact O-CB 3.49Å; A130-N134 PolarHBondContact O-N 3.28Å; A130-N134 PolarHBondContact O-ND2 2.9Å; A130-Y151 HydrophobicContact CB-CD1 4.35Å; A130-Y151 HydrophobicContact CB-CD2 4.16Å; A130-Y151 HydrophobicContact CB-CE1 4.04Å; A130-Y151 HydrophobicContact CB-CE2 3.87Å; A130-Y151 HydrophobicContact CB-CG 4.42Å
131D81.5Confident73.5Confident111 Ų11180.3 Ų80.359%0.59445%0.446SS*.Hα-helixtrans-59.8-35.1176.3-71-19000112.1I127 E133 G135I127-D131 PolarHBondContact O-N 2.96Å; D131-E133 VanDerWaalsContact C-N 3.35Å; D131-E133 PolarHBondContact O-N 3.21Å; D131-G135 PolarHBondContact O-N 2.83Å
132S80Confident71.1Confident82 Ų8283.5 Ų83.557%0.57347%0.469SS*.Hα-helixtrans-68-28.7177.7-65.90000114.1E128 C129 A130E128-S132 WeakPolarHBondContact O-CB 3.49Å; E128-S132 PolarHBondContact O-N 3.01Å; E128-S132 PolarHBondContact O-OG 3.4Å; C129-S132 WeakPolarHBondContact O-CB 3.2Å; C129-S132 PolarHBondContact O-N 2.81Å; A130-S132 PolarHBondContact O-N 3.08Å
133E72.2Confident69.1Low67 Ų6784.2 Ų84.231%0.31348%0.479SS..Hα-helixtrans-97.1-34.8-177.7-65.4-175.8-160.600111.1P75 R76 C129 A130 D131 G135 S136P75-E133 WeakPolarHBondContact CB-OE1 3.46Å; R76-E133 PolarHBondContact N-OE1 3.22Å; C129-E133 PolarHBondContact O-N 3.41Å; A130-E133 PolarHBondContact O-N 3.5Å; A130-E133 VanDerWaalsContact O-N 3.13Å; D131-E133 VanDerWaalsContact C-N 3.35Å; D131-E133 PolarHBondContact O-N 3.21Å; E133-G135 VanDerWaalsContact C-N 3.31Å; E133-G135 PolarHBondContact O-N 3.09Å; E133-S136 PolarHBondContact O-OG 3.12Å; E133-S136 VanDerWaalsContact O-OG 3.13Å
134N61.8Low67.3Low75 Ų7589 Ų8940%0.40150%0.501SS..Hα-helixtrans-68.6-21.2179.1-69.2-16.3000114.4A130 S136 L137A130-N134 VanDerWaalsContact O-CB 3.31Å; A130-N134 WeakPolarHBondContact O-CB 3.49Å; A130-N134 PolarHBondContact O-N 3.28Å; A130-N134 PolarHBondContact O-ND2 2.9Å; N134-S136 PolarHBondContact O-N 2.74Å; N134-L137 PolarHBondContact O-N 3.34Å
135G56.1Low65.6Low79 Ų7992.6 Ų92.681%0.81452%0.516SS*.THydrogen-bonded Turntrans-65.922.1-179.800000116.5D131 E133D131-G135 PolarHBondContact O-N 2.83Å; E133-G135 VanDerWaalsContact C-N 3.31Å; E133-G135 PolarHBondContact O-N 3.09Å
136S54.6Low64.1Low97 Ų9797.1 Ų97.168%0.67854%0.54SS*.THydrogen-bonded Turntrans-131.2-12.1-176.364.30000115.2E133 N134E133-S136 PolarHBondContact O-OG 3.12Å; E133-S136 VanDerWaalsContact O-OG 3.13Å; N134-S136 PolarHBondContact O-N 2.74Å
137L44.7Very low62.9Low139 Ų13998.8 Ų98.873%0.72855%0.546SS*.  trans-140.3118.3-179.1-79.7166000111.7N134N134-L137 PolarHBondContact O-N 3.34Å
138D39.9Very low61.8Low158 Ų15896.8 Ų96.885%0.84554%0.536SS*.  trans-66.6154.5148.3-75.7-61.3000109
139E45.7Very low60.8Low169 Ų16998.3 Ų98.379%0.7954%0.543SS*.  trans71.2135.3-171-46.6-175.742.400113.6
140Q44.5Very low60.1Low161 Ų161104.4 Ų104.475%0.75257%0.571SS**  cis-136164.317.7-71.3-178.8-14.400113.1S142Q140-S142 PolarHBondContact O-N 2.97Å
141L48.7Very low60Low190 Ų190104.8 Ų104.8100%0.99557%0.57SS**  trans-78.150.7179-69.7156.1000113.3
142S44.7Very low60.3Low70 Ų70101.8 Ų101.849%0.4955%0.554SS.*  trans-75.8157.2158.847.70000110.1Q140Q140-S142 PolarHBondContact O-N 2.97Å
143G53.2Low60.7Low26 Ų2698.6 Ų98.627%0.26853%0.53SS..  trans-61.7144.3-169.900000113.3E145 D146 L147G143-E145 PolarHBondContact O-N 3.08Å; G143-D146 PolarHBondContact N-OD2 2.95Å; G143-D146 WeakPolarHBondContact O-CB 3.24Å; G143-D146 PolarHBondContact O-N 3.02Å; G143-D146 VanDerWaalsContact O-N 3.14Å; G143-L147 PolarHBondContact O-N 3.29Å; G143-L147 VanDerWaalsContact O-N 3.14Å
144Q54Low61.3Low154 Ų15497.8 Ų97.872%0.7253%0.531SS*.Hα-helixtrans-57.7-28.6167-177.3175.8-20.800110.9L148Q144-L148 HydrophobicContact CG-CD1 4.29Å; Q144-L148 WeakPolarHBondContact O-CG 3.44Å; Q144-L148 PolarHBondContact O-N 3.05Å
145E57.3Low62.3Low156 Ų15698.7 Ų98.773%0.72953%0.534SS*.Hα-helixtrans-68.6-48.9173.5-65.1154.3146.300111.8G143 L147 L148 E149G143-E145 PolarHBondContact O-N 3.08Å; E145-L147 PolarHBondContact O-N 3.19Å; E145-L148 PolarHBondContact O-N 2.77Å; E145-L148 VanDerWaalsContact O-N 3.11Å; E145-E149 PolarHBondContact O-N 3.24Å
146D61Low63.6Low95 Ų9598.8 Ų98.851%0.50851%0.513SS..Hα-helixtrans-55.2-35.4173.9-68.7-55.7000112.1G143 Q150G143-D146 PolarHBondContact N-OD2 2.95Å; G143-D146 WeakPolarHBondContact O-CB 3.24Å; G143-D146 PolarHBondContact O-N 3.02Å; G143-D146 VanDerWaalsContact O-N 3.14Å; D146-Q150 WeakPolarHBondContact O-CG 3.33Å; D146-Q150 PolarHBondContact O-NE2 3.39Å
147L65.2Low65.4Low55 Ų5594.2 Ų94.229%0.28848%0.481SS..Hα-helixtrans-70.8-53.1175.2-68.8173.3000110.5G143 E145 E149 Q150 Y151G143-L147 PolarHBondContact O-N 3.29Å; G143-L147 VanDerWaalsContact O-N 3.14Å; E145-L147 PolarHBondContact O-N 3.19Å; L147-E149 VanDerWaalsContact C-N 3.26Å; L147-E149 PolarHBondContact O-N 2.79Å; L147-Q150 WeakPolarHBondContact O-CB 3.4Å; L147-Q150 PolarHBondContact O-N 3.43Å; L147-Y151 WeakPolarHBondContact O-CD2 3.37Å
148L65.5Low67.6Low48 Ų4888.2 Ų88.225%0.25145%0.45SS..Hα-helixtrans-58.5-34.5-179.4-74.2166.8000112.9Q144 E145 Q150 Y151 L152 L202Q144-L148 HydrophobicContact CG-CD1 4.29Å; Q144-L148 WeakPolarHBondContact O-CG 3.44Å; Q144-L148 PolarHBondContact O-N 3.05Å; E145-L148 PolarHBondContact O-N 2.77Å; E145-L148 VanDerWaalsContact O-N 3.11Å; L148-Q150 PolarHBondContact O-N 3.2Å; L148-Y151 CarbonylContact O-C 3.48Å; L148-Y151 PolarHBondContact O-N 2.87Å; L148-L152 PolarHBondContact O-N 3.33Å; L148-L202 HydrophobicContact CD1-CD1 4.17Å; L148-L202 HydrophobicContact CD2-CD1 4Å
149E68.4Low70Confident119 Ų11984.7 Ų84.756%0.55643%0.428SS*.Hα-helixtrans-58.4-32.2173.8-76.9-158176.800113.6E145 L147 Y151 L152E145-E149 PolarHBondContact O-N 3.24Å; L147-E149 VanDerWaalsContact C-N 3.26Å; L147-E149 PolarHBondContact O-N 2.79Å; E149-Y151 VanDerWaalsContact C-N 3.29Å; E149-Y151 PolarHBondContact O-N 3.27Å; E149-L152 HydrophobicContact CB-CD1 4.26Å; E149-L152 HydrophobicContact CG-CD1 4.27Å; E149-L152 WeakPolarHBondContact O-CG 3.33Å; E149-L152 PolarHBondContact O-N 3.25Å
150Q77.3Confident72.3Confident128 Ų12878.6 Ų78.660%0.59840%0.401SS*.Hα-helixtrans-73.2-24.7178-63.4168.868.300112.3W77 D146 L147 L148W77-Q150 PolarHBondContact NE1-O 3.4Å; D146-Q150 WeakPolarHBondContact O-CG 3.33Å; D146-Q150 PolarHBondContact O-NE2 3.39Å; L147-Q150 WeakPolarHBondContact O-CB 3.4Å; L147-Q150 PolarHBondContact O-N 3.43Å; L148-Q150 PolarHBondContact O-N 3.2Å
151Y84.7Confident74.6Confident22 Ų2271 Ų719%0.08637%0.365CS..THydrogen-bonded Turntrans-98.921.5178.1-64.1-99.9000112.7W77 A126 C129 A130 L147 L148 E149W77-Y151 HydrophobicContact CB-CD1 3.63Å; W77-Y151 HydrophobicContact CB-CE1 3.57Å; W77-Y151 AromaticContact CD1-CD1 3.98Å; W77-Y151 AromaticContact CD2-CD1 3.77Å; W77-Y151 HydrophobicContact CD2-CD1 3.77Å; W77-Y151 HydrophobicContact CD2-CG 4.43Å; W77-Y151 HydrophobicContact CE3-CD1 4.1Å; W77-Y151 AromaticContact CG-CD1 3.51Å; W77-Y151 HydrophobicContact CG-CD1 3.51Å; W77-Y151 AromaticContact CG-CE1 3.97Å; W77-Y151 HydrophobicContact CG-CE1 3.97Å; W77-Y151 HydrophobicContact CG-CG 4.3Å; W77-Y151 VanDerWaalsContact CH2-O 3.27Å; W77-Y151 WeakPolarHBondContact CH2-O 3.49Å; W77-Y151 VanDerWaalsContact CZ2-C 3.44Å; W77-Y151 WeakPolarHBondContact CZ2-O 3.29Å; A126-Y151 WeakPolarHBondContact O-CD1 3.49Å; C129-Y151 HydrophobicContact CB-CD1 3.81Å; C129-Y151 HydrophobicContact CB-CE1 3.62Å; A130-Y151 HydrophobicContact CB-CD1 4.35Å; A130-Y151 HydrophobicContact CB-CD2 4.16Å; A130-Y151 HydrophobicContact CB-CE1 4.04Å; A130-Y151 HydrophobicContact CB-CE2 3.87Å; A130-Y151 HydrophobicContact CB-CG 4.42Å; L147-Y151 WeakPolarHBondContact O-CD2 3.37Å; L148-Y151 CarbonylContact O-C 3.48Å; L148-Y151 PolarHBondContact O-N 2.87Å; E149-Y151 VanDerWaalsContact C-N 3.29Å; E149-Y151 PolarHBondContact O-N 3.27Å
152L86.5Confident76.7Confident48 Ų4864.8 Ų64.825%0.25134%0.335SS..PPolyproline II helixtrans-78.7139171.2-68.6171.4000112.5L148 E149 S206L148-L152 PolarHBondContact O-N 3.33Å; E149-L152 HydrophobicContact CB-CD1 4.26Å; E149-L152 HydrophobicContact CG-CD1 4.27Å; E149-L152 WeakPolarHBondContact O-CG 3.33Å; E149-L152 PolarHBondContact O-N 3.25Å; L152-S206 WeakPolarHBondContact CD1-OG 3.49Å
153L87.9Confident79.1Confident15 Ų1568.4 Ų68.48%0.07934%0.339CS..PPolyproline II helixtrans-67.7136.9170.9-71.3169.5000110W77 F84 M155 I158 C203W77-L153 HydrophobicContact CH2-CD2 3.66Å; W77-L153 HydrophobicContact CH2-CG 3.94Å; W77-L153 HydrophobicContact CZ2-CD2 3.98Å; W77-L153 HydrophobicContact CZ2-CG 4.26Å; F84-L153 HydrophobicContact CB-CD2 4.06Å; F84-L153 HydrophobicContact CD2-CD1 3.54Å; F84-L153 HydrophobicContact CD2-CD2 3.78Å; F84-L153 HydrophobicContact CD2-CG 4.33Å; F84-L153 HydrophobicContact CE1-CD1 4.49Å; F84-L153 HydrophobicContact CE2-CD1 3.32Å; F84-L153 HydrophobicContact CE2-CD2 4.43Å; F84-L153 HydrophobicContact CG-CD1 4.25Å; F84-L153 HydrophobicContact CG-CD2 3.94Å; F84-L153 HydrophobicContact CZ-CD1 3.84Å; L153-M155 PolarHBondContact O-N 2.78Å; L153-I158 HydrophobicContact CB-CD1 3.94Å; L153-I158 HydrophobicContact CB-CG1 4.23Å; L153-I158 HydrophobicContact CD1-CD1 3.88Å; L153-C203 HydrophobicContact CB-CB 4.3Å; L153-C203 HydrophobicContact CD1-CB 3.97Å; L153-C203 HydrophobicContact CG-CB 4.41Å
154P84.8Confident81Confident49 Ų4970.2 Ų70.232%0.31834%0.341SS..PPolyproline II helixtrans-59139.5178.5-25.134.1000112.4H156 S157 I158P154-H156 PolarHBondContact O-N 2.88Å; P154-S157 WeakPolarHBondContact O-CA 3.2Å; P154-S157 VanDerWaalsContact O-CB 3.24Å; P154-S157 WeakPolarHBondContact O-CB 2.97Å; P154-S157 PolarHBondContact O-N 3.19Å; P154-I158 PolarHBondContact O-N 2.81Å
155M83.8Confident82.9Confident94 Ų9463 Ų6346%0.46331%0.307SS..Hα-helixtrans-47.5-39.7179.9179.758.1115.600113.8L153 S157 I158 Q159 V208L153-M155 PolarHBondContact O-N 2.78Å; M155-S157 PolarHBondContact O-N 2.85Å; M155-I158 PolarHBondContact O-N 3.24Å; M155-Q159 HydrophobicContact CG-CG 4.34Å; M155-Q159 WeakPolarHBondContact O-CB 3.19Å; M155-Q159 WeakPolarHBondContact O-CG 3.23Å; M155-Q159 PolarHBondContact O-N 3.04Å; M155-Q159 HydrophobicContact SD-CG 4.22Å; M155-V208 HydrophobicContact CE-CB 4.21Å; M155-V208 HydrophobicContact CE-CG1 4.24Å; M155-V208 HydrophobicContact CE-CG2 4Å
156H84.2Confident84.6Confident81 Ų8158.2 Ų58.238%0.37529%0.286SS..Hα-helixtrans-62.4-27.7177.262.250.6000113.9P154 L160P154-H156 PolarHBondContact O-N 2.88Å; H156-L160 WeakPolarHBondContact O-CB 3.48Å; H156-L160 PolarHBondContact O-N 2.8Å
157S90.7Very high86.1Confident1 Ų157.3 Ų57.31%0.00729%0.285CS..Hα-helixtrans-76.4-37.3178-60.40000111.1F84 P154 M155 L160 F161F84-S157 WeakPolarHBondContact CE1-O 3.48Å; P154-S157 WeakPolarHBondContact O-CA 3.2Å; P154-S157 VanDerWaalsContact O-CB 3.24Å; P154-S157 WeakPolarHBondContact O-CB 2.97Å; P154-S157 PolarHBondContact O-N 3.19Å; M155-S157 PolarHBondContact O-N 2.85Å; S157-L160 PolarHBondContact O-N 3.04Å; S157-F161 PolarHBondContact O-N 2.94Å
158I90.6Very high87.5Confident14 Ų1455.5 Ų55.57%0.07228%0.276CS..Hα-helixtrans-72.7-39.7174.9-56.4-59.7000110.8F84 L153 P154 M155 L160 F161 V162 C203 F204F84-I158 HydrophobicContact CZ-CD1 4.35Å; L153-I158 HydrophobicContact CB-CD1 3.94Å; L153-I158 HydrophobicContact CB-CG1 4.23Å; L153-I158 HydrophobicContact CD1-CD1 3.88Å; P154-I158 PolarHBondContact O-N 2.81Å; M155-I158 PolarHBondContact O-N 3.24Å; I158-L160 VanDerWaalsContact C-N 3.32Å; I158-L160 PolarHBondContact O-N 3Å; I158-F161 WeakPolarHBondContact O-CB 3.24Å; I158-F161 PolarHBondContact O-N 2.96Å; I158-V162 WeakPolarHBondContact O-CG2 3.38Å; I158-V162 PolarHBondContact O-N 3.18Å; I158-C203 HydrophobicContact CD1-CB 3.92Å; I158-C203 WeakPolarHBondContact CG1-O 3.34Å; I158-F204 HydrophobicContact CG2-CD1 3.75Å; I158-F204 HydrophobicContact CG2-CE1 3.74Å
159Q90.9Very high88.7Confident84 Ų8453.8 Ų53.839%0.39327%0.267SS..Hα-helixtrans-58.2-43.2168.7-72171.2-21.600111.7M155 V162 Y163M155-Q159 HydrophobicContact CG-CG 4.34Å; M155-Q159 WeakPolarHBondContact O-CB 3.19Å; M155-Q159 WeakPolarHBondContact O-CG 3.23Å; M155-Q159 PolarHBondContact O-N 3.04Å; M155-Q159 HydrophobicContact SD-CG 4.22Å; Q159-V162 PolarHBondContact O-N 3.01Å; Q159-Y163 HydrophobicContact CB-CD2 4.45Å; Q159-Y163 HydrophobicContact CB-CE2 4.11Å; Q159-Y163 WeakPolarHBondContact O-CD2 3.26Å; Q159-Y163 VanDerWaalsContact O-CG 3.31Å; Q159-Y163 PolarHBondContact O-N 3.45Å
160L93.3Very high89.8Confident41 Ų4154.5 Ų54.522%0.21527%0.266CS..Hα-helixtrans-64.2-42.3175-174.970.4000112.2P85 V88 H156 S157 I158 V162 Y163 M164P85-L160 HydrophobicContact CB-CD2 3.52Å; V88-L160 HydrophobicContact CG1-CD2 4.47Å; V88-L160 HydrophobicContact CG1-CG 4.15Å; H156-L160 WeakPolarHBondContact O-CB 3.48Å; H156-L160 PolarHBondContact O-N 2.8Å; S157-L160 PolarHBondContact O-N 3.04Å; I158-L160 VanDerWaalsContact C-N 3.32Å; I158-L160 PolarHBondContact O-N 3Å; L160-V162 VanDerWaalsContact C-N 3.33Å; L160-V162 PolarHBondContact O-N 3.08Å; L160-Y163 PolarHBondContact O-N 2.83Å; L160-M164 HydrophobicContact CD1-CG 3.64Å; L160-M164 HydrophobicContact CD1-SD 4.39Å; L160-M164 HydrophobicContact CG-CG 4.02Å; L160-M164 WeakPolarHBondContact O-CB 3.39Å; L160-M164 VanDerWaalsContact O-CG 3.22Å; L160-M164 WeakPolarHBondContact O-CG 3.49Å; L160-M164 PolarHBondContact O-N 3.21Å
161F94.7Very high90.4Very high2 Ų249 Ų491%0.00924%0.241CC..Hα-helixtrans-54.5-51.2172.2177.5-73.5000110.4F84 V88 L118 V122 S157 I158 M164 L165 L189 L193 F204F84-F161 HydrophobicContact CE1-CB 4.22Å; F84-F161 HydrophobicContact CZ-CB 4.34Å; F84-F161 AromaticContact CZ-CD2 3.94Å; F84-F161 HydrophobicContact CZ-CD2 3.94Å; V88-F161 HydrophobicContact CG2-CB 4.25Å; V88-F161 HydrophobicContact CG2-CD2 4.19Å; L118-F161 HydrophobicContact CD1-CD2 4.12Å; L118-F161 HydrophobicContact CD1-CE2 4.05Å; L118-F161 HydrophobicContact CD2-CE2 4.02Å; L118-F161 HydrophobicContact CG-CE2 4.23Å; V122-F161 HydrophobicContact CG2-CE2 4.35Å; S157-F161 PolarHBondContact O-N 2.94Å; I158-F161 WeakPolarHBondContact O-CB 3.24Å; I158-F161 PolarHBondContact O-N 2.96Å; F161-M164 PolarHBondContact O-N 3.1Å; F161-L165 HydrophobicContact CD1-CD1 4.38Å; F161-L165 HydrophobicContact CD2-CD1 3.57Å; F161-L165 HydrophobicContact CE1-CD1 4.38Å; F161-L165 HydrophobicContact CE2-CD1 3.6Å; F161-L165 HydrophobicContact CG-CD1 3.97Å; F161-L165 HydrophobicContact CZ-CD1 4Å; F161-L165 WeakPolarHBondContact O-CB 3.47Å; F161-L165 PolarHBondContact O-N 2.96Å; F161-L189 HydrophobicContact CZ-CD1 4.34Å; F161-L189 HydrophobicContact CZ-CD2 4.23Å; F161-L193 HydrophobicContact CE1-CD1 3.94Å; F161-L193 HydrophobicContact CZ-CD1 4.17Å; F161-F204 AromaticContact CD1-CE1 3.75Å; F161-F204 HydrophobicContact CD1-CE1 3.75Å; F161-F204 AromaticContact CD1-CZ 3.62Å; F161-F204 HydrophobicContact CD1-CZ 3.62Å; F161-F204 HydrophobicContact CD2-CZ 4.25Å; F161-F204 AromaticContact CE1-CE1 3.91Å; F161-F204 HydrophobicContact CE1-CE1 3.91Å; F161-F204 AromaticContact CE1-CZ 3.55Å; F161-F204 HydrophobicContact CE1-CZ 3.55Å; F161-F204 HydrophobicContact CE2-CZ 4.16Å; F161-F204 HydrophobicContact CG-CE1 4.39Å; F161-F204 HydrophobicContact CG-CZ 4.02Å; F161-F204 AromaticContact CZ-CZ 3.83Å; F161-F204 HydrophobicContact CZ-CZ 3.83Å
162V92.5Very high90.8Very high58 Ų5848 Ų4835%0.35224%0.237SC..Hα-helixtrans-60.5-51.3-178.91690000111.1I158 Q159 L160 M164 I166I158-V162 WeakPolarHBondContact O-CG2 3.38Å; I158-V162 PolarHBondContact O-N 3.18Å; Q159-V162 PolarHBondContact O-N 3.01Å; L160-V162 VanDerWaalsContact C-N 3.33Å; L160-V162 PolarHBondContact O-N 3.08Å; V162-M164 PolarHBondContact O-N 3Å; V162-I166 HydrophobicContact CB-CG1 4.46Å; V162-I166 HydrophobicContact CG1-CG1 4.22Å; V162-I166 VanDerWaalsContact O-CB 3.3Å; V162-I166 WeakPolarHBondContact O-CB 3.36Å; V162-I166 VanDerWaalsContact O-CG1 3.26Å; V162-I166 WeakPolarHBondContact O-CG1 3.44Å; V162-I166 PolarHBondContact O-N 2.71Å
163Y93.9Very high91Very high146 Ų14649.9 Ų49.957%0.57325%0.248SC*.Hα-helixtrans-69.9-28.9-177.5-62-40.1000114.1Q159 L160 P167Q159-Y163 HydrophobicContact CB-CD2 4.45Å; Q159-Y163 HydrophobicContact CB-CE2 4.11Å; Q159-Y163 WeakPolarHBondContact O-CD2 3.26Å; Q159-Y163 VanDerWaalsContact O-CG 3.31Å; Q159-Y163 PolarHBondContact O-N 3.45Å; L160-Y163 PolarHBondContact O-N 2.83Å; Y163-P167 WeakPolarHBondContact O-CG 3.23Å
164M94.3Very high91.2Very high64 Ų6454.5 Ų54.532%0.31527%0.268SS..Hα-helixtrans-91-30-177.4-67.6-62.2-47.600114.1V88 A92 L160 F161 V162 L168V88-M164 HydrophobicContact CG1-CB 3.81Å; V88-M164 HydrophobicContact CG1-CG 4.18Å; A92-M164 HydrophobicContact CB-CB 3.96Å; A92-M164 HydrophobicContact CB-CE 3.6Å; L160-M164 HydrophobicContact CD1-CG 3.64Å; L160-M164 HydrophobicContact CD1-SD 4.39Å; L160-M164 HydrophobicContact CG-CG 4.02Å; L160-M164 WeakPolarHBondContact O-CB 3.39Å; L160-M164 VanDerWaalsContact O-CG 3.22Å; L160-M164 WeakPolarHBondContact O-CG 3.49Å; L160-M164 PolarHBondContact O-N 3.21Å; F161-M164 PolarHBondContact O-N 3.1Å; V162-M164 PolarHBondContact O-N 3Å; M164-L168 WeakPolarHBondContact O-CD1 3.45Å
165L94.4Very high91.4Very high2 Ų254.6 Ų54.61%0.0127%0.273CS..Hα-helixtrans-109.8-32.7-170.6-60.6173.5000114.1V88 C91 A92 L95 L118 F161 L168 I169V88-L165 HydrophobicContact CG1-CD1 4.31Å; V88-L165 HydrophobicContact CG1-CG 4.33Å; C91-L165 HydrophobicContact CB-CD2 3.94Å; A92-L165 HydrophobicContact CB-CD2 3.86Å; L95-L165 HydrophobicContact CD1-CD2 3.86Å; L118-L165 HydrophobicContact CD2-CD1 3.7Å; F161-L165 HydrophobicContact CD1-CD1 4.38Å; F161-L165 HydrophobicContact CD2-CD1 3.57Å; F161-L165 HydrophobicContact CE1-CD1 4.38Å; F161-L165 HydrophobicContact CE2-CD1 3.6Å; F161-L165 HydrophobicContact CG-CD1 3.97Å; F161-L165 HydrophobicContact CZ-CD1 4Å; F161-L165 WeakPolarHBondContact O-CB 3.47Å; F161-L165 PolarHBondContact O-N 2.96Å; L165-L168 CarbonylContact O-C 3.54Å; L165-L168 WeakPolarHBondContact O-CA 3.41Å; L165-L168 PolarHBondContact O-N 3.36Å; L165-I169 PolarHBondContact O-N 3.12Å; L165-I169 VanDerWaalsContact O-N 3.12Å
166I92.2Very high91.8Very high56 Ų5651.2 Ų51.229%0.28726%0.257SS..G310 helixtrans-63.3-38.8179.4-54.9-60000112.4V162 L168 I169 L193V162-I166 HydrophobicContact CB-CG1 4.46Å; V162-I166 HydrophobicContact CG1-CG1 4.22Å; V162-I166 VanDerWaalsContact O-CB 3.3Å; V162-I166 WeakPolarHBondContact O-CB 3.36Å; V162-I166 VanDerWaalsContact O-CG1 3.26Å; V162-I166 WeakPolarHBondContact O-CG1 3.44Å; V162-I166 PolarHBondContact O-N 2.71Å; I166-L168 PolarHBondContact O-N 2.77Å; I166-I169 WeakPolarHBondContact O-CB 3.46Å; I166-I169 VanDerWaalsContact O-CG2 3.31Å; I166-I169 WeakPolarHBondContact O-CG2 3.39Å; I166-I169 PolarHBondContact O-N 3.39Å; I166-L193 HydrophobicContact CD1-CB 4.35Å; I166-L193 HydrophobicContact CD1-CD1 3.9Å; I166-L193 HydrophobicContact CD1-CD2 3.7Å; I166-L193 HydrophobicContact CD1-CG 4.19Å
167P92.9Very high92.2Very high76 Ų7647.3 Ų47.349%0.49424%0.239SC..G310 helixtrans-63.9-7.3172-23.636.1000115.3Y163 Y170Y163-P167 WeakPolarHBondContact O-CG 3.23Å; P167-Y170 WeakPolarHBondContact O-CE1 3.28Å; P167-Y170 PolarHBondContact O-OH 2.93Å
168L93.5Very high92.3Very high17 Ų1749.8 Ų49.89%0.08926%0.26CS..G310 helixtrans-121.37.1-178-58.7175.1000112.6A92 L95 S96 L99 M164 L165 I166 Y170 C171A92-L168 HydrophobicContact CB-CD1 4.09Å; A92-L168 VanDerWaalsContact O-CD1 3.3Å; A92-L168 WeakPolarHBondContact O-CD1 3.4Å; L95-L168 HydrophobicContact CB-CB 4.07Å; L95-L168 HydrophobicContact CB-CD1 3.91Å; L95-L168 HydrophobicContact CD1-CB 4.34Å; S96-L168 WeakPolarHBondContact OG-CD1 3.4Å; L99-L168 HydrophobicContact CD2-CD2 4.07Å; M164-L168 WeakPolarHBondContact O-CD1 3.45Å; L165-L168 CarbonylContact O-C 3.54Å; L165-L168 WeakPolarHBondContact O-CA 3.41Å; L165-L168 PolarHBondContact O-N 3.36Å; I166-L168 PolarHBondContact O-N 2.77Å; L168-Y170 VanDerWaalsContact C-N 3.28Å; L168-Y170 PolarHBondContact O-N 3.17Å; L168-C171 WeakPolarHBondContact O-CB 3.49Å; L168-C171 PolarHBondContact O-N 2.89Å; L168-C171 PolarHBondContact O-SG 3.13Å
169I92.1Very high92.3Very high13 Ų1355.2 Ų55.27%0.06729%0.285CS..G310 helixtrans-59.4-34.7-169.6-164.8-171.3000114.2L165 I166 C171 V172 W190 L193 W194L165-I169 PolarHBondContact O-N 3.12Å; L165-I169 VanDerWaalsContact O-N 3.12Å; I166-I169 WeakPolarHBondContact O-CB 3.46Å; I166-I169 VanDerWaalsContact O-CG2 3.31Å; I166-I169 WeakPolarHBondContact O-CG2 3.39Å; I166-I169 PolarHBondContact O-N 3.39Å; I169-C171 PolarHBondContact O-N 3.26Å; I169-V172 PolarHBondContact O-N 3.4Å; I169-W190 HydrophobicContact CG1-CE3 4Å; I169-W190 HydrophobicContact CG1-CZ3 3.95Å; I169-L193 HydrophobicContact CD1-CB 3.42Å; I169-L193 VanDerWaalsContact CD1-CB 3.42Å; I169-L193 VanDerWaalsContact CD1-O 3.3Å; I169-L193 WeakPolarHBondContact CD1-O 3.49Å; I169-L193 HydrophobicContact CG1-CB 4.45Å; I169-W194 HydrophobicContact CD1-CG 4.16Å; I169-W194 PolarHBondContact O-NE1 3.45Å
170Y89.9Confident92.3Very high134 Ų13452.4 Ų52.453%0.52527%0.273SS..G310 helixtrans-73.6-5.3176.753.8-89.4000113.1L99 P167 L168 V172L99-Y170 HydrophobicContact CD1-CE2 3.83Å; L99-Y170 HydrophobicContact CD2-CE2 4.36Å; P167-Y170 WeakPolarHBondContact O-CE1 3.28Å; P167-Y170 PolarHBondContact O-OH 2.93Å; L168-Y170 VanDerWaalsContact C-N 3.28Å; L168-Y170 PolarHBondContact O-N 3.17Å; Y170-V172 PolarHBondContact O-N 2.94Å
171C91.5Very high92.3Very high11 Ų1157.5 Ų57.57%0.07430%0.299CS..G310 helixtrans-80.23.4169.7-55.90000112.3L95 R98 L168 I169L95-C171 HydrophobicContact CB-CB 4.32Å; L95-C171 HydrophobicContact CD2-CB 3.94Å; R98-C171 WeakPolarHBondContact CD-O 3.04Å; R98-C171 PolarHBondContact NH1-O 2.89Å; L168-C171 WeakPolarHBondContact O-CB 3.49Å; L168-C171 PolarHBondContact O-N 2.89Å; L168-C171 PolarHBondContact O-SG 3.13Å; I169-C171 PolarHBondContact O-N 3.26Å
172V92.4Very high92.2Very high2 Ų262.5 Ų62.51%0.01232%0.317CS..SBendtrans-126.7134.4169.8-174.30000108.1L95 L115 I169 Y170 D176 I177 W190 W194L95-V172 HydrophobicContact CD2-CG2 3.49Å; L95-V172 VanDerWaalsContact CD2-CG2 3.49Å; L115-V172 HydrophobicContact CD1-CG2 4.19Å; I169-V172 PolarHBondContact O-N 3.4Å; Y170-V172 PolarHBondContact O-N 2.94Å; V172-D176 HydrophobicContact CG1-CB 4.36Å; V172-I177 HydrophobicContact CG1-CD1 3.64Å; V172-I177 HydrophobicContact CG1-CG1 3.63Å; V172-W190 HydrophobicContact CB-CE3 4.46Å; V172-W190 HydrophobicContact CB-CH2 4.36Å; V172-W190 HydrophobicContact CB-CZ2 4.46Å; V172-W190 HydrophobicContact CB-CZ3 4.34Å; V172-W190 HydrophobicContact CG1-CD2 4.34Å; V172-W190 HydrophobicContact CG1-CZ2 4.39Å; V172-W190 HydrophobicContact CG2-CH2 3.73Å; V172-W190 HydrophobicContact CG2-CZ2 3.91Å; V172-W190 HydrophobicContact CG2-CZ3 4.13Å; V172-W194 HydrophobicContact CB-CZ2 4.22Å; V172-W194 HydrophobicContact CG1-CZ2 4.01Å; V172-W194 VanDerWaalsContact O-CZ2 3.27Å; V172-W194 WeakPolarHBondContact O-CZ2 3.37Å; V172-W194 PolarHBondContact O-NE1 2.96Å
173N90.3Very high92.3Very high88 Ų8859.8 Ų59.847%0.47130%0.301SS..  trans-107.7157.8176.5-56.3-89000110.9A175 D176 I177N173-A175 PolarHBondContact O-N 2.65Å; N173-D176 WeakPolarHBondContact CB-OD2 3.45Å; N173-D176 PolarHBondContact N-OD2 3.06Å; N173-D176 VanDerWaalsContact N-OD2 3.08Å; N173-D176 PolarHBondContact ND2-OD2 3.31Å; N173-D176 WeakPolarHBondContact O-CB 3.42Å; N173-D176 PolarHBondContact O-N 3.34Å; N173-I177 PolarHBondContact O-N 3.26Å
174Q92Very high92.3Very high111 Ų11158.1 Ų58.152%0.51930%0.298SS..Hα-helixtrans-53.9-40.5175.3-157.6-177.219.400112.1I177 A178 L187 E191 W194Q174-I177 PolarHBondContact O-N 2.71Å; Q174-A178 VanDerWaalsContact O-CB 3.32Å; Q174-A178 WeakPolarHBondContact O-CB 3.37Å; Q174-A178 PolarHBondContact O-N 2.87Å; Q174-L187 HydrophobicContact CG-CD1 3.97Å; Q174-E191 PolarHBondContact NE2-OE1 3.08Å; Q174-W194 VanDerWaalsContact CA-CH2 3.48Å; Q174-W194 HydrophobicContact CB-CH2 4.2Å; Q174-W194 HydrophobicContact CB-CZ3 3.96Å; Q174-W194 HydrophobicContact CG-CZ3 4.03Å
175A90.5Very high92Very high51 Ų5158 Ų5842%0.42131%0.314SS..Hα-helixtrans-67.8-32.1176.500000114.2N173 I177 E179N173-A175 PolarHBondContact O-N 2.65Å; A175-I177 PolarHBondContact O-N 3.4Å; A175-E179 VanDerWaalsContact O-CB 3.28Å; A175-E179 WeakPolarHBondContact O-CB 3.36Å; A175-E179 WeakPolarHBondContact O-CG 3.27Å; A175-E179 PolarHBondContact O-N 3.48Å
176D91.3Very high92Very high23 Ų2358 Ų5812%0.12331%0.314CS..Hα-helixtrans-62.6-27.4176.2-78-58.8000112.1R98 L107 V172 N173R98-D176 IonicContact CZ-OD1 3.66Å; R98-D176 IonicContact CZ-OD2 3.38Å; R98-D176 IonicContact NH1-OD1 3.24Å; R98-D176 IonicContact NH1-OD2 2.7Å; R98-D176 PolarHBondContact NH1-OD2 3.31Å; R98-D176 VanDerWaalsContact NH2-CG 3.3Å; R98-D176 IonicContact NH2-OD1 2.81Å; R98-D176 PolarHBondContact NH2-OD1 3.07Å; R98-D176 IonicContact NH2-OD2 3.06Å; R98-D176 PolarHBondContact NH2-OD2 3.39Å; L107-D176 HydrophobicContact CD1-CB 3.89Å; L107-D176 WeakPolarHBondContact CD1-O 3.5Å; L107-D176 HydrophobicContact CD2-CB 4.1Å; L107-D176 HydrophobicContact CG-CB 3.75Å; L107-D176 PolarHBondContact N-OD1 3.37Å; V172-D176 HydrophobicContact CG1-CB 4.36Å; N173-D176 WeakPolarHBondContact CB-OD2 3.45Å; N173-D176 PolarHBondContact N-OD2 3.06Å; N173-D176 VanDerWaalsContact N-OD2 3.08Å; N173-D176 PolarHBondContact ND2-OD2 3.31Å; N173-D176 WeakPolarHBondContact O-CB 3.42Å; N173-D176 PolarHBondContact O-N 3.34Å
177I93.2Very high92Very high0 Ų057 Ų570%031%0.309CS..Hα-helixtrans-93.8-52.9179.8-57.7-57.2000110.5L115 V172 N173 Q174 A175 E179 N180 L183 L187 W190 W194L115-I177 HydrophobicContact CD1-CD1 4.27Å; V172-I177 HydrophobicContact CG1-CD1 3.64Å; V172-I177 HydrophobicContact CG1-CG1 3.63Å; N173-I177 PolarHBondContact O-N 3.26Å; Q174-I177 PolarHBondContact O-N 2.71Å; A175-I177 PolarHBondContact O-N 3.4Å; I177-E179 PolarHBondContact O-N 3.47Å; I177-N180 CarbonylContact O-C 3.53Å; I177-N180 PolarHBondContact O-N 3.28Å; I177-N180 VanDerWaalsContact O-O 3.09Å; I177-L183 HydrophobicContact CD1-CB 4.03Å; I177-L183 HydrophobicContact CD1-CD1 3.85Å; I177-L183 HydrophobicContact CG2-CB 4.06Å; I177-L183 VanDerWaalsContact CG2-O 3.29Å; I177-L183 WeakPolarHBondContact CG2-O 3.31Å; I177-L187 HydrophobicContact CB-CD1 4.27Å; I177-L187 HydrophobicContact CG2-CB 4Å; I177-L187 HydrophobicContact CG2-CD1 3.96Å; I177-W190 HydrophobicContact CG1-CG 4.4Å; I177-W194 HydrophobicContact CG1-CH2 4.33Å
178A91.8Very high92Very high53 Ų5356.5 Ų56.544%0.43831%0.307SS..Hα-helixtrans-70.6-26.9-174.500000114.5Q174 N180Q174-A178 VanDerWaalsContact O-CB 3.32Å; Q174-A178 WeakPolarHBondContact O-CB 3.37Å; Q174-A178 PolarHBondContact O-N 2.87Å; A178-N180 PolarHBondContact O-N 2.86Å
179E89.9Confident92.1Very high127 Ų12755.7 Ų55.759%0.59330%0.303SS*.THydrogen-bonded Turntrans-75.1-7.8170.3-69.4-173.3-161.200112.8R106 A175 I177R106-E179 IonicContact CZ-OE2 3.51Å; R106-E179 IonicContact NE-OE2 2.83Å; R106-E179 IonicContact NH2-OE2 2.73Å; R106-E179 PolarHBondContact NH2-OE2 3.38Å; A175-E179 VanDerWaalsContact O-CB 3.28Å; A175-E179 WeakPolarHBondContact O-CB 3.36Å; A175-E179 WeakPolarHBondContact O-CG 3.27Å; A175-E179 PolarHBondContact O-N 3.48Å; I177-E179 PolarHBondContact O-N 3.47Å
180N91.7Very high92.2Very high26 Ų2655.3 Ų55.314%0.13930%0.301CS..  trans-117100.5-173.2-165.4-18.7000111.3Q112 I177 A178 R182 L183 E184Q112-N180 PolarHBondContact OE1-ND2 2.71Å; Q112-N180 VanDerWaalsContact OE1-ND2 3.1Å; I177-N180 CarbonylContact O-C 3.53Å; I177-N180 PolarHBondContact O-N 3.28Å; I177-N180 VanDerWaalsContact O-O 3.09Å; A178-N180 PolarHBondContact O-N 2.86Å; N180-R182 PolarHBondContact O-N 3.12Å; N180-R182 WeakPolarHBondContact OD1-CB 3.43Å; N180-R182 PolarHBondContact OD1-N 3.07Å; N180-L183 HydrophobicContact CB-CB 4.28Å; N180-L183 HydrophobicContact CB-CD1 4.18Å; N180-L183 HydrophobicContact CB-CG 4.2Å; N180-L183 PolarHBondContact O-N 2.92Å; N180-E184 PolarHBondContact O-N 3.04Å; N180-E184 VanDerWaalsContact O-N 3.08Å
181I92.7Very high92.4Very high148 Ų14852.1 Ų52.176%0.75929%0.291SS*.THydrogen-bonded Turntrans-50.4-25.5178.4-58.2165000112.7
182R92.9Very high92.4Very high107 Ų10752.3 Ų52.340%0.40429%0.293SS..THydrogen-bonded Turntrans-75.8-23.2175.4-63.4-163.764.9170.33.7114.5E52 Y116 N180E52-R182 IonicContact OE1-CZ 3.84Å; E52-R182 VanDerWaalsContact OE1-CZ 3.24Å; E52-R182 IonicContact OE1-NH1 3.72Å; E52-R182 PolarHBondContact OE1-NH1 3.02Å; E52-R182 IonicContact OE1-NH2 2.74Å; E52-R182 PolarHBondContact OE1-NH2 3.43Å; Y116-R182 HydrophobicContact CD2-CB 4.41Å; Y116-R182 WeakPolarHBondContact CD2-O 3.47Å; N180-R182 PolarHBondContact O-N 3.12Å; N180-R182 WeakPolarHBondContact OD1-CB 3.43Å; N180-R182 PolarHBondContact OD1-N 3.07Å
183L95.4Very high92.4Very high0 Ų053 Ų530%030%0.297CS..THydrogen-bonded Turntrans-110.1-13.6-173.8-56.7-179000112.6L107 L115 I177 N180 G185 G186L107-L183 HydrophobicContact CD1-CD1 3.54Å; L115-L183 HydrophobicContact CB-CD1 4.48Å; L115-L183 HydrophobicContact CB-CD2 3.89Å; I177-L183 HydrophobicContact CD1-CB 4.03Å; I177-L183 HydrophobicContact CD1-CD1 3.85Å; I177-L183 HydrophobicContact CG2-CB 4.06Å; I177-L183 VanDerWaalsContact CG2-O 3.29Å; I177-L183 WeakPolarHBondContact CG2-O 3.31Å; N180-L183 HydrophobicContact CB-CB 4.28Å; N180-L183 HydrophobicContact CB-CD1 4.18Å; N180-L183 HydrophobicContact CB-CG 4.2Å; N180-L183 PolarHBondContact O-N 2.92Å; L183-G185 VanDerWaalsContact C-N 3.29Å; L183-G185 PolarHBondContact O-N 2.89Å; L183-G186 WeakPolarHBondContact O-CA 3.29Å; L183-G186 PolarHBondContact O-N 2.94Å
184E92.7Very high92.6Very high112 Ų11251.6 Ų51.652%0.52329%0.285SS..G310 helixtrans-47.8-44.7-178.9-172.8176.5178.900113.4N180 G186 L187N180-E184 PolarHBondContact O-N 3.04Å; N180-E184 VanDerWaalsContact O-N 3.08Å; E184-G186 PolarHBondContact O-N 3.39Å; E184-L187 WeakPolarHBondContact O-CB 3.45Å; E184-L187 PolarHBondContact O-N 2.91Å
185G89.5Confident92.6Very high62 Ų6251.4 Ų51.464%0.63929%0.287SS*.G310 helixtrans-62.3-23.1177.100000114.5L183L183-G185 VanDerWaalsContact C-N 3.29Å; L183-G185 PolarHBondContact O-N 2.89Å
186G92.9Very high92.5Very high2 Ų259.1 Ų59.12%0.02131%0.307CS..G310 helixtrans-89.36.9174.800000114.8L183 E184 L189 W190L183-G186 WeakPolarHBondContact O-CA 3.29Å; L183-G186 PolarHBondContact O-N 2.94Å; E184-G186 PolarHBondContact O-N 3.39Å; G186-L189 PolarHBondContact O-N 3.26Å; G186-W190 PolarHBondContact O-N 2.73Å
187L92.9Very high92.4Very high34 Ų3464 Ų6418%0.17833%0.329CS..Hα-helixtrans-64.1-41.8-179.4-177.761.8000112.3Q174 I177 E184 L189 W190 E191 W194Q174-L187 HydrophobicContact CG-CD1 3.97Å; I177-L187 HydrophobicContact CB-CD1 4.27Å; I177-L187 HydrophobicContact CG2-CB 4Å; I177-L187 HydrophobicContact CG2-CD1 3.96Å; E184-L187 WeakPolarHBondContact O-CB 3.45Å; E184-L187 PolarHBondContact O-N 2.91Å; L187-L189 VanDerWaalsContact C-N 3.31Å; L187-L189 PolarHBondContact O-N 3.29Å; L187-W190 PolarHBondContact O-N 3.07Å; L187-W190 VanDerWaalsContact O-N 3.09Å; L187-E191 HydrophobicContact CD1-CG 4Å; L187-E191 HydrophobicContact CG-CG 4.11Å; L187-E191 WeakPolarHBondContact CG-OE1 3.46Å; L187-E191 WeakPolarHBondContact O-CG 3.5Å; L187-E191 PolarHBondContact O-N 3.36Å; L187-W194 HydrophobicContact CD1-CZ3 4.19Å
188S93Very high92Very high65 Ų6570.6 Ų70.646%0.45536%0.36SS..Hα-helixtrans-59.2-38.817953.60000113.1F123 A192F123-S188 WeakPolarHBondContact CZ-OG 3.48Å; S188-A192 PolarHBondContact O-N 3.33Å
189L94.5Very high91.9Very high1 Ų168.3 Ų68.31%0.00534%0.34CS..Hα-helixtrans-59.9-50.5172.7173.365.4000110.8V122 F123 F161 G186 L187 L193 P199 F204V122-L189 HydrophobicContact CG1-CD2 4.13Å; F123-L189 HydrophobicContact CE2-CB 3.86Å; F123-L189 HydrophobicContact CE2-CD2 4.33Å; F123-L189 HydrophobicContact CZ-CB 3.8Å; F161-L189 HydrophobicContact CZ-CD1 4.34Å; F161-L189 HydrophobicContact CZ-CD2 4.23Å; G186-L189 PolarHBondContact O-N 3.26Å; L187-L189 VanDerWaalsContact C-N 3.31Å; L187-L189 PolarHBondContact O-N 3.29Å; L189-L193 HydrophobicContact CD1-CD1 3.88Å; L189-L193 HydrophobicContact CD1-CG 4.39Å; L189-L193 HydrophobicContact CG-CD1 4.16Å; L189-L193 WeakPolarHBondContact O-CG 3.34Å; L189-L193 PolarHBondContact O-N 3.41Å; L189-P199 HydrophobicContact CD1-CB 3.77Å; L189-P199 HydrophobicContact CD1-CG 3.61Å; L189-F204 HydrophobicContact CD1-CE2 3.94Å; L189-F204 HydrophobicContact CD1-CZ 4.35Å
190W94.9Very high91.7Very high5 Ų569.7 Ų69.72%0.01935%0.352CS..Hα-helixtrans-67.7-38.4-179.8-69.4114.2000112.6L115 H119 I169 V172 I177 G186 L187 L193 W194L115-W190 HydrophobicContact CD1-CZ2 4.16Å; L115-W190 HydrophobicContact CD2-CZ2 3.9Å; H119-W190 AromaticContact CE1-CD1 3.99Å; H119-W190 AromaticContact CE1-NE1 3.45Å; H119-W190 PolarHBondContact CE1-NE1 2.75Å; H119-W190 AromaticContact NE2-CD1 3.56Å; H119-W190 AromaticContact NE2-CE2 3.98Å; H119-W190 AromaticContact NE2-NE1 3.03Å; H119-W190 PolarHBondContact NE2-NE1 3.32Å; I169-W190 HydrophobicContact CG1-CE3 4Å; I169-W190 HydrophobicContact CG1-CZ3 3.95Å; V172-W190 HydrophobicContact CB-CE3 4.46Å; V172-W190 HydrophobicContact CB-CH2 4.36Å; V172-W190 HydrophobicContact CB-CZ2 4.46Å; V172-W190 HydrophobicContact CB-CZ3 4.34Å; V172-W190 HydrophobicContact CG1-CD2 4.34Å; V172-W190 HydrophobicContact CG1-CZ2 4.39Å; V172-W190 HydrophobicContact CG2-CH2 3.73Å; V172-W190 HydrophobicContact CG2-CZ2 3.91Å; V172-W190 HydrophobicContact CG2-CZ3 4.13Å; I177-W190 HydrophobicContact CG1-CG 4.4Å; G186-W190 PolarHBondContact O-N 2.73Å; L187-W190 PolarHBondContact O-N 3.07Å; L187-W190 VanDerWaalsContact O-N 3.09Å; W190-L193 PolarHBondContact O-N 3.27Å; W190-W194 HydrophobicContact CB-CD2 4.16Å; W190-W194 HydrophobicContact CB-CE3 3.93Å; W190-W194 HydrophobicContact CB-CH2 3.45Å; W190-W194 VanDerWaalsContact CB-CH2 3.45Å; W190-W194 HydrophobicContact CB-CZ2 3.74Å; W190-W194 HydrophobicContact CB-CZ3 3.57Å; W190-W194 HydrophobicContact CD2-CZ2 4.42Å; W190-W194 HydrophobicContact CE3-CZ2 4.47Å; W190-W194 HydrophobicContact CG-CH2 4.09Å; W190-W194 HydrophobicContact CG-CZ2 4.16Å; W190-W194 WeakPolarHBondContact O-CB 3.46Å; W190-W194 VanDerWaalsContact O-CD2 3.24Å; W190-W194 VanDerWaalsContact O-CG 3.29Å; W190-W194 PolarHBondContact O-N 2.77Å
191E93.9Very high91.5Very high66 Ų6669.2 Ų69.231%0.30835%0.35SS..Hα-helixtrans-65.9-41.2179-73.7-177.8168.700112.6Q174 L187 W194 N195Q174-E191 PolarHBondContact NE2-OE1 3.08Å; L187-E191 HydrophobicContact CD1-CG 4Å; L187-E191 HydrophobicContact CG-CG 4.11Å; L187-E191 WeakPolarHBondContact CG-OE1 3.46Å; L187-E191 WeakPolarHBondContact O-CG 3.5Å; L187-E191 PolarHBondContact O-N 3.36Å; E191-W194 HydrophobicContact CG-CE3 4.07Å; E191-W194 HydrophobicContact CG-CZ3 4.07Å; E191-N195 PolarHBondContact O-N 2.84Å; E191-N195 PolarHBondContact O-ND2 3.22Å
192A92.5Very high91Very high15 Ų1566.8 Ų66.812%0.12434%0.338CS..Hα-helixtrans-59.9-49.2171.400000111S188 W194 N195 Y196 Q197 P199S188-A192 PolarHBondContact O-N 3.33Å; A192-W194 PolarHBondContact O-N 3.01Å; A192-N195 CarbonylContact O-C 3.41Å; A192-N195 PolarHBondContact O-N 3.2Å; A192-Y196 PolarHBondContact O-N 3.18Å; A192-Q197 CarbonylContact C-O 3.54Å; A192-Q197 PolarHBondContact O-N 3.08Å; A192-P199 HydrophobicContact CB-CB 4.24Å; A192-P199 HydrophobicContact CB-CG 4.25Å
193L92.4Very high90.6Very high18 Ų1862.7 Ų62.79%0.09433%0.325CS..Hα-helixtrans-66.9-38.2-177.2-64.2176.5000113F161 I166 I169 L189 W190 N195 Y196 P199F161-L193 HydrophobicContact CE1-CD1 3.94Å; F161-L193 HydrophobicContact CZ-CD1 4.17Å; I166-L193 HydrophobicContact CD1-CB 4.35Å; I166-L193 HydrophobicContact CD1-CD1 3.9Å; I166-L193 HydrophobicContact CD1-CD2 3.7Å; I166-L193 HydrophobicContact CD1-CG 4.19Å; I169-L193 HydrophobicContact CD1-CB 3.42Å; I169-L193 VanDerWaalsContact CD1-CB 3.42Å; I169-L193 VanDerWaalsContact CD1-O 3.3Å; I169-L193 WeakPolarHBondContact CD1-O 3.49Å; I169-L193 HydrophobicContact CG1-CB 4.45Å; L189-L193 HydrophobicContact CD1-CD1 3.88Å; L189-L193 HydrophobicContact CD1-CG 4.39Å; L189-L193 HydrophobicContact CG-CD1 4.16Å; L189-L193 WeakPolarHBondContact O-CG 3.34Å; L189-L193 PolarHBondContact O-N 3.41Å; W190-L193 PolarHBondContact O-N 3.27Å; L193-N195 PolarHBondContact O-N 3.18Å; L193-Y196 PolarHBondContact O-N 3.21Å; L193-P199 HydrophobicContact CD2-CG 3.62Å; L193-P199 HydrophobicContact CG-CG 3.9Å
194W93.6Very high90.1Very high58 Ų5864.2 Ų64.222%0.2233%0.332CS..Hα-helixtrans-65.7-28.7175.8-72.6-42.9000112.1I169 V172 Q174 I177 L187 W190 E191 A192 Y196I169-W194 HydrophobicContact CD1-CG 4.16Å; I169-W194 PolarHBondContact O-NE1 3.45Å; V172-W194 HydrophobicContact CB-CZ2 4.22Å; V172-W194 HydrophobicContact CG1-CZ2 4.01Å; V172-W194 VanDerWaalsContact O-CZ2 3.27Å; V172-W194 WeakPolarHBondContact O-CZ2 3.37Å; V172-W194 PolarHBondContact O-NE1 2.96Å; Q174-W194 VanDerWaalsContact CA-CH2 3.48Å; Q174-W194 HydrophobicContact CB-CH2 4.2Å; Q174-W194 HydrophobicContact CB-CZ3 3.96Å; Q174-W194 HydrophobicContact CG-CZ3 4.03Å; I177-W194 HydrophobicContact CG1-CH2 4.33Å; L187-W194 HydrophobicContact CD1-CZ3 4.19Å; W190-W194 HydrophobicContact CB-CD2 4.16Å; W190-W194 HydrophobicContact CB-CE3 3.93Å; W190-W194 HydrophobicContact CB-CH2 3.45Å; W190-W194 VanDerWaalsContact CB-CH2 3.45Å; W190-W194 HydrophobicContact CB-CZ2 3.74Å; W190-W194 HydrophobicContact CB-CZ3 3.57Å; W190-W194 HydrophobicContact CD2-CZ2 4.42Å; W190-W194 HydrophobicContact CE3-CZ2 4.47Å; W190-W194 HydrophobicContact CG-CH2 4.09Å; W190-W194 HydrophobicContact CG-CZ2 4.16Å; W190-W194 WeakPolarHBondContact O-CB 3.46Å; W190-W194 VanDerWaalsContact O-CD2 3.24Å; W190-W194 VanDerWaalsContact O-CG 3.29Å; W190-W194 PolarHBondContact O-N 2.77Å; E191-W194 HydrophobicContact CG-CE3 4.07Å; E191-W194 HydrophobicContact CG-CZ3 4.07Å; A192-W194 PolarHBondContact O-N 3.01Å; W194-Y196 VanDerWaalsContact C-N 3.3Å
195N92.4Very high89.6Confident106 Ų10661 Ų6157%0.56733%0.325SS*.THydrogen-bonded Turntrans-87.46.8173.8-71.8-68.8000113.4E191 A192 L193 Q197E191-N195 PolarHBondContact O-N 2.84Å; E191-N195 PolarHBondContact O-ND2 3.22Å; A192-N195 CarbonylContact O-C 3.41Å; A192-N195 PolarHBondContact O-N 3.2Å; L193-N195 PolarHBondContact O-N 3.18Å; N195-Q197 HydrophobicContact CB-CG 4.21Å; N195-Q197 PolarHBondContact O-N 2.98Å
196Y88.4Confident89Confident213 Ų21359.5 Ų59.584%0.83530%0.304SS*.THydrogen-bonded Turntrans58.728.9-175.4-50.5-87.7000113.9A192 L193 W194A192-Y196 PolarHBondContact O-N 3.18Å; L193-Y196 PolarHBondContact O-N 3.21Å; W194-Y196 VanDerWaalsContact C-N 3.3Å
197Q88.5Confident87.9Confident127 Ų12764.1 Ų64.159%0.59333%0.334SS*.PPolyproline II helixtrans-101.5157.7178.3-65.4179.1-3.200111.3A192 N195A192-Q197 CarbonylContact C-O 3.54Å; A192-Q197 PolarHBondContact O-N 3.08Å; N195-Q197 HydrophobicContact CB-CG 4.21Å; N195-Q197 PolarHBondContact O-N 2.98Å
198Q85Confident86.6Confident138 Ų13866.7 Ų66.765%0.64535%0.351SS*.PPolyproline II helixtrans-68129.5170.2-175.2178-6900109.4D200 F204Q198-D200 PolarHBondContact O-N 3Å; Q198-F204 HydrophobicContact CG-CB 4.42Å
199P90.4Very high85Confident4 Ų470 Ų703%0.02636%0.357CS..PPolyproline II helixtrans-62.9133.8171.9-2234.1000111.3L189 A192 L193 V201 F204L189-P199 HydrophobicContact CD1-CB 3.77Å; L189-P199 HydrophobicContact CD1-CG 3.61Å; A192-P199 HydrophobicContact CB-CB 4.24Å; A192-P199 HydrophobicContact CB-CG 4.25Å; L193-P199 HydrophobicContact CD2-CG 3.62Å; L193-P199 HydrophobicContact CG-CG 3.9Å; P199-V201 HydrophobicContact CB-CG2 4.1Å; P199-V201 PolarHBondContact O-N 3.13Å; P199-F204 HydrophobicContact CB-CB 4.42Å; P199-F204 HydrophobicContact CB-CD2 4.13Å; P199-F204 HydrophobicContact CB-CG 4.31Å; P199-F204 HydrophobicContact CG-CB 4.49Å; P199-F204 HydrophobicContact CG-CD1 4.41Å; P199-F204 HydrophobicContact CG-CD2 4.2Å; P199-F204 HydrophobicContact CG-CG 4.12Å
200D86.2Confident83.3Confident157 Ų15775.3 Ų75.384%0.8439%0.392SS*.SBendtrans-7769.9171.9-169.621.2000110.3Q198Q198-D200 PolarHBondContact O-N 3Å
201V86Confident81.3Confident15 Ų1583.8 Ų83.89%0.09143%0.429CS..SBendtrans-142.1136.1-179.4-171.20000108.3V122 F123 P199 C203 F204 A205V122-V201 HydrophobicContact CG1-CG1 3.87Å; V122-V201 WeakPolarHBondContact O-CG1 3.33Å; F123-V201 HydrophobicContact CD1-CG1 4.25Å; F123-V201 HydrophobicContact CD1-CG2 4.21Å; F123-V201 HydrophobicContact CE1-CG1 4.33Å; F123-V201 HydrophobicContact CE1-CG2 3.48Å; F123-V201 VanDerWaalsContact CE1-CG2 3.48Å; F123-V201 HydrophobicContact CZ-CG2 3.81Å; P199-V201 HydrophobicContact CB-CG2 4.1Å; P199-V201 PolarHBondContact O-N 3.13Å; V201-C203 PolarHBondContact O-N 3.26Å; V201-F204 HydrophobicContact CB-CD2 4.28Å; V201-F204 PolarHBondContact O-N 2.87Å; V201-A205 PolarHBondContact O-N 2.7Å
202L83Confident78.9Confident98 Ų9885.8 Ų85.851%0.51345%0.45SS..Hα-helixtrans-49.5-40.1-171.2-63.9175.6000114.1L148 F204 A205 S206L148-L202 HydrophobicContact CD1-CD1 4.17Å; L148-L202 HydrophobicContact CD2-CD1 4Å; L202-F204 PolarHBondContact O-N 3.03Å; L202-A205 PolarHBondContact O-N 2.92Å; L202-S206 WeakPolarHBondContact O-CB 3.31Å; L202-S206 PolarHBondContact O-N 3.36Å
203C84.5Confident76.5Confident20 Ų2087.9 Ų87.914%0.13546%0.464CS..Hα-helixtrans-73-10.5-179.365.40000115.2L153 I158 V201L153-C203 HydrophobicContact CB-CB 4.3Å; L153-C203 HydrophobicContact CD1-CB 3.97Å; L153-C203 HydrophobicContact CG-CB 4.41Å; I158-C203 HydrophobicContact CD1-CB 3.92Å; I158-C203 WeakPolarHBondContact CG1-O 3.34Å; V201-C203 PolarHBondContact O-N 3.26Å
204F85.7Confident74.1Confident33 Ų3394.3 Ų94.315%0.14549%0.493CS..Hα-helixtrans-108.5-25.8171.6-65.4-86000113V122 I158 F161 L189 Q198 P199 V201 L202V122-F204 HydrophobicContact CG1-CE2 4.03Å; I158-F204 HydrophobicContact CG2-CD1 3.75Å; I158-F204 HydrophobicContact CG2-CE1 3.74Å; F161-F204 AromaticContact CD1-CE1 3.75Å; F161-F204 HydrophobicContact CD1-CE1 3.75Å; F161-F204 AromaticContact CD1-CZ 3.62Å; F161-F204 HydrophobicContact CD1-CZ 3.62Å; F161-F204 HydrophobicContact CD2-CZ 4.25Å; F161-F204 AromaticContact CE1-CE1 3.91Å; F161-F204 HydrophobicContact CE1-CE1 3.91Å; F161-F204 AromaticContact CE1-CZ 3.55Å; F161-F204 HydrophobicContact CE1-CZ 3.55Å; F161-F204 HydrophobicContact CE2-CZ 4.16Å; F161-F204 HydrophobicContact CG-CE1 4.39Å; F161-F204 HydrophobicContact CG-CZ 4.02Å; F161-F204 AromaticContact CZ-CZ 3.83Å; F161-F204 HydrophobicContact CZ-CZ 3.83Å; L189-F204 HydrophobicContact CD1-CE2 3.94Å; L189-F204 HydrophobicContact CD1-CZ 4.35Å; Q198-F204 HydrophobicContact CG-CB 4.42Å; P199-F204 HydrophobicContact CB-CB 4.42Å; P199-F204 HydrophobicContact CB-CD2 4.13Å; P199-F204 HydrophobicContact CB-CG 4.31Å; P199-F204 HydrophobicContact CG-CB 4.49Å; P199-F204 HydrophobicContact CG-CD1 4.41Å; P199-F204 HydrophobicContact CG-CD2 4.2Å; P199-F204 HydrophobicContact CG-CG 4.12Å; V201-F204 HydrophobicContact CB-CD2 4.28Å; V201-F204 PolarHBondContact O-N 2.87Å; L202-F204 PolarHBondContact O-N 3.03Å
205A82.3Confident71.8Confident44 Ų4495.7 Ų95.736%0.36451%0.505SS..Hα-helixtrans-103.1-12-175.100000115.3V201 L202V201-A205 PolarHBondContact O-N 2.7Å; L202-A205 PolarHBondContact O-N 2.92Å
206S75.9Confident69.4Low30 Ų3098.6 Ų98.621%0.2152%0.517CS..SBendtrans-64.4139.1-178.8169.60000112.8L152 L202 V208L152-S206 WeakPolarHBondContact CD1-OG 3.49Å; L202-S206 WeakPolarHBondContact O-CB 3.31Å; L202-S206 PolarHBondContact O-N 3.36Å; S206-V208 PolarHBondContact O-N 3.45Å
207P69.2Low67.3Low99 Ų9991.4 Ų91.464%0.64350%0.497SS*.  trans-64.8129.4173.127.9-34.8000111.1
208V66.8Low65.3Low89 Ų8988.7 Ų88.754%0.53949%0.486SS..  trans-109.1109.1179.8-177.80000110.6M155 S206 P210M155-V208 HydrophobicContact CE-CB 4.21Å; M155-V208 HydrophobicContact CE-CG1 4.24Å; M155-V208 HydrophobicContact CE-CG2 4Å; S206-V208 PolarHBondContact O-N 3.45Å; V208-P210 WeakPolarHBondContact O-CD 3Å
209K59.5Low63.3Low133 Ų13386.1 Ų86.158%0.57848%0.481SS*.  trans-57.1118.3175.7-168.8170.2-161.8135.40111K211 E311K209-K211 PolarHBondContact O-N 3.4Å; K209-E311 WeakPolarHBondContact CD-OE1 3.27Å; K209-E311 WeakPolarHBondContact CE-OE1 3.33Å; K209-E311 IonicContact NZ-OE1 2.63Å; K209-E311 PolarHBondContact NZ-OE1 2.75Å; K209-E311 IonicContact NZ-OE2 2.65Å; K209-E311 PolarHBondContact NZ-OE2 2.8Å
210P57.9Low61.1Low114 Ų11492.1 Ų92.174%0.7451%0.51SS*.  trans-65.7112.4-179.925.5-33.1000109.4V208 S212V208-P210 WeakPolarHBondContact O-CD 3Å; P210-S212 PolarHBondContact O-N 2.91Å
211K53.5Low59.3Low183 Ų18388.1 Ų88.180%0.79649%0.489SS*.  trans-68.496.3175.5-71.8170.2-173.2154.50108.4K209 S213K209-K211 PolarHBondContact O-N 3.4Å; K211-S213 VanDerWaalsContact C-N 3.34Å; K211-S213 PolarHBondContact O-N 3.04Å
212S43.9Very low57.4Low108 Ų10896.8 Ų96.876%0.75552%0.52SS*.  trans-55.7100.8170.4-176.40000108.8P210 Q214P210-S212 PolarHBondContact O-N 2.91Å; S212-Q214 PolarHBondContact O-N 2.97Å
213S41.4Very low55.6Low58 Ų58101.9 Ų101.941%0.40653%0.532SS..  trans-66.2127.4-176.9-176.70000108K211 L215 M216K211-S213 VanDerWaalsContact C-N 3.34Å; K211-S213 PolarHBondContact O-N 3.04Å; S213-L215 PolarHBondContact O-N 3Å; S213-L215 WeakPolarHBondContact OG-CB 3.18Å; S213-L215 VanDerWaalsContact OG-CG 3.27Å; S213-L215 WeakPolarHBondContact OG-CG 3.39Å; S213-L215 PolarHBondContact OG-N 3.18Å; S213-M216 WeakPolarHBondContact O-CB 3.14Å; S213-M216 PolarHBondContact O-N 3.45Å
214Q43.1Very low53.6Low154 Ų154105 Ų10572%0.7256%0.559SS**G310 helixtrans-59.6-12.9175.3-64-172.3-500111.9S212 M216 C217S212-Q214 PolarHBondContact O-N 2.97Å; Q214-M216 PolarHBondContact O-N 3.01Å; Q214-C217 WeakPolarHBondContact O-CA 3.48Å; Q214-C217 VanDerWaalsContact O-CB 3.29Å; Q214-C217 WeakPolarHBondContact O-CB 3.03Å; Q214-C217 PolarHBondContact O-N 3.25Å
215L44.1Very low51.5Low87 Ų87110 Ų11046%0.45559%0.585SS.*G310 helixtrans-68.8-14.8171.8-45-178000113.7S213 C217 L218 P219S213-L215 PolarHBondContact O-N 3Å; S213-L215 WeakPolarHBondContact OG-CB 3.18Å; S213-L215 VanDerWaalsContact OG-CG 3.27Å; S213-L215 WeakPolarHBondContact OG-CG 3.39Å; S213-L215 PolarHBondContact OG-N 3.18Å; L215-C217 PolarHBondContact O-N 2.98Å; L215-L218 HydrophobicContact CB-CD1 4.2Å; L215-L218 HydrophobicContact CB-CG 4.2Å; L215-L218 HydrophobicContact CD2-CD1 3.67Å; L215-L218 HydrophobicContact CD2-CG 3.78Å; L215-L218 HydrophobicContact CG-CD1 4.39Å; L215-L218 VanDerWaalsContact O-CB 3.31Å; L215-L218 WeakPolarHBondContact O-CB 3.48Å; L215-L218 PolarHBondContact O-N 3.07Å; L215-P219 WeakPolarHBondContact O-CD 3.34Å
216M43.4Very low49.4Very low166 Ų166115.6 Ų115.682%0.81860%0.604SS**G310 helixtrans-61.1-23.7162.4-75.6-62.6-162.900112.1S213 Q214 P219S213-M216 WeakPolarHBondContact O-CB 3.14Å; S213-M216 PolarHBondContact O-N 3.45Å; Q214-M216 PolarHBondContact O-N 3.01Å; M216-P219 WeakPolarHBondContact O-CD 3.34Å
217C42.6Very low47.8Very low62 Ų62119.3 Ų119.342%0.41963%0.627SS.*G310 helixtrans-91.8-4.1170.6-157.70000112.9Q214 L215 M220 L221Q214-C217 WeakPolarHBondContact O-CA 3.48Å; Q214-C217 VanDerWaalsContact O-CB 3.29Å; Q214-C217 WeakPolarHBondContact O-CB 3.03Å; Q214-C217 PolarHBondContact O-N 3.25Å; L215-C217 PolarHBondContact O-N 2.98Å; C217-M220 WeakPolarHBondContact O-CB 3.47Å; C217-M220 PolarHBondContact O-N 2.86Å; C217-M220 VanDerWaalsContact O-N 3.08Å; C217-L221 HydrophobicContact CB-CD1 4.16Å; C217-L221 PolarHBondContact O-N 3.01Å
218L47.5Very low46.4Very low71 Ų71119.1 Ų119.137%0.37263%0.628SS.*Hα-helixtrans-59.2-37.4175.3-90.7-168.9000113.6L215 M220 L221 R222L215-L218 HydrophobicContact CB-CD1 4.2Å; L215-L218 HydrophobicContact CB-CG 4.2Å; L215-L218 HydrophobicContact CD2-CD1 3.67Å; L215-L218 HydrophobicContact CD2-CG 3.78Å; L215-L218 HydrophobicContact CG-CD1 4.39Å; L215-L218 VanDerWaalsContact O-CB 3.31Å; L215-L218 WeakPolarHBondContact O-CB 3.48Å; L215-L218 PolarHBondContact O-N 3.07Å; L218-M220 PolarHBondContact O-N 3.49Å; L218-L221 HydrophobicContact CD2-CB 4.37Å; L218-L221 PolarHBondContact O-N 3.44Å; L218-R222 WeakPolarHBondContact O-CA 3.31Å; L218-R222 WeakPolarHBondContact O-CB 3.38Å; L218-R222 PolarHBondContact O-N 3.34Å
219P43.8Very low45.3Very low84 Ų84121.9 Ų121.955%0.54564%0.638SS.*Hα-helixtrans-58.8-28.3174.9-27.236.5000114L215 M216L215-P219 WeakPolarHBondContact O-CD 3.34Å; M216-P219 WeakPolarHBondContact O-CD 3.34Å
220M43.9Very low44.6Very low129 Ų129120.1 Ų120.164%0.63565%0.648SS**Hα-helixtrans-82.1-53.6172.5-70.5-72.1132.900111.2C217 L218 R222 R223 A224C217-M220 WeakPolarHBondContact O-CB 3.47Å; C217-M220 PolarHBondContact O-N 2.86Å; C217-M220 VanDerWaalsContact O-N 3.08Å; L218-M220 PolarHBondContact O-N 3.49Å; M220-R222 VanDerWaalsContact C-N 3.29Å; M220-R222 PolarHBondContact O-N 3.44Å; M220-R223 PolarHBondContact O-N 3.43Å; M220-R223 VanDerWaalsContact O-N 3.08Å; M220-A224 PolarHBondContact O-N 3.04Å
221L46.7Very low43.8Very low74 Ų74118 Ų11839%0.38765%0.647SS.*Hα-helixtrans-62.7-31.7-178-71166.6000113C217 L218 R223 A224 M225C217-L221 HydrophobicContact CB-CD1 4.16Å; C217-L221 PolarHBondContact O-N 3.01Å; L218-L221 HydrophobicContact CD2-CB 4.37Å; L218-L221 PolarHBondContact O-N 3.44Å; L221-R223 VanDerWaalsContact C-N 3.25Å; L221-R223 PolarHBondContact O-N 2.89Å; L221-A224 CarbonylContact O-C 3.58Å; L221-A224 PolarHBondContact O-N 2.81Å; L221-A224 VanDerWaalsContact O-N 3.07Å; L221-M225 WeakPolarHBondContact O-CB 3.34Å; L221-M225 PolarHBondContact O-N 2.93Å
222R46.5Very low43.4Very low196 Ų196116.1 Ų116.174%0.7464%0.639SS**Hα-helixtrans-72-15.5177.3-164.6177.7-162.1166.94.6113.1L218 M220L218-R222 WeakPolarHBondContact O-CA 3.31Å; L218-R222 WeakPolarHBondContact O-CB 3.38Å; L218-R222 PolarHBondContact O-N 3.34Å; M220-R222 VanDerWaalsContact C-N 3.29Å; M220-R222 PolarHBondContact O-N 3.44Å
223R44.9Very low43.4Very low206 Ų206119.3 Ų119.378%0.77765%0.647SS**Hα-helixtrans-84-34.3164.3-80.7-173.4167.8113.6-5.7112.4M220 L221M220-R223 PolarHBondContact O-N 3.43Å; M220-R223 VanDerWaalsContact O-N 3.08Å; L221-R223 VanDerWaalsContact C-N 3.25Å; L221-R223 PolarHBondContact O-N 2.89Å
224A44.1Very low44.2Very low85 Ų85121.8 Ų121.870%0.70266%0.655SS**Hα-helixtrans-77.1-32.4177.100000113.4M220 L221M220-A224 PolarHBondContact O-N 3.04Å; L221-A224 CarbonylContact O-C 3.58Å; L221-A224 PolarHBondContact O-N 2.81Å; L221-A224 VanDerWaalsContact O-N 3.07Å
225M40.9Very low44.3Very low138 Ų138124.8 Ų124.868%0.6866%0.661SS**THydrogen-bonded Turntrans-10549.3179.6-65-177.1161.300111.4L221 P227L221-M225 WeakPolarHBondContact O-CB 3.34Å; L221-M225 PolarHBondContact O-N 2.93Å; M225-P227 WeakPolarHBondContact O-CD 3.33Å
226Q38.2Very low44.4Very low162 Ų162128.6 Ų128.676%0.75768%0.678SS**  trans-59114.1160.3-85.5-109.819.200108.2S228Q226-S228 PolarHBondContact O-N 2.68Å
227P41.8Very low44.3Very low107 Ų107123.4 Ų123.470%0.69567%0.668SS**  trans-74.6115.6-176-7.222.9000109.2M225 I229M225-P227 WeakPolarHBondContact O-CD 3.33Å; P227-I229 PolarHBondContact O-N 3.25Å
228S40.8Very low44.1Very low96 Ų96123.9 Ų123.967%0.67168%0.683SS**  trans-52.8129.9162.1178.90000108.7Q226 A230 G231Q226-S228 PolarHBondContact O-N 2.68Å; S228-A230 PolarHBondContact O-N 3.28Å; S228-G231 PolarHBondContact O-N 3.36Å
229I44.3Very low43.8Very low147 Ų147129.9 Ų129.975%0.75471%0.706SS**G310 helixtrans-62.8-15.5-168.4-66.5173.4000112.3P227 G231P227-I229 PolarHBondContact O-N 3.25Å; I229-G231 VanDerWaalsContact C-N 3.29Å; I229-G231 PolarHBondContact O-N 3.13Å
230A43.5Very low43.3Very low96 Ų96135.6 Ų135.679%0.79373%0.725SS**G310 helixtrans-64.5-17.7177.500000115.9S228 K232S228-A230 PolarHBondContact O-N 3.28Å; A230-K232 PolarHBondContact O-N 3.27Å
231G40.4Very low43.2Very low68 Ų68135 Ų13570%0.70173%0.734SS**G310 helixtrans-85.98.6-171.400000117.2S228 I229 N233S228-G231 PolarHBondContact O-N 3.36Å; I229-G231 VanDerWaalsContact C-N 3.29Å; I229-G231 PolarHBondContact O-N 3.13Å; G231-N233 PolarHBondContact O-N 2.92Å
232K44.9Very low42.7Very low144 Ų144136.4 Ų136.463%0.62675%0.75SS**  trans-93.496.6-167-80.8177.2170.2-178.70114A230 I234A230-K232 PolarHBondContact O-N 3.27Å; K232-I234 HydrophobicContact CB-CD1 4.29Å; K232-I234 HydrophobicContact CB-CG1 4.14Å; K232-I234 HydrophobicContact CD-CD1 3.93Å; K232-I234 HydrophobicContact CG-CD1 4.1Å; K232-I234 HydrophobicContact CG-CG1 4.39Å; K232-I234 PolarHBondContact O-N 3.31Å
233N45.6Very low42.3Very low175 Ų175134.8 Ų134.894%0.93676%0.755SS**  trans-7046.3161.9-72.2-21.1000112.6G231G231-N233 PolarHBondContact O-N 2.92Å
234I57.3Low41.9Very low111 Ų111133.4 Ų133.457%0.56976%0.755SS**  trans-93.7104.5174.7-59.5-179.6000107.6K232 M236K232-I234 HydrophobicContact CB-CD1 4.29Å; K232-I234 HydrophobicContact CB-CG1 4.14Å; K232-I234 HydrophobicContact CD-CD1 3.93Å; K232-I234 HydrophobicContact CG-CD1 4.1Å; K232-I234 HydrophobicContact CG-CG1 4.39Å; K232-I234 PolarHBondContact O-N 3.31Å; I234-M236 VanDerWaalsContact C-N 3.33Å; I234-M236 HydrophobicContact CG2-CG 4.19Å; I234-M236 PolarHBondContact O-N 2.9Å
235Y45.7Very low41.5Very low217 Ų217136.6 Ų136.685%0.85177%0.766SS**  trans-6986.9175.8-177.7-99.6000110.8G237Y235-G237 PolarHBondContact O-N 3.05Å
236M46.7Very low41.2Very low166 Ų166134.1 Ų134.182%0.81877%0.767SS**  trans-78.9109.2165.6-67.1-166.574.200108.8I234 G238I234-M236 VanDerWaalsContact C-N 3.33Å; I234-M236 HydrophobicContact CG2-CG 4.19Å; I234-M236 PolarHBondContact O-N 2.9Å; M236-G238 PolarHBondContact O-N 3.08Å
237G40.8Very low41.4Very low58 Ų58131.9 Ų131.960%0.59877%0.767SS**  trans-62.391.4-179.400000113Y235 K239Y235-G237 PolarHBondContact O-N 3.05Å; G237-K239 PolarHBondContact O-N 3.48Å
238G37.2Very low41.4Very low71 Ų71132 Ų13273%0.73277%0.767SS**PPolyproline II helixtrans-71.6119178.200000112.1M236M236-G238 PolarHBondContact O-N 3.08Å
239K41.1Very low41.2Very low198 Ų198134.7 Ų134.786%0.86177%0.77SS**PPolyproline II helixtrans-65.3133171-64.8178.9-179.1177.10109.4G237 S241G237-K239 PolarHBondContact O-N 3.48Å; K239-S241 PolarHBondContact O-N 3.04Å
240Q34.5Very low41.1Very low203 Ų203135.3 Ų135.395%0.94977%0.769SS**PPolyproline II helixtrans-64.4129.1173.5-64.2-177.89.200110.7
241S42Very low40.9Very low117 Ų117139.5 Ų139.582%0.81877%0.772SS**  trans-137.1129.5162.447.30000109.3K239K239-S241 PolarHBondContact O-N 3.04Å
242S34.9Very low40.8Very low104 Ų104140.9 Ų140.973%0.72778%0.777SS**  trans-88.2141.6-170.9-179.90000112.3
243L39.4Very low40.3Very low162 Ų162141.2 Ų141.285%0.84878%0.784SS**  trans179.993.9154-95.8153.3000107.7
244K35.2Very low40Very low177 Ų177142.4 Ų142.477%0.7778%0.784SS**  55.8108.791.3-68.2-173.2176.4-176.80115.8
245T36.1Very low38.8Very low151 Ų151143 Ų14393%0.92679%0.792SS**  -165.9157.9126.8-72.80000107.8
246A35.5Very low38.6Very low86 Ų86138.9 Ų138.971%0.71179%0.79SS**  trans-115.2159.2-158.500000115.4
247P42.4Very low38.3Very low115 Ų115140 Ų14075%0.74779%0.79SS**  trans-87.2178.4169.441.2-38.1000111.3
248P41.3Very low37.9Very low109 Ų109143.2 Ų143.271%0.70880%0.8SS**  -120.7-159.881.940.6-33.8000111
249E37.4Very low38Very low154 Ų154147.9 Ų147.972%0.7281%0.808SS**  cis-156.9-179.212.6-137.3167.388.800105.8
250Q41.3Very low37.8Very low159 Ų159143.7 Ų143.774%0.74380%0.801SS**  cis-142.6-162.517-117.9-178.516.700112.6
251E40.3Very low37.9Very low184 Ų184142.9 Ų142.986%0.8680%0.797SS**  trans-73.9169.2-177-51.2177.7129.600114
252A37.1Very low37.7Very low97 Ų97141.7 Ų141.780%0.80280%0.795SS**  cis-148.4165.117.700000114
253I34.4Very low37.9Very low152 Ų152141.9 Ų141.978%0.77980%0.802SS**  trans-114.5132.3178.2-60.6163.9000109.9V255I253-V255 HydrophobicContact CG2-CG2 4.1Å
254Q39.1Very low37.8Very low199 Ų199143.8 Ų143.893%0.9380%0.804SS**  trans-139.4145.6145.6-72.3-157.720.700111.2
255V33.6Very low37.7Very low123 Ų123140.3 Ų140.375%0.74580%0.799SS**  trans-125.9141.8-174170.20000108.2I253I253-V255 HydrophobicContact CG2-CG2 4.1Å
256V40.4Very low37.6Very low132 Ų132140.8 Ų140.880%0.879%0.791SS**  trans-166.8128.2143.9134.40000112.7
257K39.6Very low37.3Very low189 Ų189144.9 Ų144.982%0.82280%0.795SS**  trans28.3136.2157.5-64-176.8173.8-1800123.1
258P33.2Very low36.8Very low125 Ų125143.1 Ų143.181%0.81280%0.798SS**  trans-96.6162.1162.939.1-33.9000113.9
259L38.3Very low36.3Very low170 Ų170143.5 Ų143.589%0.8980%0.803SS**  trans-157.6141.2155.7-160.467000109.2
260P37.2Very low36Very low109 Ų109141 Ų14171%0.70880%0.802SS**  trans-96.7166.7-176.338.1-35.9000113.7
261E37.5Very low35.7Very low186 Ų186140.9 Ų140.987%0.86981%0.807SS**  165.9149.4116.2-169.2156165.200113.4
262A36.9Very low35.6Very low93 Ų93136 Ų13677%0.76980%0.798SS**  trans48.997162.400000122.1
263A39.4Very low35.7Very low108 Ų108137 Ų13789%0.89379%0.794SS**  trans-158.2142.8135.900000112.4
264K37Very low35.7Very low202 Ų202138.7 Ų138.788%0.87880%0.799SS**  trans-142.2164.3170.5-96.7-167.4179-1760107.4
265P34.5Very low35.5Very low104 Ų104138.2 Ų138.268%0.67579%0.794SS**  cis-135169.7-34.838.9-24000112.6
266Q32.6Very low35.9Very low160 Ų160136.7 Ų136.775%0.74879%0.789SS**  trans168154.5130.2-97.8175.1-111.200112.9
267E29.1Very low35.9Very low173 Ų173138.5 Ų138.581%0.80879%0.794SS**  trans57.1119.3158.1-73.8154.3-132.400120.3
268G32.2Very low36.1Very low77 Ų77139.9 Ų139.979%0.79479%0.794SS**  trans166.7102.917300000112.8
269S31.1Very low36.2Very low117 Ų117137.8 Ų137.882%0.81879%0.787SS**  trans-36.1138.5-177.7-160.60000116.7
270S30.3Very low36.5Very low101 Ų101135.6 Ų135.671%0.70678%0.783SS**  trans-127.788.4-180171.80000112.4A272S270-A272 VanDerWaalsContact C-N 3.26Å; S270-A272 PolarHBondContact O-N 3.26Å
271D36.2Very low36.8Very low157 Ų157137.5 Ų137.584%0.8479%0.787SS**  trans-77.974.6166.8-69.5-52.3000110.7V273D271-V273 PolarHBondContact O-N 2.97Å
272A37.5Very low36.8Very low81 Ų81133.3 Ų133.367%0.66977%0.774SS**  trans-85.5104.6177.100000110.5S270 E274S270-A272 VanDerWaalsContact C-N 3.26Å; S270-A272 PolarHBondContact O-N 3.26Å; A272-E274 PolarHBondContact O-N 3.24Å; A272-E274 VanDerWaalsContact O-N 3.12Å
273V39Very low37.2Very low119 Ų119132.3 Ų132.372%0.72175%0.753SS**  trans-71.7104.7176-178.70000109.8D271 F275D271-V273 PolarHBondContact O-N 2.97Å; V273-F275 HydrophobicContact CB-CE2 4.45Å; V273-F275 HydrophobicContact CG1-CD2 4.02Å; V273-F275 HydrophobicContact CG1-CE2 3.82Å; V273-F275 PolarHBondContact O-N 2.94Å
274E34.9Very low37.3Very low187 Ų187133.6 Ų133.687%0.87474%0.744SS**  trans-73.395.4179.7-170.6174-16300111.4A272 S276A272-E274 PolarHBondContact O-N 3.24Å; A272-E274 VanDerWaalsContact O-N 3.12Å; E274-S276 PolarHBondContact O-N 3.31Å
275F35.8Very low37.9Very low189 Ų189127.3 Ų127.383%0.82972%0.715SS**  trans-72.194.4171.4-87.2-95.9000110.4V273 D277V273-F275 HydrophobicContact CB-CE2 4.45Å; V273-F275 HydrophobicContact CG1-CD2 4.02Å; V273-F275 HydrophobicContact CG1-CE2 3.82Å; V273-F275 PolarHBondContact O-N 2.94Å; F275-D277 PolarHBondContact O-N 3.3Å
276S41.7Very low38.4Very low91 Ų91126.4 Ų126.464%0.63670%0.702SS**  trans-68.3109171.5-174.40000110.6E274 R278E274-S276 PolarHBondContact O-N 3.31Å; S276-R278 PolarHBondContact O-N 2.89Å
277D40.8Very low39.1Very low171 Ų171123.8 Ų123.891%0.91469%0.692SS**  trans-7735.8-172.7-150.314.5000113.4F275F275-D277 PolarHBondContact O-N 3.3Å
278R42.9Very low39.8Very low217 Ų217119.7 Ų119.782%0.81968%0.681SS**  trans-109.2102.8-178.7-70-173.5177.5178.72.1110.3S276S276-R278 PolarHBondContact O-N 2.89Å
279A35.1Very low40.4Very low82 Ų82122.4 Ų122.468%0.67867%0.673SS**  trans-53.3131.9164.600000109.8L281A279-L281 PolarHBondContact O-N 3.2Å
280P45.1Very low40.8Very low123 Ų123121.8 Ų121.880%0.79966%0.661SS**  trans-66.2110.5-177.825.7-33.3000109.9V282P280-V282 PolarHBondContact O-N 3.48Å; P280-V282 VanDerWaalsContact O-N 3.09Å
281L43.5Very low41.1Very low150 Ų150124 Ų12479%0.78566%0.664SS**  trans-70.5103.6174.6-65.2178000108.9A279 Q283A279-L281 PolarHBondContact O-N 3.2Å; L281-Q283 PolarHBondContact O-N 2.78Å
282V38Very low41.1Very low98 Ų98127.3 Ų127.359%0.59467%0.665SS**  trans-54.7123.7172.1179.60000108.6P280 E286 I287P280-V282 PolarHBondContact O-N 3.48Å; P280-V282 VanDerWaalsContact O-N 3.09Å; V282-E286 WeakPolarHBondContact CA-OE2 3.48Å; V282-E286 HydrophobicContact CG1-CB 4.2Å; V282-I287 HydrophobicContact CG1-CD1 4.14Å; V282-I287 HydrophobicContact CG1-CG1 3.79Å
283Q45Very low40.9Very low72 Ų72127.5 Ų127.534%0.33666%0.662SS.*  trans-82.9138.2-175-55.4167.47.300107.6L281 R285 E286L281-Q283 PolarHBondContact O-N 2.78Å; Q283-R285 HydrophobicContact CB-CG 3.94Å; Q283-R285 PolarHBondContact O-N 2.86Å; Q283-E286 HydrophobicContact CB-CG 4.08Å; Q283-E286 PolarHBondContact N-OE2 3.48Å; Q283-E286 WeakPolarHBondContact O-CA 3.37Å; Q283-E286 WeakPolarHBondContact O-CB 3.28Å; Q283-E286 PolarHBondContact O-N 3.34Å
284L40.9Very low40.7Very low135 Ų135126.9 Ų126.971%0.70766%0.663SS**Hα-helixtrans-54.1-32.7-177-104.977.2000113E286 I287 C288L284-E286 VanDerWaalsContact C-N 3.31Å; L284-E286 PolarHBondContact O-N 2.74Å; L284-I287 WeakPolarHBondContact O-CA 2.95Å; L284-I287 WeakPolarHBondContact O-CB 3.5Å; L284-I287 PolarHBondContact O-N 3.13Å; L284-C288 PolarHBondContact O-N 3.37Å; L284-C288 PolarHBondContact O-SG 3.36Å; L284-C288 VanDerWaalsContact O-SG 3.37Å
285R49.4Very low40.9Very low69 Ų69124.6 Ų124.626%0.2666%0.657SS.*Hα-helixtrans-58.2-36.7172.562.6-178.2170.5-134.52113.9Q283 I287 C288 E289Q283-R285 HydrophobicContact CB-CG 3.94Å; Q283-R285 PolarHBondContact O-N 2.86Å; R285-I287 PolarHBondContact O-N 3.41Å; R285-C288 PolarHBondContact O-N 3.02Å; R285-E289 VanDerWaalsContact O-CB 3.23Å; R285-E289 WeakPolarHBondContact O-CB 3.39Å; R285-E289 WeakPolarHBondContact O-CG 3.41Å; R285-E289 PolarHBondContact O-N 2.77Å
286E44.8Very low40.8Very low85 Ų85121.8 Ų121.840%0.39765%0.65SS.*Hα-helixtrans-69-19.4176.3-61165164.600112.2V282 Q283 L284 N290V282-E286 WeakPolarHBondContact CA-OE2 3.48Å; V282-E286 HydrophobicContact CG1-CB 4.2Å; Q283-E286 HydrophobicContact CB-CG 4.08Å; Q283-E286 PolarHBondContact N-OE2 3.48Å; Q283-E286 WeakPolarHBondContact O-CA 3.37Å; Q283-E286 WeakPolarHBondContact O-CB 3.28Å; Q283-E286 PolarHBondContact O-N 3.34Å; L284-E286 VanDerWaalsContact C-N 3.31Å; L284-E286 PolarHBondContact O-N 2.74Å; E286-N290 PolarHBondContact O-ND2 3.49Å
287I48.6Very low40.6Very low106 Ų106121.6 Ų121.654%0.54465%0.654SS.*Hα-helixtrans-86.6-41.2173.1-49.3178.3000110V282 L284 R285V282-I287 HydrophobicContact CG1-CD1 4.14Å; V282-I287 HydrophobicContact CG1-CG1 3.79Å; L284-I287 WeakPolarHBondContact O-CA 2.95Å; L284-I287 WeakPolarHBondContact O-CB 3.5Å; L284-I287 PolarHBondContact O-N 3.13Å; R285-I287 PolarHBondContact O-N 3.41Å
288C43.2Very low40.4Very low87 Ų87119.4 Ų119.459%0.58865%0.647SS**Hα-helixtrans-82.3-29.7-175.4-62.40000115L284 R285 N290L284-C288 PolarHBondContact O-N 3.37Å; L284-C288 PolarHBondContact O-SG 3.36Å; L284-C288 VanDerWaalsContact O-SG 3.37Å; R285-C288 PolarHBondContact O-N 3.02Å; C288-N290 PolarHBondContact O-N 3.11Å
289E44.7Very low39.8Very low134 Ų134112.7 Ų112.763%0.62663%0.634SS**THydrogen-bonded Turntrans-70.5-7.8-177.1-75.6172.3-169.100113.8R285R285-E289 VanDerWaalsContact O-CB 3.23Å; R285-E289 WeakPolarHBondContact O-CB 3.39Å; R285-E289 WeakPolarHBondContact O-CG 3.41Å; R285-E289 PolarHBondContact O-N 2.77Å
290N38.8Very low39.7Very low104 Ų104113.8 Ų113.856%0.55663%0.634SS**THydrogen-bonded Turntrans-1116.8-162.7-80.3-47000116.5E286 C288E286-N290 PolarHBondContact O-ND2 3.49Å; C288-N290 PolarHBondContact O-N 3.11Å
291N37.2Very low39.1Very low146 Ų146112.6 Ų112.678%0.78162%0.624SS**  trans-103.79.8-169.3-138.2102.2000116.5
292W35.4Very low38.7Very low227 Ų227110.3 Ų110.386%0.8662%0.621SS**  trans-9890.3165.7-68.696.2000109.4
293S34.2Very low38.6Very low86 Ų86116.2 Ų116.260%0.60163%0.634SS**  trans-75.9125.2166.372.30000109.4D295S293-D295 WeakPolarHBondContact CB-OD2 3.33Å; S293-D295 PolarHBondContact O-N 2.86Å; S293-D295 PolarHBondContact OG-OD2 3.19Å
294S35.8Very low38.5Very low106 Ų106117.1 Ų117.174%0.74165%0.645SS**  trans-79.842.3178.7-176.90000111.8D296S294-D296 VanDerWaalsContact C-N 3.31Å; S294-D296 PolarHBondContact O-N 3.14Å
295D38.2Very low38.8Very low138 Ų138118.8 Ų118.874%0.73865%0.648SS**  trans-82.9-4.8-173.1-66.1-43.3000113.5S293S293-D295 WeakPolarHBondContact CB-OD2 3.33Å; S293-D295 PolarHBondContact O-N 2.86Å; S293-D295 PolarHBondContact OG-OD2 3.19Å
296D32.7Very low39.2Very low130 Ų130122.7 Ų122.770%0.69566%0.664SS**  trans-115.947.4177.2-150.7-7.6000112.4S294 T298S294-D296 VanDerWaalsContact C-N 3.31Å; S294-D296 PolarHBondContact O-N 3.14Å; D296-T298 PolarHBondContact O-N 3.14Å
297A38.9Very low40.1Very low87 Ų87123.7 Ų123.772%0.71967%0.669SS**THydrogen-bonded Turntrans-72.335.317800000113.7
298T36.1Very low40.9Very low125 Ų125121.6 Ų121.677%0.76766%0.661SS**THydrogen-bonded Turntrans-126.91.5-171.8-18.10000114D296D296-T298 PolarHBondContact O-N 3.14Å
299S30.4Very low42.2Very low76 Ų76120.5 Ų120.553%0.53165%0.652SS.*  trans-119.8112.2179.8-174.90000111.5V301S299-V301 PolarHBondContact O-N 3.21Å
300P32.4Very low43.6Very low106 Ų106114.9 Ų114.969%0.68863%0.627SS**SBendtrans-80.742.7-179.234.8-36.5000112.9
301V33.1Very low45Very low97 Ų97116.2 Ų116.259%0.58863%0.63SS**  trans-144.873.7176.4-166.50000110.4S299 Y303S299-V301 PolarHBondContact O-N 3.21Å; V301-Y303 HydrophobicContact CG1-CD2 4.27Å; V301-Y303 HydrophobicContact CG1-CE2 3.92Å
302S35.3Very low46.7Very low103 Ų103114.8 Ų114.872%0.7263%0.626SS**  trans-97.5125.4173.5-166.10000111.1T304S302-T304 PolarHBondContact O-N 2.97Å
303Y35.4Very low48.8Very low221 Ų221106 Ų10687%0.86760%0.599SS**SBendtrans-79.129.9-161.8-99.3-97.2000115.9V301V301-Y303 HydrophobicContact CG1-CD2 4.27Å; V301-Y303 HydrophobicContact CG1-CE2 3.92Å
304T42.4Very low50.6Low92 Ų92108.2 Ų108.256%0.56460%0.604SS**  trans-117.9100.4179.754.60000111.2S302 Y306S302-T304 PolarHBondContact O-N 2.97Å; T304-Y306 VanDerWaalsContact C-N 3.31Å; T304-Y306 WeakPolarHBondContact O-CD1 3.47Å; T304-Y306 PolarHBondContact O-N 3.18Å
305H48.4Very low52.5Low169 Ų169106 Ų10678%0.78259%0.588SS**  trans-79.379.2174.2-153.6-83.7000109.4
306Y58.3Low54.1Low152 Ų152101.5 Ų101.560%0.59657%0.566SS**  trans-95.5128.617565.8-91.4000110.4T304T304-Y306 VanDerWaalsContact C-N 3.31Å; T304-Y306 WeakPolarHBondContact O-CD1 3.47Å; T304-Y306 PolarHBondContact O-N 3.18Å
307E61.9Low55.9Low106 Ų10696.8 Ų96.850%0.49554%0.54SS..  trans-92.1130.6176.1-73178.8-161.300109.8V316E307-V316 HydrophobicContact CB-CG1 3.88Å; E307-V316 HydrophobicContact CG-CG1 3.86Å
308T65.8Low57.2Low61 Ų6199.6 Ų99.637%0.37453%0.533SS..EExtended strand (participates in β ladder)trans-100.6109.8179.1-59.30000108.8I317T308-I317 HydrophobicContact CG2-CB 4.47Å; T308-I317 HydrophobicContact CG2-CD1 4.47Å; T308-I317 WeakPolarHBondContact O-CA 3.21Å; T308-I317 WeakPolarHBondContact O-CB 3.42Å; T308-I317 WeakPolarHBondContact O-CG1 3.5Å; T308-I317 PolarHBondContact O-N 3.1Å
309V70.5Confident58.2Low65 Ų6598.1 Ų98.139%0.39453%0.526SS..EExtended strand (participates in β ladder)trans-96.3136.6-178.2-174.70000110.1D314 V316V309-D314 HydrophobicContact CG1-CB 4.37Å; V309-V316 HydrophobicContact CG2-CG2 4.48Å
310C73.8Confident59.4Low16 Ų1697.8 Ų97.811%0.10852%0.523CS..  trans-81120.8169.3163.10000110.7V312 C313 D314 S315 I317 C327 C329C310-V312 PolarHBondContact O-N 3.3Å; C310-C313 WeakPolarHBondContact CB-SG 3.26Å; C310-C313 PolarHBondContact O-N 2.63Å; C310-C313 VanDerWaalsContact SG-SG 3.65Å; C310-D314 PolarHBondContact O-N 3.03Å; C310-S315 PolarHBondContact N-O 3.45Å; C310-I317 HydrophobicContact CB-CD1 4.03Å; C310-C327 HydrophobicContact CB-CB 3.53Å; C310-C329 WeakPolarHBondContact CB-SG 3.12Å; C310-C329 WeakPolarHBondContact SG-CB 3.45Å; C310-C329 CovalentContact SG-SG 2.08Å; C310-C329 PolarHBondContact SG-SG 3.05Å
311E68.1Low60.4Low131 Ų131101 Ų10161%0.61253%0.529SS*.THydrogen-bonded Turntrans-58.917.8179.7-47.1178.6142.200115.9K209K209-E311 WeakPolarHBondContact CD-OE1 3.27Å; K209-E311 WeakPolarHBondContact CE-OE1 3.33Å; K209-E311 IonicContact NZ-OE1 2.63Å; K209-E311 PolarHBondContact NZ-OE1 2.75Å; K209-E311 IonicContact NZ-OE2 2.65Å; K209-E311 PolarHBondContact NZ-OE2 2.8Å
312V73.3Confident61.4Low117 Ų117104 Ų10471%0.70954%0.54SS*.THydrogen-bonded Turntrans-143.7-18.8-175.1-173.80000112C310 C329C310-V312 PolarHBondContact O-N 3.3Å; V312-C329 HydrophobicContact CB-CB 3.97Å; V312-C329 HydrophobicContact CG1-CB 4.22Å
313C79.7Confident61.9Low41 Ų41102.8 Ų102.828%0.27753%0.532SS..THydrogen-bonded Turntrans-133-1.1-176.6690000113.9C310 S315 C327 C329C310-C313 WeakPolarHBondContact CB-SG 3.26Å; C310-C313 PolarHBondContact O-N 2.63Å; C310-C313 VanDerWaalsContact SG-SG 3.65Å; C313-S315 PolarHBondContact O-N 2.08Å; C313-S315 PolarHBondContact O-OG 2.93Å; C313-S315 VanDerWaalsContact SG-CB 3.52Å; C313-S315 PolarHBondContact SG-OG 2.65Å; C313-C327 WeakPolarHBondContact CB-SG 3.2Å; C313-C327 WeakPolarHBondContact SG-CB 3.08Å; C313-C327 CovalentContact SG-SG 2.06Å; C313-C327 PolarHBondContact SG-SG 3.43Å; C313-C329 HydrophobicContact CB-CB 3.91Å
314D72.1Confident62.8Low134 Ų13499.6 Ų99.672%0.71753%0.53SS*.  trans43.621.7-174-55.7-33.3000115.6V309 C310V309-D314 HydrophobicContact CG1-CB 4.37Å; C310-D314 PolarHBondContact O-N 3.03Å
315S75.8Confident63.5Low58 Ų5897.2 Ų97.241%0.40652%0.52SS..  trans-89.6129.2-177.8-54.10000109.3C310 C313 I317C310-S315 PolarHBondContact N-O 3.45Å; C313-S315 PolarHBondContact O-N 2.08Å; C313-S315 PolarHBondContact O-OG 2.93Å; C313-S315 VanDerWaalsContact SG-CB 3.52Å; C313-S315 PolarHBondContact SG-OG 2.65Å; S315-I317 PolarHBondContact O-N 3.33Å
316V71.9Confident64.3Low45 Ų4595.5 Ų95.527%0.27351%0.512SS..EExtended strand (participates in β ladder)trans-65.6123.3174.2-179.40000110E307 V309 Y318E307-V316 HydrophobicContact CB-CG1 3.88Å; E307-V316 HydrophobicContact CG-CG1 3.86Å; V309-V316 HydrophobicContact CG2-CG2 4.48Å; V316-Y318 HydrophobicContact CB-CE2 3.94Å; V316-Y318 HydrophobicContact CG1-CD1 4.22Å; V316-Y318 HydrophobicContact CG1-CD2 4.12Å; V316-Y318 HydrophobicContact CG1-CE1 3.79Å; V316-Y318 HydrophobicContact CG1-CE2 3.67Å; V316-Y318 HydrophobicContact CG1-CG 4.37Å; V316-Y318 VanDerWaalsContact CG1-CZ 3.49Å
317I71.1Confident64.8Low30 Ų3089.3 Ų89.315%0.15449%0.49CS..EExtended strand (participates in β ladder)trans-96.4106.4173.9-55172.1000107.2T308 C310 S315 P319 A325 C327T308-I317 HydrophobicContact CG2-CB 4.47Å; T308-I317 HydrophobicContact CG2-CD1 4.47Å; T308-I317 WeakPolarHBondContact O-CA 3.21Å; T308-I317 WeakPolarHBondContact O-CB 3.42Å; T308-I317 WeakPolarHBondContact O-CG1 3.5Å; T308-I317 PolarHBondContact O-N 3.1Å; C310-I317 HydrophobicContact CB-CD1 4.03Å; S315-I317 PolarHBondContact O-N 3.33Å; I317-P319 WeakPolarHBondContact O-CD 3.16Å; I317-A325 HydrophobicContact CG2-CB 3.64Å; I317-A325 VanDerWaalsContact CG2-O 3.26Å; I317-A325 WeakPolarHBondContact CG2-O 3.42Å; I317-C327 HydrophobicContact CD1-CB 4.07Å; I317-C327 HydrophobicContact CG1-CB 4.12Å
318Y65Low65.3Low147 Ų14792.4 Ų92.458%0.57651%0.505SS*.  trans-82118.5173.4-60.7-84.9000109.5V316 S320 A325V316-Y318 HydrophobicContact CB-CE2 3.94Å; V316-Y318 HydrophobicContact CG1-CD1 4.22Å; V316-Y318 HydrophobicContact CG1-CD2 4.12Å; V316-Y318 HydrophobicContact CG1-CE1 3.79Å; V316-Y318 HydrophobicContact CG1-CE2 3.67Å; V316-Y318 HydrophobicContact CG1-CG 4.37Å; V316-Y318 VanDerWaalsContact CG1-CZ 3.49Å; Y318-S320 PolarHBondContact O-N 3.27Å; Y318-A325 WeakPolarHBondContact O-CB 3.26Å
319P58.3Low65.4Low93 Ų9391.5 Ų91.560%0.60450%0.501SS*.  trans-65128174.327.2-33000109.7I317I317-P319 WeakPolarHBondContact O-CD 3.16Å
320S54.4Low64.7Low69 Ų6995.6 Ų95.648%0.48352%0.52SS..BIsolated β-bridgetrans-118135.4-179-172.20000109.7Y318 I322 S323Y318-S320 PolarHBondContact O-N 3.27Å; S320-I322 PolarHBondContact O-N 3.5Å; S320-S323 PolarHBondContact O-N 2.82Å
321E54.8Low63.5Low174 Ų17497.8 Ų97.881%0.81355%0.546SS*.THydrogen-bonded Turntrans-63-9.3-172.9-59.4-170.4143.400114.5
322I52.8Low61.8Low159 Ų159100.5 Ų100.582%0.81556%0.555SS**THydrogen-bonded Turntrans-121.2-9.4-166.7-53.2-179.3000112.4S320S320-I322 PolarHBondContact O-N 3.5Å
323S46.6Very low59.9Low79 Ų79100.2 Ų100.255%0.55256%0.556SS**BIsolated β-bridgetrans-155.5150.3179.757.10000114.5S320 A325S320-S323 PolarHBondContact O-N 2.82Å; S323-A325 VanDerWaalsContact C-N 3.35Å; S323-A325 PolarHBondContact O-N 2.95Å
324D53.6Low57.5Low153 Ų153103 Ų10382%0.81858%0.582SS**  trans-63.989.9171.7-73.2-49.6000110.7H326D324-H326 PolarHBondContact O-N 2.9Å; D324-H326 PolarHBondContact O-ND1 3.44Å
325A57.4Low55.7Low43 Ų43104 Ų10436%0.35558%0.582SS.*  trans-66.1118.7175.200000110.3I317 Y318 S323I317-A325 HydrophobicContact CG2-CB 3.64Å; I317-A325 VanDerWaalsContact CG2-O 3.26Å; I317-A325 WeakPolarHBondContact CG2-O 3.42Å; Y318-A325 WeakPolarHBondContact O-CB 3.26Å; S323-A325 VanDerWaalsContact C-N 3.35Å; S323-A325 PolarHBondContact O-N 2.95Å
326H64.1Low53.5Low132 Ų132107.8 Ų107.861%0.61160%0.603SS**  trans-143.8137.617860.9-78.7000109.5D324 Q328D324-H326 PolarHBondContact O-N 2.9Å; D324-H326 PolarHBondContact O-ND1 3.44Å; H326-Q328 PolarHBondContact O-N 3.01Å
327C70.7Confident51.6Low22 Ų22110 Ų11015%0.14962%0.62CS.*  trans-65.1139.4168177.30000108.5C310 C313 I317 C329C310-C327 HydrophobicContact CB-CB 3.53Å; C313-C327 WeakPolarHBondContact CB-SG 3.2Å; C313-C327 WeakPolarHBondContact SG-CB 3.08Å; C313-C327 CovalentContact SG-SG 2.06Å; C313-C327 PolarHBondContact SG-SG 3.43Å; I317-C327 HydrophobicContact CD1-CB 4.07Å; I317-C327 HydrophobicContact CG1-CB 4.12Å; C327-C329 HydrophobicContact CB-CB 4.3Å; C327-C329 VanDerWaalsContact CB-SG 3.5Å; C327-C329 PolarHBondContact O-N 3.45Å; C327-C329 PolarHBondContact O-SG 3.09Å; C327-C329 VanDerWaalsContact SG-SG 3.67Å
328Q70.6Confident49.6Very low172 Ų172116.3 Ų116.380%0.80465%0.653SS**G310 helixtrans-69.22.7179.5-60.3-176.37.200112.9H326 N330 G331H326-Q328 PolarHBondContact O-N 3.01Å; Q328-N330 PolarHBondContact O-N 2.97Å; Q328-N330 VanDerWaalsContact O-N 3.09Å; Q328-G331 PolarHBondContact O-N 2.06Å
329C67.7Low48.1Very low42 Ų42115.7 Ų115.728%0.28466%0.664SS.*G310 helixtrans-46.5-32.5168.858.90000113.4C310 V312 C313 C327 G331C310-C329 WeakPolarHBondContact CB-SG 3.12Å; C310-C329 WeakPolarHBondContact SG-CB 3.45Å; C310-C329 CovalentContact SG-SG 2.08Å; C310-C329 PolarHBondContact SG-SG 3.05Å; V312-C329 HydrophobicContact CB-CB 3.97Å; V312-C329 HydrophobicContact CG1-CB 4.22Å; C313-C329 HydrophobicContact CB-CB 3.91Å; C327-C329 HydrophobicContact CB-CB 4.3Å; C327-C329 VanDerWaalsContact CB-SG 3.5Å; C327-C329 PolarHBondContact O-N 3.45Å; C327-C329 PolarHBondContact O-SG 3.09Å; C327-C329 VanDerWaalsContact SG-SG 3.67Å; C329-G331 VanDerWaalsContact C-N 3.34Å; C329-G331 PolarHBondContact O-N 3.46Å
330N57.1Low46.8Very low151 Ų151119.2 Ų119.281%0.80768%0.678SS**G310 helixtrans-86.23.3-178-145.411.9000114.5Q328Q328-N330 PolarHBondContact O-N 2.97Å; Q328-N330 VanDerWaalsContact O-N 3.09Å
331G47.5Very low45.6Very low62 Ų62119.9 Ų119.964%0.63970%0.696SS**G310 helixtrans-83.3-10.7-171.600000116.4Q328 C329Q328-G331 PolarHBondContact O-N 2.06Å; C329-G331 VanDerWaalsContact C-N 3.34Å; C329-G331 PolarHBondContact O-N 3.46Å
332K33.9Very low44.5Very low187 Ų187115 Ų11581%0.81369%0.693SS**SBendtrans-142.9120.7179.5-68179.4-177.7173.20110.6
333P33Very low43.6Very low111 Ų111114.8 Ų114.872%0.72169%0.693SS**  trans-64.3141.2163.829.5-33.5000108.9Q335P333-Q335 VanDerWaalsContact C-N 3.31Å; P333-Q335 PolarHBondContact O-N 2.96Å
334A29.9Very low43.1Very low99 Ų99116.6 Ų116.682%0.81870%0.701SS**  trans-67.985.1179.800000111.3T336A334-T336 PolarHBondContact O-N 2.99Å; A334-T336 VanDerWaalsContact O-N 3.11Å
335Q33Very low42.2Very low155 Ų155116 Ų11672%0.72470%0.698SS**  trans-72.999.3168.6-72-170.4-7.100109.1P333 S337P333-Q335 VanDerWaalsContact C-N 3.31Å; P333-Q335 PolarHBondContact O-N 2.96Å; Q335-S337 PolarHBondContact O-N 2.8Å
336T30.2Very low41Very low139 Ų139120.4 Ų120.485%0.85372%0.72SS**  trans-71.459.9162.347.90000110.4A334 I338A334-T336 PolarHBondContact O-N 2.99Å; A334-T336 VanDerWaalsContact O-N 3.11Å; T336-I338 PolarHBondContact O-N 3.11Å
337S31.4Very low39.5Very low90 Ų90118.7 Ų118.763%0.62973%0.728SS**  trans-86.198.6176.656.40000110.1Q335 T339Q335-S337 PolarHBondContact O-N 2.8Å; S337-T339 PolarHBondContact O-N 2.84Å
338I30.5Very low37.7Very low163 Ų163124.2 Ų124.284%0.83676%0.762SS**  trans-68.4109.1171.9-56.2165.3000108.8T336T336-I338 PolarHBondContact O-N 3.11Å
339T33Very low36.1Very low134 Ų134120.8 Ų120.882%0.82275%0.754SS**  trans-179.4143.9138.231.60000113.1S337S337-T339 PolarHBondContact O-N 2.84Å
340N30.6Very low34.3Very low167 Ų167126.7 Ų126.789%0.89378%0.782SS**  trans-59.6148.4-177.6-50.6-36.2000117
341G30Very low32.9Very low84 Ų84123.8 Ų123.887%0.86678%0.779SS**  trans110.6136.2133.500000118.5
342G30.6Very low32.1Very low72 Ų72125.1 Ų125.174%0.74278%0.784SS**  trans128.884161.700000117.6
343D33.8Very low32.2Very low154 Ų154125.4 Ų125.482%0.82479%0.788SS**  trans42.6118.7140.6-55.8-38.5000124.9
344V37.2Very low32Very low117 Ų117127.8 Ų127.871%0.70980%0.795SS**  53.2106.5119.2-175.70000121.5
345D33.5Very low32.1Very low140 Ų140131.7 Ų131.775%0.74980%0.799SS**  172.2121.2109.3-101.3-29.4000109.2
346V33.1Very low31.8Very low135 Ų135132.5 Ų132.582%0.81880%0.802SS**  68.893.774.4-177.60000115.1
347A32.7Very low31.9Very low96 Ų96137.5 Ų137.579%0.79381%0.805SS**  trans-168.2141.1146.700000112.9
348T31.9Very low31.7Very low139 Ų139139 Ų13985%0.85381%0.811SS**  trans-164.1-179.9173.23.10000107.1
349P37.6Very low31.9Very low99 Ų99136.1 Ų136.164%0.64380%0.803SS**  cis-133.4-154.2-16.826.10.4000112
350L29.1Very low31.6Very low166 Ų166136.6 Ų136.687%0.86981%0.806SS**  trans74.3159.6159.7-56.4168000116.3
351A28.7Very low31.7Very low90 Ų90132.6 Ų132.674%0.74480%0.804SS**  cis-176.8167.4-1900000108
352A30.8Very low31.7Very low90 Ų90132.8 Ų132.874%0.74481%0.806SS**  cis-173.2-158.6-25.700000108.5
353E35.5Very low31.3Very low193 Ų193134.6 Ų134.690%0.90281%0.806SS**  trans87.4147.7163-52.5-162122.100120.8
354D28.2Very low31.2Very low162 Ų162135.5 Ų135.587%0.86681%0.81SS**  trans-96.7169.6-165.2-51.9-98000115.3
355M33.1Very low30.6Very low181 Ų181136.3 Ų136.389%0.89282%0.815SS**  trans-156.1115.5149.8-172124.15600113.2
356E26.6Very low30.5Very low172 Ų172135.4 Ų135.480%0.80482%0.82SS**  trans-69.5150.4167.6-71.5-1787200113.1
357R31.3Very low30.3Very low243 Ų243134.5 Ų134.592%0.91782%0.819SS**  trans-169.4119.2134.2-109.8169-163.1171.68.5115.5
358T27.4Very low30.1Very low122 Ų122138.4 Ų138.475%0.74883%0.826SS**  trans-92.8-172.415222.10000109.5
359P35.2Very low29.9Very low103 Ų103135 Ų13567%0.66982%0.819SS**  cis-136.5-168.3-5.124.12.3000115.2
360T27.5Very low29.4Very low143 Ų143136.9 Ų136.988%0.87783%0.829SS**  trans82127.3150.963.70000121.7
361G31.2Very low29.3Very low83 Ų83138.5 Ų138.586%0.85683%0.829SS**  trans140.7117.9138.800000117.6
362G30.7Very low29.3Very low88 Ų88139.4 Ų139.491%0.90783%0.827SS**  trans102.3109.7154.100000117.4
363C22.5Very low29.1Very low111 Ų111144.5 Ų144.575%0.7584%0.835SS**  trans-105.6132.9165.8177.10000109.6
364L30.7Very low28.8Very low173 Ų173141.4 Ų141.491%0.90683%0.83SS**  trans-136.9128.5163-76.9178.8000110
365V25.6Very low28.6Very low133 Ų133143.6 Ų143.681%0.80683%0.832SS**  trans-90.4135.7178177.30000109.4
366S30.3Very low28.5Very low121 Ų121142.7 Ų142.785%0.84683%0.829SS**  trans-127.6143.4169.9-77.70000110.7
367S29.1Very low28.6Very low116 Ų116139.7 Ų139.781%0.81183%0.827SS**PPolyproline II helixtrans-90.1135.9-161.353.70000114.9
368L29Very low28.2Very low178 Ų178133.4 Ų133.493%0.93282%0.82SS**PPolyproline II helixtrans-63.5128.2167-80.6160000111.6
369G28Very low28.4Very low68 Ų68133 Ų13370%0.70182%0.82SS**PPolyproline II helixtrans-85.9129179.300000113.1
370T26.2Very low28Very low139 Ų139134.3 Ų134.385%0.85383%0.826SS**PPolyproline II helixtrans-79.4125.9176.7-52.50000111.7
371F27.2Very low28.3Very low200 Ų200136.9 Ų136.988%0.87783%0.828SS**PPolyproline II helixtrans-98.2130.8167.2-94.6-86.2000111.4
372P28.8Very low28.1Very low109 Ų109139.2 Ų139.271%0.70883%0.825SS**PPolyproline II helixtrans-84.2131.8179.832.1-33.4000112.3T374P372-T374 PolarHBondContact O-N 3.4Å
373Q27.7Very low28.2Very low196 Ų196139.1 Ų139.192%0.91682%0.816SS**PPolyproline II helixtrans-72.8126.2167.9-76.7-165.82.400111.5
374T27.7Very low28.7Very low129 Ų129141.3 Ų141.379%0.79182%0.821SS**PPolyproline II helixtrans-83.3123.4166.236.80000110.6P372 I376P372-T374 PolarHBondContact O-N 3.4Å; T374-I376 PolarHBondContact O-N 3.22Å
375K24.8Very low28.7Very low207 Ų207141.3 Ų141.390%0.982%0.816SS**PPolyproline II helixtrans-62.4125.8171-79-179.2173.3177.80110.5
376I31.4Very low29.3Very low162 Ų162142.7 Ų142.783%0.83182%0.817SS**  trans-104132.6159.4-61179.6000107.4T374T374-I376 PolarHBondContact O-N 3.22Å
377S28.8Very low29.4Very low110 Ų110143.7 Ų143.777%0.76981%0.813SS**PPolyproline II helixtrans-82.1136.4-174.8-61.10000111.5
378S23.3Very low29.6Very low110 Ų110143.2 Ų143.277%0.76981%0.809SS**PPolyproline II helixtrans-76.3136.6171-169.90000110.8
379P29.9Very low29.9Very low115 Ų115142.6 Ų142.675%0.74781%0.806SS**PPolyproline II helixtrans-72.2156.7156.632.2-31.2000110
380V28.3Very low30.1Very low130 Ų130144.7 Ų144.779%0.78881%0.807SS**PPolyproline II helixtrans-97.2135.3175.61700000109.3
381E32.8Very low30.4Very low196 Ų196147.5 Ų147.592%0.91681%0.81SS**  trans-148.9160.3156.7-129.6169.7-175.200111
382T28.2Very low30.7Very low132 Ų132147.8 Ų147.881%0.8181%0.811SS**  trans-136.2107.3-151.3-47.10000113.2
383A32.6Very low30.9Very low86 Ų86151.9 Ų151.971%0.71182%0.821SS**  trans-178.1149.2163.300000108.6
384D32.9Very low31.2Very low158 Ų158146.9 Ų146.985%0.84581%0.813SS**  cis-153.2177.4-16.2-120-44.4000109.3
385Q30.5Very low31.6Very low173 Ų173146.7 Ų146.781%0.80881%0.811SS**  trans-85.9-164.8-179.5-59.2-176.2600113.2
386I38.4Very low32.3Very low161 Ų161145.5 Ų145.583%0.82681%0.806SS**  trans85.5126170.7-52.8159.5000113.4
387D32.2Very low32.5Very low142 Ų142144.3 Ų144.376%0.75980%0.801SS**  cis-143.1166.5-2.1-143-26000112.7
388S33.2Very low33Very low106 Ų106142.9 Ų142.974%0.74180%0.796SS**  trans-122.9112.8171.8-700000110.9P390S388-P390 WeakPolarHBondContact O-CD 3.13Å
389I34.7Very low33.8Very low166 Ų166146.2 Ų146.285%0.85180%0.8SS**PPolyproline II helixtrans-73.1120-179.4-58.1176.1000110.2
390P32.5Very low34.3Very low111 Ų111144.6 Ų144.672%0.72180%0.796SS**PPolyproline II helixtrans-84.7142.117833.5-33.4000112.2S388S388-P390 WeakPolarHBondContact O-CD 3.13Å
391Q33.6Very low35Very low199 Ų199146.1 Ų146.193%0.9380%0.8SS**PPolyproline II helixtrans-70.3154.1165-71.6-177.5-64.900111.1
392K33.3Very low35.3Very low205 Ų205141.3 Ų141.389%0.89179%0.788SS**  trans-132.595-170.8-175.9-174.4179.1-178.40111.5
393E32.6Very low35.9Very low196 Ų196140.1 Ų140.192%0.91678%0.78SS**  trans-119.5133.1166.3-67.7-164.9126.300109.9
394A34.3Very low36.2Very low90 Ų90144.5 Ų144.574%0.74478%0.783SS**  trans-163.2146.1174.200000114.9
395V36.3Very low36.6Very low126 Ų126145.3 Ų145.376%0.76478%0.782SS**  trans76.1113.2156.7-1480000120.2
396K38Very low37Very low182 Ų182141.9 Ų141.979%0.79178%0.784SS**  trans144.8135.4133-77.9172.5-175.71760109.8
397N36.3Very low37Very low136 Ų136139.1 Ų139.173%0.72779%0.785SS**  cis-160151.7-4-103.6-10.8000110.6
398A39.2Very low37.2Very low81 Ų81138.7 Ų138.767%0.66979%0.792SS**  trans35.1153.3131.300000122.3
399Q40.4Very low37.3Very low180 Ų180139.1 Ų139.184%0.84179%0.794SS**  cis-170.8153.66-134167.5-98.300113
400A39.8Very low37.7Very low81 Ų81136.9 Ų136.967%0.66979%0.79SS**  trans60.1156.9144.500000121.2
401D42.3Very low38Very low161 Ų161140.5 Ų140.586%0.86180%0.795SS**  cis-152.9-178.2-6-138.3-47.2000113.5
402S39.5Very low38.4Very low95 Ų95139.6 Ų139.666%0.66479%0.79SS**  trans-82.5173.3-171.9-149.10000115.5
403T41.8Very low38.7Very low107 Ų107133.4 Ų133.466%0.65678%0.778SS**  178.8116.585.2-67.10000115
404K39.1Very low39Very low178 Ų178129.3 Ų129.377%0.77477%0.771SS**  trans58.3168.4148.8-53.5169.3-170.9166.30118.5
405Q40.5Very low39.5Very low175 Ų175133.7 Ų133.782%0.81878%0.778SS**  cis-158.6160.29.6-151.5163.8-9.600113.6
406A39.5Very low40.1Very low102 Ų102132.6 Ų132.684%0.84377%0.773SS**  trans70.7166.715900000120.1
407A38.6Very low40.3Very low103 Ų103134.6 Ų134.685%0.85178%0.776SS**  trans-159.5158-166.700000114.1
408C36.1Very low40.8Very low133 Ų133135.3 Ų135.390%0.89978%0.775SS**  trans-167.7154.8141.6-150.60000114.1
409S35.8Very low41.2Very low114 Ų114137.9 Ų137.980%0.79778%0.778SS**  trans-57.3173.7-169.2-59.50000120.6
410P43.3Very low41.4Very low119 Ų119133 Ų13377%0.77378%0.775SS**  trans-116.9174.4-162.543.3-34.2000116.3
411K38.9Very low41.6Very low188 Ų188137.2 Ų137.282%0.81779%0.787SS**  trans178.9143.8139.1-106.6172.1-176.9-178.70115.5
412H40.5Very low41.8Very low180 Ų180132.3 Ų132.383%0.83377%0.774SS**  trans60.1162.2164.4-76.1-110.4000118.2
413A39.8Very low42.4Very low75 Ų75134.5 Ų134.562%0.6278%0.784SS**  cis-169.1154.7-35.700000111.2
414S39.2Very low43Very low110 Ų110138.9 Ų138.977%0.76982%0.819SS**  trans64.3107.6151.8-58.40000123.1
415M44.5Very low43.2Very low181 Ų181137 Ų13789%0.89282%0.821SS**  trans80.7153.8131.9-66.6-160.87600122.8
416P48.7Very low43.4Very low104 Ų104134.9 Ų134.968%0.67582%0.821SS**  trans-130158-160.441.7-24.7000116.3
417W43.1Very low43.6Very low223 Ų223136.8 Ų136.885%0.84582%0.82SS**  trans-163.7136.9159.538.2-75.5000112.2
418E46.1Very low43.9Very low152 Ų152138.8 Ų138.871%0.7182%0.818SS**  trans52152.4139-59.6-166.6117.500121.5
419N47.3Very low44.4Very low135 Ų135139.1 Ų139.172%0.72281%0.813SS**  cis-163.7153.5-15-101.3-17000109.3
420G45.1Very low44.9Very low77 Ų77140.8 Ų140.879%0.79481%0.814SS**  trans70.8176.3160.900000117.4
421D43.2Very low45.1Very low170 Ų170142.4 Ų142.491%0.90982%0.817SS**  cis-159154.8-14-153.6-10.2000110.9
422G47.8Very low45.5Very low57 Ų57138.8 Ų138.859%0.58882%0.817SS**  trans70.5163.417400000117.1
423T52.4Low46Very low142 Ų142135.4 Ų135.487%0.87182%0.816SS**  cis-160.5154-6.76.90000110
424S54.4Low46.5Very low199 Ų199140.9 Ų140.9100%1.39283%0.833SS**  trans73.70176.4-64.80000116.7

Retrieved 424 of 424 residues in 592.3 ms (Link to these results)