A0A087X3B3_POEFO Loading...

Palmdelphin

AlphaFold DB , UniProt , Accession A0A087X3B3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 557 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
1M61.1Low90.7Very high195 Ų195101 Ų10196%0.96150%0.502SS*.  0-67.80-171.3170.9-75.800108E3 A4 D5M1-E3 VanDerWaalsContact C-N 3.28Å; M1-E3 PolarHBondContact O-N 2.98Å; M1-E3 VanDerWaalsContact O-N 3.14Å; M1-A4 WeakPolarHBondContact O-CB 3.24Å; M1-A4 PolarHBondContact O-N 3.35Å; M1-D5 PolarHBondContact O-N 3.02Å
2E84.6Confident91.3Very high139 Ų139101.1 Ų101.165%0.6550%0.5SS*.Hα-helixtrans-39.1-48.4172.1-170.9160.8-151.100115A4 D5 L6E2-A4 VanDerWaalsContact C-N 3.34Å; E2-A4 PolarHBondContact O-N 3.33Å; E2-D5 PolarHBondContact O-N 3.13Å; E2-D5 VanDerWaalsContact O-N 3.17Å; E2-L6 HydrophobicContact CG-CD1 4.32Å; E2-L6 WeakPolarHBondContact O-CG 3.26Å; E2-L6 PolarHBondContact O-N 3Å
3E88.4Confident91.8Very high90 Ų9094.5 Ų94.542%0.42147%0.471SS..Hα-helixtrans-49.6-46.5172.7-167.3-164.2153.300114.3M1 L6 L7 V115M1-E3 VanDerWaalsContact C-N 3.28Å; M1-E3 PolarHBondContact O-N 2.98Å; M1-E3 VanDerWaalsContact O-N 3.14Å; E3-L6 PolarHBondContact O-N 3.14Å; E3-L7 WeakPolarHBondContact O-CG 3.28Å; E3-L7 PolarHBondContact O-N 3.36Å; E3-V115 HydrophobicContact CB-CG1 3.73Å; E3-V115 HydrophobicContact CG-CG1 4.21Å
4A90.9Very high92.3Very high63 Ų6390.5 Ų90.552%0.52145%0.452SS..Hα-helixtrans-73.2-30.2-177.300000112.2M1 E2 K8M1-A4 WeakPolarHBondContact O-CB 3.24Å; M1-A4 PolarHBondContact O-N 3.35Å; E2-A4 VanDerWaalsContact C-N 3.34Å; E2-A4 PolarHBondContact O-N 3.33Å; A4-K8 WeakPolarHBondContact O-CB 3.27Å; A4-K8 PolarHBondContact O-N 3.27Å; A4-K8 VanDerWaalsContact O-N 3.12Å
5D94.3Very high92.7Very high91 Ų9189.1 Ų89.149%0.48745%0.45SS..Hα-helixtrans-72.7-39.1173.1-68.7-56.4000111.1M1 E2 K8 E9M1-D5 PolarHBondContact O-N 3.02Å; E2-D5 PolarHBondContact O-N 3.13Å; E2-D5 VanDerWaalsContact O-N 3.17Å; D5-K8 WeakPolarHBondContact O-CB 3.3Å; D5-K8 PolarHBondContact O-N 3.11Å; D5-E9 PolarHBondContact O-N 3.07Å
6L95.1Very high93Very high14 Ų1486.3 Ų86.37%0.07344%0.436CS..Hα-helixtrans-64.4-43.3171.7-70.6168.3000112.2E2 E3 K8 E9 R10 V108 R111 L112 V115E2-L6 HydrophobicContact CG-CD1 4.32Å; E2-L6 WeakPolarHBondContact O-CG 3.26Å; E2-L6 PolarHBondContact O-N 3Å; E3-L6 PolarHBondContact O-N 3.14Å; L6-K8 VanDerWaalsContact C-N 3.26Å; L6-K8 PolarHBondContact O-N 3.24Å; L6-E9 PolarHBondContact O-N 3.23Å; L6-R10 PolarHBondContact O-N 3.36Å; L6-V108 HydrophobicContact CB-CG1 4.2Å; L6-V108 HydrophobicContact CD2-CG1 4.18Å; L6-V108 WeakPolarHBondContact O-CG1 3.39Å; L6-R111 HydrophobicContact CD1-CB 3.92Å; L6-R111 HydrophobicContact CD2-CB 4.04Å; L6-L112 HydrophobicContact CB-CD2 3.53Å; L6-L112 HydrophobicContact CB-CG 3.88Å; L6-L112 HydrophobicContact CD1-CD2 4.42Å; L6-V115 HydrophobicContact CD1-CG2 4.18Å
7L95.4Very high93.3Very high76 Ų7684.1 Ų84.140%0.39842%0.423SS..Hα-helixtrans-59.4-40174.7-76.5173.1000111.3E3 R10 L11 L112E3-L7 WeakPolarHBondContact O-CG 3.28Å; E3-L7 PolarHBondContact O-N 3.36Å; L7-R10 PolarHBondContact O-N 2.97Å; L7-L11 WeakPolarHBondContact O-CB 3.49Å; L7-L11 VanDerWaalsContact O-CG 3.29Å; L7-L11 WeakPolarHBondContact O-CG 3.42Å; L7-L11 PolarHBondContact O-N 3.36Å; L7-L112 HydrophobicContact CD2-CD1 3.99Å; L7-L112 HydrophobicContact CD2-CD2 3.82Å; L7-L112 HydrophobicContact CG-CD2 3.73Å
8K96.3Very high93.6Very high145 Ų14588.3 Ų88.363%0.6343%0.433SS*.Hα-helixtrans-67.9-39.9175.6-179.8-175.5172.4-168.10112.5A4 D5 L6 L11 Q12A4-K8 WeakPolarHBondContact O-CB 3.27Å; A4-K8 PolarHBondContact O-N 3.27Å; A4-K8 VanDerWaalsContact O-N 3.12Å; D5-K8 WeakPolarHBondContact O-CB 3.3Å; D5-K8 PolarHBondContact O-N 3.11Å; L6-K8 VanDerWaalsContact C-N 3.26Å; L6-K8 PolarHBondContact O-N 3.24Å; K8-L11 PolarHBondContact O-N 3.06Å; K8-Q12 WeakPolarHBondContact O-CB 3.47Å; K8-Q12 PolarHBondContact O-N 3.32Å
9E96.4Very high93.9Very high99 Ų9990.6 Ų90.646%0.46344%0.437SS..Hα-helixtrans-61.4-44.4173.6-168.8177.9-175.200111D5 L6 Q12 A13 V108D5-E9 PolarHBondContact O-N 3.07Å; L6-E9 PolarHBondContact O-N 3.23Å; E9-Q12 WeakPolarHBondContact O-CB 3.48Å; E9-Q12 PolarHBondContact O-N 3.44Å; E9-A13 PolarHBondContact O-N 3.26Å; E9-V108 HydrophobicContact CB-CG1 4.34Å; E9-V108 HydrophobicContact CB-CG2 4.37Å; E9-V108 HydrophobicContact CG-CG2 3.88Å
10R97Very high94.1Very high86 Ų8686.4 Ų86.433%0.32542%0.416SS..Hα-helixtrans-61.5-46.9175-166.8-169.8168.2-160.7-3.3112.3L6 L7 Q12 A13 I14 E105 V108 L112L6-R10 PolarHBondContact O-N 3.36Å; L7-R10 PolarHBondContact O-N 2.97Å; R10-Q12 VanDerWaalsContact C-N 3.26Å; R10-Q12 PolarHBondContact O-N 2.61Å; R10-A13 WeakPolarHBondContact O-CB 3.19Å; R10-A13 PolarHBondContact O-N 2.98Å; R10-A13 VanDerWaalsContact O-N 3.15Å; R10-I14 HydrophobicContact CG-CD1 4.1Å; R10-I14 WeakPolarHBondContact O-CG1 3.3Å; R10-I14 PolarHBondContact O-N 2.94Å; R10-E105 HydrophobicContact CG-CG 3.74Å; R10-E105 IonicContact CZ-OE1 3.72Å; R10-E105 IonicContact NE-OE1 3.03Å; R10-E105 PolarHBondContact NE-OE1 2.89Å; R10-E105 IonicContact NH2-OE1 3.46Å; R10-E105 PolarHBondContact NH2-OE1 3.26Å; R10-V108 HydrophobicContact CB-CG1 3.88Å; R10-L112 HydrophobicContact CB-CD1 4.31Å
11L97.9Very high94.3Very high113 Ų11386.2 Ų86.259%0.59242%0.415SS*.Hα-helixtrans-61.5-35177.5-74169.1000112.2L7 K8 T15L7-L11 WeakPolarHBondContact O-CB 3.49Å; L7-L11 VanDerWaalsContact O-CG 3.29Å; L7-L11 WeakPolarHBondContact O-CG 3.42Å; L7-L11 PolarHBondContact O-N 3.36Å; K8-L11 PolarHBondContact O-N 3.06Å; L11-T15 WeakPolarHBondContact O-CB 3.43Å; L11-T15 PolarHBondContact O-N 3.21Å; L11-T15 VanDerWaalsContact O-N 3.09Å; L11-T15 PolarHBondContact O-OG1 3.41Å
12Q98Very high96.1Very high102 Ų10283.3 Ų83.348%0.47740%0.399SS..Hα-helixtrans-66.5-45.9172.6-17461.749.300111.4K8 E9 R10 I14 T15 D16K8-Q12 WeakPolarHBondContact O-CB 3.47Å; K8-Q12 PolarHBondContact O-N 3.32Å; E9-Q12 WeakPolarHBondContact O-CB 3.48Å; E9-Q12 PolarHBondContact O-N 3.44Å; R10-Q12 VanDerWaalsContact C-N 3.26Å; R10-Q12 PolarHBondContact O-N 2.61Å; Q12-I14 PolarHBondContact O-N 2.81Å; Q12-T15 WeakPolarHBondContact O-CB 3.2Å; Q12-T15 PolarHBondContact O-N 3.02Å; Q12-T15 VanDerWaalsContact O-N 3.13Å; Q12-D16 PolarHBondContact NE2-OD2 2.9Å; Q12-D16 PolarHBondContact O-N 3Å
13A98.1Very high96.8Very high16 Ų1679.7 Ų79.713%0.13238%0.384CS..Hα-helixtrans-58.9-46.7177.100000112.3E9 R10 T15 D16 K17 I101 E105E9-A13 PolarHBondContact O-N 3.26Å; R10-A13 WeakPolarHBondContact O-CB 3.19Å; R10-A13 PolarHBondContact O-N 2.98Å; R10-A13 VanDerWaalsContact O-N 3.15Å; A13-T15 VanDerWaalsContact C-N 3.29Å; A13-T15 PolarHBondContact O-N 3.41Å; A13-D16 PolarHBondContact O-N 3.12Å; A13-K17 VanDerWaalsContact O-CB 3.23Å; A13-K17 WeakPolarHBondContact O-CB 3.33Å; A13-K17 PolarHBondContact O-N 3.01Å; A13-I101 HydrophobicContact CB-CG2 4.08Å; A13-I101 WeakPolarHBondContact O-CG2 3.41Å; A13-E105 HydrophobicContact CB-CB 4.09Å; A13-E105 HydrophobicContact CB-CG 4.23Å
14I98Very high97.2Very high38 Ų3875.8 Ų75.820%0.19537%0.366CS..Hα-helixtrans-58.7-41.3174.6-66.5165.6000111R10 Q12 R18 E105R10-I14 HydrophobicContact CG-CD1 4.1Å; R10-I14 WeakPolarHBondContact O-CG1 3.3Å; R10-I14 PolarHBondContact O-N 2.94Å; Q12-I14 PolarHBondContact O-N 2.81Å; I14-R18 WeakPolarHBondContact O-CG 3.36Å; I14-R18 PolarHBondContact O-N 2.97Å; I14-E105 VanDerWaalsContact CG1-OE1 3.31Å; I14-E105 WeakPolarHBondContact CG1-OE1 3.3Å
15T98.3Very high97.6Very high69 Ų6975.5 Ų75.542%0.42336%0.364SS..Hα-helixtrans-67.3-45.7-179.2-59.50000112L11 Q12 A13 R18 R19L11-T15 WeakPolarHBondContact O-CB 3.43Å; L11-T15 PolarHBondContact O-N 3.21Å; L11-T15 VanDerWaalsContact O-N 3.09Å; L11-T15 PolarHBondContact O-OG1 3.41Å; Q12-T15 WeakPolarHBondContact O-CB 3.2Å; Q12-T15 PolarHBondContact O-N 3.02Å; Q12-T15 VanDerWaalsContact O-N 3.13Å; A13-T15 VanDerWaalsContact C-N 3.29Å; A13-T15 PolarHBondContact O-N 3.41Å; T15-R18 PolarHBondContact O-N 3.17Å; T15-R19 PolarHBondContact O-N 3.32Å; T15-R19 VanDerWaalsContact O-N 3.14Å
16D98.2Very high97.8Very high44 Ų4477.8 Ų77.824%0.23537%0.369CS..Hα-helixtrans-73.1-31.7179-74-39.4000112.4Q12 A13 R19 I20 I101Q12-D16 PolarHBondContact NE2-OD2 2.9Å; Q12-D16 PolarHBondContact O-N 3Å; A13-D16 PolarHBondContact O-N 3.12Å; D16-R19 PolarHBondContact O-N 3.46Å; D16-R19 IonicContact OD1-CZ 3.9Å; D16-R19 IonicContact OD1-NH1 2.84Å; D16-R19 PolarHBondContact OD1-NH1 3.42Å; D16-I20 WeakPolarHBondContact O-CD1 3.34Å; D16-I20 VanDerWaalsContact O-CG1 3.3Å; D16-I20 WeakPolarHBondContact O-CG1 3.35Å; D16-I20 PolarHBondContact O-N 3.47Å; D16-I101 HydrophobicContact CB-CD1 4.35Å
17K98.3Very high98Very high50 Ų5079.1 Ų79.122%0.21738%0.375CS..Hα-helixtrans-59.3-51170.3178166.4179.8169.60111.4A13 R19 I20 Q21 E98 I101 S102A13-K17 VanDerWaalsContact O-CB 3.23Å; A13-K17 WeakPolarHBondContact O-CB 3.33Å; A13-K17 PolarHBondContact O-N 3.01Å; K17-R19 PolarHBondContact O-N 2.93Å; K17-I20 PolarHBondContact O-N 2.76Å; K17-I20 VanDerWaalsContact O-N 3.1Å; K17-Q21 WeakPolarHBondContact O-CG 3.5Å; K17-Q21 PolarHBondContact O-N 2.78Å; K17-E98 HydrophobicContact CD-CG 4.43Å; K17-E98 VanDerWaalsContact CE-OE1 3.25Å; K17-E98 WeakPolarHBondContact CE-OE1 3.26Å; K17-E98 HydrophobicContact CG-CG 3.86Å; K17-I101 HydrophobicContact CB-CG2 4.05Å; K17-S102 WeakPolarHBondContact CE-OG 3.07Å; K17-S102 PolarHBondContact NZ-OG 3.42Å
18R98.3Very high98.2Very high160 Ų16082.1 Ų82.160%0.60438%0.381SS*.Hα-helixtrans-57.6-44.8176.2-73.6174.9-179.2-168.7-0.1112.3I14 T15 I20 Q21 E22I14-R18 WeakPolarHBondContact O-CG 3.36Å; I14-R18 PolarHBondContact O-N 2.97Å; T15-R18 PolarHBondContact O-N 3.17Å; R18-I20 VanDerWaalsContact C-N 3.29Å; R18-I20 PolarHBondContact O-N 2.75Å; R18-Q21 WeakPolarHBondContact O-CB 3.49Å; R18-Q21 PolarHBondContact O-N 3.24Å; R18-E22 WeakPolarHBondContact O-CG 3.4Å; R18-E22 PolarHBondContact O-N 3.39Å
19R98.6Very high98.3Very high132 Ų13284.7 Ų84.750%0.49839%0.386SS..Hα-helixtrans-58.6-39.7175.4-175.7-176.5-66.1136.95.1112.4T15 D16 K17 E22 D23T15-R19 PolarHBondContact O-N 3.32Å; T15-R19 VanDerWaalsContact O-N 3.14Å; D16-R19 PolarHBondContact O-N 3.46Å; D16-R19 IonicContact OD1-CZ 3.9Å; D16-R19 IonicContact OD1-NH1 2.84Å; D16-R19 PolarHBondContact OD1-NH1 3.42Å; K17-R19 PolarHBondContact O-N 2.93Å; R19-E22 PolarHBondContact O-N 3.21Å; R19-D23 PolarHBondContact O-N 3.4Å
20I98.6Very high98.4Very high5 Ų583.7 Ų83.73%0.02638%0.382CS..Hα-helixtrans-69.8-40.5178.7-71.8160.6000111.1D16 K17 R18 E22 D23 I24 L94 K97 E98 I101D16-I20 WeakPolarHBondContact O-CD1 3.34Å; D16-I20 VanDerWaalsContact O-CG1 3.3Å; D16-I20 WeakPolarHBondContact O-CG1 3.35Å; D16-I20 PolarHBondContact O-N 3.47Å; K17-I20 PolarHBondContact O-N 2.76Å; K17-I20 VanDerWaalsContact O-N 3.1Å; R18-I20 VanDerWaalsContact C-N 3.29Å; R18-I20 PolarHBondContact O-N 2.75Å; I20-E22 VanDerWaalsContact C-N 3.32Å; I20-E22 PolarHBondContact O-N 2.67Å; I20-D23 PolarHBondContact O-N 3.14Å; I20-I24 HydrophobicContact CG2-CD1 3.72Å; I20-I24 HydrophobicContact CG2-CG1 4.35Å; I20-I24 WeakPolarHBondContact O-CB 3.09Å; I20-I24 VanDerWaalsContact O-CG1 3.26Å; I20-I24 WeakPolarHBondContact O-CG1 3.41Å; I20-I24 PolarHBondContact O-N 2.96Å; I20-L94 HydrophobicContact CG2-CB 4.16Å; I20-L94 HydrophobicContact CG2-CD2 4.31Å; I20-L94 WeakPolarHBondContact CG2-O 3.27Å; I20-K97 HydrophobicContact CD1-CD 3.64Å; I20-K97 HydrophobicContact CD1-CG 3.92Å; I20-K97 HydrophobicContact CG1-CD 4.33Å; I20-E98 HydrophobicContact CG2-CB 3.91Å; I20-E98 HydrophobicContact CG2-CG 4.3Å; I20-I101 HydrophobicContact CD1-CD1 3.26Å
21Q98.6Very high98.5Very high84 Ų8480 Ų8039%0.39337%0.368SS..Hα-helixtrans-59.7-41.3172.8-68.4173-18.300111.8K17 R18 I24 A25 E98K17-Q21 WeakPolarHBondContact O-CG 3.5Å; K17-Q21 PolarHBondContact O-N 2.78Å; R18-Q21 WeakPolarHBondContact O-CB 3.49Å; R18-Q21 PolarHBondContact O-N 3.24Å; Q21-I24 PolarHBondContact O-N 3.03Å; Q21-A25 WeakPolarHBondContact O-CB 3.48Å; Q21-A25 PolarHBondContact O-N 3.5Å; Q21-E98 HydrophobicContact CG-CG 4.43Å; Q21-E98 WeakPolarHBondContact CG-OE1 3.48Å; Q21-E98 WeakPolarHBondContact CG-OE2 3.39Å; Q21-E98 PolarHBondContact NE2-OE1 3.47Å
22E98.6Very high98.5Very high133 Ų13379.6 Ų79.662%0.62136%0.363SS*.Hα-helixtrans-61.6-46.2173.1-71.5169.7-159.200112.3R18 R19 I20 A25 K26R18-E22 WeakPolarHBondContact O-CG 3.4Å; R18-E22 PolarHBondContact O-N 3.39Å; R19-E22 PolarHBondContact O-N 3.21Å; I20-E22 VanDerWaalsContact C-N 3.32Å; I20-E22 PolarHBondContact O-N 2.67Å; E22-A25 PolarHBondContact O-N 3.1Å; E22-K26 VanDerWaalsContact O-CB 3.23Å; E22-K26 WeakPolarHBondContact O-CB 3.25Å; E22-K26 PolarHBondContact O-N 2.96Å
23D98.6Very high98.5Very high64 Ų6479.7 Ų79.734%0.34236%0.364SS..Hα-helixtrans-66.3-36.6177.1-87.3-34.6000112.5R19 I20 K26 K27 L94R19-D23 PolarHBondContact O-N 3.4Å; I20-D23 PolarHBondContact O-N 3.14Å; D23-K26 PolarHBondContact O-N 2.92Å; D23-K27 WeakPolarHBondContact O-CG 3.26Å; D23-K27 PolarHBondContact O-N 3Å; D23-L94 HydrophobicContact CB-CD1 4.01Å
24I98.8Very high98.6Very high8 Ų879.6 Ų79.64%0.04136%0.36CS..Hα-helixtrans-62.8-51.7172.5-70.9161.3000110.1I20 Q21 K26 K27 R28 I91 L94 E95I20-I24 HydrophobicContact CG2-CD1 3.72Å; I20-I24 HydrophobicContact CG2-CG1 4.35Å; I20-I24 WeakPolarHBondContact O-CB 3.09Å; I20-I24 VanDerWaalsContact O-CG1 3.26Å; I20-I24 WeakPolarHBondContact O-CG1 3.41Å; I20-I24 PolarHBondContact O-N 2.96Å; Q21-I24 PolarHBondContact O-N 3.03Å; I24-K26 VanDerWaalsContact C-N 3.25Å; I24-K26 PolarHBondContact O-N 3.03Å; I24-K27 PolarHBondContact O-N 3.04Å; I24-K27 VanDerWaalsContact O-N 3.15Å; I24-R28 HydrophobicContact CG2-CG 4.31Å; I24-R28 WeakPolarHBondContact O-CG 3.45Å; I24-R28 PolarHBondContact O-N 2.95Å; I24-I91 HydrophobicContact CG2-CG2 4.17Å; I24-L94 HydrophobicContact CD1-CB 3.99Å; I24-L94 HydrophobicContact CG1-CB 3.59Å; I24-L94 HydrophobicContact CG1-CD1 4.1Å; I24-E95 HydrophobicContact CD1-CG 3.71Å; I24-E95 HydrophobicContact CG1-CG 4.29Å
25A98.8Very high98.6Very high56 Ų5681.7 Ų81.746%0.46337%0.368SS..Hα-helixtrans-59.5-37.9179.300000112.1Q21 E22 R29Q21-A25 WeakPolarHBondContact O-CB 3.48Å; Q21-A25 PolarHBondContact O-N 3.5Å; E22-A25 PolarHBondContact O-N 3.1Å; A25-R29 PolarHBondContact O-N 3.12Å
26K98.8Very high98.6Very high140 Ų14083.8 Ų83.861%0.60938%0.376SS*.Hα-helixtrans-66.1-43174.6-178-179.5175.6-173.20112.7E22 D23 I24 R29 Q30E22-K26 VanDerWaalsContact O-CB 3.23Å; E22-K26 WeakPolarHBondContact O-CB 3.25Å; E22-K26 PolarHBondContact O-N 2.96Å; D23-K26 PolarHBondContact O-N 2.92Å; I24-K26 VanDerWaalsContact C-N 3.25Å; I24-K26 PolarHBondContact O-N 3.03Å; K26-R29 PolarHBondContact O-N 3.42Å; K26-Q30 PolarHBondContact O-N 3.48Å
27K98.8Very high98.6Very high42 Ų4285.3 Ų85.318%0.18338%0.381CS..Hα-helixtrans-67.5-40.4174.3-76.1-174.5-171.1-64.40112.7D23 I24 R29 Q30 I31 I87 E90 I91 L94D23-K27 WeakPolarHBondContact O-CG 3.26Å; D23-K27 PolarHBondContact O-N 3Å; I24-K27 PolarHBondContact O-N 3.04Å; I24-K27 VanDerWaalsContact O-N 3.15Å; K27-R29 VanDerWaalsContact C-N 3.3Å; K27-R29 PolarHBondContact O-N 3.46Å; K27-Q30 WeakPolarHBondContact O-CA 3.17Å; K27-Q30 WeakPolarHBondContact O-CB 3.37Å; K27-Q30 PolarHBondContact O-N 2.96Å; K27-I31 PolarHBondContact O-N 3.35Å; K27-I87 HydrophobicContact CB-CG2 3.77Å; K27-I87 HydrophobicContact CD-CG2 4.32Å; K27-I87 HydrophobicContact CG-CG2 4.1Å; K27-E90 HydrophobicContact CD-CB 3.88Å; K27-E90 IonicContact NZ-OE2 3.56Å; K27-E90 PolarHBondContact NZ-OE2 3.22Å; K27-I91 HydrophobicContact CB-CD1 3.73Å; K27-I91 HydrophobicContact CB-CG1 3.45Å; K27-I91 VanDerWaalsContact CB-CG1 3.45Å; K27-I91 HydrophobicContact CD-CG1 3.87Å; K27-I91 HydrophobicContact CG-CG1 4.33Å; K27-L94 HydrophobicContact CD-CD1 3.86Å
28R98.6Very high98.6Very high139 Ų13983.9 Ų83.953%0.52538%0.376SS..Hα-helixtrans-57.5-44.1173.5-71.8178179.3-168.40.9110.6I24 Q30 I31 E32 I91 E95I24-R28 HydrophobicContact CG2-CG 4.31Å; I24-R28 WeakPolarHBondContact O-CG 3.45Å; I24-R28 PolarHBondContact O-N 2.95Å; R28-Q30 PolarHBondContact O-N 2.85Å; R28-I31 PolarHBondContact O-N 3.28Å; R28-E32 PolarHBondContact O-N 2.88Å; R28-I91 HydrophobicContact CB-CD1 4.49Å; R28-I91 HydrophobicContact CG-CD1 3.73Å; R28-E95 IonicContact CZ-OE1 2.62Å; R28-E95 IonicContact NE-OE1 3.7Å; R28-E95 IonicContact NH2-OE1 2.7Å; R28-E95 PolarHBondContact NH2-OE1 2.84Å
29R98.8Very high98.6Very high199 Ų19981 Ų8175%0.75137%0.369SS*.Hα-helixtrans-60.5-40.6172-170.9-176.2-61.2178.71.5113A25 K26 K27 I31 E32 E33A25-R29 PolarHBondContact O-N 3.12Å; K26-R29 PolarHBondContact O-N 3.42Å; K27-R29 VanDerWaalsContact C-N 3.3Å; K27-R29 PolarHBondContact O-N 3.46Å; R29-I31 VanDerWaalsContact C-N 3.34Å; R29-I31 PolarHBondContact O-N 2.89Å; R29-E32 PolarHBondContact O-N 3.38Å; R29-E33 PolarHBondContact O-N 3.18Å; R29-E33 VanDerWaalsContact O-N 3.13Å
30Q98.6Very high98.6Very high78 Ų7881.9 Ų81.936%0.36437%0.373SS..Hα-helixtrans-64.3-36.5177.6-167.8-177.7-7.300112.3K26 K27 R28 E33 E34 I87K26-Q30 PolarHBondContact O-N 3.48Å; K27-Q30 WeakPolarHBondContact O-CA 3.17Å; K27-Q30 WeakPolarHBondContact O-CB 3.37Å; K27-Q30 PolarHBondContact O-N 2.96Å; R28-Q30 PolarHBondContact O-N 2.85Å; Q30-E33 WeakPolarHBondContact O-CB 3.5Å; Q30-E33 PolarHBondContact O-N 2.86Å; Q30-E34 WeakPolarHBondContact O-CG 3.13Å; Q30-E34 PolarHBondContact O-N 2.83Å; Q30-I87 HydrophobicContact CG-CD1 3.9Å
31I98.8Very high98.6Very high8 Ų882.4 Ų82.44%0.04138%0.376CS..Hα-helixtrans-61.3-45.6173.4-74.5164.2000111.2K27 R28 R29 E33 E34 K35 I84 I87 E88 I91K27-I31 PolarHBondContact O-N 3.35Å; R28-I31 PolarHBondContact O-N 3.28Å; R29-I31 VanDerWaalsContact C-N 3.34Å; R29-I31 PolarHBondContact O-N 2.89Å; I31-E33 VanDerWaalsContact C-N 3.28Å; I31-E33 PolarHBondContact O-N 3.11Å; I31-E34 PolarHBondContact O-N 3.48Å; I31-K35 HydrophobicContact CG2-CD 3.72Å; I31-K35 HydrophobicContact CG2-CG 4.14Å; I31-K35 WeakPolarHBondContact O-CB 3.37Å; I31-K35 WeakPolarHBondContact O-CG 3.37Å; I31-K35 PolarHBondContact O-N 3.46Å; I31-I84 HydrophobicContact CG2-CG2 4.19Å; I31-I87 HydrophobicContact CD1-CB 4.24Å; I31-I87 HydrophobicContact CD1-CG2 3.88Å; I31-I87 HydrophobicContact CG1-CB 3.84Å; I31-I87 HydrophobicContact CG1-CG2 3.63Å; I31-E88 HydrophobicContact CD1-CB 4.43Å; I31-E88 HydrophobicContact CD1-CG 3.5Å; I31-E88 HydrophobicContact CG1-CG 4.33Å; I31-I91 HydrophobicContact CD1-CD1 3.33Å
32E98.6Very high98.6Very high105 Ų10582.7 Ų82.749%0.49138%0.376SS..Hα-helixtrans-65.3-32.3178.9-59.2-45.6126.600112.4R28 R29 K35 L36R28-E32 PolarHBondContact O-N 2.88Å; R29-E32 PolarHBondContact O-N 3.38Å; E32-K35 WeakPolarHBondContact OE1-CD 3.45Å; E32-K35 IonicContact OE1-NZ 2.64Å; E32-K35 PolarHBondContact OE1-NZ 3.49Å; E32-K35 VanDerWaalsContact OE2-CD 3.28Å; E32-K35 WeakPolarHBondContact OE2-CD 3.47Å; E32-K35 IonicContact OE2-NZ 2.67Å; E32-L36 WeakPolarHBondContact O-CB 3.3Å; E32-L36 PolarHBondContact O-N 3.2Å
33E98.6Very high98.6Very high104 Ų10482.3 Ų82.349%0.48637%0.372SS..Hα-helixtrans-64.5-46.2171.6-160.4-162.1132.900112.1R29 Q30 I31 L36 K37R29-E33 PolarHBondContact O-N 3.18Å; R29-E33 VanDerWaalsContact O-N 3.13Å; Q30-E33 WeakPolarHBondContact O-CB 3.5Å; Q30-E33 PolarHBondContact O-N 2.86Å; I31-E33 VanDerWaalsContact C-N 3.28Å; I31-E33 PolarHBondContact O-N 3.11Å; E33-L36 PolarHBondContact O-N 2.83Å; E33-K37 WeakPolarHBondContact O-CG 3.43Å; E33-K37 PolarHBondContact O-N 3.14Å; E33-K37 WeakPolarHBondContact OE1-CE 3.28Å; E33-K37 IonicContact OE1-NZ 2.78Å; E33-K37 PolarHBondContact OE1-NZ 3.42Å
34E98.5Very high98.5Very high13 Ų1382 Ų826%0.06137%0.368CS..Hα-helixtrans-68.4-37.6177.5-63.6-71.193.100111.9Q30 I31 L36 K37 L38 L80 N83 I84 I87Q30-E34 WeakPolarHBondContact O-CG 3.13Å; Q30-E34 PolarHBondContact O-N 2.83Å; I31-E34 PolarHBondContact O-N 3.48Å; E34-L36 VanDerWaalsContact C-N 3.34Å; E34-K37 PolarHBondContact O-N 3.01Å; E34-K37 WeakPolarHBondContact OE1-CD 3.27Å; E34-K37 IonicContact OE1-NZ 2.66Å; E34-K37 PolarHBondContact OE1-NZ 2.94Å; E34-L38 WeakPolarHBondContact O-CB 3.34Å; E34-L38 PolarHBondContact O-N 3.41Å; E34-L80 HydrophobicContact CB-CD2 4.49Å; E34-L80 VanDerWaalsContact OE2-CD2 3.31Å; E34-L80 WeakPolarHBondContact OE2-CD2 3.37Å; E34-N83 HydrophobicContact CG-CB 4.49Å; E34-N83 VanDerWaalsContact OE2-CB 3.27Å; E34-N83 WeakPolarHBondContact OE2-CB 3.37Å; E34-N83 PolarHBondContact OE2-ND2 3.34Å; E34-I84 HydrophobicContact CB-CD1 4.16Å; E34-I84 HydrophobicContact CB-CG1 3.65Å; E34-I87 HydrophobicContact CG-CD1 4.31Å
35K98.6Very high98.4Very high82 Ų8283.5 Ų83.536%0.35738%0.379SS..Hα-helixtrans-61-41.3171.9-77.4170.7177.7169.20111.5I31 E32 L38 Q39 I84I31-K35 HydrophobicContact CG2-CD 3.72Å; I31-K35 HydrophobicContact CG2-CG 4.14Å; I31-K35 WeakPolarHBondContact O-CB 3.37Å; I31-K35 WeakPolarHBondContact O-CG 3.37Å; I31-K35 PolarHBondContact O-N 3.46Å; E32-K35 WeakPolarHBondContact OE1-CD 3.45Å; E32-K35 IonicContact OE1-NZ 2.64Å; E32-K35 PolarHBondContact OE1-NZ 3.49Å; E32-K35 VanDerWaalsContact OE2-CD 3.28Å; E32-K35 WeakPolarHBondContact OE2-CD 3.47Å; E32-K35 IonicContact OE2-NZ 2.67Å; K35-L38 PolarHBondContact O-N 3.29Å; K35-Q39 WeakPolarHBondContact O-CB 3.38Å; K35-Q39 PolarHBondContact O-N 3.28Å; K35-I84 HydrophobicContact CG-CD1 3.84Å; K35-I84 HydrophobicContact CG-CG1 4.42Å
36L98.7Very high98.2Very high114 Ų11484.6 Ų84.660%0.59738%0.376SS*.Hα-helixtrans-65.8-42.9177.1-176.861.5000111.6E32 E33 E34 L38 Q39 Y40E32-L36 WeakPolarHBondContact O-CB 3.3Å; E32-L36 PolarHBondContact O-N 3.2Å; E33-L36 PolarHBondContact O-N 2.83Å; E34-L36 VanDerWaalsContact C-N 3.34Å; L36-L38 VanDerWaalsContact C-N 3.35Å; L36-L38 PolarHBondContact O-N 3.25Å; L36-Q39 PolarHBondContact O-N 3.05Å; L36-Y40 WeakPolarHBondContact O-CB 3.36Å; L36-Y40 PolarHBondContact O-N 3.27Å
37K98.6Very high98.1Very high76 Ų7685.1 Ų85.133%0.3338%0.375SS..Hα-helixtrans-60.3-43.4172.6-67.6167.7-164.8164.30111.8E33 E34 Y40 I41 L80E33-K37 WeakPolarHBondContact O-CG 3.43Å; E33-K37 PolarHBondContact O-N 3.14Å; E33-K37 WeakPolarHBondContact OE1-CE 3.28Å; E33-K37 IonicContact OE1-NZ 2.78Å; E33-K37 PolarHBondContact OE1-NZ 3.42Å; E34-K37 PolarHBondContact O-N 3.01Å; E34-K37 WeakPolarHBondContact OE1-CD 3.27Å; E34-K37 IonicContact OE1-NZ 2.66Å; E34-K37 PolarHBondContact OE1-NZ 2.94Å; K37-Y40 WeakPolarHBondContact O-CB 3.39Å; K37-Y40 PolarHBondContact O-N 2.86Å; K37-I41 PolarHBondContact O-N 3.45Å; K37-L80 HydrophobicContact CB-CD1 3.74Å; K37-L80 HydrophobicContact CB-CD2 4.15Å; K37-L80 HydrophobicContact CD-CD2 4.17Å
38L98.6Very high97.8Very high20 Ų2085.4 Ų85.411%0.10538%0.376CS..Hα-helixtrans-63.3-42.6178179.264000111.4E34 K35 L36 K42 S77 L80 Q81 I84E34-L38 WeakPolarHBondContact O-CB 3.34Å; E34-L38 PolarHBondContact O-N 3.41Å; K35-L38 PolarHBondContact O-N 3.29Å; L36-L38 VanDerWaalsContact C-N 3.35Å; L36-L38 PolarHBondContact O-N 3.25Å; L38-K42 HydrophobicContact CD1-CD 4.19Å; L38-K42 HydrophobicContact CG-CD 4.24Å; L38-K42 WeakPolarHBondContact O-CB 3.38Å; L38-K42 WeakPolarHBondContact O-CG 3.46Å; L38-K42 PolarHBondContact O-N 2.8Å; L38-S77 WeakPolarHBondContact CD1-O 3.47Å; L38-S77 WeakPolarHBondContact CD1-OG 3.47Å; L38-L80 HydrophobicContact CB-CB 4.25Å; L38-L80 HydrophobicContact CB-CD1 4.26Å; L38-L80 HydrophobicContact CD1-CB 4.21Å; L38-Q81 HydrophobicContact CD1-CG 3.88Å; L38-Q81 HydrophobicContact CD2-CG 3.46Å; L38-Q81 VanDerWaalsContact CD2-CG 3.46Å; L38-Q81 HydrophobicContact CG-CG 4.33Å; L38-I84 HydrophobicContact CD2-CD1 3.91Å
39Q98.6Very high97.5Very high100 Ų10084.1 Ų84.147%0.46738%0.377SS..Hα-helixtrans-66.3-38.6175.1-161.5-159.476.900111.6K35 L36 K43K35-Q39 WeakPolarHBondContact O-CB 3.38Å; K35-Q39 PolarHBondContact O-N 3.28Å; L36-Q39 PolarHBondContact O-N 3.05Å; Q39-K43 HydrophobicContact CG-CD 4.26Å; Q39-K43 WeakPolarHBondContact O-CB 3.45Å; Q39-K43 VanDerWaalsContact O-CG 3.28Å; Q39-K43 WeakPolarHBondContact O-CG 3.29Å; Q39-K43 PolarHBondContact O-N 3.35Å
40Y98.5Very high97.2Very high150 Ų15083.2 Ų83.259%0.58837%0.373SS*.Hα-helixtrans-61.3-50.3174.7170.3-98.6000111.7L36 K37 K42 K43 K44L36-Y40 WeakPolarHBondContact O-CB 3.36Å; L36-Y40 PolarHBondContact O-N 3.27Å; K37-Y40 WeakPolarHBondContact O-CB 3.39Å; K37-Y40 PolarHBondContact O-N 2.86Å; Y40-K42 PolarHBondContact O-N 3.47Å; Y40-K43 PolarHBondContact O-N 2.81Å; Y40-K44 HydrophobicContact CE1-CD 4.24Å; Y40-K44 WeakPolarHBondContact O-CB 3.46Å; Y40-K44 PolarHBondContact O-N 3.49Å
41I98.1Very high96.9Very high16 Ų1684 Ų848%0.08238%0.379CS..Hα-helixtrans-61.3-45.4178-74.4158.6000110.9K37 K43 K44 S45 E73 Q76 L80K37-I41 PolarHBondContact O-N 3.45Å; I41-K43 VanDerWaalsContact C-N 3.29Å; I41-K43 PolarHBondContact O-N 3.21Å; I41-K44 WeakPolarHBondContact O-CB 3.39Å; I41-K44 PolarHBondContact O-N 3.35Å; I41-K44 VanDerWaalsContact O-N 3.11Å; I41-S45 PolarHBondContact O-N 2.66Å; I41-S45 PolarHBondContact O-OG 2.93Å; I41-E73 HydrophobicContact CG2-CB 4.4Å; I41-Q76 HydrophobicContact CD1-CB 3.92Å; I41-L80 HydrophobicContact CD1-CD1 3.59Å
42K97.6Very high96.3Very high90 Ų9086.7 Ų86.739%0.39139%0.393SS..Hα-helixtrans-62.8-32.6177.2-73.1176.8178175.80113.4L38 Y40 L46 S77L38-K42 HydrophobicContact CD1-CD 4.19Å; L38-K42 HydrophobicContact CG-CD 4.24Å; L38-K42 WeakPolarHBondContact O-CB 3.38Å; L38-K42 WeakPolarHBondContact O-CG 3.46Å; L38-K42 PolarHBondContact O-N 2.8Å; Y40-K42 PolarHBondContact O-N 3.47Å; K42-L46 VanDerWaalsContact O-CB 3.27Å; K42-L46 WeakPolarHBondContact O-CB 3.4Å; K42-L46 PolarHBondContact O-N 3.26Å; K42-S77 WeakPolarHBondContact CE-OG 3.5Å
43K98.3Very high95.7Very high125 Ų12587.1 Ų87.154%0.54340%0.398SS..Hα-helixtrans-74-36.9172.1-75.6171.9171.8176.30112.3Q39 Y40 I41 R47Q39-K43 HydrophobicContact CG-CD 4.26Å; Q39-K43 WeakPolarHBondContact O-CB 3.45Å; Q39-K43 VanDerWaalsContact O-CG 3.28Å; Q39-K43 WeakPolarHBondContact O-CG 3.29Å; Q39-K43 PolarHBondContact O-N 3.35Å; Y40-K43 PolarHBondContact O-N 2.81Å; I41-K43 VanDerWaalsContact C-N 3.29Å; I41-K43 PolarHBondContact O-N 3.21Å; K43-R47 VanDerWaalsContact O-CB 3.26Å; K43-R47 WeakPolarHBondContact O-CB 3.46Å; K43-R47 PolarHBondContact O-N 3.02Å; K43-R47 VanDerWaalsContact O-N 3.14Å
44K97.8Very high94.8Very high58 Ų5885 Ų8525%0.25240%0.404SS..Hα-helixtrans-66.4-54.3177.7-178.5-175.5175.3-60.70111.1Y40 I41 L46 R47 E48 E73Y40-K44 HydrophobicContact CE1-CD 4.24Å; Y40-K44 WeakPolarHBondContact O-CB 3.46Å; Y40-K44 PolarHBondContact O-N 3.49Å; I41-K44 WeakPolarHBondContact O-CB 3.39Å; I41-K44 PolarHBondContact O-N 3.35Å; I41-K44 VanDerWaalsContact O-N 3.11Å; K44-L46 PolarHBondContact O-N 3.32Å; K44-R47 PolarHBondContact O-N 3.01Å; K44-E48 WeakPolarHBondContact CE-OE1 3.34Å; K44-E48 VanDerWaalsContact CG-OE1 3.3Å; K44-E48 WeakPolarHBondContact CG-OE1 3.24Å; K44-E48 IonicContact NZ-OE1 2.67Å; K44-E48 PolarHBondContact NZ-OE1 3Å; K44-E48 IonicContact NZ-OE2 2.66Å; K44-E48 PolarHBondContact NZ-OE2 3.06Å; K44-E48 WeakPolarHBondContact O-CB 3.46Å; K44-E48 WeakPolarHBondContact O-CG 3.27Å; K44-E48 PolarHBondContact O-N 3.39Å; K44-E73 WeakPolarHBondContact CD-OE1 3.11Å; K44-E73 WeakPolarHBondContact CE-OE1 3.41Å; K44-E73 IonicContact NZ-OE1 2.75Å; K44-E73 PolarHBondContact NZ-OE1 2.96Å
45S95.8Very high93.8Very high39 Ų3988.9 Ų88.927%0.27343%0.425SS..Hα-helixtrans-62.8-42.5-177.565.20000112.2I41 R47 E48 Q49 E73I41-S45 PolarHBondContact O-N 2.66Å; I41-S45 PolarHBondContact O-OG 2.93Å; S45-R47 PolarHBondContact O-N 2.67Å; S45-E48 PolarHBondContact O-N 3.49Å; S45-Q49 WeakPolarHBondContact O-CB 3.31Å; S45-Q49 PolarHBondContact O-N 3.34Å; S45-E73 WeakPolarHBondContact CA-OE2 3.49Å; S45-E73 WeakPolarHBondContact CB-OE2 3.49Å
46L95.7Very high92.2Very high78 Ų7890.8 Ų90.841%0.40845%0.448SS..Hα-helixtrans-61.9-43.2174.2-179.563.6000112.3K42 K44 E48 Q49 W50K42-L46 VanDerWaalsContact O-CB 3.27Å; K42-L46 WeakPolarHBondContact O-CB 3.4Å; K42-L46 PolarHBondContact O-N 3.26Å; K44-L46 PolarHBondContact O-N 3.32Å; L46-E48 VanDerWaalsContact C-N 3.34Å; L46-Q49 PolarHBondContact O-N 2.88Å; L46-W50 HydrophobicContact CD1-CZ2 4.26Å; L46-W50 HydrophobicContact CD2-CZ2 4.37Å; L46-W50 HydrophobicContact CG-CZ2 4.35Å; L46-W50 PolarHBondContact O-N 3.22Å
47R95.7Very high90.8Very high152 Ų15294.5 Ų94.557%0.57446%0.463SS*.Hα-helixtrans-64.9-39.4176.4178.8-179.1173.8-78.9-3.8111.6K43 K44 S45 L51K43-R47 VanDerWaalsContact O-CB 3.26Å; K43-R47 WeakPolarHBondContact O-CB 3.46Å; K43-R47 PolarHBondContact O-N 3.02Å; K43-R47 VanDerWaalsContact O-N 3.14Å; K44-R47 PolarHBondContact O-N 3.01Å; S45-R47 PolarHBondContact O-N 2.67Å; R47-L51 HydrophobicContact CG-CD1 4.32Å; R47-L51 VanDerWaalsContact O-CG 3.3Å; R47-L51 WeakPolarHBondContact O-CG 3.36Å; R47-L51 PolarHBondContact O-N 3.48Å; R47-L51 VanDerWaalsContact O-N 3.12Å
48E92.8Very high89.8Confident47 Ų4793.3 Ų93.322%0.2246%0.458CS..Hα-helixtrans-69.6-42.9178-75.9171.4-162.600110.9K44 S45 L46 W50 L51 M52 Q69K44-E48 WeakPolarHBondContact CE-OE1 3.34Å; K44-E48 VanDerWaalsContact CG-OE1 3.3Å; K44-E48 WeakPolarHBondContact CG-OE1 3.24Å; K44-E48 IonicContact NZ-OE1 2.67Å; K44-E48 PolarHBondContact NZ-OE1 3Å; K44-E48 IonicContact NZ-OE2 2.66Å; K44-E48 PolarHBondContact NZ-OE2 3.06Å; K44-E48 WeakPolarHBondContact O-CB 3.46Å; K44-E48 WeakPolarHBondContact O-CG 3.27Å; K44-E48 PolarHBondContact O-N 3.39Å; S45-E48 PolarHBondContact O-N 3.49Å; L46-E48 VanDerWaalsContact C-N 3.34Å; E48-W50 PolarHBondContact O-N 3.35Å; E48-L51 WeakPolarHBondContact O-CB 3.36Å; E48-L51 PolarHBondContact O-N 2.9Å; E48-L51 VanDerWaalsContact O-N 3.1Å; E48-M52 WeakPolarHBondContact O-CG 3.48Å; E48-M52 PolarHBondContact O-N 3.37Å; E48-M52 VanDerWaalsContact O-N 3.14Å; E48-Q69 PolarHBondContact OE2-NE2 2.98Å
49Q92.6Very high89.3Confident113 Ų11395 Ų9553%0.52847%0.472SS..Hα-helixtrans-52.7-51.7170.8-176.7178.6-800111.9S45 L46 L51 M52 D53S45-Q49 WeakPolarHBondContact O-CB 3.31Å; S45-Q49 PolarHBondContact O-N 3.34Å; L46-Q49 PolarHBondContact O-N 2.88Å; Q49-L51 VanDerWaalsContact C-N 3.27Å; Q49-L51 PolarHBondContact O-N 2.93Å; Q49-M52 PolarHBondContact O-N 3.25Å; Q49-D53 PolarHBondContact O-N 3.19Å
50W92.6Very high88.7Confident179 Ų17997.3 Ų97.368%0.67848%0.483SS*.Hα-helixtrans-62.5-29.2178.4-71.71.1000114.2L46 E48 M52L46-W50 HydrophobicContact CD1-CZ2 4.26Å; L46-W50 HydrophobicContact CD2-CZ2 4.37Å; L46-W50 HydrophobicContact CG-CZ2 4.35Å; L46-W50 PolarHBondContact O-N 3.22Å; E48-W50 PolarHBondContact O-N 3.35Å; W50-M52 VanDerWaalsContact C-N 3.32Å
51L91.2Very high88.4Confident95 Ų9597.8 Ų97.850%0.49749%0.49SS..Hα-helixtrans-72.1-27.5174.2-74.6168.6000112.3R47 E48 Q49R47-L51 HydrophobicContact CG-CD1 4.32Å; R47-L51 VanDerWaalsContact O-CG 3.3Å; R47-L51 WeakPolarHBondContact O-CG 3.36Å; R47-L51 PolarHBondContact O-N 3.48Å; R47-L51 VanDerWaalsContact O-N 3.12Å; E48-L51 WeakPolarHBondContact O-CB 3.36Å; E48-L51 PolarHBondContact O-N 2.9Å; E48-L51 VanDerWaalsContact O-N 3.1Å; Q49-L51 VanDerWaalsContact C-N 3.27Å; Q49-L51 PolarHBondContact O-N 2.93Å
52M86.1Confident88Confident65 Ų65101.9 Ų101.932%0.3251%0.509SS..Hα-helixtrans-92.2-30.9-178.9-55.7-48.8-72.200113.2E48 Q49 W50 G54 L55 M66E48-M52 WeakPolarHBondContact O-CG 3.48Å; E48-M52 PolarHBondContact O-N 3.37Å; E48-M52 VanDerWaalsContact O-N 3.14Å; Q49-M52 PolarHBondContact O-N 3.25Å; W50-M52 VanDerWaalsContact C-N 3.32Å; M52-G54 PolarHBondContact O-N 3.01Å; M52-L55 HydrophobicContact CE-CD1 3.68Å; M52-L55 PolarHBondContact O-N 3.33Å; M52-L55 HydrophobicContact SD-CD1 4Å; M52-M66 HydrophobicContact CB-SD 3.53Å; M52-M66 VanDerWaalsContact CB-SD 3.53Å; M52-M66 HydrophobicContact CE-CG 4.31Å; M52-M66 HydrophobicContact CE-SD 3.56Å; M52-M66 VanDerWaalsContact CE-SD 3.56Å; M52-M66 HydrophobicContact CG-SD 3.54Å; M52-M66 VanDerWaalsContact CG-SD 3.54Å; M52-M66 HydrophobicContact SD-SD 4.42Å
53D86.1Confident87.5Confident113 Ų113101.5 Ų101.560%0.60451%0.509SS*.THydrogen-bonded Turntrans-57.2-21176.4-74.2-28.9000113.2Q49Q49-D53 PolarHBondContact O-N 3.19Å
54G81.1Confident87.2Confident59 Ų59100.5 Ų100.561%0.60851%0.506SS*.THydrogen-bonded Turntrans-81.3-6.8174.800000116.1M52 S56M52-G54 PolarHBondContact O-N 3.01Å; G54-S56 PolarHBondContact O-N 2.96Å
55L77.3Confident86.9Confident95 Ų95100.2 Ų100.250%0.49752%0.515SS..  trans-101.584-170-61.7179.6000112.5M52 Q57M52-L55 HydrophobicContact CE-CD1 3.68Å; M52-L55 PolarHBondContact O-N 3.33Å; M52-L55 HydrophobicContact SD-CD1 4Å; L55-Q57 PolarHBondContact O-N 3.38Å
56S64.4Low86.6Confident122 Ų122101.1 Ų101.185%0.85352%0.515SS*.SBendtrans-67.8-0.9-173.7-41.90000116.6G54G54-S56 PolarHBondContact O-N 2.96Å
57Q68.6Low86.4Confident192 Ų192103.9 Ų103.990%0.89752%0.52SS*.  trans-140.283.6173.7-75.3-169.6-30.500110.4L55L55-Q57 PolarHBondContact O-N 3.38Å
58Q77.9Confident86.4Confident51 Ų51101.6 Ų101.624%0.23852%0.519CS..  trans-94.3151.3161.8-84.4-172.1-49.800111.3E62 M66Q58-E62 HydrophobicContact CB-CB 4.41Å; Q58-E62 HydrophobicContact CG-CB 4.35Å; Q58-M66 PolarHBondContact NE2-SD 2.87Å
59S87.6Confident86.5Confident55 Ų55103.9 Ų103.939%0.38553%0.53SS..  trans-71.4158.616366.90000111.6E61 E62 Q63S59-E61 PolarHBondContact O-N 3.27Å; S59-E62 VanDerWaalsContact CB-OE2 3.28Å; S59-E62 WeakPolarHBondContact CB-OE2 3.4Å; S59-E62 PolarHBondContact N-OE2 3.13Å; S59-E62 PolarHBondContact O-N 3.29Å; S59-E62 VanDerWaalsContact OG-CD 3.28Å; S59-E62 VanDerWaalsContact OG-CG 3.26Å; S59-E62 WeakPolarHBondContact OG-CG 3.31Å; S59-E62 PolarHBondContact OG-N 2.92Å; S59-E62 PolarHBondContact OG-OE2 2.71Å; S59-Q63 PolarHBondContact O-N 3.14Å
60E87.8Confident86.5Confident149 Ų149101.3 Ų101.370%0.69653%0.528SS*.Hα-helixtrans-64.3-28.4177.1-169171.1-170.600112.3Q64E60-Q64 VanDerWaalsContact O-CG 3.3Å; E60-Q64 WeakPolarHBondContact O-CG 3.3Å; E60-Q64 PolarHBondContact O-N 2.95Å
61E91.1Very high86.7Confident161 Ų16198 Ų9875%0.75252%0.52SS*.Hα-helixtrans-71.9-44.7176.5-170.6168.2-163.800111.7S59 Q63 Q64 A65S59-E61 PolarHBondContact O-N 3.27Å; E61-Q63 VanDerWaalsContact C-N 3.31Å; E61-Q63 PolarHBondContact O-N 3.15Å; E61-Q64 PolarHBondContact O-N 3.19Å; E61-A65 PolarHBondContact O-N 3.02Å
62E88.9Confident87Confident101 Ų10197.7 Ų97.747%0.47252%0.518SS..Hα-helixtrans-61.2-40.6171.3-70.2162.3125.100111.5Q58 S59 Q64 A65 M66Q58-E62 HydrophobicContact CB-CB 4.41Å; Q58-E62 HydrophobicContact CG-CB 4.35Å; S59-E62 VanDerWaalsContact CB-OE2 3.28Å; S59-E62 WeakPolarHBondContact CB-OE2 3.4Å; S59-E62 PolarHBondContact N-OE2 3.13Å; S59-E62 PolarHBondContact O-N 3.29Å; S59-E62 VanDerWaalsContact OG-CD 3.28Å; S59-E62 VanDerWaalsContact OG-CG 3.26Å; S59-E62 WeakPolarHBondContact OG-CG 3.31Å; S59-E62 PolarHBondContact OG-N 2.92Å; S59-E62 PolarHBondContact OG-OE2 2.71Å; E62-Q64 VanDerWaalsContact C-N 3.29Å; E62-Q64 PolarHBondContact O-N 2.93Å; E62-A65 PolarHBondContact O-N 2.9Å; E62-M66 WeakPolarHBondContact O-CG 3.38Å; E62-M66 PolarHBondContact O-N 3.2Å
63Q89.1Confident87.5Confident82 Ų8295.5 Ų95.538%0.38351%0.507SS..Hα-helixtrans-67.7-29177.9-157.3-171.658.500112.5S59 E61 M66 R67S59-Q63 PolarHBondContact O-N 3.14Å; E61-Q63 VanDerWaalsContact C-N 3.31Å; E61-Q63 PolarHBondContact O-N 3.15Å; Q63-M66 HydrophobicContact CG-CE 4.28Å; Q63-R67 VanDerWaalsContact CD-NH2 3.28Å; Q63-R67 WeakPolarHBondContact O-CG 3.47Å; Q63-R67 PolarHBondContact O-N 2.83Å; Q63-R67 PolarHBondContact O-NH1 2.85Å
64Q91.7Very high88Confident104 Ų10495 Ų9549%0.48650%0.502SS..Hα-helixtrans-71.8-43.5169.7-73.8174.542.800111.5E60 E61 E62 M66 R67 L68E60-Q64 VanDerWaalsContact O-CG 3.3Å; E60-Q64 WeakPolarHBondContact O-CG 3.3Å; E60-Q64 PolarHBondContact O-N 2.95Å; E61-Q64 PolarHBondContact O-N 3.19Å; E62-Q64 VanDerWaalsContact C-N 3.29Å; E62-Q64 PolarHBondContact O-N 2.93Å; Q64-M66 VanDerWaalsContact C-N 3.34Å; Q64-M66 PolarHBondContact O-N 2.79Å; Q64-R67 PolarHBondContact O-N 2.78Å; Q64-L68 PolarHBondContact O-N 2.85Å; Q64-L68 VanDerWaalsContact O-N 3.12Å
65A91.8Very high88.8Confident53 Ų5397.2 Ų97.244%0.43850%0.496SS..Hα-helixtrans-58.7-42.4176.300000112.4E61 E62 R67 L68 Q69E61-A65 PolarHBondContact O-N 3.02Å; E62-A65 PolarHBondContact O-N 2.9Å; A65-R67 PolarHBondContact O-N 2.82Å; A65-L68 PolarHBondContact O-N 2.83Å; A65-Q69 PolarHBondContact O-N 3.29Å
66M88.4Confident89.8Confident58 Ų5897.6 Ų97.629%0.28650%0.495SS..Hα-helixtrans-60.8-41.8174.6-68.8-160.8-44.300113.3M52 Q58 E62 Q63 Q64 L68 Q69 A70M52-M66 HydrophobicContact CB-SD 3.53Å; M52-M66 VanDerWaalsContact CB-SD 3.53Å; M52-M66 HydrophobicContact CE-CG 4.31Å; M52-M66 HydrophobicContact CE-SD 3.56Å; M52-M66 VanDerWaalsContact CE-SD 3.56Å; M52-M66 HydrophobicContact CG-SD 3.54Å; M52-M66 VanDerWaalsContact CG-SD 3.54Å; M52-M66 HydrophobicContact SD-SD 4.42Å; Q58-M66 PolarHBondContact NE2-SD 2.87Å; E62-M66 WeakPolarHBondContact O-CG 3.38Å; E62-M66 PolarHBondContact O-N 3.2Å; Q63-M66 HydrophobicContact CG-CE 4.28Å; Q64-M66 VanDerWaalsContact C-N 3.34Å; Q64-M66 PolarHBondContact O-N 2.79Å; M66-L68 VanDerWaalsContact C-N 3.32Å; M66-L68 PolarHBondContact O-N 2.86Å; M66-Q69 PolarHBondContact O-N 2.88Å; M66-A70 WeakPolarHBondContact O-CB 3.44Å; M66-A70 PolarHBondContact O-N 3.36Å
67R91.4Very high91.5Very high135 Ų13592 Ų9251%0.50946%0.456SS..Hα-helixtrans-63.9-39.9178.9-71.9177.7-169.9111.8-0.8111.4Q63 Q64 A65 Q71Q63-R67 VanDerWaalsContact CD-NH2 3.28Å; Q63-R67 WeakPolarHBondContact O-CG 3.47Å; Q63-R67 PolarHBondContact O-N 2.83Å; Q63-R67 PolarHBondContact O-NH1 2.85Å; Q64-R67 PolarHBondContact O-N 2.78Å; A65-R67 PolarHBondContact O-N 2.82Å; R67-Q71 WeakPolarHBondContact O-CB 3.41Å; R67-Q71 PolarHBondContact O-N 3.37Å
68L95.6Very high92.9Very high104 Ų10486.6 Ų86.655%0.54543%0.433SS..Hα-helixtrans-64.4-48.5175.3-68.2168.3000111Q64 A65 M66 A70 Q71 D72Q64-L68 PolarHBondContact O-N 2.85Å; Q64-L68 VanDerWaalsContact O-N 3.12Å; A65-L68 PolarHBondContact O-N 2.83Å; M66-L68 VanDerWaalsContact C-N 3.32Å; M66-L68 PolarHBondContact O-N 2.86Å; L68-A70 PolarHBondContact O-N 2.95Å; L68-Q71 PolarHBondContact O-N 3.5Å; L68-D72 PolarHBondContact O-N 3.33Å
69Q94.8Very high93.9Very high96 Ų9689.2 Ų89.245%0.44945%0.446SS..Hα-helixtrans-59.1-47.2177.1179.3168.7-23.500112.3E48 A65 M66 Q71 D72 E73E48-Q69 PolarHBondContact OE2-NE2 2.98Å; A65-Q69 PolarHBondContact O-N 3.29Å; M66-Q69 PolarHBondContact O-N 2.88Å; Q69-Q71 VanDerWaalsContact C-N 3.31Å; Q69-Q71 PolarHBondContact O-N 3.32Å; Q69-D72 PolarHBondContact O-N 2.88Å; Q69-E73 WeakPolarHBondContact O-CG 3.33Å; Q69-E73 PolarHBondContact O-N 3.32Å
70A93.5Very high94.4Very high59 Ų5987.5 Ų87.549%0.48843%0.432SS..Hα-helixtrans-64.1-35176.800000112.5M66 L68 Q74M66-A70 WeakPolarHBondContact O-CB 3.44Å; M66-A70 PolarHBondContact O-N 3.36Å; L68-A70 PolarHBondContact O-N 2.95Å; A70-Q74 WeakPolarHBondContact O-CB 3.33Å; A70-Q74 PolarHBondContact O-N 3.34Å
71Q96.3Very high94.9Very high110 Ų11084.1 Ų84.151%0.51442%0.416SS..Hα-helixtrans-68.8-39.4175.1178.1174.6-2.700112.2R67 L68 Q69 Q75R67-Q71 WeakPolarHBondContact O-CB 3.41Å; R67-Q71 PolarHBondContact O-N 3.37Å; L68-Q71 PolarHBondContact O-N 3.5Å; Q69-Q71 VanDerWaalsContact C-N 3.31Å; Q69-Q71 PolarHBondContact O-N 3.32Å; Q71-Q75 WeakPolarHBondContact O-CG 3.39Å; Q71-Q75 PolarHBondContact O-N 2.74Å
72D97.2Very high95.3Very high87 Ų8779.6 Ų79.647%0.46540%0.403SS..Hα-helixtrans-68.9-39.8176.3-73.6-11000111.5L68 Q69 Q75 Q76L68-D72 PolarHBondContact O-N 3.33Å; Q69-D72 PolarHBondContact O-N 2.88Å; D72-Q75 PolarHBondContact O-N 2.91Å; D72-Q76 WeakPolarHBondContact O-CG 3.43Å; D72-Q76 PolarHBondContact O-N 3.47Å
73E96.6Very high95.7Very high19 Ų1976.3 Ų76.39%0.08939%0.388CS..Hα-helixtrans-67.7-37.7174.4-70.9-165.6130.500112.7I41 K44 S45 Q69 Q76 S77I41-E73 HydrophobicContact CG2-CB 4.4Å; K44-E73 WeakPolarHBondContact CD-OE1 3.11Å; K44-E73 WeakPolarHBondContact CE-OE1 3.41Å; K44-E73 IonicContact NZ-OE1 2.75Å; K44-E73 PolarHBondContact NZ-OE1 2.96Å; S45-E73 WeakPolarHBondContact CA-OE2 3.49Å; S45-E73 WeakPolarHBondContact CB-OE2 3.49Å; Q69-E73 WeakPolarHBondContact O-CG 3.33Å; Q69-E73 PolarHBondContact O-N 3.32Å; E73-Q76 PolarHBondContact O-N 3.28Å; E73-S77 PolarHBondContact O-N 3.37Å
74Q97.3Very high96.2Very high103 Ų10373 Ų7348%0.48137%0.373SS..Hα-helixtrans-62.3-45.6172.2-174.862.450.200110.8A70 Q76 S77 D78A70-Q74 WeakPolarHBondContact O-CB 3.33Å; A70-Q74 PolarHBondContact O-N 3.34Å; Q74-Q76 VanDerWaalsContact C-N 3.3Å; Q74-Q76 PolarHBondContact O-N 2.91Å; Q74-S77 WeakPolarHBondContact O-CB 3.32Å; Q74-S77 PolarHBondContact O-N 2.8Å; Q74-S77 VanDerWaalsContact O-N 3.12Å; Q74-D78 PolarHBondContact NE2-OD1 2.93Å; Q74-D78 PolarHBondContact O-N 2.86Å
75Q98.3Very high96.5Very high105 Ų10572.9 Ų72.949%0.49138%0.375SS..Hα-helixtrans-60.4-37.7175.8-76.5175.452.100112.6Q71 D72 D78 Q79Q71-Q75 WeakPolarHBondContact O-CG 3.39Å; Q71-Q75 PolarHBondContact O-N 2.74Å; D72-Q75 PolarHBondContact O-N 2.91Å; Q75-D78 PolarHBondContact O-N 2.77Å; Q75-Q79 VanDerWaalsContact O-CB 3.24Å; Q75-Q79 WeakPolarHBondContact O-CB 3.37Å; Q75-Q79 PolarHBondContact O-N 3.21Å
76Q98.3Very high96.8Very high103 Ų10375.6 Ų75.648%0.48137%0.374SS..Hα-helixtrans-67.2-40.5173.8-70.1174.746.900112.1I41 D72 E73 Q74 Q79 L80I41-Q76 HydrophobicContact CD1-CB 3.92Å; D72-Q76 WeakPolarHBondContact O-CG 3.43Å; D72-Q76 PolarHBondContact O-N 3.47Å; E73-Q76 PolarHBondContact O-N 3.28Å; Q74-Q76 VanDerWaalsContact C-N 3.3Å; Q74-Q76 PolarHBondContact O-N 2.91Å; Q76-Q79 PolarHBondContact O-N 3.47Å; Q76-L80 WeakPolarHBondContact O-CB 3.44Å; Q76-L80 VanDerWaalsContact O-CG 3.3Å; Q76-L80 WeakPolarHBondContact O-CG 3.32Å; Q76-L80 PolarHBondContact O-N 2.87Å
77S98.4Very high97.3Very high5 Ų572.9 Ų72.94%0.03536%0.361CS..Hα-helixtrans-58.2-49.8171.9173.50000111.4L38 K42 E73 Q74 Q79 L80 Q81L38-S77 WeakPolarHBondContact CD1-O 3.47Å; L38-S77 WeakPolarHBondContact CD1-OG 3.47Å; K42-S77 WeakPolarHBondContact CE-OG 3.5Å; E73-S77 PolarHBondContact O-N 3.37Å; Q74-S77 WeakPolarHBondContact O-CB 3.32Å; Q74-S77 PolarHBondContact O-N 2.8Å; Q74-S77 VanDerWaalsContact O-N 3.12Å; S77-Q79 PolarHBondContact O-N 3.45Å; S77-L80 PolarHBondContact O-N 3.3Å; S77-Q81 WeakPolarHBondContact O-CG 3.2Å; S77-Q81 PolarHBondContact O-N 3.13Å; S77-Q81 PolarHBondContact OG-OE1 3.48Å
78D98.4Very high97.7Very high78 Ų7870 Ų7042%0.41735%0.353SS..Hα-helixtrans-64.9-39.6-178.2-62.7-19.1000111.6Q74 Q75 Q81 S82Q74-D78 PolarHBondContact NE2-OD1 2.93Å; Q74-D78 PolarHBondContact O-N 2.86Å; Q75-D78 PolarHBondContact O-N 2.77Å; D78-Q81 PolarHBondContact O-N 3.12Å; D78-S82 WeakPolarHBondContact O-CB 3.32Å; D78-S82 PolarHBondContact O-N 2.94Å
79Q98.5Very high97.8Very high107 Ų10771.9 Ų71.950%0.536%0.357SS..Hα-helixtrans-65.9-38176-178.957.684.500112.4Q75 Q76 S77 S82 N83Q75-Q79 VanDerWaalsContact O-CB 3.24Å; Q75-Q79 WeakPolarHBondContact O-CB 3.37Å; Q75-Q79 PolarHBondContact O-N 3.21Å; Q76-Q79 PolarHBondContact O-N 3.47Å; S77-Q79 PolarHBondContact O-N 3.45Å; Q79-S82 PolarHBondContact O-N 3.05Å; Q79-N83 PolarHBondContact NE2-OD1 2.94Å; Q79-N83 PolarHBondContact O-N 3.05Å
80L98.6Very high98Very high19 Ų1970.3 Ų70.310%0.09935%0.35CS..Hα-helixtrans-69.7-40174.2-71.8170.6000111.7E34 K37 L38 I41 Q76 S77 S82 N83 I84E34-L80 HydrophobicContact CB-CD2 4.49Å; E34-L80 VanDerWaalsContact OE2-CD2 3.31Å; E34-L80 WeakPolarHBondContact OE2-CD2 3.37Å; K37-L80 HydrophobicContact CB-CD1 3.74Å; K37-L80 HydrophobicContact CB-CD2 4.15Å; K37-L80 HydrophobicContact CD-CD2 4.17Å; L38-L80 HydrophobicContact CB-CB 4.25Å; L38-L80 HydrophobicContact CB-CD1 4.26Å; L38-L80 HydrophobicContact CD1-CB 4.21Å; I41-L80 HydrophobicContact CD1-CD1 3.59Å; Q76-L80 WeakPolarHBondContact O-CB 3.44Å; Q76-L80 VanDerWaalsContact O-CG 3.3Å; Q76-L80 WeakPolarHBondContact O-CG 3.32Å; Q76-L80 PolarHBondContact O-N 2.87Å; S77-L80 PolarHBondContact O-N 3.3Å; L80-S82 VanDerWaalsContact C-N 3.32Å; L80-S82 PolarHBondContact O-N 3.23Å; L80-N83 WeakPolarHBondContact O-CB 3.4Å; L80-N83 PolarHBondContact O-N 3.34Å; L80-I84 WeakPolarHBondContact O-CD1 3.32Å; L80-I84 VanDerWaalsContact O-CG1 3.3Å; L80-I84 WeakPolarHBondContact O-CG1 3.34Å; L80-I84 PolarHBondContact O-N 3.49Å
81Q98.6Very high98.3Very high77 Ų7768.1 Ų68.136%0.3633%0.329SS..Hα-helixtrans-62.3-40.1173.1-71.7-178.2-110.500111.7L38 S77 D78 I84 L85L38-Q81 HydrophobicContact CD1-CG 3.88Å; L38-Q81 HydrophobicContact CD2-CG 3.46Å; L38-Q81 VanDerWaalsContact CD2-CG 3.46Å; L38-Q81 HydrophobicContact CG-CG 4.33Å; S77-Q81 WeakPolarHBondContact O-CG 3.2Å; S77-Q81 PolarHBondContact O-N 3.13Å; S77-Q81 PolarHBondContact OG-OE1 3.48Å; D78-Q81 PolarHBondContact O-N 3.12Å; Q81-I84 PolarHBondContact O-N 2.87Å; Q81-L85 WeakPolarHBondContact O-CG 3.35Å; Q81-L85 PolarHBondContact O-N 2.91Å
82S98.6Very high98.4Very high67 Ų6767.7 Ų67.747%0.46933%0.328SS..Hα-helixtrans-64.2-39.2172.9-173.40000112.6D78 Q79 L80 R86D78-S82 WeakPolarHBondContact O-CB 3.32Å; D78-S82 PolarHBondContact O-N 2.94Å; Q79-S82 PolarHBondContact O-N 3.05Å; L80-S82 VanDerWaalsContact C-N 3.32Å; L80-S82 PolarHBondContact O-N 3.23Å; S82-R86 WeakPolarHBondContact O-CB 3.43Å; S82-R86 PolarHBondContact O-N 3.04Å
83N98.6Very high98.4Very high31 Ų3166.2 Ų66.217%0.16633%0.327CS..Hα-helixtrans-62.9-46.6173.9-80.1-13.8000112.2E34 Q79 L80 R86 I87E34-N83 HydrophobicContact CG-CB 4.49Å; E34-N83 VanDerWaalsContact OE2-CB 3.27Å; E34-N83 WeakPolarHBondContact OE2-CB 3.37Å; E34-N83 PolarHBondContact OE2-ND2 3.34Å; Q79-N83 PolarHBondContact NE2-OD1 2.94Å; Q79-N83 PolarHBondContact O-N 3.05Å; L80-N83 WeakPolarHBondContact O-CB 3.4Å; L80-N83 PolarHBondContact O-N 3.34Å; N83-R86 PolarHBondContact O-N 3.39Å; N83-R86 PolarHBondContact OD1-NH1 2.81Å; N83-I87 WeakPolarHBondContact O-CD1 3.41Å; N83-I87 VanDerWaalsContact O-CG1 3.24Å; N83-I87 WeakPolarHBondContact O-CG1 3.24Å; N83-I87 PolarHBondContact O-N 3.39Å
84I98.7Very high98.5Very high13 Ų1366.6 Ų66.67%0.06733%0.33CS..Hα-helixtrans-57.7-55.7178.1-69.3160.2000109.8I31 E34 K35 L38 L80 Q81 R86 I87 E88I31-I84 HydrophobicContact CG2-CG2 4.19Å; E34-I84 HydrophobicContact CB-CD1 4.16Å; E34-I84 HydrophobicContact CB-CG1 3.65Å; K35-I84 HydrophobicContact CG-CD1 3.84Å; K35-I84 HydrophobicContact CG-CG1 4.42Å; L38-I84 HydrophobicContact CD2-CD1 3.91Å; L80-I84 WeakPolarHBondContact O-CD1 3.32Å; L80-I84 VanDerWaalsContact O-CG1 3.3Å; L80-I84 WeakPolarHBondContact O-CG1 3.34Å; L80-I84 PolarHBondContact O-N 3.49Å; Q81-I84 PolarHBondContact O-N 2.87Å; I84-R86 PolarHBondContact O-N 3.36Å; I84-R86 VanDerWaalsContact O-N 3.16Å; I84-I87 PolarHBondContact O-N 3.36Å; I84-E88 HydrophobicContact CG2-CG 4.3Å; I84-E88 VanDerWaalsContact CG2-OE1 3.26Å; I84-E88 WeakPolarHBondContact CG2-OE1 3.34Å; I84-E88 WeakPolarHBondContact O-CG 3.26Å; I84-E88 PolarHBondContact O-N 2.88Å
85L98.7Very high98.6Very high102 Ų10264.7 Ų64.753%0.53432%0.321SS..Hα-helixtrans-59-29.7179.4-71.1167.9000113.6Q81 K89Q81-L85 WeakPolarHBondContact O-CG 3.35Å; Q81-L85 PolarHBondContact O-N 2.91Å; L85-K89 WeakPolarHBondContact O-CG 3.34Å; L85-K89 PolarHBondContact O-N 3.11Å
86R98.8Very high98.6Very high110 Ų11065 Ų6542%0.41532%0.322SS..Hα-helixtrans-72.7-47.3173.7-168.7-164.164.7-110.2-11.4111S82 N83 I84 E88 K89 E90S82-R86 WeakPolarHBondContact O-CB 3.43Å; S82-R86 PolarHBondContact O-N 3.04Å; N83-R86 PolarHBondContact O-N 3.39Å; N83-R86 PolarHBondContact OD1-NH1 2.81Å; I84-R86 PolarHBondContact O-N 3.36Å; I84-R86 VanDerWaalsContact O-N 3.16Å; R86-E88 VanDerWaalsContact C-N 3.3Å; R86-E88 PolarHBondContact O-N 3.22Å; R86-K89 PolarHBondContact O-N 3.33Å; R86-E90 WeakPolarHBondContact CD-OE1 3.47Å; R86-E90 WeakPolarHBondContact CG-OE1 3.28Å; R86-E90 IonicContact CZ-OE1 3.85Å; R86-E90 IonicContact NE-OE1 3.7Å; R86-E90 PolarHBondContact NE-OE1 3.12Å; R86-E90 WeakPolarHBondContact O-CG 3.38Å; R86-E90 PolarHBondContact O-N 3.2Å
87I98.7Very high98.6Very high0 Ų065.4 Ų65.40%032%0.322CS..Hα-helixtrans-67.2-33.6-179-59.5157.4000110.9K27 Q30 I31 E34 N83 I84 E90 I91K27-I87 HydrophobicContact CB-CG2 3.77Å; K27-I87 HydrophobicContact CD-CG2 4.32Å; K27-I87 HydrophobicContact CG-CG2 4.1Å; Q30-I87 HydrophobicContact CG-CD1 3.9Å; I31-I87 HydrophobicContact CD1-CB 4.24Å; I31-I87 HydrophobicContact CD1-CG2 3.88Å; I31-I87 HydrophobicContact CG1-CB 3.84Å; I31-I87 HydrophobicContact CG1-CG2 3.63Å; E34-I87 HydrophobicContact CG-CD1 4.31Å; N83-I87 WeakPolarHBondContact O-CD1 3.41Å; N83-I87 VanDerWaalsContact O-CG1 3.24Å; N83-I87 WeakPolarHBondContact O-CG1 3.24Å; N83-I87 PolarHBondContact O-N 3.39Å; I84-I87 PolarHBondContact O-N 3.36Å; I87-E90 CarbonylContact O-C 3.56Å; I87-E90 WeakPolarHBondContact O-CB 3.23Å; I87-E90 PolarHBondContact O-N 3.05Å; I87-I91 HydrophobicContact CG2-CD1 4.36Å; I87-I91 WeakPolarHBondContact O-CG1 3.49Å; I87-I91 PolarHBondContact O-N 3.42Å
88E98.6Very high98.6Very high75 Ų7567 Ų6735%0.3533%0.329SS..Hα-helixtrans-59.6-45.4173.1-73168.5163.600111.4I31 I84 R86 I91 E92I31-E88 HydrophobicContact CD1-CB 4.43Å; I31-E88 HydrophobicContact CD1-CG 3.5Å; I31-E88 HydrophobicContact CG1-CG 4.33Å; I84-E88 HydrophobicContact CG2-CG 4.3Å; I84-E88 VanDerWaalsContact CG2-OE1 3.26Å; I84-E88 WeakPolarHBondContact CG2-OE1 3.34Å; I84-E88 WeakPolarHBondContact O-CG 3.26Å; I84-E88 PolarHBondContact O-N 2.88Å; R86-E88 VanDerWaalsContact C-N 3.3Å; R86-E88 PolarHBondContact O-N 3.22Å; E88-I91 WeakPolarHBondContact O-CB 3.38Å; E88-I91 PolarHBondContact O-N 2.84Å; E88-I91 VanDerWaalsContact O-N 3.16Å; E88-E92 PolarHBondContact O-N 3.38Å
89K98.8Very high98.6Very high143 Ų14369.2 Ų69.262%0.62234%0.341SS*.Hα-helixtrans-68.8-32.6173.6-68.2177.1-178.6-174.20113.4L85 R86 I91 A93L85-K89 WeakPolarHBondContact O-CG 3.34Å; L85-K89 PolarHBondContact O-N 3.11Å; R86-K89 PolarHBondContact O-N 3.33Å; K89-I91 PolarHBondContact O-N 3.19Å; K89-A93 WeakPolarHBondContact O-CB 3.24Å; K89-A93 PolarHBondContact O-N 3.32Å; K89-A93 VanDerWaalsContact O-N 3.09Å
90E98.7Very high98.6Very high64 Ų6467.2 Ų67.230%0.29934%0.338SS..Hα-helixtrans-68.9-22172.3-68170.1-146.800112.5K27 R86 I87 L94K27-E90 HydrophobicContact CD-CB 3.88Å; K27-E90 IonicContact NZ-OE2 3.56Å; K27-E90 PolarHBondContact NZ-OE2 3.22Å; R86-E90 WeakPolarHBondContact CD-OE1 3.47Å; R86-E90 WeakPolarHBondContact CG-OE1 3.28Å; R86-E90 IonicContact CZ-OE1 3.85Å; R86-E90 IonicContact NE-OE1 3.7Å; R86-E90 PolarHBondContact NE-OE1 3.12Å; R86-E90 WeakPolarHBondContact O-CG 3.38Å; R86-E90 PolarHBondContact O-N 3.2Å; I87-E90 CarbonylContact O-C 3.56Å; I87-E90 WeakPolarHBondContact O-CB 3.23Å; I87-E90 PolarHBondContact O-N 3.05Å; E90-L94 WeakPolarHBondContact O-CG 3.2Å
91I98.8Very high98.5Very high12 Ų1267.5 Ų67.56%0.06234%0.34CS..Hα-helixtrans-80.2-49.6170.7-73163.6000110.4I24 K27 R28 I31 I87 E88 K89 A93 L94 E95I24-I91 HydrophobicContact CG2-CG2 4.17Å; K27-I91 HydrophobicContact CB-CD1 3.73Å; K27-I91 HydrophobicContact CB-CG1 3.45Å; K27-I91 VanDerWaalsContact CB-CG1 3.45Å; K27-I91 HydrophobicContact CD-CG1 3.87Å; K27-I91 HydrophobicContact CG-CG1 4.33Å; R28-I91 HydrophobicContact CB-CD1 4.49Å; R28-I91 HydrophobicContact CG-CD1 3.73Å; I31-I91 HydrophobicContact CD1-CD1 3.33Å; I87-I91 HydrophobicContact CG2-CD1 4.36Å; I87-I91 WeakPolarHBondContact O-CG1 3.49Å; I87-I91 PolarHBondContact O-N 3.42Å; E88-I91 WeakPolarHBondContact O-CB 3.38Å; E88-I91 PolarHBondContact O-N 2.84Å; E88-I91 VanDerWaalsContact O-N 3.16Å; K89-I91 PolarHBondContact O-N 3.19Å; I91-A93 PolarHBondContact O-N 3.02Å; I91-L94 CarbonylContact O-C 3.55Å; I91-L94 WeakPolarHBondContact O-CA 3.49Å; I91-L94 WeakPolarHBondContact O-CB 3.45Å; I91-L94 PolarHBondContact O-N 2.96Å; I91-E95 HydrophobicContact CG2-CG 4.08Å; I91-E95 WeakPolarHBondContact CG2-OE1 3.24Å; I91-E95 WeakPolarHBondContact O-CG 3.33Å; I91-E95 PolarHBondContact O-N 2.77Å
92E98.7Very high98.5Very high102 Ų10265.2 Ų65.248%0.47733%0.332SS..Hα-helixtrans-51.6-45.3177.9-171-163.7163.700111.3E88 L94 E95 Q96E88-E92 PolarHBondContact O-N 3.38Å; E92-L94 VanDerWaalsContact C-N 3.32Å; E92-L94 PolarHBondContact O-N 2.76Å; E92-E95 PolarHBondContact O-N 2.64Å; E92-Q96 VanDerWaalsContact O-CG 3.29Å; E92-Q96 WeakPolarHBondContact O-CG 3.46Å; E92-Q96 PolarHBondContact O-N 2.88Å; E92-Q96 PolarHBondContact OE1-NE2 2.96Å
93A98.7Very high98.5Very high56 Ų5668.5 Ų68.546%0.46334%0.338SS..Hα-helixtrans-67.3-27.2176.700000114.1K89 I91 K97K89-A93 WeakPolarHBondContact O-CB 3.24Å; K89-A93 PolarHBondContact O-N 3.32Å; K89-A93 VanDerWaalsContact O-N 3.09Å; I91-A93 PolarHBondContact O-N 3.02Å; A93-K97 WeakPolarHBondContact O-CB 3.32Å; A93-K97 PolarHBondContact O-N 3.11Å
94L98.6Very high98.4Very high27 Ų2770.8 Ų70.814%0.14135%0.35CS..Hα-helixtrans-78.6-38172.9-76.8175000111.7I20 D23 I24 K27 E90 I91 E92 K97 E98I20-L94 HydrophobicContact CG2-CB 4.16Å; I20-L94 HydrophobicContact CG2-CD2 4.31Å; I20-L94 WeakPolarHBondContact CG2-O 3.27Å; D23-L94 HydrophobicContact CB-CD1 4.01Å; I24-L94 HydrophobicContact CD1-CB 3.99Å; I24-L94 HydrophobicContact CG1-CB 3.59Å; I24-L94 HydrophobicContact CG1-CD1 4.1Å; K27-L94 HydrophobicContact CD-CD1 3.86Å; E90-L94 WeakPolarHBondContact O-CG 3.2Å; I91-L94 CarbonylContact O-C 3.55Å; I91-L94 WeakPolarHBondContact O-CA 3.49Å; I91-L94 WeakPolarHBondContact O-CB 3.45Å; I91-L94 PolarHBondContact O-N 2.96Å; E92-L94 VanDerWaalsContact C-N 3.32Å; E92-L94 PolarHBondContact O-N 2.76Å; L94-K97 CarbonylContact O-C 3.58Å; L94-K97 WeakPolarHBondContact O-CA 3.41Å; L94-K97 WeakPolarHBondContact O-CB 3.49Å; L94-K97 PolarHBondContact O-N 3.36Å; L94-K97 VanDerWaalsContact O-N 3.15Å; L94-E98 PolarHBondContact O-N 2.89Å
95E98.3Very high98.3Very high62 Ų6271.2 Ų71.229%0.2935%0.352SS..Hα-helixtrans-65.3-43.9176.3-70.2169170.700110.6I24 R28 I91 E92 K97 E98 L99I24-E95 HydrophobicContact CD1-CG 3.71Å; I24-E95 HydrophobicContact CG1-CG 4.29Å; R28-E95 IonicContact CZ-OE1 2.62Å; R28-E95 IonicContact NE-OE1 3.7Å; R28-E95 IonicContact NH2-OE1 2.7Å; R28-E95 PolarHBondContact NH2-OE1 2.84Å; I91-E95 HydrophobicContact CG2-CG 4.08Å; I91-E95 WeakPolarHBondContact CG2-OE1 3.24Å; I91-E95 WeakPolarHBondContact O-CG 3.33Å; I91-E95 PolarHBondContact O-N 2.77Å; E92-E95 PolarHBondContact O-N 2.64Å; E95-K97 VanDerWaalsContact C-N 3.26Å; E95-K97 PolarHBondContact O-N 3.03Å; E95-E98 WeakPolarHBondContact O-CB 3.43Å; E95-E98 PolarHBondContact O-N 3.22Å; E95-E98 VanDerWaalsContact O-N 3.15Å; E95-L99 WeakPolarHBondContact O-CG 3.41Å; E95-L99 PolarHBondContact O-N 3.48Å
96Q98.6Very high98.2Very high112 Ų11270.4 Ų70.452%0.52335%0.346SS..Hα-helixtrans-57.7-37.9169.9-70.7173.415.700112.4E92 S100E92-Q96 VanDerWaalsContact O-CG 3.29Å; E92-Q96 WeakPolarHBondContact O-CG 3.46Å; E92-Q96 PolarHBondContact O-N 2.88Å; E92-Q96 PolarHBondContact OE1-NE2 2.96Å; Q96-S100 PolarHBondContact O-N 2.93Å
97K98.4Very high98.1Very high111 Ų11168 Ų6848%0.48334%0.34SS..Hα-helixtrans-70.4-37.1175.9-170.6-170.5173.3-159.70112.2I20 A93 L94 E95 S100 I101I20-K97 HydrophobicContact CD1-CD 3.64Å; I20-K97 HydrophobicContact CD1-CG 3.92Å; I20-K97 HydrophobicContact CG1-CD 4.33Å; A93-K97 WeakPolarHBondContact O-CB 3.32Å; A93-K97 PolarHBondContact O-N 3.11Å; L94-K97 CarbonylContact O-C 3.58Å; L94-K97 WeakPolarHBondContact O-CA 3.41Å; L94-K97 WeakPolarHBondContact O-CB 3.49Å; L94-K97 PolarHBondContact O-N 3.36Å; L94-K97 VanDerWaalsContact O-N 3.15Å; E95-K97 VanDerWaalsContact C-N 3.26Å; E95-K97 PolarHBondContact O-N 3.03Å; K97-S100 PolarHBondContact O-N 3.28Å; K97-I101 HydrophobicContact CG-CD1 4.21Å; K97-I101 WeakPolarHBondContact O-CG1 3.39Å; K97-I101 PolarHBondContact O-N 3.06Å
98E98.3Very high98Very high38 Ų3868.1 Ų68.118%0.17834%0.341CS..Hα-helixtrans-64.6-42.3175-159.2-164.4145.100111.6K17 I20 Q21 L94 E95 I101 S102K17-E98 HydrophobicContact CD-CG 4.43Å; K17-E98 VanDerWaalsContact CE-OE1 3.25Å; K17-E98 WeakPolarHBondContact CE-OE1 3.26Å; K17-E98 HydrophobicContact CG-CG 3.86Å; I20-E98 HydrophobicContact CG2-CB 3.91Å; I20-E98 HydrophobicContact CG2-CG 4.3Å; Q21-E98 HydrophobicContact CG-CG 4.43Å; Q21-E98 WeakPolarHBondContact CG-OE1 3.48Å; Q21-E98 WeakPolarHBondContact CG-OE2 3.39Å; Q21-E98 PolarHBondContact NE2-OE1 3.47Å; L94-E98 PolarHBondContact O-N 2.89Å; E95-E98 WeakPolarHBondContact O-CB 3.43Å; E95-E98 PolarHBondContact O-N 3.22Å; E95-E98 VanDerWaalsContact O-N 3.15Å; E98-I101 PolarHBondContact O-N 2.87Å; E98-S102 WeakPolarHBondContact O-CB 3.33Å; E98-S102 PolarHBondContact O-N 3.3Å; E98-S102 PolarHBondContact O-OG 3.04Å
99L98.3Very high97.8Very high126 Ų12667.1 Ų67.166%0.6634%0.338SS*.Hα-helixtrans-61-44.7173.3-69.3171.3000111.3E95 I101 S102 F103E95-L99 WeakPolarHBondContact O-CG 3.41Å; E95-L99 PolarHBondContact O-N 3.48Å; L99-I101 PolarHBondContact O-N 3.43Å; L99-S102 PolarHBondContact O-N 3.05Å; L99-F103 WeakPolarHBondContact O-CB 3.37Å; L99-F103 PolarHBondContact O-N 3.42Å
100S98.2Very high97.6Very high64 Ų6465.6 Ų65.645%0.44833%0.332SS..Hα-helixtrans-61.8-40.3176178.30000113Q96 K97 N104Q96-S100 PolarHBondContact O-N 2.93Å; K97-S100 PolarHBondContact O-N 3.28Å; S100-N104 VanDerWaalsContact O-CG 3.23Å; S100-N104 PolarHBondContact O-N 3.28Å; S100-N104 VanDerWaalsContact O-N 3.09Å; S100-N104 PolarHBondContact O-ND2 3.15Å
101I98Very high97.4Very high25 Ų2568.5 Ų68.513%0.12834%0.34CS..Hα-helixtrans-69.8-38.2176.1-72.1162.1000111.2A13 D16 K17 I20 K97 E98 L99 N104 E105A13-I101 HydrophobicContact CB-CG2 4.08Å; A13-I101 WeakPolarHBondContact O-CG2 3.41Å; D16-I101 HydrophobicContact CB-CD1 4.35Å; K17-I101 HydrophobicContact CB-CG2 4.05Å; I20-I101 HydrophobicContact CD1-CD1 3.26Å; K97-I101 HydrophobicContact CG-CD1 4.21Å; K97-I101 WeakPolarHBondContact O-CG1 3.39Å; K97-I101 PolarHBondContact O-N 3.06Å; E98-I101 PolarHBondContact O-N 2.87Å; L99-I101 PolarHBondContact O-N 3.43Å; I101-N104 PolarHBondContact O-N 2.95Å; I101-E105 PolarHBondContact O-N 2.67Å
102S97.9Very high97.2Very high29 Ų2968.8 Ų68.820%0.20334%0.341CS..Hα-helixtrans-63.6-40.7175.7-55.70000111.9K17 E98 L99 N104 E105 E106K17-S102 WeakPolarHBondContact CE-OG 3.07Å; K17-S102 PolarHBondContact NZ-OG 3.42Å; E98-S102 WeakPolarHBondContact O-CB 3.33Å; E98-S102 PolarHBondContact O-N 3.3Å; E98-S102 PolarHBondContact O-OG 3.04Å; L99-S102 PolarHBondContact O-N 3.05Å; S102-N104 VanDerWaalsContact C-N 3.35Å; S102-E105 PolarHBondContact O-N 3.48Å; S102-E106 WeakPolarHBondContact O-CB 3.49Å; S102-E106 PolarHBondContact O-N 3.02Å
103F97.8Very high96.7Very high137 Ų13771.9 Ų71.960%0.60135%0.353SS*.Hα-helixtrans-63.4-39173.8178.2-100.5000112.4L99 E106 I107L99-F103 WeakPolarHBondContact O-CB 3.37Å; L99-F103 PolarHBondContact O-N 3.42Å; F103-E106 PolarHBondContact O-N 3.43Å; F103-I107 HydrophobicContact CD1-CD1 3.96Å; F103-I107 HydrophobicContact CE1-CD1 3.5Å; F103-I107 VanDerWaalsContact CE1-CD1 3.5Å; F103-I107 HydrophobicContact CZ-CD1 3.88Å; F103-I107 WeakPolarHBondContact O-CG1 3.49Å; F103-I107 PolarHBondContact O-N 2.84Å
104N96.3Very high96.3Very high78 Ų7876.8 Ų76.842%0.41737%0.367SS..Hα-helixtrans-69.9-40.5175-66.3-18000111.9S100 I101 S102 E106 I107 V108S100-N104 VanDerWaalsContact O-CG 3.23Å; S100-N104 PolarHBondContact O-N 3.28Å; S100-N104 VanDerWaalsContact O-N 3.09Å; S100-N104 PolarHBondContact O-ND2 3.15Å; I101-N104 PolarHBondContact O-N 2.95Å; S102-N104 VanDerWaalsContact C-N 3.35Å; N104-E106 VanDerWaalsContact C-N 3.29Å; N104-E106 PolarHBondContact O-N 3.28Å; N104-I107 PolarHBondContact O-N 2.84Å; N104-V108 WeakPolarHBondContact O-CG2 3.44Å; N104-V108 PolarHBondContact O-N 2.95Å
105E97Very high95.6Very high23 Ų2377.8 Ų77.811%0.10737%0.373CS..Hα-helixtrans-57.8-43.3174.1-164.5-167.5161.300111R10 A13 I14 I101 S102 I107 V108 L109R10-E105 HydrophobicContact CG-CG 3.74Å; R10-E105 IonicContact CZ-OE1 3.72Å; R10-E105 IonicContact NE-OE1 3.03Å; R10-E105 PolarHBondContact NE-OE1 2.89Å; R10-E105 IonicContact NH2-OE1 3.46Å; R10-E105 PolarHBondContact NH2-OE1 3.26Å; A13-E105 HydrophobicContact CB-CB 4.09Å; A13-E105 HydrophobicContact CB-CG 4.23Å; I14-E105 VanDerWaalsContact CG1-OE1 3.31Å; I14-E105 WeakPolarHBondContact CG1-OE1 3.3Å; I101-E105 PolarHBondContact O-N 2.67Å; S102-E105 PolarHBondContact O-N 3.48Å; E105-I107 VanDerWaalsContact C-N 3.33Å; E105-I107 PolarHBondContact O-N 3.01Å; E105-V108 PolarHBondContact O-N 2.86Å; E105-V108 VanDerWaalsContact O-N 3.17Å; E105-L109 HydrophobicContact CG-CD1 4.42Å; E105-L109 WeakPolarHBondContact O-CB 3.45Å; E105-L109 PolarHBondContact O-N 3.25Å
106E97Very high94.8Very high85 Ų8581.1 Ų81.140%0.39739%0.389SS..Hα-helixtrans-64-32.9177.617761.5-171.400113.2S102 F103 N104 K110S102-E106 WeakPolarHBondContact O-CB 3.49Å; S102-E106 PolarHBondContact O-N 3.02Å; F103-E106 PolarHBondContact O-N 3.43Å; N104-E106 VanDerWaalsContact C-N 3.29Å; N104-E106 PolarHBondContact O-N 3.28Å; E106-K110 WeakPolarHBondContact O-CG 3.35Å; E106-K110 PolarHBondContact O-N 3.39Å; E106-K110 VanDerWaalsContact O-N 3.16Å; E106-K110 WeakPolarHBondContact OE1-CE 3.5Å; E106-K110 IonicContact OE1-NZ 2.62Å; E106-K110 PolarHBondContact OE1-NZ 3.21Å
107I96.8Very high93.6Very high58 Ų5882.5 Ų82.530%0.29739%0.39SS..Hα-helixtrans-69.9-41.7172-70.1167.7000110.9F103 N104 E105 K110 R111F103-I107 HydrophobicContact CD1-CD1 3.96Å; F103-I107 HydrophobicContact CE1-CD1 3.5Å; F103-I107 VanDerWaalsContact CE1-CD1 3.5Å; F103-I107 HydrophobicContact CZ-CD1 3.88Å; F103-I107 WeakPolarHBondContact O-CG1 3.49Å; F103-I107 PolarHBondContact O-N 2.84Å; N104-I107 PolarHBondContact O-N 2.84Å; E105-I107 VanDerWaalsContact C-N 3.33Å; E105-I107 PolarHBondContact O-N 3.01Å; I107-K110 PolarHBondContact O-N 3.42Å; I107-R111 WeakPolarHBondContact O-CG 3.43Å; I107-R111 PolarHBondContact O-N 3.33Å; I107-R111 VanDerWaalsContact O-N 3.16Å
108V96Very high92.5Very high4 Ų479.9 Ų79.92%0.02438%0.383CS..Hα-helixtrans-66.3-39.3176.9177.50000110.8L6 E9 R10 N104 E105 K110 R111 L112L6-V108 HydrophobicContact CB-CG1 4.2Å; L6-V108 HydrophobicContact CD2-CG1 4.18Å; L6-V108 WeakPolarHBondContact O-CG1 3.39Å; E9-V108 HydrophobicContact CB-CG1 4.34Å; E9-V108 HydrophobicContact CB-CG2 4.37Å; E9-V108 HydrophobicContact CG-CG2 3.88Å; R10-V108 HydrophobicContact CB-CG1 3.88Å; N104-V108 WeakPolarHBondContact O-CG2 3.44Å; N104-V108 PolarHBondContact O-N 2.95Å; E105-V108 PolarHBondContact O-N 2.86Å; E105-V108 VanDerWaalsContact O-N 3.17Å; V108-K110 PolarHBondContact O-N 3.4Å; V108-R111 PolarHBondContact O-N 3.04Å; V108-L112 HydrophobicContact CG1-CD1 4.1Å; V108-L112 HydrophobicContact CG1-CG 4.42Å; V108-L112 WeakPolarHBondContact O-CB 3.4Å; V108-L112 WeakPolarHBondContact O-CG 2.92Å; V108-L112 PolarHBondContact O-N 3.13Å
109L95.2Very high91.2Very high54 Ų5481.8 Ų81.828%0.28340%0.398SS..Hα-helixtrans-58.7-44.1173.8-89167.4000113E105 L112 K113E105-L109 HydrophobicContact CG-CD1 4.42Å; E105-L109 WeakPolarHBondContact O-CB 3.45Å; E105-L109 PolarHBondContact O-N 3.25Å; L109-L112 PolarHBondContact O-N 3.18Å; L109-K113 PolarHBondContact O-N 3.14Å
110K94.7Very high90Very high111 Ų11181.7 Ų81.748%0.48340%0.395SS..Hα-helixtrans-62.5-45.8175.7-77.1164.9179.9145.60111.9E106 I107 V108 L112 K113 E114E106-K110 WeakPolarHBondContact O-CG 3.35Å; E106-K110 PolarHBondContact O-N 3.39Å; E106-K110 VanDerWaalsContact O-N 3.16Å; E106-K110 WeakPolarHBondContact OE1-CE 3.5Å; E106-K110 IonicContact OE1-NZ 2.62Å; E106-K110 PolarHBondContact OE1-NZ 3.21Å; I107-K110 PolarHBondContact O-N 3.42Å; V108-K110 PolarHBondContact O-N 3.4Å; K110-L112 VanDerWaalsContact C-N 3.35Å; K110-L112 PolarHBondContact O-N 3.47Å; K110-K113 PolarHBondContact O-N 3.1Å; K110-E114 WeakPolarHBondContact O-CG 3.34Å; K110-E114 PolarHBondContact O-N 2.84Å
111R93.9Very high89Confident124 Ų12481.6 Ų81.647%0.46839%0.389SS..Hα-helixtrans-63.4-37.9175.4-69.5176.3-179.8167.51.2113L6 I107 V108 E114 V115L6-R111 HydrophobicContact CD1-CB 3.92Å; L6-R111 HydrophobicContact CD2-CB 4.04Å; I107-R111 WeakPolarHBondContact O-CG 3.43Å; I107-R111 PolarHBondContact O-N 3.33Å; I107-R111 VanDerWaalsContact O-N 3.16Å; V108-R111 PolarHBondContact O-N 3.04Å; R111-E114 PolarHBondContact O-N 3.37Å; R111-V115 WeakPolarHBondContact O-CB 3.49Å; R111-V115 VanDerWaalsContact O-CG2 3.29Å; R111-V115 WeakPolarHBondContact O-CG2 3.28Å; R111-V115 PolarHBondContact O-N 3.1Å
112L93.9Very high88.1Confident18 Ų1884.3 Ų84.39%0.09440%0.403CS..Hα-helixtrans-59-48.1173.7-78.6167.2000110.6L6 L7 R10 V108 L109 K110 E114 V115 E116L6-L112 HydrophobicContact CB-CD2 3.53Å; L6-L112 HydrophobicContact CB-CG 3.88Å; L6-L112 HydrophobicContact CD1-CD2 4.42Å; L7-L112 HydrophobicContact CD2-CD1 3.99Å; L7-L112 HydrophobicContact CD2-CD2 3.82Å; L7-L112 HydrophobicContact CG-CD2 3.73Å; R10-L112 HydrophobicContact CB-CD1 4.31Å; V108-L112 HydrophobicContact CG1-CD1 4.1Å; V108-L112 HydrophobicContact CG1-CG 4.42Å; V108-L112 WeakPolarHBondContact O-CB 3.4Å; V108-L112 WeakPolarHBondContact O-CG 2.92Å; V108-L112 PolarHBondContact O-N 3.13Å; L109-L112 PolarHBondContact O-N 3.18Å; K110-L112 VanDerWaalsContact C-N 3.35Å; K110-L112 PolarHBondContact O-N 3.47Å; L112-E114 VanDerWaalsContact C-N 3.26Å; L112-E114 PolarHBondContact O-N 3.42Å; L112-V115 PolarHBondContact O-N 2.84Å; L112-V115 VanDerWaalsContact O-N 3.08Å; L112-E116 WeakPolarHBondContact O-CB 3.43Å; L112-E116 PolarHBondContact O-N 3.45Å
113K89.7Confident87.2Confident168 Ų16887.4 Ų87.473%0.7342%0.416SS*.Hα-helixtrans-64.4-26.3177-171173.5-177.7174.60114L109 K110L109-K113 PolarHBondContact O-N 3.14Å; K110-K113 PolarHBondContact O-N 3.1Å
114E89.1Confident86.5Confident159 Ų15987.5 Ų87.574%0.74342%0.416SS*.Hα-helixtrans-78.6-24.1173.4-72168.2-169.300113.3K110 R111 L112K110-E114 WeakPolarHBondContact O-CG 3.34Å; K110-E114 PolarHBondContact O-N 2.84Å; R111-E114 PolarHBondContact O-N 3.37Å; L112-E114 VanDerWaalsContact C-N 3.26Å; L112-E114 PolarHBondContact O-N 3.42Å
115V85.2Confident85.6Confident47 Ų4787.7 Ų87.729%0.28542%0.418SS..Hα-helixtrans-99.1-23.3-178.3173.70000112.5E3 L6 R111 L112 R117E3-V115 HydrophobicContact CB-CG1 3.73Å; E3-V115 HydrophobicContact CG-CG1 4.21Å; L6-V115 HydrophobicContact CD1-CG2 4.18Å; R111-V115 WeakPolarHBondContact O-CB 3.49Å; R111-V115 VanDerWaalsContact O-CG2 3.29Å; R111-V115 WeakPolarHBondContact O-CG2 3.28Å; R111-V115 PolarHBondContact O-N 3.1Å; L112-V115 PolarHBondContact O-N 2.84Å; L112-V115 VanDerWaalsContact O-N 3.08Å; V115-R117 PolarHBondContact O-N 3.21Å
116E79.9Confident84.7Confident132 Ų13291.3 Ų91.362%0.61744%0.437SS*.SBendtrans-57.4117.5178.5-175.8167.9-152.300111.4L112 T118L112-E116 WeakPolarHBondContact O-CB 3.43Å; L112-E116 PolarHBondContact O-N 3.45Å; E116-T118 PolarHBondContact O-N 3.47Å
117R74.5Confident83.6Confident142 Ų14292.8 Ų92.854%0.53645%0.448SS..PPolyproline II helixtrans-68.8120176.6-78.1-63.5-152.6100-3.5109.6V115 I122 D125V115-R117 PolarHBondContact O-N 3.21Å; R117-I122 HydrophobicContact CB-CD1 4.03Å; R117-I122 HydrophobicContact CB-CG1 4.06Å; R117-D125 IonicContact CZ-OD2 3.49Å; R117-D125 IonicContact NH1-OD2 2.73Å; R117-D125 PolarHBondContact NH1-OD2 3.04Å; R117-D125 IonicContact NH2-OD2 3.29Å; R117-D125 PolarHBondContact NH2-OD2 3.1Å
118T75.6Confident82.5Confident56 Ų5693.3 Ų93.334%0.34446%0.461SS..PPolyproline II helixtrans-58.9142.9171.972.10000110.2E116 E120 D121 I122E116-T118 PolarHBondContact O-N 3.47Å; T118-E120 PolarHBondContact O-N 2.86Å; T118-D121 PolarHBondContact O-N 2.77Å; T118-D121 VanDerWaalsContact O-N 3.12Å; T118-D121 WeakPolarHBondContact OG1-CB 3.29Å; T118-D121 PolarHBondContact OG1-N 2.89Å; T118-D121 PolarHBondContact OG1-OD2 3.28Å; T118-I122 PolarHBondContact O-N 2.8Å; T118-I122 VanDerWaalsContact O-N 3.13Å
119P71.3Confident80.7Confident77 Ų77101.2 Ų101.250%0.550%0.497SS..Hα-helixtrans-61.1-29.1174.324-30.8000111.2I122 I123P119-I122 PolarHBondContact O-N 2.95Å; P119-I123 WeakPolarHBondContact O-CB 3.45Å; P119-I123 WeakPolarHBondContact O-CD1 3.47Å; P119-I123 WeakPolarHBondContact O-CG1 3.44Å; P119-I123 PolarHBondContact O-N 3.45Å
120E72.8Confident78.8Confident125 Ų125106.9 Ų106.958%0.58452%0.52SS*.Hα-helixtrans-59.5-46.6172.1-68.365.5-143.900112T118 I123 K124T118-E120 PolarHBondContact O-N 2.86Å; E120-I123 PolarHBondContact O-N 3.16Å; E120-K124 WeakPolarHBondContact O-CB 3.39Å; E120-K124 PolarHBondContact O-N 3.14Å
121D76.1Confident76.8Confident61 Ų61108.8 Ų108.833%0.32653%0.531SS..Hα-helixtrans-69.1-33.9177.6-70.4-49.3000112.1T118 K124 D125T118-D121 PolarHBondContact O-N 2.77Å; T118-D121 VanDerWaalsContact O-N 3.12Å; T118-D121 WeakPolarHBondContact OG1-CB 3.29Å; T118-D121 PolarHBondContact OG1-N 2.89Å; T118-D121 PolarHBondContact OG1-OD2 3.28Å; D121-K124 PolarHBondContact O-N 3.43Å; D121-K124 IonicContact OD1-NZ 3.75Å; D121-D125 WeakPolarHBondContact O-CB 3.36Å; D121-D125 PolarHBondContact O-N 3.41Å
122I78.8Confident74.9Confident82 Ų82108.5 Ų108.542%0.42155%0.545SS..Hα-helixtrans-65.1-45.9173.1-63.1169.6000110.5R117 T118 P119 K124 L126R117-I122 HydrophobicContact CB-CD1 4.03Å; R117-I122 HydrophobicContact CB-CG1 4.06Å; T118-I122 PolarHBondContact O-N 2.8Å; T118-I122 VanDerWaalsContact O-N 3.13Å; P119-I122 PolarHBondContact O-N 2.95Å; I122-K124 PolarHBondContact O-N 3.21Å; I122-L126 HydrophobicContact CG2-CD1 4.15Å; I122-L126 WeakPolarHBondContact O-CB 3.3Å; I122-L126 VanDerWaalsContact O-CG 3.29Å; I122-L126 WeakPolarHBondContact O-CG 3.38Å; I122-L126 PolarHBondContact O-N 3.26Å
123I80.6Confident72.8Confident95 Ų95114.9 Ų114.949%0.48758%0.579SS.*Hα-helixtrans-61.2-36175.1-72164.5000110.6P119 E120 N127P119-I123 WeakPolarHBondContact O-CB 3.45Å; P119-I123 WeakPolarHBondContact O-CD1 3.47Å; P119-I123 WeakPolarHBondContact O-CG1 3.44Å; P119-I123 PolarHBondContact O-N 3.45Å; E120-I123 PolarHBondContact O-N 3.16Å; I123-N127 WeakPolarHBondContact CG2-ND2 3.49Å; I123-N127 WeakPolarHBondContact O-CB 3.38Å; I123-N127 PolarHBondContact O-N 3.34Å; I123-N127 PolarHBondContact O-ND2 3.45Å
124K82.8Confident71Confident138 Ų138111.9 Ų111.960%0.658%0.575SS**Hα-helixtrans-76-40.6-178.2-171.2179177.6-172.50112.8E120 D121 I122 N127 A128E120-K124 WeakPolarHBondContact O-CB 3.39Å; E120-K124 PolarHBondContact O-N 3.14Å; D121-K124 PolarHBondContact O-N 3.43Å; D121-K124 IonicContact OD1-NZ 3.75Å; I122-K124 PolarHBondContact O-N 3.21Å; K124-N127 PolarHBondContact O-N 3.43Å; K124-A128 WeakPolarHBondContact O-CB 3.41Å; K124-A128 PolarHBondContact O-N 2.84Å
125D77.1Confident69.4Low83 Ų83110.8 Ų110.844%0.44458%0.581SS.*Hα-helixtrans-59.9-48.1170.2-79.2-11.9000109.9R117 D121 N127 A128 E129R117-D125 IonicContact CZ-OD2 3.49Å; R117-D125 IonicContact NH1-OD2 2.73Å; R117-D125 PolarHBondContact NH1-OD2 3.04Å; R117-D125 IonicContact NH2-OD2 3.29Å; R117-D125 PolarHBondContact NH2-OD2 3.1Å; D121-D125 WeakPolarHBondContact O-CB 3.36Å; D121-D125 PolarHBondContact O-N 3.41Å; D125-N127 PolarHBondContact O-N 3.01Å; D125-A128 WeakPolarHBondContact O-CB 3.4Å; D125-A128 PolarHBondContact O-N 3.44Å; D125-E129 PolarHBondContact O-N 3.45Å
126L77.7Confident67.4Low99 Ų99118.4 Ų118.452%0.51861%0.606SS.*Hα-helixtrans-59.6-43.1176.6-73.6169.7000112.8I122 A128 F130I122-L126 HydrophobicContact CG2-CD1 4.15Å; I122-L126 WeakPolarHBondContact O-CB 3.3Å; I122-L126 VanDerWaalsContact O-CG 3.29Å; I122-L126 WeakPolarHBondContact O-CG 3.38Å; I122-L126 PolarHBondContact O-N 3.26Å; L126-A128 VanDerWaalsContact C-N 3.27Å; L126-A128 PolarHBondContact O-N 3.24Å; L126-F130 WeakPolarHBondContact O-CD2 3.29Å
127N73.8Confident65.7Low116 Ų116116.8 Ų116.862%0.6261%0.609SS**Hα-helixtrans-71.3-19.3176.2-79.1-66.4000113.3I123 K124 D125I123-N127 WeakPolarHBondContact CG2-ND2 3.49Å; I123-N127 WeakPolarHBondContact O-CB 3.38Å; I123-N127 PolarHBondContact O-N 3.34Å; I123-N127 PolarHBondContact O-ND2 3.45Å; K124-N127 PolarHBondContact O-N 3.43Å; D125-N127 PolarHBondContact O-N 3.01Å
128A73.3Confident64.3Low69 Ų69115.7 Ų115.757%0.5762%0.624SS**Hα-helixtrans-83.6-28.4178.100000113.3K124 D125 L126 F130K124-A128 WeakPolarHBondContact O-CB 3.41Å; K124-A128 PolarHBondContact O-N 2.84Å; D125-A128 WeakPolarHBondContact O-CB 3.4Å; D125-A128 PolarHBondContact O-N 3.44Å; L126-A128 VanDerWaalsContact C-N 3.27Å; L126-A128 PolarHBondContact O-N 3.24Å; A128-F130 VanDerWaalsContact C-N 3.32Å
129E59.1Low62.6Low169 Ų169120.8 Ų120.879%0.7965%0.648SS**Hα-helixtrans-72.7-23.4173.6-68.4-162.5133.500113D125 Q131D125-E129 PolarHBondContact O-N 3.45Å; E129-Q131 PolarHBondContact O-N 3.16Å
130F56.1Low61.3Low173 Ų173126.4 Ų126.476%0.75967%0.665SS**  trans-80.478.5176.9-88.5-85.8000113.2L126 A128L126-F130 WeakPolarHBondContact O-CD2 3.29Å; A128-F130 VanDerWaalsContact C-N 3.32Å
131Q51.7Low59.9Low151 Ų151126.1 Ų126.171%0.70667%0.672SS**  trans-67.1126.6160.2-74.8-70.2-13.300110.3E129 D133E129-Q131 PolarHBondContact O-N 3.16Å; Q131-D133 PolarHBondContact O-N 2.92Å
132P54Low58Low118 Ų118132 Ų13277%0.76670%0.697SS**  trans-81.529.1-170.433.8-37.4000114.9V134P132-V134 PolarHBondContact O-N 2.97Å
133D50.3Low56Low152 Ų152134.9 Ų134.981%0.81371%0.713SS**  trans-90.978.8-179.8-92.6-24.8000112.3Q131Q131-D133 PolarHBondContact O-N 2.92Å
134V50.6Low54.5Low106 Ų106137.5 Ų137.564%0.64273%0.727SS**  trans169.9126.2136.5151.40000109P132 Y136P132-V134 PolarHBondContact O-N 2.97Å; V134-Y136 HydrophobicContact CG1-CD2 3.72Å; V134-Y136 HydrophobicContact CG1-CG 4.41Å; V134-Y136 PolarHBondContact O-N 2.96Å
135P57.2Low52.5Low135 Ų135136.3 Ų136.388%0.87773%0.733SS**  trans-78.487.4176.532.1-34.2000110.7
136Y42.8Very low50.6Low207 Ų207139 Ų13981%0.81275%0.747SS**  trans-106.8141171.4-117.6-103.4000113.3V134V134-Y136 HydrophobicContact CG1-CD2 3.72Å; V134-Y136 HydrophobicContact CG1-CG 4.41Å; V134-Y136 PolarHBondContact O-N 2.96Å
137S44Very low48.9Very low98 Ų98141.8 Ų141.869%0.68576%0.761SS**  trans-51.9139.5-169.6-55.60000113.8L139S137-L139 PolarHBondContact O-N 3.23Å
138S44.4Very low47.2Very low119 Ų119144.5 Ų144.583%0.83277%0.768SS**  trans-47.4112.7166.8-460000110.3K140S138-K140 PolarHBondContact O-N 2.92Å
139L40.8Very low45.1Very low164 Ų164146.6 Ų146.686%0.85978%0.779SS**  trans-61.6113.4170.2-98.470.5000107.4S137 T141S137-L139 PolarHBondContact O-N 3.23Å; L139-T141 PolarHBondContact O-N 2.97Å
140K43.2Very low44.5Very low195 Ų195147.7 Ų147.785%0.84878%0.784SS**  trans-60.2105.8166.1-72.3177.7176.3177.90107.3S138 Q142S138-K140 PolarHBondContact O-N 2.92Å; K140-Q142 PolarHBondContact O-N 2.89Å
141T42.7Very low43.3Very low119 Ų119144.8 Ų144.873%0.7379%0.785SS**  trans-52.4113.2162.331.40000107.5L139 N143L139-T141 PolarHBondContact O-N 2.97Å; T141-N143 PolarHBondContact O-N 3.1Å; T141-N143 VanDerWaalsContact O-N 3.08Å
142Q38.1Very low42.4Very low183 Ų183147.4 Ų147.486%0.85579%0.794SS**  trans-70.2108171.6-65.5-171.923.200106.2K140 I144K140-Q142 PolarHBondContact O-N 2.89Å; Q142-I144 PolarHBondContact O-N 3.03Å
143N35Very low41.7Very low143 Ų143146 Ų14677%0.76579%0.792SS**  trans-57.4108.6-177.7-72.3-78.3000109.8T141 P145T141-N143 PolarHBondContact O-N 3.1Å; T141-N143 VanDerWaalsContact O-N 3.08Å; N143-P145 VanDerWaalsContact O-CD 3.31Å; N143-P145 WeakPolarHBondContact O-CD 3.46Å
144I50.4Low40.8Very low150 Ų150148 Ų14877%0.76980%0.796SS**  trans-67.5120.7158-59.9176.8000105.4Q142 L146Q142-I144 PolarHBondContact O-N 3.03Å; I144-L146 VanDerWaalsContact C-N 3.34Å; I144-L146 PolarHBondContact O-N 3.02Å
145P40Very low40.3Very low113 Ų113150.5 Ų150.573%0.73481%0.805SS**  trans-72.883.3-174.1-20.334.9000113N143 L147N143-P145 VanDerWaalsContact O-CD 3.31Å; N143-P145 WeakPolarHBondContact O-CD 3.46Å; P145-L147 PolarHBondContact O-N 3.09Å
146L38.6Very low39.4Very low140 Ų140150.3 Ų150.373%0.73380%0.804SS**  trans-73.3112.2157.7-88.4162.8000108.3I144 F148I144-L146 VanDerWaalsContact C-N 3.34Å; I144-L146 PolarHBondContact O-N 3.02Å; L146-F148 HydrophobicContact CB-CD2 4.22Å; L146-F148 HydrophobicContact CB-CE2 4.3Å; L146-F148 HydrophobicContact CD2-CE2 4.47Å; L146-F148 PolarHBondContact O-N 2.8Å
147L40.2Very low38.7Very low157 Ų157144.1 Ų144.182%0.82280%0.802SS**  trans-73.581.5-174.8-81.3163.3000112P145P145-L147 PolarHBondContact O-N 3.09Å
148F37.9Very low38.7Very low173 Ų173146.3 Ų146.376%0.75981%0.811SS**  trans-106.491.2166.1-73-74.7000110.8L146 Q150L146-F148 HydrophobicContact CB-CD2 4.22Å; L146-F148 HydrophobicContact CB-CE2 4.3Å; L146-F148 HydrophobicContact CD2-CE2 4.47Å; L146-F148 PolarHBondContact O-N 2.8Å; F148-Q150 PolarHBondContact O-N 2.89Å
149S30.8Very low38.2Very low114 Ų114149.9 Ų149.980%0.79781%0.812SS**  trans-75.597.5175.4-65.30000111.3
150Q45.9Very low37.8Very low191 Ų191152 Ų15289%0.89382%0.818SS**  trans-95.6109.5165.5-75.3-166.4-3.100111.6F148F148-Q150 PolarHBondContact O-N 2.89Å
151S31.4Very low37.6Very low112 Ų112146.7 Ų146.778%0.78381%0.81SS**  trans-167.3141165.959.60000110.1
152K31.9Very low37.1Very low206 Ų206148.3 Ų148.390%0.89681%0.814SS**  cis-160152.2-16176.5175.5172.2-174.20106.7
153A40.3Very low36.9Very low88 Ų88145.8 Ų145.873%0.72782%0.817SS**  trans-52.6144.8-174.500000116.1
154E29.7Very low37.3Very low194 Ų194142.8 Ų142.891%0.90781%0.811SS**  -164.5151.1126.5-107.5164.1-156.900111.3
155I41.3Very low37.2Very low160 Ų160144 Ų14482%0.82181%0.814SS**  trans-134.1124.2178.6-69.9176.4000104.7
156P38.6Very low37.7Very low131 Ų131145 Ų14585%0.85182%0.818SS**  -148.8139.875.236.8-17.1000117.4
157G28.2Very low39.1Very low76 Ų76143.1 Ų143.178%0.78480%0.804SS**  trans-174.2118.2167.100000111.4K159G157-K159 PolarHBondContact O-N 2.67Å
158V43.6Very low41Very low145 Ų145143 Ų14388%0.87980%0.799SS**  trans-77.1116.5-175.2177.20000111.2
159K34.3Very low43Very low193 Ų193135.4 Ų135.484%0.83977%0.768SS**  trans-178.6120.3133.4-98.9163.3-172.9-171.90108.7G157G157-K159 PolarHBondContact O-N 2.67Å
160E32.6Very low45.5Very low210 Ų210133.5 Ų133.598%0.98175%0.752SS**  trans-70.7136.5174-72.9165113.900110.3
161A37.7Very low47.5Very low82 Ų82129.6 Ų129.668%0.67873%0.732SS**  trans-144.6104.6173.600000109.2
162N32.3Very low50.3Low153 Ų153124.2 Ų124.282%0.81870%0.695SS**  trans53.397.8148.6-50.5-13.7000117.8
163S35Very low53.1Low131 Ų131117.1 Ų117.192%0.91667%0.666SS**  trans-108.748.9140.4-174.50000109.6E165S163-E165 PolarHBondContact O-N 3.48Å
164A43.5Very low55.6Low79 Ų79115.7 Ų115.765%0.65364%0.644SS**  trans-70.7116170.700000108.3T166A164-T166 PolarHBondContact O-N 3.02Å
165E48.4Very low58.5Low176 Ų176108.4 Ų108.482%0.82261%0.612SS**  trans-58.1129.3171.3-163.1162.9-130.300108.6S163 K167S163-E165 PolarHBondContact O-N 3.48Å; E165-K167 VanDerWaalsContact C-N 3.3Å; E165-K167 PolarHBondContact O-N 3.04Å
166T50.5Low60.8Low135 Ų135101.2 Ų101.283%0.82858%0.575SS**  trans-75.783.4-168.252.20000110.6A164 Q168A164-T166 PolarHBondContact O-N 3.02Å; T166-Q168 PolarHBondContact O-N 2.82Å; T166-Q168 VanDerWaalsContact O-N 3.09Å
167K68.1Low63.2Low99 Ų9996.5 Ų96.543%0.4354%0.544SS..  trans-46.7115.2174.6-64.5-173.5175.5-173.90109.5E165 A169 G210 Y433E165-K167 VanDerWaalsContact C-N 3.3Å; E165-K167 PolarHBondContact O-N 3.04Å; K167-A169 PolarHBondContact O-N 3.25Å; K167-G210 VanDerWaalsContact NZ-CA 3.26Å; K167-G210 PolarHBondContact NZ-O 3.36Å; K167-Y433 HydrophobicContact CB-CD1 3.56Å; K167-Y433 HydrophobicContact CB-CE1 4.13Å; K167-Y433 HydrophobicContact CB-CG 4.07Å; K167-Y433 WeakPolarHBondContact O-CD1 3.35Å
168Q78.4Confident66.1Low154 Ų15496.4 Ų96.472%0.7252%0.523SS*.  trans-74.8113.7-177.9-173.4171.2-12.700109.1T166 T170 Y433 E434T166-Q168 PolarHBondContact O-N 2.82Å; T166-Q168 VanDerWaalsContact O-N 3.09Å; Q168-T170 PolarHBondContact O-N 3.02Å; Q168-Y433 WeakPolarHBondContact O-CA 3.48Å; Q168-E434 PolarHBondContact O-N 3.31Å
169A81.1Confident68.1Low14 Ų1492.5 Ų92.512%0.11650%0.495CS..EExtended strand (participates in β ladder)trans-75.8117.9177.300000110.3K167 P196 I431 G432 Y433K167-A169 PolarHBondContact O-N 3.25Å; A169-P196 HydrophobicContact CB-CB 3.4Å; A169-P196 HydrophobicContact CB-CG 4.24Å; A169-P196 WeakPolarHBondContact O-CG 3.48Å; A169-I431 HydrophobicContact CB-CG2 3.47Å; A169-I431 VanDerWaalsContact CB-CG2 3.47Å; A169-G432 CarbonylContact C-O 3.59Å; A169-G432 WeakPolarHBondContact CA-O 3.33Å; A169-Y433 HydrophobicContact CB-CD1 3.75Å; A169-Y433 HydrophobicContact CB-CE1 3.77Å
170T83.3Confident70.5Confident75 Ų7584.8 Ų84.846%0.4646%0.463SS..EExtended strand (participates in β ladder)trans-80.5-33.8-174.8-41.20000112Q168 G432 E434Q168-T170 PolarHBondContact O-N 3.02Å; T170-G432 PolarHBondContact N-O 3.07Å; T170-E434 WeakPolarHBondContact OG1-CB 3.47Å; T170-E434 PolarHBondContact OG1-N 3.46Å; T170-E434 PolarHBondContact OG1-OE2 2.82Å
171F87.1Confident72.8Confident108 Ų10879.4 Ų79.447%0.47444%0.441SS..EExtended strand (participates in β ladder)trans-152.9155.7179.765.5-91.5000111.5I173 I431 G432F171-I173 HydrophobicContact CD2-CD1 4.49Å; F171-I173 HydrophobicContact CD2-CG1 4.4Å; F171-I431 WeakPolarHBondContact O-CA 3.25Å; F171-G432 PolarHBondContact O-N 3.25Å
172A90.2Very high74.7Confident0 Ų086.1 Ų86.10%045%0.449CS..EExtended strand (participates in β ladder)trans-141.1144.6167.700000111.8T193 V194 P196 I199 I429 F430 I431A172-T193 WeakPolarHBondContact O-CA 3.48Å; A172-T193 WeakPolarHBondContact O-CG2 3.4Å; A172-V194 HydrophobicContact CB-CG2 3.83Å; A172-V194 PolarHBondContact O-N 3.07Å; A172-P196 HydrophobicContact CB-CB 4.29Å; A172-I199 HydrophobicContact CB-CD1 3.47Å; A172-I199 VanDerWaalsContact CB-CD1 3.47Å; A172-I429 HydrophobicContact CB-CG2 4.4Å; A172-F430 CarbonylContact C-O 3.49Å; A172-F430 WeakPolarHBondContact CA-O 3.43Å; A172-I431 HydrophobicContact CB-CB 4.47Å; A172-I431 HydrophobicContact CB-CG1 3.92Å; A172-I431 HydrophobicContact CB-CG2 4.48Å
173I91.8Very high76.9Confident57 Ų5782.5 Ų82.529%0.29243%0.433SS..EExtended strand (participates in β ladder)trans-133119.3-177.6-54.8176.8000108.9F171 I175 I429 F430F171-I173 HydrophobicContact CD2-CD1 4.49Å; F171-I173 HydrophobicContact CD2-CG1 4.4Å; I173-I175 HydrophobicContact CG2-CD1 4.43Å; I173-I175 HydrophobicContact CG2-CG1 4.01Å; I173-I429 WeakPolarHBondContact O-CA 3.39Å; I173-F430 PolarHBondContact N-O 3.03Å; I173-F430 PolarHBondContact O-N 3.5Å
174Q91.7Very high79.1Confident57 Ų5778.7 Ų78.727%0.26641%0.414SS..EExtended strand (participates in β ladder)trans-86.9133.9170.2177.2178.3-3000109.5S191 A192 V194 T427 M428 I429Q174-S191 CarbonylContact O-C 3.43Å; Q174-S191 VanDerWaalsContact O-CA 3.29Å; Q174-S191 WeakPolarHBondContact O-CA 3.23Å; Q174-A192 PolarHBondContact N-O 2.94Å; Q174-A192 PolarHBondContact O-N 3.23Å; Q174-V194 HydrophobicContact CB-CG1 3.83Å; Q174-V194 HydrophobicContact CB-CG2 4.07Å; Q174-T427 HydrophobicContact CG-CG2 3.64Å; Q174-M428 CarbonylContact C-O 3.56Å; Q174-M428 WeakPolarHBondContact CA-O 3.38Å; Q174-I429 HydrophobicContact CB-CD1 4.17Å; Q174-I429 HydrophobicContact CB-CG1 3.88Å; Q174-I429 HydrophobicContact CG-CD1 4.22Å; Q174-I429 HydrophobicContact CG-CG1 3.94Å
175I91.3Very high80.9Confident42 Ų4283.6 Ų83.622%0.21542%0.415CS..EExtended strand (participates in β ladder)trans-131.3129.9177.2-52-176.8000107.9I173 V177 V188 S190 T427 M428 F430I173-I175 HydrophobicContact CG2-CD1 4.43Å; I173-I175 HydrophobicContact CG2-CG1 4.01Å; I175-V177 HydrophobicContact CG2-CG2 3.99Å; I175-V188 HydrophobicContact CG2-CG1 3.77Å; I175-V188 HydrophobicContact CG2-CG2 4.3Å; I175-S190 WeakPolarHBondContact CA-O 3.5Å; I175-T427 WeakPolarHBondContact O-CA 3.3Å; I175-M428 PolarHBondContact N-O 3.5Å; I175-M428 PolarHBondContact O-N 3.05Å; I175-F430 HydrophobicContact CD1-CD2 3.97Å; I175-F430 HydrophobicContact CD1-CE2 3.87Å; I175-F430 HydrophobicContact CG1-CD2 4.28Å; I175-F430 HydrophobicContact CG1-CE2 4.31Å
176S89.6Confident82.7Confident9 Ų980.9 Ų80.96%0.06341%0.407CS..EExtended strand (participates in β ladder)trans-112.9135174.7-56.20000110.1V189 S190 V426 T427S176-V189 PolarHBondContact O-N 2.85Å; S176-S190 PolarHBondContact N-O 3.41Å; S176-S190 PolarHBondContact O-N 3.15Å; S176-S190 PolarHBondContact OG-OG 2.87Å; S176-V426 CarbonylContact C-O 3.49Å; S176-V426 WeakPolarHBondContact CA-O 3.44Å; S176-T427 WeakPolarHBondContact CB-OG1 3.41Å; S176-T427 PolarHBondContact OG-OG1 3.44Å
177V89.4Confident84.4Confident32 Ų3279.8 Ų79.819%0.19439%0.392CS..EExtended strand (participates in β ladder)trans-135.2126.3-168.6-172.70000110.5I175 N186 Q187 V188 P425 V426I175-V177 HydrophobicContact CG2-CG2 3.99Å; V177-N186 HydrophobicContact CG1-CB 3.75Å; V177-Q187 CarbonylContact C-O 3.53Å; V177-Q187 WeakPolarHBondContact CA-O 3.47Å; V177-V188 HydrophobicContact CG2-CG2 4.34Å; V177-P425 CarbonylContact O-C 3.47Å; V177-P425 VanDerWaalsContact O-CA 3.31Å; V177-P425 WeakPolarHBondContact O-CA 3.18Å; V177-V426 PolarHBondContact N-O 2.92Å; V177-V426 PolarHBondContact O-N 2.85Å
178E88.9Confident85.4Confident73 Ų7379.3 Ų79.334%0.34140%0.397SS..EExtended strand (participates in β ladder)trans-107144.1-179177.1-168.5139.500109.9N186 Q187 V189 P425E178-N186 CarbonylContact O-C 3.56Å; E178-N186 WeakPolarHBondContact O-CA 3.29Å; E178-Q187 PolarHBondContact N-O 3.31Å; E178-Q187 PolarHBondContact O-N 3.37Å; E178-V189 HydrophobicContact CB-CG2 3.35Å; E178-V189 HydrophobicContact CG-CG2 4.43Å; E178-V189 WeakPolarHBondContact OE2-CG2 3.37Å; E178-P425 HydrophobicContact CB-CB 4.25Å
179H85.6Confident85.7Confident63 Ų6375.5 Ų75.529%0.29238%0.384SS..EExtended strand (participates in β ladder)trans-87.2112172.2-167.463.7000110.2N181 G184 N186 E423H179-N181 VanDerWaalsContact C-N 3.32Å; H179-N181 PolarHBondContact CD2-OD1 3.31Å; H179-N181 PolarHBondContact O-N 2.75Å; H179-G184 VanDerWaalsContact CE1-C 3.46Å; H179-N186 PolarHBondContact ND1-OD1 3.5Å; H179-E423 WeakPolarHBondContact CB-OE2 3.29Å
180N83.7Confident86Confident31 Ų3177.2 Ų77.217%0.16640%0.396CS..EExtended strand (participates in β ladder)trans-77.884.1-179.7-165.9-88.4000110.2R182 T183 G184 R185N180-R182 PolarHBondContact O-N 3.46Å; N180-T183 WeakPolarHBondContact CB-OG1 3.35Å; N180-T183 CarbonylContact O-C 3.58Å; N180-T183 PolarHBondContact O-N 2.92Å; N180-T183 PolarHBondContact O-OG1 3.09Å; N180-T183 WeakPolarHBondContact OD1-CG2 3.5Å; N180-T183 PolarHBondContact OD1-N 2.73Å; N180-T183 PolarHBondContact OD1-OG1 3.48Å; N180-G184 PolarHBondContact O-N 2.88Å; N180-R185 VanDerWaalsContact CB-O 3.25Å; N180-R185 WeakPolarHBondContact CB-O 3.49Å; N180-R185 PolarHBondContact N-O 3.09Å
181N81.4Confident86.3Confident97 Ų9777.5 Ų77.552%0.51940%0.4SS..THydrogen-bonded Turntrans-46.5-33.8-176.1-80.8-33.2000114.9H179 T183H179-N181 VanDerWaalsContact C-N 3.32Å; H179-N181 PolarHBondContact CD2-OD1 3.31Å; H179-N181 PolarHBondContact O-N 2.75Å; N181-T183 VanDerWaalsContact C-N 3.33Å; N181-T183 PolarHBondContact O-N 3.13Å
182R78.1Confident86.3Confident223 Ų22374.7 Ų74.784%0.84240%0.397SS*.THydrogen-bonded Turntrans-71.6-21.7177.6-171.7-176.261.6145.20.6114.2N180N180-R182 PolarHBondContact O-N 3.46Å
183T78.5Confident86.2Confident78 Ų7880.5 Ų80.548%0.47943%0.433SS..THydrogen-bonded Turntrans-121.3-8.6-178.561.90000114.2N180 N181 R185N180-T183 WeakPolarHBondContact CB-OG1 3.35Å; N180-T183 CarbonylContact O-C 3.58Å; N180-T183 PolarHBondContact O-N 2.92Å; N180-T183 PolarHBondContact O-OG1 3.09Å; N180-T183 WeakPolarHBondContact OD1-CG2 3.5Å; N180-T183 PolarHBondContact OD1-N 2.73Å; N180-T183 PolarHBondContact OD1-OG1 3.48Å; N181-T183 VanDerWaalsContact C-N 3.33Å; N181-T183 PolarHBondContact O-N 3.13Å; T183-R185 VanDerWaalsContact C-N 3.31Å; T183-R185 PolarHBondContact O-N 3.39Å
184G80.8Confident85.9Confident50 Ų5079.5 Ų79.552%0.51543%0.429SS..THydrogen-bonded Turntrans66.330.1-178.800000113.3H179 N180H179-G184 VanDerWaalsContact CE1-C 3.46Å; N180-G184 PolarHBondContact O-N 2.88Å
185R82.1Confident85.5Confident183 Ų18381 Ų8169%0.69144%0.439SS*.EExtended strand (participates in β ladder)trans-130.4137.5-172.9-71.6178.8174.8-166.5-6.5111.7N180 T183N180-R185 VanDerWaalsContact CB-O 3.25Å; N180-R185 WeakPolarHBondContact CB-O 3.49Å; N180-R185 PolarHBondContact N-O 3.09Å; T183-R185 VanDerWaalsContact C-N 3.31Å; T183-R185 PolarHBondContact O-N 3.39Å
186N85.4Confident85Confident119 Ų11980 Ų8064%0.63644%0.435SS*.EExtended strand (participates in β ladder)trans-72.4131171.8-683.7000109.9V177 E178 H179V177-N186 HydrophobicContact CG1-CB 3.75Å; E178-N186 CarbonylContact O-C 3.56Å; E178-N186 WeakPolarHBondContact O-CA 3.29Å; H179-N186 PolarHBondContact ND1-OD1 3.5Å
187Q85.7Confident84.4Confident112 Ų11285.6 Ų85.652%0.52347%0.465SS..EExtended strand (participates in β ladder)trans-121.1130.5178.4179.5169.5-6.800110.1V177 E178 V189V177-Q187 CarbonylContact C-O 3.53Å; V177-Q187 WeakPolarHBondContact CA-O 3.47Å; E178-Q187 PolarHBondContact N-O 3.31Å; E178-Q187 PolarHBondContact O-N 3.37Å; Q187-V189 PolarHBondContact O-N 2.83Å
188V88.7Confident83.4Confident88 Ų8887.5 Ų87.553%0.53348%0.479SS..EExtended strand (participates in β ladder)trans-69.9116.3172.4-179.60000109I175 V177 S190I175-V188 HydrophobicContact CG2-CG1 3.77Å; I175-V188 HydrophobicContact CG2-CG2 4.3Å; V177-V188 HydrophobicContact CG2-CG2 4.34Å; V188-S190 WeakPolarHBondContact CG1-O 3.38Å
189V86.2Confident82.6Confident74 Ų7484.2 Ų84.245%0.44846%0.464SS..EExtended strand (participates in β ladder)trans-85.2-39.5177.3-175.60000111S176 E178 Q187 P425S176-V189 PolarHBondContact O-N 2.85Å; E178-V189 HydrophobicContact CB-CG2 3.35Å; E178-V189 HydrophobicContact CG-CG2 4.43Å; E178-V189 WeakPolarHBondContact OE2-CG2 3.37Å; Q187-V189 PolarHBondContact O-N 2.83Å; V189-P425 HydrophobicContact CG2-CB 4.07Å
190S86.9Confident81.7Confident51 Ų5185.5 Ų85.536%0.35747%0.47SS..EExtended strand (participates in β ladder)trans-149.1155.5177.385.20000112.6I175 S176 V188I175-S190 WeakPolarHBondContact CA-O 3.5Å; S176-S190 PolarHBondContact N-O 3.41Å; S176-S190 PolarHBondContact O-N 3.15Å; S176-S190 PolarHBondContact OG-OG 2.87Å; V188-S190 WeakPolarHBondContact CG1-O 3.38Å
191S90.4Very high80.8Confident80 Ų8093.4 Ų93.456%0.55951%0.506SS*.EExtended strand (participates in β ladder)trans-143.8132.7168179.90000108.9Q174Q174-S191 CarbonylContact O-C 3.43Å; Q174-S191 VanDerWaalsContact O-CA 3.29Å; Q174-S191 WeakPolarHBondContact O-CA 3.23Å
192A86.7Confident80.2Confident49 Ų4997.8 Ų97.841%0.40552%0.515SS..EExtended strand (participates in β ladder)trans-149.8134.9-175.900000111.9Q174Q174-A192 PolarHBondContact N-O 2.94Å; Q174-A192 PolarHBondContact O-N 3.23Å
193T88.1Confident79.9Confident123 Ų12387.9 Ų87.976%0.75548%0.482SS*.EExtended strand (participates in β ladder)trans-67.9131.3169.1-43.80000109.8A172A172-T193 WeakPolarHBondContact O-CA 3.48Å; A172-T193 WeakPolarHBondContact O-CG2 3.4Å
194V84.9Confident80.1Confident36 Ų3689.5 Ų89.522%0.21849%0.487CS..EExtended strand (participates in β ladder)trans-126160.5-176.8-74.30000110.8A172 Q174 P196 I199 I429A172-V194 HydrophobicContact CB-CG2 3.83Å; A172-V194 PolarHBondContact O-N 3.07Å; Q174-V194 HydrophobicContact CB-CG1 3.83Å; Q174-V194 HydrophobicContact CB-CG2 4.07Å; V194-P196 WeakPolarHBondContact O-CD 3.39Å; V194-I199 HydrophobicContact CG2-CD1 3.83Å; V194-I429 HydrophobicContact CG2-CG2 3.81Å
195N83.6Confident80.5Confident89 Ų8990.9 Ų90.948%0.47648%0.479SS..  trans-75.8119.1179.7-178.2-6.4000110.2D197 S198 I199N195-D197 VanDerWaalsContact C-N 3.28Å; N195-D197 PolarHBondContact O-N 3.11Å; N195-D197 PolarHBondContact OD1-N 2.74Å; N195-S198 PolarHBondContact O-N 2.88Å; N195-S198 VanDerWaalsContact O-N 3.12Å; N195-S198 PolarHBondContact O-OG 3.38Å; N195-I199 VanDerWaalsContact O-CD1 3.32Å; N195-I199 WeakPolarHBondContact O-CD1 3.31Å
196P80.2Confident80.8Confident19 Ų1986 Ų8612%0.12347%0.469CS..G310 helixtrans-48.8-44.3179.215.8-30.5000114.3A169 A172 V194 S198 I199 I431A169-P196 HydrophobicContact CB-CB 3.4Å; A169-P196 HydrophobicContact CB-CG 4.24Å; A169-P196 WeakPolarHBondContact O-CG 3.48Å; A172-P196 HydrophobicContact CB-CB 4.29Å; V194-P196 WeakPolarHBondContact O-CD 3.39Å; P196-S198 PolarHBondContact O-N 3.19Å; P196-I199 PolarHBondContact O-N 2.66Å; P196-I431 HydrophobicContact CB-CG2 4.48Å
197D76.9Confident80.8Confident128 Ų12886.2 Ų86.268%0.68446%0.462SS*.G310 helixtrans-60.9-23.2-175-57.8-32.8000113.3N195N195-D197 VanDerWaalsContact C-N 3.28Å; N195-D197 PolarHBondContact O-N 3.11Å; N195-D197 PolarHBondContact OD1-N 2.74Å
198S68.6Low81Confident71 Ų7185 Ų8550%0.49746%0.459SS..G310 helixtrans-91.7-2.6-169.367.30000115.3N195 P196N195-S198 PolarHBondContact O-N 2.88Å; N195-S198 VanDerWaalsContact O-N 3.12Å; N195-S198 PolarHBondContact O-OG 3.38Å; P196-S198 PolarHBondContact O-N 3.19Å
199I73.1Confident80.7Confident5 Ų584.4 Ų84.43%0.02645%0.453CS..THydrogen-bonded Turntrans-99.7-31.1-167.5-63.5142.4000112.7A172 V194 N195 P196 E201 R202 G203 Y215 I429 I431A172-I199 HydrophobicContact CB-CD1 3.47Å; A172-I199 VanDerWaalsContact CB-CD1 3.47Å; V194-I199 HydrophobicContact CG2-CD1 3.83Å; N195-I199 VanDerWaalsContact O-CD1 3.32Å; N195-I199 WeakPolarHBondContact O-CD1 3.31Å; P196-I199 PolarHBondContact O-N 2.66Å; I199-E201 PolarHBondContact O-N 2.7Å; I199-E201 VanDerWaalsContact O-N 3.11Å; I199-R202 PolarHBondContact O-N 2.62Å; I199-G203 PolarHBondContact O-N 3.38Å; I199-Y215 HydrophobicContact CG2-CD1 4.49Å; I199-Y215 HydrophobicContact CG2-CD2 4.31Å; I199-Y215 HydrophobicContact CG2-CG 4.03Å; I199-I429 HydrophobicContact CD1-CG2 3.65Å; I199-I429 HydrophobicContact CG1-CD1 4.06Å; I199-I429 HydrophobicContact CG1-CG2 4.02Å; I199-I429 HydrophobicContact CG2-CB 4.14Å; I199-I429 HydrophobicContact CG2-CD1 4.06Å; I199-I429 HydrophobicContact CG2-CG2 4.02Å; I199-I431 HydrophobicContact CB-CD1 3.98Å; I199-I431 HydrophobicContact CD1-CD1 3.89Å; I199-I431 HydrophobicContact CD1-CG1 4.25Å; I199-I431 HydrophobicContact CG2-CD1 3.91Å
200H65.8Low80.3Confident90 Ų9081.5 Ų81.542%0.41744%0.438SS..THydrogen-bonded Turntrans-62-21.2-175.2-60.8-37.7000114.3Y215 Y433H200-Y215 AromaticContact CE1-CZ 3.87Å; H200-Y215 PolarHBondContact CE1-OH 2.74Å; H200-Y215 AromaticContact ND1-CE1 3.89Å; H200-Y215 AromaticContact ND1-CE2 3.94Å; H200-Y215 AromaticContact ND1-CZ 3.39Å; H200-Y215 PolarHBondContact ND1-OH 2.79Å; H200-Y215 VanDerWaalsContact ND1-OH 3.1Å; H200-Y433 PolarHBondContact CE1-OH 3.36Å
201E63.8Low79.9Confident196 Ų19684.6 Ų84.692%0.91644%0.442SS*.THydrogen-bonded Turntrans-91.9-8.7175.7-59-170.6153.800113.9I199I199-E201 PolarHBondContact O-N 2.7Å; I199-E201 VanDerWaalsContact O-N 3.11Å
202R68.8Low79.7Confident190 Ų19083.4 Ų83.472%0.71743%0.432SS*.THydrogen-bonded Turntrans-121.5-28.8-169.2175.9175-100-146.9-7.2114.5I199 V217I199-R202 PolarHBondContact O-N 2.62Å; R202-V217 HydrophobicContact CG-CG1 4.12Å; R202-V217 HydrophobicContact CG-CG2 4.46Å
203G73.4Confident79.8Confident15 Ų1581.1 Ų81.116%0.15541%0.413CS..SBendtrans-103.2145.7-178.500000113.7I199 V216I199-G203 PolarHBondContact O-N 3.38Å; G203-V216 CarbonylContact C-O 3.54Å; G203-V216 WeakPolarHBondContact CA-O 3.36Å
204L82.1Confident79.8Confident111 Ų11175.9 Ų75.958%0.58138%0.381SS*.EExtended strand (participates in β ladder)trans-78.2119.4164.9-179.468.7000109V206 Y215 V216L204-V206 PolarHBondContact O-N 3.3Å; L204-Y215 CarbonylContact O-C 3.53Å; L204-Y215 VanDerWaalsContact O-CA 3.27Å; L204-Y215 WeakPolarHBondContact O-CA 3.42Å; L204-V216 PolarHBondContact N-O 2.68Å; L204-V216 PolarHBondContact O-N 2.94Å
205K89.4Confident80Confident80 Ų8075.1 Ų75.135%0.34837%0.374SS..EExtended strand (participates in β ladder)trans-68.5118.9175.4-159.3175.4-158.4178.40109.9Y207 D208 S213 Y215K205-Y207 WeakPolarHBondContact CE-O 3.31Å; K205-D208 HydrophobicContact CD-CB 4.35Å; K205-D208 IonicContact NZ-OD1 3.45Å; K205-D208 PolarHBondContact NZ-OD1 2.66Å; K205-D208 IonicContact NZ-OD2 2.66Å; K205-D208 PolarHBondContact NZ-OD2 2.95Å; K205-S213 WeakPolarHBondContact CE-OG 3.46Å; K205-S213 PolarHBondContact NZ-OG 2.96Å; K205-Y215 HydrophobicContact CB-CD1 3.91Å; K205-Y215 HydrophobicContact CB-CE1 3.61Å; K205-Y215 HydrophobicContact CD-CE1 4.15Å; K205-Y215 HydrophobicContact CD-CE2 4.41Å; K205-Y215 WeakPolarHBondContact CD-OH 3.47Å; K205-Y215 WeakPolarHBondContact CE-OH 3.29Å; K205-Y215 HydrophobicContact CG-CD1 4.25Å; K205-Y215 HydrophobicContact CG-CE1 3.8Å; K205-Y215 HydrophobicContact CG-CE2 4.19Å
206V87.1Confident80.2Confident80 Ų8072.8 Ų72.849%0.48536%0.363SS..EExtended strand (participates in β ladder)trans-110.3-17.5178-61.40000113.2L204 V214 V216L204-V206 PolarHBondContact O-N 3.3Å; V206-V214 HydrophobicContact CG2-CB 4.08Å; V206-V214 HydrophobicContact CG2-CG1 4.08Å; V206-V214 WeakPolarHBondContact CG2-O 3.44Å; V206-V214 PolarHBondContact N-O 2.94Å; V206-V216 HydrophobicContact CB-CG2 4.4Å; V206-V216 HydrophobicContact CG1-CB 4.06Å; V206-V216 HydrophobicContact CG1-CG2 3.67Å; V206-V216 HydrophobicContact CG2-CG2 3.85Å
207Y87.1Confident80.3Confident123 Ų12373 Ų7348%0.48236%0.364SS..EExtended strand (participates in β ladder)trans-145.4144.7178.2-172.8-105000111.5K205 D209 S213 V214K205-Y207 WeakPolarHBondContact CE-O 3.31Å; Y207-D209 HydrophobicContact CE1-CB 3.85Å; Y207-D209 WeakPolarHBondContact CE1-OD2 3.45Å; Y207-S213 VanDerWaalsContact O-CA 3.28Å; Y207-S213 WeakPolarHBondContact O-CA 3.19Å; Y207-S213 WeakPolarHBondContact O-CB 3.43Å; Y207-V214 HydrophobicContact CD1-CG2 4.1Å; Y207-V214 HydrophobicContact CG-CG2 4.4Å; Y207-V214 PolarHBondContact N-O 3.35Å; Y207-V214 PolarHBondContact O-N 3.15Å
208D89.1Confident79.8Confident86 Ų8670.6 Ų70.646%0.4636%0.355SS..EExtended strand (participates in β ladder)trans-153.2114.6172-1642.2000108.4K205 G210 S213K205-D208 HydrophobicContact CD-CB 4.35Å; K205-D208 IonicContact NZ-OD1 3.45Å; K205-D208 PolarHBondContact NZ-OD1 2.66Å; K205-D208 IonicContact NZ-OD2 2.66Å; K205-D208 PolarHBondContact NZ-OD2 2.95Å; D208-G210 WeakPolarHBondContact OD1-CA 3.47Å; D208-G210 PolarHBondContact OD1-N 3.06Å; D208-S213 PolarHBondContact OD1-OG 3.46Å
209D82.7Confident79.5Confident76 Ų7672.3 Ų72.341%0.40636%0.358SS..  trans-100.32166.965.434.2000111.4Y207 R211 T212Y207-D209 HydrophobicContact CE1-CB 3.85Å; Y207-D209 WeakPolarHBondContact CE1-OD2 3.45Å; D209-R211 VanDerWaalsContact C-N 3.28Å; D209-R211 PolarHBondContact O-N 3.22Å; D209-R211 VanDerWaalsContact OD1-CA 3.3Å; D209-R211 WeakPolarHBondContact OD1-CA 3.35Å; D209-R211 WeakPolarHBondContact OD1-CB 3.43Å; D209-R211 PolarHBondContact OD1-N 3.12Å; D209-T212 PolarHBondContact N-O 3.36Å; D209-T212 PolarHBondContact OD1-N 3.42Å; D209-T212 PolarHBondContact OD2-OG1 3.45Å
210G77.5Confident78.3Confident13 Ų1381.3 Ų81.313%0.13440%0.402CS..SBendtrans83-16.2-17700000115.8K167 D208K167-G210 VanDerWaalsContact NZ-CA 3.26Å; K167-G210 PolarHBondContact NZ-O 3.36Å; D208-G210 WeakPolarHBondContact OD1-CA 3.47Å; D208-G210 PolarHBondContact OD1-N 3.06Å
211R79.2Confident77.2Confident116 Ų11685 Ų8544%0.43842%0.42SS..SBendtrans-106.4-27.9171.7-64.1175.2169.9-90.38.4111.9D209 Y433 D438D209-R211 VanDerWaalsContact C-N 3.28Å; D209-R211 PolarHBondContact O-N 3.22Å; D209-R211 VanDerWaalsContact OD1-CA 3.3Å; D209-R211 WeakPolarHBondContact OD1-CA 3.35Å; D209-R211 WeakPolarHBondContact OD1-CB 3.43Å; D209-R211 PolarHBondContact OD1-N 3.12Å; R211-Y433 PolarHBondContact O-N 3.08Å; R211-D438 IonicContact CZ-OD1 3.7Å; R211-D438 IonicContact CZ-OD2 2.67Å; R211-D438 IonicContact NH2-OD1 3.67Å; R211-D438 PolarHBondContact NH2-OD1 3.19Å; R211-D438 IonicContact NH2-OD2 2.8Å; R211-D438 PolarHBondContact NH2-OD2 3Å
212T85.1Confident76.2Confident56 Ų5683.1 Ų83.134%0.34442%0.416SS..EExtended strand (participates in β ladder)trans-134162.517583.50000110.4D209 I431D209-T212 PolarHBondContact N-O 3.36Å; D209-T212 PolarHBondContact OD1-N 3.42Å; D209-T212 PolarHBondContact OD2-OG1 3.45Å; T212-I431 CarbonylContact C-O 3.56Å; T212-I431 VanDerWaalsContact CA-O 3.24Å; T212-I431 WeakPolarHBondContact CA-O 3.5Å
213S88.4Confident74.8Confident1 Ų180.2 Ų80.21%0.00742%0.419CS..EExtended strand (participates in β ladder)trans-150.1146.4171.9-71.50000111.2K205 Y207 D208 I431 Y433K205-S213 WeakPolarHBondContact CE-OG 3.46Å; K205-S213 PolarHBondContact NZ-OG 2.96Å; Y207-S213 VanDerWaalsContact O-CA 3.28Å; Y207-S213 WeakPolarHBondContact O-CA 3.19Å; Y207-S213 WeakPolarHBondContact O-CB 3.43Å; D208-S213 PolarHBondContact OD1-OG 3.46Å; S213-I431 PolarHBondContact N-O 3.23Å; S213-I431 PolarHBondContact O-N 3.35Å; S213-Y433 WeakPolarHBondContact OG-CE2 3.14Å
214V89.5Confident73.4Confident13 Ų1385.7 Ų85.78%0.07945%0.449CS..EExtended strand (participates in β ladder)trans-117.8129.7176.8-169.20000109.7V206 Y207 M428 I429 F430V206-V214 HydrophobicContact CG2-CB 4.08Å; V206-V214 HydrophobicContact CG2-CG1 4.08Å; V206-V214 WeakPolarHBondContact CG2-O 3.44Å; V206-V214 PolarHBondContact N-O 2.94Å; Y207-V214 HydrophobicContact CD1-CG2 4.1Å; Y207-V214 HydrophobicContact CG-CG2 4.4Å; Y207-V214 PolarHBondContact N-O 3.35Å; Y207-V214 PolarHBondContact O-N 3.15Å; V214-M428 HydrophobicContact CG1-CB 4.47Å; V214-M428 HydrophobicContact CG1-CE 3.66Å; V214-I429 WeakPolarHBondContact CA-O 3.36Å; V214-F430 HydrophobicContact CB-CD1 4.48Å; V214-F430 HydrophobicContact CG1-CD1 4.21Å; V214-F430 HydrophobicContact CG1-CE1 4Å; V214-F430 HydrophobicContact CG1-CE2 4.49Å; V214-F430 HydrophobicContact CG1-CZ 4.14Å; V214-F430 HydrophobicContact CG2-CD1 3.53Å; V214-F430 HydrophobicContact CG2-CE1 3.64Å; V214-F430 HydrophobicContact CG2-CG 4.38Å
215Y88.2Confident71.6Confident20 Ų2086.4 Ų86.48%0.07846%0.461CS..EExtended strand (participates in β ladder)trans-116.6113.1178.6-69.9-98.4000108.7I199 H200 L204 K205 V217 M428 I429 I431I199-Y215 HydrophobicContact CG2-CD1 4.49Å; I199-Y215 HydrophobicContact CG2-CD2 4.31Å; I199-Y215 HydrophobicContact CG2-CG 4.03Å; H200-Y215 AromaticContact CE1-CZ 3.87Å; H200-Y215 PolarHBondContact CE1-OH 2.74Å; H200-Y215 AromaticContact ND1-CE1 3.89Å; H200-Y215 AromaticContact ND1-CE2 3.94Å; H200-Y215 AromaticContact ND1-CZ 3.39Å; H200-Y215 PolarHBondContact ND1-OH 2.79Å; H200-Y215 VanDerWaalsContact ND1-OH 3.1Å; L204-Y215 CarbonylContact O-C 3.53Å; L204-Y215 VanDerWaalsContact O-CA 3.27Å; L204-Y215 WeakPolarHBondContact O-CA 3.42Å; K205-Y215 HydrophobicContact CB-CD1 3.91Å; K205-Y215 HydrophobicContact CB-CE1 3.61Å; K205-Y215 HydrophobicContact CD-CE1 4.15Å; K205-Y215 HydrophobicContact CD-CE2 4.41Å; K205-Y215 WeakPolarHBondContact CD-OH 3.47Å; K205-Y215 WeakPolarHBondContact CE-OH 3.29Å; K205-Y215 HydrophobicContact CG-CD1 4.25Å; K205-Y215 HydrophobicContact CG-CE1 3.8Å; K205-Y215 HydrophobicContact CG-CE2 4.19Å; Y215-V217 PolarHBondContact O-N 3.27Å; Y215-M428 CarbonylContact O-C 3.48Å; Y215-I429 PolarHBondContact N-O 3.19Å; Y215-I429 PolarHBondContact O-N 3.42Å; Y215-I431 HydrophobicContact CD2-CD1 3.71Å; Y215-I431 HydrophobicContact CD2-CG1 4.09Å; Y215-I431 HydrophobicContact CE2-CD1 3.63Å; Y215-I431 HydrophobicContact CE2-CG1 4.27Å
216V87.6Confident69.4Low39 Ų3990.6 Ų90.624%0.23649%0.487CS..EExtended strand (participates in β ladder)trans-71.7127.8164.7171.90000106.6G203 L204 V206 P218 M428G203-V216 CarbonylContact C-O 3.54Å; G203-V216 WeakPolarHBondContact CA-O 3.36Å; L204-V216 PolarHBondContact N-O 2.68Å; L204-V216 PolarHBondContact O-N 2.94Å; V206-V216 HydrophobicContact CB-CG2 4.4Å; V206-V216 HydrophobicContact CG1-CB 4.06Å; V206-V216 HydrophobicContact CG1-CG2 3.67Å; V206-V216 HydrophobicContact CG2-CG2 3.85Å; V216-P218 WeakPolarHBondContact O-CD 3.48Å; V216-M428 HydrophobicContact CG2-CG 4.24Å
217V82.8Confident67Low25 Ų2589.9 Ų89.915%0.15250%0.496CS..EExtended strand (participates in β ladder)trans-91.1109.3166176.40000106R202 Y215 L219 T427 I429R202-V217 HydrophobicContact CG-CG1 4.12Å; R202-V217 HydrophobicContact CG-CG2 4.46Å; Y215-V217 PolarHBondContact O-N 3.27Å; V217-L219 PolarHBondContact O-N 2.88Å; V217-T427 HydrophobicContact CB-CG2 4.34Å; V217-T427 PolarHBondContact N-O 2.9Å; V217-I429 HydrophobicContact CG2-CD1 3.55Å; V217-I429 HydrophobicContact CG2-CG1 3.91Å
218P67.1Low65Low76 Ų7689 Ų8949%0.49451%0.514SS..  trans-59.5134170.6-15.930.6000107.8V216 M220V216-P218 WeakPolarHBondContact O-CD 3.48Å; P218-M220 PolarHBondContact O-N 3.34Å
219L61.4Low62.9Low108 Ų10893.4 Ų93.457%0.56554%0.537SS*.  trans-63.1132.4165.5-17065.5000107.4V217 E221 E424V217-L219 PolarHBondContact O-N 2.88Å; L219-E221 VanDerWaalsContact C-N 3.29Å; L219-E221 PolarHBondContact O-N 3.27Å; L219-E424 HydrophobicContact CD2-CB 4.04Å; L219-E424 HydrophobicContact CD2-CG 4.32Å; L219-E424 WeakPolarHBondContact CD2-OE1 3.44Å; L219-E424 WeakPolarHBondContact CD2-OE2 3.41Å
220M48.7Very low61.3Low194 Ų19493.1 Ų93.196%0.95655%0.552SS**SBendtrans-84.971.1-168.3-168-179.9179.300111.5P218P218-M220 PolarHBondContact O-N 3.34Å
221E43.1Very low60.3Low168 Ų168102.1 Ų102.179%0.78559%0.59SS**  trans-120.9144.2158.8-170.7137.8-138.700110.4L219 T223L219-E221 VanDerWaalsContact C-N 3.29Å; L219-E221 PolarHBondContact O-N 3.27Å; E221-T223 PolarHBondContact O-N 2.99Å
222D42.8Very low59.3Low155 Ų155103 Ų10383%0.82960%0.601SS**  trans-94.180.5-161.9-178.323.3000111.6
223T38.8Very low58.5Low129 Ų129103.6 Ų103.679%0.79161%0.607SS**  trans-162.2161.5160.2-1.40000113.8E221E221-T223 PolarHBondContact O-N 2.99Å
224V43.2Very low56.8Low130 Ų130108.4 Ų108.479%0.78864%0.641SS**  trans-124.6139.1-176.2-164.30000109.7
225P45.3Very low55.5Low127 Ų127112.2 Ų112.283%0.82566%0.664SS**  -142.4159.9124.634.8-19.2000116.2
226D42.1Very low54.9Low168 Ų168115.2 Ų115.290%0.89868%0.679SS**  trans-67.5150179175.933000114.8
227G37.3Very low54.3Low65 Ų65117.1 Ų117.167%0.6769%0.691SS**  trans165.7111.6175.200000115.1
228A44.6Very low53.9Low105 Ų105122.3 Ų122.387%0.86871%0.713SS**  trans-78.7143.2-175.700000114.7
229L45.8Very low54.4Low177 Ų177125.9 Ų125.993%0.92772%0.724SS**  trans-108.2151.5173.7-69.7172.8000111.6
230G48.9Very low55Low70 Ų70125.8 Ų125.872%0.72272%0.723SS**PPolyproline II helixtrans-101.5163.4-176.200000114.3
231E57.6Low56Low202 Ų202122.1 Ų122.194%0.94471%0.707SS**PPolyproline II helixtrans-81.3144.9-173.5-61.4169.3147.600113.3
232M57.9Low57.2Low134 Ų134120.6 Ų120.666%0.6670%0.699SS**PPolyproline II helixtrans-85147.7176.3-49.4-74.5-81.800110.1E236M232-E236 VanDerWaalsContact CE-CD 3.46Å; M232-E236 HydrophobicContact CE-CG 4.49Å; M232-E236 WeakPolarHBondContact CE-OE1 3.34Å
233S67.8Low58.1Low69 Ų69119.2 Ų119.248%0.48369%0.688SS.*PPolyproline II helixtrans-95.6149.5-174.273.70000113.9T235 E236 V237S233-T235 PolarHBondContact O-N 3.46Å; S233-E236 VanDerWaalsContact O-CB 3.29Å; S233-E236 WeakPolarHBondContact O-CB 3.48Å; S233-E236 PolarHBondContact O-N 2.75Å; S233-V237 PolarHBondContact O-N 3.05Å
234S51.8Low59Low102 Ų102117.6 Ų117.671%0.71368%0.677SS**Hα-helixtrans-55.9-30.7-171.6-47.10000115.4E236 V237 E238S234-E236 VanDerWaalsContact C-N 3.29Å; S234-E236 PolarHBondContact O-N 3.36Å; S234-V237 WeakPolarHBondContact O-CB 3.46Å; S234-V237 PolarHBondContact O-N 2.96Å; S234-E238 PolarHBondContact O-N 3.15Å
235T61.8Low59.3Low93 Ų93115.3 Ų115.357%0.57166%0.664SS**Hα-helixtrans-67.7-28.7176.844.80000113S233 E238 E239S233-T235 PolarHBondContact O-N 3.46Å; T235-E238 PolarHBondContact O-N 3.32Å; T235-E239 PolarHBondContact O-N 3.46Å
236E76.6Confident59.6Low84 Ų84115.9 Ų115.939%0.39366%0.66SS.*Hα-helixtrans-72.3-35.9174.4-170.2171.4-168.200110.9M232 S233 S234 L240M232-E236 VanDerWaalsContact CE-CD 3.46Å; M232-E236 HydrophobicContact CE-CG 4.49Å; M232-E236 WeakPolarHBondContact CE-OE1 3.34Å; S233-E236 VanDerWaalsContact O-CB 3.29Å; S233-E236 WeakPolarHBondContact O-CB 3.48Å; S233-E236 PolarHBondContact O-N 2.75Å; S234-E236 VanDerWaalsContact C-N 3.29Å; S234-E236 PolarHBondContact O-N 3.36Å; E236-L240 WeakPolarHBondContact O-CB 3.33Å; E236-L240 WeakPolarHBondContact O-CD1 3.46Å; E236-L240 VanDerWaalsContact O-CG 3.24Å; E236-L240 WeakPolarHBondContact O-CG 3Å; E236-L240 PolarHBondContact O-N 2.83Å; E236-L240 VanDerWaalsContact O-N 3.14Å
237V74.8Confident60.2Low79 Ų79115.1 Ų115.148%0.47965%0.651SS.*Hα-helixtrans-64.6-40.2172.3-175.10000111S233 S234 L240 L241S233-V237 PolarHBondContact O-N 3.05Å; S234-V237 WeakPolarHBondContact O-CB 3.46Å; S234-V237 PolarHBondContact O-N 2.96Å; V237-L240 PolarHBondContact O-N 2.77Å; V237-L241 HydrophobicContact CG1-CD1 4.33Å; V237-L241 PolarHBondContact O-N 2.9Å
238E75Confident60.9Low133 Ų133117 Ų11762%0.62165%0.65SS**Hα-helixtrans-70.3-41.2-179.9-165.6168-145.500112.7S234 T235 L240 L241 H242S234-E238 PolarHBondContact O-N 3.15Å; T235-E238 PolarHBondContact O-N 3.32Å; E238-L240 VanDerWaalsContact C-N 3.34Å; E238-L240 PolarHBondContact O-N 3.03Å; E238-L241 WeakPolarHBondContact O-CB 3.41Å; E238-L241 PolarHBondContact O-N 2.83Å; E238-H242 PolarHBondContact O-N 2.93Å; E238-H242 VanDerWaalsContact O-N 3.13Å
239E77.5Confident60.6Low152 Ų152117.8 Ų117.871%0.7164%0.644SS**Hα-helixtrans-63.5-37.7172.5-74.8-167.2161.400112.4T235 H242 Q243T235-E239 PolarHBondContact O-N 3.46Å; E239-H242 PolarHBondContact O-N 3.12Å; E239-Q243 PolarHBondContact O-N 3.37Å
240L73.2Confident60.6Low105 Ų105115.2 Ų115.255%0.5564%0.638SS.*Hα-helixtrans-65.3-43175.3-74.1168.7000112.1E236 V237 E238 H242 Q243 V244E236-L240 WeakPolarHBondContact O-CB 3.33Å; E236-L240 WeakPolarHBondContact O-CD1 3.46Å; E236-L240 VanDerWaalsContact O-CG 3.24Å; E236-L240 WeakPolarHBondContact O-CG 3Å; E236-L240 PolarHBondContact O-N 2.83Å; E236-L240 VanDerWaalsContact O-N 3.14Å; V237-L240 PolarHBondContact O-N 2.77Å; E238-L240 VanDerWaalsContact C-N 3.34Å; E238-L240 PolarHBondContact O-N 3.03Å; L240-H242 VanDerWaalsContact C-N 3.3Å; L240-H242 PolarHBondContact O-N 3.19Å; L240-Q243 PolarHBondContact O-N 2.86Å; L240-Q243 VanDerWaalsContact O-N 3.1Å; L240-V244 WeakPolarHBondContact O-CG2 3.42Å; L240-V244 PolarHBondContact O-N 3.26Å
241L70Confident60.3Low117 Ų117117.1 Ų117.161%0.61364%0.64SS**Hα-helixtrans-55.7-45.2173.7-106.1141.3000111.7V237 E238 Q243 V244V237-L241 HydrophobicContact CG1-CD1 4.33Å; V237-L241 PolarHBondContact O-N 2.9Å; E238-L241 WeakPolarHBondContact O-CB 3.41Å; E238-L241 PolarHBondContact O-N 2.83Å; L241-Q243 VanDerWaalsContact C-N 3.26Å; L241-Q243 PolarHBondContact O-N 2.97Å; L241-V244 PolarHBondContact O-N 3.14Å
242H67.8Low60Low137 Ų137116.7 Ų116.763%0.63464%0.638SS**Hα-helixtrans-65.9-25.6178.1-124.2-61.6000113.6E238 E239 L240 T245E238-H242 PolarHBondContact O-N 2.93Å; E238-H242 VanDerWaalsContact O-N 3.13Å; E239-H242 PolarHBondContact O-N 3.12Å; L240-H242 VanDerWaalsContact C-N 3.3Å; L240-H242 PolarHBondContact O-N 3.19Å; H242-T245 PolarHBondContact O-OG1 3.36Å
243Q62.7Low59.2Low125 Ų125115.5 Ų115.558%0.58464%0.638SS**Hα-helixtrans-87.4-15.6-180-165157.1110.900113.7E239 L240 L241 Q247E239-Q243 PolarHBondContact O-N 3.37Å; L240-Q243 PolarHBondContact O-N 2.86Å; L240-Q243 VanDerWaalsContact O-N 3.1Å; L241-Q243 VanDerWaalsContact C-N 3.26Å; L241-Q243 PolarHBondContact O-N 2.97Å; Q243-Q247 PolarHBondContact O-NE2 3.36Å; Q243-Q247 VanDerWaalsContact O-NE2 3.13Å
244V56.5Low58.2Low95 Ų95120.4 Ų120.458%0.57665%0.653SS**Hα-helixtrans-77.6-38.6172.31710000111.4L240 L241 D246 Q247L240-V244 WeakPolarHBondContact O-CG2 3.42Å; L240-V244 PolarHBondContact O-N 3.26Å; L241-V244 PolarHBondContact O-N 3.14Å; V244-D246 VanDerWaalsContact C-N 3.33Å; V244-D246 PolarHBondContact O-N 2.86Å; V244-Q247 PolarHBondContact O-N 2.89Å
245T49.9Very low57.8Low83 Ų83120.4 Ų120.451%0.50965%0.653SS.*Hα-helixtrans-63.7-35.6-176.647.90000113.4H242 Q247 T248H242-T245 PolarHBondContact O-OG1 3.36Å; T245-Q247 VanDerWaalsContact C-N 3.29Å; T245-Q247 PolarHBondContact O-N 3.33Å; T245-T248 PolarHBondContact O-OG1 3.17Å
246D51.3Low57.2Low138 Ų138123.8 Ų123.874%0.73866%0.662SS**THydrogen-bonded Turntrans-75.9-12-175.3-75.85.4000114.2V244V244-D246 VanDerWaalsContact C-N 3.33Å; V244-D246 PolarHBondContact O-N 2.86Å
247Q56.1Low55.8Low153 Ų153127.8 Ų127.872%0.71568%0.68SS**THydrogen-bonded Turntrans-102.9-5.4-176-75.1179.888.900114.8Q243 V244 T245 V249Q243-Q247 PolarHBondContact O-NE2 3.36Å; Q243-Q247 VanDerWaalsContact O-NE2 3.13Å; V244-Q247 PolarHBondContact O-N 2.89Å; T245-Q247 VanDerWaalsContact C-N 3.29Å; T245-Q247 PolarHBondContact O-N 3.33Å; Q247-V249 VanDerWaalsContact C-N 3.31Å; Q247-V249 PolarHBondContact O-N 3.31Å
248T50.8Low55Low104 Ų104129.3 Ų129.364%0.63869%0.692SS**  trans-90.132.8-170.2510000115.2T245T245-T248 PolarHBondContact O-OG1 3.17Å
249V39.6Very low53.9Low122 Ų122129.5 Ų129.574%0.73970%0.702SS**  trans-108.8110171.4-175.40000110.4Q247 S251Q247-V249 VanDerWaalsContact C-N 3.31Å; Q247-V249 PolarHBondContact O-N 3.31Å; V249-S251 PolarHBondContact O-N 2.87Å
250P45.7Very low52.8Low123 Ų123131.4 Ų131.480%0.79971%0.708SS**  trans-72.599.2-177.628.4-34000111.6E252P250-E252 VanDerWaalsContact C-N 3.3Å; P250-E252 PolarHBondContact O-N 3.37Å
251S41.9Very low52.1Low110 Ų110131.7 Ų131.777%0.76972%0.719SS**  trans-82.965.4-178.7-163.30000112.6V249 V253V249-S251 PolarHBondContact O-N 2.87Å; S251-V253 PolarHBondContact O-N 2.93Å
252E51Low51.4Low192 Ų192132.2 Ų132.290%0.89773%0.727SS**  trans-79.565.9174-161.6-178.7174.800111.7P250P250-E252 VanDerWaalsContact C-N 3.3Å; P250-E252 PolarHBondContact O-N 3.37Å
253V41.4Very low50.5Low110 Ų110131.1 Ų131.167%0.66773%0.731SS**  trans-132.197.3167.2-176.10000109.4S251 S255S251-V253 PolarHBondContact O-N 2.93Å; V253-S255 PolarHBondContact O-N 2.84Å; V253-S255 PolarHBondContact O-OG 3.37Å
254Q46.6Very low49.5Very low172 Ų172133.8 Ų133.880%0.80474%0.738SS**  trans-64.999.2-179.9-170.2169.158.800110.7H256Q254-H256 PolarHBondContact O-N 3.18Å
255S43.5Very low49.2Very low101 Ų101135.7 Ų135.771%0.70675%0.749SS**  trans-78.294.2-172-67.50000111.6V253V253-S255 PolarHBondContact O-N 2.84Å; V253-S255 PolarHBondContact O-OG 3.37Å
256H49.7Very low49.1Very low165 Ų165133.9 Ų133.976%0.76475%0.747SS**  trans-57140.5171.1-68.1-68.9000111.5Q254Q254-H256 PolarHBondContact O-N 3.18Å
257H47.5Very low49.1Very low168 Ų168134.8 Ų134.878%0.77875%0.752SS**  trans-62.6145.7176.4-58.9-20.3000111.4V259H257-V259 PolarHBondContact O-N 3.4Å
258P58.1Low48.5Very low110 Ų110132.3 Ų132.371%0.71475%0.752SS**  trans-59.9106.9-179.5-25.335.1000112.7F260P258-F260 PolarHBondContact O-N 3.24Å; P258-F260 VanDerWaalsContact O-N 3.07Å
259V50.9Low48.4Very low137 Ų137138.4 Ų138.483%0.8376%0.763SS**  trans-74.797.7170.4-1790000107.9H257 S261H257-V259 PolarHBondContact O-N 3.4Å; V259-S261 PolarHBondContact O-N 3.05Å; V259-S261 VanDerWaalsContact O-N 3.11Å
260F54.4Low48.4Very low192 Ų192138.1 Ų138.184%0.84276%0.764SS**  trans-58.1115171.5-73.2-87.4000109.7P258 V262P258-F260 PolarHBondContact O-N 3.24Å; P258-F260 VanDerWaalsContact O-N 3.07Å; F260-V262 PolarHBondContact O-N 3.09Å
261S57.8Low48Very low111 Ų111136.9 Ų136.978%0.77676%0.764SS**PPolyproline II helixtrans-66.5123.1176.439.70000110.3V259V259-S261 PolarHBondContact O-N 3.05Å; V259-S261 VanDerWaalsContact O-N 3.11Å
262V56.9Low48Very low129 Ų129137.6 Ų137.678%0.78276%0.764SS**PPolyproline II helixtrans-56.5134173.9-1800000108.7F260 Y264F260-V262 PolarHBondContact O-N 3.09Å; V262-Y264 PolarHBondContact O-N 2.9Å; V262-Y264 VanDerWaalsContact O-N 3.14Å
263P47.2Very low47.2Very low113 Ų113134.7 Ų134.773%0.73476%0.762SS**PPolyproline II helixtrans-57.9121.4-178.121.9-33.7000111T265P263-T265 PolarHBondContact O-N 3.02Å
264Y41.8Very low47Very low182 Ų182140.9 Ų140.971%0.71477%0.773SS**  trans-66.3101-176.2176.1-106.2000111.1V262 G266 S268V262-Y264 PolarHBondContact O-N 2.9Å; V262-Y264 VanDerWaalsContact O-N 3.14Å; Y264-G266 VanDerWaalsContact CE1-CA 3.46Å; Y264-G266 PolarHBondContact O-N 2.82Å; Y264-S268 PolarHBondContact OH-O 3.1Å
265T50.4Low46.5Very low134 Ų134137 Ų13782%0.82277%0.771SS**  trans-70.694.6166.641.70000108.8P263 N267P263-T265 PolarHBondContact O-N 3.02Å; T265-N267 PolarHBondContact O-N 3.06Å
266G48.9Very low46.2Very low45 Ų45138.3 Ų138.346%0.46478%0.777SS.*  trans-63.9105-172.800000113.4Y264Y264-G266 VanDerWaalsContact CE1-CA 3.46Å; Y264-G266 PolarHBondContact O-N 2.82Å
267N50Low45.4Very low157 Ų157136.3 Ų136.384%0.8478%0.781SS**  trans-168.764.2154.8-101.4-16.9000113.3T265T265-N267 PolarHBondContact O-N 3.06Å
268S44Very low44.8Very low101 Ų101136.8 Ų136.871%0.70678%0.784SS**  trans-164119.6151.9-86.90000111.4Y264Y264-S268 PolarHBondContact OH-O 3.1Å
269R49.3Very low43.4Very low232 Ų232138.5 Ų138.588%0.87578%0.784SS**  trans-104.8117.3179.1-175.7-172.8-174.6-165.74.9110.1
270P40.1Very low42.5Very low117 Ų117140.3 Ų140.376%0.7678%0.783SS**PPolyproline II helixtrans-61.9134.8167.3-20.633.1000110.6
271A36Very low41.4Very low97 Ų97139.5 Ų139.580%0.80278%0.779SS**PPolyproline II helixtrans-80.3138.9177.100000111.1
272T41.8Very low40Very low125 Ų125142.5 Ų142.577%0.76778%0.781SS**PPolyproline II helixtrans-75.5137.9175.737.60000111.7
273P36Very low38.8Very low131 Ų131146 Ų14685%0.85179%0.786SS**PPolyproline II helixtrans-71132.5174.529.3-33.4000110.5
274R35.7Very low38Very low239 Ų239146.6 Ų146.690%0.90279%0.792SS**PPolyproline II helixtrans-95.8131.1-180-171178.7-171.6165.43.3110.1
275A36.6Very low37.6Very low92 Ų92142.4 Ų142.476%0.7680%0.796SS**PPolyproline II helixtrans-64.3134.8175.800000111.6
276P38.1Very low36.5Very low128 Ų128145 Ų14583%0.83180%0.796SS**PPolyproline II helixtrans-85.5140.3177.133.1-33.5000112.5
277S32.2Very low35.7Very low123 Ų123148.3 Ų148.386%0.8680%0.802SS**  trans-90.1176.3169.447.50000112.1
278Q34.7Very low35.1Very low177 Ų177150.1 Ų150.183%0.82781%0.805SS**  trans-79.6160.4-161-58.9178.1-19.500116.5
279M28.5Very low34.4Very low147 Ų147151.6 Ų151.672%0.72481%0.805SS**  trans71.5139.8163.8-47-154.275.400115.2
280H32.3Very low33.7Very low175 Ų175147.1 Ų147.181%0.8180%0.798SS**  cis-142.216341.4-91-104.2000116.3
281K31Very low33.2Very low175 Ų175148.2 Ų148.276%0.76179%0.793SS**  trans-57.9134.6174.6-177.2-160.6-168.2-176.10114.7
282E28.9Very low33Very low174 Ų174151.2 Ų151.281%0.81379%0.79SS**  -172.6-175.2117.1-102.7-175.1-175.800114.9
283K32.5Very low32.5Very low203 Ų203151.6 Ų151.688%0.88378%0.783SS**  trans-104.5145.9-156.3-56.7170.8179.5174.20114.7
284S29.5Very low32.7Very low124 Ų124153.4 Ų153.487%0.86779%0.785SS**  trans-150.4163.4133.468.10000109.6
285A32.7Very low32.9Very low95 Ų95146.9 Ų146.979%0.78577%0.773SS**  trans-145141.3179.700000110.4
286F27.2Very low33.6Very low187 Ų187147.7 Ų147.782%0.8277%0.771SS**  trans-160.6118.2147.6-149.5-110.7000113.8
287I32.5Very low33.9Very low115 Ų115147.5 Ų147.559%0.5977%0.77SS**  trans24.8124.4145.9-53.8-173.8000120
288Q37.2Very low34.2Very low196 Ų196150.9 Ų150.992%0.91677%0.769SS**  -144.9114.2124.8-115.6174.68.100111
289D30.2Very low34.7Very low132 Ų132148.6 Ų148.671%0.70677%0.769SS**  trans-68.2162.6152.1-73.7-60.9000108.4
290L33.7Very low34.8Very low138 Ų138150 Ų15072%0.72377%0.774SS**  cis-156.8138.938.6-167.762.3000110.4
291Q31.1Very low34.8Very low139 Ų139149.5 Ų149.565%0.6577%0.772SS**  trans28143.1130.5-113.1173.1-53.700119.2Q293Q291-Q293 HydrophobicContact CG-CG 4.24Å
292E30.7Very low34.7Very low160 Ų160147.8 Ų147.875%0.74877%0.766SS**  cis-154.3174.440-68.5-161.997.600111.1
293Q31Very low34.6Very low133 Ų133148.5 Ų148.562%0.62177%0.767SS**  cis-173.9137.4-30.3-93.2-160.266.300105.6Q291Q291-Q293 HydrophobicContact CG-CG 4.24Å
294L40Very low34.4Very low169 Ų169144.6 Ų144.689%0.88576%0.76SS**  trans-152.1129154.8-161.9107.8000105.5
295P40.9Very low34.5Very low102 Ų102144.4 Ų144.466%0.66276%0.759SS**  -160.1-145.9102.644.9-24.3000110.6
296P50.3Low34.2Very low109 Ų109142.8 Ų142.871%0.70875%0.751SS**  cis-116.9-171.5-34.537.7-22.8000111.5
297P45Very low34.3Very low124 Ų124138.3 Ų138.381%0.80575%0.749SS**  -147.7137.5114.836-21.3000116.3
298K39Very low34.1Very low195 Ų195142.6 Ų142.685%0.84876%0.764SS**  trans-158152.4148-77.2-161.2179.9175.70109.5
299P45.5Very low34Very low128 Ų128141.7 Ų141.783%0.83176%0.76SS**  trans-132166.1132.832.8-20.2000113.4
300H29.2Very low34.8Very low177 Ų177140 Ų14082%0.81976%0.756SS**  trans-88.2173.7175.7-60.1-71.6000112.3
301Q33.4Very low34.6Very low165 Ų165140 Ų14077%0.77176%0.757SS**  -178.1144.7102.2-91.9-173.61500113.6
302H27.9Very low34.8Very low139 Ų139141.5 Ų141.564%0.64476%0.764SS**  trans24.2155.8153-43.7-62.3000122.1
303F27.4Very low34.9Very low189 Ų189140.6 Ų140.683%0.82976%0.76SS**  cis-149.3177.131.8-101.4-77.6000115
304T28.9Very low35Very low120 Ų120138.4 Ų138.474%0.73676%0.764SS**  trans-55.1165.4171.949.40000115.7
305S29.8Very low34.6Very low120 Ų120137.4 Ų137.484%0.83975%0.753SS**  cis-162.7-177.28.5-120.90000109.5
306G26.8Very low34.1Very low61 Ų61142.9 Ų142.963%0.62976%0.76SS**  cis152.2158.1-1.600000112.8
307A30.2Very low33.1Very low94 Ų94146.5 Ų146.578%0.77777%0.767SS**  trans67.5140.7-173.800000115.5
308F28.7Very low32.2Very low204 Ų204146.1 Ų146.190%0.89577%0.766SS**  cis-138.7159.725.8-96.4-96.4000114.4
309Q34.2Very low31.7Very low177 Ų177142 Ų14283%0.82776%0.761SS**  trans-156.9172.3160.6-111.7-164.8-400107.5
310P47.1Very low30.8Very low98 Ų98142.8 Ų142.864%0.63676%0.758SS**  cis-102.6-166.41325.1-1.8000111.3
311D29.6Very low30.8Very low136 Ų136140.8 Ų140.873%0.72776%0.758SS**  cis-149.7175.231.9-70-81000110.3
312E35.1Very low30.5Very low171 Ų171137.6 Ų137.680%0.79976%0.76SS**  cis-149.6-169.46.8-133.4-77.772.600109.2
313E32.6Very low30.6Very low142 Ų142134.6 Ų134.666%0.66477%0.767SS**  trans-99.1153.6-165.1164.7167.5-150.600117.8
314A32.3Very low30.8Very low86 Ų86133.2 Ų133.271%0.71176%0.763SS**  trans78.8160147.900000123.5
315K32.2Very low30.7Very low149 Ų149134.5 Ų134.565%0.64876%0.759SS**  cis178.8163.6-30.9-160.1168.5-159.7154.10108.9
316R30Very low30.8Very low216 Ų216136.4 Ų136.482%0.81575%0.752SS**  trans74.8165.4165.6-49.4176.1-155.2-90.81.7115.9
317H29.1Very low30.9Very low185 Ų185140.8 Ų140.886%0.85676%0.761SS**  -169.2175.8-55.6-104.411000109
318C27Very low30.8Very low116 Ų116143.9 Ų143.978%0.78476%0.764SS**  trans-85.5167.6-166.1-50.10000116.4
319C28.3Very low31.3Very low110 Ų110141.7 Ų141.774%0.74376%0.759SS**  trans91.3135.3133.281.70000124.5
320N27.5Very low31.2Very low143 Ų143139.8 Ų139.877%0.76575%0.754SS**  trans90.4102.5143.4-64.9-2.6000124.3
321T28Very low30.5Very low135 Ų135142.3 Ų142.383%0.82876%0.761SS**  76.6107.8115.8-44.90000123.7
322A28.2Very low30.5Very low98 Ų98143.3 Ų143.381%0.8177%0.773SS**  trans-166.1154.614100000107.3
323G28.9Very low30.1Very low76 Ų76139 Ų13978%0.78477%0.774SS**  cis87.4127.146.300000110.6
324Q31.5Very low30Very low160 Ų160143.6 Ų143.675%0.74879%0.785SS**  cis-169.2157.6-0.3-152.6-178.632.700110.9
325F28.2Very low29.9Very low148 Ų148144.7 Ų144.765%0.64979%0.788SS**  trans69132.7153-76.8-44.9000126.3
326K31Very low30Very low160 Ų160144.8 Ų144.870%0.69680%0.796SS**  trans80113.6130.8-70.4167.8-172.6171.90123.6
327N29.3Very low31Very low152 Ų152141.1 Ų141.181%0.81380%0.8SS**  31.7130.3125.6-45.312.5000120.1
328N28.7Very low30.8Very low159 Ų159136.2 Ų136.285%0.8580%0.8SS**  -174.9168.586.6-145-2.7000114
329M39.5Very low31.1Very low159 Ų159135.2 Ų135.278%0.78380%0.799SS**  trans-91.6150.5165.8-99.4-87.6-168.600111.4
330N31.6Very low31.1Very low137 Ų137135.8 Ų135.873%0.73380%0.799SS**  173.9127129.3-93.6-40.6000116.1
331L32.6Very low31.2Very low150 Ų150134.6 Ų134.679%0.78580%0.798SS**  trans29.4126.1136.3-65.5164.1000122
332T28.4Very low31.4Very low158 Ų158133.3 Ų133.397%0.96979%0.794SS**  -168.2147.5123.98.20000113.2
333G26.9Very low31.5Very low80 Ų80134.5 Ų134.583%0.82580%0.796SS**  trans150119.7171.600000113.7
334R30.3Very low31.3Very low238 Ų238134.6 Ų134.690%0.89880%0.797SS**  trans-158.2122.8-175.2171.1-169173-98.8-0.5112.7
335S30.4Very low31.3Very low110 Ų110134.8 Ų134.877%0.76980%0.803SS**  trans176.4123145.1520000113.9
336D34.8Very low32Very low151 Ų151133.4 Ų133.481%0.80781%0.809SS**  trans-83.8170.1161.3-40.2-84.6000110.9
337P51.1Low31.9Very low138 Ų138134.8 Ų134.890%0.89681%0.81SS**  -153.6159.58439.3-20.3000117.9
338G25.8Very low32Very low83 Ų83132.6 Ų132.686%0.85681%0.806SS**  trans-178.5147.4167.500000113.8
339A31.6Very low32.1Very low94 Ų94132.2 Ų132.278%0.77780%0.799SS**  trans-102.6172.5-176.200000112
340T29.3Very low31.7Very low122 Ų122128.6 Ų128.675%0.74880%0.795SS**  cis-167.8170.242.2-32.40000112.4
341T29.6Very low31.5Very low119 Ų119129 Ų12973%0.7380%0.796SS**  trans60.7106.8163440000118.2
342S31.4Very low31.5Very low107 Ų107127 Ų12775%0.74879%0.791SS**  71.6135.480.974.70000114.7
343S30.2Very low31.5Very low123 Ų123125.7 Ų125.786%0.8678%0.783SS**  cis-166.2154.71350.40000113
344G26.1Very low31.6Very low78 Ų78128.3 Ų128.380%0.80478%0.783SS**  trans133.7105.415300000118.3
345L29.6Very low31.6Very low165 Ų165121.5 Ų121.586%0.86478%0.777SS**  trans-113174.4161-82.4170.9000108.1
346P43.8Very low31.8Very low118 Ų118124.3 Ų124.377%0.76678%0.779SS**  cis-123.8-17911.635.3-14.5000113.5
347R29.8Very low32.3Very low190 Ų190123.1 Ų123.172%0.71778%0.779SS**  cis84.5104.421.4-171.2-167.9163.3157.60.6118.2
348S30.6Very low31.2Very low106 Ų106119.8 Ų119.874%0.74177%0.77SS**  trans-167139.3145.257.30000107.4
349Q29.9Very low31.4Very low151 Ų151119.4 Ų119.471%0.70677%0.766SS**  57.313051.2-64.9-174.8-67.500112.3
350A31Very low31.9Very low83 Ų83121 Ų12169%0.68677%0.768SS**  cis-158.7-164-11.400000107.5
351D29.1Very low31.9Very low144 Ų144122.8 Ų122.877%0.7777%0.772SS**  cis-161.7-161.78.3-140.6-49.2000111.6
352T31.2Very low32.4Very low110 Ų110122.1 Ų122.168%0.67577%0.77SS**  trans-45.9143.9175.755.50000118.4
353T30Very low32.1Very low129 Ų129125.6 Ų125.679%0.79178%0.779SS**  165.7137.7107.344.20000115.3
354T28.3Very low32Very low136 Ų136125.7 Ų125.783%0.83478%0.775SS**  trans24.1120139.2-43.90000122.3
355A30Very low32Very low94 Ų94129 Ų12978%0.77778%0.779SS**  168.3131.8118.700000115.3
356E34.7Very low31.9Very low170 Ų170126.2 Ų126.279%0.79477%0.773SS**  trans-85.4157.4146.1-88.4-75.6143.500107.6
357P44.4Very low31.2Very low126 Ų126126.3 Ų126.382%0.81878%0.777SS**  cis-152.9162.347.141.4-20.4000120.5
358G28.7Very low31.2Very low68 Ų68124 Ų12470%0.70178%0.779SS**  97.6145129.500000120.8
359G30.6Very low31.2Very low75 Ų75125.4 Ų125.477%0.77378%0.782SS**  trans-91.6-166.3163.600000112.8
360P40.7Very low31.3Very low128 Ų128126 Ų12683%0.83179%0.787SS**  cis-141.8-171.532.743-23.6000117.3
361L30.5Very low31.6Very low159 Ų159128.1 Ų128.183%0.83279%0.794SS**  trans-31.2173.5159.5-58.5175.7000118.3
362P39.3Very low31.5Very low104 Ų104125.9 Ų125.968%0.67580%0.795SS**  cis-132.5-174.6-25.333-13.7000113.3
363L26.1Very low31.5Very low180 Ų180127.4 Ų127.494%0.94281%0.805SS**  trans-135140.7154.6-79.3179.4000112.4
364T27.2Very low31.6Very low125 Ų125129.8 Ų129.877%0.76781%0.807SS**  trans-125.4141.8176.351.80000110.1
365V26.3Very low31.7Very low147 Ų147129 Ų12989%0.89181%0.805SS**  trans-156.1145.6150.91200000110.3
366S28.2Very low31.8Very low107 Ų107130.8 Ų130.875%0.74880%0.799SS**  trans-101.8165.2-176.3-440000112
367S29.1Very low31.3Very low121 Ų121130 Ų13085%0.84680%0.795SS**  trans-149.7136.9141.9-169.20000110.6
368D29.7Very low30.6Very low140 Ų140134.8 Ų134.875%0.74980%0.798SS**  trans-92-176.5175.5-72.9-73.7000112.3
369V29.6Very low30.6Very low136 Ų136133.8 Ų133.882%0.82479%0.787SS**  trans93.3116.2160.7-171.50000116.9
370M33.2Very low30.5Very low163 Ų163137.7 Ų137.780%0.80379%0.789SS**  trans-92164.2169.5-60.6-104.872.900111.1
371P37.2Very low30Very low129 Ų129139.3 Ų139.384%0.83879%0.791SS**  -123.5161.1120.436.2-32.8000112.2
372A26.9Very low30Very low96 Ų96141.9 Ų141.979%0.79379%0.789SS**  trans-107.4147.5-169.600000114.1
373T30.1Very low29.5Very low143 Ų143143.1 Ų143.188%0.87779%0.79SS**  trans-139.2152151.3-65.80000107.9
374Q33.9Very low29.8Very low178 Ų178142 Ų14283%0.83278%0.784SS**PPolyproline II helixtrans-92.2144.5-163.2-56.7170.55.700113.9
375P30.4Very low30Very low121 Ų121141.6 Ų141.679%0.78678%0.784SS**PPolyproline II helixtrans-88.3147.8149.533.2-27.3000111
376I30.8Very low30.1Very low130 Ų130143.7 Ų143.767%0.66778%0.781SS**PPolyproline II helixtrans-80.1132.5-174.6-64.7167.2000111W378I376-W378 HydrophobicContact CG2-CD2 3.86Å; I376-W378 HydrophobicContact CG2-CE3 3.92Å; I376-W378 HydrophobicContact CG2-CH2 4.07Å; I376-W378 HydrophobicContact CG2-CZ2 4.01Å; I376-W378 HydrophobicContact CG2-CZ3 4.02Å
377H24.8Very low30.2Very low153 Ų153145 Ų14571%0.70878%0.784SS**  trans-106.6123.9171153.1-79.4000110.4G379H377-G379 PolarHBondContact CE1-N 3.03Å; H377-G379 VanDerWaalsContact CE1-N 3.26Å; H377-G379 PolarHBondContact NE2-N 3.08Å
378W29.9Very low30.1Very low228 Ų228145.2 Ų145.286%0.86477%0.774SS**  trans-119.772.3165-76-54.8000111.1I376I376-W378 HydrophobicContact CG2-CD2 3.86Å; I376-W378 HydrophobicContact CG2-CE3 3.92Å; I376-W378 HydrophobicContact CG2-CH2 4.07Å; I376-W378 HydrophobicContact CG2-CZ2 4.01Å; I376-W378 HydrophobicContact CG2-CZ3 4.02Å
379G27.9Very low30Very low46 Ų46149.6 Ų149.647%0.47478%0.78SS.*  trans-83.2121.3159.400000110.6H377H377-G379 PolarHBondContact CE1-N 3.03Å; H377-G379 VanDerWaalsContact CE1-N 3.26Å; H377-G379 PolarHBondContact NE2-N 3.08Å
380L29.5Very low29.8Very low158 Ų158150.4 Ų150.483%0.82778%0.78SS**  trans-128.490.1171.3-96.4172.6000111.1
381N29.3Very low29.8Very low162 Ų162147.7 Ų147.787%0.86678%0.777SS**  trans-91122.7158-96.8-49.6000108.3
382R30.9Very low29.5Very low212 Ų212146.9 Ų146.980%0.877%0.769SS**  trans125.6137.4178.7-80.5-174.4170.8-115-4110.2
383L28.8Very low29.8Very low131 Ų131148.9 Ų148.969%0.68677%0.772SS**  cis-148.5138.87.6-110.8154.5000110.6
384L32.6Very low30.1Very low157 Ų157146.6 Ų146.682%0.82277%0.768SS**  trans-73.7129.8157.9-86153000109.4K386L384-K386 PolarHBondContact O-N 3.4Å
385P31.6Very low29.8Very low116 Ų116145.2 Ų145.275%0.75377%0.766SS**  trans-70.5111.4169.4-16.831.4000110.8V387P385-V387 PolarHBondContact O-N 3.02Å
386K28.9Very low30Very low191 Ų191147 Ų14783%0.8376%0.764SS**  trans-75.3110.9161.3-87.7-169.1171.4-170.70108.9L384L384-K386 PolarHBondContact O-N 3.4Å
387V28.5Very low30.1Very low134 Ų134145.5 Ų145.581%0.81276%0.761SS**  trans-94.2100.4161.9-178.60000107.9P385P385-V387 PolarHBondContact O-N 3.02Å
388I28.5Very low30.4Very low126 Ų126149.4 Ų149.465%0.64677%0.769SS**  trans-98.1128.9159.1-69.5177.6000106.7
389R26.3Very low30.5Very low232 Ų232143.3 Ų143.388%0.87576%0.762SS**  trans-87103.4177.7176.3-160.8-62.8148-2.2108.6
390D26.3Very low30.7Very low153 Ų153147.5 Ų147.582%0.81877%0.773SS**  trans-108.8138.8160.3-80.2-45.5000109.5
391S32.1Very low30.8Very low105 Ų105148.2 Ų148.273%0.73477%0.77SS**  trans-109.1165.4176.756.10000111.2
392T31.7Very low30.9Very low112 Ų112147.5 Ų147.569%0.68776%0.761SS**  trans112.5116.6147.9-420000116.5
393T32.4Very low30.8Very low138 Ų138143.7 Ų143.785%0.84776%0.755SS**  trans62154.2158.150.10000120.3
394A36.1Very low30.8Very low95 Ų95145.7 Ų145.779%0.78576%0.761SS**  trans-95.2173.1176.200000112.1
395D28.7Very low31.7Very low150 Ų150143.6 Ų143.680%0.80276%0.756SS**  trans109.9116.8141.9-137.425.9000118.9
396E33.6Very low31.5Very low159 Ų159142.5 Ų142.574%0.74376%0.757SS**  trans33.3123.1151.2-80.9-153.1-167.600125.4
397T33.8Very low31.8Very low97 Ų97139.5 Ų139.560%0.59576%0.755SS**  93.299.5118.2-63.10000121.1
398R31.9Very low32.4Very low236 Ų236141.6 Ų141.689%0.89176%0.756SS**  trans76.5144.1141.5-65.2166.477.6166.23.8122.4
399S30.9Very low32.6Very low100 Ų100143.5 Ų143.570%0.69977%0.767SS**  trans94.397.8139.5-157.20000121.1
400D32.4Very low33.1Very low133 Ų133138.4 Ų138.471%0.71176%0.762SS**  47.4136.3125.6-58.7-6.2000124.9
401F30.7Very low33.5Very low173 Ų173137.8 Ų137.876%0.75976%0.764SS**  trans83.9122.3148.1-71-57.6000124.2
402H31.3Very low33.5Very low148 Ų148141.9 Ų141.969%0.68577%0.768SS**  trans68.4112.6137.4-70.9-52000124.8
403I30.4Very low33.9Very low132 Ų132143.1 Ų143.168%0.67777%0.77SS**  57.5110.2120.2-58.8176.2000120
404H28.7Very low33.9Very low173 Ų173146.4 Ų146.480%0.80177%0.773SS**  29.8160.4127.5-60.5-57.4000123.3
405P50.3Low33.9Very low112 Ų112148.7 Ų148.773%0.72777%0.772SS**  cis-142.2-173-22.736.9-16.7000115.7
406A29Very low34.2Very low93 Ų93148.1 Ų148.177%0.76977%0.774SS**  trans74.7158.915700000117.1
407T34Very low34.2Very low129 Ų129148.5 Ų148.579%0.79178%0.78SS**  cis-138161.418.346.10000115.5
408E40.4Very low34.5Very low177 Ų177148.8 Ų148.883%0.82778%0.784SS**  trans-12.8143.9159.2-54.3172.8162.500120.7
409N33.3Very low34.9Very low167 Ų167146.4 Ų146.489%0.89378%0.783SS**  trans-159.4157.9131.1-115.6-45.4000112.4
410T38Very low35.7Very low125 Ų125150.4 Ų150.477%0.76779%0.79SS**  trans-130.7131.3-17254.20000113.7
411V34Very low36.6Very low140 Ų140152.3 Ų152.385%0.84880%0.795SS**  trans-164.1120.8144.9-104.60000114.4
412K31.6Very low37.8Very low191 Ų191153 Ų15383%0.8380%0.801SS**  trans17.1115.6141.2-60.8177.1179.8178.40121.1
413L40.4Very low39.4Very low138 Ų138151.2 Ų151.272%0.72379%0.793SS**  44.1109.5110.5-108.2166.9000119.3N415L413-N415 VanDerWaalsContact CD2-OD1 3.27Å; L413-N415 WeakPolarHBondContact CD2-OD1 3.48Å
414F32Very low41.3Very low207 Ų207151.1 Ų151.191%0.90879%0.789SS**  trans-138.4131.5134.8-94.1-82.7000108.4
415N35.9Very low43.7Very low143 Ų143145.4 Ų145.477%0.76577%0.767SS**  trans-88130.4171.3-74.415.2000109.2L413L413-N415 VanDerWaalsContact CD2-OD1 3.27Å; L413-N415 WeakPolarHBondContact CD2-OD1 3.48Å
416T35Very low45.4Very low137 Ų137144.2 Ų144.284%0.8476%0.758SS**  trans-118.2119.4154.644.10000107.3
417L34.6Very low48.3Very low167 Ų167140.9 Ų140.987%0.87473%0.728SS**PPolyproline II helixtrans-77.5134.7176.3-17274.5000108.3
418P39.8Very low51Low103 Ų103137.5 Ų137.567%0.66970%0.704SS**PPolyproline II helixtrans-70.2143.3164.831.2-32.8000109.7
419E41Very low53.3Low187 Ų187129.4 Ų129.487%0.87467%0.666SS**PPolyproline II helixtrans-69.6130172.2-149.8151.9-173.900107.8E421E419-E421 PolarHBondContact O-N 3.24Å
420E46.8Very low56.1Low184 Ų184125.2 Ų125.286%0.8664%0.64SS**  trans-78.9101.6177.8-71.1-174.316200108.4E422E420-E422 PolarHBondContact O-N 3.05Å
421E51.9Low58.5Low173 Ų173119.4 Ų119.481%0.80860%0.604SS**  trans-69.1116.2168.6-67.4178.5165.900108.4E419 E423E419-E421 PolarHBondContact O-N 3.24Å; E421-E423 PolarHBondContact O-N 3.16Å
422E55.7Low61.1Low187 Ų187112.9 Ų112.987%0.87457%0.565SS**  trans-76.3103.4178.1-65.2-176.6162.200109.1E420 E424E420-E422 PolarHBondContact O-N 3.05Å; E422-E424 PolarHBondContact O-N 3.32Å
423E64.4Low63.7Low111 Ų111105.1 Ų105.152%0.51953%0.531SS..  trans-64.2123.8178.1-71.2-169.5166.100111.4H179 E421H179-E423 WeakPolarHBondContact CB-OE2 3.29Å; E421-E423 PolarHBondContact O-N 3.16Å
424E71.4Confident65.3Low130 Ų130103.9 Ų103.961%0.60752%0.522SS*.  trans-71.1144.7-174.8-65.7-173.3108.100113.3L219 E422 V426L219-E424 HydrophobicContact CD2-CB 4.04Å; L219-E424 HydrophobicContact CD2-CG 4.32Å; L219-E424 WeakPolarHBondContact CD2-OE1 3.44Å; L219-E424 WeakPolarHBondContact CD2-OE2 3.41Å; E422-E424 PolarHBondContact O-N 3.32Å; E424-V426 PolarHBondContact O-N 3.17Å
425P77.7Confident66.5Low52 Ų52100.1 Ų100.134%0.33851%0.511SS..  trans-72113.3-171.727.1-35.2000113.6V177 E178 V189 T427V177-P425 CarbonylContact O-C 3.47Å; V177-P425 VanDerWaalsContact O-CA 3.31Å; V177-P425 WeakPolarHBondContact O-CA 3.18Å; E178-P425 HydrophobicContact CB-CB 4.25Å; V189-P425 HydrophobicContact CG2-CB 4.07Å; P425-T427 PolarHBondContact O-N 3.49Å; P425-T427 PolarHBondContact O-OG1 3.41Å
426V86.6Confident67.2Low88 Ų8894.4 Ų94.453%0.53348%0.483SS..EExtended strand (participates in β ladder)trans-57128.1173.9-179.60000110.1S176 V177 E424S176-V426 CarbonylContact C-O 3.49Å; S176-V426 WeakPolarHBondContact CA-O 3.44Å; V177-V426 PolarHBondContact N-O 2.92Å; V177-V426 PolarHBondContact O-N 2.85Å; E424-V426 PolarHBondContact O-N 3.17Å
427T89.1Confident67.9Low23 Ų2392.5 Ų92.514%0.14147%0.473CS..EExtended strand (participates in β ladder)trans-113.9125.7-175.3-65.70000111.9Q174 I175 S176 V217 P425Q174-T427 HydrophobicContact CG-CG2 3.64Å; I175-T427 WeakPolarHBondContact O-CA 3.3Å; S176-T427 WeakPolarHBondContact CB-OG1 3.41Å; S176-T427 PolarHBondContact OG-OG1 3.44Å; V217-T427 HydrophobicContact CB-CG2 4.34Å; V217-T427 PolarHBondContact N-O 2.9Å; P425-T427 PolarHBondContact O-N 3.49Å; P425-T427 PolarHBondContact O-OG1 3.41Å
428M91.3Very high68.8Low58 Ų5889.3 Ų89.329%0.28646%0.457SS..EExtended strand (participates in β ladder)trans-122.4142.7-178.4-61.6176.367.100109.8Q174 I175 V214 Y215 V216 F430Q174-M428 CarbonylContact C-O 3.56Å; Q174-M428 WeakPolarHBondContact CA-O 3.38Å; I175-M428 PolarHBondContact N-O 3.5Å; I175-M428 PolarHBondContact O-N 3.05Å; V214-M428 HydrophobicContact CG1-CB 4.47Å; V214-M428 HydrophobicContact CG1-CE 3.66Å; Y215-M428 CarbonylContact O-C 3.48Å; V216-M428 HydrophobicContact CG2-CG 4.24Å; M428-F430 HydrophobicContact CB-CE2 3.91Å; M428-F430 HydrophobicContact CB-CZ 4.48Å; M428-F430 HydrophobicContact CE-CZ 3.97Å
429I89.8Confident69.7Low6 Ų693 Ų933%0.03147%0.466CS..EExtended strand (participates in β ladder)trans-124.2119.6177.3-52.5-173.3000109.5A172 I173 Q174 V194 I199 V214 Y215 V217 I431A172-I429 HydrophobicContact CB-CG2 4.4Å; I173-I429 WeakPolarHBondContact O-CA 3.39Å; Q174-I429 HydrophobicContact CB-CD1 4.17Å; Q174-I429 HydrophobicContact CB-CG1 3.88Å; Q174-I429 HydrophobicContact CG-CD1 4.22Å; Q174-I429 HydrophobicContact CG-CG1 3.94Å; V194-I429 HydrophobicContact CG2-CG2 3.81Å; I199-I429 HydrophobicContact CD1-CG2 3.65Å; I199-I429 HydrophobicContact CG1-CD1 4.06Å; I199-I429 HydrophobicContact CG1-CG2 4.02Å; I199-I429 HydrophobicContact CG2-CB 4.14Å; I199-I429 HydrophobicContact CG2-CD1 4.06Å; I199-I429 HydrophobicContact CG2-CG2 4.02Å; V214-I429 WeakPolarHBondContact CA-O 3.36Å; Y215-I429 PolarHBondContact N-O 3.19Å; Y215-I429 PolarHBondContact O-N 3.42Å; V217-I429 HydrophobicContact CG2-CD1 3.55Å; V217-I429 HydrophobicContact CG2-CG1 3.91Å; I429-I431 HydrophobicContact CG2-CG1 4.39Å
430F90.6Very high70.6Confident80 Ų8092.7 Ų92.735%0.35146%0.464SS..EExtended strand (participates in β ladder)trans-96.1128.6178.2-62.5-100.3000108.6A172 I173 I175 V214 M428A172-F430 CarbonylContact C-O 3.49Å; A172-F430 WeakPolarHBondContact CA-O 3.43Å; I173-F430 PolarHBondContact N-O 3.03Å; I173-F430 PolarHBondContact O-N 3.5Å; I175-F430 HydrophobicContact CD1-CD2 3.97Å; I175-F430 HydrophobicContact CD1-CE2 3.87Å; I175-F430 HydrophobicContact CG1-CD2 4.28Å; I175-F430 HydrophobicContact CG1-CE2 4.31Å; V214-F430 HydrophobicContact CB-CD1 4.48Å; V214-F430 HydrophobicContact CG1-CD1 4.21Å; V214-F430 HydrophobicContact CG1-CE1 4Å; V214-F430 HydrophobicContact CG1-CE2 4.49Å; V214-F430 HydrophobicContact CG1-CZ 4.14Å; V214-F430 HydrophobicContact CG2-CD1 3.53Å; V214-F430 HydrophobicContact CG2-CE1 3.64Å; V214-F430 HydrophobicContact CG2-CG 4.38Å; M428-F430 HydrophobicContact CB-CE2 3.91Å; M428-F430 HydrophobicContact CB-CZ 4.48Å; M428-F430 HydrophobicContact CE-CZ 3.97Å
431I89.6Confident71.1Confident2 Ų292.3 Ų92.31%0.0146%0.462CS..EExtended strand (participates in β ladder)trans-121.2131.7178.7-51.4-172.8000108.5A169 F171 A172 P196 I199 T212 S213 Y215 I429 Y433A169-I431 HydrophobicContact CB-CG2 3.47Å; A169-I431 VanDerWaalsContact CB-CG2 3.47Å; F171-I431 WeakPolarHBondContact O-CA 3.25Å; A172-I431 HydrophobicContact CB-CB 4.47Å; A172-I431 HydrophobicContact CB-CG1 3.92Å; A172-I431 HydrophobicContact CB-CG2 4.48Å; P196-I431 HydrophobicContact CB-CG2 4.48Å; I199-I431 HydrophobicContact CB-CD1 3.98Å; I199-I431 HydrophobicContact CD1-CD1 3.89Å; I199-I431 HydrophobicContact CD1-CG1 4.25Å; I199-I431 HydrophobicContact CG2-CD1 3.91Å; T212-I431 CarbonylContact C-O 3.56Å; T212-I431 VanDerWaalsContact CA-O 3.24Å; T212-I431 WeakPolarHBondContact CA-O 3.5Å; S213-I431 PolarHBondContact N-O 3.23Å; S213-I431 PolarHBondContact O-N 3.35Å; Y215-I431 HydrophobicContact CD2-CD1 3.71Å; Y215-I431 HydrophobicContact CD2-CG1 4.09Å; Y215-I431 HydrophobicContact CE2-CD1 3.63Å; Y215-I431 HydrophobicContact CE2-CG1 4.27Å; I429-I431 HydrophobicContact CG2-CG1 4.39Å; I431-Y433 HydrophobicContact CB-CE2 4.49Å; I431-Y433 HydrophobicContact CG2-CE1 4.23Å; I431-Y433 HydrophobicContact CG2-CE2 4.22Å
432G87.8Confident71.3Confident3 Ų392.2 Ų92.23%0.03146%0.462CS..EExtended strand (participates in β ladder)trans-107.7140.5171.100000111.3A169 T170 F171A169-G432 CarbonylContact C-O 3.59Å; A169-G432 WeakPolarHBondContact CA-O 3.33Å; T170-G432 PolarHBondContact N-O 3.07Å; F171-G432 PolarHBondContact O-N 3.25Å
433Y85.4Confident71.2Confident28 Ų2890.1 Ų90.111%0.1146%0.457CS..EExtended strand (participates in β ladder)trans-113.1144.4-179.5-56.6-88.7000111.4K167 Q168 A169 H200 R211 S213 I431K167-Y433 HydrophobicContact CB-CD1 3.56Å; K167-Y433 HydrophobicContact CB-CE1 4.13Å; K167-Y433 HydrophobicContact CB-CG 4.07Å; K167-Y433 WeakPolarHBondContact O-CD1 3.35Å; Q168-Y433 WeakPolarHBondContact O-CA 3.48Å; A169-Y433 HydrophobicContact CB-CD1 3.75Å; A169-Y433 HydrophobicContact CB-CE1 3.77Å; H200-Y433 PolarHBondContact CE1-OH 3.36Å; R211-Y433 PolarHBondContact O-N 3.08Å; S213-Y433 WeakPolarHBondContact OG-CE2 3.14Å; I431-Y433 HydrophobicContact CB-CE2 4.49Å; I431-Y433 HydrophobicContact CG2-CE1 4.23Å; I431-Y433 HydrophobicContact CG2-CE2 4.22Å
434E75.9Confident70.9Confident112 Ų11292.7 Ų92.752%0.52347%0.472SS..SBendtrans-81.4126.4173.2-131.5172.6125.100110.5Q168 T170Q168-E434 PolarHBondContact O-N 3.31Å; T170-E434 WeakPolarHBondContact OG1-CB 3.47Å; T170-E434 PolarHBondContact OG1-N 3.46Å; T170-E434 PolarHBondContact OG1-OE2 2.82Å
435N56.8Low69.9Low129 Ų12994.8 Ų94.869%0.6948%0.482SS*.  trans47.775.7163.2-50.6-35.5000115.7
436A50.3Low68.7Low22 Ų2297 Ų9718%0.18251%0.505CS..  trans-65.6139.2146.200000108.4
437P48.9Very low67.4Low97 Ų97101.1 Ų101.163%0.6352%0.518SS*.  trans-64.9137.2170.728.3-33.5000109.8E439P437-E439 PolarHBondContact O-N 3.46Å; P437-E439 VanDerWaalsContact O-N 3.12Å
438D53.7Low65.9Low101 Ų101107.8 Ų107.854%0.5455%0.552SS.*  trans-77.292172.9-76.7-66.6000109.6R211 E440R211-D438 IonicContact CZ-OD1 3.7Å; R211-D438 IonicContact CZ-OD2 2.67Å; R211-D438 IonicContact NH2-OD1 3.67Å; R211-D438 PolarHBondContact NH2-OD1 3.19Å; R211-D438 IonicContact NH2-OD2 2.8Å; R211-D438 PolarHBondContact NH2-OD2 3Å; D438-E440 PolarHBondContact O-N 3.35Å
439E58.8Low64.5Low181 Ų181110 Ų11085%0.84657%0.569SS**THydrogen-bonded Turntrans-78.61.5175.2-63-160.9146.400113.4P437P437-E439 PolarHBondContact O-N 3.46Å; P437-E439 VanDerWaalsContact O-N 3.12Å
440E60.1Low63Low180 Ų180115.5 Ų115.584%0.84160%0.603SS**THydrogen-bonded Turntrans-128.342.8-178.3-64.6-173.3174.800113.3D438 E442D438-E440 PolarHBondContact O-N 3.35Å; E440-E442 PolarHBondContact O-N 3.16Å
441E56.9Low61Low175 Ų175118.6 Ų118.682%0.81862%0.622SS**  trans-72.478.2153.2-76.3-163.6156.400109.5D443E441-D443 PolarHBondContact O-N 2.62Å
442E56.8Low58.8Low171 Ų171121.4 Ų121.480%0.79965%0.651SS**  trans-68112.4164.6-73.8-160.4142.100109.4E440 I444E440-E442 PolarHBondContact O-N 3.16Å; E442-I444 WeakPolarHBondContact O-CG1 3.4Å; E442-I444 PolarHBondContact O-N 2.95Å
443D53.8Low57.1Low144 Ų144129 Ų12977%0.7769%0.691SS**  trans-56.794.8175.9-90.1-43000111.7E441 Q445E441-D443 PolarHBondContact O-N 2.62Å; D443-Q445 VanDerWaalsContact C-N 3.29Å; D443-Q445 PolarHBondContact O-N 3.03Å
444I57.5Low55.4Low164 Ų164133.3 Ų133.384%0.84173%0.725SS**  trans-72.681.9177.3-50.9-175.9000110.4E442 A446E442-I444 WeakPolarHBondContact O-CG1 3.4Å; E442-I444 PolarHBondContact O-N 2.95Å; I444-A446 PolarHBondContact O-N 2.86Å; I444-A446 VanDerWaalsContact O-N 3.16Å
445Q49.8Very low54.2Low174 Ų174135.6 Ų135.681%0.81374%0.741SS**  trans-74.5100.4174.6-64-172.213.900111D443D443-Q445 VanDerWaalsContact C-N 3.29Å; D443-Q445 PolarHBondContact O-N 3.03Å
446A53.6Low53.6Low98 Ų98132.6 Ų132.681%0.8174%0.74SS**  trans-89.8104.917500000111.7I444I444-A446 PolarHBondContact O-N 2.86Å; I444-A446 VanDerWaalsContact O-N 3.16Å
447E60.1Low53.7Low176 Ų176139.7 Ų139.782%0.82277%0.77SS**  trans-83.5125.2172.7-172.7177.6179.100111.5V449E447-V449 PolarHBondContact O-N 3.25Å; E447-V449 VanDerWaalsContact O-N 3.07Å
448L55.9Low53.8Low162 Ų162142.8 Ų142.885%0.84878%0.776SS**  trans-82.682.3179-17272.4000111.6T450L448-T450 PolarHBondContact O-N 3.28Å
449V62.3Low53.5Low105 Ų105144 Ų14464%0.63678%0.782SS**  trans-67.399.4174.5-178.70000110.3E447 I451E447-V449 PolarHBondContact O-N 3.25Å; E447-V449 VanDerWaalsContact O-N 3.07Å; V449-I451 HydrophobicContact CG1-CG1 4.29Å; V449-I451 PolarHBondContact O-N 3.16Å
450T59.2Low53.1Low122 Ų122143.9 Ų143.975%0.74878%0.775SS**  trans-78.4102170-53.80000109.3L448 G452L448-T450 PolarHBondContact O-N 3.28Å; T450-G452 PolarHBondContact O-N 3.26Å
451I47.1Very low52.2Low145 Ų145142.4 Ų142.474%0.74477%0.773SS**  trans-72.3110.9172.5-57.3176.3000108.3V449V449-I451 HydrophobicContact CG1-CG1 4.29Å; V449-I451 PolarHBondContact O-N 3.16Å
452G44.5Very low51.4Low61 Ų61140.2 Ų140.263%0.62977%0.767SS**  trans-97.1117.617000000110.8T450T450-G452 PolarHBondContact O-N 3.26Å
453D51.1Low51Low163 Ų163138.2 Ų138.287%0.87276%0.757SS**  trans-65.1137.7167.5-65.5-45.2000109.8
454S50.1Low50.7Low117 Ų117137.9 Ų137.982%0.81875%0.751SS**  trans-148.286.5-162.6172.30000115.1
455D51.1Low50.2Low161 Ų161138.2 Ų138.286%0.86175%0.746SS**  trans-142.6142146.143.69.4000107.5
456G45.1Very low49.9Very low66 Ų66135.4 Ų135.468%0.6875%0.745SS**  cis107.811425.800000107.8
457E51.5Low49.1Very low170 Ų170139.5 Ų139.579%0.79475%0.747SS**  cis-147.417410.5-73.6-76.8-156.700110.6
458E50.3Low48.4Very low163 Ų163137.8 Ų137.876%0.76274%0.743SS**  trans24.4138.7152.1-59.8179.2157.200120.6
459D48.1Very low47.6Very low125 Ų125137.2 Ų137.267%0.66874%0.741SS**  -166.6179.361.1-158.422.9000116.3
460Y50.6Low46.6Very low179 Ų179140.3 Ų140.370%0.70275%0.753SS**  trans-51.8160.1-160.8-56.6-69.9000124.2
461N41.1Very low45.7Very low149 Ų149142 Ų14280%0.79775%0.752SS**  trans76.6143.9147.6-71.5-30.5000118.1
462D40.1Very low45.3Very low129 Ų129145.6 Ų145.669%0.6976%0.758SS**  cis-158.617114.2-163.49.6000113.2
463H47.3Very low45.2Very low129 Ų129153 Ų15360%0.59777%0.767SS**  trans55.3111.3149.4-95.361.8000123.4
464H48.4Very low44.9Very low137 Ų137153.1 Ų153.163%0.63476%0.762SS**  79.9114.5122.8-82.733.8000122.6
465K46Very low44.7Very low171 Ų171155.1 Ų155.174%0.74376%0.758SS**  trans59118.9130.8-66.7-173.4179.1178.40121.2
466C43.7Very low44.4Very low116 Ų116154.7 Ų154.778%0.78476%0.755SS**  53.9107128.7-53.60000118.9
467H37.4Very low44.4Very low184 Ų184158.2 Ų158.285%0.85276%0.758SS**  trans-151143.1136-125.2-79.9000111.7
468D45.3Very low44.1Very low140 Ų140155 Ų15575%0.74975%0.754SS**  trans-70.2167168.5-56.1-80.3000111.6
469N39.7Very low43.9Very low149 Ų149157.4 Ų157.480%0.79776%0.758SS**  trans93.896.3174.8-54-84000117.5
470L41.5Very low43.9Very low170 Ų170158.5 Ų158.589%0.8976%0.759SS**  trans-131.494.2138.5-81.8166.3000104.6
471H38.7Very low44Very low159 Ų159156.1 Ų156.174%0.73677%0.765SS**  40.881.572.4-150-36.3000110.8R473H471-R473 PolarHBondContact O-N 3.29Å
472Y40.6Very low44.6Very low220 Ų220155.9 Ų155.986%0.86376%0.759SS**  trans-53.4133.9162.5-115-103.6000108E474Y472-E474 PolarHBondContact O-N 2.73Å
473R41.1Very low44.7Very low217 Ų217152.8 Ų152.882%0.81976%0.757SS**  trans-77.693.5178.9-172.8-163-56.6-163.44107.5H471 E475H471-R473 PolarHBondContact O-N 3.29Å; R473-E475 PolarHBondContact O-N 3.3Å
474E44.4Very low44.5Very low164 Ų164153.3 Ų153.377%0.76677%0.774SS**  trans-60110.8168.8-164165.7-128.500107.5Y472 L476Y472-E474 PolarHBondContact O-N 2.73Å; E474-L476 PolarHBondContact O-N 3.25Å; E474-L476 VanDerWaalsContact O-N 3.1Å
475E47.2Very low44.6Very low159 Ų159153.6 Ų153.674%0.74378%0.779SS**  trans-79.796.4-174.1-172.6158-123.800108.4R473 L477R473-E475 PolarHBondContact O-N 3.3Å; E475-L477 VanDerWaalsContact C-N 3.3Å; E475-L477 PolarHBondContact O-N 3.04Å
476L44.8Very low44.8Very low152 Ų152149.3 Ų149.380%0.79677%0.77SS**  trans-63.889.8-179.3-8196.4000110.9E474 S478E474-L476 PolarHBondContact O-N 3.25Å; E474-L476 VanDerWaalsContact O-N 3.1Å; L476-S478 VanDerWaalsContact C-N 3.34Å; L476-S478 PolarHBondContact O-N 3.39Å
477L45.3Very low45.6Very low140 Ų140153.2 Ų153.273%0.73377%0.774SS**  trans-59.796.1163.5-71.8171000108.7E475 Y479E475-L477 VanDerWaalsContact C-N 3.3Å; E475-L477 PolarHBondContact O-N 3.04Å; L477-Y479 VanDerWaalsContact C-N 3.29Å; L477-Y479 PolarHBondContact O-N 2.87Å
478S45.5Very low46.6Very low103 Ų103151.8 Ų151.872%0.7277%0.771SS**  trans-7477.9-175.5460000111.6L476 H480L476-S478 VanDerWaalsContact C-N 3.34Å; L476-S478 PolarHBondContact O-N 3.39Å; S478-H480 PolarHBondContact O-N 3.37Å
479Y45.6Very low46.6Very low214 Ų214153 Ų15384%0.83977%0.77SS**  trans-56.999.6167.3-88.4-88.4000110.4L477L477-Y479 VanDerWaalsContact C-N 3.29Å; L477-Y479 PolarHBondContact O-N 2.87Å
480H47.2Very low47.4Very low148 Ų148154.1 Ų154.169%0.68577%0.77SS**  trans-63.2128.9168.6-103.5-95000109.2S478 E482S478-H480 PolarHBondContact O-N 3.37Å; H480-E482 PolarHBondContact O-N 3.04Å; H480-E482 VanDerWaalsContact O-N 3.11Å
481P53.1Low48Very low129 Ų129149.8 Ų149.884%0.83875%0.752SS**SBendtrans-74.33.8179.130.9-35.5000113.5
482E53.2Low48.6Very low144 Ų144152.3 Ų152.367%0.67376%0.761SS**SBendtrans-119.293.7-172.6-66.4175.8159.700109.6H480H480-E482 PolarHBondContact O-N 3.04Å; H480-E482 VanDerWaalsContact O-N 3.11Å
483G41.7Very low49.2Very low63 Ų63148.3 Ų148.365%0.64976%0.759SS**  trans-63.5156.2176.600000112.9I485G483-I485 WeakPolarHBondContact O-CG1 3.37Å; G483-I485 PolarHBondContact O-N 3.13Å
484C43.3Very low49.6Very low140 Ų140141.3 Ų141.395%0.94676%0.755SS**  trans-4898.8-171.8-66.10000114.5S486C484-S486 PolarHBondContact O-N 3.34Å; C484-S486 VanDerWaalsContact O-N 3.1Å
485I52.2Low49.7Very low144 Ų144141 Ų14174%0.73876%0.758SS**  trans-71.9106.6179.9-45177.4000109.4G483 K487G483-I485 WeakPolarHBondContact O-CG1 3.37Å; G483-I485 PolarHBondContact O-N 3.13Å; I485-K487 PolarHBondContact O-N 3.12Å
486S49.4Very low49.4Very low80 Ų80138.1 Ų138.156%0.55976%0.761SS**  trans-57.7119.4176177.60000111.2C484 I488C484-S486 PolarHBondContact O-N 3.34Å; C484-S486 VanDerWaalsContact O-N 3.1Å; S486-I488 PolarHBondContact O-N 3.26Å
487K59.7Low49.5Very low199 Ų199141.4 Ų141.487%0.86576%0.763SS**THydrogen-bonded Turntrans-72.98-178-68.4-172.7176.7178.50114.4I485I485-K487 PolarHBondContact O-N 3.12Å
488I58.4Low49.2Very low154 Ų154139.8 Ų139.879%0.7977%0.77SS**THydrogen-bonded Turntrans-96.5-14.8-168.7-48.3-178.4000112.6S486S486-I488 PolarHBondContact O-N 3.26Å
489F46.6Very low49Very low164 Ų164139.6 Ų139.672%0.71978%0.775SS**  trans-139.6108.9177.8-162.3-112.5000113.8P491F489-P491 HydrophobicContact CD1-CB 4.49Å; F489-P491 HydrophobicContact CD1-CG 4.16Å; F489-P491 HydrophobicContact CE1-CB 3.82Å; F489-P491 HydrophobicContact CE1-CG 3.85Å; F489-P491 HydrophobicContact CZ-CB 4.18Å
490Q54.9Low48.6Very low173 Ų173133.2 Ų133.281%0.80877%0.774SS**  trans-116.892.2169.8-70.8-173-500109.9K492Q490-K492 PolarHBondContact O-N 2.82Å
491P54.5Low48.5Very low79 Ų79130.2 Ų130.251%0.51378%0.783SS.*  trans-69.8117.6176.727.8-31.5000109.8F489 V493F489-P491 HydrophobicContact CD1-CB 4.49Å; F489-P491 HydrophobicContact CD1-CG 4.16Å; F489-P491 HydrophobicContact CE1-CB 3.82Å; F489-P491 HydrophobicContact CE1-CG 3.85Å; F489-P491 HydrophobicContact CZ-CB 4.18Å; P491-V493 VanDerWaalsContact C-N 3.35Å; P491-V493 PolarHBondContact O-N 3Å
492K51.9Low47.5Very low213 Ų213127.8 Ų127.893%0.92678%0.782SS**  trans-72.584.5180-69.4-178.3180176.10111.3Q490 G494Q490-K492 PolarHBondContact O-N 2.82Å; K492-G494 PolarHBondContact O-N 3.04Å; K492-G494 VanDerWaalsContact O-N 3.11Å
493V54.2Low46.9Very low135 Ų135130.3 Ų130.382%0.81879%0.793SS**  trans-66.5104.6169.5-74.10000110.2P491 L495P491-V493 VanDerWaalsContact C-N 3.35Å; P491-V493 PolarHBondContact O-N 3Å; V493-L495 PolarHBondContact O-N 3.17Å
494G47.9Very low47.5Very low71 Ų71133.1 Ų133.173%0.73280%0.8SS**  trans-68.4120.6177.100000111.2K492 A496K492-G494 PolarHBondContact O-N 3.04Å; K492-G494 VanDerWaalsContact O-N 3.11Å; G494-A496 PolarHBondContact O-N 2.99Å
495L47.5Very low47.2Very low158 Ų158131.4 Ų131.483%0.82780%0.796SS**  trans-7387.9-178-165.981.6000111.3V493 R497V493-L495 PolarHBondContact O-N 3.17Å; L495-R497 HydrophobicContact CD2-CG 4.31Å; L495-R497 PolarHBondContact O-N 3.42Å
496A41.3Very low46.6Very low98 Ų98128.2 Ų128.281%0.8180%0.798SS**  trans-68.885.1177.700000111.8G494 A498G494-A496 PolarHBondContact O-N 2.99Å; A496-A498 PolarHBondContact O-N 3.06Å; A496-A498 VanDerWaalsContact O-N 3.15Å
497R45.2Very low46.1Very low220 Ų220132.5 Ų132.583%0.8382%0.815SS**  trans-66.3110.9172.1-62.3-176.289.3-169.38.3109.6L495 A499L495-R497 HydrophobicContact CD2-CG 4.31Å; L495-R497 PolarHBondContact O-N 3.42Å; R497-A499 PolarHBondContact O-N 2.99Å
498A40.1Very low45Very low106 Ų106128.4 Ų128.488%0.87681%0.812SS**  trans-68.492.8171.400000110.4A496 G500A496-A498 PolarHBondContact O-N 3.06Å; A496-A498 VanDerWaalsContact O-N 3.15Å; A498-G500 PolarHBondContact O-N 3.42Å; A498-G500 VanDerWaalsContact O-N 3.14Å
499A40.3Very low44.3Very low100 Ų100131.5 Ų131.583%0.82682%0.815SS**  trans-76.595.5178.100000111R497 G501R497-A499 PolarHBondContact O-N 2.99Å; A499-G501 PolarHBondContact O-N 3.41Å
500G38.6Very low44Very low80 Ų80129.6 Ų129.683%0.82582%0.816SS**  trans-75.1104.8175.300000112.9A498A498-G500 PolarHBondContact O-N 3.42Å; A498-G500 VanDerWaalsContact O-N 3.14Å
501G44.3Very low43.3Very low84 Ų84127.9 Ų127.987%0.86681%0.808SS**  trans70.790.7154.400000118A499A499-G501 PolarHBondContact O-N 3.41Å
502G32.7Very low42.4Very low79 Ų79129.8 Ų129.881%0.81482%0.822SS**  trans-155.9140.4164.700000111.1
503Q41.3Very low41.7Very low197 Ų197128.5 Ų128.592%0.92181%0.811SS**  trans-83.3159.7-175.8-91.4-172.9-66.700113.6
504P53.7Low41.3Very low122 Ų122128.5 Ų128.579%0.79281%0.807SS**  trans-93.5150.8-159.936-36.8000115.2
505A37.4Very low41Very low104 Ų104133.4 Ų133.486%0.8682%0.815SS**  trans-161.5148.8158.600000111.1
506G38.1Very low40.8Very low76 Ų76135.1 Ų135.178%0.78482%0.819SS**  trans96.5109161.300000116.2
507D40.6Very low41Very low171 Ų171138.1 Ų138.191%0.91482%0.821SS**  trans-67144175.9-52.6-75000113.5
508S36.7Very low40.8Very low113 Ų113135.8 Ų135.879%0.7982%0.819SS**  trans-152.5137147.1-1690000110.6
509Y42.5Very low41.3Very low219 Ų219139 Ų13986%0.85981%0.813SS**  trans-107.794-168.8-169.8-86000110.4
510T40.9Very low41.8Very low123 Ų123139.7 Ų139.776%0.75581%0.809SS**  trans-115.7104.2173.2430000111.5C512T510-C512 PolarHBondContact O-N 2.96Å
511H40.1Very low42.3Very low137 Ų137142.3 Ų142.363%0.63481%0.81SS**  trans-76.5110.4174.5175.378.3000110.5
512C35.4Very low42.1Very low119 Ų119147 Ų14780%0.80481%0.806SS**  trans-118.4116.6165.9-67.60000109.3T510T510-C512 PolarHBondContact O-N 2.96Å
513R37.8Very low42.6Very low186 Ų186149.9 Ų149.970%0.70280%0.802SS**  trans-81153.7170.6-100.7-179.9-178176.51.1111
514D44.2Very low42.5Very low136 Ų136147.5 Ų147.573%0.72779%0.79SS**  trans46.784.4144.3-46.7-29.7000116.8
515L42.9Very low42.2Very low173 Ų173148.8 Ų148.891%0.90679%0.787SS**  trans-116.5119150-73.2176.7000108.3L517L515-L517 PolarHBondContact O-N 2.86Å
516E43.4Very low42.8Very low195 Ų195148.9 Ų148.991%0.91178%0.779SS**  trans-71.2116.7-173.1-63.7178.4116.200111.2H518E516-H518 PolarHBondContact O-N 3.31Å
517L45.4Very low42.7Very low160 Ų160148.9 Ų148.984%0.83878%0.779SS**  trans-68.9100.6169.3-71.6173.2000109.1L515 K519L515-L517 PolarHBondContact O-N 2.86Å; L517-K519 PolarHBondContact O-N 2.89Å
518H39.9Very low42.9Very low172 Ų172150.6 Ų150.680%0.79678%0.779SS**  trans-61.5103.8174.6-163.3-51.7000109.6E516E516-H518 PolarHBondContact O-N 3.31Å
519K50.7Low42.9Very low173 Ų173148.2 Ų148.275%0.75277%0.772SS**  trans-68.3144.9179.3-62.9175.4-175.4171.80109.5L517 T521L517-K519 PolarHBondContact O-N 2.89Å; K519-T521 PolarHBondContact O-N 2.76Å
520P50.3Low42.6Very low114 Ų114143.4 Ų143.474%0.7477%0.77SS**  trans-62.6129.5167.1-20.733.1000110.1F522P520-F522 PolarHBondContact O-N 2.74Å
521T49.2Very low42.4Very low136 Ų136146.9 Ų146.983%0.83478%0.777SS**SBendtrans-7610.7-173.5-25.60000114.1K519K519-T521 PolarHBondContact O-N 2.76Å
522F41.5Very low42.1Very low182 Ų182145.3 Ų145.380%0.79878%0.782SS**  trans-112.386.3-176.3-156.8-92.9000111.7P520 H524P520-F522 PolarHBondContact O-N 2.74Å; F522-H524 PolarHBondContact O-N 2.97Å
523I42.1Very low42.3Very low140 Ų140145.5 Ų145.572%0.71878%0.779SS**  trans-85.8102.2170.7-60.5173.8000107.9M525I523-M525 HydrophobicContact CG2-SD 4.07Å; I523-M525 PolarHBondContact O-N 2.99Å
524H39.9Very low42.2Very low146 Ų146144.9 Ų144.968%0.67679%0.785SS**  trans-66100.3167.4174.5-76.8000109.2F522 P526F522-H524 PolarHBondContact O-N 2.97Å; H524-P526 VanDerWaalsContact O-CD 3.24Å; H524-P526 WeakPolarHBondContact O-CD 3.42Å
525M46.9Very low41.5Very low150 Ų150142 Ų14274%0.73979%0.787SS**  trans-68.5113.1175.7-68.5-68.8-72.200109.7I523 G527I523-M525 HydrophobicContact CG2-SD 4.07Å; I523-M525 PolarHBondContact O-N 2.99Å; M525-G527 PolarHBondContact O-N 2.98Å
526P50.3Low41.1Very low105 Ų105143.1 Ų143.168%0.68279%0.788SS**  trans-64.3125173.527.5-33.1000109.2H524 K528H524-P526 VanDerWaalsContact O-CD 3.24Å; H524-P526 WeakPolarHBondContact O-CD 3.42Å; P526-K528 PolarHBondContact O-N 3.28Å
527G36.4Very low40.5Very low76 Ų76136.9 Ų136.978%0.78478%0.776SS**  trans-56.4130.7179.100000111.2M525 G529M525-G527 PolarHBondContact O-N 2.98Å; G527-G529 PolarHBondContact O-N 3.07Å; G527-G529 VanDerWaalsContact O-N 3.13Å
528K43.7Very low40Very low208 Ų208138.7 Ų138.790%0.90478%0.78SS**  trans-63.2114.6-179.7-69.7177.9178.6175.70110P526 S530P526-K528 PolarHBondContact O-N 3.28Å; K528-S530 PolarHBondContact O-N 3.25Å
529G38.4Very low39.6Very low63 Ų63134.6 Ų134.665%0.64978%0.776SS**  trans-60.2121.6169.400000110.8G527 H531G527-G529 PolarHBondContact O-N 3.07Å; G527-G529 VanDerWaalsContact O-N 3.13Å; G529-H531 PolarHBondContact O-N 3.23Å
530S36.2Very low39Very low118 Ų118135.4 Ų135.483%0.82578%0.782SS**  trans-81104.6-178.9540000111.6K528K528-S530 PolarHBondContact O-N 3.25Å
531H36.3Very low39Very low195 Ų195135.4 Ų135.490%0.90378%0.782SS**  trans-91.497.5171.8-77.7-81.4000112G529G529-H531 PolarHBondContact O-N 3.23Å
532S34.2Very low38.3Very low105 Ų105133.7 Ų133.773%0.73478%0.782SS**  trans-177.4145.7153.2-153.90000107.8
533T38.4Very low38Very low122 Ų122132.3 Ų132.375%0.74878%0.783SS**  cis-119.5144.97.844.80000109.8
534Q34.9Very low37.8Very low174 Ų174130.8 Ų130.881%0.81379%0.785SS**  58.596.769.5-167.5167.8-3.700115
535G31Very low37.4Very low76 Ų76127.4 Ų127.478%0.78479%0.79SS**  trans-137.1154.1162.300000109.5
536Q35Very low36.9Very low195 Ų195126.6 Ų126.691%0.91180%0.797SS**  trans-112163.9-163.9-61.6175.3-86.700114.4
537G30.8Very low36.2Very low64 Ų64129.5 Ų129.566%0.6681%0.805SS**  trans118.2105.6176.300000111
538E33.4Very low36.2Very low199 Ų199137.2 Ų137.293%0.9381%0.811SS**  64.5125.463.3-61.7-163.1135.900113.7
539A33.1Very low36.3Very low86 Ų86132.2 Ų132.271%0.71180%0.8SS**  cis-162.1152.1-5.200000114.8
540Q37.5Very low36.2Very low189 Ų189138 Ų13888%0.88381%0.81SS**  trans68.6159.9145.2-68.9-102.9-13.500120.6
541P49.9Very low36.5Very low114 Ų114141.1 Ų141.174%0.7481%0.811SS**  trans-131.9172.8-148.244.4-29.9000117.6
542A35Very low36.8Very low101 Ų101139.9 Ų139.984%0.83581%0.81SS**  trans-169.3160.4154.200000109.2
543D35.5Very low36.9Very low153 Ų153140.4 Ų140.482%0.81881%0.812SS**  cis-157.8174.5-37.2-169.24.8000107.1
544S36.8Very low37Very low108 Ų108140.7 Ų140.776%0.75582%0.82SS**  trans-48.3153.4179.855.80000117.6
545G30.9Very low37.5Very low75 Ų75138.5 Ų138.577%0.77382%0.818SS**  trans-177.144.6-17900000116.8
546C36.4Very low37.9Very low133 Ų133141.6 Ų141.690%0.89982%0.822SS**  trans-84.9113.6179.5-174.20000112.3
547I35.6Very low38.3Very low166 Ų166147 Ų14785%0.85183%0.834SS**  trans-135.4120.9171-56.4-177.2000112.7
548R37.6Very low38.7Very low238 Ų238151.1 Ų151.190%0.89884%0.843SS**  trans-128.8169.3147.9-107-165.9-162.9-166.17.6106
549P45.8Very low38.9Very low103 Ų103148.6 Ų148.667%0.66984%0.838SS**  cis-127.6-177.6-7.441-27.4000112.4
550Q36.1Very low39.3Very low185 Ų185152.1 Ų152.186%0.86485%0.845SS**  -167.7147.4122.6-105.416445.700111.6
551Q42.7Very low39.4Very low183 Ų183149.9 Ų149.986%0.85584%0.843SS**  trans-94.3150.9158.5-73.4-178.9-28.200108.4
552L41.8Very low38.7Very low169 Ų169152.1 Ų152.189%0.88585%0.849SS**  trans-160.3140140.9-110.2166.2000109.5
553C36.4Very low38.9Very low115 Ų115155.5 Ų155.578%0.77785%0.85SS**  trans-85.8151.5179.5-57.10000111
554S40.3Very low39.2Very low129 Ų129155.7 Ų155.790%0.90285%0.853SS**  trans-134.5137.7165.2-800000110.4
555T45.1Very low39.4Very low127 Ų127159.4 Ų159.478%0.77986%0.86SS**  trans-108.2141-167.8-360000111.3
556T40.2Very low40.1Very low141 Ų141166.4 Ų166.487%0.86587%0.867SS**  trans167.1155.1143.728.20000108.9
557R42.9Very low40.4Very low308 Ų308169.5 Ų169.5100%1.16286%0.864SS**  cis-138.908.1-168.5176.5-179.2173.40111.1

Retrieved 557 of 557 residues in 108.6 ms (Link to these results)

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