A0A060X9Y0_ONCMY Loading...

Tetratricopeptide repeat domain 5

AlphaFold DB , UniProt , Accession A0A060X9Y0, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene ttc5, Length 442 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
1M36.8Very low49.2Very low243 Ų243134.3 Ų134.3100%1.19776%0.755SS**  0110.50-78.4165.977.300105.9
2A39Very low51Low95 Ų95127.2 Ų127.279%0.78573%0.726SS**  trans-81114.717500000107.1V4A2-V4 HydrophobicContact CB-CG2 4.43Å; A2-V4 PolarHBondContact O-N 2.9Å
3E38.3Very low52.7Low195 Ų195124 Ų12491%0.91170%0.701SS**  trans-82.792161.1-79179.4166.700106.6
4V44.8Very low54.3Low133 Ų133126.7 Ų126.781%0.80670%0.701SS**  trans-91.194.8159.7178.30000104.7A2A2-V4 HydrophobicContact CB-CG2 4.43Å; A2-V4 PolarHBondContact O-N 2.9Å
5D46.7Very low56.4Low154 Ų154125.1 Ų125.182%0.82469%0.691SS**  trans-137.1105.6167-113.2-15.8000107.6
6K48.2Very low58.6Low193 Ų193119.7 Ų119.784%0.83966%0.661SS**  trans166.169.6151.3-93.1179.3-177.8-1690108.5
7D44.7Very low60.5Low172 Ų172113.5 Ų113.592%0.9263%0.626SS**  trans-96.996.6143.9-104-19.1000104.7
8G55.6Low62.4Low35 Ų35111.7 Ų111.736%0.36161%0.613SS.*  trans-64.4144.8165.800000108.7P10G8-P10 WeakPolarHBondContact O-CD 3.41Å; G8-P10 VanDerWaalsContact O-N 3.12Å
9D59.3Low64.2Low105 Ų105109.9 Ų109.956%0.56160%0.601SS**  trans-60.2114.3175.7-178.3-4.3000109.2A11 A12 E13D9-A11 PolarHBondContact O-N 2.88Å; D9-A11 WeakPolarHBondContact OD1-CB 3.3Å; D9-A11 PolarHBondContact OD1-N 3.44Å; D9-A12 HydrophobicContact CB-CB 4.04Å; D9-A12 PolarHBondContact O-N 3.04Å; D9-E13 PolarHBondContact O-N 3.35Å
10P62Low65.8Low88 Ų88104.8 Ų104.857%0.57157%0.573SS**Hα-helixtrans-60.2-21.1-177.4-21.432.2000113.2G8 K14G8-P10 WeakPolarHBondContact O-CD 3.41Å; G8-P10 VanDerWaalsContact O-N 3.12Å; P10-K14 WeakPolarHBondContact O-CG 3.35Å; P10-K14 PolarHBondContact O-N 3.19Å
11A66.1Low67.3Low64 Ų64103 Ų10353%0.52956%0.56SS.*Hα-helixtrans-74.7-41.8174.400000111.7D9 K14 D15D9-A11 PolarHBondContact O-N 2.88Å; D9-A11 WeakPolarHBondContact OD1-CB 3.3Å; D9-A11 PolarHBondContact OD1-N 3.44Å; A11-K14 PolarHBondContact O-N 3.1Å; A11-D15 PolarHBondContact O-N 3.05Å; A11-D15 VanDerWaalsContact O-N 3.1Å
12A70.5Confident70.2Confident49 Ų4995.8 Ų95.841%0.40552%0.523SS..Hα-helixtrans-68.4-35.4176.100000111.8D9 D15 D16D9-A12 HydrophobicContact CB-CB 4.04Å; D9-A12 PolarHBondContact O-N 3.04Å; A12-D15 PolarHBondContact O-N 3Å; A12-D16 PolarHBondContact O-N 3.48Å
13E72.5Confident73Confident86 Ų8693.5 Ų93.540%0.40250%0.498SS..Hα-helixtrans-65-39.8175.6-71.2-172.9173.100113D9 L17 Y68D9-E13 PolarHBondContact O-N 3.35Å; E13-L17 WeakPolarHBondContact O-CG 3.5Å; E13-L17 PolarHBondContact O-N 3.35Å; E13-Y68 WeakPolarHBondContact CA-OH 3.28Å; E13-Y68 HydrophobicContact CB-CE1 4.01Å; E13-Y68 HydrophobicContact CG-CE1 4.01Å
14K75.1Confident75.8Confident162 Ų16284.2 Ų84.270%0.70445%0.454SS*.Hα-helixtrans-68.1-37174.8-79.5-177.9176.4-1790112.6P10 A11 Q18P10-K14 WeakPolarHBondContact O-CG 3.35Å; P10-K14 PolarHBondContact O-N 3.19Å; A11-K14 PolarHBondContact O-N 3.1Å; K14-Q18 VanDerWaalsContact O-CB 3.29Å; K14-Q18 WeakPolarHBondContact O-CB 3.42Å; K14-Q18 PolarHBondContact O-N 3.05Å
15D86.1Confident78.3Confident103 Ų10380.7 Ų80.755%0.55143%0.431SS*.Hα-helixtrans-66.4-44.9178.1-160.245.7000111.1A11 A12 L17 Q18 I19A11-D15 PolarHBondContact O-N 3.05Å; A11-D15 VanDerWaalsContact O-N 3.1Å; A12-D15 PolarHBondContact O-N 3Å; D15-L17 PolarHBondContact O-N 2.99Å; D15-Q18 PolarHBondContact O-N 3.33Å; D15-I19 VanDerWaalsContact O-CG1 3.3Å; D15-I19 WeakPolarHBondContact O-CG1 3.5Å; D15-I19 PolarHBondContact O-N 2.78Å
16D91.4Very high80.8Confident38 Ų3879.3 Ų79.320%0.20342%0.419CS..Hα-helixtrans-57.9-49.1174.8-89.8-13.4000112.7A12 Q18 I19 L20 K64 Y68A12-D16 PolarHBondContact O-N 3.48Å; D16-Q18 VanDerWaalsContact C-N 3.32Å; D16-Q18 PolarHBondContact O-N 2.96Å; D16-I19 PolarHBondContact O-N 2.72Å; D16-L20 WeakPolarHBondContact O-CG 3.38Å; D16-L20 PolarHBondContact O-N 2.82Å; D16-K64 IonicContact OD1-NZ 3.19Å; D16-K64 PolarHBondContact OD1-NZ 3.19Å; D16-K64 IonicContact OD2-NZ 2.78Å; D16-K64 PolarHBondContact OD2-NZ 3.09Å; D16-Y68 HydrophobicContact CB-CE2 4.09Å; D16-Y68 VanDerWaalsContact CB-OH 3.28Å; D16-Y68 WeakPolarHBondContact CB-OH 3.17Å; D16-Y68 PolarHBondContact OD2-OH 3.09Å
17L92.2Very high83.2Confident15 Ų1570.3 Ų70.38%0.07938%0.38CS..Hα-helixtrans-66.9-34.9-179.2-72.4172.3000112E13 D15 L20 K21 Y68 F74E13-L17 WeakPolarHBondContact O-CG 3.5Å; E13-L17 PolarHBondContact O-N 3.35Å; D15-L17 PolarHBondContact O-N 2.99Å; L17-L20 HydrophobicContact CD2-CD1 4.46Å; L17-L20 PolarHBondContact O-N 2.65Å; L17-K21 WeakPolarHBondContact O-CB 3.39Å; L17-K21 PolarHBondContact O-N 3.3Å; L17-Y68 HydrophobicContact CD1-CD1 4.27Å; L17-Y68 HydrophobicContact CD1-CE1 4.33Å; L17-Y68 HydrophobicContact CD2-CD1 4.1Å; L17-Y68 HydrophobicContact CD2-CD2 4.42Å; L17-Y68 HydrophobicContact CD2-CE1 4.49Å; L17-Y68 HydrophobicContact CD2-CG 4.08Å; L17-Y68 HydrophobicContact CG-CD1 4.23Å; L17-Y68 HydrophobicContact CG-CE1 4.19Å; L17-F74 HydrophobicContact CD2-CB 3.97Å; L17-F74 HydrophobicContact CD2-CD2 4.37Å
18Q94.8Very high85.6Confident81 Ų8163.2 Ų63.238%0.37934%0.341SS..Hα-helixtrans-64.9-43.4174.7-178.957.539.900111.5K14 D15 D16 L20 K21 E22K14-Q18 VanDerWaalsContact O-CB 3.29Å; K14-Q18 WeakPolarHBondContact O-CB 3.42Å; K14-Q18 PolarHBondContact O-N 3.05Å; D15-Q18 PolarHBondContact O-N 3.33Å; D16-Q18 VanDerWaalsContact C-N 3.32Å; D16-Q18 PolarHBondContact O-N 2.96Å; Q18-L20 PolarHBondContact O-N 3.23Å; Q18-K21 WeakPolarHBondContact O-CB 3.45Å; Q18-K21 PolarHBondContact O-N 3.42Å; Q18-E22 PolarHBondContact NE2-OE1 3.01Å; Q18-E22 WeakPolarHBondContact O-CG 3.29Å; Q18-E22 PolarHBondContact O-N 3.41Å
19I95.6Very high87.6Confident78 Ų7866.8 Ų66.840%0.435%0.348SS..Hα-helixtrans-60.8-45.2174.5-67.4163.1000110.9D15 D16 K21 E22 L23D15-I19 VanDerWaalsContact O-CG1 3.3Å; D15-I19 WeakPolarHBondContact O-CG1 3.5Å; D15-I19 PolarHBondContact O-N 2.78Å; D16-I19 PolarHBondContact O-N 2.72Å; I19-K21 VanDerWaalsContact C-N 3.27Å; I19-K21 PolarHBondContact O-N 3.15Å; I19-E22 PolarHBondContact O-N 3.21Å; I19-L23 HydrophobicContact CG2-CD1 4.5Å; I19-L23 WeakPolarHBondContact O-CG 3.49Å; I19-L23 PolarHBondContact O-N 3.41Å; I19-L23 VanDerWaalsContact O-N 3.08Å
20L96.5Very high89.4Confident7 Ų764.1 Ų64.14%0.03733%0.332CS..Hα-helixtrans-62.7-36.5177.8-69.2174.7000112D16 L17 Q18 L23 V24 L61 K64 F74 L77D16-L20 WeakPolarHBondContact O-CG 3.38Å; D16-L20 PolarHBondContact O-N 2.82Å; L17-L20 HydrophobicContact CD2-CD1 4.46Å; L17-L20 PolarHBondContact O-N 2.65Å; Q18-L20 PolarHBondContact O-N 3.23Å; L20-L23 HydrophobicContact CD2-CD1 4.44Å; L20-L23 PolarHBondContact O-N 3.34Å; L20-V24 WeakPolarHBondContact O-CG2 3.49Å; L20-V24 PolarHBondContact O-N 3.19Å; L20-L61 HydrophobicContact CB-CD2 4.14Å; L20-L61 HydrophobicContact CD1-CD2 4.12Å; L20-L61 HydrophobicContact CD2-CD2 3.95Å; L20-L61 HydrophobicContact CD2-CG 4.3Å; L20-L61 HydrophobicContact CG-CD2 4.29Å; L20-K64 HydrophobicContact CD1-CB 4.11Å; L20-K64 HydrophobicContact CD1-CG 4.29Å; L20-F74 HydrophobicContact CD1-CD2 3.88Å; L20-F74 HydrophobicContact CD1-CE2 3.94Å; L20-L77 HydrophobicContact CB-CD1 3.88Å
21K96.8Very high91Very high67 Ų6762.7 Ų62.729%0.29132%0.315SS..Hα-helixtrans-64.5-46175.4179.6178.3177.7-179.30111.7L17 Q18 I19 L23 V24 D25 L77L17-K21 WeakPolarHBondContact O-CB 3.39Å; L17-K21 PolarHBondContact O-N 3.3Å; Q18-K21 WeakPolarHBondContact O-CB 3.45Å; Q18-K21 PolarHBondContact O-N 3.42Å; I19-K21 VanDerWaalsContact C-N 3.27Å; I19-K21 PolarHBondContact O-N 3.15Å; K21-L23 VanDerWaalsContact C-N 3.31Å; K21-L23 PolarHBondContact O-N 2.87Å; K21-V24 PolarHBondContact O-N 3.13Å; K21-V24 VanDerWaalsContact O-N 3.11Å; K21-D25 PolarHBondContact O-N 3.13Å; K21-L77 HydrophobicContact CB-CD1 4.07Å; K21-L77 HydrophobicContact CB-CD2 3.91Å; K21-L77 HydrophobicContact CG-CD2 4.05Å
22E97.6Very high92.3Very high91 Ų9163.1 Ų63.143%0.42531%0.308SS..Hα-helixtrans-58.2-43176.7-74167.5-166.400111.6Q18 I19 V24 D25 E26Q18-E22 PolarHBondContact NE2-OE1 3.01Å; Q18-E22 WeakPolarHBondContact O-CG 3.29Å; Q18-E22 PolarHBondContact O-N 3.41Å; I19-E22 PolarHBondContact O-N 3.21Å; E22-V24 VanDerWaalsContact C-N 3.32Å; E22-V24 PolarHBondContact O-N 3.32Å; E22-D25 PolarHBondContact O-N 2.82Å; E22-E26 WeakPolarHBondContact O-CB 3.46Å; E22-E26 WeakPolarHBondContact O-CG 3.32Å; E22-E26 PolarHBondContact O-N 3.07Å
23L98Very high93.5Very high48 Ų4863.3 Ų63.325%0.25130%0.3SS..Hα-helixtrans-61.4-37.7175.4-68.1172.3000113.3I19 L20 K21 L27 T57 K60I19-L23 HydrophobicContact CG2-CD1 4.5Å; I19-L23 WeakPolarHBondContact O-CG 3.49Å; I19-L23 PolarHBondContact O-N 3.41Å; I19-L23 VanDerWaalsContact O-N 3.08Å; L20-L23 HydrophobicContact CD2-CD1 4.44Å; L20-L23 PolarHBondContact O-N 3.34Å; K21-L23 VanDerWaalsContact C-N 3.31Å; K21-L23 PolarHBondContact O-N 2.87Å; L23-L27 PolarHBondContact O-N 3.46Å; L23-L27 VanDerWaalsContact O-N 3.14Å; L23-T57 HydrophobicContact CB-CG2 4.04Å; L23-K60 HydrophobicContact CD1-CB 3.89Å; L23-K60 HydrophobicContact CD1-CG 4.16Å
24V97.9Very high94.6Very high0 Ų059.2 Ų59.20%028%0.281CS..Hα-helixtrans-73.8-37176.3175.40000111.1L20 K21 E22 L27 Y28 T57 L61 L77 R80 C81L20-V24 WeakPolarHBondContact O-CG2 3.49Å; L20-V24 PolarHBondContact O-N 3.19Å; K21-V24 PolarHBondContact O-N 3.13Å; K21-V24 VanDerWaalsContact O-N 3.11Å; E22-V24 VanDerWaalsContact C-N 3.32Å; E22-V24 PolarHBondContact O-N 3.32Å; V24-L27 WeakPolarHBondContact O-CB 3.34Å; V24-L27 PolarHBondContact O-N 2.81Å; V24-Y28 HydrophobicContact CG1-CD2 4.29Å; V24-Y28 HydrophobicContact CG1-CE2 4.3Å; V24-Y28 WeakPolarHBondContact O-CD2 3.44Å; V24-Y28 PolarHBondContact O-N 3.36Å; V24-T57 HydrophobicContact CG2-CG2 3.93Å; V24-L61 HydrophobicContact CG2-CD1 4.25Å; V24-L77 HydrophobicContact CB-CD2 4.36Å; V24-L77 HydrophobicContact CG2-CB 4.36Å; V24-L77 HydrophobicContact CG2-CD2 4.44Å; V24-R80 HydrophobicContact CG1-CB 4.07Å; V24-R80 HydrophobicContact CG1-CG 3.69Å; V24-C81 HydrophobicContact CG2-CB 4.09Å
25D97.7Very high95.6Very high59 Ų5952.9 Ų52.932%0.31625%0.254SS..Hα-helixtrans-65.1-41.9174.5-74.2-24.5000111.2K21 E22 L27 Y28 H29 R80K21-D25 PolarHBondContact O-N 3.13Å; E22-D25 PolarHBondContact O-N 2.82Å; D25-L27 VanDerWaalsContact C-N 3.34Å; D25-L27 PolarHBondContact O-N 3.27Å; D25-Y28 PolarHBondContact O-N 3.33Å; D25-H29 WeakPolarHBondContact O-CB 3.41Å; D25-H29 PolarHBondContact O-N 3.49Å; D25-R80 IonicContact OD1-CZ 3.5Å; D25-R80 IonicContact OD1-NH1 3.55Å; D25-R80 PolarHBondContact OD1-NH1 2.65Å; D25-R80 IonicContact OD1-NH2 3.94Å; D25-R80 PolarHBondContact OD1-NH2 3.5Å
26E97.9Very high96Very high124 Ų12453.5 Ų53.558%0.57925%0.253SS*.Hα-helixtrans-61.2-39.2173.9-76.2178.9174.800112.5E22 H29 F30E22-E26 WeakPolarHBondContact O-CB 3.46Å; E22-E26 WeakPolarHBondContact O-CG 3.32Å; E22-E26 PolarHBondContact O-N 3.07Å; E26-H29 PolarHBondContact O-N 3.4Å; E26-F30 WeakPolarHBondContact O-CB 3.39Å; E26-F30 PolarHBondContact O-N 3.08Å
27L98.1Very high96.1Very high4 Ų456.9 Ų56.92%0.02128%0.276CS..Hα-helixtrans-61.1-44.9174.9170.862.6000112L23 V24 D25 F30 R31 E53 M54 C81 V84L23-L27 PolarHBondContact O-N 3.46Å; L23-L27 VanDerWaalsContact O-N 3.14Å; V24-L27 WeakPolarHBondContact O-CB 3.34Å; V24-L27 PolarHBondContact O-N 2.81Å; D25-L27 VanDerWaalsContact C-N 3.34Å; D25-L27 PolarHBondContact O-N 3.27Å; L27-F30 PolarHBondContact O-N 3.21Å; L27-R31 PolarHBondContact O-N 3.29Å; L27-R31 VanDerWaalsContact O-N 3.09Å; L27-E53 HydrophobicContact CD1-CB 3.76Å; L27-M54 HydrophobicContact CD1-CB 4.3Å; L27-M54 HydrophobicContact CD2-CB 4.29Å; L27-M54 HydrophobicContact CD2-CG 4.44Å; L27-C81 HydrophobicContact CD2-CB 4.49Å; L27-V84 HydrophobicContact CD1-CG2 4.4Å; L27-V84 HydrophobicContact CD2-CB 4.27Å; L27-V84 HydrophobicContact CD2-CG1 4.11Å; L27-V84 HydrophobicContact CD2-CG2 4.43Å; L27-V84 HydrophobicContact CG-CB 4.48Å; L27-V84 HydrophobicContact CG-CG1 4.48Å; L27-V84 HydrophobicContact CG-CG2 4.09Å
28Y96.6Very high96.3Very high23 Ų2358.8 Ų58.89%0.0928%0.284CS..Hα-helixtrans-69.5-40.6176.4-85.6-107.7000111.3V24 D25 F30 R31 D32 R80 V84V24-Y28 HydrophobicContact CG1-CD2 4.29Å; V24-Y28 HydrophobicContact CG1-CE2 4.3Å; V24-Y28 WeakPolarHBondContact O-CD2 3.44Å; V24-Y28 PolarHBondContact O-N 3.36Å; D25-Y28 PolarHBondContact O-N 3.33Å; Y28-F30 VanDerWaalsContact C-N 3.31Å; Y28-F30 PolarHBondContact O-N 3.37Å; Y28-R31 PolarHBondContact O-N 2.82Å; Y28-D32 WeakPolarHBondContact O-CB 3.33Å; Y28-D32 PolarHBondContact O-N 2.84Å; Y28-R80 HydrophobicContact CD2-CG 4.35Å; Y28-R80 HydrophobicContact CE2-CG 3.51Å; Y28-R80 WeakPolarHBondContact CE2-O 3.39Å; Y28-R80 PolarHBondContact OH-O 2.91Å; Y28-V84 HydrophobicContact CD2-CG2 4.34Å; Y28-V84 HydrophobicContact CE2-CB 4.04Å; Y28-V84 HydrophobicContact CE2-CG2 4.1Å
29H96.5Very high96.3Very high111 Ų11157.3 Ų57.351%0.51428%0.283SS..Hα-helixtrans-57.3-45.3173.8-176.8-79.2000111.2D25 E26 R31 D32 H33D25-H29 WeakPolarHBondContact O-CB 3.41Å; D25-H29 PolarHBondContact O-N 3.49Å; E26-H29 PolarHBondContact O-N 3.4Å; H29-R31 PolarHBondContact O-N 3.4Å; H29-D32 PolarHBondContact O-N 3.11Å; H29-H33 AromaticContact CD2-CE1 3.9Å; H29-H33 AromaticContact CD2-ND1 3.76Å; H29-H33 AromaticContact CG-ND1 3.96Å; H29-H33 AromaticContact NE2-ND1 3.94Å; H29-H33 VanDerWaalsContact O-CB 3.32Å; H29-H33 WeakPolarHBondContact O-CB 3.4Å; H29-H33 PolarHBondContact O-N 3.38Å; H29-H33 PolarHBondContact O-ND1 3.22Å; H29-H33 VanDerWaalsContact O-ND1 3.14Å
30F96.9Very high96.3Very high49 Ų4955.8 Ų55.822%0.21528%0.277CS..Hα-helixtrans-58.7-45.5175.2176.6-96.4000112.3E26 L27 Y28 Y34 H38 D49 V50 E53E26-F30 WeakPolarHBondContact O-CB 3.39Å; E26-F30 PolarHBondContact O-N 3.08Å; L27-F30 PolarHBondContact O-N 3.21Å; Y28-F30 VanDerWaalsContact C-N 3.31Å; Y28-F30 PolarHBondContact O-N 3.37Å; F30-Y34 AromaticContact CE1-CD2 3.95Å; F30-Y34 HydrophobicContact CE1-CD2 3.95Å; F30-Y34 HydrophobicContact CE1-CE2 4.14Å; F30-Y34 HydrophobicContact CE2-CD2 4.39Å; F30-Y34 AromaticContact CZ-CD2 3.83Å; F30-Y34 HydrophobicContact CZ-CD2 3.83Å; F30-Y34 AromaticContact CZ-CE2 3.78Å; F30-Y34 HydrophobicContact CZ-CE2 3.78Å; F30-Y34 VanDerWaalsContact O-CA 3.27Å; F30-Y34 WeakPolarHBondContact O-CA 3.46Å; F30-Y34 WeakPolarHBondContact O-CB 3.16Å; F30-Y34 PolarHBondContact O-N 2.94Å; F30-Y34 VanDerWaalsContact O-N 3.09Å; F30-H38 AromaticContact CE2-CE1 3.83Å; F30-D49 HydrophobicContact CE1-CB 4.16Å; F30-D49 HydrophobicContact CZ-CB 4.05Å; F30-V50 HydrophobicContact CD1-CG2 4.12Å; F30-V50 HydrophobicContact CE1-CG2 4Å; F30-E53 HydrophobicContact CD1-CB 4.33Å; F30-E53 HydrophobicContact CD1-CG 3.92Å; F30-E53 HydrophobicContact CE1-CB 4.49Å; F30-E53 HydrophobicContact CE1-CG 3.8Å; F30-E53 HydrophobicContact CE2-CG 4.48Å; F30-E53 HydrophobicContact CG-CG 4.33Å; F30-E53 HydrophobicContact CZ-CG 4.09Å
31R95.4Very high96.2Very high58 Ų5863.1 Ų63.122%0.21931%0.311CS..Hα-helixtrans-64.3-47.9177.6-177.8-162.667.2-179.12.9112.2L27 Y28 H29 K46 V50 V84L27-R31 PolarHBondContact O-N 3.29Å; L27-R31 VanDerWaalsContact O-N 3.09Å; Y28-R31 PolarHBondContact O-N 2.82Å; H29-R31 PolarHBondContact O-N 3.4Å; R31-K46 WeakPolarHBondContact O-CE 3.33Å; R31-K46 PolarHBondContact O-NZ 2.98Å; R31-V50 HydrophobicContact CB-CG1 4.39Å; R31-V50 HydrophobicContact CB-CG2 4.02Å; R31-V50 HydrophobicContact CG-CG1 4.31Å; R31-V50 HydrophobicContact CG-CG2 4.02Å; R31-V84 HydrophobicContact CB-CG2 4.39Å
32D93.6Very high96.1Very high73 Ų7361.4 Ų61.439%0.3931%0.305SS..Hα-helixtrans-75.6-34.1-170.8-64.7-14.3000111.3Y28 H29Y28-D32 WeakPolarHBondContact O-CB 3.33Å; Y28-D32 PolarHBondContact O-N 2.84Å; H29-D32 PolarHBondContact O-N 3.11Å
33H95.3Very high96Very high52 Ų5257.4 Ų57.424%0.24129%0.288CS..THydrogen-bonded Turntrans-105.520.6-179.7-54.972.1000112.4H29 F35 E36 T221H29-H33 AromaticContact CD2-CE1 3.9Å; H29-H33 AromaticContact CD2-ND1 3.76Å; H29-H33 AromaticContact CG-ND1 3.96Å; H29-H33 AromaticContact NE2-ND1 3.94Å; H29-H33 VanDerWaalsContact O-CB 3.32Å; H29-H33 WeakPolarHBondContact O-CB 3.4Å; H29-H33 PolarHBondContact O-N 3.38Å; H29-H33 PolarHBondContact O-ND1 3.22Å; H29-H33 VanDerWaalsContact O-ND1 3.14Å; H33-F35 PolarHBondContact O-N 3.04Å; H33-F35 VanDerWaalsContact O-N 3.16Å; H33-E36 HydrophobicContact CB-CB 4.43Å; H33-E36 HydrophobicContact CB-CG 4.09Å; H33-E36 IonicContact CD2-OE1 3.34Å; H33-E36 IonicContact CD2-OE2 3.62Å; H33-E36 PolarHBondContact CD2-OE2 3.07Å; H33-E36 IonicContact CG-OE2 2.65Å; H33-E36 WeakPolarHBondContact O-CB 3.44Å; H33-E36 PolarHBondContact O-N 3.48Å; H33-T221 VanDerWaalsContact CD2-CG2 3.45Å; H33-T221 WeakPolarHBondContact CD2-CG2 3.42Å; H33-T221 WeakPolarHBondContact NE2-CG2 3.35Å
34Y96.3Very high95.9Very high0 Ų058 Ų580%031%0.305CS..Hα-helixtrans-51.6-43.8-176.6-173.8-96.6000112.2F30 E36 T37 H38 D42 K46 D49F30-Y34 AromaticContact CE1-CD2 3.95Å; F30-Y34 HydrophobicContact CE1-CD2 3.95Å; F30-Y34 HydrophobicContact CE1-CE2 4.14Å; F30-Y34 HydrophobicContact CE2-CD2 4.39Å; F30-Y34 AromaticContact CZ-CD2 3.83Å; F30-Y34 HydrophobicContact CZ-CD2 3.83Å; F30-Y34 AromaticContact CZ-CE2 3.78Å; F30-Y34 HydrophobicContact CZ-CE2 3.78Å; F30-Y34 VanDerWaalsContact O-CA 3.27Å; F30-Y34 WeakPolarHBondContact O-CA 3.46Å; F30-Y34 WeakPolarHBondContact O-CB 3.16Å; F30-Y34 PolarHBondContact O-N 2.94Å; F30-Y34 VanDerWaalsContact O-N 3.09Å; Y34-E36 VanDerWaalsContact C-N 3.28Å; Y34-E36 PolarHBondContact O-N 3.48Å; Y34-T37 PolarHBondContact O-N 3.18Å; Y34-T37 PolarHBondContact O-OG1 3.18Å; Y34-H38 HydrophobicContact CD1-CB 3.96Å; Y34-H38 AromaticContact CD2-ND1 3.8Å; Y34-H38 HydrophobicContact CE1-CB 3.63Å; Y34-H38 AromaticContact CE1-CG 3.83Å; Y34-H38 AromaticContact CE2-CE1 3.87Å; Y34-H38 AromaticContact CE2-CG 3.86Å; Y34-H38 AromaticContact CE2-ND1 3.75Å; Y34-H38 AromaticContact CZ-CD2 3.79Å; Y34-H38 AromaticContact CZ-CG 3.63Å; Y34-H38 WeakPolarHBondContact O-CB 3.43Å; Y34-H38 PolarHBondContact O-N 2.69Å; Y34-H38 PolarHBondContact O-ND1 3.4Å; Y34-D42 HydrophobicContact CE1-CB 4.43Å; Y34-K46 HydrophobicContact CD1-CB 3.85Å; Y34-K46 HydrophobicContact CD1-CD 3.88Å; Y34-K46 HydrophobicContact CD1-CG 3.71Å; Y34-K46 HydrophobicContact CD2-CG 4.06Å; Y34-K46 HydrophobicContact CE1-CB 3.63Å; Y34-K46 HydrophobicContact CE1-CG 4Å; Y34-K46 HydrophobicContact CE2-CB 4.38Å; Y34-K46 HydrophobicContact CE2-CG 4.33Å; Y34-K46 HydrophobicContact CG-CB 4.32Å; Y34-K46 HydrophobicContact CG-CD 4.02Å; Y34-K46 HydrophobicContact CG-CG 3.74Å; Y34-D49 HydrophobicContact CE2-CB 3.94Å; Y34-D49 PolarHBondContact OH-OD2 3.31Å
35F95.8Very high95.8Very high30 Ų3064.2 Ų64.213%0.13233%0.329CS..Hα-helixtrans-79.8-0.1-178.7-64.2-67.8000115.1H33 H38 A43 K46 L255H33-F35 PolarHBondContact O-N 3.04Å; H33-F35 VanDerWaalsContact O-N 3.16Å; F35-H38 CarbonylContact C-O 3.47Å; F35-H38 WeakPolarHBondContact CA-O 3.48Å; F35-A43 HydrophobicContact CE1-CB 3.74Å; F35-A43 HydrophobicContact CZ-CB 3.8Å; F35-K46 HydrophobicContact CE2-CD 4.02Å; F35-K46 HydrophobicContact CZ-CD 4.2Å; F35-L255 HydrophobicContact CD2-CD2 4.22Å; F35-L255 HydrophobicContact CE1-CD2 4.46Å; F35-L255 HydrophobicContact CE2-CD2 3.98Å; F35-L255 HydrophobicContact CZ-CD2 4.12Å; F35-L255 WeakPolarHBondContact CZ-O 3.34Å
36E94.2Very high95.7Very high115 Ų11563.3 Ų63.354%0.53732%0.322SS..Hα-helixtrans-82.9-24.5168.4-58.6-166.4157.700111.7H33 Y34H33-E36 HydrophobicContact CB-CB 4.43Å; H33-E36 HydrophobicContact CB-CG 4.09Å; H33-E36 IonicContact CD2-OE1 3.34Å; H33-E36 IonicContact CD2-OE2 3.62Å; H33-E36 PolarHBondContact CD2-OE2 3.07Å; H33-E36 IonicContact CG-OE2 2.65Å; H33-E36 WeakPolarHBondContact O-CB 3.44Å; H33-E36 PolarHBondContact O-N 3.48Å; Y34-E36 VanDerWaalsContact C-N 3.28Å; Y34-E36 PolarHBondContact O-N 3.48Å
37T94.1Very high95.5Very high110 Ų11061.8 Ų61.868%0.67532%0.315SS*.Hα-helixtrans-113.4-19.8-177.653.20000113.1Y34Y34-T37 PolarHBondContact O-N 3.18Å; Y34-T37 PolarHBondContact O-OG1 3.18Å
38H96.2Very high95.4Very high54 Ų5464.4 Ų64.425%0.2533%0.333CS..SBendtrans-118.8151.2178.1-57.674.8000110.5F30 Y34 F35 D42F30-H38 AromaticContact CE2-CE1 3.83Å; Y34-H38 HydrophobicContact CD1-CB 3.96Å; Y34-H38 AromaticContact CD2-ND1 3.8Å; Y34-H38 HydrophobicContact CE1-CB 3.63Å; Y34-H38 AromaticContact CE1-CG 3.83Å; Y34-H38 AromaticContact CE2-CE1 3.87Å; Y34-H38 AromaticContact CE2-CG 3.86Å; Y34-H38 AromaticContact CE2-ND1 3.75Å; Y34-H38 AromaticContact CZ-CD2 3.79Å; Y34-H38 AromaticContact CZ-CG 3.63Å; Y34-H38 WeakPolarHBondContact O-CB 3.43Å; Y34-H38 PolarHBondContact O-N 2.69Å; Y34-H38 PolarHBondContact O-ND1 3.4Å; F35-H38 CarbonylContact C-O 3.47Å; F35-H38 WeakPolarHBondContact CA-O 3.48Å; H38-D42 HydrophobicContact CB-CB 4.06Å
39S95.6Very high95.4Very high51 Ų5164.6 Ų64.636%0.35734%0.336SS..  trans-79.4166.6179.369.80000111.3E41 D42S39-E41 WeakPolarHBondContact CB-OE2 3.47Å; S39-E41 PolarHBondContact O-N 3.19Å; S39-E41 PolarHBondContact OG-OE2 2.64Å; S39-D42 PolarHBondContact N-OD2 3.42Å; S39-D42 WeakPolarHBondContact O-CB 3.29Å; S39-D42 PolarHBondContact O-N 2.96Å; S39-D42 VanDerWaalsContact OG-CG 3.29Å; S39-D42 PolarHBondContact OG-OD2 3.38Å
40V94.8Very high95.4Very high45 Ų4559.5 Ų59.527%0.27331%0.312SS..G310 helixtrans-67.7-27.2178.1178.40000110.5D42 A43 A254V40-D42 PolarHBondContact O-N 3.14Å; V40-A43 WeakPolarHBondContact O-CB 3.45Å; V40-A43 PolarHBondContact O-N 3.2Å; V40-A254 HydrophobicContact CG1-CB 3.85Å; V40-A254 WeakPolarHBondContact CG1-O 3.3Å
41E94.7Very high95.4Very high162 Ų16259.2 Ų59.276%0.75732%0.319SS*.G310 helixtrans-60.4-22.7173-63.674.2-169.100112.2S39S39-E41 WeakPolarHBondContact CB-OE2 3.47Å; S39-E41 PolarHBondContact O-N 3.19Å; S39-E41 PolarHBondContact OG-OE2 2.64Å
42D95.7Very high95.5Very high31 Ų3161.7 Ų61.717%0.16633%0.333CS..G310 helixtrans-88.6-2.8178-55.1-48.2000113.3Y34 H38 S39 V40 G44 R45 K46Y34-D42 HydrophobicContact CE1-CB 4.43Å; H38-D42 HydrophobicContact CB-CB 4.06Å; S39-D42 PolarHBondContact N-OD2 3.42Å; S39-D42 WeakPolarHBondContact O-CB 3.29Å; S39-D42 PolarHBondContact O-N 2.96Å; S39-D42 VanDerWaalsContact OG-CG 3.29Å; S39-D42 PolarHBondContact OG-OD2 3.38Å; V40-D42 PolarHBondContact O-N 3.14Å; D42-G44 PolarHBondContact O-N 2.96Å; D42-G44 VanDerWaalsContact O-N 3.11Å; D42-R45 WeakPolarHBondContact O-CB 3.43Å; D42-R45 PolarHBondContact O-N 3.3Å; D42-R45 IonicContact OD1-CZ 2.65Å; D42-R45 IonicContact OD1-NE 3.41Å; D42-R45 IonicContact OD1-NH2 3.81Å; D42-R45 PolarHBondContact OD1-NH2 2.99Å; D42-K46 PolarHBondContact O-N 2.6Å
43A95.2Very high95.7Very high7 Ų761 Ų616%0.05833%0.328CS..G310 helixtrans-53.5-37.8-174.900000113.5F35 V40 R45 K46 A254 P257F35-A43 HydrophobicContact CE1-CB 3.74Å; F35-A43 HydrophobicContact CZ-CB 3.8Å; V40-A43 WeakPolarHBondContact O-CB 3.45Å; V40-A43 PolarHBondContact O-N 3.2Å; A43-R45 PolarHBondContact O-N 2.89Å; A43-K46 WeakPolarHBondContact O-CB 3.26Å; A43-K46 PolarHBondContact O-N 3.14Å; A43-K46 VanDerWaalsContact O-N 3.16Å; A43-A254 WeakPolarHBondContact CB-O 3.46Å; A43-P257 HydrophobicContact CB-CG 3.85Å
44G94.4Very high95.8Very high60 Ų6060 Ų6062%0.61932%0.323SS*.G310 helixtrans-65.1-16177.300000114.7D42D42-G44 PolarHBondContact O-N 2.96Å; D42-G44 VanDerWaalsContact O-N 3.11Å
45R96.1Very high95.8Very high131 Ų13164.1 Ų64.149%0.49434%0.343SS..G310 helixtrans-97.3-12.7177.1-59.5-168.9-73.6159.7-5.8113.3D42 A43 Q47 S48 D49D42-R45 WeakPolarHBondContact O-CB 3.43Å; D42-R45 PolarHBondContact O-N 3.3Å; D42-R45 IonicContact OD1-CZ 2.65Å; D42-R45 IonicContact OD1-NE 3.41Å; D42-R45 IonicContact OD1-NH2 3.81Å; D42-R45 PolarHBondContact OD1-NH2 2.99Å; A43-R45 PolarHBondContact O-N 2.89Å; R45-Q47 VanDerWaalsContact C-N 3.34Å; R45-Q47 PolarHBondContact O-N 3.41Å; R45-S48 PolarHBondContact O-N 2.85Å; R45-S48 VanDerWaalsContact O-N 3.08Å; R45-S48 PolarHBondContact O-OG 3.44Å; R45-D49 VanDerWaalsContact O-CG 3.27Å; R45-D49 PolarHBondContact O-N 3.11Å
46K95.6Very high95.9Very high39 Ų3968 Ų6817%0.1736%0.359CS..Hα-helixtrans-50.5-51.1-175.7-178.4176.2179.9-179.80112.6R31 Y34 F35 D42 A43 S48 D49 V50R31-K46 WeakPolarHBondContact O-CE 3.33Å; R31-K46 PolarHBondContact O-NZ 2.98Å; Y34-K46 HydrophobicContact CD1-CB 3.85Å; Y34-K46 HydrophobicContact CD1-CD 3.88Å; Y34-K46 HydrophobicContact CD1-CG 3.71Å; Y34-K46 HydrophobicContact CD2-CG 4.06Å; Y34-K46 HydrophobicContact CE1-CB 3.63Å; Y34-K46 HydrophobicContact CE1-CG 4Å; Y34-K46 HydrophobicContact CE2-CB 4.38Å; Y34-K46 HydrophobicContact CE2-CG 4.33Å; Y34-K46 HydrophobicContact CG-CB 4.32Å; Y34-K46 HydrophobicContact CG-CD 4.02Å; Y34-K46 HydrophobicContact CG-CG 3.74Å; F35-K46 HydrophobicContact CE2-CD 4.02Å; F35-K46 HydrophobicContact CZ-CD 4.2Å; D42-K46 PolarHBondContact O-N 2.6Å; A43-K46 WeakPolarHBondContact O-CB 3.26Å; A43-K46 PolarHBondContact O-N 3.14Å; A43-K46 VanDerWaalsContact O-N 3.16Å; K46-S48 PolarHBondContact O-N 3.29Å; K46-D49 PolarHBondContact O-N 2.82Å; K46-V50 HydrophobicContact CG-CG2 4.35Å; K46-V50 WeakPolarHBondContact O-CB 3.47Å; K46-V50 VanDerWaalsContact O-CG2 3.23Å; K46-V50 WeakPolarHBondContact O-CG2 3.44Å; K46-V50 PolarHBondContact O-N 2.97Å
47Q93.9Very high96.1Very high93 Ų9363 Ų6344%0.43534%0.337SS..Hα-helixtrans-64.8-39.5-177.6-61.6-59.5-1700112.3R45 A51R45-Q47 VanDerWaalsContact C-N 3.34Å; R45-Q47 PolarHBondContact O-N 3.41Å; Q47-A51 WeakPolarHBondContact O-CB 3.49Å; Q47-A51 PolarHBondContact O-N 3.35Å
48S95.6Very high96.2Very high58 Ų5858.6 Ų58.641%0.40631%0.309SS..Hα-helixtrans-69.3-36.5176.7570000112.8R45 K46 A51 Q52R45-S48 PolarHBondContact O-N 2.85Å; R45-S48 VanDerWaalsContact O-N 3.08Å; R45-S48 PolarHBondContact O-OG 3.44Å; K46-S48 PolarHBondContact O-N 3.29Å; S48-A51 PolarHBondContact O-N 3.24Å; S48-Q52 WeakPolarHBondContact O-CG 3.45Å; S48-Q52 PolarHBondContact O-N 3.31Å
49D96.9Very high96.3Very high28 Ų2858.7 Ų58.715%0.1531%0.314CS..Hα-helixtrans-70.8-43.1179.3-65.6-10.7000110.4F30 Y34 R45 K46 A51 Q52 E53F30-D49 HydrophobicContact CE1-CB 4.16Å; F30-D49 HydrophobicContact CZ-CB 4.05Å; Y34-D49 HydrophobicContact CE2-CB 3.94Å; Y34-D49 PolarHBondContact OH-OD2 3.31Å; R45-D49 VanDerWaalsContact O-CG 3.27Å; R45-D49 PolarHBondContact O-N 3.11Å; K46-D49 PolarHBondContact O-N 2.82Å; D49-A51 VanDerWaalsContact C-N 3.31Å; D49-A51 PolarHBondContact O-N 3.22Å; D49-Q52 WeakPolarHBondContact O-CB 3.36Å; D49-Q52 PolarHBondContact O-N 3.4Å; D49-Q52 VanDerWaalsContact O-N 3.14Å; D49-E53 PolarHBondContact O-N 2.9Å
50V96.9Very high96.3Very high3 Ų360.8 Ų60.82%0.01832%0.316CS..Hα-helixtrans-60.5-41.1173.6171.90000110.9F30 R31 K46 Q52 E53 M54 V84F30-V50 HydrophobicContact CD1-CG2 4.12Å; F30-V50 HydrophobicContact CE1-CG2 4Å; R31-V50 HydrophobicContact CB-CG1 4.39Å; R31-V50 HydrophobicContact CB-CG2 4.02Å; R31-V50 HydrophobicContact CG-CG1 4.31Å; R31-V50 HydrophobicContact CG-CG2 4.02Å; K46-V50 HydrophobicContact CG-CG2 4.35Å; K46-V50 WeakPolarHBondContact O-CB 3.47Å; K46-V50 VanDerWaalsContact O-CG2 3.23Å; K46-V50 WeakPolarHBondContact O-CG2 3.44Å; K46-V50 PolarHBondContact O-N 2.97Å; V50-Q52 VanDerWaalsContact C-N 3.32Å; V50-Q52 PolarHBondContact O-N 3.36Å; V50-E53 PolarHBondContact O-N 3.21Å; V50-M54 VanDerWaalsContact O-CB 3.28Å; V50-M54 WeakPolarHBondContact O-CB 3.32Å; V50-M54 PolarHBondContact O-N 3.05Å; V50-V84 HydrophobicContact CG1-CG1 4.14Å; V50-V84 HydrophobicContact CG1-CG2 3.93Å
51A96.3Very high96.4Very high43 Ų4358.8 Ų58.836%0.35530%0.304SS..Hα-helixtrans-64.1-35.9175.700000112.8Q47 S48 D49 E55Q47-A51 WeakPolarHBondContact O-CB 3.49Å; Q47-A51 PolarHBondContact O-N 3.35Å; S48-A51 PolarHBondContact O-N 3.24Å; D49-A51 VanDerWaalsContact C-N 3.31Å; D49-A51 PolarHBondContact O-N 3.22Å; A51-E55 PolarHBondContact O-N 3.05Å
52Q97.4Very high96.4Very high110 Ų11056.8 Ų56.851%0.51429%0.29SS..Hα-helixtrans-68.3-45.4175.3-73.6172.642.400112.1S48 D49 V50 M54 E55 K56S48-Q52 WeakPolarHBondContact O-CG 3.45Å; S48-Q52 PolarHBondContact O-N 3.31Å; D49-Q52 WeakPolarHBondContact O-CB 3.36Å; D49-Q52 PolarHBondContact O-N 3.4Å; D49-Q52 VanDerWaalsContact O-N 3.14Å; V50-Q52 VanDerWaalsContact C-N 3.32Å; V50-Q52 PolarHBondContact O-N 3.36Å; Q52-M54 VanDerWaalsContact C-N 3.32Å; Q52-E55 PolarHBondContact O-N 3.18Å; Q52-K56 WeakPolarHBondContact O-CG 3.37Å; Q52-K56 PolarHBondContact O-N 3.2Å; Q52-K56 VanDerWaalsContact O-N 3.11Å
53E97.9Very high96.4Very high59 Ų5961.1 Ų61.128%0.27631%0.309SS..Hα-helixtrans-63.9-39175.1-67.4-50.2129.500111.5L27 F30 D49 V50 E55 K56 T57L27-E53 HydrophobicContact CD1-CB 3.76Å; F30-E53 HydrophobicContact CD1-CB 4.33Å; F30-E53 HydrophobicContact CD1-CG 3.92Å; F30-E53 HydrophobicContact CE1-CB 4.49Å; F30-E53 HydrophobicContact CE1-CG 3.8Å; F30-E53 HydrophobicContact CE2-CG 4.48Å; F30-E53 HydrophobicContact CG-CG 4.33Å; F30-E53 HydrophobicContact CZ-CG 4.09Å; D49-E53 PolarHBondContact O-N 2.9Å; V50-E53 PolarHBondContact O-N 3.21Å; E53-E55 PolarHBondContact O-N 3.23Å; E53-K56 WeakPolarHBondContact O-CB 3.33Å; E53-K56 PolarHBondContact O-N 3.22Å; E53-K56 IonicContact OE1-NZ 3.77Å; E53-K56 PolarHBondContact OE1-NZ 3.44Å; E53-K56 IonicContact OE2-NZ 2.72Å; E53-T57 PolarHBondContact O-N 2.83Å; E53-T57 PolarHBondContact O-OG1 3.16Å
54M97.8Very high96.3Very high31 Ų3163.9 Ų63.915%0.15332%0.319CS..Hα-helixtrans-56.4-49.5172.9-177.7-172.565.900111.4L27 V50 Q52 K56 T57 L58 C81 V84L27-M54 HydrophobicContact CD1-CB 4.3Å; L27-M54 HydrophobicContact CD2-CB 4.29Å; L27-M54 HydrophobicContact CD2-CG 4.44Å; V50-M54 VanDerWaalsContact O-CB 3.28Å; V50-M54 WeakPolarHBondContact O-CB 3.32Å; V50-M54 PolarHBondContact O-N 3.05Å; Q52-M54 VanDerWaalsContact C-N 3.32Å; M54-K56 VanDerWaalsContact C-N 3.32Å; M54-K56 PolarHBondContact O-N 3.22Å; M54-T57 PolarHBondContact O-N 3.14Å; M54-L58 HydrophobicContact CE-CD1 4.46Å; M54-L58 HydrophobicContact CG-CD1 3.95Å; M54-L58 HydrophobicContact CG-CG 4.29Å; M54-L58 WeakPolarHBondContact O-CB 3.38Å; M54-L58 VanDerWaalsContact O-CG 3.29Å; M54-L58 WeakPolarHBondContact O-CG 3.33Å; M54-L58 PolarHBondContact O-N 3.09Å; M54-L58 HydrophobicContact SD-CD1 4.46Å; M54-C81 WeakPolarHBondContact CG-O 3.32Å; M54-V84 HydrophobicContact CB-CG1 3.84Å; M54-V84 HydrophobicContact CG-CG1 3.7Å; M54-V84 HydrophobicContact SD-CG1 3.55Å; M54-V84 VanDerWaalsContact SD-CG1 3.55Å
55E97.8Very high96.2Very high86 Ų8663.4 Ų63.440%0.40230%0.301SS..Hα-helixtrans-65.4-34.3-178.6-17559.8-161.600112.7A51 Q52 E53 T59 R62A51-E55 PolarHBondContact O-N 3.05Å; Q52-E55 PolarHBondContact O-N 3.18Å; E53-E55 PolarHBondContact O-N 3.23Å; E55-T59 WeakPolarHBondContact O-CB 3.45Å; E55-T59 PolarHBondContact O-N 2.67Å; E55-T59 PolarHBondContact O-OG1 2.9Å; E55-R62 IonicContact OE1-CZ 2.87Å; E55-R62 IonicContact OE1-NH1 3.57Å; E55-R62 IonicContact OE1-NH2 3.98Å; E55-R62 PolarHBondContact OE1-NH2 2.99Å
56K97.7Very high96Very high112 Ų11263.6 Ų63.649%0.48731%0.308SS..Hα-helixtrans-62.2-48.8172.1-69.7172-172171.40110.8Q52 E53 M54 T59 K60Q52-K56 WeakPolarHBondContact O-CG 3.37Å; Q52-K56 PolarHBondContact O-N 3.2Å; Q52-K56 VanDerWaalsContact O-N 3.11Å; E53-K56 WeakPolarHBondContact O-CB 3.33Å; E53-K56 PolarHBondContact O-N 3.22Å; E53-K56 IonicContact OE1-NZ 3.77Å; E53-K56 PolarHBondContact OE1-NZ 3.44Å; E53-K56 IonicContact OE2-NZ 2.72Å; M54-K56 VanDerWaalsContact C-N 3.32Å; M54-K56 PolarHBondContact O-N 3.22Å; K56-T59 WeakPolarHBondContact O-CB 3.16Å; K56-T59 PolarHBondContact O-N 3.41Å; K56-K60 PolarHBondContact O-N 2.76Å
57T97.9Very high95.9Very high11 Ų1165.8 Ų65.87%0.06733%0.328CS..Hα-helixtrans-64.5-41178-59.20000111.8L23 V24 E53 M54 T59 K60 L61L23-T57 HydrophobicContact CB-CG2 4.04Å; V24-T57 HydrophobicContact CG2-CG2 3.93Å; E53-T57 PolarHBondContact O-N 2.83Å; E53-T57 PolarHBondContact O-OG1 3.16Å; M54-T57 PolarHBondContact O-N 3.14Å; T57-T59 VanDerWaalsContact C-N 3.28Å; T57-T59 PolarHBondContact O-N 2.94Å; T57-K60 PolarHBondContact O-N 2.86Å; T57-K60 VanDerWaalsContact O-N 3.15Å; T57-L61 HydrophobicContact CG2-CD1 4.19Å; T57-L61 PolarHBondContact O-N 3.19Å
58L96.8Very high95.8Very high16 Ų1662.1 Ų62.18%0.08431%0.31CS..Hα-helixtrans-61.6-35.2174.7-73.4174.2000112.7M54 K60 L61 R62 C81 L82M54-L58 HydrophobicContact CE-CD1 4.46Å; M54-L58 HydrophobicContact CG-CD1 3.95Å; M54-L58 HydrophobicContact CG-CG 4.29Å; M54-L58 WeakPolarHBondContact O-CB 3.38Å; M54-L58 VanDerWaalsContact O-CG 3.29Å; M54-L58 WeakPolarHBondContact O-CG 3.33Å; M54-L58 PolarHBondContact O-N 3.09Å; M54-L58 HydrophobicContact SD-CD1 4.46Å; L58-K60 VanDerWaalsContact C-N 3.33Å; L58-L61 HydrophobicContact CD2-CD1 4.28Å; L58-L61 PolarHBondContact O-N 3.27Å; L58-R62 WeakPolarHBondContact O-CB 3.17Å; L58-R62 WeakPolarHBondContact O-CG 3.41Å; L58-R62 PolarHBondContact O-N 3.45Å; L58-C81 HydrophobicContact CD2-CB 4.02Å; L58-C81 VanDerWaalsContact CD2-SG 3.55Å; L58-L82 HydrophobicContact CD1-CD2 3.65Å; L58-L82 HydrophobicContact CD2-CD2 3.76Å; L58-L82 HydrophobicContact CD2-CG 3.81Å; L58-L82 HydrophobicContact CG-CD2 4.38Å
59T97.4Very high95.4Very high57 Ų5763 Ų6335%0.3531%0.307SS..Hα-helixtrans-62.7-42.3175.2-60.50000111.2E55 K56 T57 R62 E63E55-T59 WeakPolarHBondContact O-CB 3.45Å; E55-T59 PolarHBondContact O-N 2.67Å; E55-T59 PolarHBondContact O-OG1 2.9Å; K56-T59 WeakPolarHBondContact O-CB 3.16Å; K56-T59 PolarHBondContact O-N 3.41Å; T57-T59 VanDerWaalsContact C-N 3.28Å; T57-T59 PolarHBondContact O-N 2.94Å; T59-R62 PolarHBondContact O-N 2.73Å; T59-R62 PolarHBondContact OG1-NH2 3.43Å; T59-E63 WeakPolarHBondContact O-CG 3.27Å; T59-E63 PolarHBondContact O-N 2.8Å
60K96.4Very high95.1Very high94 Ų9468.2 Ų68.241%0.40933%0.33SS..Hα-helixtrans-66.1-39.1174.2-65.2-54.7-176.5-170.50113.6L23 K56 T57 L58 E63L23-K60 HydrophobicContact CD1-CB 3.89Å; L23-K60 HydrophobicContact CD1-CG 4.16Å; K56-K60 PolarHBondContact O-N 2.76Å; T57-K60 PolarHBondContact O-N 2.86Å; T57-K60 VanDerWaalsContact O-N 3.15Å; L58-K60 VanDerWaalsContact C-N 3.33Å; K60-E63 WeakPolarHBondContact CD-OE2 3.48Å; K60-E63 IonicContact NZ-OE1 2.72Å; K60-E63 PolarHBondContact NZ-OE1 3.35Å; K60-E63 IonicContact NZ-OE2 2.9Å; K60-E63 PolarHBondContact NZ-OE2 2.84Å; K60-E63 PolarHBondContact O-N 3.49Å
61L95.4Very high95Very high3 Ų369.6 Ų69.62%0.01634%0.34CS..Hα-helixtrans-62.9-41.7173.2-73.7160.2000111.7L20 V24 T57 L58 E63 K64 E65 F74 L77 C81L20-L61 HydrophobicContact CB-CD2 4.14Å; L20-L61 HydrophobicContact CD1-CD2 4.12Å; L20-L61 HydrophobicContact CD2-CD2 3.95Å; L20-L61 HydrophobicContact CD2-CG 4.3Å; L20-L61 HydrophobicContact CG-CD2 4.29Å; V24-L61 HydrophobicContact CG2-CD1 4.25Å; T57-L61 HydrophobicContact CG2-CD1 4.19Å; T57-L61 PolarHBondContact O-N 3.19Å; L58-L61 HydrophobicContact CD2-CD1 4.28Å; L58-L61 PolarHBondContact O-N 3.27Å; L61-E63 VanDerWaalsContact C-N 3.33Å; L61-E63 PolarHBondContact O-N 2.86Å; L61-K64 PolarHBondContact O-N 3.04Å; L61-K64 VanDerWaalsContact O-N 3.13Å; L61-E65 PolarHBondContact O-N 3.19Å; L61-F74 HydrophobicContact CB-CE2 4.48Å; L61-F74 HydrophobicContact CD2-CD2 4.38Å; L61-F74 HydrophobicContact CD2-CE2 3.93Å; L61-F74 WeakPolarHBondContact O-CE2 3.44Å; L61-F74 VanDerWaalsContact O-CZ 3.3Å; L61-F74 WeakPolarHBondContact O-CZ 3.26Å; L61-L77 HydrophobicContact CD2-CB 4.21Å; L61-C81 HydrophobicContact CD1-CB 3.68Å
62R95.6Very high95Very high121 Ų12168 Ų6846%0.45733%0.327SS..Hα-helixtrans-61.9-36.8178.5-79.4-177-70.9-155.30.2113E55 L58 T59 K64 E65E55-R62 IonicContact OE1-CZ 2.87Å; E55-R62 IonicContact OE1-NH1 3.57Å; E55-R62 IonicContact OE1-NH2 3.98Å; E55-R62 PolarHBondContact OE1-NH2 2.99Å; L58-R62 WeakPolarHBondContact O-CB 3.17Å; L58-R62 WeakPolarHBondContact O-CG 3.41Å; L58-R62 PolarHBondContact O-N 3.45Å; T59-R62 PolarHBondContact O-N 2.73Å; T59-R62 PolarHBondContact OG1-NH2 3.43Å; R62-K64 PolarHBondContact O-N 3.18Å; R62-K64 VanDerWaalsContact O-N 3.13Å; R62-E65 WeakPolarHBondContact O-CB 3.37Å; R62-E65 PolarHBondContact O-N 3.39Å
63E94.8Very high94.9Very high121 Ų12166.5 Ų66.557%0.56532%0.32SS*.Hα-helixtrans-56.8-27.4176.1-70.4170.1-167.900112.5T59 K60 L61T59-E63 WeakPolarHBondContact O-CG 3.27Å; T59-E63 PolarHBondContact O-N 2.8Å; K60-E63 WeakPolarHBondContact CD-OE2 3.48Å; K60-E63 IonicContact NZ-OE1 2.72Å; K60-E63 PolarHBondContact NZ-OE1 3.35Å; K60-E63 IonicContact NZ-OE2 2.9Å; K60-E63 PolarHBondContact NZ-OE2 2.84Å; K60-E63 PolarHBondContact O-N 3.49Å; L61-E63 VanDerWaalsContact C-N 3.33Å; L61-E63 PolarHBondContact O-N 2.86Å
64K93.8Very high94.8Very high65 Ų6563.8 Ų63.828%0.28331%0.307SS..THydrogen-bonded Turntrans-108.62.8-176.7-61.5-67.1-167158.60113.6D16 L20 L61 R62 E66 S67 Y68 F74D16-K64 IonicContact OD1-NZ 3.19Å; D16-K64 PolarHBondContact OD1-NZ 3.19Å; D16-K64 IonicContact OD2-NZ 2.78Å; D16-K64 PolarHBondContact OD2-NZ 3.09Å; L20-K64 HydrophobicContact CD1-CB 4.11Å; L20-K64 HydrophobicContact CD1-CG 4.29Å; L61-K64 PolarHBondContact O-N 3.04Å; L61-K64 VanDerWaalsContact O-N 3.13Å; R62-K64 PolarHBondContact O-N 3.18Å; R62-K64 VanDerWaalsContact O-N 3.13Å; K64-E66 PolarHBondContact O-N 3.06Å; K64-S67 PolarHBondContact O-N 3.29Å; K64-Y68 HydrophobicContact CB-CD2 3.91Å; K64-Y68 HydrophobicContact CB-CE2 4.11Å; K64-Y68 HydrophobicContact CD-CE2 4.34Å; K64-Y68 WeakPolarHBondContact O-CD2 3.46Å; K64-Y68 PolarHBondContact O-N 3.46Å; K64-F74 HydrophobicContact CB-CE2 4.32Å
65E92.9Very high94.8Very high51 Ų5162.4 Ų62.424%0.23830%0.3CS..Hα-helixtrans-60.4-47.7-172.1-178.6170.7176.800113.1L61 R62 S67 Y68 K69 F74 R78L61-E65 PolarHBondContact O-N 3.19Å; R62-E65 WeakPolarHBondContact O-CB 3.37Å; R62-E65 PolarHBondContact O-N 3.39Å; E65-S67 PolarHBondContact O-N 2.92Å; E65-Y68 PolarHBondContact O-N 3.42Å; E65-K69 WeakPolarHBondContact O-CA 3.33Å; E65-K69 VanDerWaalsContact O-CB 3.26Å; E65-K69 WeakPolarHBondContact O-CB 3.33Å; E65-K69 PolarHBondContact O-N 2.89Å; E65-F74 HydrophobicContact CB-CE1 4.29Å; E65-F74 HydrophobicContact CB-CZ 4.03Å; E65-F74 HydrophobicContact CG-CE1 4.23Å; E65-F74 HydrophobicContact CG-CZ 4.44Å; E65-R78 IonicContact OE1-CZ 3.69Å; E65-R78 IonicContact OE1-NH1 3.6Å; E65-R78 PolarHBondContact OE1-NH1 3.45Å; E65-R78 IonicContact OE1-NH2 3.65Å; E65-R78 PolarHBondContact OE1-NH2 3.49Å; E65-R78 IonicContact OE2-CZ 3.27Å; E65-R78 IonicContact OE2-NH1 2.77Å; E65-R78 PolarHBondContact OE2-NH1 3.39Å; E65-R78 IonicContact OE2-NH2 2.85Å; E65-R78 PolarHBondContact OE2-NH2 2.94Å
66E92.3Very high94.8Very high135 Ų13558.6 Ų58.663%0.63128%0.283SS*.Hα-helixtrans-64.2-27.7-178.6-74.2-56.5138.300113.3K64 K69K64-E66 PolarHBondContact O-N 3.06Å; E66-K69 IonicContact OE2-NZ 3.33Å; E66-K69 PolarHBondContact OE2-NZ 3.41Å
67S91.8Very high94.8Very high85 Ų8553.5 Ų53.559%0.59426%0.261SS*.Hα-helixtrans-76.1-36.5177.5-57.60000112.1K64 E65K64-S67 PolarHBondContact O-N 3.29Å; E65-S67 PolarHBondContact O-N 2.92Å
68Y92.6Very high94.8Very high15 Ų1555.3 Ų55.36%0.05927%0.266CS..Hα-helixtrans-121.113.2-170.6-55.7-74.2000115.1E13 D16 L17 K64 E65 H70 S71 F74E13-Y68 WeakPolarHBondContact CA-OH 3.28Å; E13-Y68 HydrophobicContact CB-CE1 4.01Å; E13-Y68 HydrophobicContact CG-CE1 4.01Å; D16-Y68 HydrophobicContact CB-CE2 4.09Å; D16-Y68 VanDerWaalsContact CB-OH 3.28Å; D16-Y68 WeakPolarHBondContact CB-OH 3.17Å; D16-Y68 PolarHBondContact OD2-OH 3.09Å; L17-Y68 HydrophobicContact CD1-CD1 4.27Å; L17-Y68 HydrophobicContact CD1-CE1 4.33Å; L17-Y68 HydrophobicContact CD2-CD1 4.1Å; L17-Y68 HydrophobicContact CD2-CD2 4.42Å; L17-Y68 HydrophobicContact CD2-CE1 4.49Å; L17-Y68 HydrophobicContact CD2-CG 4.08Å; L17-Y68 HydrophobicContact CG-CD1 4.23Å; L17-Y68 HydrophobicContact CG-CE1 4.19Å; K64-Y68 HydrophobicContact CB-CD2 3.91Å; K64-Y68 HydrophobicContact CB-CE2 4.11Å; K64-Y68 HydrophobicContact CD-CE2 4.34Å; K64-Y68 WeakPolarHBondContact O-CD2 3.46Å; K64-Y68 PolarHBondContact O-N 3.46Å; E65-Y68 PolarHBondContact O-N 3.42Å; Y68-H70 PolarHBondContact O-N 3.33Å; Y68-S71 WeakPolarHBondContact O-CB 3.36Å; Y68-S71 PolarHBondContact O-N 3.45Å; Y68-F74 HydrophobicContact CD2-CD2 4.4Å; Y68-F74 HydrophobicContact CG-CD2 4.43Å; Y68-F74 WeakPolarHBondContact O-CD1 3.23Å
69K88.1Confident94.8Very high76 Ų7654.5 Ų54.533%0.3326%0.262SS..THydrogen-bonded Turntrans-57-15.5-177.764.5-175.6175.5-163.20116.3E65 E66 R98E65-K69 WeakPolarHBondContact O-CA 3.33Å; E65-K69 VanDerWaalsContact O-CB 3.26Å; E65-K69 WeakPolarHBondContact O-CB 3.33Å; E65-K69 PolarHBondContact O-N 2.89Å; E66-K69 IonicContact OE2-NZ 3.33Å; E66-K69 PolarHBondContact OE2-NZ 3.41Å; K69-R98 PolarHBondContact O-NH2 3.44Å
70H90.3Very high94.8Very high138 Ų13853.2 Ų53.264%0.63925%0.251SS*.THydrogen-bonded Turntrans-109.60.4176.2-60.6-60.8000113.5Y68 L102Y68-H70 PolarHBondContact O-N 3.33Å; H70-L102 WeakPolarHBondContact O-CD1 3.27Å
71S94.9Very high94.8Very high33 Ų3348.7 Ų48.723%0.23123%0.231CC..  trans-78.6128.6173.2170.50000110.3Y68 E73 F74 L75Y68-S71 WeakPolarHBondContact O-CB 3.36Å; Y68-S71 PolarHBondContact O-N 3.45Å; S71-E73 VanDerWaalsContact C-N 3.3Å; S71-E73 PolarHBondContact O-N 3.24Å; S71-E73 PolarHBondContact OG-N 3.39Å; S71-F74 PolarHBondContact O-N 2.85Å; S71-F74 PolarHBondContact OG-N 3.17Å; S71-L75 VanDerWaalsContact O-CG 3.29Å; S71-L75 WeakPolarHBondContact O-CG 3.29Å; S71-L75 PolarHBondContact O-N 3.11Å; S71-L75 VanDerWaalsContact O-N 3.09Å
72A95.6Very high94.8Very high10 Ų1050 Ų508%0.08324%0.238CC..Hα-helixtrans-62.5-39.4175.800000111.5L75 L76 L102 E103 L106A72-L75 PolarHBondContact O-N 3.16Å; A72-L76 WeakPolarHBondContact O-CB 3.28Å; A72-L76 PolarHBondContact O-N 3.24Å; A72-L102 HydrophobicContact CB-CB 3.97Å; A72-E103 HydrophobicContact CB-CB 3.84Å; A72-L106 HydrophobicContact CB-CD2 4.48Å
73E95.4Very high94.7Very high78 Ų7844.3 Ų44.336%0.36422%0.217SC..Hα-helixtrans-65.5-44.3178.2-173.8168.4-157.400111.7S71 L75 L76 L77S71-E73 VanDerWaalsContact C-N 3.3Å; S71-E73 PolarHBondContact O-N 3.24Å; S71-E73 PolarHBondContact OG-N 3.39Å; E73-L75 PolarHBondContact O-N 3.5Å; E73-L76 WeakPolarHBondContact O-CB 3.37Å; E73-L76 PolarHBondContact O-N 3.49Å; E73-L77 WeakPolarHBondContact O-CG 3.36Å; E73-L77 PolarHBondContact O-N 3.08Å
74F96.8Very high94.7Very high1 Ų138.8 Ų38.80%0.00419%0.191CC..Hα-helixtrans-63.5-43175.8179.3-96000112.3L17 L20 L61 K64 E65 Y68 S71 L76 L77 R78L17-F74 HydrophobicContact CD2-CB 3.97Å; L17-F74 HydrophobicContact CD2-CD2 4.37Å; L20-F74 HydrophobicContact CD1-CD2 3.88Å; L20-F74 HydrophobicContact CD1-CE2 3.94Å; L61-F74 HydrophobicContact CB-CE2 4.48Å; L61-F74 HydrophobicContact CD2-CD2 4.38Å; L61-F74 HydrophobicContact CD2-CE2 3.93Å; L61-F74 WeakPolarHBondContact O-CE2 3.44Å; L61-F74 VanDerWaalsContact O-CZ 3.3Å; L61-F74 WeakPolarHBondContact O-CZ 3.26Å; K64-F74 HydrophobicContact CB-CE2 4.32Å; E65-F74 HydrophobicContact CB-CE1 4.29Å; E65-F74 HydrophobicContact CB-CZ 4.03Å; E65-F74 HydrophobicContact CG-CE1 4.23Å; E65-F74 HydrophobicContact CG-CZ 4.44Å; Y68-F74 HydrophobicContact CD2-CD2 4.4Å; Y68-F74 HydrophobicContact CG-CD2 4.43Å; Y68-F74 WeakPolarHBondContact O-CD1 3.23Å; S71-F74 PolarHBondContact O-N 2.85Å; S71-F74 PolarHBondContact OG-N 3.17Å; F74-L76 VanDerWaalsContact C-N 3.29Å; F74-L76 PolarHBondContact O-N 2.85Å; F74-L77 PolarHBondContact O-N 3Å; F74-R78 WeakPolarHBondContact O-CB 3.34Å; F74-R78 PolarHBondContact O-N 2.91Å
75L97.5Very high94.4Very high2 Ų236.5 Ų36.51%0.0119%0.185CC..Hα-helixtrans-62.8-37.6176.3-71.6168000111.8S71 A72 E73 G79 C95 R98 A99 L102S71-L75 VanDerWaalsContact O-CG 3.29Å; S71-L75 WeakPolarHBondContact O-CG 3.29Å; S71-L75 PolarHBondContact O-N 3.11Å; S71-L75 VanDerWaalsContact O-N 3.09Å; A72-L75 PolarHBondContact O-N 3.16Å; E73-L75 PolarHBondContact O-N 3.5Å; L75-G79 PolarHBondContact O-N 3.01Å; L75-C95 HydrophobicContact CD2-CB 4.36Å; L75-R98 HydrophobicContact CD1-CB 3.93Å; L75-A99 HydrophobicContact CB-CB 3.9Å; L75-L102 HydrophobicContact CD1-CD1 3.7Å
76L97.4Very high94.2Very high7 Ų735.8 Ų35.84%0.03718%0.184CC..Hα-helixtrans-60.3-53.4171.7171.266.5000111.2A72 E73 F74 R78 G79 R80 L96 L106 E108 G109 I112A72-L76 WeakPolarHBondContact O-CB 3.28Å; A72-L76 PolarHBondContact O-N 3.24Å; E73-L76 WeakPolarHBondContact O-CB 3.37Å; E73-L76 PolarHBondContact O-N 3.49Å; F74-L76 VanDerWaalsContact C-N 3.29Å; F74-L76 PolarHBondContact O-N 2.85Å; L76-R78 VanDerWaalsContact C-N 3.32Å; L76-R78 PolarHBondContact O-N 3.44Å; L76-G79 PolarHBondContact O-N 2.79Å; L76-R80 VanDerWaalsContact O-CB 3.31Å; L76-R80 WeakPolarHBondContact O-CB 3.36Å; L76-R80 PolarHBondContact O-N 3.32Å; L76-L96 HydrophobicContact CD1-CD2 3.93Å; L76-L106 HydrophobicContact CB-CD2 4.01Å; L76-L106 HydrophobicContact CD2-CD1 3.96Å; L76-L106 HydrophobicContact CD2-CD2 3.94Å; L76-L106 HydrophobicContact CD2-CG 4.09Å; L76-L106 HydrophobicContact CG-CD2 4.4Å; L76-E108 HydrophobicContact CD1-CB 4.42Å; L76-E108 HydrophobicContact CD1-CG 4.23Å; L76-E108 HydrophobicContact CD2-CB 4.16Å; L76-E108 HydrophobicContact CD2-CG 4.3Å; L76-G109 VanDerWaalsContact CD1-CA 3.48Å; L76-I112 HydrophobicContact CD1-CD1 3.9Å
77L97.8Very high94.1Very high4 Ų435.5 Ų35.52%0.02118%0.183CC..Hα-helixtrans-59.5-43.2-178.4-68.4177.3000111.9L20 K21 V24 L61 E73 F74 R80 C81L20-L77 HydrophobicContact CB-CD1 3.88Å; K21-L77 HydrophobicContact CB-CD1 4.07Å; K21-L77 HydrophobicContact CB-CD2 3.91Å; K21-L77 HydrophobicContact CG-CD2 4.05Å; V24-L77 HydrophobicContact CB-CD2 4.36Å; V24-L77 HydrophobicContact CG2-CB 4.36Å; V24-L77 HydrophobicContact CG2-CD2 4.44Å; L61-L77 HydrophobicContact CD2-CB 4.21Å; E73-L77 WeakPolarHBondContact O-CG 3.36Å; E73-L77 PolarHBondContact O-N 3.08Å; F74-L77 PolarHBondContact O-N 3Å; L77-R80 PolarHBondContact O-N 3.46Å; L77-C81 WeakPolarHBondContact O-CB 3.45Å; L77-C81 PolarHBondContact O-N 2.99Å
78R97.3Very high94.2Very high49 Ų4934.6 Ų34.619%0.18517%0.168CC..Hα-helixtrans-63.7-45.9175.3-174.3-179.1-178.5173.412112.1E65 F74 L76 R80 C81 L82E65-R78 IonicContact OE1-CZ 3.69Å; E65-R78 IonicContact OE1-NH1 3.6Å; E65-R78 PolarHBondContact OE1-NH1 3.45Å; E65-R78 IonicContact OE1-NH2 3.65Å; E65-R78 PolarHBondContact OE1-NH2 3.49Å; E65-R78 IonicContact OE2-CZ 3.27Å; E65-R78 IonicContact OE2-NH1 2.77Å; E65-R78 PolarHBondContact OE2-NH1 3.39Å; E65-R78 IonicContact OE2-NH2 2.85Å; E65-R78 PolarHBondContact OE2-NH2 2.94Å; F74-R78 WeakPolarHBondContact O-CB 3.34Å; F74-R78 PolarHBondContact O-N 2.91Å; L76-R78 VanDerWaalsContact C-N 3.32Å; L76-R78 PolarHBondContact O-N 3.44Å; R78-R80 VanDerWaalsContact C-N 3.33Å; R78-R80 PolarHBondContact O-N 3.26Å; R78-C81 PolarHBondContact O-N 3.08Å; R78-L82 HydrophobicContact CG-CD1 4.08Å; R78-L82 WeakPolarHBondContact O-CB 3.49Å; R78-L82 WeakPolarHBondContact O-CG 3.46Å; R78-L82 PolarHBondContact O-N 3.3Å
79G96.9Very high94.3Very high0 Ų035.1 Ų35.10%017%0.174CC..Hα-helixtrans-60.9-42.2176.500000112.5L75 L76 L82 G83L75-G79 PolarHBondContact O-N 3.01Å; L76-G79 PolarHBondContact O-N 2.79Å; G79-L82 PolarHBondContact O-N 2.67Å; G79-G83 PolarHBondContact O-N 3.29Å
80R96.9Very high94.7Very high29 Ų2935.2 Ų35.211%0.10918%0.181CC..Hα-helixtrans-63.9-44.2176.3-175169.8171-152.6-18.3112.1V24 D25 Y28 L76 L77 R78 G83 V84 E108 I112V24-R80 HydrophobicContact CG1-CB 4.07Å; V24-R80 HydrophobicContact CG1-CG 3.69Å; D25-R80 IonicContact OD1-CZ 3.5Å; D25-R80 IonicContact OD1-NH1 3.55Å; D25-R80 PolarHBondContact OD1-NH1 2.65Å; D25-R80 IonicContact OD1-NH2 3.94Å; D25-R80 PolarHBondContact OD1-NH2 3.5Å; Y28-R80 HydrophobicContact CD2-CG 4.35Å; Y28-R80 HydrophobicContact CE2-CG 3.51Å; Y28-R80 WeakPolarHBondContact CE2-O 3.39Å; Y28-R80 PolarHBondContact OH-O 2.91Å; L76-R80 VanDerWaalsContact O-CB 3.31Å; L76-R80 WeakPolarHBondContact O-CB 3.36Å; L76-R80 PolarHBondContact O-N 3.32Å; L77-R80 PolarHBondContact O-N 3.46Å; R78-R80 VanDerWaalsContact C-N 3.33Å; R78-R80 PolarHBondContact O-N 3.26Å; R80-G83 PolarHBondContact O-N 2.93Å; R80-V84 PolarHBondContact O-N 3.3Å; R80-E108 VanDerWaalsContact CD-OE1 3.32Å; R80-E108 WeakPolarHBondContact CD-OE1 3.49Å; R80-E108 IonicContact CZ-OE1 2.67Å; R80-E108 IonicContact NE-OE1 3.52Å; R80-E108 IonicContact NH1-OE1 2.64Å; R80-E108 PolarHBondContact NH1-OE1 2.64Å; R80-I112 HydrophobicContact CB-CD1 3.65Å; R80-I112 HydrophobicContact CG-CD1 3.61Å
81C97.6Very high95Very high0 Ų031.6 Ų31.60%017%0.169CC..Hα-helixtrans-61.2-49.2176.5-174.60000111.4V24 L27 M54 L58 L61 L77 R78 G83 V84V24-C81 HydrophobicContact CG2-CB 4.09Å; L27-C81 HydrophobicContact CD2-CB 4.49Å; M54-C81 WeakPolarHBondContact CG-O 3.32Å; L58-C81 HydrophobicContact CD2-CB 4.02Å; L58-C81 VanDerWaalsContact CD2-SG 3.55Å; L61-C81 HydrophobicContact CD1-CB 3.68Å; L77-C81 WeakPolarHBondContact O-CB 3.45Å; L77-C81 PolarHBondContact O-N 2.99Å; R78-C81 PolarHBondContact O-N 3.08Å; C81-G83 PolarHBondContact O-N 3.06Å; C81-V84 VanDerWaalsContact O-CG1 3.26Å; C81-V84 WeakPolarHBondContact O-CG1 3.48Å; C81-V84 PolarHBondContact O-N 3.22Å
82L95.5Very high95.1Very high31 Ų3130 Ų3016%0.16216%0.158CC..Hα-helixtrans-64.5-23.7175.7-70.6167.4000113.4L58 R78 G79 T91 A92L58-L82 HydrophobicContact CD1-CD2 3.65Å; L58-L82 HydrophobicContact CD2-CD2 3.76Å; L58-L82 HydrophobicContact CD2-CG 3.81Å; L58-L82 HydrophobicContact CG-CD2 4.38Å; R78-L82 HydrophobicContact CG-CD1 4.08Å; R78-L82 WeakPolarHBondContact O-CB 3.49Å; R78-L82 WeakPolarHBondContact O-CG 3.46Å; R78-L82 PolarHBondContact O-N 3.3Å; G79-L82 PolarHBondContact O-N 2.67Å; L82-T91 HydrophobicContact CD1-CG2 3.68Å; L82-A92 HydrophobicContact CB-CB 3.78Å
83G93.5Very high95.2Very high1 Ų130.9 Ų30.91%0.0116%0.161CC..THydrogen-bonded Turntrans-87.3-0.6-178.700000115.1G79 R80 C81 A85 K119G79-G83 PolarHBondContact O-N 3.29Å; R80-G83 PolarHBondContact O-N 2.93Å; C81-G83 PolarHBondContact O-N 3.06Å; G83-A85 VanDerWaalsContact C-N 3.32Å; G83-A85 PolarHBondContact O-N 3.19Å; G83-K119 PolarHBondContact O-NZ 2.96Å
84V94.1Very high95.2Very high4 Ų432.6 Ų32.62%0.02417%0.168CC..SBendtrans-66.9-33.2-177.473.20000112.7L27 Y28 R31 V50 M54 R80 C81L27-V84 HydrophobicContact CD1-CG2 4.4Å; L27-V84 HydrophobicContact CD2-CB 4.27Å; L27-V84 HydrophobicContact CD2-CG1 4.11Å; L27-V84 HydrophobicContact CD2-CG2 4.43Å; L27-V84 HydrophobicContact CG-CB 4.48Å; L27-V84 HydrophobicContact CG-CG1 4.48Å; L27-V84 HydrophobicContact CG-CG2 4.09Å; Y28-V84 HydrophobicContact CD2-CG2 4.34Å; Y28-V84 HydrophobicContact CE2-CB 4.04Å; Y28-V84 HydrophobicContact CE2-CG2 4.1Å; R31-V84 HydrophobicContact CB-CG2 4.39Å; V50-V84 HydrophobicContact CG1-CG1 4.14Å; V50-V84 HydrophobicContact CG1-CG2 3.93Å; M54-V84 HydrophobicContact CB-CG1 3.84Å; M54-V84 HydrophobicContact CG-CG1 3.7Å; M54-V84 HydrophobicContact SD-CG1 3.55Å; M54-V84 VanDerWaalsContact SD-CG1 3.55Å; R80-V84 PolarHBondContact O-N 3.3Å; C81-V84 VanDerWaalsContact O-CG1 3.26Å; C81-V84 WeakPolarHBondContact O-CG1 3.48Å; C81-V84 PolarHBondContact O-N 3.22Å
85A88.4Confident95.2Very high18 Ų1832.8 Ų32.815%0.14917%0.17CC..SBendtrans-74.9150.1179.400000111.1G83 E87 K119G83-A85 VanDerWaalsContact C-N 3.32Å; G83-A85 PolarHBondContact O-N 3.19Å; A85-E87 WeakPolarHBondContact CB-OE2 3.4Å; A85-E87 PolarHBondContact O-N 2.9Å; A85-K119 PolarHBondContact O-NZ 2.96Å
86P87.3Confident95.2Very high35 Ų3532.7 Ų32.723%0.22717%0.169CC..SBendtrans-59.9-28.7-179.2-24.334.6000113.9K119 S441P86-K119 VanDerWaalsContact O-CD 3.28Å; P86-K119 WeakPolarHBondContact O-CD 3.48Å; P86-K119 WeakPolarHBondContact O-CE 3.16Å; P86-K119 WeakPolarHBondContact O-CG 3.4Å; P86-S441 PolarHBondContact O-OG 3.3Å
87E90.7Very high95.2Very high130 Ų13033.3 Ų33.361%0.60718%0.175SC*.SBendtrans-74.5150.4-174.7-58.177.9-172.700113A85A85-E87 WeakPolarHBondContact CB-OE2 3.4Å; A85-E87 PolarHBondContact O-N 2.9Å
88F93.4Very high95.2Very high65 Ų6538.4 Ų38.429%0.28519%0.193SC..  trans-66.2133.1172.9166.8-106.4000111.5T90 E93 Q116 K119 K120F88-T90 WeakPolarHBondContact CE1-OG1 3.39Å; F88-E93 HydrophobicContact CE2-CB 4.04Å; F88-E93 VanDerWaalsContact CE2-OE2 3.3Å; F88-E93 WeakPolarHBondContact CE2-OE2 3.42Å; F88-E93 HydrophobicContact CZ-CB 4.29Å; F88-E93 WeakPolarHBondContact CZ-OE2 3.31Å; F88-Q116 WeakPolarHBondContact CD2-O 3.11Å; F88-K119 HydrophobicContact CB-CB 4.02Å; F88-K120 HydrophobicContact CD1-CG 4.49Å; F88-K120 HydrophobicContact CD2-CB 3.77Å; F88-K120 HydrophobicContact CD2-CD 4.44Å; F88-K120 HydrophobicContact CD2-CG 4.26Å; F88-K120 HydrophobicContact CE1-CD 4.47Å; F88-K120 HydrophobicContact CE1-CG 4.45Å; F88-K120 HydrophobicContact CE2-CB 4.06Å; F88-K120 HydrophobicContact CE2-CD 3.91Å; F88-K120 HydrophobicContact CE2-CG 4.2Å; F88-K120 HydrophobicContact CG-CB 4.1Å; F88-K120 HydrophobicContact CG-CG 4.4Å; F88-K120 HydrophobicContact CZ-CD 3.94Å; F88-K120 HydrophobicContact CZ-CG 4.31Å
89S95.8Very high95.2Very high26 Ų2636 Ų3618%0.18219%0.185CC..  trans-117.5112.5176175.70000111.4T91 A92 E93 Q116S89-T91 PolarHBondContact O-N 3.19Å; S89-A92 WeakPolarHBondContact O-CB 3.35Å; S89-A92 PolarHBondContact O-N 3.09Å; S89-A92 VanDerWaalsContact O-N 3.11Å; S89-A92 PolarHBondContact OG-N 3.05Å; S89-E93 PolarHBondContact O-N 3.5Å; S89-Q116 VanDerWaalsContact N-OE1 3.1Å
90T96.4Very high95.1Very high78 Ų7836.4 Ų36.448%0.47919%0.187SC..Hα-helixtrans-57.2-39.9174.3-50.60000111.5F88 A92 E93 E94F88-T90 WeakPolarHBondContact CE1-OG1 3.39Å; T90-A92 VanDerWaalsContact C-N 3.34Å; T90-A92 PolarHBondContact O-N 2.74Å; T90-E93 PolarHBondContact O-N 3.19Å; T90-E94 WeakPolarHBondContact O-CG 3.32Å; T90-E94 PolarHBondContact O-N 3.35Å
91T95.7Very high95.1Very high63 Ų6342.9 Ų42.939%0.38722%0.216SC..Hα-helixtrans-68.2-35.1178.9-50.30000111.7L82 S89 C95L82-T91 HydrophobicContact CD1-CG2 3.68Å; S89-T91 PolarHBondContact O-N 3.19Å; T91-C95 WeakPolarHBondContact O-CB 3.37Å; T91-C95 PolarHBondContact O-N 3.12Å; T91-C95 PolarHBondContact O-SG 3.23Å
92A96.6Very high95.1Very high0 Ų047.6 Ų47.60%024%0.24CC..Hα-helixtrans-64.4-47.7171.900000110.9L82 S89 T90 E94 C95 L96 Q116L82-A92 HydrophobicContact CB-CB 3.78Å; S89-A92 WeakPolarHBondContact O-CB 3.35Å; S89-A92 PolarHBondContact O-N 3.09Å; S89-A92 VanDerWaalsContact O-N 3.11Å; S89-A92 PolarHBondContact OG-N 3.05Å; T90-A92 VanDerWaalsContact C-N 3.34Å; T90-A92 PolarHBondContact O-N 2.74Å; A92-E94 VanDerWaalsContact C-N 3.31Å; A92-E94 PolarHBondContact O-N 3.38Å; A92-C95 PolarHBondContact O-N 3.2Å; A92-L96 HydrophobicContact CB-CD1 4.39Å; A92-L96 WeakPolarHBondContact O-CB 3.31Å; A92-L96 WeakPolarHBondContact O-CD1 3.46Å; A92-L96 WeakPolarHBondContact O-CG 3.4Å; A92-L96 PolarHBondContact O-N 2.79Å; A92-Q116 HydrophobicContact CB-CG 4.09Å
93E97.4Very high95.1Very high28 Ų2850.8 Ų50.813%0.13125%0.254CS..Hα-helixtrans-54.2-47.3176.4-175.7-174.3162.300111.2F88 S89 T90 S97 L113 Y117 K120F88-E93 HydrophobicContact CE2-CB 4.04Å; F88-E93 VanDerWaalsContact CE2-OE2 3.3Å; F88-E93 WeakPolarHBondContact CE2-OE2 3.42Å; F88-E93 HydrophobicContact CZ-CB 4.29Å; F88-E93 WeakPolarHBondContact CZ-OE2 3.31Å; S89-E93 PolarHBondContact O-N 3.5Å; T90-E93 PolarHBondContact O-N 3.19Å; E93-S97 WeakPolarHBondContact O-CB 3.37Å; E93-S97 PolarHBondContact O-N 2.94Å; E93-S97 PolarHBondContact O-OG 2.9Å; E93-L113 HydrophobicContact CG-CD1 4.13Å; E93-Y117 HydrophobicContact CG-CE1 4.39Å; E93-Y117 VanDerWaalsContact OE1-CE1 3.26Å; E93-Y117 WeakPolarHBondContact OE1-CE1 3.18Å; E93-Y117 PolarHBondContact OE1-OH 3.49Å; E93-K120 IonicContact OE1-NZ 3.51Å; E93-K120 PolarHBondContact OE1-NZ 3.43Å; E93-K120 IonicContact OE2-NZ 2.65Å; E93-K120 PolarHBondContact OE2-NZ 3.42Å
94E96.8Very high95.1Very high113 Ų11354 Ų5453%0.52828%0.275SS..Hα-helixtrans-63.4-45.7179.4-74.1175.2-176.500112.6T90 A92 R98T90-E94 WeakPolarHBondContact O-CG 3.32Å; T90-E94 PolarHBondContact O-N 3.35Å; A92-E94 VanDerWaalsContact C-N 3.31Å; A92-E94 PolarHBondContact O-N 3.38Å; E94-R98 WeakPolarHBondContact O-CB 3.48Å; E94-R98 VanDerWaalsContact O-CG 3.3Å; E94-R98 WeakPolarHBondContact O-CG 3.37Å; E94-R98 PolarHBondContact O-N 3.4Å; E94-R98 VanDerWaalsContact O-N 3.1Å
95C96.8Very high95.2Very high5 Ų555.9 Ų55.93%0.03430%0.295CS..Hα-helixtrans-62.2-49178.5-690000111L75 T91 A92 R98 A99L75-C95 HydrophobicContact CD2-CB 4.36Å; T91-C95 WeakPolarHBondContact O-CB 3.37Å; T91-C95 PolarHBondContact O-N 3.12Å; T91-C95 PolarHBondContact O-SG 3.23Å; A92-C95 PolarHBondContact O-N 3.2Å; C95-R98 PolarHBondContact O-N 2.69Å; C95-A99 PolarHBondContact O-N 3.16Å
96L97.5Very high95.5Very high0 Ų056.3 Ų56.30%030%0.295CS..Hα-helixtrans-68-40.8-177.6-65.4162.5000111.8L76 A92 R98 A99 V100 I112 L113 Q116L76-L96 HydrophobicContact CD1-CD2 3.93Å; A92-L96 HydrophobicContact CB-CD1 4.39Å; A92-L96 WeakPolarHBondContact O-CB 3.31Å; A92-L96 WeakPolarHBondContact O-CD1 3.46Å; A92-L96 WeakPolarHBondContact O-CG 3.4Å; A92-L96 PolarHBondContact O-N 2.79Å; L96-R98 VanDerWaalsContact C-N 3.25Å; L96-R98 PolarHBondContact O-N 3.47Å; L96-A99 WeakPolarHBondContact O-CB 3.47Å; L96-A99 PolarHBondContact O-N 2.79Å; L96-A99 VanDerWaalsContact O-N 3.13Å; L96-V100 WeakPolarHBondContact O-CG2 3.45Å; L96-V100 PolarHBondContact O-N 2.94Å; L96-I112 HydrophobicContact CD1-CB 4.12Å; L96-I112 HydrophobicContact CD1-CG2 3.51Å; L96-I112 HydrophobicContact CD2-CB 4.02Å; L96-I112 HydrophobicContact CD2-CG2 3.96Å; L96-I112 HydrophobicContact CG-CG2 4.39Å; L96-L113 HydrophobicContact CB-CB 4.03Å; L96-L113 HydrophobicContact CB-CD1 3.97Å; L96-L113 HydrophobicContact CB-CG 4.5Å; L96-Q116 HydrophobicContact CD1-CG 3.81Å
97S97.1Very high96Very high21 Ų2155.8 Ų55.815%0.14729%0.291CS..Hα-helixtrans-60.3-36.6174.6-66.80000112E93 K101E93-S97 WeakPolarHBondContact O-CB 3.37Å; E93-S97 PolarHBondContact O-N 2.94Å; E93-S97 PolarHBondContact O-OG 2.9Å; S97-K101 WeakPolarHBondContact O-CD 3.43Å; S97-K101 WeakPolarHBondContact O-CG 3.46Å; S97-K101 PolarHBondContact O-N 3.18Å
98R97.4Very high96.2Very high110 Ų11052.9 Ų52.942%0.41528%0.277SS..Hα-helixtrans-71.9-42.3173.5-72.7172.460.9-158.3-9.1111.3K69 L75 E94 C95 L96 V100 K101 L102K69-R98 PolarHBondContact O-NH2 3.44Å; L75-R98 HydrophobicContact CD1-CB 3.93Å; E94-R98 WeakPolarHBondContact O-CB 3.48Å; E94-R98 VanDerWaalsContact O-CG 3.3Å; E94-R98 WeakPolarHBondContact O-CG 3.37Å; E94-R98 PolarHBondContact O-N 3.4Å; E94-R98 VanDerWaalsContact O-N 3.1Å; C95-R98 PolarHBondContact O-N 2.69Å; L96-R98 VanDerWaalsContact C-N 3.25Å; L96-R98 PolarHBondContact O-N 3.47Å; R98-V100 PolarHBondContact O-N 3.26Å; R98-K101 PolarHBondContact O-N 3.49Å; R98-L102 WeakPolarHBondContact O-CG 3.44Å; R98-L102 PolarHBondContact O-N 3.3Å
99A97.1Very high96.4Very high0 Ų049.8 Ų49.80%026%0.264CS..Hα-helixtrans-56.9-51.2178.700000111.9L75 C95 L96 K101 L102 E103 L106L75-A99 HydrophobicContact CB-CB 3.9Å; C95-A99 PolarHBondContact O-N 3.16Å; L96-A99 WeakPolarHBondContact O-CB 3.47Å; L96-A99 PolarHBondContact O-N 2.79Å; L96-A99 VanDerWaalsContact O-N 3.13Å; A99-K101 VanDerWaalsContact C-N 3.27Å; A99-K101 PolarHBondContact O-N 3.11Å; A99-L102 PolarHBondContact O-N 2.96Å; A99-E103 PolarHBondContact O-N 2.91Å; A99-L106 HydrophobicContact CB-CD2 4.2Å
100V96.3Very high96.5Very high7 Ų751.3 Ų51.34%0.04227%0.265CS..Hα-helixtrans-70.2-20.6-179.7-57.90000113.7L96 R98 E103 P104 G109 W110 L113L96-V100 WeakPolarHBondContact O-CG2 3.45Å; L96-V100 PolarHBondContact O-N 2.94Å; R98-V100 PolarHBondContact O-N 3.26Å; V100-E103 CarbonylContact O-C 2.98Å; V100-P104 VanDerWaalsContact O-CA 3.25Å; V100-P104 WeakPolarHBondContact O-CA 3.48Å; V100-G109 VanDerWaalsContact CG1-C 3.47Å; V100-W110 HydrophobicContact CB-CD2 4.17Å; V100-W110 HydrophobicContact CB-CZ2 4.03Å; V100-W110 HydrophobicContact CG1-CD2 4Å; V100-W110 HydrophobicContact CG1-CG 4.02Å; V100-W110 HydrophobicContact CG2-CH2 4.23Å; V100-W110 HydrophobicContact CG2-CZ2 4.23Å; V100-W110 HydrophobicContact CG2-CZ3 4.4Å; V100-L113 HydrophobicContact CG2-CD2 3.98Å
101K96.3Very high96.6Very high166 Ų16647.9 Ų47.972%0.72224%0.244SC*.Hα-helixtrans-76-38.5171.9-77.9173.1-174.7175.80112S97 R98 A99S97-K101 WeakPolarHBondContact O-CD 3.43Å; S97-K101 WeakPolarHBondContact O-CG 3.46Å; S97-K101 PolarHBondContact O-N 3.18Å; R98-K101 PolarHBondContact O-N 3.49Å; A99-K101 VanDerWaalsContact C-N 3.27Å; A99-K101 PolarHBondContact O-N 3.11Å
102L96.7Very high96.6Very high99 Ų9945.2 Ų45.252%0.51823%0.228SC..Hα-helixtrans-71.2-40.8176.3-68.7170.1000110.9H70 A72 L75 R98 A99H70-L102 WeakPolarHBondContact O-CD1 3.27Å; A72-L102 HydrophobicContact CB-CB 3.97Å; L75-L102 HydrophobicContact CD1-CD1 3.7Å; R98-L102 WeakPolarHBondContact O-CG 3.44Å; R98-L102 PolarHBondContact O-N 3.3Å; A99-L102 PolarHBondContact O-N 2.96Å
103E96Very high96.6Very high97 Ų9745.5 Ų45.545%0.45323%0.229SC..  trans-133.288.7179.9-167.5174.8165.100111.2A72 A99 V100 G105 L106A72-E103 HydrophobicContact CB-CB 3.84Å; A99-E103 PolarHBondContact O-N 2.91Å; V100-E103 CarbonylContact O-C 2.98Å; E103-G105 PolarHBondContact O-N 3.15Å; E103-G105 VanDerWaalsContact O-N 3.13Å; E103-L106 HydrophobicContact CB-CB 4.22Å; E103-L106 HydrophobicContact CG-CB 4.21Å; E103-L106 WeakPolarHBondContact O-CB 3.46Å; E103-L106 PolarHBondContact O-N 3.2Å
104P94.3Very high96.6Very high70 Ų7044.2 Ų44.246%0.45522%0.223SC..THydrogen-bonded Turntrans-61.7-21.6-179.5-26.836000114.8V100 L106 W110 Q136V100-P104 VanDerWaalsContact O-CA 3.25Å; V100-P104 WeakPolarHBondContact O-CA 3.48Å; P104-L106 VanDerWaalsContact C-N 3.25Å; P104-L106 PolarHBondContact O-N 3.23Å; P104-W110 PolarHBondContact O-NE1 2.75Å; P104-Q136 WeakPolarHBondContact O-CG 3.49Å
105G95.1Very high96.6Very high42 Ų4241.6 Ų41.643%0.43321%0.211SC..THydrogen-bonded Turntrans-77.3-4.7175.900000114.5E103 V107E103-G105 PolarHBondContact O-N 3.15Å; E103-G105 VanDerWaalsContact O-N 3.13Å; G105-V107 PolarHBondContact O-N 3.25Å
106L95.4Very high96.5Very high27 Ų2741.3 Ų41.314%0.14121%0.209CC..  trans-76.482.5-176.4-166.964.3000111.6A72 L76 A99 E103 P104 E108 G109 W110A72-L106 HydrophobicContact CB-CD2 4.48Å; L76-L106 HydrophobicContact CB-CD2 4.01Å; L76-L106 HydrophobicContact CD2-CD1 3.96Å; L76-L106 HydrophobicContact CD2-CD2 3.94Å; L76-L106 HydrophobicContact CD2-CG 4.09Å; L76-L106 HydrophobicContact CG-CD2 4.4Å; A99-L106 HydrophobicContact CB-CD2 4.2Å; E103-L106 HydrophobicContact CB-CB 4.22Å; E103-L106 HydrophobicContact CG-CB 4.21Å; E103-L106 WeakPolarHBondContact O-CB 3.46Å; E103-L106 PolarHBondContact O-N 3.2Å; P104-L106 VanDerWaalsContact C-N 3.25Å; P104-L106 PolarHBondContact O-N 3.23Å; L106-E108 VanDerWaalsContact C-N 3.31Å; L106-E108 PolarHBondContact O-N 3.17Å; L106-G109 PolarHBondContact O-N 3.27Å; L106-W110 PolarHBondContact O-N 3.23Å
107V96.9Very high96.5Very high24 Ų2442.8 Ų42.815%0.14522%0.215CC..Hα-helixtrans-53.7-43.9-176.3175.30000112.7G105 G109 W110 N111 A133 Q136 K137 N139G105-V107 PolarHBondContact O-N 3.25Å; V107-G109 VanDerWaalsContact C-N 3.32Å; V107-G109 PolarHBondContact O-N 3.43Å; V107-W110 PolarHBondContact O-N 3.36Å; V107-N111 PolarHBondContact O-N 3.23Å; V107-N111 VanDerWaalsContact O-N 3.08Å; V107-N111 PolarHBondContact O-ND2 3.19Å; V107-A133 HydrophobicContact CG1-CB 4.3Å; V107-Q136 HydrophobicContact CG2-CB 4.03Å; V107-K137 HydrophobicContact CG2-CB 3.77Å; V107-N139 HydrophobicContact CG1-CB 4.33Å; V107-N139 WeakPolarHBondContact CG1-ND2 3.38Å
108E96.1Very high96.3Very high69 Ų6943 Ų4332%0.32221%0.212SC..Hα-helixtrans-62.5-40.4179-170.4178.1172.800111.3L76 R80 L106 W110 N111 I112L76-E108 HydrophobicContact CD1-CB 4.42Å; L76-E108 HydrophobicContact CD1-CG 4.23Å; L76-E108 HydrophobicContact CD2-CB 4.16Å; L76-E108 HydrophobicContact CD2-CG 4.3Å; R80-E108 VanDerWaalsContact CD-OE1 3.32Å; R80-E108 WeakPolarHBondContact CD-OE1 3.49Å; R80-E108 IonicContact CZ-OE1 2.67Å; R80-E108 IonicContact NE-OE1 3.52Å; R80-E108 IonicContact NH1-OE1 2.64Å; R80-E108 PolarHBondContact NH1-OE1 2.64Å; L106-E108 VanDerWaalsContact C-N 3.31Å; L106-E108 PolarHBondContact O-N 3.17Å; E108-W110 VanDerWaalsContact C-N 3.35Å; E108-W110 PolarHBondContact O-N 3.4Å; E108-N111 PolarHBondContact O-N 3.32Å; E108-N111 VanDerWaalsContact O-N 3.16Å; E108-I112 HydrophobicContact CG-CD1 3.79Å; E108-I112 HydrophobicContact CG-CG1 4.39Å; E108-I112 WeakPolarHBondContact O-CG1 3.38Å; E108-I112 PolarHBondContact O-N 3.02Å
109G96.9Very high96.1Very high0 Ų039.5 Ų39.50%020%0.2CC..Hα-helixtrans-61.3-41.3175.900000113L76 V100 L106 V107 L113L76-G109 VanDerWaalsContact CD1-CA 3.48Å; V100-G109 VanDerWaalsContact CG1-C 3.47Å; L106-G109 PolarHBondContact O-N 3.27Å; V107-G109 VanDerWaalsContact C-N 3.32Å; V107-G109 PolarHBondContact O-N 3.43Å; G109-L113 WeakPolarHBondContact O-CB 3.39Å; G109-L113 PolarHBondContact O-N 3.15Å
110W98.1Very high96Very high58 Ų5844.4 Ų44.422%0.2222%0.221CC..Hα-helixtrans-64.2-39.2174.1-74.6106.9000112.8V100 P104 L106 V107 E108 G114 C129 A133V100-W110 HydrophobicContact CB-CD2 4.17Å; V100-W110 HydrophobicContact CB-CZ2 4.03Å; V100-W110 HydrophobicContact CG1-CD2 4Å; V100-W110 HydrophobicContact CG1-CG 4.02Å; V100-W110 HydrophobicContact CG2-CH2 4.23Å; V100-W110 HydrophobicContact CG2-CZ2 4.23Å; V100-W110 HydrophobicContact CG2-CZ3 4.4Å; P104-W110 PolarHBondContact O-NE1 2.75Å; L106-W110 PolarHBondContact O-N 3.23Å; V107-W110 PolarHBondContact O-N 3.36Å; E108-W110 VanDerWaalsContact C-N 3.35Å; E108-W110 PolarHBondContact O-N 3.4Å; W110-G114 PolarHBondContact O-N 3.32Å; W110-C129 HydrophobicContact CE3-CB 4.25Å; W110-C129 WeakPolarHBondContact O-CB 3.5Å; W110-A133 HydrophobicContact CB-CB 3.64Å; W110-A133 HydrophobicContact CG-CB 4.43Å
111N97.4Very high95.8Very high6 Ų646.6 Ų46.63%0.03225%0.246CC..Hα-helixtrans-65.5-51.5178.4-73.2-27.5000111.6V107 E108 L113 G114 E115 F130 A133 N139 V141 S142V107-N111 PolarHBondContact O-N 3.23Å; V107-N111 VanDerWaalsContact O-N 3.08Å; V107-N111 PolarHBondContact O-ND2 3.19Å; E108-N111 PolarHBondContact O-N 3.32Å; E108-N111 VanDerWaalsContact O-N 3.16Å; N111-L113 VanDerWaalsContact C-N 3.3Å; N111-L113 PolarHBondContact O-N 2.66Å; N111-G114 WeakPolarHBondContact O-CA 3.36Å; N111-G114 PolarHBondContact O-N 2.76Å; N111-E115 PolarHBondContact O-N 2.78Å; N111-F130 VanDerWaalsContact O-CE1 3.22Å; N111-F130 WeakPolarHBondContact O-CE1 3.33Å; N111-A133 WeakPolarHBondContact OD1-CB 3.19Å; N111-N139 PolarHBondContact ND2-OD1 3.13Å; N111-V141 HydrophobicContact CB-CG1 3.89Å; N111-S142 VanDerWaalsContact CG-OG 3.31Å; N111-S142 PolarHBondContact ND2-OG 3.05Å; N111-S142 WeakPolarHBondContact OD1-CB 3.2Å; N111-S142 PolarHBondContact OD1-OG 3.1Å
112I96.4Very high95.7Very high8 Ų841.4 Ų41.44%0.04123%0.226CC..Hα-helixtrans-67.4-35.6-177.8-57.3171.5000110.4L76 R80 L96 E108 G114 E115 Q116L76-I112 HydrophobicContact CD1-CD1 3.9Å; R80-I112 HydrophobicContact CB-CD1 3.65Å; R80-I112 HydrophobicContact CG-CD1 3.61Å; L96-I112 HydrophobicContact CD1-CB 4.12Å; L96-I112 HydrophobicContact CD1-CG2 3.51Å; L96-I112 HydrophobicContact CD2-CB 4.02Å; L96-I112 HydrophobicContact CD2-CG2 3.96Å; L96-I112 HydrophobicContact CG-CG2 4.39Å; E108-I112 HydrophobicContact CG-CD1 3.79Å; E108-I112 HydrophobicContact CG-CG1 4.39Å; E108-I112 WeakPolarHBondContact O-CG1 3.38Å; E108-I112 PolarHBondContact O-N 3.02Å; I112-G114 VanDerWaalsContact C-N 3.32Å; I112-G114 PolarHBondContact O-N 2.97Å; I112-E115 PolarHBondContact O-N 2.74Å; I112-Q116 WeakPolarHBondContact O-CG 3.33Å; I112-Q116 PolarHBondContact O-N 3.18Å
113L97.6Very high95.6Very high6 Ų637.9 Ų37.93%0.03121%0.207CC..Hα-helixtrans-61.9-41.6171.9-17760.1000111.6E93 L96 V100 G109 N111 E115 Q116 Y117E93-L113 HydrophobicContact CG-CD1 4.13Å; L96-L113 HydrophobicContact CB-CB 4.03Å; L96-L113 HydrophobicContact CB-CD1 3.97Å; L96-L113 HydrophobicContact CB-CG 4.5Å; V100-L113 HydrophobicContact CG2-CD2 3.98Å; G109-L113 WeakPolarHBondContact O-CB 3.39Å; G109-L113 PolarHBondContact O-N 3.15Å; N111-L113 VanDerWaalsContact C-N 3.3Å; N111-L113 PolarHBondContact O-N 2.66Å; L113-E115 VanDerWaalsContact C-N 3.33Å; L113-E115 PolarHBondContact O-N 2.95Å; L113-Q116 PolarHBondContact O-N 3.3Å; L113-Y117 HydrophobicContact CD1-CD2 4.16Å; L113-Y117 HydrophobicContact CD1-CE2 3.63Å; L113-Y117 HydrophobicContact CD2-CE2 4.19Å; L113-Y117 HydrophobicContact CG-CD2 4Å; L113-Y117 HydrophobicContact CG-CE2 3.67Å; L113-Y117 VanDerWaalsContact O-CD2 3.26Å; L113-Y117 WeakPolarHBondContact O-CD2 3.34Å; L113-Y117 PolarHBondContact O-N 2.76Å
114G97.2Very high95.5Very high0 Ų037.5 Ų37.50%021%0.212CC..Hα-helixtrans-61-40.4174.400000112.7W110 N111 I112 Y117 W118 A126W110-G114 PolarHBondContact O-N 3.32Å; N111-G114 WeakPolarHBondContact O-CA 3.36Å; N111-G114 PolarHBondContact O-N 2.76Å; I112-G114 VanDerWaalsContact C-N 3.32Å; I112-G114 PolarHBondContact O-N 2.97Å; G114-Y117 PolarHBondContact O-N 3.34Å; G114-W118 PolarHBondContact O-N 2.86Å; G114-A126 WeakPolarHBondContact O-CB 3.45Å
115E95.5Very high95.6Very high58 Ų5836.3 Ų36.327%0.27120%0.203SC..Hα-helixtrans-64.7-36.5173.6-70.1169.4-16300112.2N111 I112 L113 W118 K119 F130N111-E115 PolarHBondContact O-N 2.78Å; I112-E115 PolarHBondContact O-N 2.74Å; L113-E115 VanDerWaalsContact C-N 3.33Å; L113-E115 PolarHBondContact O-N 2.95Å; E115-W118 VanDerWaalsContact O-CB 3.3Å; E115-W118 WeakPolarHBondContact O-CB 3.32Å; E115-W118 PolarHBondContact O-N 2.92Å; E115-K119 WeakPolarHBondContact O-CG 3.49Å; E115-K119 PolarHBondContact O-N 3.49Å; E115-F130 HydrophobicContact CG-CE1 4.35Å; E115-F130 HydrophobicContact CG-CZ 4.21Å
116Q96.3Very high95.7Very high0 Ų034.3 Ų34.30%018%0.183CC..Hα-helixtrans-65-42.6172.7-68.3-55.3-57.300111.9F88 S89 A92 L96 I112 L113 W118 K119 K120F88-Q116 WeakPolarHBondContact CD2-O 3.11Å; S89-Q116 VanDerWaalsContact N-OE1 3.1Å; A92-Q116 HydrophobicContact CB-CG 4.09Å; L96-Q116 HydrophobicContact CD1-CG 3.81Å; I112-Q116 WeakPolarHBondContact O-CG 3.33Å; I112-Q116 PolarHBondContact O-N 3.18Å; L113-Q116 PolarHBondContact O-N 3.3Å; Q116-W118 VanDerWaalsContact C-N 3.29Å; Q116-W118 PolarHBondContact O-N 3.17Å; Q116-K119 PolarHBondContact O-N 3.1Å; Q116-K120 WeakPolarHBondContact O-CB 3.19Å; Q116-K120 PolarHBondContact O-N 2.88Å
117Y96.2Very high95.8Very high31 Ų3136.5 Ų36.512%0.12219%0.191CC..Hα-helixtrans-65.1-33.6174-76.3-60.1000112.7E93 L113 G114 K120 G121 D122 T125E93-Y117 HydrophobicContact CG-CE1 4.39Å; E93-Y117 VanDerWaalsContact OE1-CE1 3.26Å; E93-Y117 WeakPolarHBondContact OE1-CE1 3.18Å; E93-Y117 PolarHBondContact OE1-OH 3.49Å; L113-Y117 HydrophobicContact CD1-CD2 4.16Å; L113-Y117 HydrophobicContact CD1-CE2 3.63Å; L113-Y117 HydrophobicContact CD2-CE2 4.19Å; L113-Y117 HydrophobicContact CG-CD2 4Å; L113-Y117 HydrophobicContact CG-CE2 3.67Å; L113-Y117 VanDerWaalsContact O-CD2 3.26Å; L113-Y117 WeakPolarHBondContact O-CD2 3.34Å; L113-Y117 PolarHBondContact O-N 2.76Å; G114-Y117 PolarHBondContact O-N 3.34Å; Y117-K120 HydrophobicContact CD1-CD 4.14Å; Y117-K120 HydrophobicContact CE1-CD 4.4Å; Y117-K120 WeakPolarHBondContact O-CB 3.34Å; Y117-K120 PolarHBondContact O-N 2.94Å; Y117-G121 PolarHBondContact O-N 3.19Å; Y117-D122 HydrophobicContact CD1-CB 4.25Å; Y117-D122 CarbonylContact O-C 3.55Å; Y117-D122 PolarHBondContact O-N 2.92Å; Y117-T125 HydrophobicContact CD1-CG2 3.82Å; Y117-T125 HydrophobicContact CD2-CG2 3.47Å; Y117-T125 VanDerWaalsContact CD2-CG2 3.47Å; Y117-T125 HydrophobicContact CE1-CG2 3.86Å; Y117-T125 HydrophobicContact CE2-CG2 3.45Å; Y117-T125 VanDerWaalsContact CE2-CG2 3.45Å; Y117-T125 HydrophobicContact CG-CG2 3.66Å
118W93.8Very high95.8Very high25 Ų2539.6 Ų39.610%0.09521%0.21CC..Hα-helixtrans-59.6-52.2170.8-176.8-94.7000111.6G114 E115 Q116 K120 G121 L123 A126 M148 V149 Q152G114-W118 PolarHBondContact O-N 2.86Å; E115-W118 VanDerWaalsContact O-CB 3.3Å; E115-W118 WeakPolarHBondContact O-CB 3.32Å; E115-W118 PolarHBondContact O-N 2.92Å; Q116-W118 VanDerWaalsContact C-N 3.29Å; Q116-W118 PolarHBondContact O-N 3.17Å; W118-K120 PolarHBondContact O-N 3.5Å; W118-G121 WeakPolarHBondContact O-CA 3.48Å; W118-G121 PolarHBondContact O-N 3.44Å; W118-L123 HydrophobicContact CD2-CD2 4.09Å; W118-L123 HydrophobicContact CE3-CD2 3.44Å; W118-L123 VanDerWaalsContact CE3-CD2 3.44Å; W118-L123 HydrophobicContact CH2-CD2 4.33Å; W118-L123 HydrophobicContact CZ3-CD1 4.48Å; W118-L123 HydrophobicContact CZ3-CD2 3.51Å; W118-L123 HydrophobicContact CZ3-CG 4.45Å; W118-A126 HydrophobicContact CB-CB 4.43Å; W118-M148 HydrophobicContact CH2-CB 4.24Å; W118-M148 HydrophobicContact CZ2-CB 4.43Å; W118-V149 HydrophobicContact CE3-CB 4.35Å; W118-V149 HydrophobicContact CE3-CG2 3.42Å; W118-V149 VanDerWaalsContact CE3-CG2 3.42Å; W118-V149 HydrophobicContact CH2-CG2 4.24Å; W118-V149 HydrophobicContact CZ3-CB 3.72Å; W118-V149 HydrophobicContact CZ3-CG1 4.14Å; W118-V149 HydrophobicContact CZ3-CG2 3.25Å; W118-Q152 HydrophobicContact CH2-CB 3.86Å; W118-Q152 HydrophobicContact CH2-CG 3.84Å; W118-Q152 HydrophobicContact CZ2-CG 4.35Å; W118-Q152 HydrophobicContact CZ3-CB 4.49Å
119K92.9Very high95.9Very high36 Ų3636.6 Ų36.616%0.15720%0.197CC..Hα-helixtrans-59.6-32.6176.6-69.9172.4176.6-172.40112.6G83 A85 P86 F88 E115 Q116 G121G83-K119 PolarHBondContact O-NZ 2.96Å; A85-K119 PolarHBondContact O-NZ 2.96Å; P86-K119 VanDerWaalsContact O-CD 3.28Å; P86-K119 WeakPolarHBondContact O-CD 3.48Å; P86-K119 WeakPolarHBondContact O-CE 3.16Å; P86-K119 WeakPolarHBondContact O-CG 3.4Å; F88-K119 HydrophobicContact CB-CB 4.02Å; E115-K119 WeakPolarHBondContact O-CG 3.49Å; E115-K119 PolarHBondContact O-N 3.49Å; Q116-K119 PolarHBondContact O-N 3.1Å; K119-G121 PolarHBondContact O-N 3.16Å
120K94.4Very high95.9Very high103 Ų10336.7 Ų36.745%0.44820%0.197SC..THydrogen-bonded Turntrans-72.2-14.1173.8-164.7177.6-172.9167.40113.5F88 E93 Q116 Y117 W118 D122F88-K120 HydrophobicContact CD1-CG 4.49Å; F88-K120 HydrophobicContact CD2-CB 3.77Å; F88-K120 HydrophobicContact CD2-CD 4.44Å; F88-K120 HydrophobicContact CD2-CG 4.26Å; F88-K120 HydrophobicContact CE1-CD 4.47Å; F88-K120 HydrophobicContact CE1-CG 4.45Å; F88-K120 HydrophobicContact CE2-CB 4.06Å; F88-K120 HydrophobicContact CE2-CD 3.91Å; F88-K120 HydrophobicContact CE2-CG 4.2Å; F88-K120 HydrophobicContact CG-CB 4.1Å; F88-K120 HydrophobicContact CG-CG 4.4Å; F88-K120 HydrophobicContact CZ-CD 3.94Å; F88-K120 HydrophobicContact CZ-CG 4.31Å; E93-K120 IonicContact OE1-NZ 3.51Å; E93-K120 PolarHBondContact OE1-NZ 3.43Å; E93-K120 IonicContact OE2-NZ 2.65Å; E93-K120 PolarHBondContact OE2-NZ 3.42Å; Q116-K120 WeakPolarHBondContact O-CB 3.19Å; Q116-K120 PolarHBondContact O-N 2.88Å; Y117-K120 HydrophobicContact CD1-CD 4.14Å; Y117-K120 HydrophobicContact CE1-CD 4.4Å; Y117-K120 WeakPolarHBondContact O-CB 3.34Å; Y117-K120 PolarHBondContact O-N 2.94Å; W118-K120 PolarHBondContact O-N 3.5Å; K120-D122 VanDerWaalsContact C-N 3.33Å
121G92.1Very high95.9Very high54 Ų5436.3 Ų36.356%0.55720%0.201SC*.THydrogen-bonded Turntrans82.24.7-173.300000114.6Y117 W118 K119 L123Y117-G121 PolarHBondContact O-N 3.19Å; W118-G121 WeakPolarHBondContact O-CA 3.48Å; W118-G121 PolarHBondContact O-N 3.44Å; K119-G121 PolarHBondContact O-N 3.16Å; G121-L123 PolarHBondContact O-N 3.16Å; G121-L123 VanDerWaalsContact O-N 3.13Å
122D94.8Very high95.7Very high57 Ų5736.6 Ų36.631%0.30521%0.205SC..  trans-87.776.1176.2-172.3-6.5000111Y117 K120 T124 T125 A126Y117-D122 HydrophobicContact CD1-CB 4.25Å; Y117-D122 CarbonylContact O-C 3.55Å; Y117-D122 PolarHBondContact O-N 2.92Å; K120-D122 VanDerWaalsContact C-N 3.33Å; D122-T124 PolarHBondContact O-N 3.29Å; D122-T124 PolarHBondContact OD1-N 2.96Å; D122-T125 VanDerWaalsContact CG-CB 3.48Å; D122-T125 PolarHBondContact O-N 3.21Å; D122-T125 PolarHBondContact OD1-N 3.06Å; D122-T125 PolarHBondContact OD1-OG1 3.3Å; D122-T125 VanDerWaalsContact OD2-CB 3.23Å; D122-T125 WeakPolarHBondContact OD2-CB 3.48Å; D122-T125 PolarHBondContact OD2-OG1 3.08Å; D122-A126 WeakPolarHBondContact O-CB 3.38Å; D122-A126 PolarHBondContact O-N 3.46Å
123L93.9Very high95.8Very high24 Ų2436.2 Ų36.213%0.12620%0.203CC..Hα-helixtrans-62.8-26.7-177.4-52.3-167.1000113W118 G121 K127 V149 Q152 L153W118-L123 HydrophobicContact CD2-CD2 4.09Å; W118-L123 HydrophobicContact CE3-CD2 3.44Å; W118-L123 VanDerWaalsContact CE3-CD2 3.44Å; W118-L123 HydrophobicContact CH2-CD2 4.33Å; W118-L123 HydrophobicContact CZ3-CD1 4.48Å; W118-L123 HydrophobicContact CZ3-CD2 3.51Å; W118-L123 HydrophobicContact CZ3-CG 4.45Å; G121-L123 PolarHBondContact O-N 3.16Å; G121-L123 VanDerWaalsContact O-N 3.13Å; L123-K127 WeakPolarHBondContact O-CB 3.31Å; L123-K127 PolarHBondContact O-N 3.45Å; L123-V149 HydrophobicContact CB-CG1 4.43Å; L123-V149 WeakPolarHBondContact O-CG1 3.48Å; L123-Q152 HydrophobicContact CD1-CB 3.91Å; L123-Q152 WeakPolarHBondContact CD1-O 3.38Å; L123-L153 HydrophobicContact CB-CD2 3.7Å
124T94.8Very high95.7Very high90 Ų9037.9 Ų37.955%0.55221%0.212SC*.Hα-helixtrans-73.7-44.7-178.8-56.90000110.4D122 K127 T128D122-T124 PolarHBondContact O-N 3.29Å; D122-T124 PolarHBondContact OD1-N 2.96Å; T124-K127 PolarHBondContact O-N 3.05Å; T124-T128 PolarHBondContact O-N 3.32Å; T124-T128 VanDerWaalsContact O-N 3.13Å; T124-T128 PolarHBondContact O-OG1 3.49Å
125T96.1Very high95.6Very high45 Ų4545 Ų4528%0.27625%0.246SC..Hα-helixtrans-69.3-38.9175.7-54.60000110.8Y117 D122 K127 T128 C129Y117-T125 HydrophobicContact CD1-CG2 3.82Å; Y117-T125 HydrophobicContact CD2-CG2 3.47Å; Y117-T125 VanDerWaalsContact CD2-CG2 3.47Å; Y117-T125 HydrophobicContact CE1-CG2 3.86Å; Y117-T125 HydrophobicContact CE2-CG2 3.45Å; Y117-T125 VanDerWaalsContact CE2-CG2 3.45Å; Y117-T125 HydrophobicContact CG-CG2 3.66Å; D122-T125 VanDerWaalsContact CG-CB 3.48Å; D122-T125 PolarHBondContact O-N 3.21Å; D122-T125 PolarHBondContact OD1-N 3.06Å; D122-T125 PolarHBondContact OD1-OG1 3.3Å; D122-T125 VanDerWaalsContact OD2-CB 3.23Å; D122-T125 WeakPolarHBondContact OD2-CB 3.48Å; D122-T125 PolarHBondContact OD2-OG1 3.08Å; T125-K127 PolarHBondContact O-N 3.13Å; T125-T128 WeakPolarHBondContact O-CA 3.47Å; T125-T128 WeakPolarHBondContact O-CB 3.18Å; T125-T128 PolarHBondContact O-N 2.72Å; T125-C129 PolarHBondContact O-N 2.98Å; T125-C129 PolarHBondContact O-SG 3.31Å; T125-C129 VanDerWaalsContact O-SG 3.39Å
126A97.1Very high95.6Very high0 Ų047 Ų470%026%0.255CS..Hα-helixtrans-55.2-48.7172.400000112.1G114 W118 D122 T128 C129 F130 V149G114-A126 WeakPolarHBondContact O-CB 3.45Å; W118-A126 HydrophobicContact CB-CB 4.43Å; D122-A126 WeakPolarHBondContact O-CB 3.38Å; D122-A126 PolarHBondContact O-N 3.46Å; A126-T128 VanDerWaalsContact C-N 3.26Å; A126-T128 PolarHBondContact O-N 2.97Å; A126-C129 WeakPolarHBondContact O-CB 3.28Å; A126-C129 PolarHBondContact O-N 3.35Å; A126-F130 HydrophobicContact CB-CE2 4.04Å; A126-F130 WeakPolarHBondContact O-CD2 3.32Å; A126-F130 WeakPolarHBondContact O-CG 3.41Å; A126-F130 PolarHBondContact O-N 2.99Å; A126-V149 HydrophobicContact CB-CG2 4.32Å
127K96.8Very high95.5Very high73 Ų7353.9 Ų53.932%0.31729%0.285SS..Hα-helixtrans-54.8-43.8174.1-173.7-174.5-179.81740111.8L123 T124 T125 F130 T131 L146 V149 L153L123-K127 WeakPolarHBondContact O-CB 3.31Å; L123-K127 PolarHBondContact O-N 3.45Å; T124-K127 PolarHBondContact O-N 3.05Å; T125-K127 PolarHBondContact O-N 3.13Å; K127-F130 PolarHBondContact O-N 3.03Å; K127-T131 WeakPolarHBondContact O-CB 3.47Å; K127-T131 PolarHBondContact O-N 2.97Å; K127-T131 PolarHBondContact O-OG1 3.18Å; K127-L146 HydrophobicContact CG-CD2 3.91Å; K127-V149 HydrophobicContact CB-CG1 3.86Å; K127-L153 HydrophobicContact CD-CD1 3.97Å
128T97.2Very high95.6Very high89 Ų8957.4 Ų57.455%0.54630%0.301SS..Hα-helixtrans-63.4-44.2-178.9-56.60000110.9T124 T125 A126 T131 G132T124-T128 PolarHBondContact O-N 3.32Å; T124-T128 VanDerWaalsContact O-N 3.13Å; T124-T128 PolarHBondContact O-OG1 3.49Å; T125-T128 WeakPolarHBondContact O-CA 3.47Å; T125-T128 WeakPolarHBondContact O-CB 3.18Å; T125-T128 PolarHBondContact O-N 2.72Å; A126-T128 VanDerWaalsContact C-N 3.26Å; A126-T128 PolarHBondContact O-N 2.97Å; T128-T131 PolarHBondContact O-N 3.48Å; T128-G132 PolarHBondContact O-N 3.34Å
129C97.8Very high95.7Very high5 Ų557.4 Ų57.43%0.03430%0.302CS..Hα-helixtrans-59.8-51.4176.1-67.50000112.3W110 T125 A126 T131 G132 A133W110-C129 HydrophobicContact CE3-CB 4.25Å; W110-C129 WeakPolarHBondContact O-CB 3.5Å; T125-C129 PolarHBondContact O-N 2.98Å; T125-C129 PolarHBondContact O-SG 3.31Å; T125-C129 VanDerWaalsContact O-SG 3.39Å; A126-C129 WeakPolarHBondContact O-CB 3.28Å; A126-C129 PolarHBondContact O-N 3.35Å; C129-T131 VanDerWaalsContact C-N 3.33Å; C129-T131 PolarHBondContact O-N 2.95Å; C129-G132 PolarHBondContact O-N 2.93Å; C129-G132 VanDerWaalsContact O-N 3.17Å; C129-A133 PolarHBondContact O-N 3.44Å
130F97.9Very high96Very high3 Ų358.5 Ų58.51%0.01331%0.307CS..Hα-helixtrans-67-33.7-179.7-56.3-54000112.9N111 E115 A126 K127 A133 L134 S145 L146 V149N111-F130 VanDerWaalsContact O-CE1 3.22Å; N111-F130 WeakPolarHBondContact O-CE1 3.33Å; E115-F130 HydrophobicContact CG-CE1 4.35Å; E115-F130 HydrophobicContact CG-CZ 4.21Å; A126-F130 HydrophobicContact CB-CE2 4.04Å; A126-F130 WeakPolarHBondContact O-CD2 3.32Å; A126-F130 WeakPolarHBondContact O-CG 3.41Å; A126-F130 PolarHBondContact O-N 2.99Å; K127-F130 PolarHBondContact O-N 3.03Å; F130-A133 WeakPolarHBondContact O-CB 3.37Å; F130-A133 PolarHBondContact O-N 3.26Å; F130-L134 PolarHBondContact O-N 2.9Å; F130-L134 VanDerWaalsContact O-N 3.16Å; F130-S145 VanDerWaalsContact CE2-CB 3.5Å; F130-L146 HydrophobicContact CB-CD1 4.35Å; F130-L146 HydrophobicContact CB-CD2 3.68Å; F130-L146 HydrophobicContact CB-CG 3.56Å; F130-L146 HydrophobicContact CD2-CD2 4.46Å; F130-V149 HydrophobicContact CD2-CG2 3.88Å; F130-V149 HydrophobicContact CE2-CG2 3.63Å
131T96.9Very high96.1Very high50 Ų5055.5 Ų55.531%0.30730%0.297SS..Hα-helixtrans-65-42.7172.7-55.30000110.7K127 T128 C129 A133 L134 Q135K127-T131 WeakPolarHBondContact O-CB 3.47Å; K127-T131 PolarHBondContact O-N 2.97Å; K127-T131 PolarHBondContact O-OG1 3.18Å; T128-T131 PolarHBondContact O-N 3.48Å; C129-T131 VanDerWaalsContact C-N 3.33Å; C129-T131 PolarHBondContact O-N 2.95Å; T131-A133 PolarHBondContact O-N 3.39Å; T131-L134 PolarHBondContact O-N 3.2Å; T131-Q135 WeakPolarHBondContact O-CG 3.3Å; T131-Q135 PolarHBondContact O-N 3.31Å; T131-Q135 VanDerWaalsContact O-N 3.07Å
132G95.2Very high96.4Very high11 Ų1152.9 Ų52.911%0.11327%0.271CS..Hα-helixtrans-59.4-44174.500000112.4T128 C129 L134 Q135 Q136T128-G132 PolarHBondContact O-N 3.34Å; C129-G132 PolarHBondContact O-N 2.93Å; C129-G132 VanDerWaalsContact O-N 3.17Å; G132-L134 VanDerWaalsContact C-N 3.33Å; G132-L134 PolarHBondContact O-N 3.03Å; G132-Q135 WeakPolarHBondContact O-CB 3.14Å; G132-Q135 PolarHBondContact O-N 3.22Å; G132-Q135 VanDerWaalsContact O-N 3.17Å; G132-Q136 PolarHBondContact O-N 3.41Å
133A97Very high96.5Very high0 Ų050.3 Ų50.30%026%0.257CS..Hα-helixtrans-56.9-44.317500000112.4V107 W110 N111 C129 F130 T131 Q135 Q136 K137 S142V107-A133 HydrophobicContact CG1-CB 4.3Å; W110-A133 HydrophobicContact CB-CB 3.64Å; W110-A133 HydrophobicContact CG-CB 4.43Å; N111-A133 WeakPolarHBondContact OD1-CB 3.19Å; C129-A133 PolarHBondContact O-N 3.44Å; F130-A133 WeakPolarHBondContact O-CB 3.37Å; F130-A133 PolarHBondContact O-N 3.26Å; T131-A133 PolarHBondContact O-N 3.39Å; A133-Q135 VanDerWaalsContact C-N 3.35Å; A133-Q135 PolarHBondContact O-N 2.98Å; A133-Q136 PolarHBondContact O-N 3.13Å; A133-K137 PolarHBondContact O-N 3.49Å; A133-S142 WeakPolarHBondContact CB-OG 3.36Å
134L96.4Very high96.7Very high42 Ų4251 Ų5122%0.2226%0.258CS..Hα-helixtrans-68.8-29.1177.9-72.7-176.8000114.1F130 T131 G132 Q136 L143 L146F130-L134 PolarHBondContact O-N 2.9Å; F130-L134 VanDerWaalsContact O-N 3.16Å; T131-L134 PolarHBondContact O-N 3.2Å; G132-L134 VanDerWaalsContact C-N 3.33Å; G132-L134 PolarHBondContact O-N 3.03Å; L134-Q136 VanDerWaalsContact C-N 3.28Å; L134-L143 HydrophobicContact CD1-CD2 3.8Å; L134-L143 HydrophobicContact CD1-CG 4.34Å; L134-L143 HydrophobicContact CD2-CD2 4.24Å; L134-L143 HydrophobicContact CD2-CG 4.03Å; L134-L146 HydrophobicContact CD1-CD1 3.4Å; L134-L146 VanDerWaalsContact CD1-CD1 3.4Å; L134-L146 HydrophobicContact CG-CD1 4.39Å
135Q95.3Very high96.8Very high150 Ų15047.2 Ų47.270%0.70124%0.235SC*.Hα-helixtrans-66.3-32.6173.1-71.3173.2-0.300111.7T131 G132 A133T131-Q135 WeakPolarHBondContact O-CG 3.3Å; T131-Q135 PolarHBondContact O-N 3.31Å; T131-Q135 VanDerWaalsContact O-N 3.07Å; G132-Q135 WeakPolarHBondContact O-CB 3.14Å; G132-Q135 PolarHBondContact O-N 3.22Å; G132-Q135 VanDerWaalsContact O-N 3.17Å; A133-Q135 VanDerWaalsContact C-N 3.35Å; A133-Q135 PolarHBondContact O-N 2.98Å
136Q94.3Very high96.9Very high99 Ų9945.6 Ų45.646%0.46323%0.225SC..Hα-helixtrans-75.5-52.6175.2-55.9-53.2-37.900111.3P104 V107 G132 A133 L134P104-Q136 WeakPolarHBondContact O-CG 3.49Å; V107-Q136 HydrophobicContact CG2-CB 4.03Å; G132-Q136 PolarHBondContact O-N 3.41Å; A133-Q136 PolarHBondContact O-N 3.13Å; L134-Q136 VanDerWaalsContact C-N 3.28Å
137K95.9Very high96.9Very high145 Ų14545.6 Ų45.663%0.6323%0.225SC*.  trans-157.3130.5179.9-173.2-178.9174.8-178.50111V107 A133 N139V107-K137 HydrophobicContact CG2-CB 3.77Å; A133-K137 PolarHBondContact O-N 3.49Å; K137-N139 PolarHBondContact O-N 2.89Å; K137-N139 PolarHBondContact O-ND2 2.65Å
138K96.4Very high96.8Very high105 Ų10543.3 Ų43.346%0.45722%0.216SC..  trans-59.8125.3170.6-169.1176.4-172.91730110.3L143 Q172 L176K138-L143 HydrophobicContact CG-CD1 4.34Å; K138-Q172 VanDerWaalsContact CE-OE1 3.28Å; K138-L176 HydrophobicContact CG-CD1 4.23Å
139N97.6Very high96.6Very high24 Ų2439.1 Ų39.113%0.12819%0.19CC..  trans-150.7155.2-178.371.190.4000110.9V107 N111 K137 V141 S142 L143V107-N139 HydrophobicContact CG1-CB 4.33Å; V107-N139 WeakPolarHBondContact CG1-ND2 3.38Å; N111-N139 PolarHBondContact ND2-OD1 3.13Å; K137-N139 PolarHBondContact O-N 2.89Å; K137-N139 PolarHBondContact O-ND2 2.65Å; N139-V141 PolarHBondContact OD1-N 3.36Å; N139-S142 VanDerWaalsContact CG-OG 3.29Å; N139-S142 PolarHBondContact ND2-OG 2.75Å; N139-S142 PolarHBondContact OD1-N 2.86Å; N139-S142 PolarHBondContact OD1-OG 3.24Å; N139-L143 WeakPolarHBondContact O-CD1 3.33Å; N139-L143 WeakPolarHBondContact O-CG 3.38Å; N139-L143 PolarHBondContact O-N 3.37Å
140K97.3Very high96.4Very high59 Ų5939.2 Ų39.226%0.25719%0.19SC..Hα-helixtrans-68.6-36-175.168177.9-179.4173.20113.1L143 R144 L176 D177 D180K140-L143 PolarHBondContact O-N 3.46Å; K140-R144 VanDerWaalsContact O-CG 3.31Å; K140-R144 WeakPolarHBondContact O-CG 3.43Å; K140-R144 PolarHBondContact O-N 3.31Å; K140-L176 HydrophobicContact CB-CB 4.42Å; K140-L176 HydrophobicContact CB-CD1 4.3Å; K140-D177 HydrophobicContact CD-CB 3.96Å; K140-D177 IonicContact NZ-OD2 3.22Å; K140-D177 PolarHBondContact NZ-OD2 3.15Å; K140-D180 HydrophobicContact CD-CB 4.35Å; K140-D180 IonicContact NZ-OD1 3.22Å; K140-D180 PolarHBondContact NZ-OD1 3.47Å
141V97.2Very high96.1Very high40 Ų4040.1 Ų40.124%0.24219%0.193CC..Hα-helixtrans-60.7-55.5-177.8-178.50000110.3N111 N139 L143 R144 S145N111-V141 HydrophobicContact CB-CG1 3.89Å; N139-V141 PolarHBondContact OD1-N 3.36Å; V141-L143 VanDerWaalsContact C-N 3.28Å; V141-L143 PolarHBondContact O-N 3.29Å; V141-R144 PolarHBondContact O-N 2.96Å; V141-S145 PolarHBondContact O-N 2.92Å; V141-S145 PolarHBondContact O-OG 3.26Å
142S97.9Very high95.7Very high0 Ų040.3 Ų40.30%019%0.191CC..Hα-helixtrans-61.3-35.8179.9-45.70000113N111 A133 N139 L146N111-S142 VanDerWaalsContact CG-OG 3.31Å; N111-S142 PolarHBondContact ND2-OG 3.05Å; N111-S142 WeakPolarHBondContact OD1-CB 3.2Å; N111-S142 PolarHBondContact OD1-OG 3.1Å; A133-S142 WeakPolarHBondContact CB-OG 3.36Å; N139-S142 VanDerWaalsContact CG-OG 3.29Å; N139-S142 PolarHBondContact ND2-OG 2.75Å; N139-S142 PolarHBondContact OD1-N 2.86Å; N139-S142 PolarHBondContact OD1-OG 3.24Å; S142-L146 WeakPolarHBondContact O-CB 3.27Å; S142-L146 WeakPolarHBondContact O-CG 3.43Å; S142-L146 PolarHBondContact O-N 3.39Å
143L98.4Very high95.3Very high2 Ų240.6 Ų40.61%0.0119%0.189CC..Hα-helixtrans-65.6-45.1177.2-73.1168.6000111.6L134 K138 N139 K140 V141 S147 M169 Q172 A173 L176L134-L143 HydrophobicContact CD1-CD2 3.8Å; L134-L143 HydrophobicContact CD1-CG 4.34Å; L134-L143 HydrophobicContact CD2-CD2 4.24Å; L134-L143 HydrophobicContact CD2-CG 4.03Å; K138-L143 HydrophobicContact CG-CD1 4.34Å; N139-L143 WeakPolarHBondContact O-CD1 3.33Å; N139-L143 WeakPolarHBondContact O-CG 3.38Å; N139-L143 PolarHBondContact O-N 3.37Å; K140-L143 PolarHBondContact O-N 3.46Å; V141-L143 VanDerWaalsContact C-N 3.28Å; V141-L143 PolarHBondContact O-N 3.29Å; L143-S147 WeakPolarHBondContact O-CB 3.43Å; L143-S147 PolarHBondContact O-N 2.97Å; L143-M169 HydrophobicContact CD2-SD 3.73Å; L143-M169 WeakPolarHBondContact O-CB 3.39Å; L143-Q172 HydrophobicContact CD1-CB 3.86Å; L143-Q172 HydrophobicContact CD2-CB 4.16Å; L143-A173 HydrophobicContact CB-CB 3.82Å; L143-L176 HydrophobicContact CD1-CD1 3.62Å; L143-L176 HydrophobicContact CD1-CG 4.41Å
144R97.9Very high94.4Very high38 Ų3845.6 Ų45.614%0.14322%0.222CC..Hα-helixtrans-60.3-50.2174.3-69177.8-56.1179.921.5110.7K140 V141 L146 S147 M148 A173 D180 S183 I186K140-R144 VanDerWaalsContact O-CG 3.31Å; K140-R144 WeakPolarHBondContact O-CG 3.43Å; K140-R144 PolarHBondContact O-N 3.31Å; V141-R144 PolarHBondContact O-N 2.96Å; R144-L146 PolarHBondContact O-N 3.22Å; R144-S147 WeakPolarHBondContact O-CA 3.2Å; R144-S147 WeakPolarHBondContact O-CB 3.39Å; R144-S147 PolarHBondContact O-N 3.1Å; R144-S147 VanDerWaalsContact O-N 3.08Å; R144-M148 WeakPolarHBondContact O-CG 3.46Å; R144-M148 PolarHBondContact O-N 2.96Å; R144-A173 HydrophobicContact CG-CB 3.7Å; R144-D180 IonicContact CZ-OD2 3.78Å; R144-D180 IonicContact NE-OD2 2.62Å; R144-D180 IonicContact NH1-OD1 2.85Å; R144-D180 PolarHBondContact NH1-OD1 2.97Å; R144-D180 IonicContact NH1-OD2 3.64Å; R144-D180 PolarHBondContact NH1-OD2 3.5Å; R144-S183 WeakPolarHBondContact CD-OG 3.26Å; R144-I186 HydrophobicContact CB-CG1 4.37Å; R144-I186 HydrophobicContact CB-CG2 4.46Å
145S97Very high93.4Very high12 Ų1245.8 Ų45.88%0.08423%0.234CC..Hα-helixtrans-67.2-37.5-176.7-46.40000112.4F130 V141 S147 M148 V149F130-S145 VanDerWaalsContact CE2-CB 3.5Å; V141-S145 PolarHBondContact O-N 2.92Å; V141-S145 PolarHBondContact O-OG 3.26Å; S145-S147 VanDerWaalsContact C-N 3.33Å; S145-S147 PolarHBondContact O-N 3.35Å; S145-M148 WeakPolarHBondContact O-CB 3.42Å; S145-M148 PolarHBondContact O-N 3.24Å; S145-V149 WeakPolarHBondContact O-CG2 3.34Å; S145-V149 PolarHBondContact O-N 3.31Å
146L96.6Very high91.9Very high11 Ų1145 Ų456%0.05824%0.239CC..Hα-helixtrans-62.4-41.2170.1-81.4177.5000112.2K127 F130 L134 S142 R144 M148 V149 L150 M169K127-L146 HydrophobicContact CG-CD2 3.91Å; F130-L146 HydrophobicContact CB-CD1 4.35Å; F130-L146 HydrophobicContact CB-CD2 3.68Å; F130-L146 HydrophobicContact CB-CG 3.56Å; F130-L146 HydrophobicContact CD2-CD2 4.46Å; L134-L146 HydrophobicContact CD1-CD1 3.4Å; L134-L146 VanDerWaalsContact CD1-CD1 3.4Å; L134-L146 HydrophobicContact CG-CD1 4.39Å; S142-L146 WeakPolarHBondContact O-CB 3.27Å; S142-L146 WeakPolarHBondContact O-CG 3.43Å; S142-L146 PolarHBondContact O-N 3.39Å; R144-L146 PolarHBondContact O-N 3.22Å; L146-M148 VanDerWaalsContact C-N 3.3Å; L146-M148 PolarHBondContact O-N 3.04Å; L146-V149 PolarHBondContact O-N 3.19Å; L146-L150 WeakPolarHBondContact O-CB 3.37Å; L146-L150 WeakPolarHBondContact O-CD1 3.26Å; L146-L150 WeakPolarHBondContact O-CG 3.45Å; L146-L150 PolarHBondContact O-N 3.15Å; L146-M169 HydrophobicContact CB-CG 4.26Å; L146-M169 HydrophobicContact CD1-SD 4.46Å
147S97.1Very high90.7Very high0 Ų048.2 Ų48.20%026%0.26CS..Hα-helixtrans-56.1-47.4175.2-175.40000110.7L143 R144 S145 R151 S166 A170L143-S147 WeakPolarHBondContact O-CB 3.43Å; L143-S147 PolarHBondContact O-N 2.97Å; R144-S147 WeakPolarHBondContact O-CA 3.2Å; R144-S147 WeakPolarHBondContact O-CB 3.39Å; R144-S147 PolarHBondContact O-N 3.1Å; R144-S147 VanDerWaalsContact O-N 3.08Å; S145-S147 VanDerWaalsContact C-N 3.33Å; S145-S147 PolarHBondContact O-N 3.35Å; S147-R151 WeakPolarHBondContact O-CG 3.31Å; S147-R151 PolarHBondContact O-NH1 2.54Å; S147-R151 VanDerWaalsContact O-NH1 3.1Å; S147-R151 PolarHBondContact OG-NH1 2.95Å; S147-S166 WeakPolarHBondContact CB-O 3.47Å; S147-S166 WeakPolarHBondContact O-CB 3.45Å; S147-S166 PolarHBondContact O-OG 3.29Å; S147-S166 PolarHBondContact OG-O 3.34Å; S147-S166 PolarHBondContact OG-OG 3.34Å; S147-A170 WeakPolarHBondContact OG-CB 3.23Å
148M94.7Very high89.8Confident25 Ų2546.9 Ų46.912%0.12326%0.256CS..Hα-helixtrans-59.5-50.3176-63.9166.174.200111.8W118 R144 S145 L146 L150 R151 I186 E442W118-M148 HydrophobicContact CH2-CB 4.24Å; W118-M148 HydrophobicContact CZ2-CB 4.43Å; R144-M148 WeakPolarHBondContact O-CG 3.46Å; R144-M148 PolarHBondContact O-N 2.96Å; S145-M148 WeakPolarHBondContact O-CB 3.42Å; S145-M148 PolarHBondContact O-N 3.24Å; L146-M148 VanDerWaalsContact C-N 3.3Å; L146-M148 PolarHBondContact O-N 3.04Å; M148-L150 PolarHBondContact O-N 3.05Å; M148-R151 PolarHBondContact O-N 2.9Å; M148-I186 HydrophobicContact CE-CD1 4.34Å; M148-I186 HydrophobicContact CG-CD1 3.64Å; M148-I186 HydrophobicContact CG-CG1 4.47Å; M148-I186 HydrophobicContact CG-CG2 4.27Å; M148-I186 HydrophobicContact SD-CD1 3.65Å; M148-I186 HydrophobicContact SD-CG1 4.43Å; M148-E442 HydrophobicContact CE-CB 4.25Å; M148-E442 HydrophobicContact CE-CG 4.14Å; M148-E442 WeakPolarHBondContact CE-OE2 3.35Å
149V94.3Very high89.2Confident1 Ų144.1 Ų44.11%0.00624%0.244CC..Hα-helixtrans-62.2-45.3-176176.60000112.8W118 L123 A126 K127 F130 S145 L146 R151 Q152 L153W118-V149 HydrophobicContact CE3-CB 4.35Å; W118-V149 HydrophobicContact CE3-CG2 3.42Å; W118-V149 VanDerWaalsContact CE3-CG2 3.42Å; W118-V149 HydrophobicContact CH2-CG2 4.24Å; W118-V149 HydrophobicContact CZ3-CB 3.72Å; W118-V149 HydrophobicContact CZ3-CG1 4.14Å; W118-V149 HydrophobicContact CZ3-CG2 3.25Å; L123-V149 HydrophobicContact CB-CG1 4.43Å; L123-V149 WeakPolarHBondContact O-CG1 3.48Å; A126-V149 HydrophobicContact CB-CG2 4.32Å; K127-V149 HydrophobicContact CB-CG1 3.86Å; F130-V149 HydrophobicContact CD2-CG2 3.88Å; F130-V149 HydrophobicContact CE2-CG2 3.63Å; S145-V149 WeakPolarHBondContact O-CG2 3.34Å; S145-V149 PolarHBondContact O-N 3.31Å; L146-V149 PolarHBondContact O-N 3.19Å; V149-R151 PolarHBondContact O-N 3.45Å; V149-R151 VanDerWaalsContact O-N 3.12Å; V149-Q152 PolarHBondContact O-N 3.06Å; V149-L153 HydrophobicContact CG1-CD1 4.17Å; V149-L153 HydrophobicContact CG1-CD2 4.25Å; V149-L153 HydrophobicContact CG1-CG 4Å; V149-L153 WeakPolarHBondContact O-CG 3.36Å; V149-L153 PolarHBondContact O-N 3.27Å; V149-L153 VanDerWaalsContact O-N 3.07Å
150L93.3Very high88.7Confident7 Ų744.3 Ų44.34%0.03725%0.252CS..Hα-helixtrans-57.5-31.7-177.2-74.1167.9000112.9L146 M148 L153 R162 E165 M169L146-L150 WeakPolarHBondContact O-CB 3.37Å; L146-L150 WeakPolarHBondContact O-CD1 3.26Å; L146-L150 WeakPolarHBondContact O-CG 3.45Å; L146-L150 PolarHBondContact O-N 3.15Å; M148-L150 PolarHBondContact O-N 3.05Å; L150-L153 HydrophobicContact CD2-CD1 4.35Å; L150-R162 WeakPolarHBondContact O-CB 3.16Å; L150-E165 HydrophobicContact CD1-CB 3.96Å; L150-M169 HydrophobicContact CD1-CG 4.04Å
151R91.3Very high88.3Confident22 Ų2247.5 Ų47.58%0.08327%0.266CS..Hα-helixtrans-80.9-22.5-179.2-56-173-54.4-97.1-0.8113.6S147 M148 V149 Q159 S166 N189 S193S147-R151 WeakPolarHBondContact O-CG 3.31Å; S147-R151 PolarHBondContact O-NH1 2.54Å; S147-R151 VanDerWaalsContact O-NH1 3.1Å; S147-R151 PolarHBondContact OG-NH1 2.95Å; M148-R151 PolarHBondContact O-N 2.9Å; V149-R151 PolarHBondContact O-N 3.45Å; V149-R151 VanDerWaalsContact O-N 3.12Å; R151-Q159 PolarHBondContact O-NE2 3.04Å; R151-S166 WeakPolarHBondContact CD-OG 3.49Å; R151-S166 VanDerWaalsContact CG-CB 3.42Å; R151-S166 WeakPolarHBondContact CG-OG 3.17Å; R151-S166 PolarHBondContact NH1-OG 3.37Å; R151-N189 VanDerWaalsContact NH2-CB 3.32Å; R151-S193 WeakPolarHBondContact CD-OG 3.12Å
152Q89.1Confident88Confident53 Ų5346.6 Ų46.625%0.24826%0.258CS..Hα-helixtrans-102.5-10.9-176-62.5-166.69.800113.9W118 L123 V149 P439W118-Q152 HydrophobicContact CH2-CB 3.86Å; W118-Q152 HydrophobicContact CH2-CG 3.84Å; W118-Q152 HydrophobicContact CZ2-CG 4.35Å; W118-Q152 HydrophobicContact CZ3-CB 4.49Å; L123-Q152 HydrophobicContact CD1-CB 3.91Å; L123-Q152 WeakPolarHBondContact CD1-O 3.38Å; V149-Q152 PolarHBondContact O-N 3.06Å; Q152-P439 VanDerWaalsContact OE1-CB 3.26Å
153L86.8Confident87.8Confident17 Ų1746.6 Ų46.69%0.08926%0.258CS..SBendtrans-57.2141.5176.9-77.3165.3000111.7L123 K127 V149 L150 R162L123-L153 HydrophobicContact CB-CD2 3.7Å; K127-L153 HydrophobicContact CD-CD1 3.97Å; V149-L153 HydrophobicContact CG1-CD1 4.17Å; V149-L153 HydrophobicContact CG1-CD2 4.25Å; V149-L153 HydrophobicContact CG1-CG 4Å; V149-L153 WeakPolarHBondContact O-CG 3.36Å; V149-L153 PolarHBondContact O-N 3.27Å; V149-L153 VanDerWaalsContact O-N 3.07Å; L150-L153 HydrophobicContact CD2-CD1 4.35Å; L153-R162 VanDerWaalsContact O-CZ 3.29Å; L153-R162 PolarHBondContact O-NH1 2.97Å; L153-R162 PolarHBondContact O-NH2 3.34Å
154P78.6Confident87.5Confident105 Ų10551.3 Ų51.368%0.68228%0.283SS*.SBendtrans-70.2148.7176.329.2-34.6000111.4R162P154-R162 PolarHBondContact O-NH1 3.27Å
155G75.1Confident87.4Confident46 Ų4652.9 Ų52.947%0.47429%0.292SS..  trans127.4106.8174.400000114.2R162G155-R162 PolarHBondContact O-NH2 3.46Å
156V64.3Low87.4Confident133 Ų13352.3 Ų52.381%0.80629%0.288SS*.SBendtrans-72.1-37.8-171.9-174.70000112.4E158 Q159V156-E158 VanDerWaalsContact C-N 3.25Å; V156-E158 PolarHBondContact O-N 2.99Å; V156-Q159 PolarHBondContact O-N 3.01Å
157D67.3Low87.4Confident168 Ų16852.1 Ų52.190%0.89829%0.287SS*.THydrogen-bonded Turntrans-67.8-21.4-170.2-62.2-29.3000114.1
158E78.6Confident87.4Confident116 Ų11655.8 Ų55.854%0.54231%0.306SS..THydrogen-bonded Turntrans-112.75.8179-62.3-164.7151.200113.7V156 G160 K161 R162V156-E158 VanDerWaalsContact C-N 3.25Å; V156-E158 PolarHBondContact O-N 2.99Å; E158-G160 PolarHBondContact O-N 2.89Å; E158-K161 PolarHBondContact O-N 2.89Å; E158-R162 HydrophobicContact CB-CG 4.43Å; E158-R162 WeakPolarHBondContact O-CG 3.4Å; E158-R162 PolarHBondContact O-N 3.19Å
159Q83.8Confident87.6Confident47 Ų4756.2 Ų56.222%0.2231%0.309CS..Hα-helixtrans-57.3-45.6-172.5-175.862.58.300112.7R151 V156 K161 R162 V163 T197R151-Q159 PolarHBondContact O-NE2 3.04Å; V156-Q159 PolarHBondContact O-N 3.01Å; Q159-K161 PolarHBondContact O-N 3.34Å; Q159-R162 PolarHBondContact O-N 3.35Å; Q159-V163 HydrophobicContact CG-CG2 4.31Å; Q159-V163 WeakPolarHBondContact O-CB 3.27Å; Q159-V163 VanDerWaalsContact O-CG2 3.25Å; Q159-V163 WeakPolarHBondContact O-CG2 3.4Å; Q159-V163 PolarHBondContact O-N 2.91Å; Q159-T197 HydrophobicContact CG-CG2 4.17Å
160G85.7Confident87.8Confident28 Ų2856.2 Ų56.229%0.28931%0.309SS..Hα-helixtrans-59.9-42.8179.100000113.4E158 V163 L164E158-G160 PolarHBondContact O-N 2.89Å; G160-V163 PolarHBondContact O-N 3.29Å; G160-L164 WeakPolarHBondContact O-CG 3.16Å; G160-L164 PolarHBondContact O-N 3.01Å; G160-L164 VanDerWaalsContact O-N 3.1Å
161K90.2Very high88Confident127 Ų12760.5 Ų60.555%0.55232%0.324SS*.Hα-helixtrans-65.5-45.5178-176.4-177.2173.7-167.80111.2E158 Q159 V163 L164 E165E158-K161 PolarHBondContact O-N 2.89Å; Q159-K161 PolarHBondContact O-N 3.34Å; K161-V163 VanDerWaalsContact C-N 3.32Å; K161-V163 PolarHBondContact O-N 3Å; K161-L164 WeakPolarHBondContact O-CB 3.48Å; K161-L164 PolarHBondContact O-N 2.95Å; K161-E165 WeakPolarHBondContact CE-OE1 3.47Å; K161-E165 WeakPolarHBondContact O-CG 3.22Å; K161-E165 PolarHBondContact O-N 3.27Å
162R91.3Very high88.4Confident21 Ų2161.4 Ų61.48%0.07933%0.33CS..Hα-helixtrans-64.4-36.6179.3-65.4-176.9-57.4178.412.4112.5L150 L153 P154 G155 E158 Q159 E165 S166L150-R162 WeakPolarHBondContact O-CB 3.16Å; L153-R162 VanDerWaalsContact O-CZ 3.29Å; L153-R162 PolarHBondContact O-NH1 2.97Å; L153-R162 PolarHBondContact O-NH2 3.34Å; P154-R162 PolarHBondContact O-NH1 3.27Å; G155-R162 PolarHBondContact O-NH2 3.46Å; E158-R162 HydrophobicContact CB-CG 4.43Å; E158-R162 WeakPolarHBondContact O-CG 3.4Å; E158-R162 PolarHBondContact O-N 3.19Å; Q159-R162 PolarHBondContact O-N 3.35Å; R162-E165 PolarHBondContact O-N 3.24Å; R162-S166 WeakPolarHBondContact O-CB 3.3Å; R162-S166 PolarHBondContact O-N 2.99Å
163V92.1Very high88.8Confident0 Ų058.9 Ų58.90%032%0.318CS..Hα-helixtrans-67.2-38.8175172.20000111.4Q159 G160 K161 S166 V167 L194Q159-V163 HydrophobicContact CG-CG2 4.31Å; Q159-V163 WeakPolarHBondContact O-CB 3.27Å; Q159-V163 VanDerWaalsContact O-CG2 3.25Å; Q159-V163 WeakPolarHBondContact O-CG2 3.4Å; Q159-V163 PolarHBondContact O-N 2.91Å; G160-V163 PolarHBondContact O-N 3.29Å; K161-V163 VanDerWaalsContact C-N 3.32Å; K161-V163 PolarHBondContact O-N 3Å; V163-S166 WeakPolarHBondContact O-CB 3.19Å; V163-S166 PolarHBondContact O-N 2.79Å; V163-V167 WeakPolarHBondContact O-CG2 3.49Å; V163-V167 PolarHBondContact O-N 2.92Å; V163-L194 HydrophobicContact CG1-CB 3.77Å; V163-L194 HydrophobicContact CG1-CD1 4.01Å; V163-L194 VanDerWaalsContact CG1-N 3.34Å
164L93.4Very high89.4Confident100 Ų10058.6 Ų58.652%0.52432%0.316SS..Hα-helixtrans-64-44.5172.8-72.2169000112.2G160 K161 S166 V167 D168 L194G160-L164 WeakPolarHBondContact O-CG 3.16Å; G160-L164 PolarHBondContact O-N 3.01Å; G160-L164 VanDerWaalsContact O-N 3.1Å; K161-L164 WeakPolarHBondContact O-CB 3.48Å; K161-L164 PolarHBondContact O-N 2.95Å; L164-S166 VanDerWaalsContact C-N 3.28Å; L164-S166 PolarHBondContact O-N 2.54Å; L164-V167 PolarHBondContact O-N 3.03Å; L164-D168 PolarHBondContact O-N 2.83Å; L164-D168 VanDerWaalsContact O-N 3.08Å; L164-L194 HydrophobicContact CD2-CD1 3.66Å; L164-L194 HydrophobicContact CD2-CD2 4.36Å; L164-L194 HydrophobicContact CG-CD1 4.21Å
165E95.4Very high90.3Very high72 Ų7260.4 Ų60.434%0.33632%0.316SS..Hα-helixtrans-60-39.8173.7-71.3175.2-166.600111.3L150 K161 R162 V167 D168 M169L150-E165 HydrophobicContact CD1-CB 3.96Å; K161-E165 WeakPolarHBondContact CE-OE1 3.47Å; K161-E165 WeakPolarHBondContact O-CG 3.22Å; K161-E165 PolarHBondContact O-N 3.27Å; R162-E165 PolarHBondContact O-N 3.24Å; E165-V167 PolarHBondContact O-N 3.23Å; E165-D168 WeakPolarHBondContact O-CB 3.25Å; E165-D168 PolarHBondContact O-N 3.44Å; E165-M169 WeakPolarHBondContact O-CG 3.21Å; E165-M169 PolarHBondContact O-N 3.48Å
166S96.3Very high91.4Very high0 Ų062.3 Ų62.30%032%0.315CS..Hα-helixtrans-60.7-43.4176.1176.60000112.8S147 R151 R162 V163 L164 D168 M169 A170S147-S166 WeakPolarHBondContact CB-O 3.47Å; S147-S166 WeakPolarHBondContact O-CB 3.45Å; S147-S166 PolarHBondContact O-OG 3.29Å; S147-S166 PolarHBondContact OG-O 3.34Å; S147-S166 PolarHBondContact OG-OG 3.34Å; R151-S166 WeakPolarHBondContact CD-OG 3.49Å; R151-S166 VanDerWaalsContact CG-CB 3.42Å; R151-S166 WeakPolarHBondContact CG-OG 3.17Å; R151-S166 PolarHBondContact NH1-OG 3.37Å; R162-S166 WeakPolarHBondContact O-CB 3.3Å; R162-S166 PolarHBondContact O-N 2.99Å; V163-S166 WeakPolarHBondContact O-CB 3.19Å; V163-S166 PolarHBondContact O-N 2.79Å; L164-S166 VanDerWaalsContact C-N 3.28Å; L164-S166 PolarHBondContact O-N 2.54Å; S166-D168 VanDerWaalsContact C-N 3.32Å; S166-M169 PolarHBondContact O-N 2.96Å; S166-A170 PolarHBondContact O-N 3.21Å
167V96.7Very high93Very high6 Ų658 Ų584%0.03629%0.287CS..Hα-helixtrans-62.8-41.1175.4171.60000110.7V163 L164 E165 A170 R171 A190 Y191 L194V163-V167 WeakPolarHBondContact O-CG2 3.49Å; V163-V167 PolarHBondContact O-N 2.92Å; L164-V167 PolarHBondContact O-N 3.03Å; E165-V167 PolarHBondContact O-N 3.23Å; V167-A170 PolarHBondContact O-N 3.48Å; V167-R171 HydrophobicContact CG1-CG 4.41Å; V167-R171 WeakPolarHBondContact O-CB 3.22Å; V167-R171 VanDerWaalsContact O-CG 3.31Å; V167-R171 WeakPolarHBondContact O-CG 3.34Å; V167-R171 PolarHBondContact O-N 3.42Å; V167-A190 HydrophobicContact CB-CB 4.37Å; V167-A190 HydrophobicContact CG2-CB 3.67Å; V167-Y191 HydrophobicContact CG1-CD1 4.25Å; V167-Y191 HydrophobicContact CG1-CE1 3.75Å; V167-Y191 HydrophobicContact CG2-CD1 4.39Å; V167-L194 HydrophobicContact CG2-CB 4.18Å; V167-L194 HydrophobicContact CG2-CD2 4.11Å
168D97.9Very high94.4Very high77 Ų7754.1 Ų54.141%0.41227%0.27SS..Hα-helixtrans-61.9-47.6176.4-173.669.2000111.9L164 E165 S166 A170 R171 Q172L164-D168 PolarHBondContact O-N 2.83Å; L164-D168 VanDerWaalsContact O-N 3.08Å; E165-D168 WeakPolarHBondContact O-CB 3.25Å; E165-D168 PolarHBondContact O-N 3.44Å; S166-D168 VanDerWaalsContact C-N 3.32Å; D168-A170 PolarHBondContact O-N 2.99Å; D168-R171 PolarHBondContact O-N 2.99Å; D168-Q172 WeakPolarHBondContact O-CG 3.44Å; D168-Q172 PolarHBondContact O-N 3.34Å; D168-Q172 PolarHBondContact OD2-NE2 3.49Å
169M98.3Very high95.3Very high35 Ų3553 Ų5317%0.17227%0.271CS..Hα-helixtrans-59.2-44.9176.9-65.1-57.4100.600112L143 L146 L150 E165 S166 Q172 A173L143-M169 HydrophobicContact CD2-SD 3.73Å; L143-M169 WeakPolarHBondContact O-CB 3.39Å; L146-M169 HydrophobicContact CB-CG 4.26Å; L146-M169 HydrophobicContact CD1-SD 4.46Å; L150-M169 HydrophobicContact CD1-CG 4.04Å; E165-M169 WeakPolarHBondContact O-CG 3.21Å; E165-M169 PolarHBondContact O-N 3.48Å; S166-M169 PolarHBondContact O-N 2.96Å; M169-Q172 PolarHBondContact O-N 3.15Å; M169-A173 PolarHBondContact O-N 3.26Å
170A98.3Very high96Very high0 Ų051.6 Ų51.60%026%0.264CS..Hα-helixtrans-64.5-41.5177.800000112.6S147 S166 V167 D168 Q172 A173 V174 I186 L187 A190S147-A170 WeakPolarHBondContact OG-CB 3.23Å; S166-A170 PolarHBondContact O-N 3.21Å; V167-A170 PolarHBondContact O-N 3.48Å; D168-A170 PolarHBondContact O-N 2.99Å; A170-Q172 VanDerWaalsContact C-N 3.32Å; A170-Q172 PolarHBondContact O-N 2.89Å; A170-A173 WeakPolarHBondContact O-CB 3.48Å; A170-A173 PolarHBondContact O-N 2.99Å; A170-V174 PolarHBondContact O-N 3.43Å; A170-I186 HydrophobicContact CB-CG2 4.25Å; A170-L187 HydrophobicContact CB-CB 3.98Å; A170-L187 HydrophobicContact CB-CD1 3.84Å; A170-A190 HydrophobicContact CB-CB 4.25Å
171R98.4Very high96.5Very high98 Ų9850.2 Ų50.237%0.3725%0.251SS..Hα-helixtrans-61.3-42.6175.1-76.9177.6176.4177.4-0.7111.5V167 D168 A173 V174 Q175 L187 Y191V167-R171 HydrophobicContact CG1-CG 4.41Å; V167-R171 WeakPolarHBondContact O-CB 3.22Å; V167-R171 VanDerWaalsContact O-CG 3.31Å; V167-R171 WeakPolarHBondContact O-CG 3.34Å; V167-R171 PolarHBondContact O-N 3.42Å; D168-R171 PolarHBondContact O-N 2.99Å; R171-A173 VanDerWaalsContact C-N 3.3Å; R171-A173 PolarHBondContact O-N 3.49Å; R171-V174 PolarHBondContact O-N 2.83Å; R171-Q175 VanDerWaalsContact O-CG 3.28Å; R171-Q175 WeakPolarHBondContact O-CG 3.33Å; R171-Q175 PolarHBondContact O-N 3.38Å; R171-L187 HydrophobicContact CG-CD1 3.67Å; R171-L187 HydrophobicContact CG-CD2 4.37Å; R171-Y191 VanDerWaalsContact CZ-OH 3.3Å; R171-Y191 PolarHBondContact NE-OH 3Å; R171-Y191 PolarHBondContact NH2-OH 3.46Å
172Q98.5Very high96.8Very high41 Ų4146.3 Ų46.319%0.19224%0.237CC..Hα-helixtrans-63.8-35.9176-69.9-170.358.800111.9K138 L143 D168 M169 A170 Q175 L176K138-Q172 VanDerWaalsContact CE-OE1 3.28Å; L143-Q172 HydrophobicContact CD1-CB 3.86Å; L143-Q172 HydrophobicContact CD2-CB 4.16Å; D168-Q172 WeakPolarHBondContact O-CG 3.44Å; D168-Q172 PolarHBondContact O-N 3.34Å; D168-Q172 PolarHBondContact OD2-NE2 3.49Å; M169-Q172 PolarHBondContact O-N 3.15Å; A170-Q172 VanDerWaalsContact C-N 3.32Å; A170-Q172 PolarHBondContact O-N 2.89Å; Q172-Q175 PolarHBondContact O-N 3.13Å; Q172-L176 WeakPolarHBondContact O-CG 3.49Å; Q172-L176 PolarHBondContact O-N 3.33Å
173A98.4Very high97.2Very high0 Ų045.3 Ų45.30%023%0.234CC..Hα-helixtrans-62.2-48.9174.500000111.7L143 R144 M169 A170 R171 Q175 L176 D177L143-A173 HydrophobicContact CB-CB 3.82Å; R144-A173 HydrophobicContact CG-CB 3.7Å; M169-A173 PolarHBondContact O-N 3.26Å; A170-A173 WeakPolarHBondContact O-CB 3.48Å; A170-A173 PolarHBondContact O-N 2.99Å; R171-A173 VanDerWaalsContact C-N 3.3Å; R171-A173 PolarHBondContact O-N 3.49Å; A173-Q175 VanDerWaalsContact C-N 3.28Å; A173-Q175 PolarHBondContact O-N 2.86Å; A173-L176 WeakPolarHBondContact O-CB 3.31Å; A173-L176 PolarHBondContact O-N 2.54Å; A173-L176 VanDerWaalsContact O-N 3.1Å; A173-D177 PolarHBondContact O-N 3.08Å
174V98.5Very high97.5Very high10 Ų1047.8 Ų47.86%0.06124%0.243CC..Hα-helixtrans-59-38.3174.8171.90000111.9A170 R171 L176 D177 V178 S183 W184 L187A170-V174 PolarHBondContact O-N 3.43Å; R171-V174 PolarHBondContact O-N 2.83Å; V174-L176 VanDerWaalsContact C-N 3.27Å; V174-L176 PolarHBondContact O-N 2.86Å; V174-D177 CarbonylContact O-C 3.51Å; V174-D177 PolarHBondContact O-N 3.49Å; V174-V178 HydrophobicContact CG1-CG1 4.48Å; V174-V178 WeakPolarHBondContact O-CA 3.43Å; V174-V178 WeakPolarHBondContact O-CG1 3.46Å; V174-V178 PolarHBondContact O-N 2.93Å; V174-V178 VanDerWaalsContact O-N 3.15Å; V174-S183 WeakPolarHBondContact CG2-O 3.38Å; V174-W184 HydrophobicContact CG1-CD2 4Å; V174-W184 VanDerWaalsContact CG1-CE2 3.48Å; V174-W184 HydrophobicContact CG1-CE3 4.34Å; V174-W184 HydrophobicContact CG1-CH2 3.79Å; V174-W184 HydrophobicContact CG1-CZ2 3.38Å; V174-W184 HydrophobicContact CG1-CZ3 4.25Å; V174-W184 HydrophobicContact CG2-CD2 4.1Å; V174-W184 HydrophobicContact CG2-CE3 4.34Å; V174-W184 HydrophobicContact CG2-CG 4.32Å; V174-L187 HydrophobicContact CG2-CB 4.24Å; V174-L187 HydrophobicContact CG2-CD2 3.98Å
175Q98.3Very high97.7Very high143 Ų14343 Ų4367%0.66822%0.218SC*.Hα-helixtrans-66.1-28.4177.9-75.2169.910.200113.3R171 Q172 A173R171-Q175 VanDerWaalsContact O-CG 3.28Å; R171-Q175 WeakPolarHBondContact O-CG 3.33Å; R171-Q175 PolarHBondContact O-N 3.38Å; Q172-Q175 PolarHBondContact O-N 3.13Å; A173-Q175 VanDerWaalsContact C-N 3.28Å; A173-Q175 PolarHBondContact O-N 2.86Å
176L98.1Very high97.8Very high86 Ų8639.7 Ų39.745%0.4520%0.202SC..Hα-helixtrans-73.7-32.3174.6-68.1-179.7000111.9K138 K140 L143 Q172 A173 V174K138-L176 HydrophobicContact CG-CD1 4.23Å; K140-L176 HydrophobicContact CB-CB 4.42Å; K140-L176 HydrophobicContact CB-CD1 4.3Å; L143-L176 HydrophobicContact CD1-CD1 3.62Å; L143-L176 HydrophobicContact CD1-CG 4.41Å; Q172-L176 WeakPolarHBondContact O-CG 3.49Å; Q172-L176 PolarHBondContact O-N 3.33Å; A173-L176 WeakPolarHBondContact O-CB 3.31Å; A173-L176 PolarHBondContact O-N 2.54Å; A173-L176 VanDerWaalsContact O-N 3.1Å; V174-L176 VanDerWaalsContact C-N 3.27Å; V174-L176 PolarHBondContact O-N 2.86Å
177D97.7Very high97.9Very high43 Ų4340 Ų4023%0.2320%0.204CC..  trans-15399.9179.6-174.5-7.8000110.6K140 A173 V174 T179 D180K140-D177 HydrophobicContact CD-CB 3.96Å; K140-D177 IonicContact NZ-OD2 3.22Å; K140-D177 PolarHBondContact NZ-OD2 3.15Å; A173-D177 PolarHBondContact O-N 3.08Å; V174-D177 CarbonylContact O-C 3.51Å; V174-D177 PolarHBondContact O-N 3.49Å; D177-T179 PolarHBondContact O-N 2.89Å; D177-T179 WeakPolarHBondContact OD1-CA 3.3Å; D177-T179 PolarHBondContact OD1-N 3.3Å; D177-T179 PolarHBondContact OD1-OG1 3.06Å; D177-D180 HydrophobicContact CB-CB 3.98Å; D177-D180 WeakPolarHBondContact O-CB 3.41Å; D177-D180 PolarHBondContact O-N 2.96Å; D177-D180 PolarHBondContact OD1-N 2.94Å
178V97.6Very high97.9Very high87 Ų8739.7 Ų39.753%0.52720%0.202SC..THydrogen-bonded Turntrans-74.8-9.2-179.3-62.30000113.1V174 W184V174-V178 HydrophobicContact CG1-CG1 4.48Å; V174-V178 WeakPolarHBondContact O-CA 3.43Å; V174-V178 WeakPolarHBondContact O-CG1 3.46Å; V174-V178 PolarHBondContact O-N 2.93Å; V174-V178 VanDerWaalsContact O-N 3.15Å; V178-W184 PolarHBondContact O-NE1 3.49Å
179T97.6Very high97.8Very high92 Ų9236.3 Ų36.356%0.56418%0.184SC*.THydrogen-bonded Turntrans-96.5-8.3178.558.60000113.1D177 G181 V218D177-T179 PolarHBondContact O-N 2.89Å; D177-T179 WeakPolarHBondContact OD1-CA 3.3Å; D177-T179 PolarHBondContact OD1-N 3.3Å; D177-T179 PolarHBondContact OD1-OG1 3.06Å; T179-G181 PolarHBondContact O-N 2.95Å; T179-V218 WeakPolarHBondContact O-CG2 3.02Å
180D96.8Very high97.6Very high17 Ų1734.6 Ų34.69%0.09118%0.176CC..  trans-75.2105.9177.1-172.172.3000110.8K140 R144 D177 T182 S183 W184K140-D180 HydrophobicContact CD-CB 4.35Å; K140-D180 IonicContact NZ-OD1 3.22Å; K140-D180 PolarHBondContact NZ-OD1 3.47Å; R144-D180 IonicContact CZ-OD2 3.78Å; R144-D180 IonicContact NE-OD2 2.62Å; R144-D180 IonicContact NH1-OD1 2.85Å; R144-D180 PolarHBondContact NH1-OD1 2.97Å; R144-D180 IonicContact NH1-OD2 3.64Å; R144-D180 PolarHBondContact NH1-OD2 3.5Å; D177-D180 HydrophobicContact CB-CB 3.98Å; D177-D180 WeakPolarHBondContact O-CB 3.41Å; D177-D180 PolarHBondContact O-N 2.96Å; D177-D180 PolarHBondContact OD1-N 2.94Å; D180-T182 VanDerWaalsContact C-N 3.29Å; D180-T182 PolarHBondContact O-N 2.97Å; D180-S183 PolarHBondContact O-N 3.35Å; D180-S183 WeakPolarHBondContact OD2-CB 3.26Å; D180-S183 PolarHBondContact OD2-N 3.49Å; D180-S183 PolarHBondContact OD2-OG 3.23Å; D180-W184 PolarHBondContact O-N 3.36Å
181G97.3Very high97.5Very high0 Ų035.4 Ų35.40%018%0.179CC..Hα-helixtrans-55.9-44.6178.500000112.5T179 S183 W184 Y185 A215 D219T179-G181 PolarHBondContact O-N 2.95Å; G181-S183 VanDerWaalsContact C-N 3.3Å; G181-S183 PolarHBondContact O-N 3.26Å; G181-W184 WeakPolarHBondContact O-CB 3.37Å; G181-W184 PolarHBondContact O-N 3.29Å; G181-Y185 PolarHBondContact O-N 2.86Å; G181-A215 WeakPolarHBondContact O-CB 3.33Å; G181-D219 VanDerWaalsContact CA-CB 3.49Å
182T96.6Very high97.2Very high44 Ų4430.9 Ų30.927%0.2716%0.162SC..Hα-helixtrans-61.9-36.8-178.6-47.30000112D180 W184 Y185 I186 E222D180-T182 VanDerWaalsContact C-N 3.29Å; D180-T182 PolarHBondContact O-N 2.97Å; T182-W184 VanDerWaalsContact C-N 3.34Å; T182-W184 PolarHBondContact O-N 2.94Å; T182-Y185 PolarHBondContact O-N 3.44Å; T182-I186 HydrophobicContact CG2-CG1 4.33Å; T182-I186 WeakPolarHBondContact O-CB 3.38Å; T182-I186 VanDerWaalsContact O-CG1 3.26Å; T182-I186 WeakPolarHBondContact O-CG1 3.4Å; T182-I186 PolarHBondContact O-N 2.85Å; T182-E222 WeakPolarHBondContact CA-OE1 3.47Å; T182-E222 WeakPolarHBondContact CB-OE1 3.4Å; T182-E222 PolarHBondContact N-OE1 3.1Å; T182-E222 PolarHBondContact OG1-OE1 3.17Å
183S98.3Very high96.9Very high0 Ų029.2 Ų29.20%016%0.155CC..Hα-helixtrans-61.5-42174.4-72.60000112R144 V174 D180 G181 L187R144-S183 WeakPolarHBondContact CD-OG 3.26Å; V174-S183 WeakPolarHBondContact CG2-O 3.38Å; D180-S183 PolarHBondContact O-N 3.35Å; D180-S183 WeakPolarHBondContact OD2-CB 3.26Å; D180-S183 PolarHBondContact OD2-N 3.49Å; D180-S183 PolarHBondContact OD2-OG 3.23Å; G181-S183 VanDerWaalsContact C-N 3.3Å; G181-S183 PolarHBondContact O-N 3.26Å; S183-L187 WeakPolarHBondContact O-CB 3.49Å; S183-L187 PolarHBondContact O-N 3.36Å
184W98.6Very high96.6Very high53 Ų5329.9 Ų29.920%0.20116%0.158CC..Hα-helixtrans-68.4-41176.2-77.6108.3000112.4V174 V178 D180 G181 T182 L187 G188 A211 Q214 A215V174-W184 HydrophobicContact CG1-CD2 4Å; V174-W184 VanDerWaalsContact CG1-CE2 3.48Å; V174-W184 HydrophobicContact CG1-CE3 4.34Å; V174-W184 HydrophobicContact CG1-CH2 3.79Å; V174-W184 HydrophobicContact CG1-CZ2 3.38Å; V174-W184 HydrophobicContact CG1-CZ3 4.25Å; V174-W184 HydrophobicContact CG2-CD2 4.1Å; V174-W184 HydrophobicContact CG2-CE3 4.34Å; V174-W184 HydrophobicContact CG2-CG 4.32Å; V178-W184 PolarHBondContact O-NE1 3.49Å; D180-W184 PolarHBondContact O-N 3.36Å; G181-W184 WeakPolarHBondContact O-CB 3.37Å; G181-W184 PolarHBondContact O-N 3.29Å; T182-W184 VanDerWaalsContact C-N 3.34Å; T182-W184 PolarHBondContact O-N 2.94Å; W184-L187 HydrophobicContact CE3-CD2 3.96Å; W184-L187 HydrophobicContact CZ3-CD2 3.91Å; W184-L187 WeakPolarHBondContact O-CB 3.37Å; W184-L187 PolarHBondContact O-N 2.89Å; W184-G188 PolarHBondContact O-N 3.28Å; W184-A211 HydrophobicContact CE3-CB 4.2Å; W184-Q214 HydrophobicContact CD2-CB 4Å; W184-Q214 HydrophobicContact CD2-CG 3.55Å; W184-Q214 VanDerWaalsContact CE2-CG 3.44Å; W184-Q214 HydrophobicContact CE3-CB 4.08Å; W184-Q214 HydrophobicContact CE3-CG 3.97Å; W184-Q214 HydrophobicContact CG-CB 4.31Å; W184-Q214 HydrophobicContact CG-CG 3.96Å; W184-Q214 HydrophobicContact CH2-CG 4.18Å; W184-Q214 HydrophobicContact CZ2-CG 3.78Å; W184-Q214 HydrophobicContact CZ3-CG 4.27Å; W184-A215 HydrophobicContact CB-CB 3.65Å
185Y97.9Very high96.2Very high0 Ų029.4 Ų29.40%016%0.156CC..Hα-helixtrans-57.5-51.4173.6161.6-114.4000111.5G181 T182 L187 G188 N189 Y212 D227 L228 N231 E442G181-Y185 PolarHBondContact O-N 2.86Å; T182-Y185 PolarHBondContact O-N 3.44Å; Y185-L187 VanDerWaalsContact C-N 3.28Å; Y185-L187 PolarHBondContact O-N 3.29Å; Y185-G188 WeakPolarHBondContact O-CA 3.08Å; Y185-G188 PolarHBondContact O-N 3.03Å; Y185-N189 WeakPolarHBondContact CE2-ND2 3.42Å; Y185-N189 WeakPolarHBondContact CE2-OD1 3.28Å; Y185-N189 PolarHBondContact O-N 2.93Å; Y185-N189 PolarHBondContact OH-ND2 3.21Å; Y185-Y212 AromaticContact CD2-CD1 3.93Å; Y185-Y212 HydrophobicContact CD2-CD1 3.93Å; Y185-Y212 AromaticContact CD2-CE1 3.62Å; Y185-Y212 HydrophobicContact CD2-CE1 3.62Å; Y185-Y212 AromaticContact CE2-CE1 3.96Å; Y185-Y212 HydrophobicContact CE2-CE1 3.96Å; Y185-D227 WeakPolarHBondContact OH-CB 3.32Å; Y185-L228 HydrophobicContact CD2-CB 3.68Å; Y185-L228 HydrophobicContact CD2-CD1 3.95Å; Y185-L228 HydrophobicContact CD2-CG 3.83Å; Y185-L228 HydrophobicContact CE2-CB 3.81Å; Y185-L228 HydrophobicContact CE2-CG 4.37Å; Y185-L228 HydrophobicContact CG-CD1 4.41Å; Y185-N231 PolarHBondContact OH-ND2 2.8Å; Y185-E442 VanDerWaalsContact CE1-OE1 3.3Å; Y185-E442 WeakPolarHBondContact CE1-OE1 3.3Å; Y185-E442 VanDerWaalsContact CZ-OE1 3.31Å; Y185-E442 PolarHBondContact OH-OE1 2.87Å
186I97.5Very high95.7Very high1 Ų123.3 Ų23.31%0.00513%0.127CC..Hα-helixtrans-63.2-35.1178.2-65.8-56.5000111.8R144 M148 A170 T182 N189 A190R144-I186 HydrophobicContact CB-CG1 4.37Å; R144-I186 HydrophobicContact CB-CG2 4.46Å; M148-I186 HydrophobicContact CE-CD1 4.34Å; M148-I186 HydrophobicContact CG-CD1 3.64Å; M148-I186 HydrophobicContact CG-CG1 4.47Å; M148-I186 HydrophobicContact CG-CG2 4.27Å; M148-I186 HydrophobicContact SD-CD1 3.65Å; M148-I186 HydrophobicContact SD-CG1 4.43Å; A170-I186 HydrophobicContact CB-CG2 4.25Å; T182-I186 HydrophobicContact CG2-CG1 4.33Å; T182-I186 WeakPolarHBondContact O-CB 3.38Å; T182-I186 VanDerWaalsContact O-CG1 3.26Å; T182-I186 WeakPolarHBondContact O-CG1 3.4Å; T182-I186 PolarHBondContact O-N 2.85Å; I186-N189 PolarHBondContact O-N 3.33Å; I186-A190 PolarHBondContact O-N 3.1Å
187L98.1Very high95Very high6 Ų621.8 Ų21.83%0.03112%0.121CC..Hα-helixtrans-64.3-39.8171.9179.959.3000111.9A170 R171 V174 S183 W184 Y185 A190 Y191 A211A170-L187 HydrophobicContact CB-CB 3.98Å; A170-L187 HydrophobicContact CB-CD1 3.84Å; R171-L187 HydrophobicContact CG-CD1 3.67Å; R171-L187 HydrophobicContact CG-CD2 4.37Å; V174-L187 HydrophobicContact CG2-CB 4.24Å; V174-L187 HydrophobicContact CG2-CD2 3.98Å; S183-L187 WeakPolarHBondContact O-CB 3.49Å; S183-L187 PolarHBondContact O-N 3.36Å; W184-L187 HydrophobicContact CE3-CD2 3.96Å; W184-L187 HydrophobicContact CZ3-CD2 3.91Å; W184-L187 WeakPolarHBondContact O-CB 3.37Å; W184-L187 PolarHBondContact O-N 2.89Å; Y185-L187 VanDerWaalsContact C-N 3.28Å; Y185-L187 PolarHBondContact O-N 3.29Å; L187-A190 PolarHBondContact O-N 3.49Å; L187-Y191 HydrophobicContact CD1-CD2 4.02Å; L187-Y191 HydrophobicContact CD1-CE2 3.52Å; L187-Y191 HydrophobicContact CD2-CE2 3.95Å; L187-Y191 HydrophobicContact CG-CD2 3.92Å; L187-Y191 HydrophobicContact CG-CE2 3.51Å; L187-Y191 VanDerWaalsContact O-CD2 3.26Å; L187-Y191 WeakPolarHBondContact O-CD2 3.47Å; L187-Y191 PolarHBondContact O-N 3.43Å; L187-A211 HydrophobicContact CG-CB 4.4Å
188G97.1Very high94.2Very high0 Ų022.9 Ų22.90%013%0.131CC..Hα-helixtrans-55.6-51.717100000111.5W184 Y185 A190 Y191 I192 Y212W184-G188 PolarHBondContact O-N 3.28Å; Y185-G188 WeakPolarHBondContact O-CA 3.08Å; Y185-G188 PolarHBondContact O-N 3.03Å; G188-A190 VanDerWaalsContact C-N 3.28Å; G188-A190 PolarHBondContact O-N 2.92Å; G188-Y191 PolarHBondContact O-N 3.42Å; G188-Y191 VanDerWaalsContact O-N 3.11Å; G188-I192 WeakPolarHBondContact O-CG1 3.47Å; G188-I192 PolarHBondContact O-N 2.77Å; G188-Y212 VanDerWaalsContact C-OH 3.3Å
189N95.7Very high93.2Very high6 Ų621.4 Ų21.43%0.03213%0.134CC..Hα-helixtrans-58.6-40.4177-72.5-5.1000112R151 Y185 I186 Y191 I192 S193 Y212 N231R151-N189 VanDerWaalsContact NH2-CB 3.32Å; Y185-N189 WeakPolarHBondContact CE2-ND2 3.42Å; Y185-N189 WeakPolarHBondContact CE2-OD1 3.28Å; Y185-N189 PolarHBondContact O-N 2.93Å; Y185-N189 PolarHBondContact OH-ND2 3.21Å; I186-N189 PolarHBondContact O-N 3.33Å; N189-Y191 PolarHBondContact O-N 2.97Å; N189-I192 PolarHBondContact O-N 3.31Å; N189-S193 PolarHBondContact O-N 2.94Å; N189-S193 PolarHBondContact O-OG 3.34Å; N189-Y212 WeakPolarHBondContact CA-OH 3.37Å; N189-Y212 PolarHBondContact N-OH 3.5Å; N189-Y212 WeakPolarHBondContact OD1-CE1 3.18Å; N189-Y212 PolarHBondContact OD1-OH 2.57Å; N189-N231 PolarHBondContact OD1-ND2 2.96Å
190A95.4Very high92.5Very high0 Ų018 Ų180%011%0.112CC..Hα-helixtrans-62.9-41.7177.200000112.3V167 A170 I186 L187 G188 S193 L194V167-A190 HydrophobicContact CB-CB 4.37Å; V167-A190 HydrophobicContact CG2-CB 3.67Å; A170-A190 HydrophobicContact CB-CB 4.25Å; I186-A190 PolarHBondContact O-N 3.1Å; L187-A190 PolarHBondContact O-N 3.49Å; G188-A190 VanDerWaalsContact C-N 3.28Å; G188-A190 PolarHBondContact O-N 2.92Å; A190-S193 PolarHBondContact O-N 3.39Å; A190-L194 WeakPolarHBondContact O-CB 3.45Å; A190-L194 PolarHBondContact O-N 3.47Å
191Y95.7Very high91.9Very high17 Ų1720.4 Ų20.47%0.06713%0.125CC..Hα-helixtrans-68-36.4174.7-73.5-50.7000113.2V167 R171 L187 G188 N189 L194 F195 Q207 A211V167-Y191 HydrophobicContact CG1-CD1 4.25Å; V167-Y191 HydrophobicContact CG1-CE1 3.75Å; V167-Y191 HydrophobicContact CG2-CD1 4.39Å; R171-Y191 VanDerWaalsContact CZ-OH 3.3Å; R171-Y191 PolarHBondContact NE-OH 3Å; R171-Y191 PolarHBondContact NH2-OH 3.46Å; L187-Y191 HydrophobicContact CD1-CD2 4.02Å; L187-Y191 HydrophobicContact CD1-CE2 3.52Å; L187-Y191 HydrophobicContact CD2-CE2 3.95Å; L187-Y191 HydrophobicContact CG-CD2 3.92Å; L187-Y191 HydrophobicContact CG-CE2 3.51Å; L187-Y191 VanDerWaalsContact O-CD2 3.26Å; L187-Y191 WeakPolarHBondContact O-CD2 3.47Å; L187-Y191 PolarHBondContact O-N 3.43Å; G188-Y191 PolarHBondContact O-N 3.42Å; G188-Y191 VanDerWaalsContact O-N 3.11Å; N189-Y191 PolarHBondContact O-N 2.97Å; Y191-L194 HydrophobicContact CD1-CD2 4.5Å; Y191-L194 PolarHBondContact O-N 3.46Å; Y191-F195 WeakPolarHBondContact O-CB 3.36Å; Y191-F195 PolarHBondContact O-N 3.18Å; Y191-Q207 HydrophobicContact CD1-CB 4.16Å; Y191-Q207 HydrophobicContact CD2-CB 3.81Å; Y191-Q207 HydrophobicContact CE1-CB 4.22Å; Y191-Q207 VanDerWaalsContact CE1-OE1 3.3Å; Y191-Q207 HydrophobicContact CE2-CB 3.84Å; Y191-Q207 HydrophobicContact CG-CB 3.97Å; Y191-A211 HydrophobicContact CD2-CB 4.47Å
192I92.8Very high91.3Very high2 Ų224.4 Ų24.41%0.0115%0.151CC..Hα-helixtrans-61-48.4173-60-167.4000110G188 N189 L194 F195 F196 A208 Y212 N231 L235 Y437G188-I192 WeakPolarHBondContact O-CG1 3.47Å; G188-I192 PolarHBondContact O-N 2.77Å; N189-I192 PolarHBondContact O-N 3.31Å; I192-L194 VanDerWaalsContact C-N 3.27Å; I192-L194 PolarHBondContact O-N 2.94Å; I192-F195 WeakPolarHBondContact O-CB 3.41Å; I192-F195 PolarHBondContact O-N 3.17Å; I192-F196 HydrophobicContact CG2-CD2 3.6Å; I192-F196 HydrophobicContact CG2-CE2 3.44Å; I192-F196 VanDerWaalsContact CG2-CE2 3.44Å; I192-F196 VanDerWaalsContact O-CD2 3.3Å; I192-F196 WeakPolarHBondContact O-CD2 3.21Å; I192-F196 PolarHBondContact O-N 3.26Å; I192-A208 HydrophobicContact CG1-CB 3.83Å; I192-Y212 HydrophobicContact CD1-CE2 3.69Å; I192-Y212 WeakPolarHBondContact CD1-OH 3.46Å; I192-Y212 HydrophobicContact CG1-CE2 4.04Å; I192-Y212 WeakPolarHBondContact CG1-OH 3.32Å; I192-N231 HydrophobicContact CD1-CB 4.27Å; I192-N231 WeakPolarHBondContact CD1-O 3.23Å; I192-L235 HydrophobicContact CD1-CB 4.09Å; I192-L235 HydrophobicContact CD1-CD2 4.44Å; I192-L235 HydrophobicContact CG1-CD2 4.19Å; I192-Y437 WeakPolarHBondContact CB-OH 3.49Å; I192-Y437 WeakPolarHBondContact CG2-OH 3.49Å
193S91.4Very high90.9Very high7 Ų728.5 Ų28.55%0.04917%0.167CC..Hα-helixtrans-61.2-38.3177.6-59.40000112R151 N189 A190 F196 T197R151-S193 WeakPolarHBondContact CD-OG 3.12Å; N189-S193 PolarHBondContact O-N 2.94Å; N189-S193 PolarHBondContact O-OG 3.34Å; A190-S193 PolarHBondContact O-N 3.39Å; S193-F196 PolarHBondContact O-N 2.93Å; S193-T197 VanDerWaalsContact O-CB 3.26Å; S193-T197 WeakPolarHBondContact O-CB 3.49Å; S193-T197 PolarHBondContact O-N 3.11Å; S193-T197 PolarHBondContact O-OG1 2.99Å
194L91Very high90.5Very high13 Ų1330 Ų307%0.06817%0.174CC..Hα-helixtrans-64.3-42.5175.4-175.962.6000111.7V163 L164 V167 A190 Y191 I192 F196 T197 C198 M204V163-L194 HydrophobicContact CG1-CB 3.77Å; V163-L194 HydrophobicContact CG1-CD1 4.01Å; V163-L194 VanDerWaalsContact CG1-N 3.34Å; L164-L194 HydrophobicContact CD2-CD1 3.66Å; L164-L194 HydrophobicContact CD2-CD2 4.36Å; L164-L194 HydrophobicContact CG-CD1 4.21Å; V167-L194 HydrophobicContact CG2-CB 4.18Å; V167-L194 HydrophobicContact CG2-CD2 4.11Å; A190-L194 WeakPolarHBondContact O-CB 3.45Å; A190-L194 PolarHBondContact O-N 3.47Å; Y191-L194 HydrophobicContact CD1-CD2 4.5Å; Y191-L194 PolarHBondContact O-N 3.46Å; I192-L194 VanDerWaalsContact C-N 3.27Å; I192-L194 PolarHBondContact O-N 2.94Å; L194-F196 PolarHBondContact O-N 3.32Å; L194-T197 PolarHBondContact O-N 3.26Å; L194-C198 HydrophobicContact CD1-CB 4.11Å; L194-C198 WeakPolarHBondContact CD1-SG 3.44Å; L194-C198 WeakPolarHBondContact O-CB 3.48Å; L194-C198 PolarHBondContact O-N 2.95Å; L194-M204 HydrophobicContact CD2-CG 4.39Å; L194-M204 HydrophobicContact CD2-SD 3.53Å; L194-M204 VanDerWaalsContact CD2-SD 3.53Å; L194-M204 HydrophobicContact CG-CG 4.47Å; L194-M204 HydrophobicContact CG-SD 4.23Å
195F90.4Very high90.2Very high1 Ų127.5 Ų27.50%0.00417%0.165CC..Hα-helixtrans-55.9-51175.5172.8-101.3000111.5Y191 I192 T197 Q200 N201 M204 L235 Y238Y191-F195 WeakPolarHBondContact O-CB 3.36Å; Y191-F195 PolarHBondContact O-N 3.18Å; I192-F195 WeakPolarHBondContact O-CB 3.41Å; I192-F195 PolarHBondContact O-N 3.17Å; F195-T197 PolarHBondContact O-N 3.36Å; F195-Q200 HydrophobicContact CD1-CG 4.18Å; F195-Q200 HydrophobicContact CD2-CB 4.16Å; F195-Q200 HydrophobicContact CE1-CB 4.09Å; F195-Q200 HydrophobicContact CE1-CG 3.82Å; F195-Q200 VanDerWaalsContact CE2-C 3.44Å; F195-Q200 VanDerWaalsContact CE2-CA 3.5Å; F195-Q200 HydrophobicContact CE2-CB 3.65Å; F195-Q200 HydrophobicContact CE2-CG 4.29Å; F195-Q200 WeakPolarHBondContact CE2-O 3.41Å; F195-Q200 HydrophobicContact CZ-CB 3.63Å; F195-Q200 HydrophobicContact CZ-CG 3.91Å; F195-Q200 WeakPolarHBondContact O-CA 3.42Å; F195-Q200 PolarHBondContact O-N 3.01Å; F195-N201 WeakPolarHBondContact CD2-O 3.45Å; F195-M204 HydrophobicContact CB-CB 3.98Å; F195-M204 HydrophobicContact CD2-CB 4.28Å; F195-L235 HydrophobicContact CD1-CD1 3.96Å; F195-L235 HydrophobicContact CE1-CD1 3.84Å; F195-L235 HydrophobicContact CZ-CD1 4.35Å; F195-Y238 AromaticContact CE1-CD1 3.51Å; F195-Y238 HydrophobicContact CE1-CD1 3.51Å; F195-Y238 AromaticContact CE1-CE1 3.62Å; F195-Y238 HydrophobicContact CE1-CE1 3.62Å; F195-Y238 HydrophobicContact CE1-CG 4.15Å; F195-Y238 AromaticContact CZ-CD1 3.5Å; F195-Y238 HydrophobicContact CZ-CD1 3.5Å; F195-Y238 VanDerWaalsContact CZ-CD1 3.5Å; F195-Y238 AromaticContact CZ-CE1 3.37Å; F195-Y238 HydrophobicContact CZ-CE1 3.37Å
196F87.4Confident90Very high14 Ų1432.7 Ų32.76%0.06119%0.189CC..Hα-helixtrans-73-25.6179.9-71.9-69.9000114.1I192 S193 L194 Q200 Y238 A433 V435I192-F196 HydrophobicContact CG2-CD2 3.6Å; I192-F196 HydrophobicContact CG2-CE2 3.44Å; I192-F196 VanDerWaalsContact CG2-CE2 3.44Å; I192-F196 VanDerWaalsContact O-CD2 3.3Å; I192-F196 WeakPolarHBondContact O-CD2 3.21Å; I192-F196 PolarHBondContact O-N 3.26Å; S193-F196 PolarHBondContact O-N 2.93Å; L194-F196 PolarHBondContact O-N 3.32Å; F196-Q200 HydrophobicContact CD1-CG 4.37Å; F196-Q200 PolarHBondContact O-NE2 2.87Å; F196-Q200 VanDerWaalsContact O-NE2 3.1Å; F196-Y238 AromaticContact CE1-CD2 3.6Å; F196-Y238 HydrophobicContact CE1-CD2 3.6Å; F196-Y238 AromaticContact CE1-CE2 3.86Å; F196-Y238 HydrophobicContact CE1-CE2 3.86Å; F196-Y238 AromaticContact CE1-CG 3.99Å; F196-Y238 HydrophobicContact CE1-CG 3.99Å; F196-Y238 HydrophobicContact CZ-CD2 4.09Å; F196-Y238 HydrophobicContact CZ-CG 4.09Å; F196-A433 HydrophobicContact CD1-CB 4.41Å; F196-V435 HydrophobicContact CD1-CG2 3.94Å; F196-V435 HydrophobicContact CD2-CB 4.12Å; F196-V435 HydrophobicContact CD2-CG2 3.58Å; F196-V435 HydrophobicContact CE1-CG2 3.7Å; F196-V435 HydrophobicContact CE2-CB 4.23Å; F196-V435 HydrophobicContact CE2-CG2 3.31Å; F196-V435 HydrophobicContact CG-CB 4.48Å; F196-V435 HydrophobicContact CG-CG2 3.9Å; F196-V435 HydrophobicContact CZ-CG2 3.39Å
197T85.2Confident89.9Confident55 Ų5536 Ų3634%0.33720%0.204SC..Hα-helixtrans-86.1-30.1-179-51.60000112.7Q159 S193 L194 F195Q159-T197 HydrophobicContact CG-CG2 4.17Å; S193-T197 VanDerWaalsContact O-CB 3.26Å; S193-T197 WeakPolarHBondContact O-CB 3.49Å; S193-T197 PolarHBondContact O-N 3.11Å; S193-T197 PolarHBondContact O-OG1 2.99Å; L194-T197 PolarHBondContact O-N 3.26Å; F195-T197 PolarHBondContact O-N 3.36Å
198C79.5Confident89.9Confident65 Ų6535.7 Ų35.744%0.43920%0.203SC..THydrogen-bonded Turntrans-114.146.4-172.2-65.40000113.3L194 Q200L194-C198 HydrophobicContact CD1-CB 4.11Å; L194-C198 WeakPolarHBondContact CD1-SG 3.44Å; L194-C198 WeakPolarHBondContact O-CB 3.48Å; L194-C198 PolarHBondContact O-N 2.95Å; C198-Q200 PolarHBondContact O-N 2.7Å
199G76.2Confident89.8Confident57 Ų5736.8 Ų36.859%0.58821%0.208SC*.THydrogen-bonded Turntrans72.224.9167.700000115.3N201G199-N201 PolarHBondContact O-N 2.99Å
200Q84.8Confident89.9Confident19 Ų1940.2 Ų40.29%0.08923%0.233CC..THydrogen-bonded Turntrans55.443.9170.3-6184.719.400114.2F195 F196 C198 P202 Y238 N373 A433F195-Q200 HydrophobicContact CD1-CG 4.18Å; F195-Q200 HydrophobicContact CD2-CB 4.16Å; F195-Q200 HydrophobicContact CE1-CB 4.09Å; F195-Q200 HydrophobicContact CE1-CG 3.82Å; F195-Q200 VanDerWaalsContact CE2-C 3.44Å; F195-Q200 VanDerWaalsContact CE2-CA 3.5Å; F195-Q200 HydrophobicContact CE2-CB 3.65Å; F195-Q200 HydrophobicContact CE2-CG 4.29Å; F195-Q200 WeakPolarHBondContact CE2-O 3.41Å; F195-Q200 HydrophobicContact CZ-CB 3.63Å; F195-Q200 HydrophobicContact CZ-CG 3.91Å; F195-Q200 WeakPolarHBondContact O-CA 3.42Å; F195-Q200 PolarHBondContact O-N 3.01Å; F196-Q200 HydrophobicContact CD1-CG 4.37Å; F196-Q200 PolarHBondContact O-NE2 2.87Å; F196-Q200 VanDerWaalsContact O-NE2 3.1Å; C198-Q200 PolarHBondContact O-N 2.7Å; Q200-P202 WeakPolarHBondContact O-CD 3.35Å; Q200-Y238 HydrophobicContact CB-CE1 4.33Å; Q200-Y238 HydrophobicContact CG-CE1 4.22Å; Q200-Y238 WeakPolarHBondContact CG-OH 3.2Å; Q200-N373 PolarHBondContact OE1-OD1 2.93Å; Q200-A433 PolarHBondContact NE2-O 2.81Å
201N83Confident90.1Very high68 Ų6840.3 Ų40.336%0.36423%0.234SC..  trans-59.9120.5173.3-179.9-16.5000110.4F195 G199 Q203 M204F195-N201 WeakPolarHBondContact CD2-O 3.45Å; G199-N201 PolarHBondContact O-N 2.99Å; N201-Q203 PolarHBondContact O-N 3.27Å; N201-Q203 WeakPolarHBondContact OD1-CB 3.43Å; N201-Q203 PolarHBondContact OD1-N 3.17Å; N201-M204 HydrophobicContact CB-CG 4.18Å; N201-M204 WeakPolarHBondContact O-CB 3.33Å; N201-M204 PolarHBondContact O-N 3.07Å
202P84.9Confident90.2Very high85 Ų8539.5 Ų39.555%0.55223%0.231SC*.Hα-helixtrans-56.1-26-178.5-27.535.4000114.6Q200 M204 S205 Q206Q200-P202 WeakPolarHBondContact O-CD 3.35Å; P202-M204 PolarHBondContact O-N 3.26Å; P202-S205 PolarHBondContact O-N 3.16Å; P202-S205 PolarHBondContact O-OG 3.38Å; P202-Q206 WeakPolarHBondContact O-CG 3.34Å; P202-Q206 PolarHBondContact O-N 2.9Å; P202-Q206 VanDerWaalsContact O-N 3.09Å
203Q88.9Confident90.4Very high130 Ų13041.8 Ų41.861%0.60725%0.25SS*.Hα-helixtrans-62.1-34.4175.3-66.3178.8-5.500112N201 Q207N201-Q203 PolarHBondContact O-N 3.27Å; N201-Q203 WeakPolarHBondContact OD1-CB 3.43Å; N201-Q203 PolarHBondContact OD1-N 3.17Å; Q203-Q207 VanDerWaalsContact O-CG 3.29Å; Q203-Q207 WeakPolarHBondContact O-CG 3.45Å; Q203-Q207 PolarHBondContact O-N 3.16Å
204M88.9Confident90.7Very high31 Ų3144 Ų4415%0.15326%0.26CS..Hα-helixtrans-73.6-37.5-179.6-57.2-61.3100.300111.2L194 F195 N201 P202 Q207 A208L194-M204 HydrophobicContact CD2-CG 4.39Å; L194-M204 HydrophobicContact CD2-SD 3.53Å; L194-M204 VanDerWaalsContact CD2-SD 3.53Å; L194-M204 HydrophobicContact CG-CG 4.47Å; L194-M204 HydrophobicContact CG-SD 4.23Å; F195-M204 HydrophobicContact CB-CB 3.98Å; F195-M204 HydrophobicContact CD2-CB 4.28Å; N201-M204 HydrophobicContact CB-CG 4.18Å; N201-M204 WeakPolarHBondContact O-CB 3.33Å; N201-M204 PolarHBondContact O-N 3.07Å; P202-M204 PolarHBondContact O-N 3.26Å; M204-Q207 PolarHBondContact O-N 3.28Å; M204-Q207 PolarHBondContact SD-OE1 3.2Å; M204-A208 PolarHBondContact O-N 3.42Å
205S91.6Very high91Very high0 Ų043.4 Ų43.40%026%0.256CS..Hα-helixtrans-65.3-41.5174.261.40000111.3P202 Q207 A208 L209 E239P202-S205 PolarHBondContact O-N 3.16Å; P202-S205 PolarHBondContact O-OG 3.38Å; S205-Q207 VanDerWaalsContact C-N 3.34Å; S205-Q207 PolarHBondContact O-N 2.95Å; S205-A208 PolarHBondContact O-N 3.46Å; S205-L209 WeakPolarHBondContact O-CG 3.49Å; S205-L209 PolarHBondContact O-N 2.85Å; S205-E239 WeakPolarHBondContact CB-OE1 3.32Å; S205-E239 PolarHBondContact OG-OE1 3.44Å
206Q94.6Very high91.3Very high110 Ų11044.9 Ų44.951%0.51426%0.263SS..Hα-helixtrans-62.1-40.2173.6-65.2-54.7-51.300112.6P202 L209 S210P202-Q206 WeakPolarHBondContact O-CG 3.34Å; P202-Q206 PolarHBondContact O-N 2.9Å; P202-Q206 VanDerWaalsContact O-N 3.09Å; Q206-L209 PolarHBondContact O-N 3.21Å; Q206-S210 VanDerWaalsContact O-CB 3.32Å; Q206-S210 WeakPolarHBondContact O-CB 3.39Å; Q206-S210 PolarHBondContact O-N 2.92Å
207Q96.2Very high91.8Very high69 Ų6952 Ų5232%0.32229%0.294SS..Hα-helixtrans-63.8-41.4175.1-77.3178.1-22.500112.3Y191 Q203 M204 S205 S210 A211Y191-Q207 HydrophobicContact CD1-CB 4.16Å; Y191-Q207 HydrophobicContact CD2-CB 3.81Å; Y191-Q207 HydrophobicContact CE1-CB 4.22Å; Y191-Q207 VanDerWaalsContact CE1-OE1 3.3Å; Y191-Q207 HydrophobicContact CE2-CB 3.84Å; Y191-Q207 HydrophobicContact CG-CB 3.97Å; Q203-Q207 VanDerWaalsContact O-CG 3.29Å; Q203-Q207 WeakPolarHBondContact O-CG 3.45Å; Q203-Q207 PolarHBondContact O-N 3.16Å; M204-Q207 PolarHBondContact O-N 3.28Å; M204-Q207 PolarHBondContact SD-OE1 3.2Å; S205-Q207 VanDerWaalsContact C-N 3.34Å; S205-Q207 PolarHBondContact O-N 2.95Å; Q207-S210 PolarHBondContact O-N 3.46Å; Q207-A211 WeakPolarHBondContact O-CB 3.02Å; Q207-A211 PolarHBondContact O-N 3.26Å
208A96.1Very high92.4Very high0 Ų051.7 Ų51.70%029%0.292CS..Hα-helixtrans-61.3-50.917500000111.5I192 M204 S205 S210 A211 Y212 L235I192-A208 HydrophobicContact CG1-CB 3.83Å; M204-A208 PolarHBondContact O-N 3.42Å; S205-A208 PolarHBondContact O-N 3.46Å; A208-S210 VanDerWaalsContact C-N 3.32Å; A208-S210 PolarHBondContact O-N 3.21Å; A208-A211 WeakPolarHBondContact O-CB 3.45Å; A208-A211 PolarHBondContact O-N 3.4Å; A208-A211 VanDerWaalsContact O-N 3.1Å; A208-Y212 HydrophobicContact CB-CE2 4.38Å; A208-Y212 WeakPolarHBondContact O-CD2 3.46Å; A208-Y212 PolarHBondContact O-N 3.34Å; A208-L235 HydrophobicContact CB-CD2 3.74Å
209L96.4Very high93Very high23 Ų2350.4 Ų50.412%0.1228%0.281CS..Hα-helixtrans-60.5-41.1179-67.3176000112.2S205 Q206 A211 A213 R232 L235 F236 M241S205-L209 WeakPolarHBondContact O-CG 3.49Å; S205-L209 PolarHBondContact O-N 2.85Å; Q206-L209 PolarHBondContact O-N 3.21Å; L209-A211 VanDerWaalsContact C-N 3.33Å; L209-A211 PolarHBondContact O-N 3.03Å; L209-A213 WeakPolarHBondContact O-CB 3.47Å; L209-A213 PolarHBondContact O-N 3.34Å; L209-R232 HydrophobicContact CD2-CG 3.98Å; L209-L235 HydrophobicContact CD2-CD2 3.83Å; L209-L235 HydrophobicContact CD2-CG 4.39Å; L209-L235 HydrophobicContact CG-CD2 3.78Å; L209-F236 HydrophobicContact CD1-CD1 4.39Å; L209-F236 HydrophobicContact CD1-CE1 4.01Å; L209-F236 HydrophobicContact CD2-CD1 3.81Å; L209-F236 HydrophobicContact CD2-CE1 3.38Å; L209-F236 HydrophobicContact CD2-CZ 3.92Å; L209-F236 HydrophobicContact CG-CE1 4.31Å; L209-M241 HydrophobicContact CD1-CE 3.91Å
210S97.8Very high93.7Very high78 Ų7857.3 Ų57.355%0.54529%0.289SS..Hα-helixtrans-65-36.5175.3-175.50000112.3Q206 Q207 A208 Q214Q206-S210 VanDerWaalsContact O-CB 3.32Å; Q206-S210 WeakPolarHBondContact O-CB 3.39Å; Q206-S210 PolarHBondContact O-N 2.92Å; Q207-S210 PolarHBondContact O-N 3.46Å; A208-S210 VanDerWaalsContact C-N 3.32Å; A208-S210 PolarHBondContact O-N 3.21Å; S210-Q214 VanDerWaalsContact O-CB 3.27Å; S210-Q214 WeakPolarHBondContact O-CB 3.48Å; S210-Q214 PolarHBondContact O-N 2.88Å
211A98.2Very high94.1Very high2 Ų257.6 Ų57.62%0.01729%0.292CS..Hα-helixtrans-68-44.3178.500000111.3W184 L187 Y191 Q207 A208 L209 Q214 A215W184-A211 HydrophobicContact CE3-CB 4.2Å; L187-A211 HydrophobicContact CG-CB 4.4Å; Y191-A211 HydrophobicContact CD2-CB 4.47Å; Q207-A211 WeakPolarHBondContact O-CB 3.02Å; Q207-A211 PolarHBondContact O-N 3.26Å; A208-A211 WeakPolarHBondContact O-CB 3.45Å; A208-A211 PolarHBondContact O-N 3.4Å; A208-A211 VanDerWaalsContact O-N 3.1Å; L209-A211 VanDerWaalsContact C-N 3.33Å; L209-A211 PolarHBondContact O-N 3.03Å; A211-Q214 PolarHBondContact O-N 3.1Å; A211-A215 PolarHBondContact O-N 3Å
212Y97.8Very high94.6Very high0 Ų054.7 Ų54.70%028%0.276CS..Hα-helixtrans-62.5-44.6174.2-63.8-55.3000112.9Y185 G188 N189 I192 A208 Q214 A215 E216 L228 R232Y185-Y212 AromaticContact CD2-CD1 3.93Å; Y185-Y212 HydrophobicContact CD2-CD1 3.93Å; Y185-Y212 AromaticContact CD2-CE1 3.62Å; Y185-Y212 HydrophobicContact CD2-CE1 3.62Å; Y185-Y212 AromaticContact CE2-CE1 3.96Å; Y185-Y212 HydrophobicContact CE2-CE1 3.96Å; G188-Y212 VanDerWaalsContact C-OH 3.3Å; N189-Y212 WeakPolarHBondContact CA-OH 3.37Å; N189-Y212 PolarHBondContact N-OH 3.5Å; N189-Y212 WeakPolarHBondContact OD1-CE1 3.18Å; N189-Y212 PolarHBondContact OD1-OH 2.57Å; I192-Y212 HydrophobicContact CD1-CE2 3.69Å; I192-Y212 WeakPolarHBondContact CD1-OH 3.46Å; I192-Y212 HydrophobicContact CG1-CE2 4.04Å; I192-Y212 WeakPolarHBondContact CG1-OH 3.32Å; A208-Y212 HydrophobicContact CB-CE2 4.38Å; A208-Y212 WeakPolarHBondContact O-CD2 3.46Å; A208-Y212 PolarHBondContact O-N 3.34Å; Y212-Q214 PolarHBondContact O-N 3.29Å; Y212-A215 WeakPolarHBondContact O-CB 3.5Å; Y212-A215 PolarHBondContact O-N 3.29Å; Y212-A215 VanDerWaalsContact O-N 3.15Å; Y212-E216 PolarHBondContact O-N 3.42Å; Y212-E216 VanDerWaalsContact O-N 3.17Å; Y212-L228 HydrophobicContact CD1-CD1 4.27Å; Y212-L228 HydrophobicContact CD1-CD2 4.41Å; Y212-L228 HydrophobicContact CD1-CG 3.8Å; Y212-L228 HydrophobicContact CE1-CG 4.44Å; Y212-L228 HydrophobicContact CG-CG 4.44Å; Y212-R232 HydrophobicContact CD2-CB 4Å; Y212-R232 HydrophobicContact CD2-CG 4.21Å; Y212-R232 HydrophobicContact CE2-CB 4.26Å; Y212-R232 HydrophobicContact CG-CB 4.43Å
213A97.5Very high95Very high51 Ų5153.3 Ų53.342%0.42127%0.265SS..Hα-helixtrans-62.6-34.6176.900000111.9L209 K217L209-A213 WeakPolarHBondContact O-CB 3.47Å; L209-A213 PolarHBondContact O-N 3.34Å; A213-K217 VanDerWaalsContact O-CB 3.27Å; A213-K217 WeakPolarHBondContact O-CB 3.3Å; A213-K217 PolarHBondContact O-N 3.45Å
214Q98.3Very high95.2Very high53 Ų5348.4 Ų48.425%0.24824%0.244CC..Hα-helixtrans-70.6-37.7175.1-174.163.419.800111.7W184 S210 A211 Y212 K217 V218W184-Q214 HydrophobicContact CD2-CB 4Å; W184-Q214 HydrophobicContact CD2-CG 3.55Å; W184-Q214 VanDerWaalsContact CE2-CG 3.44Å; W184-Q214 HydrophobicContact CE3-CB 4.08Å; W184-Q214 HydrophobicContact CE3-CG 3.97Å; W184-Q214 HydrophobicContact CG-CB 4.31Å; W184-Q214 HydrophobicContact CG-CG 3.96Å; W184-Q214 HydrophobicContact CH2-CG 4.18Å; W184-Q214 HydrophobicContact CZ2-CG 3.78Å; W184-Q214 HydrophobicContact CZ3-CG 4.27Å; S210-Q214 VanDerWaalsContact O-CB 3.27Å; S210-Q214 WeakPolarHBondContact O-CB 3.48Å; S210-Q214 PolarHBondContact O-N 2.88Å; A211-Q214 PolarHBondContact O-N 3.1Å; Y212-Q214 PolarHBondContact O-N 3.29Å; Q214-K217 PolarHBondContact O-N 2.87Å; Q214-V218 HydrophobicContact CG-CG1 4.38Å; Q214-V218 WeakPolarHBondContact O-CG2 3.47Å; Q214-V218 PolarHBondContact O-N 3.41Å
215A98Very high95.5Very high0 Ų048.1 Ų48.10%024%0.244CC..Hα-helixtrans-55.8-55.3175.100000111.4G181 W184 A211 Y212 K217 V218 D219 E222 L228G181-A215 WeakPolarHBondContact O-CB 3.33Å; W184-A215 HydrophobicContact CB-CB 3.65Å; A211-A215 PolarHBondContact O-N 3Å; Y212-A215 WeakPolarHBondContact O-CB 3.5Å; Y212-A215 PolarHBondContact O-N 3.29Å; Y212-A215 VanDerWaalsContact O-N 3.15Å; A215-K217 PolarHBondContact O-N 3.49Å; A215-V218 PolarHBondContact O-N 2.94Å; A215-D219 PolarHBondContact O-N 3.41Å; A215-E222 HydrophobicContact CB-CB 4.39Å; A215-E222 HydrophobicContact CB-CG 4.25Å; A215-L228 HydrophobicContact CB-CD1 4.18Å
216E96.7Very high95.8Very high33 Ų3349.2 Ų49.215%0.15425%0.251CS..Hα-helixtrans-62.1-28.1178.2-69.9173.2137.700113.5Y212 D219 N223 L228 H229 R232Y212-E216 PolarHBondContact O-N 3.42Å; Y212-E216 VanDerWaalsContact O-N 3.17Å; E216-D219 CarbonylContact C-O 3.56Å; E216-N223 WeakPolarHBondContact CB-OD1 3.3Å; E216-N223 WeakPolarHBondContact CG-OD1 3.25Å; E216-L228 HydrophobicContact CG-CD1 4.28Å; E216-L228 HydrophobicContact CG-CD2 4.37Å; E216-H229 IonicContact OE1-CE1 2.63Å; E216-H229 PolarHBondContact OE1-CE1 3.48Å; E216-R232 VanDerWaalsContact CD-NH1 3.31Å; E216-R232 IonicContact OE1-CZ 3.59Å; E216-R232 IonicContact OE1-NH1 3.18Å; E216-R232 PolarHBondContact OE1-NH1 3.08Å; E216-R232 IonicContact OE1-NH2 2.76Å; E216-R232 PolarHBondContact OE1-NH2 2.99Å; E216-R232 IonicContact OE2-CZ 2.86Å; E216-R232 IonicContact OE2-NH1 3.42Å; E216-R232 PolarHBondContact OE2-NH1 2.95Å; E216-R232 IonicContact OE2-NH2 3.41Å
217K97.4Very high95.8Very high163 Ų16345.1 Ų45.171%0.70923%0.233SC*.Hα-helixtrans-76.4-41-179.8179-178174.2-173.10112.3A213 Q214 A215A213-K217 VanDerWaalsContact O-CB 3.27Å; A213-K217 WeakPolarHBondContact O-CB 3.3Å; A213-K217 PolarHBondContact O-N 3.45Å; Q214-K217 PolarHBondContact O-N 2.87Å; A215-K217 PolarHBondContact O-N 3.49Å
218V97.1Very high95.8Very high48 Ų4841.9 Ų41.929%0.29122%0.217SC..Hα-helixtrans-86.3-27.2-177.2-590000112.4T179 Q214 A215T179-V218 WeakPolarHBondContact O-CG2 3.02Å; Q214-V218 HydrophobicContact CG-CG1 4.38Å; Q214-V218 WeakPolarHBondContact O-CG2 3.47Å; Q214-V218 PolarHBondContact O-N 3.41Å; A215-V218 PolarHBondContact O-N 2.94Å
219D93.4Very high95.8Very high38 Ų3842.4 Ų42.420%0.20322%0.22CC..  trans-136.5120.7-176.8-168.6-20.6000110G181 A215 E216 T221 E222G181-D219 VanDerWaalsContact CA-CB 3.49Å; A215-D219 PolarHBondContact O-N 3.41Å; E216-D219 CarbonylContact C-O 3.56Å; D219-T221 VanDerWaalsContact C-N 3.31Å; D219-T221 PolarHBondContact O-N 3.43Å; D219-T221 WeakPolarHBondContact OD1-CB 3.5Å; D219-T221 WeakPolarHBondContact OD1-CG2 3.48Å; D219-T221 PolarHBondContact OD1-N 3.07Å; D219-T221 PolarHBondContact OD1-OG1 2.93Å; D219-T221 PolarHBondContact OD2-OG1 3.17Å; D219-E222 HydrophobicContact CB-CG 4.1Å
220R91Very high95.9Very high202 Ų20242.1 Ų42.176%0.76222%0.217SC*.SBendtrans-74.7-24.7-177.3-70.3-176.1-179.9174.11112.5E222 N223R220-E222 PolarHBondContact O-N 3.5Å; R220-N223 WeakPolarHBondContact CA-ND2 3.33Å; R220-N223 VanDerWaalsContact O-CB 3.32Å; R220-N223 WeakPolarHBondContact O-CB 3.21Å; R220-N223 PolarHBondContact O-N 3.01Å; R220-N223 PolarHBondContact O-ND2 3.39Å; R220-N223 VanDerWaalsContact O-ND2 3.08Å
221T91.8Very high95.7Very high25 Ų2539.1 Ų39.115%0.15320%0.196CC..G310 helixtrans-62.1-31.1179.665.10000111.1H33 D219 N223 S224H33-T221 VanDerWaalsContact CD2-CG2 3.45Å; H33-T221 WeakPolarHBondContact CD2-CG2 3.42Å; H33-T221 WeakPolarHBondContact NE2-CG2 3.35Å; D219-T221 VanDerWaalsContact C-N 3.31Å; D219-T221 PolarHBondContact O-N 3.43Å; D219-T221 WeakPolarHBondContact OD1-CB 3.5Å; D219-T221 WeakPolarHBondContact OD1-CG2 3.48Å; D219-T221 PolarHBondContact OD1-N 3.07Å; D219-T221 PolarHBondContact OD1-OG1 2.93Å; D219-T221 PolarHBondContact OD2-OG1 3.17Å; T221-N223 PolarHBondContact O-N 3.43Å; T221-S224 WeakPolarHBondContact O-CA 3.49Å; T221-S224 WeakPolarHBondContact O-CB 3.39Å; T221-S224 PolarHBondContact O-N 3.21Å
222E93.4Very high95.7Very high7 Ų740.7 Ų40.73%0.03320%0.201CC..G310 helixtrans-65-21.4176.2-64.6-62.5159.200113.3T182 A215 D219 R220 S224 N225 L228T182-E222 WeakPolarHBondContact CA-OE1 3.47Å; T182-E222 WeakPolarHBondContact CB-OE1 3.4Å; T182-E222 PolarHBondContact N-OE1 3.1Å; T182-E222 PolarHBondContact OG1-OE1 3.17Å; A215-E222 HydrophobicContact CB-CB 4.39Å; A215-E222 HydrophobicContact CB-CG 4.25Å; D219-E222 HydrophobicContact CB-CG 4.1Å; R220-E222 PolarHBondContact O-N 3.5Å; E222-S224 PolarHBondContact O-N 2.72Å; E222-N225 WeakPolarHBondContact O-CB 3.36Å; E222-N225 PolarHBondContact O-N 2.89Å; E222-N225 VanDerWaalsContact O-N 3.15Å; E222-N225 PolarHBondContact OE2-ND2 3.02Å; E222-L228 HydrophobicContact CB-CD1 4.05Å
223N93.2Very high95.6Very high57 Ų5740.7 Ų40.731%0.30520%0.201SC..G310 helixtrans-66-16.7170.7-64.5-64000112.7E216 R220 T221 H229 R251E216-N223 WeakPolarHBondContact CB-OD1 3.3Å; E216-N223 WeakPolarHBondContact CG-OD1 3.25Å; R220-N223 WeakPolarHBondContact CA-ND2 3.33Å; R220-N223 VanDerWaalsContact O-CB 3.32Å; R220-N223 WeakPolarHBondContact O-CB 3.21Å; R220-N223 PolarHBondContact O-N 3.01Å; R220-N223 PolarHBondContact O-ND2 3.39Å; R220-N223 VanDerWaalsContact O-ND2 3.08Å; T221-N223 PolarHBondContact O-N 3.43Å; N223-H229 PolarHBondContact O-NE2 3.39Å; N223-R251 PolarHBondContact O-NH2 3.42Å
224S94.7Very high95.4Very high26 Ų2638.9 Ų38.918%0.18219%0.185CC..G310 helixtrans-108.510.2178.9-560000112.6T221 E222 P226T221-S224 WeakPolarHBondContact O-CA 3.49Å; T221-S224 WeakPolarHBondContact O-CB 3.39Å; T221-S224 PolarHBondContact O-N 3.21Å; E222-S224 PolarHBondContact O-N 2.72Å; S224-P226 VanDerWaalsContact O-CD 3.31Å; S224-P226 WeakPolarHBondContact O-CD 3.41Å
225N95.1Very high95.2Very high26 Ų2636.3 Ų36.314%0.13917%0.173CC..  trans-83109173.6-179.9-16.8000110.1E222 D227 L228 H229E222-N225 WeakPolarHBondContact O-CB 3.36Å; E222-N225 PolarHBondContact O-N 2.89Å; E222-N225 VanDerWaalsContact O-N 3.15Å; E222-N225 PolarHBondContact OE2-ND2 3.02Å; N225-D227 PolarHBondContact O-N 2.94Å; N225-D227 PolarHBondContact OD1-N 3.13Å; N225-D227 VanDerWaalsContact OD1-N 3.1Å; N225-L228 HydrophobicContact CB-CB 3.89Å; N225-L228 PolarHBondContact O-N 3.3Å; N225-L228 PolarHBondContact OD1-N 3.11Å; N225-L228 VanDerWaalsContact OD1-N 3.16Å; N225-H229 PolarHBondContact O-CD2 3.39Å; N225-H229 PolarHBondContact O-N 3.03Å
226P96.1Very high95.1Very high23 Ų2337.9 Ų37.915%0.14918%0.179CC..Hα-helixtrans-63.7-40.1-178.325.5-33.1000112.6S224 L228 H229 F230 A252 L255 D256 W259S224-P226 VanDerWaalsContact O-CD 3.31Å; S224-P226 WeakPolarHBondContact O-CD 3.41Å; P226-L228 VanDerWaalsContact C-N 3.33Å; P226-L228 PolarHBondContact O-N 2.98Å; P226-H229 PolarHBondContact O-N 2.94Å; P226-F230 PolarHBondContact O-N 3.06Å; P226-A252 WeakPolarHBondContact O-CB 3.05Å; P226-L255 HydrophobicContact CB-CB 3.94Å; P226-D256 HydrophobicContact CB-CB 4.11Å; P226-D256 HydrophobicContact CG-CB 4.23Å; P226-W259 HydrophobicContact CB-CE3 4.31Å; P226-W259 HydrophobicContact CB-CZ3 4.2Å
227D95.1Very high94.9Very high24 Ų2437.7 Ų37.713%0.12818%0.179CC..Hα-helixtrans-63.6-37.7-179.9-63.5-84.3000112.2Y185 N225 H229 F230 N231Y185-D227 WeakPolarHBondContact OH-CB 3.32Å; N225-D227 PolarHBondContact O-N 2.94Å; N225-D227 PolarHBondContact OD1-N 3.13Å; N225-D227 VanDerWaalsContact OD1-N 3.1Å; D227-H229 PolarHBondContact O-N 2.95Å; D227-F230 PolarHBondContact O-N 2.92Å; D227-N231 WeakPolarHBondContact O-CB 3.47Å; D227-N231 PolarHBondContact O-N 3.22Å; D227-N231 PolarHBondContact O-ND2 2.95Å; D227-N231 VanDerWaalsContact O-ND2 3.13Å
228L96.3Very high94.7Very high0 Ų030 Ų300%015%0.145CC..Hα-helixtrans-56.7-51.5174-174.4158.8000111.2Y185 Y212 A215 E216 E222 N225 P226 F230 R232Y185-L228 HydrophobicContact CD2-CB 3.68Å; Y185-L228 HydrophobicContact CD2-CD1 3.95Å; Y185-L228 HydrophobicContact CD2-CG 3.83Å; Y185-L228 HydrophobicContact CE2-CB 3.81Å; Y185-L228 HydrophobicContact CE2-CG 4.37Å; Y185-L228 HydrophobicContact CG-CD1 4.41Å; Y212-L228 HydrophobicContact CD1-CD1 4.27Å; Y212-L228 HydrophobicContact CD1-CD2 4.41Å; Y212-L228 HydrophobicContact CD1-CG 3.8Å; Y212-L228 HydrophobicContact CE1-CG 4.44Å; Y212-L228 HydrophobicContact CG-CG 4.44Å; A215-L228 HydrophobicContact CB-CD1 4.18Å; E216-L228 HydrophobicContact CG-CD1 4.28Å; E216-L228 HydrophobicContact CG-CD2 4.37Å; E222-L228 HydrophobicContact CB-CD1 4.05Å; N225-L228 HydrophobicContact CB-CB 3.89Å; N225-L228 PolarHBondContact O-N 3.3Å; N225-L228 PolarHBondContact OD1-N 3.11Å; N225-L228 VanDerWaalsContact OD1-N 3.16Å; P226-L228 VanDerWaalsContact C-N 3.33Å; P226-L228 PolarHBondContact O-N 2.98Å; L228-F230 PolarHBondContact O-N 3.37Å; L228-R232 WeakPolarHBondContact O-CB 3.23Å; L228-R232 PolarHBondContact O-N 3.33Å
229H97.5Very high94.5Very high12 Ų1229.2 Ų29.26%0.05614%0.138CC..Hα-helixtrans-64.3-41.3-179.2-70.9-67.2000111.8E216 N223 N225 P226 D227 R232 A233 R251 A252E216-H229 IonicContact OE1-CE1 2.63Å; E216-H229 PolarHBondContact OE1-CE1 3.48Å; N223-H229 PolarHBondContact O-NE2 3.39Å; N225-H229 PolarHBondContact O-CD2 3.39Å; N225-H229 PolarHBondContact O-N 3.03Å; P226-H229 PolarHBondContact O-N 2.94Å; D227-H229 PolarHBondContact O-N 2.95Å; H229-R232 PolarHBondContact CE1-NH2 2.9Å; H229-R232 PolarHBondContact ND1-NH2 3.48Å; H229-A233 WeakPolarHBondContact O-CB 3.35Å; H229-A233 PolarHBondContact O-N 3.28Å; H229-R251 HydrophobicContact CB-CB 4.31Å; H229-R251 HydrophobicContact CB-CG 4.26Å; H229-A252 HydrophobicContact CB-CB 4.16Å
230F96.8Very high94.6Very high16 Ų1627.8 Ų27.87%0.0713%0.13CC..Hα-helixtrans-67.2-47179.1-177.3-93.3000113.1P226 D227 L228 A233 T234 Y249 A252 W259 E261 P262 R265P226-F230 PolarHBondContact O-N 3.06Å; D227-F230 PolarHBondContact O-N 2.92Å; L228-F230 PolarHBondContact O-N 3.37Å; F230-A233 WeakPolarHBondContact O-CB 3.34Å; F230-A233 PolarHBondContact O-N 3.22Å; F230-T234 PolarHBondContact O-N 2.86Å; F230-T234 PolarHBondContact O-OG1 3.38Å; F230-Y249 AromaticContact CD2-CD1 3.67Å; F230-Y249 HydrophobicContact CD2-CD1 3.67Å; F230-Y249 AromaticContact CD2-CE1 3.79Å; F230-Y249 HydrophobicContact CD2-CE1 3.79Å; F230-Y249 AromaticContact CE2-CD1 3.9Å; F230-Y249 HydrophobicContact CE2-CD1 3.9Å; F230-Y249 AromaticContact CE2-CE1 3.77Å; F230-Y249 HydrophobicContact CE2-CE1 3.77Å; F230-Y249 HydrophobicContact CG-CE1 4.44Å; F230-Y249 HydrophobicContact CZ-CE1 4.39Å; F230-A252 HydrophobicContact CB-CB 3.93Å; F230-W259 HydrophobicContact CB-CH2 3.37Å; F230-W259 HydrophobicContact CB-CZ2 4.37Å; F230-W259 HydrophobicContact CB-CZ3 3.71Å; F230-W259 AromaticContact CD1-CH2 3.51Å; F230-W259 HydrophobicContact CD1-CH2 3.51Å; F230-W259 AromaticContact CD1-CZ2 3.8Å; F230-W259 HydrophobicContact CD1-CZ2 3.8Å; F230-W259 AromaticContact CD2-CH2 3.73Å; F230-W259 HydrophobicContact CD2-CH2 3.73Å; F230-W259 AromaticContact CD2-CZ2 3.95Å; F230-W259 HydrophobicContact CD2-CZ2 3.95Å; F230-W259 HydrophobicContact CD2-CZ3 4.31Å; F230-W259 HydrophobicContact CE1-CH2 4.2Å; F230-W259 HydrophobicContact CE1-CZ2 4Å; F230-W259 HydrophobicContact CE2-CH2 4.38Å; F230-W259 HydrophobicContact CE2-CZ2 4.14Å; F230-W259 AromaticContact CG-CH2 3.24Å; F230-W259 HydrophobicContact CG-CH2 3.24Å; F230-W259 AromaticContact CG-CZ2 3.77Å; F230-W259 HydrophobicContact CG-CZ2 3.77Å; F230-W259 AromaticContact CG-CZ3 3.99Å; F230-W259 HydrophobicContact CG-CZ3 3.99Å; F230-W259 HydrophobicContact CZ-CZ2 4.18Å; F230-E261 HydrophobicContact CE2-CB 4.45Å; F230-E261 HydrophobicContact CE2-CG 4Å; F230-E261 HydrophobicContact CZ-CG 3.78Å; F230-P262 HydrophobicContact CD2-CB 3.98Å; F230-P262 HydrophobicContact CD2-CG 3.71Å; F230-P262 HydrophobicContact CE2-CB 4.37Å; F230-P262 HydrophobicContact CE2-CG 4.12Å; F230-R265 HydrophobicContact CE2-CB 4.48Å; F230-R265 HydrophobicContact CE2-CG 3.78Å; F230-R265 HydrophobicContact CZ-CG 4.08Å
231N94.9Very high94.8Very high16 Ų1621.3 Ų21.39%0.08611%0.11CC..Hα-helixtrans-65.1-42.9179.7-72-31.5000110.8Y185 N189 I192 D227 T234 L235Y185-N231 PolarHBondContact OH-ND2 2.8Å; N189-N231 PolarHBondContact OD1-ND2 2.96Å; I192-N231 HydrophobicContact CD1-CB 4.27Å; I192-N231 WeakPolarHBondContact CD1-O 3.23Å; D227-N231 WeakPolarHBondContact O-CB 3.47Å; D227-N231 PolarHBondContact O-N 3.22Å; D227-N231 PolarHBondContact O-ND2 2.95Å; D227-N231 VanDerWaalsContact O-ND2 3.13Å; N231-T234 PolarHBondContact O-N 3.42Å; N231-L235 PolarHBondContact O-N 3.13Å
232R96.7Very high95.1Very high34 Ų3420.5 Ų20.513%0.12810%0.104CC..Hα-helixtrans-63.7-41.7174-178.9172.961.3-174.6-7.3112.3L209 Y212 E216 L228 H229 T234 L235 F236L209-R232 HydrophobicContact CD2-CG 3.98Å; Y212-R232 HydrophobicContact CD2-CB 4Å; Y212-R232 HydrophobicContact CD2-CG 4.21Å; Y212-R232 HydrophobicContact CE2-CB 4.26Å; Y212-R232 HydrophobicContact CG-CB 4.43Å; E216-R232 VanDerWaalsContact CD-NH1 3.31Å; E216-R232 IonicContact OE1-CZ 3.59Å; E216-R232 IonicContact OE1-NH1 3.18Å; E216-R232 PolarHBondContact OE1-NH1 3.08Å; E216-R232 IonicContact OE1-NH2 2.76Å; E216-R232 PolarHBondContact OE1-NH2 2.99Å; E216-R232 IonicContact OE2-CZ 2.86Å; E216-R232 IonicContact OE2-NH1 3.42Å; E216-R232 PolarHBondContact OE2-NH1 2.95Å; E216-R232 IonicContact OE2-NH2 3.41Å; L228-R232 WeakPolarHBondContact O-CB 3.23Å; L228-R232 PolarHBondContact O-N 3.33Å; H229-R232 PolarHBondContact CE1-NH2 2.9Å; H229-R232 PolarHBondContact ND1-NH2 3.48Å; R232-T234 VanDerWaalsContact C-N 3.28Å; R232-T234 PolarHBondContact O-N 2.79Å; R232-L235 PolarHBondContact O-N 3.22Å; R232-F236 HydrophobicContact CG-CD2 3.88Å; R232-F236 HydrophobicContact CG-CE1 4.48Å; R232-F236 HydrophobicContact CG-CE2 3.44Å; R232-F236 VanDerWaalsContact CG-CE2 3.44Å; R232-F236 HydrophobicContact CG-CZ 3.79Å; R232-F236 WeakPolarHBondContact O-CD2 3.48Å; R232-F236 WeakPolarHBondContact O-CG 3.31Å; R232-F236 PolarHBondContact O-N 2.99Å
233A96.6Very high95.3Very high0 Ų021.6 Ų21.60%012%0.117CC..Hα-helixtrans-59.5-39.9176.300000112.3H229 F230 L235 F236 Q237 A245 Y249H229-A233 WeakPolarHBondContact O-CB 3.35Å; H229-A233 PolarHBondContact O-N 3.28Å; F230-A233 WeakPolarHBondContact O-CB 3.34Å; F230-A233 PolarHBondContact O-N 3.22Å; A233-L235 VanDerWaalsContact C-N 3.34Å; A233-L235 PolarHBondContact O-N 3.33Å; A233-F236 WeakPolarHBondContact O-CB 3.26Å; A233-F236 PolarHBondContact O-N 2.88Å; A233-Q237 PolarHBondContact O-N 3.34Å; A233-A245 WeakPolarHBondContact CB-O 3.29Å; A233-A245 WeakPolarHBondContact O-CB 3.11Å; A233-Y249 HydrophobicContact CB-CD1 3.61Å; A233-Y249 HydrophobicContact CB-CD2 4.24Å; A233-Y249 HydrophobicContact CB-CE1 3.54Å; A233-Y249 HydrophobicContact CB-CE2 4.19Å; A233-Y249 HydrophobicContact CB-CG 3.95Å
234T93.4Very high95.5Very high13 Ų1321.5 Ų21.58%0.0812%0.121CC..Hα-helixtrans-62.4-41.1176.6-59.70000111.9F230 N231 R232 Q237 Y238 Y249 M353 V435F230-T234 PolarHBondContact O-N 2.86Å; F230-T234 PolarHBondContact O-OG1 3.38Å; N231-T234 PolarHBondContact O-N 3.42Å; R232-T234 VanDerWaalsContact C-N 3.28Å; R232-T234 PolarHBondContact O-N 2.79Å; T234-Q237 PolarHBondContact O-N 3.2Å; T234-Y238 PolarHBondContact O-N 3.18Å; T234-Y249 VanDerWaalsContact CA-OH 3.3Å; T234-Y249 WeakPolarHBondContact CA-OH 3.33Å; T234-Y249 PolarHBondContact OG1-OH 3.27Å; T234-M353 HydrophobicContact CG2-CE 3.85Å; T234-V435 HydrophobicContact CG2-CG1 4.19Å; T234-V435 HydrophobicContact CG2-CG2 4.25Å
235L93.3Very high95.7Very high0 Ų020.3 Ų20.30%011%0.113CC..Hα-helixtrans-67.6-41.5173.4-17659.8000112.1I192 F195 A208 L209 N231 R232 A233 Q237 Y238 E239I192-L235 HydrophobicContact CD1-CB 4.09Å; I192-L235 HydrophobicContact CD1-CD2 4.44Å; I192-L235 HydrophobicContact CG1-CD2 4.19Å; F195-L235 HydrophobicContact CD1-CD1 3.96Å; F195-L235 HydrophobicContact CE1-CD1 3.84Å; F195-L235 HydrophobicContact CZ-CD1 4.35Å; A208-L235 HydrophobicContact CB-CD2 3.74Å; L209-L235 HydrophobicContact CD2-CD2 3.83Å; L209-L235 HydrophobicContact CD2-CG 4.39Å; L209-L235 HydrophobicContact CG-CD2 3.78Å; N231-L235 PolarHBondContact O-N 3.13Å; R232-L235 PolarHBondContact O-N 3.22Å; A233-L235 VanDerWaalsContact C-N 3.34Å; A233-L235 PolarHBondContact O-N 3.33Å; L235-Q237 VanDerWaalsContact C-N 3.31Å; L235-Q237 PolarHBondContact O-N 2.62Å; L235-Y238 PolarHBondContact O-N 2.63Å; L235-E239 HydrophobicContact CD1-CG 4.37Å; L235-E239 WeakPolarHBondContact O-CG 3.49Å; L235-E239 PolarHBondContact O-N 2.72Å
236F95.7Very high95.8Very high32 Ų3219 Ų1914%0.1411%0.106CC..Hα-helixtrans-58.4-42.4174.6-73.7-34.8000112.2L209 R232 A233 E239 E240 M241 A245L209-F236 HydrophobicContact CD1-CD1 4.39Å; L209-F236 HydrophobicContact CD1-CE1 4.01Å; L209-F236 HydrophobicContact CD2-CD1 3.81Å; L209-F236 HydrophobicContact CD2-CE1 3.38Å; L209-F236 HydrophobicContact CD2-CZ 3.92Å; L209-F236 HydrophobicContact CG-CE1 4.31Å; R232-F236 HydrophobicContact CG-CD2 3.88Å; R232-F236 HydrophobicContact CG-CE1 4.48Å; R232-F236 HydrophobicContact CG-CE2 3.44Å; R232-F236 VanDerWaalsContact CG-CE2 3.44Å; R232-F236 HydrophobicContact CG-CZ 3.79Å; R232-F236 WeakPolarHBondContact O-CD2 3.48Å; R232-F236 WeakPolarHBondContact O-CG 3.31Å; R232-F236 PolarHBondContact O-N 2.99Å; A233-F236 WeakPolarHBondContact O-CB 3.26Å; A233-F236 PolarHBondContact O-N 2.88Å; F236-E239 CarbonylContact O-C 3.55Å; F236-E239 PolarHBondContact O-N 2.62Å; F236-E240 PolarHBondContact O-N 3.32Å; F236-E240 VanDerWaalsContact O-N 3.14Å; F236-M241 HydrophobicContact CB-CB 4.07Å; F236-M241 HydrophobicContact CD1-CB 4.18Å; F236-M241 HydrophobicContact CD1-CE 3.38Å; F236-M241 HydrophobicContact CD1-SD 3.87Å; F236-M241 HydrophobicContact CE1-CE 3.83Å; F236-M241 HydrophobicContact CE1-SD 4.06Å; F236-M241 HydrophobicContact CG-CB 4.4Å; F236-M241 WeakPolarHBondContact O-CA 3.37Å; F236-M241 PolarHBondContact O-N 2.92Å; F236-A245 HydrophobicContact CB-CB 3.96Å
237Q94.4Very high95.9Very high30 Ų3019.5 Ų19.514%0.1412%0.115CC..Hα-helixtrans-63-43.5177.6-172.6178.6-29.500111.3A233 T234 L235 E239 E240 F242 A245 Y249 L269 M353A233-Q237 PolarHBondContact O-N 3.34Å; T234-Q237 PolarHBondContact O-N 3.2Å; L235-Q237 VanDerWaalsContact C-N 3.31Å; L235-Q237 PolarHBondContact O-N 2.62Å; Q237-E239 VanDerWaalsContact C-N 3.33Å; Q237-E239 PolarHBondContact O-N 3.4Å; Q237-E240 PolarHBondContact O-N 3.01Å; Q237-E240 VanDerWaalsContact O-N 3.1Å; Q237-F242 HydrophobicContact CG-CD1 4.48Å; Q237-F242 HydrophobicContact CG-CE1 4.42Å; Q237-A245 HydrophobicContact CB-CB 3.87Å; Q237-Y249 PolarHBondContact OE1-OH 3.2Å; Q237-Y249 VanDerWaalsContact OE1-OH 3.1Å; Q237-L269 HydrophobicContact CG-CD1 4.32Å; Q237-L269 HydrophobicContact CG-CD2 4.29Å; Q237-M353 HydrophobicContact CB-CE 4.05Å; Q237-M353 HydrophobicContact CB-SD 3.87Å; Q237-M353 VanDerWaalsContact CD-SD 3.56Å; Q237-M353 HydrophobicContact CG-CE 4.04Å; Q237-M353 HydrophobicContact CG-SD 3.52Å; Q237-M353 VanDerWaalsContact CG-SD 3.52Å
238Y92.3Very high96.1Very high2 Ų218.7 Ų18.71%0.00811%0.112CC..Hα-helixtrans-62.1-40.2177.3-174.6-86.7000112.6F195 F196 Q200 T234 L235 E240 Y372 R411 A433F195-Y238 AromaticContact CE1-CD1 3.51Å; F195-Y238 HydrophobicContact CE1-CD1 3.51Å; F195-Y238 AromaticContact CE1-CE1 3.62Å; F195-Y238 HydrophobicContact CE1-CE1 3.62Å; F195-Y238 HydrophobicContact CE1-CG 4.15Å; F195-Y238 AromaticContact CZ-CD1 3.5Å; F195-Y238 HydrophobicContact CZ-CD1 3.5Å; F195-Y238 VanDerWaalsContact CZ-CD1 3.5Å; F195-Y238 AromaticContact CZ-CE1 3.37Å; F195-Y238 HydrophobicContact CZ-CE1 3.37Å; F196-Y238 AromaticContact CE1-CD2 3.6Å; F196-Y238 HydrophobicContact CE1-CD2 3.6Å; F196-Y238 AromaticContact CE1-CE2 3.86Å; F196-Y238 HydrophobicContact CE1-CE2 3.86Å; F196-Y238 AromaticContact CE1-CG 3.99Å; F196-Y238 HydrophobicContact CE1-CG 3.99Å; F196-Y238 HydrophobicContact CZ-CD2 4.09Å; F196-Y238 HydrophobicContact CZ-CG 4.09Å; Q200-Y238 HydrophobicContact CB-CE1 4.33Å; Q200-Y238 HydrophobicContact CG-CE1 4.22Å; Q200-Y238 WeakPolarHBondContact CG-OH 3.2Å; T234-Y238 PolarHBondContact O-N 3.18Å; L235-Y238 PolarHBondContact O-N 2.63Å; Y238-E240 PolarHBondContact O-N 3.09Å; Y238-Y372 AromaticContact CD2-CD1 3.97Å; Y238-Y372 HydrophobicContact CD2-CD1 3.97Å; Y238-Y372 AromaticContact CD2-CE1 3.86Å; Y238-Y372 HydrophobicContact CD2-CE1 3.86Å; Y238-Y372 HydrophobicContact CE1-CD1 4.38Å; Y238-Y372 AromaticContact CE2-CD1 3.4Å; Y238-Y372 HydrophobicContact CE2-CD1 3.4Å; Y238-Y372 AromaticContact CE2-CE1 3.78Å; Y238-Y372 HydrophobicContact CE2-CE1 3.78Å; Y238-Y372 HydrophobicContact CE2-CG 4.46Å; Y238-Y372 HydrophobicContact CG-CE1 4.3Å; Y238-Y372 AromaticContact CZ-CD1 3.63Å; Y238-Y372 PolarHBondContact O-OH 2.96Å; Y238-R411 PolarHBondContact O-NH1 3.38Å; Y238-A433 HydrophobicContact CE2-CB 3.95Å
239E92.6Very high96.1Very high31 Ų3118.8 Ų18.815%0.14511%0.113CC..THydrogen-bonded Turntrans-78.33.6177-69.4-72.4178.900113.3S205 L235 F236 Q237 M241 K394S205-E239 WeakPolarHBondContact CB-OE1 3.32Å; S205-E239 PolarHBondContact OG-OE1 3.44Å; L235-E239 HydrophobicContact CD1-CG 4.37Å; L235-E239 WeakPolarHBondContact O-CG 3.49Å; L235-E239 PolarHBondContact O-N 2.72Å; F236-E239 CarbonylContact O-C 3.55Å; F236-E239 PolarHBondContact O-N 2.62Å; Q237-E239 VanDerWaalsContact C-N 3.33Å; Q237-E239 PolarHBondContact O-N 3.4Å; E239-M241 VanDerWaalsContact C-N 3.25Å; E239-M241 HydrophobicContact CB-CE 3.62Å; E239-M241 HydrophobicContact CG-CE 4.27Å; E239-M241 PolarHBondContact O-N 3.26Å; E239-K394 PolarHBondContact O-NZ 2.94Å
240E95.1Very high96.2Very high7 Ų720.1 Ų20.13%0.03312%0.123CC..THydrogen-bonded Turntrans63.726.2-179.7-50.6156.3-157.100113.5F236 Q237 Y238 F242 M370 Y372 K394 R411F236-E240 PolarHBondContact O-N 3.32Å; F236-E240 VanDerWaalsContact O-N 3.14Å; Q237-E240 PolarHBondContact O-N 3.01Å; Q237-E240 VanDerWaalsContact O-N 3.1Å; Y238-E240 PolarHBondContact O-N 3.09Å; E240-F242 HydrophobicContact CB-CE2 3.83Å; E240-F242 HydrophobicContact CB-CZ 3.85Å; E240-F242 HydrophobicContact CG-CE2 4.43Å; E240-F242 HydrophobicContact CG-CZ 4.06Å; E240-F242 PolarHBondContact O-N 3.44Å; E240-M370 HydrophobicContact CG-SD 3.98Å; E240-Y372 WeakPolarHBondContact CG-OH 3.46Å; E240-Y372 VanDerWaalsContact OE1-CE2 3.27Å; E240-Y372 WeakPolarHBondContact OE1-CE2 3.47Å; E240-Y372 PolarHBondContact OE1-OH 3.48Å; E240-K394 HydrophobicContact CB-CD 4.46Å; E240-K394 VanDerWaalsContact CD-NZ 3.3Å; E240-K394 IonicContact OE1-NZ 2.66Å; E240-K394 WeakPolarHBondContact OE2-CD 3.48Å; E240-K394 VanDerWaalsContact OE2-CE 3.26Å; E240-K394 WeakPolarHBondContact OE2-CE 3.34Å; E240-K394 IonicContact OE2-NZ 3.56Å; E240-K394 PolarHBondContact OE2-NZ 3.12Å; E240-R411 WeakPolarHBondContact OE1-CB 3.44Å; E240-R411 WeakPolarHBondContact OE1-CD 3.38Å; E240-R411 WeakPolarHBondContact OE1-CG 3.46Å; E240-R411 IonicContact OE1-CZ 3.13Å; E240-R411 IonicContact OE1-NE 3.32Å; E240-R411 IonicContact OE1-NH1 3.25Å; E240-R411 PolarHBondContact OE1-NH1 2.85Å
241M96.3Very high96.2Very high66 Ų6623.2 Ų23.233%0.32514%0.135SC..  trans-86.862.9168.8-69.3-175.5-86.800110L209 F236 E239 G243 S244 A245L209-M241 HydrophobicContact CD1-CE 3.91Å; F236-M241 HydrophobicContact CB-CB 4.07Å; F236-M241 HydrophobicContact CD1-CB 4.18Å; F236-M241 HydrophobicContact CD1-CE 3.38Å; F236-M241 HydrophobicContact CD1-SD 3.87Å; F236-M241 HydrophobicContact CE1-CE 3.83Å; F236-M241 HydrophobicContact CE1-SD 4.06Å; F236-M241 HydrophobicContact CG-CB 4.4Å; F236-M241 WeakPolarHBondContact O-CA 3.37Å; F236-M241 PolarHBondContact O-N 2.92Å; E239-M241 VanDerWaalsContact C-N 3.25Å; E239-M241 HydrophobicContact CB-CE 3.62Å; E239-M241 HydrophobicContact CG-CE 4.27Å; E239-M241 PolarHBondContact O-N 3.26Å; M241-G243 VanDerWaalsContact C-N 3.34Å; M241-G243 PolarHBondContact O-N 3.08Å; M241-S244 PolarHBondContact O-N 3.39Å; M241-S244 VanDerWaalsContact O-N 3.15Å; M241-A245 PolarHBondContact O-N 2.81Å
242F97.1Very high96.4Very high8 Ų822.5 Ų22.54%0.03513%0.131CC..Hα-helixtrans-60.7-36.2-168.1-61-60.3000114.6Q237 E240 A245 L246 L269 L273 M370 H396 V398 F407Q237-F242 HydrophobicContact CG-CD1 4.48Å; Q237-F242 HydrophobicContact CG-CE1 4.42Å; E240-F242 HydrophobicContact CB-CE2 3.83Å; E240-F242 HydrophobicContact CB-CZ 3.85Å; E240-F242 HydrophobicContact CG-CE2 4.43Å; E240-F242 HydrophobicContact CG-CZ 4.06Å; E240-F242 PolarHBondContact O-N 3.44Å; F242-A245 PolarHBondContact O-N 2.65Å; F242-L246 WeakPolarHBondContact O-CG 3.23Å; F242-L246 PolarHBondContact O-N 3.41Å; F242-L269 HydrophobicContact CD1-CD1 3.82Å; F242-L269 HydrophobicContact CD1-CD2 4.48Å; F242-L269 HydrophobicContact CE1-CD1 4.27Å; F242-L273 HydrophobicContact CB-CD1 4.15Å; F242-L273 HydrophobicContact CB-CD2 4.47Å; F242-L273 HydrophobicContact CD1-CD2 4.44Å; F242-L273 HydrophobicContact CD2-CD2 4.1Å; F242-L273 HydrophobicContact CE2-CD2 4.46Å; F242-L273 HydrophobicContact CG-CD2 4.08Å; F242-M370 HydrophobicContact CE2-CE 3.92Å; F242-M370 HydrophobicContact CE2-SD 4.36Å; F242-M370 HydrophobicContact CZ-CE 3.82Å; F242-M370 HydrophobicContact CZ-SD 3.93Å; F242-H396 AromaticContact CD2-ND1 3.79Å; F242-H396 AromaticContact CE2-CE1 3.82Å; F242-H396 AromaticContact CE2-ND1 3.88Å; F242-V398 HydrophobicContact CB-CG1 4.43Å; F242-V398 HydrophobicContact CB-CG2 3.97Å; F242-F407 HydrophobicContact CD2-CZ 4.15Å; F242-F407 AromaticContact CE2-CZ 3.92Å; F242-F407 HydrophobicContact CE2-CZ 3.92Å
243G97.8Very high96.4Very high30 Ų3021.8 Ų21.831%0.30913%0.132SC..Hα-helixtrans-63.4-44.8175.900000112.4M241 A245 L246 G247M241-G243 VanDerWaalsContact C-N 3.34Å; M241-G243 PolarHBondContact O-N 3.08Å; G243-A245 VanDerWaalsContact C-N 3.33Å; G243-A245 PolarHBondContact O-N 3.21Å; G243-L246 PolarHBondContact O-N 2.73Å; G243-G247 PolarHBondContact O-N 2.87Å
244S98Very high96.5Very high56 Ų5623.6 Ų23.639%0.39215%0.147SC..Hα-helixtrans-65.8-36.2175.9-50.30000112.1M241 G248M241-S244 PolarHBondContact O-N 3.39Å; M241-S244 VanDerWaalsContact O-N 3.15Å; S244-G248 PolarHBondContact O-N 3.42Å
245A97.6Very high96.7Very high0 Ų023.3 Ų23.30%015%0.145CC..Hα-helixtrans-63.4-50.1175.100000111.9A233 F236 Q237 M241 F242 G243 G247 G248 Y249 L269A233-A245 WeakPolarHBondContact CB-O 3.29Å; A233-A245 WeakPolarHBondContact O-CB 3.11Å; F236-A245 HydrophobicContact CB-CB 3.96Å; Q237-A245 HydrophobicContact CB-CB 3.87Å; M241-A245 PolarHBondContact O-N 2.81Å; F242-A245 PolarHBondContact O-N 2.65Å; G243-A245 VanDerWaalsContact C-N 3.33Å; G243-A245 PolarHBondContact O-N 3.21Å; A245-G247 VanDerWaalsContact C-N 3.33Å; A245-G247 PolarHBondContact O-N 3.29Å; A245-G248 PolarHBondContact O-N 3.05Å; A245-Y249 HydrophobicContact CB-CE2 4.35Å; A245-Y249 VanDerWaalsContact O-CD2 3.23Å; A245-Y249 WeakPolarHBondContact O-CD2 3.37Å; A245-Y249 PolarHBondContact O-N 3.31Å; A245-L269 HydrophobicContact CB-CD2 3.89Å
246L98.4Very high96.8Very high0 Ų025.4 Ų25.40%016%0.156CC..Hα-helixtrans-58.9-43.5176.5-72.6169000112.1F242 G243 Y249 S250 E266 L269 M270 L273 V398 H400F242-L246 WeakPolarHBondContact O-CG 3.23Å; F242-L246 PolarHBondContact O-N 3.41Å; G243-L246 PolarHBondContact O-N 2.73Å; L246-Y249 PolarHBondContact O-N 2.82Å; L246-S250 WeakPolarHBondContact O-CB 3.11Å; L246-S250 PolarHBondContact O-N 3.47Å; L246-E266 HydrophobicContact CD2-CG 3.96Å; L246-L269 HydrophobicContact CD2-CB 3.94Å; L246-L269 HydrophobicContact CD2-CD2 3.78Å; L246-L269 HydrophobicContact CD2-CG 3.83Å; L246-L269 HydrophobicContact CG-CD2 3.76Å; L246-L269 HydrophobicContact CG-CG 4.15Å; L246-M270 HydrophobicContact CD1-SD 3.72Å; L246-M270 HydrophobicContact CD2-CG 3.69Å; L246-M270 HydrophobicContact CD2-SD 3.89Å; L246-M270 HydrophobicContact CG-SD 4.46Å; L246-L273 HydrophobicContact CD1-CD1 3.99Å; L246-V398 HydrophobicContact CD1-CG1 4.06Å; L246-H400 HydrophobicContact CB-CB 4.23Å; L246-H400 HydrophobicContact CD1-CB 3.65Å
247G98.3Very high96.8Very high33 Ų3327.4 Ų27.434%0.3417%0.173SC..Hα-helixtrans-61.3-42.9175.400000112.9G243 A245 S250 R251G243-G247 PolarHBondContact O-N 2.87Å; A245-G247 VanDerWaalsContact C-N 3.33Å; A245-G247 PolarHBondContact O-N 3.29Å; G247-S250 PolarHBondContact O-N 3.49Å; G247-R251 WeakPolarHBondContact O-CB 3.3Å; G247-R251 PolarHBondContact O-N 2.96Å
248G98.2Very high96.7Very high7 Ų730 Ų307%0.07220%0.199CC..Hα-helixtrans-68.2-41.8178.200000113.3S244 A245 R251 A252S244-G248 PolarHBondContact O-N 3.42Å; A245-G248 PolarHBondContact O-N 3.05Å; G248-R251 PolarHBondContact O-N 3.39Å; G248-A252 WeakPolarHBondContact O-CB 3.47Å; G248-A252 PolarHBondContact O-N 2.84Å
249Y98.1Very high96.8Very high1 Ų130.8 Ų30.80%0.00420%0.202CC..Hα-helixtrans-62.9-43.6173.8-66.8-45000112.2F230 A233 T234 Q237 A245 L246 R251 A252 A253 R265 L269F230-Y249 AromaticContact CD2-CD1 3.67Å; F230-Y249 HydrophobicContact CD2-CD1 3.67Å; F230-Y249 AromaticContact CD2-CE1 3.79Å; F230-Y249 HydrophobicContact CD2-CE1 3.79Å; F230-Y249 AromaticContact CE2-CD1 3.9Å; F230-Y249 HydrophobicContact CE2-CD1 3.9Å; F230-Y249 AromaticContact CE2-CE1 3.77Å; F230-Y249 HydrophobicContact CE2-CE1 3.77Å; F230-Y249 HydrophobicContact CG-CE1 4.44Å; F230-Y249 HydrophobicContact CZ-CE1 4.39Å; A233-Y249 HydrophobicContact CB-CD1 3.61Å; A233-Y249 HydrophobicContact CB-CD2 4.24Å; A233-Y249 HydrophobicContact CB-CE1 3.54Å; A233-Y249 HydrophobicContact CB-CE2 4.19Å; A233-Y249 HydrophobicContact CB-CG 3.95Å; T234-Y249 VanDerWaalsContact CA-OH 3.3Å; T234-Y249 WeakPolarHBondContact CA-OH 3.33Å; T234-Y249 PolarHBondContact OG1-OH 3.27Å; Q237-Y249 PolarHBondContact OE1-OH 3.2Å; Q237-Y249 VanDerWaalsContact OE1-OH 3.1Å; A245-Y249 HydrophobicContact CB-CE2 4.35Å; A245-Y249 VanDerWaalsContact O-CD2 3.23Å; A245-Y249 WeakPolarHBondContact O-CD2 3.37Å; A245-Y249 PolarHBondContact O-N 3.31Å; L246-Y249 PolarHBondContact O-N 2.82Å; Y249-R251 VanDerWaalsContact C-N 3.32Å; Y249-R251 PolarHBondContact O-N 2.93Å; Y249-A252 PolarHBondContact O-N 3.3Å; Y249-A253 WeakPolarHBondContact O-CB 2.95Å; Y249-A253 PolarHBondContact O-N 2.81Å; Y249-R265 HydrophobicContact CD1-CB 3.87Å; Y249-R265 HydrophobicContact CD1-CG 4.49Å; Y249-R265 HydrophobicContact CD2-CB 3.98Å; Y249-R265 HydrophobicContact CE1-CB 3.85Å; Y249-R265 HydrophobicContact CE1-CG 4.16Å; Y249-R265 HydrophobicContact CE2-CB 3.94Å; Y249-R265 HydrophobicContact CG-CB 3.96Å; Y249-L269 HydrophobicContact CE2-CD2 4.35Å
250S98.3Very high96.9Very high40 Ų4037.3 Ų37.328%0.2823%0.232SC..Hα-helixtrans-62.1-40.1176-178.50000111.9L246 G247 A253 A254L246-S250 WeakPolarHBondContact O-CB 3.11Å; L246-S250 PolarHBondContact O-N 3.47Å; G247-S250 PolarHBondContact O-N 3.49Å; S250-A253 PolarHBondContact O-N 3.1Å; S250-A254 WeakPolarHBondContact O-CB 3.35Å; S250-A254 PolarHBondContact O-N 3.14Å
251R98Very high96.8Very high82 Ų8238.4 Ų38.431%0.30924%0.238SC..Hα-helixtrans-67-42.7177-178.757.6177.9173.33.4112.3N223 H229 G247 G248 Y249 A254 L255N223-R251 PolarHBondContact O-NH2 3.42Å; H229-R251 HydrophobicContact CB-CB 4.31Å; H229-R251 HydrophobicContact CB-CG 4.26Å; G247-R251 WeakPolarHBondContact O-CB 3.3Å; G247-R251 PolarHBondContact O-N 2.96Å; G248-R251 PolarHBondContact O-N 3.39Å; Y249-R251 VanDerWaalsContact C-N 3.32Å; Y249-R251 PolarHBondContact O-N 2.93Å; R251-A254 PolarHBondContact O-N 3.31Å; R251-L255 HydrophobicContact CG-CD1 4.04Å; R251-L255 WeakPolarHBondContact O-CG 3.18Å; R251-L255 PolarHBondContact O-N 3.34Å; R251-L255 VanDerWaalsContact O-N 3.09Å
252A98Very high96.9Very high0 Ų035.3 Ų35.30%022%0.222CC..Hα-helixtrans-61.2-45.3175.400000111.5P226 H229 F230 G248 Y249 A254 L255 D256 W259 P262P226-A252 WeakPolarHBondContact O-CB 3.05Å; H229-A252 HydrophobicContact CB-CB 4.16Å; F230-A252 HydrophobicContact CB-CB 3.93Å; G248-A252 WeakPolarHBondContact O-CB 3.47Å; G248-A252 PolarHBondContact O-N 2.84Å; Y249-A252 PolarHBondContact O-N 3.3Å; A252-A254 VanDerWaalsContact C-N 3.29Å; A252-A254 PolarHBondContact O-N 3.44Å; A252-L255 PolarHBondContact O-N 3.02Å; A252-D256 PolarHBondContact O-N 2.83Å; A252-W259 HydrophobicContact CB-CZ3 4.33Å; A252-P262 HydrophobicContact CB-CB 3.92Å; A252-P262 HydrophobicContact CB-CG 3.98Å
253A97.8Very high96.9Very high19 Ų1937.6 Ų37.616%0.15724%0.238CC..Hα-helixtrans-60.6-36176.100000113Y249 S250 D256 P257 P262 P263Y249-A253 WeakPolarHBondContact O-CB 2.95Å; Y249-A253 PolarHBondContact O-N 2.81Å; S250-A253 PolarHBondContact O-N 3.1Å; A253-D256 CarbonylContact O-C 3.36Å; A253-P257 WeakPolarHBondContact O-CA 3.45Å; A253-P262 HydrophobicContact CB-CB 4.01Å; A253-P263 HydrophobicContact CB-CB 4.35Å; A253-P263 HydrophobicContact CB-CG 4.5Å
254A97.7Very high96.7Very high39 Ų3939.3 Ų39.332%0.32224%0.238SC..Hα-helixtrans-72-33.4177.800000112.6V40 A43 S250 R251 A252V40-A254 HydrophobicContact CG1-CB 3.85Å; V40-A254 WeakPolarHBondContact CG1-O 3.3Å; A43-A254 WeakPolarHBondContact CB-O 3.46Å; S250-A254 WeakPolarHBondContact O-CB 3.35Å; S250-A254 PolarHBondContact O-N 3.14Å; R251-A254 PolarHBondContact O-N 3.31Å; A252-A254 VanDerWaalsContact C-N 3.29Å; A252-A254 PolarHBondContact O-N 3.44Å
255L96.7Very high96.6Very high6 Ų639.5 Ų39.53%0.03123%0.23CC..Hα-helixtrans-80.1-28.6179.8-73.1169.3000113.1F35 P226 R251 A252F35-L255 HydrophobicContact CD2-CD2 4.22Å; F35-L255 HydrophobicContact CE1-CD2 4.46Å; F35-L255 HydrophobicContact CE2-CD2 3.98Å; F35-L255 HydrophobicContact CZ-CD2 4.12Å; F35-L255 WeakPolarHBondContact CZ-O 3.34Å; P226-L255 HydrophobicContact CB-CB 3.94Å; R251-L255 HydrophobicContact CG-CD1 4.04Å; R251-L255 WeakPolarHBondContact O-CG 3.18Å; R251-L255 PolarHBondContact O-N 3.34Å; R251-L255 VanDerWaalsContact O-N 3.09Å; A252-L255 PolarHBondContact O-N 3.02Å
256D95.6Very high96.5Very high44 Ų4440 Ų4024%0.23523%0.233CC..  trans-135.888171.8-172.1-4.9000111.3P226 A252 A253 A258 W259P226-D256 HydrophobicContact CB-CB 4.11Å; P226-D256 HydrophobicContact CG-CB 4.23Å; A252-D256 PolarHBondContact O-N 2.83Å; A253-D256 CarbonylContact O-C 3.36Å; D256-A258 PolarHBondContact O-N 3.25Å; D256-A258 PolarHBondContact OD1-N 3.31Å; D256-A258 VanDerWaalsContact OD1-N 3.12Å; D256-W259 HydrophobicContact CB-CB 4.09Å; D256-W259 WeakPolarHBondContact O-CB 3.38Å; D256-W259 PolarHBondContact O-N 3.17Å; D256-W259 VanDerWaalsContact O-N 3.13Å; D256-W259 PolarHBondContact OD1-N 3.03Å
257P95.8Very high96.4Very high75 Ų7545.2 Ų45.249%0.48725%0.252SS..THydrogen-bonded Turntrans-66.5-16.7179.5-23.935.1000114.8A43 A253 W259A43-P257 HydrophobicContact CB-CG 3.85Å; A253-P257 WeakPolarHBondContact O-CA 3.45Å; P257-W259 VanDerWaalsContact C-N 3.31Å
258A93.1Very high96.2Very high84 Ų8445.8 Ų45.869%0.69425%0.246SC*.THydrogen-bonded Turntrans-81.5-16.4176.500000111.8D256 E260D256-A258 PolarHBondContact O-N 3.25Å; D256-A258 PolarHBondContact OD1-N 3.31Å; D256-A258 VanDerWaalsContact OD1-N 3.12Å; A258-E260 PolarHBondContact O-N 3.05Å
259W93.8Very high96.1Very high18 Ų1845.7 Ų45.77%0.06824%0.244CC..  trans-81.3108.9177.6-172.217.8000111.5P226 F230 A252 D256 P257 E261 P262 P263 Q440P226-W259 HydrophobicContact CB-CE3 4.31Å; P226-W259 HydrophobicContact CB-CZ3 4.2Å; F230-W259 HydrophobicContact CB-CH2 3.37Å; F230-W259 HydrophobicContact CB-CZ2 4.37Å; F230-W259 HydrophobicContact CB-CZ3 3.71Å; F230-W259 AromaticContact CD1-CH2 3.51Å; F230-W259 HydrophobicContact CD1-CH2 3.51Å; F230-W259 AromaticContact CD1-CZ2 3.8Å; F230-W259 HydrophobicContact CD1-CZ2 3.8Å; F230-W259 AromaticContact CD2-CH2 3.73Å; F230-W259 HydrophobicContact CD2-CH2 3.73Å; F230-W259 AromaticContact CD2-CZ2 3.95Å; F230-W259 HydrophobicContact CD2-CZ2 3.95Å; F230-W259 HydrophobicContact CD2-CZ3 4.31Å; F230-W259 HydrophobicContact CE1-CH2 4.2Å; F230-W259 HydrophobicContact CE1-CZ2 4Å; F230-W259 HydrophobicContact CE2-CH2 4.38Å; F230-W259 HydrophobicContact CE2-CZ2 4.14Å; F230-W259 AromaticContact CG-CH2 3.24Å; F230-W259 HydrophobicContact CG-CH2 3.24Å; F230-W259 AromaticContact CG-CZ2 3.77Å; F230-W259 HydrophobicContact CG-CZ2 3.77Å; F230-W259 AromaticContact CG-CZ3 3.99Å; F230-W259 HydrophobicContact CG-CZ3 3.99Å; F230-W259 HydrophobicContact CZ-CZ2 4.18Å; A252-W259 HydrophobicContact CB-CZ3 4.33Å; D256-W259 HydrophobicContact CB-CB 4.09Å; D256-W259 WeakPolarHBondContact O-CB 3.38Å; D256-W259 PolarHBondContact O-N 3.17Å; D256-W259 VanDerWaalsContact O-N 3.13Å; D256-W259 PolarHBondContact OD1-N 3.03Å; P257-W259 VanDerWaalsContact C-N 3.31Å; W259-E261 PolarHBondContact O-N 3.35Å; W259-P262 HydrophobicContact CB-CG 4.44Å; W259-P262 HydrophobicContact CD2-CG 3.32Å; W259-P262 VanDerWaalsContact CE2-CD 3.44Å; W259-P262 HydrophobicContact CE3-CG 3.28Å; W259-P262 HydrophobicContact CG-CG 3.86Å; W259-P262 HydrophobicContact CH2-CG 4.12Å; W259-P262 HydrophobicContact CZ2-CG 4.11Å; W259-P262 HydrophobicContact CZ3-CG 3.71Å; W259-P262 WeakPolarHBondContact O-CD 3.39Å; W259-P263 VanDerWaalsContact O-CD 3.31Å; W259-P263 WeakPolarHBondContact O-CD 3.27Å; W259-Q440 VanDerWaalsContact CD1-NE2 3.31Å; W259-Q440 VanDerWaalsContact CE2-NE2 3.33Å; W259-Q440 VanDerWaalsContact CE2-OE1 3.3Å
260E95.1Very high96Very high168 Ų16846.5 Ų46.579%0.78525%0.248SC*.SBendtrans-74.4-21.3-175.4-61.2-177.3163.400114.3A258 P263 E264A258-E260 PolarHBondContact O-N 3.05Å; E260-P263 WeakPolarHBondContact O-CD 3.21Å; E260-P263 WeakPolarHBondContact O-CG 3.49Å; E260-E264 WeakPolarHBondContact O-CB 3.31Å; E260-E264 PolarHBondContact O-N 2.93Å
261E94.3Very high95.8Very high31 Ų3147.7 Ų47.715%0.14525%0.249CC..Hα-helixtrans-71.8-46.4-172.6-168.2166.7170.700113.8F230 W259 E264 R265 K438F230-E261 HydrophobicContact CE2-CB 4.45Å; F230-E261 HydrophobicContact CE2-CG 4Å; F230-E261 HydrophobicContact CZ-CG 3.78Å; W259-E261 PolarHBondContact O-N 3.35Å; E261-E264 WeakPolarHBondContact O-CB 3.42Å; E261-E264 PolarHBondContact O-N 2.63Å; E261-R265 HydrophobicContact CG-CG 4.08Å; E261-R265 WeakPolarHBondContact O-CG 3.45Å; E261-R265 PolarHBondContact O-N 3.28Å; E261-R265 IonicContact OE1-CZ 3.59Å; E261-R265 IonicContact OE1-NE 2.75Å; E261-R265 PolarHBondContact OE1-NE 3.29Å; E261-R265 IonicContact OE1-NH2 2.76Å; E261-R265 PolarHBondContact OE1-NH2 3.06Å; E261-K438 IonicContact OE2-NZ 3.74Å; E261-K438 PolarHBondContact OE2-NZ 3.12Å
262P96.5Very high95.7Very high0 Ų045.4 Ų45.40%024%0.241CC..Hα-helixtrans-55.2-50.5177.8-22.329.8000115F230 A252 A253 W259 E264 R265 E266F230-P262 HydrophobicContact CD2-CB 3.98Å; F230-P262 HydrophobicContact CD2-CG 3.71Å; F230-P262 HydrophobicContact CE2-CB 4.37Å; F230-P262 HydrophobicContact CE2-CG 4.12Å; A252-P262 HydrophobicContact CB-CB 3.92Å; A252-P262 HydrophobicContact CB-CG 3.98Å; A253-P262 HydrophobicContact CB-CB 4.01Å; W259-P262 HydrophobicContact CB-CG 4.44Å; W259-P262 HydrophobicContact CD2-CG 3.32Å; W259-P262 VanDerWaalsContact CE2-CD 3.44Å; W259-P262 HydrophobicContact CE3-CG 3.28Å; W259-P262 HydrophobicContact CG-CG 3.86Å; W259-P262 HydrophobicContact CH2-CG 4.12Å; W259-P262 HydrophobicContact CZ2-CG 4.11Å; W259-P262 HydrophobicContact CZ3-CG 3.71Å; W259-P262 WeakPolarHBondContact O-CD 3.39Å; P262-E264 VanDerWaalsContact C-N 3.26Å; P262-E264 PolarHBondContact O-N 3.3Å; P262-R265 PolarHBondContact O-N 2.92Å; P262-E266 PolarHBondContact O-N 3.25Å
263P97Very high95.6Very high57 Ų5745.4 Ų45.437%0.3724%0.241SC..Hα-helixtrans-65.1-32.5178.625.3-33.1000112A253 W259 E260 E266 R267A253-P263 HydrophobicContact CB-CB 4.35Å; A253-P263 HydrophobicContact CB-CG 4.5Å; W259-P263 VanDerWaalsContact O-CD 3.31Å; W259-P263 WeakPolarHBondContact O-CD 3.27Å; E260-P263 WeakPolarHBondContact O-CD 3.21Å; E260-P263 WeakPolarHBondContact O-CG 3.49Å; P263-E266 PolarHBondContact O-N 3.07Å; P263-R267 WeakPolarHBondContact O-CB 3.36Å; P263-R267 PolarHBondContact O-N 2.9Å
264E95Very high95.5Very high65 Ų6549.5 Ų49.530%0.30426%0.257SS..Hα-helixtrans-67.1-44174.9177.358.2-167.100111.9E260 E261 P262 E266 R267 Q268E260-E264 WeakPolarHBondContact O-CB 3.31Å; E260-E264 PolarHBondContact O-N 2.93Å; E261-E264 WeakPolarHBondContact O-CB 3.42Å; E261-E264 PolarHBondContact O-N 2.63Å; P262-E264 VanDerWaalsContact C-N 3.26Å; P262-E264 PolarHBondContact O-N 3.3Å; E264-E266 PolarHBondContact O-N 2.98Å; E264-R267 PolarHBondContact O-N 3.34Å; E264-R267 IonicContact OE1-CZ 3.61Å; E264-R267 IonicContact OE1-NE 3.3Å; E264-R267 IonicContact OE1-NH2 2.74Å; E264-R267 PolarHBondContact OE1-NH2 3.04Å; E264-R267 IonicContact OE2-CZ 3.8Å; E264-R267 VanDerWaalsContact OE2-CZ 3.27Å; E264-R267 IonicContact OE2-NE 3.39Å; E264-R267 PolarHBondContact OE2-NE 3Å; E264-R267 IonicContact OE2-NH2 2.75Å; E264-R267 PolarHBondContact OE2-NH2 3.43Å; E264-Q268 WeakPolarHBondContact O-CB 3.32Å; E264-Q268 VanDerWaalsContact O-CG 3.23Å; E264-Q268 WeakPolarHBondContact O-CG 3.33Å; E264-Q268 PolarHBondContact O-N 3.07Å; E264-Q268 PolarHBondContact OE1-NE2 2.98Å
265R94.7Very high95.4Very high61 Ų6152.7 Ų52.723%0.2326%0.263CS..Hα-helixtrans-61.7-42.9174.2-67.2-58.9-175.8169.43112F230 Y249 E261 P262 Q268 L269F230-R265 HydrophobicContact CE2-CB 4.48Å; F230-R265 HydrophobicContact CE2-CG 3.78Å; F230-R265 HydrophobicContact CZ-CG 4.08Å; Y249-R265 HydrophobicContact CD1-CB 3.87Å; Y249-R265 HydrophobicContact CD1-CG 4.49Å; Y249-R265 HydrophobicContact CD2-CB 3.98Å; Y249-R265 HydrophobicContact CE1-CB 3.85Å; Y249-R265 HydrophobicContact CE1-CG 4.16Å; Y249-R265 HydrophobicContact CE2-CB 3.94Å; Y249-R265 HydrophobicContact CG-CB 3.96Å; E261-R265 HydrophobicContact CG-CG 4.08Å; E261-R265 WeakPolarHBondContact O-CG 3.45Å; E261-R265 PolarHBondContact O-N 3.28Å; E261-R265 IonicContact OE1-CZ 3.59Å; E261-R265 IonicContact OE1-NE 2.75Å; E261-R265 PolarHBondContact OE1-NE 3.29Å; E261-R265 IonicContact OE1-NH2 2.76Å; E261-R265 PolarHBondContact OE1-NH2 3.06Å; P262-R265 PolarHBondContact O-N 2.92Å; R265-Q268 PolarHBondContact O-N 2.91Å; R265-L269 WeakPolarHBondContact O-CB 3.42Å; R265-L269 PolarHBondContact O-N 3.41Å
266E96.8Very high95.3Very high11 Ų1152.4 Ų52.45%0.05126%0.261CS..Hα-helixtrans-59.1-49.2176-166.3-166.1157.900111L246 P262 P263 E264 L269 M270 H400 K401L246-E266 HydrophobicContact CD2-CG 3.96Å; P262-E266 PolarHBondContact O-N 3.25Å; P263-E266 PolarHBondContact O-N 3.07Å; E264-E266 PolarHBondContact O-N 2.98Å; E266-L269 PolarHBondContact O-N 3.32Å; E266-M270 VanDerWaalsContact O-CG 3.31Å; E266-M270 WeakPolarHBondContact O-CG 3.44Å; E266-M270 PolarHBondContact O-N 3.18Å; E266-H400 IonicContact OE1-CD2 3.17Å; E266-H400 IonicContact OE1-CE1 2.73Å; E266-H400 IonicContact OE1-NE2 3.6Å; E266-H400 PolarHBondContact OE1-NE2 3.17Å; E266-K401 WeakPolarHBondContact OE1-CE 3Å; E266-K401 IonicContact OE1-NZ 2.86Å; E266-K401 PolarHBondContact OE1-NZ 2.97Å; E266-K401 IonicContact OE2-NZ 2.8Å
267R95.8Very high95.4Very high108 Ų10851.1 Ų51.141%0.40826%0.256SS..Hα-helixtrans-60.5-48.8178.2-175.7-171.367.780.4-4.7112P263 E264 L269 M270 E271P263-R267 WeakPolarHBondContact O-CB 3.36Å; P263-R267 PolarHBondContact O-N 2.9Å; E264-R267 PolarHBondContact O-N 3.34Å; E264-R267 IonicContact OE1-CZ 3.61Å; E264-R267 IonicContact OE1-NE 3.3Å; E264-R267 IonicContact OE1-NH2 2.74Å; E264-R267 PolarHBondContact OE1-NH2 3.04Å; E264-R267 IonicContact OE2-CZ 3.8Å; E264-R267 VanDerWaalsContact OE2-CZ 3.27Å; E264-R267 IonicContact OE2-NE 3.39Å; E264-R267 PolarHBondContact OE2-NE 3Å; E264-R267 IonicContact OE2-NH2 2.75Å; E264-R267 PolarHBondContact OE2-NH2 3.43Å; R267-L269 VanDerWaalsContact C-N 3.3Å; R267-L269 PolarHBondContact O-N 3.49Å; R267-M270 PolarHBondContact O-N 3.31Å; R267-E271 IonicContact CZ-OE1 2.78Å; R267-E271 VanDerWaalsContact NH1-CD 3.33Å; R267-E271 IonicContact NH1-OE1 3.1Å; R267-E271 PolarHBondContact NH1-OE1 3.36Å; R267-E271 IonicContact NH1-OE2 2.87Å; R267-E271 WeakPolarHBondContact O-CG 3.14Å; R267-E271 PolarHBondContact O-N 3.46Å
268Q94.3Very high95.4Very high46 Ų4649.6 Ų49.622%0.21525%0.249CC..Hα-helixtrans-58.9-42.2178.7-74.3175.11.800111.8E264 R265 Y272E264-Q268 WeakPolarHBondContact O-CB 3.32Å; E264-Q268 VanDerWaalsContact O-CG 3.23Å; E264-Q268 WeakPolarHBondContact O-CG 3.33Å; E264-Q268 PolarHBondContact O-N 3.07Å; E264-Q268 PolarHBondContact OE1-NE2 2.98Å; R265-Q268 PolarHBondContact O-N 2.91Å; Q268-Y272 VanDerWaalsContact O-CB 3.25Å; Q268-Y272 WeakPolarHBondContact O-CB 3.36Å; Q268-Y272 PolarHBondContact O-N 3.48Å
269L95.1Very high95.6Very high4 Ų447.2 Ų47.22%0.02123%0.225CC..Hα-helixtrans-68.3-41.7178.7-178.655.2000111.7Q237 F242 A245 L246 Y249 R265 E266 R267 Y272 L273Q237-L269 HydrophobicContact CG-CD1 4.32Å; Q237-L269 HydrophobicContact CG-CD2 4.29Å; F242-L269 HydrophobicContact CD1-CD1 3.82Å; F242-L269 HydrophobicContact CD1-CD2 4.48Å; F242-L269 HydrophobicContact CE1-CD1 4.27Å; A245-L269 HydrophobicContact CB-CD2 3.89Å; L246-L269 HydrophobicContact CD2-CB 3.94Å; L246-L269 HydrophobicContact CD2-CD2 3.78Å; L246-L269 HydrophobicContact CD2-CG 3.83Å; L246-L269 HydrophobicContact CG-CD2 3.76Å; L246-L269 HydrophobicContact CG-CG 4.15Å; Y249-L269 HydrophobicContact CE2-CD2 4.35Å; R265-L269 WeakPolarHBondContact O-CB 3.42Å; R265-L269 PolarHBondContact O-N 3.41Å; E266-L269 PolarHBondContact O-N 3.32Å; R267-L269 VanDerWaalsContact C-N 3.3Å; R267-L269 PolarHBondContact O-N 3.49Å; L269-Y272 HydrophobicContact CD1-CD1 4.08Å; L269-Y272 PolarHBondContact O-N 2.76Å; L269-L273 HydrophobicContact CD1-CD1 4.34Å; L269-L273 HydrophobicContact CD1-CG 4.2Å; L269-L273 HydrophobicContact CG-CD1 4.3Å; L269-L273 VanDerWaalsContact O-CG 3.3Å; L269-L273 WeakPolarHBondContact O-CG 3.38Å; L269-L273 PolarHBondContact O-N 2.82Å
270M96.2Very high95.7Very high19 Ų1947.4 Ų47.49%0.09423%0.228CC..Hα-helixtrans-59.2-50.1174.2-73.1-70.3-71.700111.8L246 E266 R267 Y272 L273 E274 H400 Q403 F405L246-M270 HydrophobicContact CD1-SD 3.72Å; L246-M270 HydrophobicContact CD2-CG 3.69Å; L246-M270 HydrophobicContact CD2-SD 3.89Å; L246-M270 HydrophobicContact CG-SD 4.46Å; E266-M270 VanDerWaalsContact O-CG 3.31Å; E266-M270 WeakPolarHBondContact O-CG 3.44Å; E266-M270 PolarHBondContact O-N 3.18Å; R267-M270 PolarHBondContact O-N 3.31Å; M270-Y272 VanDerWaalsContact C-N 3.29Å; M270-Y272 PolarHBondContact O-N 2.89Å; M270-L273 PolarHBondContact O-N 2.88Å; M270-E274 WeakPolarHBondContact O-CB 3.26Å; M270-E274 PolarHBondContact O-N 3.49Å; M270-H400 HydrophobicContact SD-CB 4.26Å; M270-Q403 HydrophobicContact CE-CB 3.89Å; M270-Q403 VanDerWaalsContact CE-CD 3.45Å; M270-Q403 HydrophobicContact CE-CG 3.93Å; M270-F405 HydrophobicContact CE-CE2 4.11Å; M270-F405 HydrophobicContact CE-CZ 4.01Å; M270-F405 HydrophobicContact SD-CE2 3.85Å; M270-F405 HydrophobicContact SD-CZ 4.11Å
271E95.1Very high95.8Very high65 Ų6547 Ų4730%0.30423%0.226SC..Hα-helixtrans-62.3-37.2177.7-74.5-175.4-162.400112.6R267 K275R267-E271 IonicContact CZ-OE1 2.78Å; R267-E271 VanDerWaalsContact NH1-CD 3.33Å; R267-E271 IonicContact NH1-OE1 3.1Å; R267-E271 PolarHBondContact NH1-OE1 3.36Å; R267-E271 IonicContact NH1-OE2 2.87Å; R267-E271 WeakPolarHBondContact O-CG 3.14Å; R267-E271 PolarHBondContact O-N 3.46Å; E271-K275 WeakPolarHBondContact O-CB 3.43Å; E271-K275 WeakPolarHBondContact O-CD 3.4Å; E271-K275 WeakPolarHBondContact O-CG 3.32Å; E271-K275 PolarHBondContact O-N 3.41Å; E271-K275 IonicContact OE2-NZ 3.33Å; E271-K275 PolarHBondContact OE2-NZ 3.04Å
272Y95.1Very high95.8Very high34 Ų3448.3 Ų48.313%0.13323%0.234CC..Hα-helixtrans-62.4-48.2175.2167-99.3000111Q268 L269 M270 K275 L276 T356Q268-Y272 VanDerWaalsContact O-CB 3.25Å; Q268-Y272 WeakPolarHBondContact O-CB 3.36Å; Q268-Y272 PolarHBondContact O-N 3.48Å; L269-Y272 HydrophobicContact CD1-CD1 4.08Å; L269-Y272 PolarHBondContact O-N 2.76Å; M270-Y272 VanDerWaalsContact C-N 3.29Å; M270-Y272 PolarHBondContact O-N 2.89Å; Y272-K275 PolarHBondContact O-N 3.37Å; Y272-L276 HydrophobicContact CE1-CD2 4.13Å; Y272-L276 WeakPolarHBondContact O-CB 3.38Å; Y272-L276 PolarHBondContact O-N 3.34Å; Y272-T356 WeakPolarHBondContact OH-CG2 3.38Å; Y272-T356 PolarHBondContact OH-OG1 3.23Å
273L95.9Very high95.8Very high0 Ų050.8 Ų50.80%024%0.244CC..Hα-helixtrans-64.5-41.4179-67.6173.6000111.8F242 L246 L269 M270 L276 T277 V398 F405 F407F242-L273 HydrophobicContact CB-CD1 4.15Å; F242-L273 HydrophobicContact CB-CD2 4.47Å; F242-L273 HydrophobicContact CD1-CD2 4.44Å; F242-L273 HydrophobicContact CD2-CD2 4.1Å; F242-L273 HydrophobicContact CE2-CD2 4.46Å; F242-L273 HydrophobicContact CG-CD2 4.08Å; L246-L273 HydrophobicContact CD1-CD1 3.99Å; L269-L273 HydrophobicContact CD1-CD1 4.34Å; L269-L273 HydrophobicContact CD1-CG 4.2Å; L269-L273 HydrophobicContact CG-CD1 4.3Å; L269-L273 VanDerWaalsContact O-CG 3.3Å; L269-L273 WeakPolarHBondContact O-CG 3.38Å; L269-L273 PolarHBondContact O-N 2.82Å; M270-L273 PolarHBondContact O-N 2.88Å; L273-L276 PolarHBondContact O-N 2.89Å; L273-T277 WeakPolarHBondContact O-CG2 3.36Å; L273-T277 PolarHBondContact O-N 3.04Å; L273-T277 PolarHBondContact O-OG1 3.3Å; L273-T277 VanDerWaalsContact O-OG1 3.06Å; L273-V398 HydrophobicContact CD1-CG1 4.43Å; L273-F405 HydrophobicContact CB-CD1 3.77Å; L273-F405 HydrophobicContact CB-CD2 4.04Å; L273-F405 HydrophobicContact CB-CE1 3.85Å; L273-F405 HydrophobicContact CB-CE2 4.11Å; L273-F405 HydrophobicContact CB-CG 3.87Å; L273-F405 HydrophobicContact CB-CZ 4Å; L273-F405 HydrophobicContact CD1-CD2 3.94Å; L273-F405 HydrophobicContact CD1-CE2 4.11Å; L273-F405 HydrophobicContact CD1-CG 4.44Å; L273-F407 HydrophobicContact CD2-CE1 3.99Å; L273-F407 HydrophobicContact CD2-CZ 4.06Å
274E96.1Very high95.8Very high105 Ų10548.9 Ų48.949%0.49124%0.235SC..Hα-helixtrans-62.1-48.9176.2-173.6-174.2-177.300112M270 L276 T277 A278 F405M270-E274 WeakPolarHBondContact O-CB 3.26Å; M270-E274 PolarHBondContact O-N 3.49Å; E274-L276 VanDerWaalsContact C-N 3.28Å; E274-L276 PolarHBondContact O-N 2.93Å; E274-T277 PolarHBondContact O-OG1 2.91Å; E274-T277 VanDerWaalsContact O-OG1 3.11Å; E274-A278 VanDerWaalsContact O-CB 3.27Å; E274-A278 WeakPolarHBondContact O-CB 3.49Å; E274-A278 PolarHBondContact O-N 2.83Å; E274-F405 HydrophobicContact CB-CE1 3.99Å
275K95.6Very high95.8Very high105 Ų10553.7 Ų53.746%0.45726%0.255SS..Hα-helixtrans-61.4-40.9176.3-72.7165.6-172.4156.30110.8E271 Y272 L279 L347E271-K275 WeakPolarHBondContact O-CB 3.43Å; E271-K275 WeakPolarHBondContact O-CD 3.4Å; E271-K275 WeakPolarHBondContact O-CG 3.32Å; E271-K275 PolarHBondContact O-N 3.41Å; E271-K275 IonicContact OE2-NZ 3.33Å; E271-K275 PolarHBondContact OE2-NZ 3.04Å; Y272-K275 PolarHBondContact O-N 3.37Å; K275-L279 VanDerWaalsContact O-CB 3.31Å; K275-L279 WeakPolarHBondContact O-CB 3.17Å; K275-L279 WeakPolarHBondContact O-CG 3.21Å; K275-L279 PolarHBondContact O-N 3.19Å; K275-L347 HydrophobicContact CB-CD1 4.47Å; K275-L347 HydrophobicContact CB-CD2 4.45Å
276L95.5Very high95.9Very high0 Ų051.8 Ų51.80%025%0.25CS..Hα-helixtrans-64.6-49.6-178.9-177.568.4000112.2Y272 L273 E274 L279 T280 F345 L347 T356 V368 M370 F407Y272-L276 HydrophobicContact CE1-CD2 4.13Å; Y272-L276 WeakPolarHBondContact O-CB 3.38Å; Y272-L276 PolarHBondContact O-N 3.34Å; L273-L276 PolarHBondContact O-N 2.89Å; E274-L276 VanDerWaalsContact C-N 3.28Å; E274-L276 PolarHBondContact O-N 2.93Å; L276-L279 PolarHBondContact O-N 2.87Å; L276-T280 WeakPolarHBondContact O-CB 3.35Å; L276-T280 PolarHBondContact O-N 2.96Å; L276-T280 PolarHBondContact O-OG1 3.2Å; L276-F345 HydrophobicContact CD1-CE2 4.06Å; L276-F345 HydrophobicContact CD1-CZ 4.28Å; L276-L347 HydrophobicContact CB-CD1 4.05Å; L276-L347 HydrophobicContact CD1-CD1 3.83Å; L276-T356 HydrophobicContact CD1-CG2 3.62Å; L276-V368 HydrophobicContact CD1-CB 4.34Å; L276-V368 HydrophobicContact CD1-CG1 3.68Å; L276-V368 HydrophobicContact CD1-CG2 3.67Å; L276-V368 HydrophobicContact CD2-CG1 4.1Å; L276-V368 HydrophobicContact CD2-CG2 4.26Å; L276-V368 HydrophobicContact CG-CG1 4.32Å; L276-V368 HydrophobicContact CG-CG2 3.91Å; L276-M370 HydrophobicContact CD2-CE 3.87Å; L276-F407 HydrophobicContact CD2-CD2 4.19Å; L276-F407 HydrophobicContact CD2-CE1 4.33Å; L276-F407 HydrophobicContact CD2-CE2 3.73Å; L276-F407 HydrophobicContact CD2-CZ 3.81Å
277T96.3Very high95.9Very high18 Ų1859.4 Ų59.411%0.1128%0.283CS..Hα-helixtrans-65.1-46.5179.151.80000110.9L273 E274 L279 T280 E281 F405 F407L273-T277 WeakPolarHBondContact O-CG2 3.36Å; L273-T277 PolarHBondContact O-N 3.04Å; L273-T277 PolarHBondContact O-OG1 3.3Å; L273-T277 VanDerWaalsContact O-OG1 3.06Å; E274-T277 PolarHBondContact O-OG1 2.91Å; E274-T277 VanDerWaalsContact O-OG1 3.11Å; T277-L279 VanDerWaalsContact C-N 3.34Å; T277-L279 PolarHBondContact O-N 3.29Å; T277-T280 WeakPolarHBondContact O-CB 3.42Å; T277-T280 PolarHBondContact O-N 3.18Å; T277-E281 WeakPolarHBondContact O-CG 3.36Å; T277-E281 PolarHBondContact O-N 2.94Å; T277-F405 HydrophobicContact CG2-CB 3.87Å; T277-F405 HydrophobicContact CG2-CD1 4.02Å; T277-F405 HydrophobicContact CG2-CG 4.44Å; T277-F407 HydrophobicContact CG2-CD1 3.87Å
278A97Very high95.9Very high42 Ų4257.4 Ų57.435%0.34729%0.29SS..Hα-helixtrans-59.1-43178.400000112.5E274 T280 N282E274-A278 VanDerWaalsContact O-CB 3.27Å; E274-A278 WeakPolarHBondContact O-CB 3.49Å; E274-A278 PolarHBondContact O-N 2.83Å; A278-T280 VanDerWaalsContact C-N 3.34Å; A278-N282 PolarHBondContact O-N 2.93Å; A278-N282 PolarHBondContact O-ND2 2.85Å; A278-N282 PolarHBondContact O-OD1 2.75Å
279L97.1Very high96Very high35 Ų3564.7 Ų64.718%0.18332%0.315CS..Hα-helixtrans-69.2-32.2176.5-73.2171.4000112.7K275 L276 T277 N282 K283 G284 F345 L347K275-L279 VanDerWaalsContact O-CB 3.31Å; K275-L279 WeakPolarHBondContact O-CB 3.17Å; K275-L279 WeakPolarHBondContact O-CG 3.21Å; K275-L279 PolarHBondContact O-N 3.19Å; L276-L279 PolarHBondContact O-N 2.87Å; T277-L279 VanDerWaalsContact C-N 3.34Å; T277-L279 PolarHBondContact O-N 3.29Å; L279-N282 WeakPolarHBondContact CA-OD1 3.19Å; L279-N282 PolarHBondContact O-OD1 3.42Å; L279-K283 CarbonylContact O-C 3.52Å; L279-K283 WeakPolarHBondContact O-CA 3.09Å; L279-K283 PolarHBondContact O-N 3.3Å; L279-K283 VanDerWaalsContact O-N 3.07Å; L279-G284 PolarHBondContact O-N 3.21Å; L279-F345 HydrophobicContact CB-CD1 3.73Å; L279-F345 HydrophobicContact CB-CD2 3.99Å; L279-F345 HydrophobicContact CB-CE1 3.75Å; L279-F345 HydrophobicContact CB-CE2 4.02Å; L279-F345 HydrophobicContact CB-CG 3.85Å; L279-F345 HydrophobicContact CB-CZ 3.9Å; L279-F345 HydrophobicContact CD1-CB 4.33Å; L279-F345 HydrophobicContact CD1-CD2 3.84Å; L279-F345 HydrophobicContact CD1-CE2 4.33Å; L279-F345 HydrophobicContact CD1-CG 4.11Å; L279-F345 HydrophobicContact CD2-CB 4.42Å; L279-F345 HydrophobicContact CG-CG 4.41Å; L279-F345 WeakPolarHBondContact O-CE1 3.41Å; L279-L347 HydrophobicContact CD1-CD1 3.96Å; L279-L347 HydrophobicContact CD1-CD2 3.77Å; L279-L347 HydrophobicContact CD1-CG 3.88Å
280T96.2Very high96Very high22 Ų2271.2 Ų71.214%0.13534%0.34CS..Hα-helixtrans-67.6-46.2175.9-57.10000110.8L276 T277 A278 N282 K283 C366 V368L276-T280 WeakPolarHBondContact O-CB 3.35Å; L276-T280 PolarHBondContact O-N 2.96Å; L276-T280 PolarHBondContact O-OG1 3.2Å; T277-T280 WeakPolarHBondContact O-CB 3.42Å; T277-T280 PolarHBondContact O-N 3.18Å; A278-T280 VanDerWaalsContact C-N 3.34Å; T280-N282 PolarHBondContact O-N 3.48Å; T280-K283 PolarHBondContact O-N 3.1Å; T280-C366 HydrophobicContact CG2-CB 4.26Å; T280-V368 HydrophobicContact CG2-CG2 4.38Å; T280-V368 VanDerWaalsContact OG1-CG2 3.26Å; T280-V368 WeakPolarHBondContact OG1-CG2 3.49Å
281E95.8Very high96Very high158 Ų15870.6 Ų70.674%0.73834%0.336SS*.Hα-helixtrans-62.6-41.1179-71.7175.7174.600112.8T277T277-E281 WeakPolarHBondContact O-CG 3.36Å; T277-E281 PolarHBondContact O-N 2.94Å
282N95.6Very high96Very high59 Ų5975 Ų7532%0.31635%0.351SS..THydrogen-bonded Turntrans-9611.1-178.37033.7000114.2A278 L279 T280 G284 K285A278-N282 PolarHBondContact O-N 2.93Å; A278-N282 PolarHBondContact O-ND2 2.85Å; A278-N282 PolarHBondContact O-OD1 2.75Å; L279-N282 WeakPolarHBondContact CA-OD1 3.19Å; L279-N282 PolarHBondContact O-OD1 3.42Å; T280-N282 PolarHBondContact O-N 3.48Å; N282-G284 VanDerWaalsContact C-N 3.29Å; N282-G284 PolarHBondContact O-N 3.34Å; N282-G284 PolarHBondContact OD1-N 2.92Å; N282-G284 VanDerWaalsContact OD1-N 3.16Å; N282-K285 HydrophobicContact CB-CG 4.47Å; N282-K285 WeakPolarHBondContact O-CA 3.47Å; N282-K285 PolarHBondContact O-N 3.41Å; N282-K285 PolarHBondContact OD1-N 3.12Å
283K96.5Very high96Very high52 Ų5277.1 Ų77.123%0.22637%0.367CS..G310 helixtrans50.647.2-179.7-58.9171.7178169.60112L279 T280 K285 V286 L291 V360 E364 C366L279-K283 CarbonylContact O-C 3.52Å; L279-K283 WeakPolarHBondContact O-CA 3.09Å; L279-K283 PolarHBondContact O-N 3.3Å; L279-K283 VanDerWaalsContact O-N 3.07Å; T280-K283 PolarHBondContact O-N 3.1Å; K283-K285 PolarHBondContact O-N 2.76Å; K283-V286 WeakPolarHBondContact O-CB 3.27Å; K283-V286 WeakPolarHBondContact O-CG2 3.21Å; K283-V286 PolarHBondContact O-N 2.87Å; K283-L291 HydrophobicContact CD-CD2 3.76Å; K283-V360 HydrophobicContact CB-CG2 4.36Å; K283-V360 HydrophobicContact CG-CG2 4.23Å; K283-E364 WeakPolarHBondContact CE-O 3.41Å; K283-E364 VanDerWaalsContact NZ-CB 3.26Å; K283-E364 PolarHBondContact NZ-O 3.04Å; K283-E364 IonicContact NZ-OE2 2.8Å; K283-E364 PolarHBondContact NZ-OE2 2.82Å; K283-C366 HydrophobicContact CG-CB 4.35Å
284G95.4Very high96Very high17 Ų1777.9 Ų77.918%0.17537%0.371CS..G310 helixtrans65.922.1-179.900000114.5L279 N282 V286L279-G284 PolarHBondContact O-N 3.21Å; N282-G284 VanDerWaalsContact C-N 3.29Å; N282-G284 PolarHBondContact O-N 3.34Å; N282-G284 PolarHBondContact OD1-N 2.92Å; N282-G284 VanDerWaalsContact OD1-N 3.16Å; G284-V286 PolarHBondContact O-N 3.17Å; G284-V286 VanDerWaalsContact O-N 3.17Å
285K96.4Very high95.9Very high166 Ų16674 Ų7472%0.72235%0.353SS*.G310 helixtrans56.924.5-172.6-53.7178.4-178.3176.60113.1N282 K283 K287N282-K285 HydrophobicContact CB-CG 4.47Å; N282-K285 WeakPolarHBondContact O-CA 3.47Å; N282-K285 PolarHBondContact O-N 3.41Å; N282-K285 PolarHBondContact OD1-N 3.12Å; K283-K285 PolarHBondContact O-N 2.76Å; K285-K287 PolarHBondContact O-N 3.47Å
286V96.6Very high95.7Very high21 Ų2173.2 Ų73.213%0.12736%0.361CS..  trans-71.5122177.4179.10000109.5K283 G284 A288 R290 L291 M294 V344K283-V286 WeakPolarHBondContact O-CB 3.27Å; K283-V286 WeakPolarHBondContact O-CG2 3.21Å; K283-V286 PolarHBondContact O-N 2.87Å; G284-V286 PolarHBondContact O-N 3.17Å; G284-V286 VanDerWaalsContact O-N 3.17Å; V286-A288 PolarHBondContact O-N 3.47Å; V286-R290 HydrophobicContact CG1-CB 4.05Å; V286-R290 HydrophobicContact CG1-CG 4.06Å; V286-L291 HydrophobicContact CG1-CB 4.09Å; V286-M294 HydrophobicContact CG1-SD 4.14Å; V286-V344 HydrophobicContact CG2-CB 4.04Å; V286-V344 HydrophobicContact CG2-CG1 4.25Å
287K96.4Very high95.3Very high171 Ų17178.1 Ų78.174%0.74339%0.387SS*.  trans-56.9137.9177.7-65-176.4179.6-179.30111.1K285 R289 R290 L291K285-K287 PolarHBondContact O-N 3.47Å; K287-R289 PolarHBondContact O-N 2.69Å; K287-R290 WeakPolarHBondContact O-CA 3.44Å; K287-R290 WeakPolarHBondContact O-CB 3.26Å; K287-R290 PolarHBondContact O-N 2.94Å; K287-L291 PolarHBondContact O-N 3.03Å
288A95.7Very high94.9Very high66 Ų6678.7 Ų78.755%0.54539%0.389SS..Hα-helixtrans-52.2-35.9-177.200000114.8V286 R292V286-A288 PolarHBondContact O-N 3.47Å; A288-R292 WeakPolarHBondContact O-CG 3.37Å; A288-R292 PolarHBondContact O-N 2.9Å; A288-R292 PolarHBondContact O-NE 3.36Å
289R96.3Very high94.2Very high200 Ų20079.3 Ų79.376%0.75539%0.391SS*.Hα-helixtrans-65.2-44.1174.8-176.6178.8175.8-179.1-0.7111.9K287 T293K287-R289 PolarHBondContact O-N 2.69Å; R289-T293 PolarHBondContact O-N 2.71Å; R289-T293 PolarHBondContact O-OG1 2.98Å
290R95.9Very high93.3Very high141 Ų14182.5 Ų82.553%0.53241%0.412SS..Hα-helixtrans-67-41178.2-177.3175.5179.9-172.2-3.6110.7V286 K287 T293 M294V286-R290 HydrophobicContact CG1-CB 4.05Å; V286-R290 HydrophobicContact CG1-CG 4.06Å; K287-R290 WeakPolarHBondContact O-CA 3.44Å; K287-R290 WeakPolarHBondContact O-CB 3.26Å; K287-R290 PolarHBondContact O-N 2.94Å; R290-T293 PolarHBondContact O-N 3.41Å; R290-M294 HydrophobicContact CG-CE 3.89Å; R290-M294 HydrophobicContact CG-SD 4.32Å; R290-M294 VanDerWaalsContact NE-CE 3.3Å; R290-M294 WeakPolarHBondContact O-CG 3.25Å; R290-M294 PolarHBondContact O-N 3.32Å
291L96.1Very high92.6Very high5 Ų585.7 Ų85.73%0.02644%0.435CS..Hα-helixtrans-59.5-49176.1-176.962.4000111.3K283 V286 K287 T293 M294 L295 V344 V360K283-L291 HydrophobicContact CD-CD2 3.76Å; V286-L291 HydrophobicContact CG1-CB 4.09Å; K287-L291 PolarHBondContact O-N 3.03Å; L291-T293 VanDerWaalsContact C-N 3.29Å; L291-T293 PolarHBondContact O-N 3.36Å; L291-M294 WeakPolarHBondContact O-CB 3.47Å; L291-M294 PolarHBondContact O-N 3.46Å; L291-L295 HydrophobicContact CD1-CD1 4.17Å; L291-L295 HydrophobicContact CD1-CG 4.21Å; L291-L295 HydrophobicContact CG-CD1 4.01Å; L291-L295 HydrophobicContact CG-CG 4.39Å; L291-L295 WeakPolarHBondContact O-CG 3.26Å; L291-L295 PolarHBondContact O-N 2.7Å; L291-V344 HydrophobicContact CD1-CG1 4.14Å; L291-V360 HydrophobicContact CD1-CB 4.35Å; L291-V360 HydrophobicContact CD1-CG1 4.19Å
292R95.3Very high92Very high159 Ų15978.7 Ų78.760%0.640%0.404SS*.Hα-helixtrans-57-40.8175.6-77.5-176.3-75.6158.9-10.1112.9A288 L295 S296A288-R292 WeakPolarHBondContact O-CG 3.37Å; A288-R292 PolarHBondContact O-N 2.9Å; A288-R292 PolarHBondContact O-NE 3.36Å; R292-L295 PolarHBondContact O-N 3.28Å; R292-S296 WeakPolarHBondContact O-CB 3.45Å; R292-S296 PolarHBondContact O-N 3.3Å; R292-S296 PolarHBondContact O-OG 2.82Å
293T95.3Very high91.5Very high78 Ų7876.3 Ų76.348%0.47939%0.392SS..Hα-helixtrans-66.3-36.2174.7-56.70000112.8R289 R290 L291 S296 N297R289-T293 PolarHBondContact O-N 2.71Å; R289-T293 PolarHBondContact O-OG1 2.98Å; R290-T293 PolarHBondContact O-N 3.41Å; L291-T293 VanDerWaalsContact C-N 3.29Å; L291-T293 PolarHBondContact O-N 3.36Å; T293-S296 PolarHBondContact O-OG 3.07Å; T293-N297 PolarHBondContact O-ND2 2.79Å
294M94.8Very high91.2Very high16 Ų1674.8 Ų74.88%0.07939%0.391CS..Hα-helixtrans-65.3-45.3174.5-71.3168.7166.300111V286 R290 L291 N297 K342 I382V286-M294 HydrophobicContact CG1-SD 4.14Å; R290-M294 HydrophobicContact CG-CE 3.89Å; R290-M294 HydrophobicContact CG-SD 4.32Å; R290-M294 VanDerWaalsContact NE-CE 3.3Å; R290-M294 WeakPolarHBondContact O-CG 3.25Å; R290-M294 PolarHBondContact O-N 3.32Å; L291-M294 WeakPolarHBondContact O-CB 3.47Å; L291-M294 PolarHBondContact O-N 3.46Å; M294-N297 PolarHBondContact O-N 2.95Å; M294-K342 HydrophobicContact CB-CB 4.37Å; M294-K342 HydrophobicContact CB-CG 4.09Å; M294-K342 WeakPolarHBondContact O-CE 3.17Å; M294-I382 HydrophobicContact CE-CG2 3.77Å
295L94.3Very high91Very high22 Ų2275.9 Ų75.912%0.11540%0.395CS..Hα-helixtrans-73.1-31.3-177.3-64.2179.9000113.1L291 R292 N297 L298 K342 V360 D361 E364L291-L295 HydrophobicContact CD1-CD1 4.17Å; L291-L295 HydrophobicContact CD1-CG 4.21Å; L291-L295 HydrophobicContact CG-CD1 4.01Å; L291-L295 HydrophobicContact CG-CG 4.39Å; L291-L295 WeakPolarHBondContact O-CG 3.26Å; L291-L295 PolarHBondContact O-N 2.7Å; R292-L295 PolarHBondContact O-N 3.28Å; L295-N297 PolarHBondContact O-N 2.75Å; L295-N297 VanDerWaalsContact O-N 3.17Å; L295-L298 HydrophobicContact CD2-CD2 4.34Å; L295-L298 WeakPolarHBondContact O-CB 3.45Å; L295-L298 PolarHBondContact O-N 3.16Å; L295-K342 HydrophobicContact CD2-CB 4.44Å; L295-K342 HydrophobicContact CD2-CG 4.26Å; L295-V360 HydrophobicContact CD1-CG1 4.39Å; L295-V360 HydrophobicContact CD2-CG1 4.38Å; L295-D361 VanDerWaalsContact CD2-O 3.25Å; L295-D361 WeakPolarHBondContact CD2-O 3.24Å; L295-E364 HydrophobicContact CD1-CG 3.9Å
296S91.9Very high90.8Very high89 Ų8968 Ų6862%0.62236%0.361SS*.Hα-helixtrans-62.5-22.3173.364.80000113.1R292 T293R292-S296 WeakPolarHBondContact O-CB 3.45Å; R292-S296 PolarHBondContact O-N 3.3Å; R292-S296 PolarHBondContact O-OG 2.82Å; T293-S296 PolarHBondContact O-OG 3.07Å
297N85.9Confident90.6Very high103 Ų10370.3 Ų70.355%0.55138%0.378SS*.THydrogen-bonded Turntrans-93.14.8176.9-62.1-15.1000112.5T293 M294 L295 S299T293-N297 PolarHBondContact O-ND2 2.79Å; M294-N297 PolarHBondContact O-N 2.95Å; L295-N297 PolarHBondContact O-N 2.75Å; L295-N297 VanDerWaalsContact O-N 3.17Å; N297-S299 PolarHBondContact O-N 3.27Å
298L87.9Confident90.4Very high31 Ų3164.2 Ų64.216%0.16236%0.357CS..  trans-8797.6177.4-162.366.8000109.1L295 L340 K342L295-L298 HydrophobicContact CD2-CD2 4.34Å; L295-L298 WeakPolarHBondContact O-CB 3.45Å; L295-L298 PolarHBondContact O-N 3.16Å; L298-L340 HydrophobicContact CD1-CD1 3.65Å; L298-L340 HydrophobicContact CD1-CD2 4.12Å; L298-L340 HydrophobicContact CD1-CG 3.69Å; L298-L340 HydrophobicContact CD2-CG 4.27Å; L298-L340 HydrophobicContact CG-CD1 4.45Å; L298-L340 HydrophobicContact CG-CD2 4.03Å; L298-L340 HydrophobicContact CG-CG 3.98Å; L298-K342 HydrophobicContact CD1-CD 4.23Å; L298-K342 HydrophobicContact CD1-CG 4.11Å
299S83.1Confident90.2Very high55 Ų5565.8 Ų65.839%0.38536%0.361SS..  trans-115.2158-179.653.60000111.9N297 S301 A302N297-S299 PolarHBondContact O-N 3.27Å; S299-S301 PolarHBondContact O-N 2.75Å; S299-S301 VanDerWaalsContact O-N 3.13Å; S299-S301 PolarHBondContact OG-OG 3.03Å; S299-A302 WeakPolarHBondContact O-CB 3.39Å; S299-A302 PolarHBondContact O-N 2.99Å
300T78.9Confident90Very high102 Ų10264.2 Ų64.263%0.62636%0.363SS*.G310 helixtrans-59.8-22.4175.348.40000113.2A302 L303T300-A302 PolarHBondContact O-N 3.14Å; T300-L303 WeakPolarHBondContact O-CB 3.45Å; T300-L303 VanDerWaalsContact O-CG 3.28Å; T300-L303 WeakPolarHBondContact O-CG 3.44Å; T300-L303 PolarHBondContact O-N 3.26Å; T300-L303 VanDerWaalsContact O-N 3.08Å
301S81.5Confident89.8Confident88 Ų8858 Ų5862%0.61534%0.339SS*.G310 helixtrans-60.4-23.5170.2570000113.4S299 L303 G304S299-S301 PolarHBondContact O-N 2.75Å; S299-S301 VanDerWaalsContact O-N 3.13Å; S299-S301 PolarHBondContact OG-OG 3.03Å; S301-L303 PolarHBondContact O-N 2.96Å; S301-G304 PolarHBondContact O-N 3.42Å; S301-G304 VanDerWaalsContact O-N 3.15Å
302A81.8Confident89.6Confident11 Ų1166 Ų669%0.09137%0.37CS..G310 helixtrans-66.9-18.5175.100000113.2S299 T300 G304 L340 V387S299-A302 WeakPolarHBondContact O-CB 3.39Å; S299-A302 PolarHBondContact O-N 2.99Å; T300-A302 PolarHBondContact O-N 3.14Å; A302-G304 PolarHBondContact O-N 3.13Å; A302-G304 VanDerWaalsContact O-N 3.15Å; A302-L340 HydrophobicContact CB-CD1 3.77Å; A302-L340 HydrophobicContact CB-CD2 4.45Å; A302-V387 WeakPolarHBondContact O-CG2 3.44Å
303L86.4Confident89.2Confident9 Ų958.8 Ų58.85%0.04734%0.343CS..G310 helixtrans-56.8-25.8170.9-68.1173.1000112.1T300 S301 C306 P323 A338 V387T300-L303 WeakPolarHBondContact O-CB 3.45Å; T300-L303 VanDerWaalsContact O-CG 3.28Å; T300-L303 WeakPolarHBondContact O-CG 3.44Å; T300-L303 PolarHBondContact O-N 3.26Å; T300-L303 VanDerWaalsContact O-N 3.08Å; S301-L303 PolarHBondContact O-N 2.96Å; L303-C306 HydrophobicContact CB-CB 4.37Å; L303-C306 WeakPolarHBondContact O-CB 3.26Å; L303-C306 PolarHBondContact O-N 3.46Å; L303-P323 HydrophobicContact CD1-CB 4.27Å; L303-P323 HydrophobicContact CD1-CG 4.12Å; L303-P323 HydrophobicContact CD2-CB 4.28Å; L303-A338 HydrophobicContact CD2-CB 4.03Å; L303-V387 HydrophobicContact CD2-CG1 4.12Å; L303-V387 HydrophobicContact CD2-CG2 4.44Å
304G89.6Confident88.4Confident21 Ų2158.6 Ų58.622%0.21634%0.343CS..G310 helixtrans50.7-125.6176.900000110.8S301 A302 C306 S307S301-G304 PolarHBondContact O-N 3.42Å; S301-G304 VanDerWaalsContact O-N 3.15Å; A302-G304 PolarHBondContact O-N 3.13Å; A302-G304 VanDerWaalsContact O-N 3.15Å; G304-C306 PolarHBondContact O-N 3.03Å; G304-C306 VanDerWaalsContact O-N 3.11Å; G304-S307 PolarHBondContact O-N 3.1Å; G304-S307 PolarHBondContact O-OG 2.9Å
305P91.1Very high87.8Confident40 Ų4061 Ų6126%0.2637%0.366SS..G310 helixtrans-54.2-28.8178.5-26.533.6000115.5S307 S308 F311 I419 R424P305-S307 PolarHBondContact O-N 3.03Å; P305-S308 WeakPolarHBondContact O-CB 3.49Å; P305-S308 PolarHBondContact O-N 3.46Å; P305-S308 VanDerWaalsContact O-N 3.14Å; P305-F311 HydrophobicContact CB-CD2 4.05Å; P305-F311 HydrophobicContact CB-CE2 4.34Å; P305-F311 WeakPolarHBondContact O-CB 3.39Å; P305-F311 WeakPolarHBondContact O-CD2 3.49Å; P305-I419 HydrophobicContact CB-CD1 4.39Å; P305-I419 HydrophobicContact CG-CD1 4.37Å; P305-R424 HydrophobicContact CG-CG 4.12Å
306C92.1Very high87.3Confident0 Ų061.9 Ų61.90%038%0.38CS..G310 helixtrans-68-17.7-176.6-70.40000114.2L303 G304 S308 F311 S320 L321 I419L303-C306 HydrophobicContact CB-CB 4.37Å; L303-C306 WeakPolarHBondContact O-CB 3.26Å; L303-C306 PolarHBondContact O-N 3.46Å; G304-C306 PolarHBondContact O-N 3.03Å; G304-C306 VanDerWaalsContact O-N 3.11Å; C306-S308 VanDerWaalsContact C-N 3.28Å; C306-F311 VanDerWaalsContact SG-CE2 3.56Å; C306-F311 WeakPolarHBondContact SG-CZ 3.47Å; C306-S320 WeakPolarHBondContact O-CA 3.42Å; C306-L321 HydrophobicContact CB-CB 4.27Å; C306-L321 HydrophobicContact CB-CD1 4.16Å; C306-L321 HydrophobicContact CB-CG 4.34Å; C306-L321 PolarHBondContact O-N 3.24Å; C306-I419 HydrophobicContact CB-CD1 4.34Å; C306-I419 WeakPolarHBondContact SG-CD1 3.45Å
307S92.1Very high87.2Confident70 Ų7062.2 Ų62.249%0.4937%0.367SS..G310 helixtrans-78.8-13.3175.365.40000113G304 P305 S320G304-S307 PolarHBondContact O-N 3.1Å; G304-S307 PolarHBondContact O-OG 2.9Å; P305-S307 PolarHBondContact O-N 3.03Å; S307-S320 WeakPolarHBondContact O-CB 3.39Å
308S91.9Very high87.5Confident42 Ų4261.4 Ų61.429%0.29437%0.366SS..SBendtrans-74.8135.3-177.1179.80000112P305 C306 Q310 F311 G319 S320P305-S308 WeakPolarHBondContact O-CB 3.49Å; P305-S308 PolarHBondContact O-N 3.46Å; P305-S308 VanDerWaalsContact O-N 3.14Å; C306-S308 VanDerWaalsContact C-N 3.28Å; S308-Q310 PolarHBondContact O-N 3.35Å; S308-Q310 VanDerWaalsContact O-N 3.1Å; S308-Q310 PolarHBondContact OG-N 3.12Å; S308-Q310 VanDerWaalsContact OG-N 3.15Å; S308-F311 WeakPolarHBondContact O-CB 3.34Å; S308-F311 PolarHBondContact O-N 2.65Å; S308-G319 CarbonylContact O-C 3.54Å; S308-S320 WeakPolarHBondContact O-CA 3.49Å; S308-S320 PolarHBondContact O-N 3.08Å
309P91.9Very high87.8Confident99 Ų9960.6 Ų60.664%0.64337%0.365SS*.THydrogen-bonded Turntrans-59.6-18.5169.2-22.733.3000113.9G319P309-G319 WeakPolarHBondContact O-CA 3.37Å
310Q92.6Very high88.3Confident168 Ų16860.7 Ų60.779%0.78537%0.366SS*.THydrogen-bonded Turntrans-96.23.1178-60.3177.44.400112.6S308 R312S308-Q310 PolarHBondContact O-N 3.35Å; S308-Q310 VanDerWaalsContact O-N 3.1Å; S308-Q310 PolarHBondContact OG-N 3.12Å; S308-Q310 VanDerWaalsContact OG-N 3.15Å; Q310-R312 PolarHBondContact O-N 3.41Å
311F92.1Very high89Confident10 Ų1056.1 Ų56.14%0.04434%0.337CS..PPolyproline II helixtrans-60.4122.9177179.4-101.4000109.6P305 C306 S308 V318 G319 L321 P389P305-F311 HydrophobicContact CB-CD2 4.05Å; P305-F311 HydrophobicContact CB-CE2 4.34Å; P305-F311 WeakPolarHBondContact O-CB 3.39Å; P305-F311 WeakPolarHBondContact O-CD2 3.49Å; C306-F311 VanDerWaalsContact SG-CE2 3.56Å; C306-F311 WeakPolarHBondContact SG-CZ 3.47Å; S308-F311 WeakPolarHBondContact O-CB 3.34Å; S308-F311 PolarHBondContact O-N 2.65Å; F311-V318 CarbonylContact O-C 3.53Å; F311-V318 VanDerWaalsContact O-CA 3.32Å; F311-V318 WeakPolarHBondContact O-CA 3.31Å; F311-G319 PolarHBondContact O-N 3.47Å; F311-L321 HydrophobicContact CD1-CD1 4.18Å; F311-L321 HydrophobicContact CD1-CG 4.03Å; F311-L321 HydrophobicContact CE1-CD1 3.64Å; F311-L321 HydrophobicContact CE1-CG 4Å; F311-L321 HydrophobicContact CZ-CD1 4.37Å; F311-P389 HydrophobicContact CE1-CB 4.31Å; F311-P389 HydrophobicContact CZ-CB 4.08Å; F311-P389 HydrophobicContact CZ-CG 4.04Å
312R91Very high89.6Confident174 Ų17457.4 Ų57.466%0.65733%0.334SS*.BIsolated β-bridgetrans-97.1117.8170.3-175.8178-88.1-133-2108.5Q310 R317 V318Q310-R312 PolarHBondContact O-N 3.41Å; R312-R317 CarbonylContact C-O 3.6Å; R312-R317 VanDerWaalsContact CA-O 3.32Å; R312-R317 WeakPolarHBondContact CA-O 3.17Å; R312-V318 HydrophobicContact CG-CG2 4.45Å
313S85.9Confident90.2Very high7 Ų759.9 Ų59.95%0.04935%0.349CS..PPolyproline II helixtrans-75.1163.8177.587.20000111.7A315 G316 R317 E390S313-A315 PolarHBondContact O-N 2.72Å; S313-A315 PolarHBondContact OG-N 3.36Å; S313-G316 PolarHBondContact O-N 2.89Å; S313-R317 PolarHBondContact N-O 3.41Å; S313-R317 WeakPolarHBondContact OG-CB 3.17Å; S313-R317 PolarHBondContact OG-N 3.29Å; S313-E390 WeakPolarHBondContact CB-OE2 3.41Å; S313-E390 PolarHBondContact OG-OE2 3.44Å
314P79.4Confident90.6Very high74 Ų7464.1 Ų64.148%0.48136%0.364SS..THydrogen-bonded Turntrans-57.2-34173.6-25.537.1000113.2G316 L417P314-G316 PolarHBondContact O-N 3.1Å; P314-L417 HydrophobicContact CB-CD2 3.9Å; P314-L417 HydrophobicContact CG-CD2 3.69Å
315A81.3Confident90.9Very high67 Ų6765.5 Ų65.555%0.55437%0.367SS*.THydrogen-bonded Turntrans-75.91.2175.400000113.7S313 R317 E390S313-A315 PolarHBondContact O-N 2.72Å; S313-A315 PolarHBondContact OG-N 3.36Å; A315-R317 VanDerWaalsContact C-N 3.35Å; A315-E390 WeakPolarHBondContact CB-OE2 3.32Å
316G85.2Confident91.2Very high39 Ų3963.7 Ų63.740%0.40236%0.355SS..SBendtrans85.60.3179.900000114.9S313 P314S313-G316 PolarHBondContact O-N 2.89Å; P314-G316 PolarHBondContact O-N 3.1Å
317R89.8Confident91.4Very high97 Ų9766.1 Ų66.137%0.36637%0.371SS..  trans-64.3136174.8-178.8179.7178.3-95.14.7109.6R312 S313 A315 S320R312-R317 CarbonylContact C-O 3.6Å; R312-R317 VanDerWaalsContact CA-O 3.32Å; R312-R317 WeakPolarHBondContact CA-O 3.17Å; S313-R317 PolarHBondContact N-O 3.41Å; S313-R317 WeakPolarHBondContact OG-CB 3.17Å; S313-R317 PolarHBondContact OG-N 3.29Å; A315-R317 VanDerWaalsContact C-N 3.35Å; R317-S320 PolarHBondContact NH1-O 2.89Å
318V92.5Very high91.7Very high85 Ų8565.6 Ų65.652%0.51537%0.371SS..BIsolated β-bridgetrans-106.2126.9171-177.60000108.7F311 R312F311-V318 CarbonylContact O-C 3.53Å; F311-V318 VanDerWaalsContact O-CA 3.32Å; F311-V318 WeakPolarHBondContact O-CA 3.31Å; R312-V318 HydrophobicContact CG-CG2 4.45Å
319G92.8Very high91.9Very high14 Ų1464 Ų6414%0.14436%0.359CS..SBendtrans147162.8179.500000112.4S308 P309 F311S308-G319 CarbonylContact O-C 3.54Å; P309-G319 WeakPolarHBondContact O-CA 3.37Å; F311-G319 PolarHBondContact O-N 3.47Å
320S93.5Very high92.2Very high57 Ų5763.6 Ų63.640%0.39936%0.356SS..PPolyproline II helixtrans-62.7152.5172.652.60000111.2C306 S307 S308 R317C306-S320 WeakPolarHBondContact O-CA 3.42Å; S307-S320 WeakPolarHBondContact O-CB 3.39Å; S308-S320 WeakPolarHBondContact O-CA 3.49Å; S308-S320 PolarHBondContact O-N 3.08Å; R317-S320 PolarHBondContact NH1-O 2.89Å
321L94.6Very high92.4Very high7 Ų762.2 Ų62.24%0.03735%0.349CS..PPolyproline II helixtrans-103.4139.4173.3-58.6-175.5000110.5C306 F311 G336 A338 P389 E390C306-L321 HydrophobicContact CB-CB 4.27Å; C306-L321 HydrophobicContact CB-CD1 4.16Å; C306-L321 HydrophobicContact CB-CG 4.34Å; C306-L321 PolarHBondContact O-N 3.24Å; F311-L321 HydrophobicContact CD1-CD1 4.18Å; F311-L321 HydrophobicContact CD1-CG 4.03Å; F311-L321 HydrophobicContact CE1-CD1 3.64Å; F311-L321 HydrophobicContact CE1-CG 4Å; F311-L321 HydrophobicContact CZ-CD1 4.37Å; L321-G336 WeakPolarHBondContact CA-O 3.17Å; L321-A338 HydrophobicContact CB-CB 3.9Å; L321-A338 HydrophobicContact CD1-CB 4Å; L321-P389 HydrophobicContact CD1-CB 3.6Å; L321-P389 HydrophobicContact CD1-CG 4.49Å; L321-E390 HydrophobicContact CD1-CG 4.48Å; L321-E390 HydrophobicContact CD2-CG 4.18Å
322E93.7Very high92.6Very high115 Ų11562.3 Ų62.354%0.53735%0.353SS..EExtended strand (participates in β ladder)trans-83127.5173.9-65.9-176.6178.600110.4R324 G336 V337 A338E322-R324 PolarHBondContact O-N 3.2Å; E322-R324 IonicContact OE2-CZ 3.83Å; E322-R324 IonicContact OE2-NH2 3.19Å; E322-R324 PolarHBondContact OE2-NH2 2.87Å; E322-G336 PolarHBondContact N-O 3.23Å; E322-G336 VanDerWaalsContact N-O 3.12Å; E322-V337 HydrophobicContact CB-CG1 4.47Å; E322-V337 CarbonylContact O-C 3.6Å; E322-V337 WeakPolarHBondContact O-CA 3.13Å; E322-V337 WeakPolarHBondContact O-CB 3.41Å; E322-A338 PolarHBondContact O-N 2.98Å
323P94.2Very high92.8Very high62 Ų6258.4 Ų58.440%0.40334%0.342SS..EExtended strand (participates in β ladder)trans-63.5134.4172.626.5-32000110.2L303 A338L303-P323 HydrophobicContact CD1-CB 4.27Å; L303-P323 HydrophobicContact CD1-CG 4.12Å; L303-P323 HydrophobicContact CD2-CB 4.28Å; P323-A338 WeakPolarHBondContact CA-O 3.28Å
324R95.9Very high93.3Very high98 Ų9858.8 Ų58.837%0.3734%0.343SS..EExtended strand (participates in β ladder)trans-131.3137.1177.8-161.173.764.8-163-7.9110.4E322 A328 L329 V337 A338E322-R324 PolarHBondContact O-N 3.2Å; E322-R324 IonicContact OE2-CZ 3.83Å; E322-R324 IonicContact OE2-NH2 3.19Å; E322-R324 PolarHBondContact OE2-NH2 2.87Å; R324-A328 HydrophobicContact CG-CB 4.03Å; R324-L329 HydrophobicContact CB-CD2 4.02Å; R324-L329 HydrophobicContact CG-CD2 4.04Å; R324-V337 HydrophobicContact CB-CB 4.12Å; R324-V337 HydrophobicContact CB-CG1 4.47Å; R324-V337 HydrophobicContact CB-CG2 4.48Å; R324-A338 PolarHBondContact N-O 2.88Å
325N95.8Very high94Very high51 Ų5159.7 Ų59.727%0.27335%0.347SS..  trans-64.7148.1173.3-63.7-27.6000110.3S327 A328 L329 D361 S362 E363N325-S327 VanDerWaalsContact C-N 3.26Å; N325-S327 PolarHBondContact O-N 2.9Å; N325-A328 PolarHBondContact O-N 3Å; N325-A328 VanDerWaalsContact O-N 3.12Å; N325-L329 PolarHBondContact O-N 2.85Å; N325-D361 WeakPolarHBondContact CA-OD2 3.45Å; N325-D361 WeakPolarHBondContact CB-OD2 3.38Å; N325-S362 PolarHBondContact OD1-OG 2.99Å; N325-E363 HydrophobicContact CB-CG 4.44Å; N325-E363 PolarHBondContact ND2-OE1 2.87Å
326L97.1Very high94.6Very high2 Ų257 Ų571%0.0133%0.326CS..THydrogen-bonded Turntrans-62.5-35.5-176.9-65.9172.6000112.1A328 L329 A339 M359 D361 T365 C367 R408 I410L326-A328 VanDerWaalsContact C-N 3.28Å; L326-A328 PolarHBondContact O-N 3.24Å; L326-L329 HydrophobicContact CD2-CD1 3.98Å; L326-L329 PolarHBondContact O-N 2.84Å; L326-A339 HydrophobicContact CD2-CB 3.95Å; L326-M359 HydrophobicContact CD1-CE 4.38Å; L326-M359 HydrophobicContact CD1-CG 4.17Å; L326-M359 HydrophobicContact CD2-CE 3.59Å; L326-D361 WeakPolarHBondContact CB-OD2 3.37Å; L326-D361 HydrophobicContact CD1-CB 3.85Å; L326-D361 HydrophobicContact CG-CB 3.93Å; L326-D361 PolarHBondContact N-OD2 2.97Å; L326-T365 HydrophobicContact CB-CG2 3.79Å; L326-T365 WeakPolarHBondContact CD1-O 3.36Å; L326-C367 HydrophobicContact CB-CB 4.49Å; L326-C367 HydrophobicContact CD1-CB 3.87Å; L326-C367 HydrophobicContact CD2-CB 4.18Å; L326-C367 HydrophobicContact CG-CB 4.41Å; L326-R408 PolarHBondContact O-NH1 3.43Å; L326-R408 PolarHBondContact O-NH2 3.2Å; L326-I410 HydrophobicContact CD2-CD1 3.89Å
327S96.6Very high95.1Very high50 Ų5055.8 Ų55.835%0.3531%0.311SS..THydrogen-bonded Turntrans-56-43174.457.60000111.6N325 E363 R408N325-S327 VanDerWaalsContact C-N 3.26Å; N325-S327 PolarHBondContact O-N 2.9Å; S327-E363 PolarHBondContact OG-OE2 3.11Å; S327-R408 PolarHBondContact O-NH1 3.15Å
328A97.1Very high95.4Very high59 Ų5951.1 Ų51.149%0.48829%0.293SS..THydrogen-bonded Turntrans-83.2-9.3-17400000115R324 N325 L326R324-A328 HydrophobicContact CG-CB 4.03Å; N325-A328 PolarHBondContact O-N 3Å; N325-A328 VanDerWaalsContact O-N 3.12Å; L326-A328 VanDerWaalsContact C-N 3.28Å; L326-A328 PolarHBondContact O-N 3.24Å
329L97.6Very high95.6Very high8 Ų847.1 Ų47.14%0.04227%0.269CS..PPolyproline II helixtrans-70.4139175.6-58.9171.4000111R324 N325 L326 N334 V337 A339 P391 V393 R408 I410R324-L329 HydrophobicContact CB-CD2 4.02Å; R324-L329 HydrophobicContact CG-CD2 4.04Å; N325-L329 PolarHBondContact O-N 2.85Å; L326-L329 HydrophobicContact CD2-CD1 3.98Å; L326-L329 PolarHBondContact O-N 2.84Å; L329-N334 HydrophobicContact CD2-CB 4.22Å; L329-V337 HydrophobicContact CD2-CG2 4.08Å; L329-A339 HydrophobicContact CD1-CB 4.01Å; L329-P391 HydrophobicContact CD1-CB 4.4Å; L329-P391 HydrophobicContact CD1-CG 3.8Å; L329-P391 HydrophobicContact CD2-CG 3.81Å; L329-P391 HydrophobicContact CG-CG 4.44Å; L329-V393 HydrophobicContact CB-CG2 3.78Å; L329-V393 HydrophobicContact CD1-CG2 4Å; L329-R408 PolarHBondContact O-NH2 2.91Å; L329-I410 HydrophobicContact CD1-CD1 4.08Å
330T96.8Very high95.8Very high92 Ų9247.4 Ų47.456%0.56427%0.267SS*.PPolyproline II helixtrans-93.5158.8177.2550000111.5N334 V393T330-N334 PolarHBondContact N-OD1 2.88Å; T330-N334 PolarHBondContact O-ND2 3.36Å; T330-N334 PolarHBondContact O-OD1 3.1Å; T330-N334 PolarHBondContact OG1-OD1 3.18Å; T330-V393 WeakPolarHBondContact O-CB 3.1Å
331H96.9Very high95.9Very high138 Ų13844.7 Ų44.764%0.63925%0.248SC*.SBendtrans-56.5141.6172.1-179.578.9000111.3V393H331-V393 PolarHBondContact ND1-O 3.29Å
332G96.1Very high96.1Very high13 Ų1345.1 Ų45.113%0.13425%0.25CC..EExtended strand (participates in β ladder)trans87.1-154.1-176.700000113.3N334 Q392 V393G332-N334 PolarHBondContact O-ND2 2.96Å; G332-Q392 WeakPolarHBondContact O-CA 3.38Å; G332-Q392 PolarHBondContact O-OE1 3.17Å; G332-V393 PolarHBondContact N-O 3.3Å; G332-V393 PolarHBondContact O-N 2.78Å
333H95.3Very high96.3Very high92 Ų9239.6 Ų39.643%0.42622%0.224SC..EExtended strand (participates in β ladder)trans-84125.1-172.6-172.564.1000110.9T335 E390 Q392H333-T335 PolarHBondContact CD2-OG1 2.76Å; H333-E390 PolarHBondContact CE1-O 2.84Å; H333-E390 VanDerWaalsContact CE1-O 3.32Å; H333-E390 PolarHBondContact ND1-O 3.24Å; H333-Q392 VanDerWaalsContact CB-OE1 3.25Å
334N96.6Very high96.5Very high15 Ų1536.7 Ų36.78%0.0821%0.205CC..  trans-103.386.3-178.5-68-102.4000110.2L329 T330 G332 V337 E390 P391L329-N334 HydrophobicContact CD2-CB 4.22Å; T330-N334 PolarHBondContact N-OD1 2.88Å; T330-N334 PolarHBondContact O-ND2 3.36Å; T330-N334 PolarHBondContact O-OD1 3.1Å; T330-N334 PolarHBondContact OG1-OD1 3.18Å; G332-N334 PolarHBondContact O-ND2 2.96Å; N334-V337 HydrophobicContact CB-CG2 3.61Å; N334-V337 WeakPolarHBondContact O-CG2 3.39Å; N334-E390 WeakPolarHBondContact O-CA 3.49Å; N334-P391 HydrophobicContact CB-CG 4.03Å; N334-P391 PolarHBondContact N-O 3.12Å; N334-P391 VanDerWaalsContact N-O 3.1Å; N334-P391 PolarHBondContact ND2-O 2.58Å
335T94.7Very high96.5Very high92 Ų9232.3 Ų32.356%0.56419%0.189SC*.THydrogen-bonded Turntrans-67.7142.5-175.5-500000113H333 V337 E390H333-T335 PolarHBondContact CD2-OG1 2.76Å; T335-V337 PolarHBondContact O-N 2.88Å; T335-E390 WeakPolarHBondContact CG2-OE1 3.46Å
336G94.4Very high96.5Very high10 Ų1032.6 Ų32.610%0.10320%0.195CC..THydrogen-bonded Turntrans74.31.5173.400000116.2L321 E322 E390L321-G336 WeakPolarHBondContact CA-O 3.17Å; E322-G336 PolarHBondContact N-O 3.23Å; E322-G336 VanDerWaalsContact N-O 3.12Å; G336-E390 PolarHBondContact N-OE1 3.01Å
337V95.8Very high96.2Very high14 Ų1433.9 Ų33.99%0.08520%0.201CC..EExtended strand (participates in β ladder)trans-118.1162.6178.9-57.90000111.9E322 R324 L329 N334 T335 E390E322-V337 HydrophobicContact CB-CG1 4.47Å; E322-V337 CarbonylContact O-C 3.6Å; E322-V337 WeakPolarHBondContact O-CA 3.13Å; E322-V337 WeakPolarHBondContact O-CB 3.41Å; R324-V337 HydrophobicContact CB-CB 4.12Å; R324-V337 HydrophobicContact CB-CG1 4.47Å; R324-V337 HydrophobicContact CB-CG2 4.48Å; L329-V337 HydrophobicContact CD2-CG2 4.08Å; N334-V337 HydrophobicContact CB-CG2 3.61Å; N334-V337 WeakPolarHBondContact O-CG2 3.39Å; T335-V337 PolarHBondContact O-N 2.88Å; V337-E390 WeakPolarHBondContact O-CA 3.02Å; V337-E390 PolarHBondContact O-N 2.94Å
338A95.8Very high95.2Very high0 Ų034.6 Ų34.60%021%0.21CC..EExtended strand (participates in β ladder)trans-128.3130.9173.600000110.5L303 L321 E322 P323 R324 V387 I388L303-A338 HydrophobicContact CD2-CB 4.03Å; L321-A338 HydrophobicContact CB-CB 3.9Å; L321-A338 HydrophobicContact CD1-CB 4Å; E322-A338 PolarHBondContact O-N 2.98Å; P323-A338 WeakPolarHBondContact CA-O 3.28Å; R324-A338 PolarHBondContact N-O 2.88Å; A338-V387 HydrophobicContact CB-CG1 3.86Å; A338-I388 WeakPolarHBondContact CA-O 3.45Å
339A96.9Very high93.7Very high0 Ų033.1 Ų33.10%020%0.196CC..EExtended strand (participates in β ladder)trans-79.9136.9167.700000109.3L326 L329 M359 V387 I388 P391 I410L326-A339 HydrophobicContact CD2-CB 3.95Å; L329-A339 HydrophobicContact CD1-CB 4.01Å; A339-M359 HydrophobicContact CB-CE 3.88Å; A339-V387 CarbonylContact O-C 3.36Å; A339-V387 VanDerWaalsContact O-CA 3.24Å; A339-V387 WeakPolarHBondContact O-CA 3.31Å; A339-I388 HydrophobicContact CB-CB 4.29Å; A339-I388 PolarHBondContact N-O 3.28Å; A339-I388 PolarHBondContact O-N 2.84Å; A339-P391 HydrophobicContact CB-CB 4.39Å; A339-P391 HydrophobicContact CB-CG 4.12Å; A339-I410 HydrophobicContact CB-CD1 4.14Å
340L95.9Very high91.9Very high20 Ų2040.1 Ų40.111%0.10523%0.229CC..EExtended strand (participates in β ladder)trans-132.2130.7179.2169.465.9000109.5L298 A302 V386 V387L298-L340 HydrophobicContact CD1-CD1 3.65Å; L298-L340 HydrophobicContact CD1-CD2 4.12Å; L298-L340 HydrophobicContact CD1-CG 3.69Å; L298-L340 HydrophobicContact CD2-CG 4.27Å; L298-L340 HydrophobicContact CG-CD1 4.45Å; L298-L340 HydrophobicContact CG-CD2 4.03Å; L298-L340 HydrophobicContact CG-CG 3.98Å; A302-L340 HydrophobicContact CB-CD1 3.77Å; A302-L340 HydrophobicContact CB-CD2 4.45Å; L340-V386 WeakPolarHBondContact CA-O 3.47Å; L340-V387 HydrophobicContact CB-CG2 4.38Å; L340-V387 HydrophobicContact CD1-CG2 3.42Å; L340-V387 VanDerWaalsContact CD1-CG2 3.42Å; L340-V387 HydrophobicContact CG-CG2 4.44Å
341G96.9Very high90.2Very high0 Ų038.8 Ų38.80%023%0.234CC..EExtended strand (participates in β ladder)trans-160.4175.9178.900000114.3V360 S385 V386G341-V360 CarbonylContact C-O 3.51Å; G341-V360 VanDerWaalsContact CA-O 3.22Å; G341-V360 WeakPolarHBondContact CA-O 3.5Å; G341-S385 WeakPolarHBondContact O-CA 3.43Å; G341-V386 PolarHBondContact N-O 3.41Å; G341-V386 PolarHBondContact O-N 2.88Å
342K97.6Very high88.6Confident16 Ų1637 Ų377%0.0722%0.221CC..EExtended strand (participates in β ladder)trans-105.1131.9174.3-72.4-60.2-158.5173.60111.1M294 L295 L298 V344 M359 V360 G383 D384 S385M294-K342 HydrophobicContact CB-CB 4.37Å; M294-K342 HydrophobicContact CB-CG 4.09Å; M294-K342 WeakPolarHBondContact O-CE 3.17Å; L295-K342 HydrophobicContact CD2-CB 4.44Å; L295-K342 HydrophobicContact CD2-CG 4.26Å; L298-K342 HydrophobicContact CD1-CD 4.23Å; L298-K342 HydrophobicContact CD1-CG 4.11Å; K342-V344 PolarHBondContact O-N 3.23Å; K342-M359 CarbonylContact O-C 3.48Å; K342-M359 WeakPolarHBondContact O-CA 3.25Å; K342-M359 WeakPolarHBondContact O-CB 3.22Å; K342-V360 PolarHBondContact N-O 3.36Å; K342-V360 PolarHBondContact O-N 2.72Å; K342-G383 WeakPolarHBondContact CD-O 3.35Å; K342-G383 PolarHBondContact NZ-O 3.11Å; K342-D384 WeakPolarHBondContact CA-O 2.99Å; K342-D384 WeakPolarHBondContact CD-O 3.46Å; K342-S385 VanDerWaalsContact CE-OG 3.29Å; K342-S385 WeakPolarHBondContact CE-OG 3.28Å; K342-S385 PolarHBondContact NZ-OG 2.87Å
343V98.1Very high87.7Confident0 Ų038 Ų380%022%0.222CC..EExtended strand (participates in β ladder)trans-66.5130175.9-178.30000110.1F357 G358 V380 L381 G383 D384 V386V343-F357 HydrophobicContact CG1-CB 4.29Å; V343-F357 HydrophobicContact CG1-CD2 4.25Å; V343-F357 HydrophobicContact CG2-CD2 3.98Å; V343-F357 HydrophobicContact CG2-CE2 4.14Å; V343-G358 WeakPolarHBondContact CA-O 3.41Å; V343-V380 HydrophobicContact CG1-CG2 4.15Å; V343-V380 HydrophobicContact CG2-CB 4.13Å; V343-V380 HydrophobicContact CG2-CG2 3.77Å; V343-L381 WeakPolarHBondContact CB-O 3.41Å; V343-G383 PolarHBondContact O-N 2.83Å; V343-D384 HydrophobicContact CG2-CB 4.12Å; V343-D384 PolarHBondContact N-O 3.19Å; V343-V386 HydrophobicContact CG2-CG2 3.57Å
344V98.1Very high87.5Confident0 Ų033.9 Ų33.90%021%0.205CC..EExtended strand (participates in β ladder)trans-117.2-24.3-178.7-70.20000114.1V286 L291 K342 G358 V360V286-V344 HydrophobicContact CG2-CB 4.04Å; V286-V344 HydrophobicContact CG2-CG1 4.25Å; L291-V344 HydrophobicContact CD1-CG1 4.14Å; K342-V344 PolarHBondContact O-N 3.23Å; V344-G358 WeakPolarHBondContact CG2-O 3.41Å; V344-G358 PolarHBondContact N-O 3.32Å; V344-V360 HydrophobicContact CB-CG2 4.32Å; V344-V360 HydrophobicContact CG1-CB 4.11Å; V344-V360 HydrophobicContact CG1-CG2 3.61Å; V344-V360 HydrophobicContact CG2-CG2 3.75Å
345F97.6Very high87.3Confident7 Ų734 Ų343%0.03121%0.205CC..EExtended strand (participates in β ladder)trans-154.2162.9170.965.2-97.4000110L276 L279 L347 F357 G358L276-F345 HydrophobicContact CD1-CE2 4.06Å; L276-F345 HydrophobicContact CD1-CZ 4.28Å; L279-F345 HydrophobicContact CB-CD1 3.73Å; L279-F345 HydrophobicContact CB-CD2 3.99Å; L279-F345 HydrophobicContact CB-CE1 3.75Å; L279-F345 HydrophobicContact CB-CE2 4.02Å; L279-F345 HydrophobicContact CB-CG 3.85Å; L279-F345 HydrophobicContact CB-CZ 3.9Å; L279-F345 HydrophobicContact CD1-CB 4.33Å; L279-F345 HydrophobicContact CD1-CD2 3.84Å; L279-F345 HydrophobicContact CD1-CE2 4.33Å; L279-F345 HydrophobicContact CD1-CG 4.11Å; L279-F345 HydrophobicContact CD2-CB 4.42Å; L279-F345 HydrophobicContact CG-CG 4.41Å; L279-F345 WeakPolarHBondContact O-CE1 3.41Å; F345-L347 HydrophobicContact CD2-CG 4.32Å; F345-L347 HydrophobicContact CE2-CD1 4.26Å; F345-L347 HydrophobicContact CE2-CG 4.47Å; F345-F357 VanDerWaalsContact O-CA 3.28Å; F345-F357 WeakPolarHBondContact O-CA 3.48Å; F345-F357 WeakPolarHBondContact O-CB 3.46Å; F345-G358 VanDerWaalsContact CE1-CA 3.43Å; F345-G358 VanDerWaalsContact CE2-N 3.31Å; F345-G358 VanDerWaalsContact CZ-CA 3.41Å; F345-G358 PolarHBondContact O-N 2.84Å
346S95.4Very high87.4Confident57 Ų5729.7 Ų29.740%0.39918%0.178SC..EExtended strand (participates in β ladder)trans-133151.6167.6560000110.5T356S346-T356 CarbonylContact C-O 3.56Å; S346-T356 WeakPolarHBondContact CA-O 3.4Å
347L90.8Very high87.5Confident29 Ų2929.2 Ų29.215%0.15217%0.173CC..EExtended strand (participates in β ladder)trans-136.3119.8176.8-73.5173.7000107.8K275 L276 L279 F345 T356K275-L347 HydrophobicContact CB-CD1 4.47Å; K275-L347 HydrophobicContact CB-CD2 4.45Å; L276-L347 HydrophobicContact CB-CD1 4.05Å; L276-L347 HydrophobicContact CD1-CD1 3.83Å; L279-L347 HydrophobicContact CD1-CD1 3.96Å; L279-L347 HydrophobicContact CD1-CD2 3.77Å; L279-L347 HydrophobicContact CD1-CG 3.88Å; F345-L347 HydrophobicContact CD2-CG 4.32Å; F345-L347 HydrophobicContact CE2-CD1 4.26Å; F345-L347 HydrophobicContact CE2-CG 4.47Å; L347-T356 PolarHBondContact N-O 3.2Å; L347-T356 PolarHBondContact O-N 3.27Å; L347-T356 VanDerWaalsContact O-O 3.06Å
348A74.4Confident87.6Confident65 Ų6528.6 Ų28.654%0.53717%0.169SC..EExtended strand (participates in β ladder)trans-100118.3164.300000107.1
349S65.9Low87.7Confident28 Ų2828.6 Ų28.620%0.19617%0.169CC..PPolyproline II helixtrans-72.6144.8171.575.80000109.4G351 R352S349-G351 PolarHBondContact O-N 3.37Å; S349-R352 WeakPolarHBondContact O-CG 3.33Å; S349-R352 PolarHBondContact O-N 3.17Å; S349-R352 VanDerWaalsContact O-N 3.13Å
350E59.7Low87.8Confident155 Ų15528.6 Ų28.672%0.72417%0.169SC*.THydrogen-bonded Turntrans-59.1137.6163.2-70.6-176.8168.100108.6R352E350-R352 VanDerWaalsContact C-N 3.31Å; E350-R352 PolarHBondContact O-N 3.46Å
351G61.3Low87.8Confident64 Ų6427.7 Ų27.766%0.6617%0.165SC*.THydrogen-bonded Turntrans72.415.1-172.900000116.1S349 M353S349-G351 PolarHBondContact O-N 3.37Å; G351-M353 PolarHBondContact O-N 2.8Å; G351-M353 VanDerWaalsContact O-N 3.14Å
352R63.7Low87.6Confident99 Ų9931.3 Ų31.337%0.37419%0.19SC..  trans5.882.9176.8-62.8-167.1-139.2-166.812.7116.6S349 E350 D376S349-R352 WeakPolarHBondContact O-CG 3.33Å; S349-R352 PolarHBondContact O-N 3.17Å; S349-R352 VanDerWaalsContact O-N 3.13Å; E350-R352 VanDerWaalsContact C-N 3.31Å; E350-R352 PolarHBondContact O-N 3.46Å; R352-D376 IonicContact CZ-OD1 3.34Å; R352-D376 IonicContact NE-OD1 3.99Å; R352-D376 PolarHBondContact NE-OD1 3.25Å; R352-D376 PolarHBondContact NH1-O 2.92Å; R352-D376 IonicContact NH1-OD1 2.76Å; R352-D376 IonicContact NH2-OD1 3.72Å; R352-D376 PolarHBondContact NH2-OD1 3.26Å
353M77.9Confident87.5Confident34 Ų3435.6 Ų35.617%0.16721%0.21CC..SBendtrans-72.3-37.3161.6-69.8-169.2-176.800111.5T234 Q237 G351 Y372T234-M353 HydrophobicContact CG2-CE 3.85Å; Q237-M353 HydrophobicContact CB-CE 4.05Å; Q237-M353 HydrophobicContact CB-SD 3.87Å; Q237-M353 VanDerWaalsContact CD-SD 3.56Å; Q237-M353 HydrophobicContact CG-CE 4.04Å; Q237-M353 HydrophobicContact CG-SD 3.52Å; Q237-M353 VanDerWaalsContact CG-SD 3.52Å; G351-M353 PolarHBondContact O-N 2.8Å; G351-M353 VanDerWaalsContact O-N 3.14Å; M353-Y372 WeakPolarHBondContact O-CD1 3.45Å
354A89.3Confident87.3Confident7 Ų739.4 Ų39.46%0.05823%0.228CC..  trans-147.7148.4177.600000111.3M370 V371 Y372A354-M370 HydrophobicContact CB-CB 4.34Å; A354-V371 CarbonylContact C-O 3.56Å; A354-V371 VanDerWaalsContact CA-O 3.26Å; A354-V371 WeakPolarHBondContact CA-O 3.41Å; A354-V371 WeakPolarHBondContact CB-O 3.19Å; A354-Y372 HydrophobicContact CB-CD1 4.02Å; A354-Y372 HydrophobicContact CB-CD2 4.2Å; A354-Y372 HydrophobicContact CB-CE1 3.86Å; A354-Y372 HydrophobicContact CB-CE2 3.99Å; A354-Y372 HydrophobicContact CB-CG 4.21Å
355F93.4Very high87.3Confident18 Ų1841.4 Ų41.48%0.07924%0.24CC..EExtended strand (participates in β ladder)trans-81.9121.2162.6-177.5-86.2000108.8F357 V371 T374 W378 V380F355-F357 AromaticContact CD1-CD1 3.89Å; F355-F357 HydrophobicContact CD1-CD1 3.89Å; F355-F357 HydrophobicContact CE1-CB 4.23Å; F355-F357 AromaticContact CE1-CD1 3.78Å; F355-F357 HydrophobicContact CE1-CD1 3.78Å; F355-F357 HydrophobicContact CE1-CG 4.43Å; F355-V371 PolarHBondContact N-O 3.03Å; F355-V371 PolarHBondContact O-N 2.91Å; F355-T374 HydrophobicContact CB-CG2 4Å; F355-W378 HydrophobicContact CB-CE3 4.38Å; F355-W378 HydrophobicContact CB-CZ3 4.04Å; F355-W378 HydrophobicContact CD1-CE3 4.41Å; F355-W378 HydrophobicContact CD1-CH2 4.44Å; F355-W378 AromaticContact CD1-CZ3 3.68Å; F355-W378 HydrophobicContact CD1-CZ3 3.68Å; F355-W378 HydrophobicContact CE1-CZ3 4.39Å; F355-W378 HydrophobicContact CG-CE3 4.3Å; F355-W378 AromaticContact CG-CZ3 3.94Å; F355-W378 HydrophobicContact CG-CZ3 3.94Å; F355-V380 HydrophobicContact CE1-CG2 3.88Å
356T95.9Very high87.2Confident1 Ų142.3 Ų42.31%0.00625%0.247CC..EExtended strand (participates in β ladder)trans-113.1137.6-173.7-60.90000111.1Y272 L276 S346 L347 V368 I369 M370Y272-T356 WeakPolarHBondContact OH-CG2 3.38Å; Y272-T356 PolarHBondContact OH-OG1 3.23Å; L276-T356 HydrophobicContact CD1-CG2 3.62Å; S346-T356 CarbonylContact C-O 3.56Å; S346-T356 WeakPolarHBondContact CA-O 3.4Å; L347-T356 PolarHBondContact N-O 3.2Å; L347-T356 PolarHBondContact O-N 3.27Å; L347-T356 VanDerWaalsContact O-O 3.06Å; T356-V368 HydrophobicContact CG2-CG1 3.61Å; T356-I369 VanDerWaalsContact CA-O 3.28Å; T356-I369 WeakPolarHBondContact CA-O 3.27Å; T356-M370 HydrophobicContact CG2-CG 4.25Å
357F97.7Very high87.3Confident0 Ų039.8 Ų39.80%023%0.229CC..EExtended strand (participates in β ladder)trans-146.5154.6173.164.2-90.3000111.3V343 F345 F355 M359 I369 V371 V380 V386V343-F357 HydrophobicContact CG1-CB 4.29Å; V343-F357 HydrophobicContact CG1-CD2 4.25Å; V343-F357 HydrophobicContact CG2-CD2 3.98Å; V343-F357 HydrophobicContact CG2-CE2 4.14Å; F345-F357 VanDerWaalsContact O-CA 3.28Å; F345-F357 WeakPolarHBondContact O-CA 3.48Å; F345-F357 WeakPolarHBondContact O-CB 3.46Å; F355-F357 AromaticContact CD1-CD1 3.89Å; F355-F357 HydrophobicContact CD1-CD1 3.89Å; F355-F357 HydrophobicContact CE1-CB 4.23Å; F355-F357 AromaticContact CE1-CD1 3.78Å; F355-F357 HydrophobicContact CE1-CD1 3.78Å; F355-F357 HydrophobicContact CE1-CG 4.43Å; F357-M359 HydrophobicContact CD2-CB 4.47Å; F357-M359 HydrophobicContact CE2-CB 4.31Å; F357-M359 HydrophobicContact CE2-SD 4.41Å; F357-I369 HydrophobicContact CD1-CB 4.2Å; F357-I369 HydrophobicContact CD1-CG2 4.32Å; F357-I369 HydrophobicContact CD2-CB 4.1Å; F357-I369 HydrophobicContact CD2-CG1 4.39Å; F357-I369 HydrophobicContact CE1-CB 3.83Å; F357-I369 HydrophobicContact CE1-CG2 3.56Å; F357-I369 HydrophobicContact CE2-CB 3.7Å; F357-I369 HydrophobicContact CE2-CD1 4.29Å; F357-I369 HydrophobicContact CE2-CG1 3.76Å; F357-I369 HydrophobicContact CE2-CG2 4.1Å; F357-I369 HydrophobicContact CG-CB 4.34Å; F357-I369 HydrophobicContact CZ-CB 3.56Å; F357-I369 HydrophobicContact CZ-CG1 3.92Å; F357-I369 HydrophobicContact CZ-CG2 3.42Å; F357-I369 VanDerWaalsContact CZ-CG2 3.42Å; F357-I369 PolarHBondContact N-O 3.2Å; F357-I369 PolarHBondContact O-N 3.05Å; F357-V371 HydrophobicContact CD1-CG2 4.35Å; F357-V371 HydrophobicContact CE1-CG2 3.62Å; F357-V380 HydrophobicContact CB-CG2 4.22Å; F357-V380 HydrophobicContact CD1-CG2 3.64Å; F357-V380 HydrophobicContact CD2-CG2 4.07Å; F357-V380 HydrophobicContact CE1-CG2 3.89Å; F357-V380 HydrophobicContact CE2-CG2 4.32Å; F357-V380 HydrophobicContact CG-CG2 3.72Å; F357-V380 HydrophobicContact CZ-CG2 4.23Å; F357-V386 HydrophobicContact CE2-CB 4.43Å; F357-V386 HydrophobicContact CE2-CG1 4.35Å; F357-V386 HydrophobicContact CE2-CG2 4.22Å; F357-V386 HydrophobicContact CZ-CG1 4.03Å; F357-V386 HydrophobicContact CZ-CG2 4.35Å
358G98.2Very high87.7Confident0 Ų038.4 Ų38.40%022%0.222CC..EExtended strand (participates in β ladder)trans-94.7139.4170.400000110.4V343 V344 F345 C367V343-G358 WeakPolarHBondContact CA-O 3.41Å; V344-G358 WeakPolarHBondContact CG2-O 3.41Å; V344-G358 PolarHBondContact N-O 3.32Å; F345-G358 VanDerWaalsContact CE1-CA 3.43Å; F345-G358 VanDerWaalsContact CE2-N 3.31Å; F345-G358 VanDerWaalsContact CZ-CA 3.41Å; F345-G358 PolarHBondContact O-N 2.84Å; G358-C367 WeakPolarHBondContact CA-O 3.35Å
359M97.3Very high88.8Confident0 Ų035.3 Ų35.30%020%0.197CC..EExtended strand (participates in β ladder)trans-126.1152.5168.187.8-167.2176.400112.1L326 A339 K342 F357 C366 C367 I369 V386 I388 I410L326-M359 HydrophobicContact CD1-CE 4.38Å; L326-M359 HydrophobicContact CD1-CG 4.17Å; L326-M359 HydrophobicContact CD2-CE 3.59Å; A339-M359 HydrophobicContact CB-CE 3.88Å; K342-M359 CarbonylContact O-C 3.48Å; K342-M359 WeakPolarHBondContact O-CA 3.25Å; K342-M359 WeakPolarHBondContact O-CB 3.22Å; F357-M359 HydrophobicContact CD2-CB 4.47Å; F357-M359 HydrophobicContact CE2-CB 4.31Å; F357-M359 HydrophobicContact CE2-SD 4.41Å; M359-C366 WeakPolarHBondContact O-CA 3.48Å; M359-C367 PolarHBondContact N-O 3.43Å; M359-C367 PolarHBondContact O-N 2.83Å; M359-I369 HydrophobicContact CB-CD1 4.15Å; M359-I369 HydrophobicContact CE-CD1 3.94Å; M359-I369 HydrophobicContact CE-CG1 4.21Å; M359-I369 HydrophobicContact CG-CD1 3.6Å; M359-I369 HydrophobicContact CG-CG1 4.46Å; M359-I369 HydrophobicContact SD-CD1 3.7Å; M359-I369 HydrophobicContact SD-CG1 3.94Å; M359-V386 HydrophobicContact SD-CB 4.44Å; M359-I388 HydrophobicContact CE-CD1 3.79Å; M359-I388 HydrophobicContact CE-CG1 4.23Å; M359-I388 HydrophobicContact SD-CD1 4.27Å; M359-I410 HydrophobicContact CE-CD1 4.07Å
360V97.8Very high90.2Very high0 Ų034 Ų340%019%0.188CC..EExtended strand (participates in β ladder)trans-122133.5-179.5179.40000109.7K283 L291 L295 G341 K342 V344 E364 T365 C366K283-V360 HydrophobicContact CB-CG2 4.36Å; K283-V360 HydrophobicContact CG-CG2 4.23Å; L291-V360 HydrophobicContact CD1-CB 4.35Å; L291-V360 HydrophobicContact CD1-CG1 4.19Å; L295-V360 HydrophobicContact CD1-CG1 4.39Å; L295-V360 HydrophobicContact CD2-CG1 4.38Å; G341-V360 CarbonylContact C-O 3.51Å; G341-V360 VanDerWaalsContact CA-O 3.22Å; G341-V360 WeakPolarHBondContact CA-O 3.5Å; K342-V360 PolarHBondContact N-O 3.36Å; K342-V360 PolarHBondContact O-N 2.72Å; V344-V360 HydrophobicContact CB-CG2 4.32Å; V344-V360 HydrophobicContact CG1-CB 4.11Å; V344-V360 HydrophobicContact CG1-CG2 3.61Å; V344-V360 HydrophobicContact CG2-CG2 3.75Å; V360-E364 VanDerWaalsContact CG1-CA 3.46Å; V360-E364 HydrophobicContact CG1-CB 4.22Å; V360-T365 VanDerWaalsContact CA-O 3.31Å; V360-T365 WeakPolarHBondContact CA-O 3.39Å; V360-C366 HydrophobicContact CG2-CB 3.95Å
361D96.3Very high91.9Very high1 Ų126.6 Ų26.61%0.00515%0.153CC..  trans-91.9-174.2177.3714.8000112.9L295 N325 L326 E363 E364 T365L295-D361 VanDerWaalsContact CD2-O 3.25Å; L295-D361 WeakPolarHBondContact CD2-O 3.24Å; N325-D361 WeakPolarHBondContact CA-OD2 3.45Å; N325-D361 WeakPolarHBondContact CB-OD2 3.38Å; L326-D361 WeakPolarHBondContact CB-OD2 3.37Å; L326-D361 HydrophobicContact CD1-CB 3.85Å; L326-D361 HydrophobicContact CG-CB 3.93Å; L326-D361 PolarHBondContact N-OD2 2.97Å; D361-E363 PolarHBondContact O-N 3.3Å; D361-E363 WeakPolarHBondContact OD1-CA 3.27Å; D361-E363 PolarHBondContact OD1-N 2.95Å; D361-E364 PolarHBondContact O-N 3.14Å; D361-E364 VanDerWaalsContact O-N 3.08Å; D361-E364 PolarHBondContact OD1-N 2.62Å; D361-T365 PolarHBondContact N-O 2.92Å; D361-T365 WeakPolarHBondContact OD1-CB 3.39Å; D361-T365 PolarHBondContact OD1-N 3.46Å
362S93.8Very high93.4Very high76 Ų7623.8 Ų23.853%0.53112%0.123SC..THydrogen-bonded Turntrans-66.3-19.1179.547.50000114.8N325N325-S362 PolarHBondContact OD1-OG 2.99Å
363E94.6Very high94.6Very high106 Ų10619.8 Ų19.850%0.49511%0.108SC..THydrogen-bonded Turntrans-90.48.3174.4-66.4-176.7171.600112N325 S327 D361 T365N325-E363 HydrophobicContact CB-CG 4.44Å; N325-E363 PolarHBondContact ND2-OE1 2.87Å; S327-E363 PolarHBondContact OG-OE2 3.11Å; D361-E363 PolarHBondContact O-N 3.3Å; D361-E363 WeakPolarHBondContact OD1-CA 3.27Å; D361-E363 PolarHBondContact OD1-N 2.95Å; E363-T365 PolarHBondContact O-N 3.03Å
364E95Very high95.2Very high81 Ų8119 Ų1938%0.37911%0.106SC..  trans57.622.7-171.5-44-167.3-178.500115K283 L295 V360 D361K283-E364 WeakPolarHBondContact CE-O 3.41Å; K283-E364 VanDerWaalsContact NZ-CB 3.26Å; K283-E364 PolarHBondContact NZ-O 3.04Å; K283-E364 IonicContact NZ-OE2 2.8Å; K283-E364 PolarHBondContact NZ-OE2 2.82Å; L295-E364 HydrophobicContact CD1-CG 3.9Å; V360-E364 VanDerWaalsContact CG1-CA 3.46Å; V360-E364 HydrophobicContact CG1-CB 4.22Å; D361-E364 PolarHBondContact O-N 3.14Å; D361-E364 VanDerWaalsContact O-N 3.08Å; D361-E364 PolarHBondContact OD1-N 2.62Å
365T96.4Very high95.2Very high41 Ų4119 Ų1925%0.25211%0.106SC..  trans-73.1127.3172.4-60.60000108.6L326 V360 D361 E363L326-T365 HydrophobicContact CB-CG2 3.79Å; L326-T365 WeakPolarHBondContact CD1-O 3.36Å; V360-T365 VanDerWaalsContact CA-O 3.31Å; V360-T365 WeakPolarHBondContact CA-O 3.39Å; D361-T365 PolarHBondContact N-O 2.92Å; D361-T365 WeakPolarHBondContact OD1-CB 3.39Å; D361-T365 PolarHBondContact OD1-N 3.46Å; E363-T365 PolarHBondContact O-N 3.03Å
366C96.9Very high94.8Very high26 Ų2623.9 Ų23.918%0.17613%0.132CC..EExtended strand (participates in β ladder)trans-96.3136.8174.7-1650000110.6T280 K283 M359 V360T280-C366 HydrophobicContact CG2-CB 4.26Å; K283-C366 HydrophobicContact CG-CB 4.35Å; M359-C366 WeakPolarHBondContact O-CA 3.48Å; V360-C366 HydrophobicContact CG2-CB 3.95Å
367C97.4Very high94.4Very high4 Ų429.2 Ų29.23%0.02717%0.17CC..EExtended strand (participates in β ladder)trans-137.1146.2173.7-170.30000110.2L326 G358 M359 I369 R408L326-C367 HydrophobicContact CB-CB 4.49Å; L326-C367 HydrophobicContact CD1-CB 3.87Å; L326-C367 HydrophobicContact CD2-CB 4.18Å; L326-C367 HydrophobicContact CG-CB 4.41Å; G358-C367 WeakPolarHBondContact CA-O 3.35Å; M359-C367 PolarHBondContact N-O 3.43Å; M359-C367 PolarHBondContact O-N 2.83Å; C367-I369 HydrophobicContact CB-CD1 4.47Å; C367-I369 WeakPolarHBondContact O-CD1 3.33Å; C367-R408 PolarHBondContact SG-O 3.32Å
368V98.1Very high94.2Very high0 Ų030.1 Ų30.10%017%0.173CC..EExtended strand (participates in β ladder)trans-83.8137176.1173.50000109.9L276 T280 T356 M370 F407 R408 S409 I410L276-V368 HydrophobicContact CD1-CB 4.34Å; L276-V368 HydrophobicContact CD1-CG1 3.68Å; L276-V368 HydrophobicContact CD1-CG2 3.67Å; L276-V368 HydrophobicContact CD2-CG1 4.1Å; L276-V368 HydrophobicContact CD2-CG2 4.26Å; L276-V368 HydrophobicContact CG-CG1 4.32Å; L276-V368 HydrophobicContact CG-CG2 3.91Å; T280-V368 HydrophobicContact CG2-CG2 4.38Å; T280-V368 VanDerWaalsContact OG1-CG2 3.26Å; T280-V368 WeakPolarHBondContact OG1-CG2 3.49Å; T356-V368 HydrophobicContact CG2-CG1 3.61Å; V368-M370 HydrophobicContact CG1-CE 3.84Å; V368-M370 HydrophobicContact CG1-CG 4.07Å; V368-F407 HydrophobicContact CB-CD2 4.32Å; V368-F407 HydrophobicContact CG2-CD2 4.06Å; V368-R408 PolarHBondContact N-O 3.11Å; V368-R408 VanDerWaalsContact N-O 3.12Å; V368-S409 CarbonylContact O-C 3.51Å; V368-S409 WeakPolarHBondContact O-CA 3.21Å; V368-I410 PolarHBondContact O-N 2.95Å
369I98Very high93.9Very high0 Ų031.9 Ų31.90%019%0.191CC..EExtended strand (participates in β ladder)trans-118.4125.8175.3-64.954.6000107.1T356 F357 M359 C367 V371 I388 I410 V412T356-I369 VanDerWaalsContact CA-O 3.28Å; T356-I369 WeakPolarHBondContact CA-O 3.27Å; F357-I369 HydrophobicContact CD1-CB 4.2Å; F357-I369 HydrophobicContact CD1-CG2 4.32Å; F357-I369 HydrophobicContact CD2-CB 4.1Å; F357-I369 HydrophobicContact CD2-CG1 4.39Å; F357-I369 HydrophobicContact CE1-CB 3.83Å; F357-I369 HydrophobicContact CE1-CG2 3.56Å; F357-I369 HydrophobicContact CE2-CB 3.7Å; F357-I369 HydrophobicContact CE2-CD1 4.29Å; F357-I369 HydrophobicContact CE2-CG1 3.76Å; F357-I369 HydrophobicContact CE2-CG2 4.1Å; F357-I369 HydrophobicContact CG-CB 4.34Å; F357-I369 HydrophobicContact CZ-CB 3.56Å; F357-I369 HydrophobicContact CZ-CG1 3.92Å; F357-I369 HydrophobicContact CZ-CG2 3.42Å; F357-I369 VanDerWaalsContact CZ-CG2 3.42Å; F357-I369 PolarHBondContact N-O 3.2Å; F357-I369 PolarHBondContact O-N 3.05Å; M359-I369 HydrophobicContact CB-CD1 4.15Å; M359-I369 HydrophobicContact CE-CD1 3.94Å; M359-I369 HydrophobicContact CE-CG1 4.21Å; M359-I369 HydrophobicContact CG-CD1 3.6Å; M359-I369 HydrophobicContact CG-CG1 4.46Å; M359-I369 HydrophobicContact SD-CD1 3.7Å; M359-I369 HydrophobicContact SD-CG1 3.94Å; C367-I369 HydrophobicContact CB-CD1 4.47Å; C367-I369 WeakPolarHBondContact O-CD1 3.33Å; I369-V371 HydrophobicContact CG2-CG2 3.78Å; I369-I388 HydrophobicContact CB-CD1 4.38Å; I369-I388 HydrophobicContact CG1-CD1 3.48Å; I369-I388 VanDerWaalsContact CG1-CD1 3.48Å; I369-I388 HydrophobicContact CG2-CD1 3.85Å; I369-I410 WeakPolarHBondContact CA-O 3.29Å; I369-I410 HydrophobicContact CG1-CB 4.44Å; I369-V412 HydrophobicContact CG2-CG2 3.95Å
370M96.6Very high93.8Very high1 Ų132.1 Ų32.11%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-112.3111.4177.3-62.8176.4-177.300108.4E240 F242 L276 A354 T356 V368 Y372 F407 I410 V412E240-M370 HydrophobicContact CG-SD 3.98Å; F242-M370 HydrophobicContact CE2-CE 3.92Å; F242-M370 HydrophobicContact CE2-SD 4.36Å; F242-M370 HydrophobicContact CZ-CE 3.82Å; F242-M370 HydrophobicContact CZ-SD 3.93Å; L276-M370 HydrophobicContact CD2-CE 3.87Å; A354-M370 HydrophobicContact CB-CB 4.34Å; T356-M370 HydrophobicContact CG2-CG 4.25Å; V368-M370 HydrophobicContact CG1-CE 3.84Å; V368-M370 HydrophobicContact CG1-CG 4.07Å; M370-Y372 HydrophobicContact CB-CE2 3.86Å; M370-F407 HydrophobicContact CE-CE2 3.67Å; M370-F407 HydrophobicContact CE-CZ 4.14Å; M370-I410 PolarHBondContact N-O 3.43Å; M370-V412 PolarHBondContact O-N 2.85Å
371V95.3Very high93.7Very high0 Ų038.2 Ų38.20%022%0.224CC..EExtended strand (participates in β ladder)trans-105.5119.5-177.5-167.10000109.7A354 F355 F357 I369 T374 W378 V412 P415 L418A354-V371 CarbonylContact C-O 3.56Å; A354-V371 VanDerWaalsContact CA-O 3.26Å; A354-V371 WeakPolarHBondContact CA-O 3.41Å; A354-V371 WeakPolarHBondContact CB-O 3.19Å; F355-V371 PolarHBondContact N-O 3.03Å; F355-V371 PolarHBondContact O-N 2.91Å; F357-V371 HydrophobicContact CD1-CG2 4.35Å; F357-V371 HydrophobicContact CE1-CG2 3.62Å; I369-V371 HydrophobicContact CG2-CG2 3.78Å; V371-T374 HydrophobicContact CB-CG2 3.99Å; V371-T374 HydrophobicContact CG1-CG2 3.65Å; V371-T374 WeakPolarHBondContact O-CG2 3.24Å; V371-W378 HydrophobicContact CB-CH2 4.2Å; V371-W378 HydrophobicContact CB-CZ3 3.99Å; V371-W378 HydrophobicContact CG1-CH2 3.93Å; V371-W378 HydrophobicContact CG1-CZ3 3.91Å; V371-W378 HydrophobicContact CG2-CH2 4.03Å; V371-W378 HydrophobicContact CG2-CZ3 4.22Å; V371-V412 CarbonylContact C-O 3.56Å; V371-V412 WeakPolarHBondContact CA-O 3.4Å; V371-V412 HydrophobicContact CG1-CB 4.37Å; V371-V412 HydrophobicContact CG1-CG1 4.24Å; V371-V412 HydrophobicContact CG2-CB 4.28Å; V371-P415 HydrophobicContact CG1-CB 4.09Å; V371-L418 HydrophobicContact CG1-CD1 4.16Å; V371-L418 HydrophobicContact CG2-CD1 3.83Å
372Y92.1Very high93.8Very high5 Ų542 Ų422%0.0224%0.244CC..  trans-96.8167.2-179-68.2-96.3000111.2Y238 E240 M353 A354 M370 T374 R411 V412 P415Y238-Y372 AromaticContact CD2-CD1 3.97Å; Y238-Y372 HydrophobicContact CD2-CD1 3.97Å; Y238-Y372 AromaticContact CD2-CE1 3.86Å; Y238-Y372 HydrophobicContact CD2-CE1 3.86Å; Y238-Y372 HydrophobicContact CE1-CD1 4.38Å; Y238-Y372 AromaticContact CE2-CD1 3.4Å; Y238-Y372 HydrophobicContact CE2-CD1 3.4Å; Y238-Y372 AromaticContact CE2-CE1 3.78Å; Y238-Y372 HydrophobicContact CE2-CE1 3.78Å; Y238-Y372 HydrophobicContact CE2-CG 4.46Å; Y238-Y372 HydrophobicContact CG-CE1 4.3Å; Y238-Y372 AromaticContact CZ-CD1 3.63Å; Y238-Y372 PolarHBondContact O-OH 2.96Å; E240-Y372 WeakPolarHBondContact CG-OH 3.46Å; E240-Y372 VanDerWaalsContact OE1-CE2 3.27Å; E240-Y372 WeakPolarHBondContact OE1-CE2 3.47Å; E240-Y372 PolarHBondContact OE1-OH 3.48Å; M353-Y372 WeakPolarHBondContact O-CD1 3.45Å; A354-Y372 HydrophobicContact CB-CD1 4.02Å; A354-Y372 HydrophobicContact CB-CD2 4.2Å; A354-Y372 HydrophobicContact CB-CE1 3.86Å; A354-Y372 HydrophobicContact CB-CE2 3.99Å; A354-Y372 HydrophobicContact CB-CG 4.21Å; M370-Y372 HydrophobicContact CB-CE2 3.86Å; Y372-T374 VanDerWaalsContact C-N 3.26Å; Y372-T374 PolarHBondContact O-N 3.3Å; Y372-R411 HydrophobicContact CD2-CG 4.27Å; Y372-R411 HydrophobicContact CE2-CG 4.11Å; Y372-R411 PolarHBondContact OH-NH1 3.18Å; Y372-V412 PolarHBondContact N-O 2.79Å; Y372-P415 VanDerWaalsContact O-CD 3.31Å; Y372-P415 WeakPolarHBondContact O-CD 3.45Å
373N89.9Confident93.8Very high14 Ų1439.3 Ų39.38%0.07523%0.228CC..SBendtrans55.439.2178.4-61.8-48.5000113.2Q200 D413 Q430 T431 A433Q200-N373 PolarHBondContact OE1-OD1 2.93Å; N373-D413 PolarHBondContact ND2-O 2.89Å; N373-Q430 HydrophobicContact CB-CG 4.13Å; N373-Q430 CarbonylContact O-C 3.57Å; N373-Q430 VanDerWaalsContact O-CA 3.24Å; N373-Q430 WeakPolarHBondContact O-CA 3.34Å; N373-Q430 WeakPolarHBondContact O-CG 3.36Å; N373-T431 CarbonylContact C-O 3.54Å; N373-T431 WeakPolarHBondContact CA-O 3.16Å; N373-T431 WeakPolarHBondContact CB-O 3.4Å; N373-T431 PolarHBondContact O-N 3.18Å; N373-T431 VanDerWaalsContact O-O 3.06Å; N373-A433 PolarHBondContact OD1-N 3.25Å
374T90.4Very high93.9Very high19 Ų1935.6 Ų35.612%0.11721%0.212CC..BIsolated β-bridgetrans-90.7135.2-179.256.80000111.2F355 V371 Y372 W378 P415F355-T374 HydrophobicContact CB-CG2 4Å; V371-T374 HydrophobicContact CB-CG2 3.99Å; V371-T374 HydrophobicContact CG1-CG2 3.65Å; V371-T374 WeakPolarHBondContact O-CG2 3.24Å; Y372-T374 VanDerWaalsContact C-N 3.26Å; Y372-T374 PolarHBondContact O-N 3.3Å; T374-W378 HydrophobicContact CG2-CD2 4.32Å; T374-W378 HydrophobicContact CG2-CE3 3.39Å; T374-W378 HydrophobicContact CG2-CZ3 3.6Å; T374-P415 HydrophobicContact CG2-CB 4.41Å; T374-P415 HydrophobicContact CG2-CG 4.23Å
375A88.8Confident94Very high6 Ų632.2 Ų32.25%0.0520%0.197CC..  trans-64.2150.1166.500000110.7S377 W378 Q428 A429 T431A375-S377 PolarHBondContact O-N 2.85Å; A375-S377 VanDerWaalsContact O-N 3.11Å; A375-W378 HydrophobicContact CB-CB 4.48Å; A375-W378 WeakPolarHBondContact O-CB 3.43Å; A375-W378 PolarHBondContact O-N 3.19Å; A375-Q428 WeakPolarHBondContact CB-O 3.33Å; A375-A429 WeakPolarHBondContact CB-O 3.46Å; A375-A429 PolarHBondContact N-O 3.15Å; A375-T431 WeakPolarHBondContact CA-OG1 3.36Å; A375-T431 WeakPolarHBondContact CB-OG1 3.28Å
376D85.5Confident94Very high120 Ų12030.2 Ų30.264%0.64219%0.185SC*.THydrogen-bonded Turntrans-60-27.2-178.4-80.4-36.6000113.9R352 W378R352-D376 IonicContact CZ-OD1 3.34Å; R352-D376 IonicContact NE-OD1 3.99Å; R352-D376 PolarHBondContact NE-OD1 3.25Å; R352-D376 PolarHBondContact NH1-O 2.92Å; R352-D376 IonicContact NH1-OD1 2.76Å; R352-D376 IonicContact NH2-OD1 3.72Å; R352-D376 PolarHBondContact NH2-OD1 3.26Å; D376-W378 VanDerWaalsContact C-N 3.33Å
377S87.1Confident94.1Very high114 Ų11429 Ų2980%0.79718%0.177SC*.THydrogen-bonded Turntrans-81.8-8.2177.957.60000113.9A375A375-S377 PolarHBondContact O-N 2.85Å; A375-S377 VanDerWaalsContact O-N 3.11Å
378W91.9Very high94.1Very high19 Ų1929.1 Ų29.17%0.07218%0.177CC..  trans-92.1146.5-177.2-174.281.5000112.4F355 V371 T374 A375 D376 V380 P415 L418 A429F355-W378 HydrophobicContact CB-CE3 4.38Å; F355-W378 HydrophobicContact CB-CZ3 4.04Å; F355-W378 HydrophobicContact CD1-CE3 4.41Å; F355-W378 HydrophobicContact CD1-CH2 4.44Å; F355-W378 AromaticContact CD1-CZ3 3.68Å; F355-W378 HydrophobicContact CD1-CZ3 3.68Å; F355-W378 HydrophobicContact CE1-CZ3 4.39Å; F355-W378 HydrophobicContact CG-CE3 4.3Å; F355-W378 AromaticContact CG-CZ3 3.94Å; F355-W378 HydrophobicContact CG-CZ3 3.94Å; V371-W378 HydrophobicContact CB-CH2 4.2Å; V371-W378 HydrophobicContact CB-CZ3 3.99Å; V371-W378 HydrophobicContact CG1-CH2 3.93Å; V371-W378 HydrophobicContact CG1-CZ3 3.91Å; V371-W378 HydrophobicContact CG2-CH2 4.03Å; V371-W378 HydrophobicContact CG2-CZ3 4.22Å; T374-W378 HydrophobicContact CG2-CD2 4.32Å; T374-W378 HydrophobicContact CG2-CE3 3.39Å; T374-W378 HydrophobicContact CG2-CZ3 3.6Å; A375-W378 HydrophobicContact CB-CB 4.48Å; A375-W378 WeakPolarHBondContact O-CB 3.43Å; A375-W378 PolarHBondContact O-N 3.19Å; D376-W378 VanDerWaalsContact C-N 3.33Å; W378-V380 HydrophobicContact CH2-CG1 4.28Å; W378-V380 HydrophobicContact CZ2-CG1 4.12Å; W378-P415 HydrophobicContact CD2-CB 3.82Å; W378-P415 HydrophobicContact CE3-CB 4.21Å; W378-P415 HydrophobicContact CG-CB 4.4Å; W378-P415 HydrophobicContact CH2-CB 4.11Å; W378-P415 HydrophobicContact CZ2-CB 3.71Å; W378-P415 HydrophobicContact CZ3-CB 4.34Å; W378-L418 HydrophobicContact CH2-CD1 3.59Å; W378-L418 HydrophobicContact CZ2-CD1 3.74Å; W378-A429 HydrophobicContact CB-CB 4.32Å; W378-A429 HydrophobicContact CG-CB 3.85Å
379G92.8Very high94Very high36 Ų3629.6 Ų29.637%0.37118%0.18SC..  trans178.9175.6172.300000111.4
380V95.5Very high93.9Very high6 Ų630 Ų304%0.03618%0.182CC..  trans-118.6151.9172.7-65.70000110.6V343 F355 F357 W378 V386 V420V343-V380 HydrophobicContact CG1-CG2 4.15Å; V343-V380 HydrophobicContact CG2-CB 4.13Å; V343-V380 HydrophobicContact CG2-CG2 3.77Å; F355-V380 HydrophobicContact CE1-CG2 3.88Å; F357-V380 HydrophobicContact CB-CG2 4.22Å; F357-V380 HydrophobicContact CD1-CG2 3.64Å; F357-V380 HydrophobicContact CD2-CG2 4.07Å; F357-V380 HydrophobicContact CE1-CG2 3.89Å; F357-V380 HydrophobicContact CE2-CG2 4.32Å; F357-V380 HydrophobicContact CG-CG2 3.72Å; F357-V380 HydrophobicContact CZ-CG2 4.23Å; W378-V380 HydrophobicContact CH2-CG1 4.28Å; W378-V380 HydrophobicContact CZ2-CG1 4.12Å; V380-V386 HydrophobicContact CG1-CG2 4.24Å; V380-V420 HydrophobicContact CG1-CG1 4.13Å; V380-V420 HydrophobicContact CG1-CG2 3.78Å
381L96.1Very high93.9Very high127 Ų12730 Ų3067%0.66518%0.182SC*.  trans-100.9151.1-177.8-59.8177.8000111.5V343 G383 D384V343-L381 WeakPolarHBondContact CB-O 3.41Å; L381-G383 PolarHBondContact O-N 2.94Å; L381-D384 PolarHBondContact N-OD2 3.01Å; L381-D384 VanDerWaalsContact O-CB 3.28Å; L381-D384 WeakPolarHBondContact O-CB 3.35Å; L381-D384 PolarHBondContact O-N 3Å
382I96.8Very high94Very high80 Ų8033.2 Ų33.241%0.4120%0.197SC..THydrogen-bonded Turntrans-58.1122.5173.8-63.6174.2000109.7M294M294-I382 HydrophobicContact CE-CG2 3.77Å
383G95.7Very high94.3Very high20 Ų2033.1 Ų33.121%0.20620%0.197CC..THydrogen-bonded Turntrans99-8.9-176.800000115K342 V343 L381K342-G383 WeakPolarHBondContact CD-O 3.35Å; K342-G383 PolarHBondContact NZ-O 3.11Å; V343-G383 PolarHBondContact O-N 2.83Å; L381-G383 PolarHBondContact O-N 2.94Å
384D96.3Very high94.6Very high28 Ų2834.2 Ų34.215%0.1520%0.201CC..  trans-61.2142.9171.5-76.5-19.3000110.8K342 V343 L381 V420 N421K342-D384 WeakPolarHBondContact CA-O 2.99Å; K342-D384 WeakPolarHBondContact CD-O 3.46Å; V343-D384 HydrophobicContact CG2-CB 4.12Å; V343-D384 PolarHBondContact N-O 3.19Å; L381-D384 PolarHBondContact N-OD2 3.01Å; L381-D384 VanDerWaalsContact O-CB 3.28Å; L381-D384 WeakPolarHBondContact O-CB 3.35Å; L381-D384 PolarHBondContact O-N 3Å; D384-V420 HydrophobicContact CB-CG1 4.08Å; D384-N421 VanDerWaalsContact CG-ND2 3.35Å; D384-N421 PolarHBondContact OD1-ND2 3.06Å
385S96.6Very high94.9Very high10 Ų1041.3 Ų41.37%0.0723%0.226CC..EExtended strand (participates in β ladder)trans-83.8123.2166.8-65.10000109.1G341 K342 V420 N421G341-S385 WeakPolarHBondContact O-CA 3.43Å; K342-S385 VanDerWaalsContact CE-OG 3.29Å; K342-S385 WeakPolarHBondContact CE-OG 3.28Å; K342-S385 PolarHBondContact NZ-OG 2.87Å; S385-V420 CarbonylContact O-C 3.58Å; S385-V420 WeakPolarHBondContact O-CA 3.39Å; S385-N421 PolarHBondContact N-OD1 2.86Å; S385-N421 PolarHBondContact O-N 3.14Å
386V97.3Very high95.3Very high0 Ų041.5 Ų41.50%023%0.226CC..EExtended strand (participates in β ladder)trans-117.4135176.5-178.80000109.5L340 G341 V343 F357 M359 V380 I388 L418 I419 V420L340-V386 WeakPolarHBondContact CA-O 3.47Å; G341-V386 PolarHBondContact N-O 3.41Å; G341-V386 PolarHBondContact O-N 2.88Å; V343-V386 HydrophobicContact CG2-CG2 3.57Å; F357-V386 HydrophobicContact CE2-CB 4.43Å; F357-V386 HydrophobicContact CE2-CG1 4.35Å; F357-V386 HydrophobicContact CE2-CG2 4.22Å; F357-V386 HydrophobicContact CZ-CG1 4.03Å; F357-V386 HydrophobicContact CZ-CG2 4.35Å; M359-V386 HydrophobicContact SD-CB 4.44Å; V380-V386 HydrophobicContact CG1-CG2 4.24Å; V386-I388 HydrophobicContact CG1-CG1 4.26Å; V386-L418 HydrophobicContact CG1-CD2 4.14Å; V386-I419 WeakPolarHBondContact CA-O 3.21Å; V386-V420 HydrophobicContact CG2-CG2 4.37Å
387V97.2Very high95.9Very high1 Ų140.6 Ų40.61%0.00623%0.229CC..EExtended strand (participates in β ladder)trans-116.9132.7171.3179.20000109.2A302 L303 A338 A339 L340 I419A302-V387 WeakPolarHBondContact O-CG2 3.44Å; L303-V387 HydrophobicContact CD2-CG1 4.12Å; L303-V387 HydrophobicContact CD2-CG2 4.44Å; A338-V387 HydrophobicContact CB-CG1 3.86Å; A339-V387 CarbonylContact O-C 3.36Å; A339-V387 VanDerWaalsContact O-CA 3.24Å; A339-V387 WeakPolarHBondContact O-CA 3.31Å; L340-V387 HydrophobicContact CB-CG2 4.38Å; L340-V387 HydrophobicContact CD1-CG2 3.42Å; L340-V387 VanDerWaalsContact CD1-CG2 3.42Å; L340-V387 HydrophobicContact CG-CG2 4.44Å; V387-I419 HydrophobicContact CB-CB 4.12Å; V387-I419 PolarHBondContact N-O 3.19Å; V387-I419 PolarHBondContact O-N 3.26Å; V387-I419 VanDerWaalsContact O-N 3.12Å
388I97.5Very high96.4Very high5 Ų535.6 Ų35.63%0.02619%0.194CC..EExtended strand (participates in β ladder)trans-116.1104.5176.5-46.7-177.5000108.1A338 A339 M359 I369 V386 P391 I410 V412 L418A338-I388 WeakPolarHBondContact CA-O 3.45Å; A339-I388 HydrophobicContact CB-CB 4.29Å; A339-I388 PolarHBondContact N-O 3.28Å; A339-I388 PolarHBondContact O-N 2.84Å; M359-I388 HydrophobicContact CE-CD1 3.79Å; M359-I388 HydrophobicContact CE-CG1 4.23Å; M359-I388 HydrophobicContact SD-CD1 4.27Å; I369-I388 HydrophobicContact CB-CD1 4.38Å; I369-I388 HydrophobicContact CG1-CD1 3.48Å; I369-I388 VanDerWaalsContact CG1-CD1 3.48Å; I369-I388 HydrophobicContact CG2-CD1 3.85Å; V386-I388 HydrophobicContact CG1-CG1 4.26Å; I388-P391 HydrophobicContact CB-CB 4.48Å; I388-P391 HydrophobicContact CG2-CB 4.12Å; I388-I410 HydrophobicContact CD1-CB 4.25Å; I388-I410 HydrophobicContact CD1-CD1 4.14Å; I388-I410 HydrophobicContact CD1-CG2 3.85Å; I388-I410 HydrophobicContact CG2-CG2 3.98Å; I388-V412 HydrophobicContact CD1-CG2 4.19Å; I388-V412 HydrophobicContact CG2-CG2 3.91Å; I388-L418 HydrophobicContact CB-CD2 4.44Å; I388-L418 HydrophobicContact CD1-CD2 4.35Å; I388-L418 HydrophobicContact CG1-CD2 3.76Å; I388-L418 HydrophobicContact CG2-CD2 4.39Å
389P96.3Very high96.6Very high11 Ų1138.3 Ų38.37%0.07122%0.22CC..EExtended strand (participates in β ladder)trans-63.1133.9172.4-19.733.3000110.7F311 L321 L417F311-P389 HydrophobicContact CE1-CB 4.31Å; F311-P389 HydrophobicContact CZ-CB 4.08Å; F311-P389 HydrophobicContact CZ-CG 4.04Å; L321-P389 HydrophobicContact CD1-CB 3.6Å; L321-P389 HydrophobicContact CD1-CG 4.49Å; P389-L417 WeakPolarHBondContact CD-O 3.2Å; P389-L417 WeakPolarHBondContact CG-O 3.37Å
390E96.2Very high96.8Very high8 Ų837.7 Ų37.74%0.03721%0.207CC..SBendtrans45.358.9173.3-54.3-171.9131.600114S313 A315 L321 H333 N334 T335 G336 V337S313-E390 WeakPolarHBondContact CB-OE2 3.41Å; S313-E390 PolarHBondContact OG-OE2 3.44Å; A315-E390 WeakPolarHBondContact CB-OE2 3.32Å; L321-E390 HydrophobicContact CD1-CG 4.48Å; L321-E390 HydrophobicContact CD2-CG 4.18Å; H333-E390 PolarHBondContact CE1-O 2.84Å; H333-E390 VanDerWaalsContact CE1-O 3.32Å; H333-E390 PolarHBondContact ND1-O 3.24Å; N334-E390 WeakPolarHBondContact O-CA 3.49Å; T335-E390 WeakPolarHBondContact CG2-OE1 3.46Å; G336-E390 PolarHBondContact N-OE1 3.01Å; V337-E390 WeakPolarHBondContact O-CA 3.02Å; V337-E390 PolarHBondContact O-N 2.94Å
391P97.3Very high96.7Very high1 Ų144.1 Ų44.11%0.00624%0.235CC..  trans-63.3138.4-165.827.2-36000112.6L329 N334 A339 I388 I410L329-P391 HydrophobicContact CD1-CB 4.4Å; L329-P391 HydrophobicContact CD1-CG 3.8Å; L329-P391 HydrophobicContact CD2-CG 3.81Å; L329-P391 HydrophobicContact CG-CG 4.44Å; N334-P391 HydrophobicContact CB-CG 4.03Å; N334-P391 PolarHBondContact N-O 3.12Å; N334-P391 VanDerWaalsContact N-O 3.1Å; N334-P391 PolarHBondContact ND2-O 2.58Å; A339-P391 HydrophobicContact CB-CB 4.39Å; A339-P391 HydrophobicContact CB-CG 4.12Å; I388-P391 HydrophobicContact CB-CB 4.48Å; I388-P391 HydrophobicContact CG2-CB 4.12Å; P391-I410 HydrophobicContact CB-CD1 4.04Å; P391-I410 HydrophobicContact CB-CG1 4.28Å; P391-I410 HydrophobicContact CB-CG2 3.67Å
392Q96.9Very high96.6Very high68 Ų6846.1 Ų46.132%0.31825%0.246SC..EExtended strand (participates in β ladder)trans-9298172.6-17966.55.400109.9G332 H333 I410 R411G332-Q392 WeakPolarHBondContact O-CA 3.38Å; G332-Q392 PolarHBondContact O-OE1 3.17Å; H333-Q392 VanDerWaalsContact CB-OE1 3.25Å; Q392-I410 CarbonylContact O-C 3.6Å; Q392-I410 VanDerWaalsContact O-CA 3.32Å; Q392-I410 WeakPolarHBondContact O-CA 3.07Å; Q392-R411 HydrophobicContact CB-CB 4.38Å; Q392-R411 HydrophobicContact CG-CB 4.28Å; Q392-R411 PolarHBondContact O-N 3.27Å
393V98.1Very high96.5Very high2 Ų246 Ų461%0.01224%0.244CC..EExtended strand (participates in β ladder)trans-89.4133.4-175.5178.30000111L329 T330 H331 G332 S409 I410L329-V393 HydrophobicContact CB-CG2 3.78Å; L329-V393 HydrophobicContact CD1-CG2 4Å; T330-V393 WeakPolarHBondContact O-CB 3.1Å; H331-V393 PolarHBondContact ND1-O 3.29Å; G332-V393 PolarHBondContact N-O 3.3Å; G332-V393 PolarHBondContact O-N 2.78Å; V393-S409 CarbonylContact C-O 3.42Å; V393-S409 WeakPolarHBondContact CA-O 3.14Å; V393-I410 HydrophobicContact CG2-CG1 4.05Å
394K97.4Very high96.6Very high37 Ų3750.7 Ų50.716%0.16127%0.268CS..EExtended strand (participates in β ladder)trans-118.4148.3167.1-64.1-162.9-163.4152.80111.1E239 E240 R408 S409E239-K394 PolarHBondContact O-NZ 2.94Å; E240-K394 HydrophobicContact CB-CD 4.46Å; E240-K394 VanDerWaalsContact CD-NZ 3.3Å; E240-K394 IonicContact OE1-NZ 2.66Å; E240-K394 WeakPolarHBondContact OE2-CD 3.48Å; E240-K394 VanDerWaalsContact OE2-CE 3.26Å; E240-K394 WeakPolarHBondContact OE2-CE 3.34Å; E240-K394 IonicContact OE2-NZ 3.56Å; E240-K394 PolarHBondContact OE2-NZ 3.12Å; K394-R408 WeakPolarHBondContact O-CA 3.42Å; K394-S409 PolarHBondContact N-O 2.95Å; K394-S409 PolarHBondContact O-N 2.93Å
395R96.1Very high96.6Very high168 Ų16849.7 Ų49.763%0.63426%0.263SS*.EExtended strand (participates in β ladder)trans-108.5128.2168.9-177.5177.7-178.1-174.3-2.4107.2D406R395-D406 IonicContact NH2-OD2 3.85Å; R395-D406 PolarHBondContact NH2-OD2 2.8Å
396H97.4Very high96.7Very high11 Ų1153.4 Ų53.45%0.05128%0.282CS..EExtended strand (participates in β ladder)trans-109.5127.3-179.8-60.7-76.3000108.4F242 V398 D406 F407 S409F242-H396 AromaticContact CD2-ND1 3.79Å; F242-H396 AromaticContact CE2-CE1 3.82Å; F242-H396 AromaticContact CE2-ND1 3.88Å; H396-V398 HydrophobicContact CB-CG2 4.44Å; H396-D406 WeakPolarHBondContact O-CA 3.45Å; H396-F407 HydrophobicContact CB-CD1 3.93Å; H396-F407 HydrophobicContact CB-CD2 4.31Å; H396-F407 HydrophobicContact CB-CE1 3.61Å; H396-F407 HydrophobicContact CB-CE2 4.01Å; H396-F407 HydrophobicContact CB-CG 4.26Å; H396-F407 HydrophobicContact CB-CZ 3.66Å; H396-F407 AromaticContact CD2-CD2 3.71Å; H396-F407 AromaticContact CD2-CE2 3.23Å; H396-F407 WeakPolarHBondContact CD2-CE2 3.47Å; H396-F407 AromaticContact CD2-CZ 3.65Å; H396-F407 AromaticContact CG-CE2 3.68Å; H396-F407 AromaticContact CG-CZ 3.58Å; H396-F407 PolarHBondContact N-O 2.86Å; H396-F407 AromaticContact NE2-CE2 3.97Å; H396-F407 PolarHBondContact O-N 3.01Å; H396-F407 VanDerWaalsContact O-N 3.16Å; H396-S409 PolarHBondContact NE2-OG 3.14Å
397S96.8Very high96.6Very high101 Ų10153.8 Ų53.871%0.70628%0.283SS*.EExtended strand (participates in β ladder)trans-133.4101167.5-174.10000105.5F405S397-F405 WeakPolarHBondContact CA-O 3.32Å
398V97.6Very high96.6Very high9 Ų957.3 Ų57.36%0.05530%0.297CS..EExtended strand (participates in β ladder)trans-115.9126.2-171.3-177.20000107.6F242 L246 L273 H396 T404 F405F242-V398 HydrophobicContact CB-CG1 4.43Å; F242-V398 HydrophobicContact CB-CG2 3.97Å; L246-V398 HydrophobicContact CD1-CG1 4.06Å; L273-V398 HydrophobicContact CD1-CG1 4.43Å; H396-V398 HydrophobicContact CB-CG2 4.44Å; V398-T404 CarbonylContact O-C 3.05Å; V398-T404 VanDerWaalsContact O-CA 3.27Å; V398-T404 WeakPolarHBondContact O-CA 3.4Å; V398-F405 HydrophobicContact CB-CB 4.3Å; V398-F405 HydrophobicContact CB-CD2 4.23Å; V398-F405 HydrophobicContact CG1-CD2 4.23Å; V398-F405 PolarHBondContact N-O 2.89Å; V398-F405 PolarHBondContact O-N 2.89Å
399A96.6Very high96.7Very high75 Ų7557.1 Ų57.162%0.6230%0.295SS*.EExtended strand (participates in β ladder)trans-122126.9170.800000107.9T404A399-T404 HydrophobicContact CB-CG2 4.23Å
400H97.3Very high96.8Very high23 Ų2356.6 Ų56.611%0.10629%0.292CS..EExtended strand (participates in β ladder)trans-150.5127.4177.2-172.568.3000109.4L246 E266 M270 D402 Q403L246-H400 HydrophobicContact CB-CB 4.23Å; L246-H400 HydrophobicContact CD1-CB 3.65Å; E266-H400 IonicContact OE1-CD2 3.17Å; E266-H400 IonicContact OE1-CE1 2.73Å; E266-H400 IonicContact OE1-NE2 3.6Å; E266-H400 PolarHBondContact OE1-NE2 3.17Å; M270-H400 HydrophobicContact SD-CB 4.26Å; H400-D402 PolarHBondContact O-N 2.91Å; H400-Q403 PolarHBondContact N-O 2.89Å; H400-Q403 VanDerWaalsContact N-O 3.08Å; H400-Q403 PolarHBondContact O-N 2.77Å
401K93.1Very high96.8Very high142 Ų14257.3 Ų57.362%0.61730%0.295SS*.THydrogen-bonded Turntrans51.7-127.4-167.7-62.9169.6168.4164.10109.5E266E266-K401 WeakPolarHBondContact OE1-CE 3Å; E266-K401 IonicContact OE1-NZ 2.86Å; E266-K401 PolarHBondContact OE1-NZ 2.97Å; E266-K401 IonicContact OE2-NZ 2.8Å
402D93.3Very high96.7Very high168 Ų16857.5 Ų57.590%0.89830%0.296SS*.THydrogen-bonded Turntrans-99.116.2-177.9-56.2-53.4000113.7H400H400-D402 PolarHBondContact O-N 2.91Å
403Q95.7Very high96.5Very high79 Ų7958.1 Ų58.137%0.36930%0.301SS..EExtended strand (participates in β ladder)trans-118.1146.3-179.7-56.8-172.823.700111.9M270 H400 F405M270-Q403 HydrophobicContact CE-CB 3.89Å; M270-Q403 VanDerWaalsContact CE-CD 3.45Å; M270-Q403 HydrophobicContact CE-CG 3.93Å; H400-Q403 PolarHBondContact N-O 2.89Å; H400-Q403 VanDerWaalsContact N-O 3.08Å; H400-Q403 PolarHBondContact O-N 2.77Å; Q403-F405 HydrophobicContact CB-CE2 4.08Å; Q403-F405 HydrophobicContact CB-CZ 3.9Å; Q403-F405 VanDerWaalsContact OE1-CZ 3.29Å
404T97.2Very high96.2Very high117 Ų11758.5 Ų58.572%0.71830%0.304SS*.EExtended strand (participates in β ladder)trans-129.1136.4177.359.30000110.9V398 A399V398-T404 CarbonylContact O-C 3.05Å; V398-T404 VanDerWaalsContact O-CA 3.27Å; V398-T404 WeakPolarHBondContact O-CA 3.4Å; A399-T404 HydrophobicContact CB-CG2 4.23Å
405F97.7Very high96.1Very high7 Ų756.8 Ų56.83%0.03130%0.296CS..EExtended strand (participates in β ladder)trans-125.5118.9178.9-48.1-81.8000109.4M270 L273 E274 T277 S397 V398 Q403 F407M270-F405 HydrophobicContact CE-CE2 4.11Å; M270-F405 HydrophobicContact CE-CZ 4.01Å; M270-F405 HydrophobicContact SD-CE2 3.85Å; M270-F405 HydrophobicContact SD-CZ 4.11Å; L273-F405 HydrophobicContact CB-CD1 3.77Å; L273-F405 HydrophobicContact CB-CD2 4.04Å; L273-F405 HydrophobicContact CB-CE1 3.85Å; L273-F405 HydrophobicContact CB-CE2 4.11Å; L273-F405 HydrophobicContact CB-CG 3.87Å; L273-F405 HydrophobicContact CB-CZ 4Å; L273-F405 HydrophobicContact CD1-CD2 3.94Å; L273-F405 HydrophobicContact CD1-CE2 4.11Å; L273-F405 HydrophobicContact CD1-CG 4.44Å; E274-F405 HydrophobicContact CB-CE1 3.99Å; T277-F405 HydrophobicContact CG2-CB 3.87Å; T277-F405 HydrophobicContact CG2-CD1 4.02Å; T277-F405 HydrophobicContact CG2-CG 4.44Å; S397-F405 WeakPolarHBondContact CA-O 3.32Å; V398-F405 HydrophobicContact CB-CB 4.3Å; V398-F405 HydrophobicContact CB-CD2 4.23Å; V398-F405 HydrophobicContact CG1-CD2 4.23Å; V398-F405 PolarHBondContact N-O 2.89Å; V398-F405 PolarHBondContact O-N 2.89Å; Q403-F405 HydrophobicContact CB-CE2 4.08Å; Q403-F405 HydrophobicContact CB-CZ 3.9Å; Q403-F405 VanDerWaalsContact OE1-CZ 3.29Å; F405-F407 HydrophobicContact CB-CE1 4.49Å
406D96.9Very high96Very high88 Ų8851.5 Ų51.547%0.47128%0.281SS..EExtended strand (participates in β ladder)trans-119.3123.3171.9-167.6-43.6000109.5R395 H396R395-D406 IonicContact NH2-OD2 3.85Å; R395-D406 PolarHBondContact NH2-OD2 2.8Å; H396-D406 WeakPolarHBondContact O-CA 3.45Å
407F96.8Very high95.8Very high9 Ų953.8 Ų53.84%0.03929%0.293CS..EExtended strand (participates in β ladder)trans-159.2161.9175.362.7-81.5000111.8F242 L273 L276 T277 V368 M370 H396 F405F242-F407 HydrophobicContact CD2-CZ 4.15Å; F242-F407 AromaticContact CE2-CZ 3.92Å; F242-F407 HydrophobicContact CE2-CZ 3.92Å; L273-F407 HydrophobicContact CD2-CE1 3.99Å; L273-F407 HydrophobicContact CD2-CZ 4.06Å; L276-F407 HydrophobicContact CD2-CD2 4.19Å; L276-F407 HydrophobicContact CD2-CE1 4.33Å; L276-F407 HydrophobicContact CD2-CE2 3.73Å; L276-F407 HydrophobicContact CD2-CZ 3.81Å; T277-F407 HydrophobicContact CG2-CD1 3.87Å; V368-F407 HydrophobicContact CB-CD2 4.32Å; V368-F407 HydrophobicContact CG2-CD2 4.06Å; M370-F407 HydrophobicContact CE-CE2 3.67Å; M370-F407 HydrophobicContact CE-CZ 4.14Å; H396-F407 HydrophobicContact CB-CD1 3.93Å; H396-F407 HydrophobicContact CB-CD2 4.31Å; H396-F407 HydrophobicContact CB-CE1 3.61Å; H396-F407 HydrophobicContact CB-CE2 4.01Å; H396-F407 HydrophobicContact CB-CG 4.26Å; H396-F407 HydrophobicContact CB-CZ 3.66Å; H396-F407 AromaticContact CD2-CD2 3.71Å; H396-F407 AromaticContact CD2-CE2 3.23Å; H396-F407 WeakPolarHBondContact CD2-CE2 3.47Å; H396-F407 AromaticContact CD2-CZ 3.65Å; H396-F407 AromaticContact CG-CE2 3.68Å; H396-F407 AromaticContact CG-CZ 3.58Å; H396-F407 PolarHBondContact N-O 2.86Å; H396-F407 AromaticContact NE2-CE2 3.97Å; H396-F407 PolarHBondContact O-N 3.01Å; H396-F407 VanDerWaalsContact O-N 3.16Å; F405-F407 HydrophobicContact CB-CE1 4.49Å
408R97.2Very high95.8Very high75 Ų7549 Ų4928%0.28326%0.259SS..EExtended strand (participates in β ladder)trans-103.4134.8169.6-71.5177.862.3-177-5.8109.9L326 S327 L329 C367 V368 K394L326-R408 PolarHBondContact O-NH1 3.43Å; L326-R408 PolarHBondContact O-NH2 3.2Å; S327-R408 PolarHBondContact O-NH1 3.15Å; L329-R408 PolarHBondContact O-NH2 2.91Å; C367-R408 PolarHBondContact SG-O 3.32Å; V368-R408 PolarHBondContact N-O 3.11Å; V368-R408 VanDerWaalsContact N-O 3.12Å; K394-R408 WeakPolarHBondContact O-CA 3.42Å
409S98Very high95.7Very high0 Ų048.7 Ų48.70%026%0.258CS..EExtended strand (participates in β ladder)trans-121.1158.3171.676.60000112.9V368 V393 K394 H396V368-S409 CarbonylContact O-C 3.51Å; V368-S409 WeakPolarHBondContact O-CA 3.21Å; V393-S409 CarbonylContact C-O 3.42Å; V393-S409 WeakPolarHBondContact CA-O 3.14Å; K394-S409 PolarHBondContact N-O 2.95Å; K394-S409 PolarHBondContact O-N 2.93Å; H396-S409 PolarHBondContact NE2-OG 3.14Å
410I98.4Very high95.6Very high1 Ų145.9 Ų45.91%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-113120.2163.6-62.6168.9000107.5L326 L329 A339 M359 V368 I369 M370 I388 P391 Q392 V393 V412L326-I410 HydrophobicContact CD2-CD1 3.89Å; L329-I410 HydrophobicContact CD1-CD1 4.08Å; A339-I410 HydrophobicContact CB-CD1 4.14Å; M359-I410 HydrophobicContact CE-CD1 4.07Å; V368-I410 PolarHBondContact O-N 2.95Å; I369-I410 WeakPolarHBondContact CA-O 3.29Å; I369-I410 HydrophobicContact CG1-CB 4.44Å; M370-I410 PolarHBondContact N-O 3.43Å; I388-I410 HydrophobicContact CD1-CB 4.25Å; I388-I410 HydrophobicContact CD1-CD1 4.14Å; I388-I410 HydrophobicContact CD1-CG2 3.85Å; I388-I410 HydrophobicContact CG2-CG2 3.98Å; P391-I410 HydrophobicContact CB-CD1 4.04Å; P391-I410 HydrophobicContact CB-CG1 4.28Å; P391-I410 HydrophobicContact CB-CG2 3.67Å; Q392-I410 CarbonylContact O-C 3.6Å; Q392-I410 VanDerWaalsContact O-CA 3.32Å; Q392-I410 WeakPolarHBondContact O-CA 3.07Å; V393-I410 HydrophobicContact CG2-CG1 4.05Å; I410-V412 HydrophobicContact CG2-CG2 4.19Å
411R96.6Very high95.5Very high23 Ų2348.7 Ų48.79%0.08725%0.248CC..EExtended strand (participates in β ladder)trans-81.8134.6173.6179.5177-179.494.61110.1Y238 E240 Y372 Q392 D413Y238-R411 PolarHBondContact O-NH1 3.38Å; E240-R411 WeakPolarHBondContact OE1-CB 3.44Å; E240-R411 WeakPolarHBondContact OE1-CD 3.38Å; E240-R411 WeakPolarHBondContact OE1-CG 3.46Å; E240-R411 IonicContact OE1-CZ 3.13Å; E240-R411 IonicContact OE1-NE 3.32Å; E240-R411 IonicContact OE1-NH1 3.25Å; E240-R411 PolarHBondContact OE1-NH1 2.85Å; Y372-R411 HydrophobicContact CD2-CG 4.27Å; Y372-R411 HydrophobicContact CE2-CG 4.11Å; Y372-R411 PolarHBondContact OH-NH1 3.18Å; Q392-R411 HydrophobicContact CB-CB 4.38Å; Q392-R411 HydrophobicContact CG-CB 4.28Å; Q392-R411 PolarHBondContact O-N 3.27Å; R411-D413 IonicContact CZ-OD1 3.64Å; R411-D413 IonicContact NE-OD1 3.44Å; R411-D413 PolarHBondContact NE-OD1 3.41Å; R411-D413 IonicContact NH2-OD1 3.26Å; R411-D413 PolarHBondContact NH2-OD1 2.79Å; R411-D413 VanDerWaalsContact NH2-OD1 3.1Å
412V95.8Very high95.4Very high5 Ų543.1 Ų43.13%0.0323%0.231CC..EExtended strand (participates in β ladder)trans-132.4108.8176-176.20000108.9I369 M370 V371 Y372 I388 I410 S414 L417 L418I369-V412 HydrophobicContact CG2-CG2 3.95Å; M370-V412 PolarHBondContact O-N 2.85Å; V371-V412 CarbonylContact C-O 3.56Å; V371-V412 WeakPolarHBondContact CA-O 3.4Å; V371-V412 HydrophobicContact CG1-CB 4.37Å; V371-V412 HydrophobicContact CG1-CG1 4.24Å; V371-V412 HydrophobicContact CG2-CB 4.28Å; Y372-V412 PolarHBondContact N-O 2.79Å; I388-V412 HydrophobicContact CD1-CG2 4.19Å; I388-V412 HydrophobicContact CG2-CG2 3.91Å; I410-V412 HydrophobicContact CG2-CG2 4.19Å; V412-S414 VanDerWaalsContact CG1-O 3.27Å; V412-S414 WeakPolarHBondContact CG1-O 3.43Å; V412-S414 PolarHBondContact O-N 3.06Å; V412-L417 HydrophobicContact CG1-CB 4.12Å; V412-L417 HydrophobicContact CG1-CD1 4.39Å; V412-L418 HydrophobicContact CG1-CD2 3.91Å; V412-L418 HydrophobicContact CG1-CG 4.03Å; V412-L418 HydrophobicContact CG2-CD2 4.12Å
413D92.5Very high95.3Very high80 Ų8042.7 Ų42.743%0.42822%0.221SC..SBendtrans-71.3-16-172.1-65.5-47.8000114.4N373 R411N373-D413 PolarHBondContact ND2-O 2.89Å; R411-D413 IonicContact CZ-OD1 3.64Å; R411-D413 IonicContact NE-OD1 3.44Å; R411-D413 PolarHBondContact NE-OD1 3.41Å; R411-D413 IonicContact NH2-OD1 3.26Å; R411-D413 PolarHBondContact NH2-OD1 2.79Å; R411-D413 VanDerWaalsContact NH2-OD1 3.1Å
414S92.7Very high95.1Very high11 Ų1145.9 Ų45.98%0.07723%0.23CC..  trans-152.7141.2177.1162.50000111.4V412 L416 L417 Q430V412-S414 VanDerWaalsContact CG1-O 3.27Å; V412-S414 WeakPolarHBondContact CG1-O 3.43Å; V412-S414 PolarHBondContact O-N 3.06Å; S414-L416 PolarHBondContact O-N 2.87Å; S414-L416 VanDerWaalsContact O-N 3.14Å; S414-L416 WeakPolarHBondContact OG-CB 3.42Å; S414-L416 WeakPolarHBondContact OG-CG 3.15Å; S414-L416 PolarHBondContact OG-N 3.18Å; S414-L417 WeakPolarHBondContact O-CB 3.32Å; S414-L417 WeakPolarHBondContact O-CG 3.41Å; S414-L417 PolarHBondContact O-N 3.29Å; S414-L417 VanDerWaalsContact O-N 3.11Å; S414-Q430 PolarHBondContact OG-OE1 2.97Å
415P94.3Very high95Very high0 Ų042.3 Ų42.30%021%0.205CC..G310 helixtrans-61-22.6173.425.9-34000112.5V371 Y372 T374 W378 L417 L418 Q425 A429 Q430V371-P415 HydrophobicContact CG1-CB 4.09Å; Y372-P415 VanDerWaalsContact O-CD 3.31Å; Y372-P415 WeakPolarHBondContact O-CD 3.45Å; T374-P415 HydrophobicContact CG2-CB 4.41Å; T374-P415 HydrophobicContact CG2-CG 4.23Å; W378-P415 HydrophobicContact CD2-CB 3.82Å; W378-P415 HydrophobicContact CE3-CB 4.21Å; W378-P415 HydrophobicContact CG-CB 4.4Å; W378-P415 HydrophobicContact CH2-CB 4.11Å; W378-P415 HydrophobicContact CZ2-CB 3.71Å; W378-P415 HydrophobicContact CZ3-CB 4.34Å; P415-L417 PolarHBondContact O-N 3.25Å; P415-L417 VanDerWaalsContact O-N 3.14Å; P415-L418 WeakPolarHBondContact O-CB 3.38Å; P415-L418 PolarHBondContact O-N 3.24Å; P415-Q425 WeakPolarHBondContact O-CB 3Å; P415-Q425 WeakPolarHBondContact O-CG 3.36Å; P415-A429 HydrophobicContact CB-CB 4.2Å; P415-A429 HydrophobicContact CG-CB 3.99Å; P415-A429 VanDerWaalsContact CG-O 3.27Å; P415-A429 WeakPolarHBondContact CG-O 3.32Å; P415-Q430 HydrophobicContact CG-CB 4.26Å
416L94.1Very high94.6Very high58 Ų5846.1 Ų46.130%0.30423%0.226SC..G310 helixtrans-62.9-20177.4-55.2-173000113.4S414 L418 Q425 N426 Q430S414-L416 PolarHBondContact O-N 2.87Å; S414-L416 VanDerWaalsContact O-N 3.14Å; S414-L416 WeakPolarHBondContact OG-CB 3.42Å; S414-L416 WeakPolarHBondContact OG-CG 3.15Å; S414-L416 PolarHBondContact OG-N 3.18Å; L416-L418 VanDerWaalsContact C-N 3.27Å; L416-Q425 HydrophobicContact CD2-CB 4.28Å; L416-N426 WeakPolarHBondContact CD2-O 3.28Å; L416-Q430 HydrophobicContact CD1-CB 4.4Å; L416-Q430 HydrophobicContact CG-CB 4.24Å
417L94.4Very high94.3Very high58 Ų5847.5 Ų47.530%0.30424%0.237SC..G310 helixtrans-79.3-14.1177.9-50.3179.9000112P314 P389 V412 S414 P415P314-L417 HydrophobicContact CB-CD2 3.9Å; P314-L417 HydrophobicContact CG-CD2 3.69Å; P389-L417 WeakPolarHBondContact CD-O 3.2Å; P389-L417 WeakPolarHBondContact CG-O 3.37Å; V412-L417 HydrophobicContact CG1-CB 4.12Å; V412-L417 HydrophobicContact CG1-CD1 4.39Å; S414-L417 WeakPolarHBondContact O-CB 3.32Å; S414-L417 WeakPolarHBondContact O-CG 3.41Å; S414-L417 PolarHBondContact O-N 3.29Å; S414-L417 VanDerWaalsContact O-N 3.11Å; P415-L417 PolarHBondContact O-N 3.25Å; P415-L417 VanDerWaalsContact O-N 3.14Å
418L95.9Very high94Very high0 Ų054.6 Ų54.60%027%0.27CS..  trans-87.6147.9-178.7-60.8178.3000112.4V371 W378 V386 I388 V412 P415 L416 V420 Q425V371-L418 HydrophobicContact CG1-CD1 4.16Å; V371-L418 HydrophobicContact CG2-CD1 3.83Å; W378-L418 HydrophobicContact CH2-CD1 3.59Å; W378-L418 HydrophobicContact CZ2-CD1 3.74Å; V386-L418 HydrophobicContact CG1-CD2 4.14Å; I388-L418 HydrophobicContact CB-CD2 4.44Å; I388-L418 HydrophobicContact CD1-CD2 4.35Å; I388-L418 HydrophobicContact CG1-CD2 3.76Å; I388-L418 HydrophobicContact CG2-CD2 4.39Å; V412-L418 HydrophobicContact CG1-CD2 3.91Å; V412-L418 HydrophobicContact CG1-CG 4.03Å; V412-L418 HydrophobicContact CG2-CD2 4.12Å; P415-L418 WeakPolarHBondContact O-CB 3.38Å; P415-L418 PolarHBondContact O-N 3.24Å; L416-L418 VanDerWaalsContact C-N 3.27Å; L418-V420 HydrophobicContact CB-CG2 4.4Å; L418-Q425 HydrophobicContact CB-CG 4.29Å
419I95.2Very high93.5Very high4 Ų451.1 Ų51.12%0.02126%0.258CS..EExtended strand (participates in β ladder)trans-113.7119.1164.4-63.1157.8000107.3P305 C306 V386 V387 G422 K423 R424P305-I419 HydrophobicContact CB-CD1 4.39Å; P305-I419 HydrophobicContact CG-CD1 4.37Å; C306-I419 HydrophobicContact CB-CD1 4.34Å; C306-I419 WeakPolarHBondContact SG-CD1 3.45Å; V386-I419 WeakPolarHBondContact CA-O 3.21Å; V387-I419 HydrophobicContact CB-CB 4.12Å; V387-I419 PolarHBondContact N-O 3.19Å; V387-I419 PolarHBondContact O-N 3.26Å; V387-I419 VanDerWaalsContact O-N 3.12Å; I419-G422 VanDerWaalsContact CG2-C 3.44Å; I419-K423 CarbonylContact C-O 3.57Å; I419-K423 VanDerWaalsContact CA-O 3.32Å; I419-K423 WeakPolarHBondContact CA-O 3.44Å; I419-R424 HydrophobicContact CG1-CG 4.48Å
420V95.4Very high93Very high15 Ų1554.7 Ų54.79%0.09128%0.275CS..EExtended strand (participates in β ladder)trans-114.2124.3-178.9-176.10000107.8V380 D384 S385 V386 L418 G422 K423 Q425V380-V420 HydrophobicContact CG1-CG1 4.13Å; V380-V420 HydrophobicContact CG1-CG2 3.78Å; D384-V420 HydrophobicContact CB-CG1 4.08Å; S385-V420 CarbonylContact O-C 3.58Å; S385-V420 WeakPolarHBondContact O-CA 3.39Å; V386-V420 HydrophobicContact CG2-CG2 4.37Å; L418-V420 HydrophobicContact CB-CG2 4.4Å; V420-G422 PolarHBondContact O-N 2.95Å; V420-K423 PolarHBondContact N-O 3.11Å; V420-K423 PolarHBondContact O-N 3.13Å; V420-Q425 VanDerWaalsContact CG2-NE2 3.3Å
421N93.8Very high92.3Very high83 Ų8358.4 Ų58.444%0.44430%0.297SS..THydrogen-bonded Turntrans50.441.1-176.9-61.8-37.2000112.6D384 S385 K423D384-N421 VanDerWaalsContact CG-ND2 3.35Å; D384-N421 PolarHBondContact OD1-ND2 3.06Å; S385-N421 PolarHBondContact N-OD1 2.86Å; S385-N421 PolarHBondContact O-N 3.14Å; N421-K423 VanDerWaalsContact C-N 3.29Å; N421-K423 PolarHBondContact O-N 2.9Å
422G90.9Very high91.1Very high25 Ų2560.4 Ų60.426%0.25832%0.319SS..THydrogen-bonded Turntrans77.83.2179.600000115.5I419 V420I419-G422 VanDerWaalsContact CG2-C 3.44Å; V420-G422 PolarHBondContact O-N 2.95Å
423K91.5Very high89.8Confident158 Ų15861 Ų6169%0.68732%0.324SS*.EExtended strand (participates in β ladder)trans-115.9143-177.9-62-179.3-177.6178.30112.1I419 V420 N421 Q425I419-K423 CarbonylContact C-O 3.57Å; I419-K423 VanDerWaalsContact CA-O 3.32Å; I419-K423 WeakPolarHBondContact CA-O 3.44Å; V420-K423 PolarHBondContact N-O 3.11Å; V420-K423 PolarHBondContact O-N 3.13Å; N421-K423 VanDerWaalsContact C-N 3.29Å; N421-K423 PolarHBondContact O-N 2.9Å; K423-Q425 PolarHBondContact O-NE2 3.37Å
424R92.6Very high88.4Confident147 Ų14762.3 Ų62.356%0.55534%0.339SS*.EExtended strand (participates in β ladder)trans-69.5151170.8-66.3-173.8175.1-163.7-4.6110.5P305 I419P305-R424 HydrophobicContact CG-CG 4.12Å; I419-R424 HydrophobicContact CG1-CG 4.48Å
425Q93.9Very high86.9Confident41 Ų4163.6 Ų63.619%0.19235%0.347CS..PPolyproline II helixtrans-75.2152.9174-53.1-50.1-74.700111.2P415 L416 L418 V420 K423 A429P415-Q425 WeakPolarHBondContact O-CB 3Å; P415-Q425 WeakPolarHBondContact O-CG 3.36Å; L416-Q425 HydrophobicContact CD2-CB 4.28Å; L418-Q425 HydrophobicContact CB-CG 4.29Å; V420-Q425 VanDerWaalsContact CG2-NE2 3.3Å; K423-Q425 PolarHBondContact O-NE2 3.37Å; Q425-A429 HydrophobicContact CB-CB 4.2Å
426N90.8Very high84.8Confident88 Ų8868.1 Ų68.147%0.47138%0.379SS..PPolyproline II helixtrans-83.6157.3177.564.6-0.7000110.8L416 Q428 A429L416-N426 WeakPolarHBondContact CD2-O 3.28Å; N426-Q428 PolarHBondContact O-N 3.15Å; N426-Q428 VanDerWaalsContact O-N 3.15Å; N426-A429 WeakPolarHBondContact O-CB 3.21Å; N426-A429 PolarHBondContact O-N 3.08Å; N426-A429 WeakPolarHBondContact OD1-CB 3.21Å; N426-A429 PolarHBondContact OD1-N 3.22Å
427V89.5Confident82.7Confident117 Ų11768.5 Ų68.571%0.70938%0.376SS*.G310 helixtrans-59.2-30.2179.7-1790000112.2A429 Q430V427-A429 PolarHBondContact O-N 3.29Å; V427-Q430 PolarHBondContact O-N 3.31Å; V427-Q430 VanDerWaalsContact O-N 3.11Å
428Q89.9Confident80.3Confident157 Ų15772.3 Ų72.373%0.73439%0.39SS*.G310 helixtrans-64.9-15.8176-65.6172-18.400113.8A375 N426 Q430A375-Q428 WeakPolarHBondContact CB-O 3.33Å; N426-Q428 PolarHBondContact O-N 3.15Å; N426-Q428 VanDerWaalsContact O-N 3.15Å; Q428-Q430 PolarHBondContact O-N 3.39Å
429A86.4Confident77.7Confident2 Ų276.8 Ų76.82%0.01742%0.42CS..G310 helixtrans-69.7-19.4173.200000112.9A375 W378 P415 Q425 N426 V427A375-A429 WeakPolarHBondContact CB-O 3.46Å; A375-A429 PolarHBondContact N-O 3.15Å; W378-A429 HydrophobicContact CB-CB 4.32Å; W378-A429 HydrophobicContact CG-CB 3.85Å; P415-A429 HydrophobicContact CB-CB 4.2Å; P415-A429 HydrophobicContact CG-CB 3.99Å; P415-A429 VanDerWaalsContact CG-O 3.27Å; P415-A429 WeakPolarHBondContact CG-O 3.32Å; Q425-A429 HydrophobicContact CB-CB 4.2Å; N426-A429 WeakPolarHBondContact O-CB 3.21Å; N426-A429 PolarHBondContact O-N 3.08Å; N426-A429 WeakPolarHBondContact OD1-CB 3.21Å; N426-A429 PolarHBondContact OD1-N 3.22Å; V427-A429 PolarHBondContact O-N 3.29Å
430Q87.8Confident75.3Confident76 Ų7679.8 Ų79.836%0.35543%0.434SS..BIsolated β-bridgetrans-101137.4-174.3-174.8173.7-36.400111.6N373 S414 P415 L416 V427 Q428N373-Q430 HydrophobicContact CB-CG 4.13Å; N373-Q430 CarbonylContact O-C 3.57Å; N373-Q430 VanDerWaalsContact O-CA 3.24Å; N373-Q430 WeakPolarHBondContact O-CA 3.34Å; N373-Q430 WeakPolarHBondContact O-CG 3.36Å; S414-Q430 PolarHBondContact OG-OE1 2.97Å; P415-Q430 HydrophobicContact CG-CB 4.26Å; L416-Q430 HydrophobicContact CD1-CB 4.4Å; L416-Q430 HydrophobicContact CG-CB 4.24Å; V427-Q430 PolarHBondContact O-N 3.31Å; V427-Q430 VanDerWaalsContact O-N 3.11Å; Q428-Q430 PolarHBondContact O-N 3.39Å
431T83.6Confident72.7Confident78 Ų7881.1 Ų81.148%0.47944%0.444SS..  trans-144.2136.6169.6-64.20000107.8N373 A375 A433N373-T431 CarbonylContact C-O 3.54Å; N373-T431 WeakPolarHBondContact CA-O 3.16Å; N373-T431 WeakPolarHBondContact CB-O 3.4Å; N373-T431 PolarHBondContact O-N 3.18Å; N373-T431 VanDerWaalsContact O-O 3.06Å; A375-T431 WeakPolarHBondContact CA-OG1 3.36Å; A375-T431 WeakPolarHBondContact CB-OG1 3.28Å; T431-A433 PolarHBondContact O-N 3.15Å
432A73.3Confident70.2Confident66 Ų6682.2 Ų82.255%0.54545%0.446SS..  trans-62.5134.1-178.900000110.6S434A432-S434 PolarHBondContact O-N 2.98Å
433A67.4Low69.2Low17 Ų1785.1 Ų85.114%0.1446%0.456CS..  trans-62.4128.617000000109.4F196 Q200 Y238 N373 T431F196-A433 HydrophobicContact CD1-CB 4.41Å; Q200-A433 PolarHBondContact NE2-O 2.81Å; Y238-A433 HydrophobicContact CE2-CB 3.95Å; N373-A433 PolarHBondContact OD1-N 3.25Å; T431-A433 PolarHBondContact O-N 3.15Å
434S63.5Low68Low107 Ų10781.3 Ų81.375%0.74844%0.443SS*.  trans-116.6145.7173.562.40000109.6A432A432-S434 PolarHBondContact O-N 2.98Å
435V61.8Low66.6Low39 Ų3977.6 Ų77.624%0.23644%0.437CS..  trans-107.2117.61661770000106.3F196 T234 Y437F196-V435 HydrophobicContact CD1-CG2 3.94Å; F196-V435 HydrophobicContact CD2-CB 4.12Å; F196-V435 HydrophobicContact CD2-CG2 3.58Å; F196-V435 HydrophobicContact CE1-CG2 3.7Å; F196-V435 HydrophobicContact CE2-CB 4.23Å; F196-V435 HydrophobicContact CE2-CG2 3.31Å; F196-V435 HydrophobicContact CG-CB 4.48Å; F196-V435 HydrophobicContact CG-CG2 3.9Å; F196-V435 HydrophobicContact CZ-CG2 3.39Å; T234-V435 HydrophobicContact CG2-CG1 4.19Å; T234-V435 HydrophobicContact CG2-CG2 4.25Å; V435-Y437 HydrophobicContact CB-CE2 4.45Å; V435-Y437 HydrophobicContact CG1-CE2 4.36Å; V435-Y437 PolarHBondContact O-N 3.1Å
436S49.1Very low65Low95 Ų9579.8 Ų79.866%0.66445%0.452SS*.  trans-77.1105.7168.959.40000107.9K438S436-K438 PolarHBondContact O-N 3.14Å
437Y49.8Very low63.4Low65 Ų6579.3 Ų79.326%0.25545%0.45SS..  trans-71.7118.9162.4-61.9-85.4000106.8I192 V435I192-Y437 WeakPolarHBondContact CB-OH 3.49Å; I192-Y437 WeakPolarHBondContact CG2-OH 3.49Å; V435-Y437 HydrophobicContact CB-CE2 4.45Å; V435-Y437 HydrophobicContact CG1-CE2 4.36Å; V435-Y437 PolarHBondContact O-N 3.1Å
438K45.1Very low61.7Low138 Ų13876.7 Ų76.760%0.643%0.433SS*.  trans-66134159-76.1-179.9-1761620106.4E261 S436 Q440E261-K438 IonicContact OE2-NZ 3.74Å; E261-K438 PolarHBondContact OE2-NZ 3.12Å; S436-K438 PolarHBondContact O-N 3.14Å; K438-Q440 PolarHBondContact O-N 2.93Å
439P41.3Very low59.6Low94 Ų9471 Ų7161%0.6141%0.412SS*.  trans-6689.1169.926.8-30.9000107.2Q152Q152-P439 VanDerWaalsContact OE1-CB 3.26Å
440Q44.1Very low57.6Low68 Ų6876.3 Ų76.332%0.31844%0.442SS..  trans-81.9127.4158.3-79175.2-6000106.3W259 K438 E442W259-Q440 VanDerWaalsContact CD1-NE2 3.31Å; W259-Q440 VanDerWaalsContact CE2-NE2 3.33Å; W259-Q440 VanDerWaalsContact CE2-OE1 3.3Å; K438-Q440 PolarHBondContact O-N 2.93Å; Q440-E442 PolarHBondContact O-N 2.68Å; Q440-E442 VanDerWaalsContact O-N 3.15Å
441S41.9Very low55.1Low43 Ų4376.3 Ų76.330%0.30145%0.449SS..  trans-65.7105.5159.7490000106.4P86P86-S441 PolarHBondContact O-OG 3.3Å
442E40Very low52.5Low106 Ų10676.2 Ų76.250%0.49545%0.447SS..  trans-56.10164.5-69.3177.6-175.900110.6M148 Y185 Q440M148-E442 HydrophobicContact CE-CB 4.25Å; M148-E442 HydrophobicContact CE-CG 4.14Å; M148-E442 WeakPolarHBondContact CE-OE2 3.35Å; Y185-E442 VanDerWaalsContact CE1-OE1 3.3Å; Y185-E442 WeakPolarHBondContact CE1-OE1 3.3Å; Y185-E442 VanDerWaalsContact CZ-OE1 3.31Å; Y185-E442 PolarHBondContact OH-OE1 2.87Å; Q440-E442 PolarHBondContact O-N 2.68Å; Q440-E442 VanDerWaalsContact O-N 3.15Å

Retrieved 442 of 442 residues in 3542.6 ms (Link to these results)

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