A0A096MW42_PAPAN Loading...

Zinc finger and BTB domain-containing protein 8B

May be involved in transcriptional regulation.

AlphaFold DB , UniProt , Accession A0A096MW42, Species PAPAN (Papio anubis, Olive baboon), Gene ZBTB8B, Length 494 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
1M48.4Very low68.6Low180 Ų18082.1 Ų82.189%0.88741%0.41SS*.  01260-133.3173.678.100106.6Y6M1-Y6 HydrophobicContact CE-CD2 3.71Å; M1-Y6 HydrophobicContact CE-CG 4.3Å
2E59Low69.2Low158 Ų15877.8 Ų77.874%0.73840%0.401SS*.  trans-67.3139.5-179-67.1173.8159.100110.2Q4 S5E2-Q4 PolarHBondContact O-N 3.16Å; E2-Q4 VanDerWaalsContact O-N 3.07Å; E2-S5 PolarHBondContact O-N 3.24Å; E2-S5 PolarHBondContact O-OG 2.65Å; E2-S5 VanDerWaalsContact O-OG 3.1Å
3M62.6Low69.9Low110 Ų11078.2 Ų78.254%0.54240%0.4SS..Hα-helixtrans-54.4-34.3-174.7-155.2-158.2-46.400112.1Y6 Y7M3-Y6 PolarHBondContact O-N 3.31Å; M3-Y7 HydrophobicContact CB-CE2 4.43Å; M3-Y7 HydrophobicContact CG-CD2 4.41Å; M3-Y7 HydrophobicContact CG-CE2 3.6Å; M3-Y7 VanDerWaalsContact O-CD2 3.24Å; M3-Y7 WeakPolarHBondContact O-CD2 3.42Å; M3-Y7 PolarHBondContact O-N 3.34Å; M3-Y7 HydrophobicContact SD-CE2 3.47Å; M3-Y7 WeakPolarHBondContact SD-CE2 3.4Å; M3-Y7 PolarHBondContact SD-OH 3.25Å
4Q61.4Low70.5Confident102 Ų10273.4 Ų73.448%0.47738%0.376SS..Hα-helixtrans-66.2-34-179.9-161.1167.1-16.500113.3E2 A8 D268 Y271E2-Q4 PolarHBondContact O-N 3.16Å; E2-Q4 VanDerWaalsContact O-N 3.07Å; Q4-A8 PolarHBondContact O-N 3.43Å; Q4-D268 PolarHBondContact NE2-OD2 2.9Å; Q4-Y271 HydrophobicContact CG-CD1 4.01Å; Q4-Y271 HydrophobicContact CG-CD2 3.48Å; Q4-Y271 VanDerWaalsContact CG-CD2 3.48Å; Q4-Y271 HydrophobicContact CG-CE1 4.01Å; Q4-Y271 HydrophobicContact CG-CE2 3.42Å; Q4-Y271 VanDerWaalsContact CG-CE2 3.42Å; Q4-Y271 HydrophobicContact CG-CG 3.79Å; Q4-Y271 VanDerWaalsContact NE2-CD2 3.3Å; Q4-Y271 PolarHBondContact O-OH 2.88Å
5S69.5Low71.4Confident57 Ų5769.6 Ų69.640%0.39936%0.357SS..Hα-helixtrans-75.3-26.4175.6750000112.7E2 K9E2-S5 PolarHBondContact O-N 3.24Å; E2-S5 PolarHBondContact O-OG 2.65Å; E2-S5 VanDerWaalsContact O-OG 3.1Å; S5-K9 PolarHBondContact O-N 2.88Å
6Y72.4Confident72Confident85 Ų8569.4 Ų69.433%0.33335%0.354SS..Hα-helixtrans-68.8-48.5176.1-165-68.8000111.2M1 M3 A8 K9 L10 L284M1-Y6 HydrophobicContact CE-CD2 3.71Å; M1-Y6 HydrophobicContact CE-CG 4.3Å; M3-Y6 PolarHBondContact O-N 3.31Å; Y6-A8 VanDerWaalsContact C-N 3.3Å; Y6-A8 PolarHBondContact O-N 3.27Å; Y6-K9 WeakPolarHBondContact O-CB 3.48Å; Y6-K9 PolarHBondContact O-N 3.03Å; Y6-K9 VanDerWaalsContact O-N 3.12Å; Y6-L10 HydrophobicContact CE1-CB 4.45Å; Y6-L10 PolarHBondContact O-N 3.08Å; Y6-L284 HydrophobicContact CD1-CD1 3.81Å; Y6-L284 HydrophobicContact CD1-CD2 3.87Å; Y6-L284 HydrophobicContact CD1-CG 4.16Å; Y6-L284 HydrophobicContact CE1-CD1 3.97Å; Y6-L284 HydrophobicContact CE1-CD2 3.18Å; Y6-L284 HydrophobicContact CE1-CG 3.78Å; Y6-L284 HydrophobicContact CE2-CD2 4.2Å; Y6-L284 WeakPolarHBondContact OH-CD2 3.18Å
7Y71.5Confident72.4Confident9 Ų968.6 Ų68.64%0.03535%0.349CS..Hα-helixtrans-60.7-38.8178.3-68.2-46.3000112.9M3 K9 L10 L11 Y271 K277 L280 E281 L284M3-Y7 HydrophobicContact CB-CE2 4.43Å; M3-Y7 HydrophobicContact CG-CD2 4.41Å; M3-Y7 HydrophobicContact CG-CE2 3.6Å; M3-Y7 VanDerWaalsContact O-CD2 3.24Å; M3-Y7 WeakPolarHBondContact O-CD2 3.42Å; M3-Y7 PolarHBondContact O-N 3.34Å; M3-Y7 HydrophobicContact SD-CE2 3.47Å; M3-Y7 WeakPolarHBondContact SD-CE2 3.4Å; M3-Y7 PolarHBondContact SD-OH 3.25Å; Y7-K9 VanDerWaalsContact C-N 3.26Å; Y7-K9 PolarHBondContact O-N 2.94Å; Y7-L10 PolarHBondContact O-N 2.76Å; Y7-L11 WeakPolarHBondContact O-CB 3.41Å; Y7-L11 PolarHBondContact O-N 3.26Å; Y7-Y271 VanDerWaalsContact CB-CE1 3.45Å; Y7-Y271 VanDerWaalsContact CB-OH 3.32Å; Y7-Y271 WeakPolarHBondContact CB-OH 3.37Å; Y7-Y271 HydrophobicContact CD2-CD1 4.21Å; Y7-Y271 AromaticContact CD2-CE1 3.64Å; Y7-Y271 HydrophobicContact CD2-CE1 3.64Å; Y7-Y271 AromaticContact CG-CE1 3.96Å; Y7-Y271 HydrophobicContact CG-CE1 3.96Å; Y7-K277 HydrophobicContact CE2-CG 4.46Å; Y7-L280 HydrophobicContact CD1-CB 3.49Å; Y7-L280 VanDerWaalsContact CD1-CB 3.49Å; Y7-L280 HydrophobicContact CD1-CD1 3.97Å; Y7-L280 HydrophobicContact CD1-CG 4.35Å; Y7-L280 HydrophobicContact CE1-CB 3.74Å; Y7-L280 HydrophobicContact CG-CB 4.49Å; Y7-L280 HydrophobicContact CG-CD1 4.21Å; Y7-E281 HydrophobicContact CE1-CG 4.17Å; Y7-E281 WeakPolarHBondContact OH-CG 3.37Å; Y7-E281 PolarHBondContact OH-OE1 2.67Å; Y7-L284 HydrophobicContact CD1-CD1 4.3Å; Y7-L284 HydrophobicContact CE1-CD1 3.74Å
8A73.9Confident73.1Confident49 Ų4966.2 Ų66.241%0.40534%0.335SS..Hα-helixtrans-61.7-39176.300000111Q4 Y6 G12 Y271Q4-A8 PolarHBondContact O-N 3.43Å; Y6-A8 VanDerWaalsContact C-N 3.3Å; Y6-A8 PolarHBondContact O-N 3.27Å; A8-G12 PolarHBondContact O-N 2.95Å; A8-Y271 WeakPolarHBondContact CA-OH 3.49Å; A8-Y271 WeakPolarHBondContact CB-OH 3.32Å; A8-Y271 PolarHBondContact N-OH 2.85Å
9K77.9Confident73.6Confident124 Ų12469.2 Ų69.254%0.53935%0.345SS..Hα-helixtrans-64.4-48.2174.2-166.6-170.1178.5-154.50111.7S5 Y6 Y7 L11 G12 E13S5-K9 PolarHBondContact O-N 2.88Å; Y6-K9 WeakPolarHBondContact O-CB 3.48Å; Y6-K9 PolarHBondContact O-N 3.03Å; Y6-K9 VanDerWaalsContact O-N 3.12Å; Y7-K9 VanDerWaalsContact C-N 3.26Å; Y7-K9 PolarHBondContact O-N 2.94Å; K9-L11 PolarHBondContact O-N 2.89Å; K9-G12 CarbonylContact O-C 3.59Å; K9-G12 PolarHBondContact O-N 3.32Å; K9-E13 WeakPolarHBondContact CE-OE1 3.34Å; K9-E13 IonicContact NZ-OE1 3.32Å; K9-E13 PolarHBondContact NZ-OE1 3.07Å; K9-E13 WeakPolarHBondContact O-CG 3.38Å; K9-E13 PolarHBondContact O-N 2.89Å
10L78.2Confident73.9Confident22 Ų2274.1 Ų74.112%0.11536%0.359CS..Hα-helixtrans-63.6-40179.7-178.659000112.4Y6 Y7 E13 L14 L280 L283Y6-L10 HydrophobicContact CE1-CB 4.45Å; Y6-L10 PolarHBondContact O-N 3.08Å; Y7-L10 PolarHBondContact O-N 2.76Å; L10-E13 PolarHBondContact O-N 3.08Å; L10-L14 WeakPolarHBondContact O-CG 3.39Å; L10-L14 PolarHBondContact O-N 2.81Å; L10-L280 HydrophobicContact CD2-CB 4.18Å; L10-L280 HydrophobicContact CD2-CD2 3.76Å; L10-L280 HydrophobicContact CG-CD2 3.96Å; L10-L283 HydrophobicContact CD1-CD1 4.42Å; L10-L283 HydrophobicContact CD2-CB 4Å; L10-L283 HydrophobicContact CD2-CD1 4.15Å; L10-L283 HydrophobicContact CG-CD1 4.45Å
11L80.3Confident74.1Confident7 Ų774.6 Ų74.64%0.03736%0.364CS..Hα-helixtrans-67-38.6175.4-154.373.9000111.1Y7 K9 L14 N15 I41 Y84 L280Y7-L11 WeakPolarHBondContact O-CB 3.41Å; Y7-L11 PolarHBondContact O-N 3.26Å; K9-L11 PolarHBondContact O-N 2.89Å; L11-L14 PolarHBondContact O-N 3.43Å; L11-N15 WeakPolarHBondContact O-CB 3.27Å; L11-N15 PolarHBondContact O-N 2.96Å; L11-I41 HydrophobicContact CD1-CD1 3.91Å; L11-Y84 CarbonylContact C-O 3.52Å; L11-Y84 WeakPolarHBondContact CG-O 3.37Å; L11-L280 HydrophobicContact CD1-CD1 4.46Å; L11-L280 HydrophobicContact CD1-CD2 4.18Å
12G75.4Confident75.3Confident30 Ų3071.3 Ų71.331%0.30935%0.345SS..Hα-helixtrans-60.9-43.2170.300000113.4A8 K9 L14 N15 E16A8-G12 PolarHBondContact O-N 2.95Å; K9-G12 CarbonylContact O-C 3.59Å; K9-G12 PolarHBondContact O-N 3.32Å; G12-L14 VanDerWaalsContact C-N 3.35Å; G12-L14 PolarHBondContact O-N 3.34Å; G12-N15 WeakPolarHBondContact O-CB 3.17Å; G12-N15 PolarHBondContact O-N 2.77Å; G12-E16 WeakPolarHBondContact O-CB 3.12Å; G12-E16 WeakPolarHBondContact O-CG 3.49Å; G12-E16 PolarHBondContact O-N 3.3Å
13E77.8Confident76Confident83 Ų8368.8 Ų68.839%0.38833%0.331SS..Hα-helixtrans-62.3-40.5174.5-73.1170.8-166.400111.5K9 L10 E16 Q17K9-E13 WeakPolarHBondContact CE-OE1 3.34Å; K9-E13 IonicContact NZ-OE1 3.32Å; K9-E13 PolarHBondContact NZ-OE1 3.07Å; K9-E13 WeakPolarHBondContact O-CG 3.38Å; K9-E13 PolarHBondContact O-N 2.89Å; L10-E13 PolarHBondContact O-N 3.08Å; E13-E16 PolarHBondContact O-N 3.45Å; E13-Q17 WeakPolarHBondContact O-CG 3.24Å; E13-Q17 PolarHBondContact O-N 2.04Å
14L78.7Confident76.9Confident11 Ų1163.9 Ų63.96%0.05831%0.308CS..Hα-helixtrans-67.2-34.6173.4-70.1168.9000112.8L10 L11 G12 Q17 R18 H38 I41 Y84 F279 L280 L283L10-L14 WeakPolarHBondContact O-CG 3.39Å; L10-L14 PolarHBondContact O-N 2.81Å; L11-L14 PolarHBondContact O-N 3.43Å; G12-L14 VanDerWaalsContact C-N 3.35Å; G12-L14 PolarHBondContact O-N 3.34Å; L14-Q17 PolarHBondContact O-N 3.46Å; L14-R18 WeakPolarHBondContact O-CB 3.4Å; L14-R18 PolarHBondContact O-N 3.17Å; L14-H38 PolarHBondContact O-CE1 2.82Å; L14-I41 HydrophobicContact CD1-CD1 4.07Å; L14-Y84 HydrophobicContact CB-CD1 4.3Å; L14-Y84 HydrophobicContact CB-CE1 4.17Å; L14-F279 HydrophobicContact CD1-CE1 4.12Å; L14-L280 HydrophobicContact CD1-CD2 4.26Å; L14-L283 HydrophobicContact CD1-CD1 3.96Å
15N83.8Confident77.7Confident17 Ų1761.8 Ų61.89%0.09130%0.3CS..Hα-helixtrans-65.2-42.7173.6-165.6-5.4000110.9L11 G12 Q17 R18 K19 Y84L11-N15 WeakPolarHBondContact O-CB 3.27Å; L11-N15 PolarHBondContact O-N 2.96Å; G12-N15 WeakPolarHBondContact O-CB 3.17Å; G12-N15 PolarHBondContact O-N 2.77Å; N15-Q17 VanDerWaalsContact C-N 3.32Å; N15-Q17 PolarHBondContact O-N 3.22Å; N15-R18 WeakPolarHBondContact O-CB 3.07Å; N15-R18 PolarHBondContact O-N 2.94Å; N15-R18 PolarHBondContact OD1-NE 2.88Å; N15-R18 PolarHBondContact OD1-NH2 3.45Å; N15-R18 VanDerWaalsContact OD1-NH2 3.09Å; N15-K19 WeakPolarHBondContact O-CG 3.45Å; N15-K19 PolarHBondContact O-N 2.96Å; N15-K19 VanDerWaalsContact OD1-CE 3.3Å; N15-K19 WeakPolarHBondContact OD1-CE 3.1Å; N15-Y84 HydrophobicContact CB-CD1 4Å; N15-Y84 HydrophobicContact CB-CG 4.38Å
16E80.5Confident78.4Confident67 Ų6759.1 Ų59.131%0.31328%0.281SS..Hα-helixtrans-67.3-30.1175.8-76.7-59.8120.300112.8G12 E13 K19 R20G12-E16 WeakPolarHBondContact O-CB 3.12Å; G12-E16 WeakPolarHBondContact O-CG 3.49Å; G12-E16 PolarHBondContact O-N 3.3Å; E13-E16 PolarHBondContact O-N 3.45Å; E16-K19 WeakPolarHBondContact OE1-CD 3.38Å; E16-K19 IonicContact OE1-NZ 2.62Å; E16-K19 PolarHBondContact OE1-NZ 3.21Å; E16-R20 WeakPolarHBondContact O-CG 3.36Å; E16-R20 PolarHBondContact O-NH1 2.85Å; E16-R20 IonicContact OE2-CZ 2.66Å; E16-R20 IonicContact OE2-NH1 2.69Å; E16-R20 PolarHBondContact OE2-NH1 3.29Å; E16-R20 IonicContact OE2-NH2 3.71Å; E16-R20 PolarHBondContact OE2-NH2 3.31Å
17Q79.5Confident79.2Confident56 Ų5655.8 Ų55.826%0.26227%0.271SS..Hα-helixtrans-68.8-46.5167.4-71.3172.923.900111.5E13 L14 N15 K19 R20 D21 F22 H38E13-Q17 WeakPolarHBondContact O-CG 3.24Å; E13-Q17 PolarHBondContact O-N 2.04Å; L14-Q17 PolarHBondContact O-N 3.46Å; N15-Q17 VanDerWaalsContact C-N 3.32Å; N15-Q17 PolarHBondContact O-N 3.22Å; Q17-K19 PolarHBondContact O-N 2.79Å; Q17-R20 CarbonylContact O-C 3.55Å; Q17-R20 PolarHBondContact O-N 3.15Å; Q17-R20 VanDerWaalsContact O-N 3.07Å; Q17-D21 PolarHBondContact O-N 3.38Å; Q17-F22 HydrophobicContact CB-CB 4.27Å; Q17-F22 PolarHBondContact O-N 2.67Å; Q17-H38 VanDerWaalsContact C-CE1 3.46Å; Q17-H38 WeakPolarHBondContact CB-CE1 3.33Å
18R85.1Confident80Confident25 Ų2555.4 Ų55.49%0.09427%0.269CS..Hα-helixtrans-54.9-48.2177.3-177-160.773.6170.810.6111.7L14 N15 R20 D21 K36 H38 L80 D81 Y84L14-R18 WeakPolarHBondContact O-CB 3.4Å; L14-R18 PolarHBondContact O-N 3.17Å; N15-R18 WeakPolarHBondContact O-CB 3.07Å; N15-R18 PolarHBondContact O-N 2.94Å; N15-R18 PolarHBondContact OD1-NE 2.88Å; N15-R18 PolarHBondContact OD1-NH2 3.45Å; N15-R18 VanDerWaalsContact OD1-NH2 3.09Å; R18-R20 PolarHBondContact O-N 3.47Å; R18-D21 PolarHBondContact O-N 3.26Å; R18-K36 WeakPolarHBondContact CG-O 3.42Å; R18-H38 VanDerWaalsContact CA-CE1 3.43Å; R18-H38 WeakPolarHBondContact CA-CE1 3.38Å; R18-H38 PolarHBondContact N-CE1 3.28Å; R18-L80 PolarHBondContact NH1-O 2.79Å; R18-L80 VanDerWaalsContact NH1-O 3.08Å; R18-D81 IonicContact CZ-OD1 3.31Å; R18-D81 VanDerWaalsContact CZ-OD1 3.26Å; R18-D81 IonicContact NH1-OD1 3.68Å; R18-D81 PolarHBondContact NH1-OD1 2.9Å; R18-D81 IonicContact NH2-OD1 3.55Å; R18-D81 PolarHBondContact NH2-OD1 3.01Å; R18-Y84 HydrophobicContact CB-CD1 4.43Å; R18-Y84 HydrophobicContact CB-CE1 3.89Å; R18-Y84 HydrophobicContact CG-CE1 4.29Å; R18-Y84 HydrophobicContact CG-CE2 4.38Å
19K82.3Confident80.8Confident123 Ų12356 Ų5654%0.53527%0.265SS..Hα-helixtrans-64.8-21.2178.6-68.3174.7-163.2167.30114.1N15 E16 Q17N15-K19 WeakPolarHBondContact O-CG 3.45Å; N15-K19 PolarHBondContact O-N 2.96Å; N15-K19 VanDerWaalsContact OD1-CE 3.3Å; N15-K19 WeakPolarHBondContact OD1-CE 3.1Å; E16-K19 WeakPolarHBondContact OE1-CD 3.38Å; E16-K19 IonicContact OE1-NZ 2.62Å; E16-K19 PolarHBondContact OE1-NZ 3.21Å; Q17-K19 PolarHBondContact O-N 2.79Å
20R79.2Confident81.5Confident167 Ų16750.1 Ų50.163%0.6324%0.239SC*.THydrogen-bonded Turntrans-98.513.4174.9-63.6-174.1-168.286.410.7112.5E16 Q17 R18 F22E16-R20 WeakPolarHBondContact O-CG 3.36Å; E16-R20 PolarHBondContact O-NH1 2.85Å; E16-R20 IonicContact OE2-CZ 2.66Å; E16-R20 IonicContact OE2-NH1 2.69Å; E16-R20 PolarHBondContact OE2-NH1 3.29Å; E16-R20 IonicContact OE2-NH2 3.71Å; E16-R20 PolarHBondContact OE2-NH2 3.31Å; Q17-R20 CarbonylContact O-C 3.55Å; Q17-R20 PolarHBondContact O-N 3.15Å; Q17-R20 VanDerWaalsContact O-N 3.07Å; R18-R20 PolarHBondContact O-N 3.47Å; R20-F22 PolarHBondContact O-N 3.32Å; R20-F22 VanDerWaalsContact O-N 3.09Å
21D78.2Confident82Confident84 Ų8455 Ų5545%0.44926%0.261SS..THydrogen-bonded Turntrans55.120.9-175-66.6-16000114.6Q17 R18 K36Q17-D21 PolarHBondContact O-N 3.38Å; R18-D21 PolarHBondContact O-N 3.26Å; D21-K36 HydrophobicContact CB-CD 4.09Å; D21-K36 VanDerWaalsContact CG-NZ 3.31Å; D21-K36 WeakPolarHBondContact OD1-CD 3.44Å; D21-K36 IonicContact OD1-NZ 3.64Å; D21-K36 WeakPolarHBondContact OD2-CD 3.2Å; D21-K36 IonicContact OD2-NZ 2.65Å; D21-K36 PolarHBondContact OD2-NZ 3.32Å
22F73.4Confident82.2Confident111 Ų11157.8 Ų57.849%0.48729%0.292SS..THydrogen-bonded Turntrans-83.2128.7-173.7-152.1-119.2000110.8Q17 R20 C24 H38Q17-F22 HydrophobicContact CB-CB 4.27Å; Q17-F22 PolarHBondContact O-N 2.67Å; R20-F22 PolarHBondContact O-N 3.32Å; R20-F22 VanDerWaalsContact O-N 3.09Å; F22-C24 PolarHBondContact O-N 3.05Å; F22-C24 VanDerWaalsContact O-N 3.09Å; F22-H38 PolarHBondContact O-NE2 2.99Å
23F74.6Confident82.9Confident105 Ų10562.3 Ų62.346%0.46130%0.3SS..THydrogen-bonded Turntrans55.315.8-175.7-58-54.9000116.5D25 H38 M318F23-D25 PolarHBondContact O-N 3.42Å; F23-H38 WeakPolarHBondContact CB-NE2 3.34Å; F23-H38 PolarHBondContact O-CD2 3.22Å; F23-M318 HydrophobicContact CD1-CE 4.39Å; F23-M318 HydrophobicContact CE1-CE 4.39Å
24C81.1Confident83.4Confident8 Ų863.8 Ų63.85%0.05431%0.309CS..  trans-69.8101.2177.6-64.70000111.9F22 K36 H63F22-C24 PolarHBondContact O-N 3.05Å; F22-C24 VanDerWaalsContact O-N 3.09Å; C24-K36 HydrophobicContact CB-CB 3.93Å; C24-H63 PolarHBondContact O-ND1 3.02Å
25D77.7Confident84Confident58 Ų5864.7 Ų64.731%0.3131%0.313SS..  trans-88.8-7.317969.7-38.9000113.3F23 A37 H38 R39 H63 S64F23-D25 PolarHBondContact O-N 3.42Å; D25-A37 PolarHBondContact N-O 3.42Å; D25-H38 WeakPolarHBondContact OD1-CA 3.23Å; D25-R39 VanDerWaalsContact CG-CB 3.46Å; D25-R39 VanDerWaalsContact OD1-CB 3.25Å; D25-R39 WeakPolarHBondContact OD1-CB 3.47Å; D25-R39 PolarHBondContact OD1-N 3.36Å; D25-R39 WeakPolarHBondContact OD2-CB 3.47Å; D25-R39 VanDerWaalsContact OD2-CD 3.31Å; D25-R39 WeakPolarHBondContact OD2-CD 3.37Å; D25-H63 CarbonylContact O-C 3.49Å; D25-H63 WeakPolarHBondContact O-CA 3.39Å; D25-S64 PolarHBondContact O-N 2.84Å
26C84.9Confident84.2Confident0 Ų068 Ų680%033%0.326CS..EExtended strand (participates in β ladder)trans-121.4144177.4-166.70000112.2A37 R39 L42 L53 S64C26-A37 WeakPolarHBondContact CB-O 3.39Å; C26-A37 PolarHBondContact N-O 3.41Å; C26-A37 PolarHBondContact O-N 3.09Å; C26-R39 HydrophobicContact CB-CB 4.3Å; C26-L42 HydrophobicContact CB-CD1 4.19Å; C26-L53 VanDerWaalsContact SG-CD1 3.53Å; C26-S64 CarbonylContact C-O 3.6Å; C26-S64 WeakPolarHBondContact CA-O 3.33Å; C26-S64 PolarHBondContact SG-O 2.99Å
27S88.7Confident84.6Confident16 Ų1664.8 Ų64.811%0.11231%0.312CS..EExtended strand (participates in β ladder)trans-132.2119.6170.8-68.80000109.9F35 S64 T65 A66S27-F35 CarbonylContact C-O 3.6Å; S27-F35 WeakPolarHBondContact CA-O 3.33Å; S27-S64 PolarHBondContact N-O 2.83Å; S27-T65 VanDerWaalsContact O-CA 3.27Å; S27-T65 WeakPolarHBondContact O-CA 3.37Å; S27-A66 PolarHBondContact O-N 3.37Å; S27-A66 VanDerWaalsContact O-N 3.1Å
28I89.9Confident84.9Confident1 Ų162.9 Ų62.91%0.00530%0.302CS..EExtended strand (participates in β ladder)trans-107126.8179.8-63.8177.5000108.7V30 F35 L42 F49 A66 L68 F76I28-V30 HydrophobicContact CG2-CG2 3.74Å; I28-F35 PolarHBondContact N-O 2.81Å; I28-F35 PolarHBondContact O-N 3.17Å; I28-L42 HydrophobicContact CD1-CD1 3.61Å; I28-L42 HydrophobicContact CD1-CD2 4.36Å; I28-F49 HydrophobicContact CD1-CD1 4.17Å; I28-F49 HydrophobicContact CD1-CE1 3.7Å; I28-F49 HydrophobicContact CD1-CZ 4.32Å; I28-A66 CarbonylContact C-O 3.57Å; I28-A66 WeakPolarHBondContact CA-O 3.31Å; I28-L68 HydrophobicContact CG2-CD1 3.54Å; I28-L68 HydrophobicContact CG2-CG 3.77Å; I28-F76 HydrophobicContact CB-CE1 4.4Å; I28-F76 HydrophobicContact CB-CZ 4.1Å; I28-F76 HydrophobicContact CD1-CE2 4.38Å; I28-F76 HydrophobicContact CD1-CZ 3.76Å; I28-F76 HydrophobicContact CG2-CE1 4.23Å; I28-F76 HydrophobicContact CG2-CE2 4.19Å; I28-F76 HydrophobicContact CG2-CZ 3.8Å
29I89.1Confident84.8Confident60 Ų6062.7 Ų62.731%0.30830%0.302SS..EExtended strand (participates in β ladder)trans-99121.9178.8-51178.9000108.4R33 T65 A66 S67 L68I29-R33 CarbonylContact C-O 3.36Å; I29-R33 WeakPolarHBondContact CA-O 3.32Å; I29-T65 HydrophobicContact CD1-CG2 3.82Å; I29-T65 HydrophobicContact CG1-CG2 4.14Å; I29-A66 PolarHBondContact N-O 3.12Å; I29-S67 CarbonylContact O-C 3.6Å; I29-S67 VanDerWaalsContact O-CA 3.26Å; I29-S67 WeakPolarHBondContact O-CA 3.35Å; I29-L68 PolarHBondContact O-N 3.38Å
30V93.3Very high84.7Confident1 Ų159.4 Ų59.41%0.00629%0.29CS..EExtended strand (participates in β ladder)trans-134.4118.9180-166.40000108I28 G32 R33 F35 L68 V71 F76I28-V30 HydrophobicContact CG2-CG2 3.74Å; V30-G32 PolarHBondContact O-N 3.26Å; V30-R33 PolarHBondContact N-O 3.11Å; V30-R33 WeakPolarHBondContact O-CB 3.35Å; V30-R33 PolarHBondContact O-N 3.45Å; V30-F35 HydrophobicContact CB-CD2 4.23Å; V30-F35 HydrophobicContact CB-CE2 3.94Å; V30-F35 HydrophobicContact CG2-CD2 3.93Å; V30-F35 HydrophobicContact CG2-CE2 4.08Å; V30-L68 HydrophobicContact CG2-CB 4.21Å; V30-L68 HydrophobicContact CG2-CD1 4.17Å; V30-V71 HydrophobicContact CG1-CB 4.37Å; V30-V71 WeakPolarHBondContact CG1-O 3.44Å; V30-F76 HydrophobicContact CG1-CB 4.21Å; V30-F76 HydrophobicContact CG2-CB 4.21Å; V30-F76 HydrophobicContact CG2-CD1 3.84Å; V30-F76 HydrophobicContact CG2-CD2 4.2Å; V30-F76 HydrophobicContact CG2-CE1 4.3Å; V30-F76 HydrophobicContact CG2-CG 3.79Å
31E89.4Confident85Confident124 Ų12451.5 Ų51.558%0.57926%0.26SS*.THydrogen-bonded Turntrans5032.8-176.1-58.5177.8142.200113.9R33 S73E31-R33 VanDerWaalsContact C-N 3.26Å; E31-R33 PolarHBondContact O-N 3.13Å; E31-S73 WeakPolarHBondContact OE2-CB 3.42Å; E31-S73 PolarHBondContact OE2-N 2.79Å; E31-S73 PolarHBondContact OE2-OG 3.01Å
32G83.1Confident85.4Confident66 Ų6647.5 Ų47.568%0.6824%0.239SC*.THydrogen-bonded Turntrans79.6-6.8-176.200000115.6V30V30-G32 PolarHBondContact O-N 3.26Å
33R89.9Confident86Confident126 Ų12643 Ų4348%0.47522%0.219SC..EExtended strand (participates in β ladder)trans-79.7141.9167.9-57.2-169.1-166.5159.96.7110.1I29 V30 E31 F35 S73 D74I29-R33 CarbonylContact C-O 3.36Å; I29-R33 WeakPolarHBondContact CA-O 3.32Å; V30-R33 PolarHBondContact N-O 3.11Å; V30-R33 WeakPolarHBondContact O-CB 3.35Å; V30-R33 PolarHBondContact O-N 3.45Å; E31-R33 VanDerWaalsContact C-N 3.26Å; E31-R33 PolarHBondContact O-N 3.13Å; R33-F35 HydrophobicContact CB-CD2 4.47Å; R33-F35 HydrophobicContact CB-CE2 3.79Å; R33-F35 HydrophobicContact CB-CZ 4.36Å; R33-S73 PolarHBondContact NE-OG 3.04Å; R33-S73 PolarHBondContact NH1-OG 3.43Å; R33-D74 IonicContact CZ-OD1 3.4Å; R33-D74 IonicContact NH1-OD1 3.48Å; R33-D74 PolarHBondContact NH1-OD1 2.87Å; R33-D74 IonicContact NH2-OD1 2.73Å; R33-D74 PolarHBondContact NH2-OD1 2.96Å
34I88.9Confident86.4Confident114 Ų11438.1 Ų38.159%0.58520%0.198SC*.EExtended strand (participates in β ladder)trans-105.9120.7179.9-55.5176.1000109.4
35F91.2Very high86.5Confident29 Ų2938.9 Ų38.913%0.12720%0.202CC..EExtended strand (participates in β ladder)trans-107.7115.2176.7-65.8-93.3000110S27 I28 V30 R33 S73 F76 L80S27-F35 CarbonylContact C-O 3.6Å; S27-F35 WeakPolarHBondContact CA-O 3.33Å; I28-F35 PolarHBondContact N-O 2.81Å; I28-F35 PolarHBondContact O-N 3.17Å; V30-F35 HydrophobicContact CB-CD2 4.23Å; V30-F35 HydrophobicContact CB-CE2 3.94Å; V30-F35 HydrophobicContact CG2-CD2 3.93Å; V30-F35 HydrophobicContact CG2-CE2 4.08Å; R33-F35 HydrophobicContact CB-CD2 4.47Å; R33-F35 HydrophobicContact CB-CE2 3.79Å; R33-F35 HydrophobicContact CB-CZ 4.36Å; F35-S73 WeakPolarHBondContact CZ-O 3.37Å; F35-F76 HydrophobicContact CB-CD1 4.22Å; F35-F76 HydrophobicContact CB-CE1 3.65Å; F35-F76 AromaticContact CD1-CD1 3.88Å; F35-F76 HydrophobicContact CD1-CD1 3.88Å; F35-F76 HydrophobicContact CD1-CE1 4.05Å; F35-F76 AromaticContact CD2-CD1 3.69Å; F35-F76 HydrophobicContact CD2-CD1 3.69Å; F35-F76 AromaticContact CD2-CE1 3.97Å; F35-F76 HydrophobicContact CD2-CE1 3.97Å; F35-F76 HydrophobicContact CE1-CD1 4.1Å; F35-F76 AromaticContact CE2-CD1 3.93Å; F35-F76 HydrophobicContact CE2-CD1 3.93Å; F35-F76 AromaticContact CG-CD1 3.66Å; F35-F76 HydrophobicContact CG-CD1 3.66Å; F35-F76 AromaticContact CG-CE1 3.62Å; F35-F76 HydrophobicContact CG-CE1 3.62Å; F35-F76 HydrophobicContact CZ-CD1 4.13Å; F35-L80 HydrophobicContact CB-CD2 4.13Å; F35-L80 HydrophobicContact CD1-CD2 3.9Å; F35-L80 HydrophobicContact CG-CD2 4.45Å
36K88.7Confident86.8Confident86 Ų8636.4 Ų36.437%0.37419%0.189SC..EExtended strand (participates in β ladder)trans-86.1138.6175-73.5170.9177.4-178.60110.5R18 D21 C24R18-K36 WeakPolarHBondContact CG-O 3.42Å; D21-K36 HydrophobicContact CB-CD 4.09Å; D21-K36 VanDerWaalsContact CG-NZ 3.31Å; D21-K36 WeakPolarHBondContact OD1-CD 3.44Å; D21-K36 IonicContact OD1-NZ 3.64Å; D21-K36 WeakPolarHBondContact OD2-CD 3.2Å; D21-K36 IonicContact OD2-NZ 2.65Å; D21-K36 PolarHBondContact OD2-NZ 3.32Å; C24-K36 HydrophobicContact CB-CB 3.93Å
37A88.9Confident86.6Confident1 Ų138.6 Ų38.61%0.00821%0.211CC..EExtended strand (participates in β ladder)trans-151.6161.9-176.700000112.2D25 C26 L42 L80D25-A37 PolarHBondContact N-O 3.42Å; C26-A37 WeakPolarHBondContact CB-O 3.39Å; C26-A37 PolarHBondContact N-O 3.41Å; C26-A37 PolarHBondContact O-N 3.09Å; A37-L42 HydrophobicContact CB-CD1 3.98Å; A37-L42 HydrophobicContact CB-CD2 4.3Å; A37-L42 HydrophobicContact CB-CG 4.18Å; A37-L80 HydrophobicContact CB-CD1 4.17Å
38H85.6Confident86.6Confident15 Ų1539.8 Ų39.87%0.06921%0.214CC..  trans-85.2117.3166.7-53.1113.5000108.4L14 Q17 R18 F22 F23 D25 N40 I41 L42 Y84L14-H38 PolarHBondContact O-CE1 2.82Å; Q17-H38 VanDerWaalsContact C-CE1 3.46Å; Q17-H38 WeakPolarHBondContact CB-CE1 3.33Å; R18-H38 VanDerWaalsContact CA-CE1 3.43Å; R18-H38 WeakPolarHBondContact CA-CE1 3.38Å; R18-H38 PolarHBondContact N-CE1 3.28Å; F22-H38 PolarHBondContact O-NE2 2.99Å; F23-H38 WeakPolarHBondContact CB-NE2 3.34Å; F23-H38 PolarHBondContact O-CD2 3.22Å; D25-H38 WeakPolarHBondContact OD1-CA 3.23Å; H38-N40 PolarHBondContact O-N 2.87Å; H38-N40 VanDerWaalsContact O-N 3.16Å; H38-I41 HydrophobicContact CB-CG1 4.27Å; H38-I41 PolarHBondContact O-N 3.26Å; H38-L42 PolarHBondContact O-N 2.86Å; H38-Y84 VanDerWaalsContact CB-OH 3.32Å; H38-Y84 WeakPolarHBondContact CB-OH 3.4Å; H38-Y84 VanDerWaalsContact CG-OH 3.29Å; H38-Y84 PolarHBondContact N-OH 3.34Å; H38-Y84 AromaticContact ND1-CE1 3.44Å; H38-Y84 WeakPolarHBondContact ND1-CE1 3.36Å; H38-Y84 AromaticContact ND1-CZ 3.56Å; H38-Y84 PolarHBondContact ND1-OH 3.04Å
39R82.8Confident86.4Confident22 Ų2239.8 Ų39.88%0.08321%0.214CC..Hα-helixtrans-52.2-37.3178.1-175.8-175.8-175.5137.521.5113D25 C26 I41 L42 F43 L53 Y56 S64D25-R39 VanDerWaalsContact CG-CB 3.46Å; D25-R39 VanDerWaalsContact OD1-CB 3.25Å; D25-R39 WeakPolarHBondContact OD1-CB 3.47Å; D25-R39 PolarHBondContact OD1-N 3.36Å; D25-R39 WeakPolarHBondContact OD2-CB 3.47Å; D25-R39 VanDerWaalsContact OD2-CD 3.31Å; D25-R39 WeakPolarHBondContact OD2-CD 3.37Å; C26-R39 HydrophobicContact CB-CB 4.3Å; R39-I41 VanDerWaalsContact C-N 3.35Å; R39-I41 PolarHBondContact O-N 3.49Å; R39-L42 PolarHBondContact O-N 2.81Å; R39-F43 HydrophobicContact CG-CD1 3.96Å; R39-F43 HydrophobicContact CG-CD2 4.14Å; R39-F43 HydrophobicContact CG-CE1 3.72Å; R39-F43 HydrophobicContact CG-CE2 3.93Å; R39-F43 HydrophobicContact CG-CG 4.21Å; R39-F43 HydrophobicContact CG-CZ 3.75Å; R39-F43 VanDerWaalsContact O-CB 3.23Å; R39-F43 WeakPolarHBondContact O-CB 3.21Å; R39-F43 VanDerWaalsContact O-CD1 3.23Å; R39-F43 WeakPolarHBondContact O-CD1 3.5Å; R39-F43 WeakPolarHBondContact O-CG 3.29Å; R39-F43 PolarHBondContact O-N 3.21Å; R39-L53 VanDerWaalsContact NH2-C 3.28Å; R39-L53 PolarHBondContact NH2-O 2.91Å; R39-Y56 PolarHBondContact NH1-O 3.15Å; R39-Y56 VanDerWaalsContact NH1-O 3.17Å; R39-S64 PolarHBondContact NH1-OG 3.38Å
40N81Confident86.1Confident54 Ų5441.2 Ų41.229%0.28922%0.215SC..Hα-helixtrans-62.7-38179.2-70.3-25.2000112.8H38 F43 A44 F279H38-N40 PolarHBondContact O-N 2.87Å; H38-N40 VanDerWaalsContact O-N 3.16Å; N40-F43 PolarHBondContact O-N 3.26Å; N40-A44 WeakPolarHBondContact O-CB 3.47Å; N40-A44 PolarHBondContact O-N 3.12Å; N40-F279 HydrophobicContact CB-CD2 4.29Å; N40-F279 HydrophobicContact CB-CE2 3.58Å; N40-F279 HydrophobicContact CB-CZ 3.79Å
41I85Confident85.6Confident1 Ų144.2 Ų44.21%0.00524%0.24CC..Hα-helixtrans-67.7-45.9175.5-69.1-63.8000110.6L11 L14 H38 R39 F43 A44 N45 L83 Y84 F279L11-I41 HydrophobicContact CD1-CD1 3.91Å; L14-I41 HydrophobicContact CD1-CD1 4.07Å; H38-I41 HydrophobicContact CB-CG1 4.27Å; H38-I41 PolarHBondContact O-N 3.26Å; R39-I41 VanDerWaalsContact C-N 3.35Å; R39-I41 PolarHBondContact O-N 3.49Å; I41-F43 VanDerWaalsContact C-N 3.27Å; I41-F43 PolarHBondContact O-N 3.41Å; I41-A44 PolarHBondContact O-N 3.33Å; I41-N45 PolarHBondContact O-N 3.11Å; I41-N45 PolarHBondContact O-ND2 3.1Å; I41-L83 HydrophobicContact CG2-CB 4.02Å; I41-Y84 HydrophobicContact CB-CE2 4.26Å; I41-Y84 HydrophobicContact CG1-CE1 4.17Å; I41-Y84 HydrophobicContact CG2-CD2 4.01Å; I41-Y84 HydrophobicContact CG2-CE1 4.49Å; I41-Y84 HydrophobicContact CG2-CE2 3.7Å; I41-F279 HydrophobicContact CD1-CD1 3.96Å; I41-F279 HydrophobicContact CD1-CE1 3.56Å; I41-F279 HydrophobicContact CG1-CE1 4.29Å
42L86.6Confident85.2Confident0 Ų040.6 Ų40.60%022%0.224CC..Hα-helixtrans-58-41.9174.1-59.9178.6000111.4C26 I28 A37 H38 R39 N45 S46 F49 L53 L80 L83C26-L42 HydrophobicContact CB-CD1 4.19Å; I28-L42 HydrophobicContact CD1-CD1 3.61Å; I28-L42 HydrophobicContact CD1-CD2 4.36Å; A37-L42 HydrophobicContact CB-CD1 3.98Å; A37-L42 HydrophobicContact CB-CD2 4.3Å; A37-L42 HydrophobicContact CB-CG 4.18Å; H38-L42 PolarHBondContact O-N 2.86Å; R39-L42 PolarHBondContact O-N 2.81Å; L42-N45 PolarHBondContact O-N 3.3Å; L42-S46 PolarHBondContact O-N 3.08Å; L42-F49 HydrophobicContact CB-CB 3.95Å; L42-F49 HydrophobicContact CB-CD2 3.76Å; L42-F49 HydrophobicContact CB-CE2 4.49Å; L42-F49 HydrophobicContact CB-CG 3.91Å; L42-F49 HydrophobicContact CD2-CD2 4.04Å; L42-F49 HydrophobicContact CD2-CE2 3.9Å; L42-F49 HydrophobicContact CD2-CZ 4.27Å; L42-F49 HydrophobicContact CG-CD2 4.42Å; L42-L53 HydrophobicContact CD1-CD1 4.3Å; L42-L80 HydrophobicContact CD2-CD1 4.08Å; L42-L83 HydrophobicContact CD2-CD1 3.68Å
43F86.4Confident84.9Confident16 Ų1637.4 Ų37.47%0.0719%0.192CC..Hα-helixtrans-72.4-30.8-177.5-80.616.4000113.7R39 N40 I41 N45 F49 R50 L53R39-F43 HydrophobicContact CG-CD1 3.96Å; R39-F43 HydrophobicContact CG-CD2 4.14Å; R39-F43 HydrophobicContact CG-CE1 3.72Å; R39-F43 HydrophobicContact CG-CE2 3.93Å; R39-F43 HydrophobicContact CG-CG 4.21Å; R39-F43 HydrophobicContact CG-CZ 3.75Å; R39-F43 VanDerWaalsContact O-CB 3.23Å; R39-F43 WeakPolarHBondContact O-CB 3.21Å; R39-F43 VanDerWaalsContact O-CD1 3.23Å; R39-F43 WeakPolarHBondContact O-CD1 3.5Å; R39-F43 WeakPolarHBondContact O-CG 3.29Å; R39-F43 PolarHBondContact O-N 3.21Å; N40-F43 PolarHBondContact O-N 3.26Å; I41-F43 VanDerWaalsContact C-N 3.27Å; I41-F43 PolarHBondContact O-N 3.41Å; F43-N45 VanDerWaalsContact C-N 3.32Å; F43-F49 HydrophobicContact CD1-CB 4.32Å; F43-F49 VanDerWaalsContact CE1-O 3.24Å; F43-F49 WeakPolarHBondContact CE1-O 3.47Å; F43-R50 HydrophobicContact CB-CG 3.83Å; F43-R50 HydrophobicContact CD1-CB 4.49Å; F43-R50 HydrophobicContact CD1-CG 3.91Å; F43-R50 HydrophobicContact CD2-CG 4.07Å; F43-R50 HydrophobicContact CE1-CG 4.37Å; F43-R50 HydrophobicContact CG-CG 3.69Å; F43-R50 PolarHBondContact O-NE 2.9Å; F43-L53 HydrophobicContact CE1-CB 3.8Å; F43-L53 HydrophobicContact CE1-CD1 3.84Å; F43-L53 HydrophobicContact CE1-CG 4.34Å; F43-L53 HydrophobicContact CZ-CB 3.89Å
44A82.9Confident83.9Confident3 Ų335.4 Ų35.43%0.02519%0.19CC..Hα-helixtrans-70.4-32.7175.100000111.6N40 I41 N273 H275 V276 W324N40-A44 WeakPolarHBondContact O-CB 3.47Å; N40-A44 PolarHBondContact O-N 3.12Å; I41-A44 PolarHBondContact O-N 3.33Å; A44-N273 PolarHBondContact O-OD1 3.37Å; A44-H275 WeakPolarHBondContact O-CB 2.96Å; A44-V276 HydrophobicContact CB-CB 4.48Å; A44-V276 HydrophobicContact CB-CG2 3.85Å; A44-W324 HydrophobicContact CB-CH2 4.01Å
45N81.7Confident82.3Confident24 Ų2436.6 Ų36.613%0.12819%0.193CC..Hα-helixtrans-97-22.9-171.6-74.6-84.4000115.3I41 L42 F43 L83 M107 V276I41-N45 PolarHBondContact O-N 3.11Å; I41-N45 PolarHBondContact O-ND2 3.1Å; L42-N45 PolarHBondContact O-N 3.3Å; F43-N45 VanDerWaalsContact C-N 3.32Å; N45-L83 HydrophobicContact CB-CD2 3.27Å; N45-M107 HydrophobicContact CB-CE 4.41Å; N45-V276 VanDerWaalsContact CG-CG2 3.5Å; N45-V276 WeakPolarHBondContact ND2-CG2 3.37Å; N45-V276 VanDerWaalsContact OD1-CG2 3.26Å; N45-V276 WeakPolarHBondContact OD1-CG2 3.2Å
46S85.7Confident80.6Confident5 Ų541 Ų414%0.03521%0.209CC..  trans-145.3130.4179.5170.80000114L42 Y48 F49 R50 L105L42-S46 PolarHBondContact O-N 3.08Å; S46-Y48 PolarHBondContact O-N 3.25Å; S46-Y48 VanDerWaalsContact OG-CB 3.32Å; S46-Y48 WeakPolarHBondContact OG-CB 2.96Å; S46-Y48 PolarHBondContact OG-N 2.73Å; S46-F49 PolarHBondContact O-N 3.09Å; S46-F49 PolarHBondContact OG-N 3.47Å; S46-R50 PolarHBondContact O-N 3.2Å; S46-L105 WeakPolarHBondContact CB-O 2.99Å; S46-L105 PolarHBondContact OG-O 2.83Å
47G80.6Confident79Confident46 Ų4641 Ų4147%0.47421%0.212SC..Hα-helixtrans-65.7-25.1168.300000113.3R50 A51G47-R50 WeakPolarHBondContact O-CB 3.44Å; G47-R50 PolarHBondContact O-N 2.79Å; G47-A51 PolarHBondContact O-N 3.13Å
48Y88.2Confident77.1Confident42 Ų4247.8 Ų47.817%0.16524%0.244CC..Hα-helixtrans-65.8-48.7174.5-179.2-94.9000111S46 R50 A51 L52 L68 Y104 L105S46-Y48 PolarHBondContact O-N 3.25Å; S46-Y48 VanDerWaalsContact OG-CB 3.32Å; S46-Y48 WeakPolarHBondContact OG-CB 2.96Å; S46-Y48 PolarHBondContact OG-N 2.73Å; Y48-R50 VanDerWaalsContact C-N 3.3Å; Y48-R50 PolarHBondContact O-N 2.99Å; Y48-A51 PolarHBondContact O-N 3.21Å; Y48-A51 VanDerWaalsContact O-N 3.16Å; Y48-L52 HydrophobicContact CE1-CB 4.45Å; Y48-L52 HydrophobicContact CE1-CD1 4.12Å; Y48-L52 HydrophobicContact CE1-CD2 4.34Å; Y48-L52 VanDerWaalsContact O-CB 3.29Å; Y48-L52 WeakPolarHBondContact O-CB 3.44Å; Y48-L52 PolarHBondContact O-N 3.37Å; Y48-L68 HydrophobicContact CE1-CD2 3.97Å; Y48-Y104 HydrophobicContact CE1-CE1 4.06Å; Y48-Y104 AromaticContact CZ-CE1 3.87Å; Y48-Y104 PolarHBondContact OH-OH 2.97Å; Y48-Y104 VanDerWaalsContact OH-OH 3.05Å; Y48-L105 HydrophobicContact CD1-CD2 3.75Å; Y48-L105 HydrophobicContact CE1-CD2 4.03Å
49F86Confident75Confident0 Ų053.4 Ų53.40%028%0.275CS..Hα-helixtrans-60.8-39.8174.9-69.3-50.4000112I28 L42 F43 S46 A51 L52 L53 L68 F76 L83 L105I28-F49 HydrophobicContact CD1-CD1 4.17Å; I28-F49 HydrophobicContact CD1-CE1 3.7Å; I28-F49 HydrophobicContact CD1-CZ 4.32Å; L42-F49 HydrophobicContact CB-CB 3.95Å; L42-F49 HydrophobicContact CB-CD2 3.76Å; L42-F49 HydrophobicContact CB-CE2 4.49Å; L42-F49 HydrophobicContact CB-CG 3.91Å; L42-F49 HydrophobicContact CD2-CD2 4.04Å; L42-F49 HydrophobicContact CD2-CE2 3.9Å; L42-F49 HydrophobicContact CD2-CZ 4.27Å; L42-F49 HydrophobicContact CG-CD2 4.42Å; F43-F49 HydrophobicContact CD1-CB 4.32Å; F43-F49 VanDerWaalsContact CE1-O 3.24Å; F43-F49 WeakPolarHBondContact CE1-O 3.47Å; S46-F49 PolarHBondContact O-N 3.09Å; S46-F49 PolarHBondContact OG-N 3.47Å; F49-A51 PolarHBondContact O-N 3.15Å; F49-L52 HydrophobicContact CD1-CD2 4.36Å; F49-L52 PolarHBondContact O-N 3.12Å; F49-L53 WeakPolarHBondContact O-CB 3.47Å; F49-L53 PolarHBondContact O-N 3.03Å; F49-L68 HydrophobicContact CE1-CD1 4.34Å; F49-F76 HydrophobicContact CE1-CE2 4.45Å; F49-F76 HydrophobicContact CZ-CE2 4Å; F49-L83 HydrophobicContact CE2-CD1 4.4Å; F49-L105 HydrophobicContact CE1-CD2 3.67Å; F49-L105 HydrophobicContact CE2-CD1 4.3Å; F49-L105 HydrophobicContact CE2-CD2 4.3Å; F49-L105 HydrophobicContact CZ-CD1 3.77Å; F49-L105 HydrophobicContact CZ-CD2 3.53Å; F49-L105 HydrophobicContact CZ-CG 4.19Å
50R82.3Confident73.2Confident90 Ų9056.2 Ų56.234%0.3430%0.297SS..Hα-helixtrans-54.1-53.2172.4-74.5-173.2173.8-120.6-3.1111.1F43 S46 G47 Y48 I54F43-R50 HydrophobicContact CB-CG 3.83Å; F43-R50 HydrophobicContact CD1-CB 4.49Å; F43-R50 HydrophobicContact CD1-CG 3.91Å; F43-R50 HydrophobicContact CD2-CG 4.07Å; F43-R50 HydrophobicContact CE1-CG 4.37Å; F43-R50 HydrophobicContact CG-CG 3.69Å; F43-R50 PolarHBondContact O-NE 2.9Å; S46-R50 PolarHBondContact O-N 3.2Å; G47-R50 WeakPolarHBondContact O-CB 3.44Å; G47-R50 PolarHBondContact O-N 2.79Å; Y48-R50 VanDerWaalsContact C-N 3.3Å; Y48-R50 PolarHBondContact O-N 2.99Å; R50-I54 VanDerWaalsContact O-CB 3.31Å; R50-I54 WeakPolarHBondContact O-CB 3.41Å; R50-I54 PolarHBondContact O-N 3.46Å
51A81.6Confident71.8Confident64 Ų6458.2 Ų58.253%0.52933%0.331SS..Hα-helixtrans-64.5-45.4-179.200000113G47 Y48 F49 L53 I54G47-A51 PolarHBondContact O-N 3.13Å; Y48-A51 PolarHBondContact O-N 3.21Å; Y48-A51 VanDerWaalsContact O-N 3.16Å; F49-A51 PolarHBondContact O-N 3.15Å; A51-L53 VanDerWaalsContact C-N 3.35Å; A51-L53 PolarHBondContact O-N 3.32Å; A51-I54 WeakPolarHBondContact O-CG2 3.44Å
52L81.1Confident70.3Confident48 Ų4867.9 Ų67.925%0.25137%0.368SS..Hα-helixtrans-56.4-47.2179.4-173.584.4000111.7Y48 F49 A66 L68Y48-L52 HydrophobicContact CE1-CB 4.45Å; Y48-L52 HydrophobicContact CE1-CD1 4.12Å; Y48-L52 HydrophobicContact CE1-CD2 4.34Å; Y48-L52 VanDerWaalsContact O-CB 3.29Å; Y48-L52 WeakPolarHBondContact O-CB 3.44Å; Y48-L52 PolarHBondContact O-N 3.37Å; F49-L52 HydrophobicContact CD1-CD2 4.36Å; F49-L52 PolarHBondContact O-N 3.12Å; L52-A66 HydrophobicContact CD2-CB 3.64Å; L52-A66 HydrophobicContact CG-CB 4.11Å; L52-L68 HydrophobicContact CD2-CD2 4.4Å
53L77.6Confident69.1Low0 Ų073.8 Ų73.80%040%0.395CS..Hα-helixtrans-94.1-11.2-171.5-58.3167.4000112.8C26 R39 L42 F43 F49 A51 H55 Y56 A66C26-L53 VanDerWaalsContact SG-CD1 3.53Å; R39-L53 VanDerWaalsContact NH2-C 3.28Å; R39-L53 PolarHBondContact NH2-O 2.91Å; L42-L53 HydrophobicContact CD1-CD1 4.3Å; F43-L53 HydrophobicContact CE1-CB 3.8Å; F43-L53 HydrophobicContact CE1-CD1 3.84Å; F43-L53 HydrophobicContact CE1-CG 4.34Å; F43-L53 HydrophobicContact CZ-CB 3.89Å; F49-L53 WeakPolarHBondContact O-CB 3.47Å; F49-L53 PolarHBondContact O-N 3.03Å; A51-L53 VanDerWaalsContact C-N 3.35Å; A51-L53 PolarHBondContact O-N 3.32Å; L53-H55 PolarHBondContact O-N 3.28Å; L53-Y56 WeakPolarHBondContact O-CA 3.44Å; L53-Y56 WeakPolarHBondContact O-CB 3.49Å; L53-Y56 PolarHBondContact O-N 3.36Å; L53-A66 HydrophobicContact CD2-CB 3.86Å
54I68.4Low68.6Low83 Ų8373.2 Ų73.243%0.42639%0.393SS..G310 helixtrans-55.1-31.1-172.9-157.2159.2000114R50 A51 Y56 I57R50-I54 VanDerWaalsContact O-CB 3.31Å; R50-I54 WeakPolarHBondContact O-CB 3.41Å; R50-I54 PolarHBondContact O-N 3.46Å; A51-I54 WeakPolarHBondContact O-CG2 3.44Å; I54-Y56 VanDerWaalsContact C-N 3.33Å; I54-I57 HydrophobicContact CG1-CD1 3.94Å; I54-I57 WeakPolarHBondContact O-CB 3.48Å; I54-I57 WeakPolarHBondContact O-CG1 3.27Å; I54-I57 PolarHBondContact O-N 3.17Å
55H56.6Low68.5Low140 Ų14075.8 Ų75.865%0.64841%0.408SS*.G310 helixtrans-69.2-30.7177-69.7-73.8000112.6L53 I57 Q58L53-H55 PolarHBondContact O-N 3.28Å; H55-I57 PolarHBondContact O-N 3.25Å; H55-Q58 PolarHBondContact O-N 3.18Å
56Y55.8Low68.7Low120 Ų12075.2 Ų75.247%0.47141%0.407SS..G310 helixtrans-77.913.5172.7-68.1-95.2000113.8R39 L53 I54 S64 T65R39-Y56 PolarHBondContact NH1-O 3.15Å; R39-Y56 VanDerWaalsContact NH1-O 3.17Å; L53-Y56 WeakPolarHBondContact O-CA 3.44Å; L53-Y56 WeakPolarHBondContact O-CB 3.49Å; L53-Y56 PolarHBondContact O-N 3.36Å; I54-Y56 VanDerWaalsContact C-N 3.33Å; Y56-S64 WeakPolarHBondContact CB-OG 3.44Å; Y56-T65 PolarHBondContact OH-O 3.01Å
57I54.2Low68.7Low87 Ų8777.7 Ų77.745%0.44642%0.424SS..G310 helixtrans-85.4-27.8167.2-56.4178.9000110.8I54 H55I54-I57 HydrophobicContact CG1-CD1 3.94Å; I54-I57 WeakPolarHBondContact O-CB 3.48Å; I54-I57 WeakPolarHBondContact O-CG1 3.27Å; I54-I57 PolarHBondContact O-N 3.17Å; H55-I57 PolarHBondContact O-N 3.25Å
58Q48.2Very low69.1Low144 Ų14475.5 Ų75.567%0.67340%0.402SS*.THydrogen-bonded Turntrans-93.6-27.1-160.9-60.2-1718.300114.2H55H55-Q58 PolarHBondContact O-N 3.18Å
59D41.6Very low68.9Low133 Ų13379.9 Ų79.971%0.71143%0.428SS*.SBendtrans-118.7100.1-172.1-71.5-41.4000112.3
60S45.9Very low68.9Low80 Ų8086 Ų8656%0.55946%0.459SS*.  trans65.5150172.773.60000117R62S60-R62 PolarHBondContact O-N 2.86Å; S60-R62 WeakPolarHBondContact OG-CD 3.18Å; S60-R62 WeakPolarHBondContact OG-CG 3.44Å
61G51.6Low69.3Low97 Ų9781.9 Ų81.9100%144%0.444SS*.SBendtrans-73.149.8173.700000113.5
62R54Low69.8Low204 Ų20480.9 Ų80.977%0.7743%0.432SS*.  trans-96.5151175.5-72.5-179.3179.8-149.7-0.1110.2S60 S64S60-R62 PolarHBondContact O-N 2.86Å; S60-R62 WeakPolarHBondContact OG-CD 3.18Å; S60-R62 WeakPolarHBondContact OG-CG 3.44Å; R62-S64 PolarHBondContact O-N 3.38Å
63H61.3Low70.3Confident124 Ų12478.7 Ų78.757%0.57442%0.42SS*.  trans-55.3129.6172.3-56.6-88.3000110C24 D25 T65C24-H63 PolarHBondContact O-ND1 3.02Å; D25-H63 CarbonylContact O-C 3.49Å; D25-H63 WeakPolarHBondContact O-CA 3.39Å; H63-T65 PolarHBondContact O-N 3.05Å
64S76.1Confident70.9Confident3 Ų383.1 Ų83.12%0.02144%0.444CS..EExtended strand (participates in β ladder)trans-74.9110.9177.6-59.90000108.8D25 C26 S27 R39 Y56 R62D25-S64 PolarHBondContact O-N 2.84Å; C26-S64 CarbonylContact C-O 3.6Å; C26-S64 WeakPolarHBondContact CA-O 3.33Å; C26-S64 PolarHBondContact SG-O 2.99Å; S27-S64 PolarHBondContact N-O 2.83Å; R39-S64 PolarHBondContact NH1-OG 3.38Å; Y56-S64 WeakPolarHBondContact CB-OG 3.44Å; R62-S64 PolarHBondContact O-N 3.38Å
65T80.2Confident72.1Confident57 Ų5779.2 Ų79.235%0.3542%0.424SS..EExtended strand (participates in β ladder)trans-108.6129.5-179.2-53.30000110.6S27 I29 Y56 H63S27-T65 VanDerWaalsContact O-CA 3.27Å; S27-T65 WeakPolarHBondContact O-CA 3.37Å; I29-T65 HydrophobicContact CD1-CG2 3.82Å; I29-T65 HydrophobicContact CG1-CG2 4.14Å; Y56-T65 PolarHBondContact OH-O 3.01Å; H63-T65 PolarHBondContact O-N 3.05Å
66A85.1Confident73.8Confident13 Ų1372.6 Ų72.611%0.10739%0.394CS..EExtended strand (participates in β ladder)trans-142.3153.4175.800000111.2S27 I28 I29 L52 L53S27-A66 PolarHBondContact O-N 3.37Å; S27-A66 VanDerWaalsContact O-N 3.1Å; I28-A66 CarbonylContact C-O 3.57Å; I28-A66 WeakPolarHBondContact CA-O 3.31Å; I29-A66 PolarHBondContact N-O 3.12Å; L52-A66 HydrophobicContact CD2-CB 3.64Å; L52-A66 HydrophobicContact CG-CB 4.11Å; L53-A66 HydrophobicContact CD2-CB 3.86Å
67S86.5Confident75.6Confident56 Ų5668.8 Ų68.839%0.39238%0.384SS..EExtended strand (participates in β ladder)trans-104.4152.6174.161.70000112.3I29 D69I29-S67 CarbonylContact O-C 3.6Å; I29-S67 VanDerWaalsContact O-CA 3.26Å; I29-S67 WeakPolarHBondContact O-CA 3.35Å; S67-D69 WeakPolarHBondContact CB-OD1 3.44Å; S67-D69 PolarHBondContact OG-OD1 3.21Å
68L88.8Confident77.3Confident0 Ų066.5 Ų66.50%037%0.373CS..  trans-125.493.9170-57.1172.9000108I28 I29 V30 Y48 F49 L52 I70 V71 F76 Y104 L105I28-L68 HydrophobicContact CG2-CD1 3.54Å; I28-L68 HydrophobicContact CG2-CG 3.77Å; I29-L68 PolarHBondContact O-N 3.38Å; V30-L68 HydrophobicContact CG2-CB 4.21Å; V30-L68 HydrophobicContact CG2-CD1 4.17Å; Y48-L68 HydrophobicContact CE1-CD2 3.97Å; F49-L68 HydrophobicContact CE1-CD1 4.34Å; L52-L68 HydrophobicContact CD2-CD2 4.4Å; L68-I70 VanDerWaalsContact C-N 3.32Å; L68-I70 PolarHBondContact O-N 3.24Å; L68-V71 HydrophobicContact CB-CB 4.36Å; L68-V71 HydrophobicContact CB-CG2 4.39Å; L68-F76 HydrophobicContact CD1-CD2 3.63Å; L68-F76 HydrophobicContact CD1-CE2 3.39Å; L68-F76 HydrophobicContact CD1-CZ 4.25Å; L68-Y104 HydrophobicContact CD2-CE1 4.1Å; L68-L105 HydrophobicContact CD1-CD2 4.2Å; L68-L105 HydrophobicContact CD2-CD2 4.3Å
69D84.1Confident79.4Confident135 Ų13559.7 Ų59.772%0.72234%0.341SS*.SBendtrans-84.3-7.3-170.3-48.6-39.2000113.5S67S67-D69 WeakPolarHBondContact CB-OD1 3.44Å; S67-D69 PolarHBondContact OG-OD1 3.21Å
70I86.4Confident81.7Confident127 Ų12753.7 Ų53.765%0.65131%0.309SS*.SBendtrans-105.3-15.3-175.1-66.6166.1000112.2L68 Y104L68-I70 VanDerWaalsContact C-N 3.32Å; L68-I70 PolarHBondContact O-N 3.24Å; I70-Y104 HydrophobicContact CB-CE2 4.22Å; I70-Y104 HydrophobicContact CD1-CD2 4.44Å; I70-Y104 HydrophobicContact CD1-CE2 3.62Å; I70-Y104 HydrophobicContact CG1-CE2 4.49Å; I70-Y104 HydrophobicContact CG2-CD2 4.2Å; I70-Y104 HydrophobicContact CG2-CE2 4.32Å
71V91.3Very high83.8Confident5 Ų552.8 Ų52.83%0.0330%0.298CS..SBendtrans-100.3135.6-174179.60000109.2V30 L68 F76 A101 Y104V30-V71 HydrophobicContact CG1-CB 4.37Å; V30-V71 WeakPolarHBondContact CG1-O 3.44Å; L68-V71 HydrophobicContact CB-CB 4.36Å; L68-V71 HydrophobicContact CB-CG2 4.39Å; V71-F76 HydrophobicContact CG1-CB 3.9Å; V71-F76 HydrophobicContact CG1-CD2 4.38Å; V71-A101 HydrophobicContact CG1-CB 3.63Å; V71-A101 HydrophobicContact CG2-CB 4.39Å; V71-Y104 HydrophobicContact CG2-CD1 3.63Å; V71-Y104 HydrophobicContact CG2-CE1 4.17Å; V71-Y104 HydrophobicContact CG2-CG 4.28Å
72T90.8Very high85.6Confident43 Ų4348.8 Ų48.826%0.26425%0.253SS..  trans-71.4142.7173.160.70000110.3D74 A75 F76 E97T72-D74 PolarHBondContact O-N 3.28Å; T72-A75 PolarHBondContact O-N 2.85Å; T72-A75 WeakPolarHBondContact OG1-CB 3.44Å; T72-A75 PolarHBondContact OG1-N 3.4Å; T72-F76 WeakPolarHBondContact O-CB 3.31Å; T72-F76 PolarHBondContact O-N 3.2Å; T72-E97 PolarHBondContact OG1-OE2 3.41Å
73S92.1Very high87.2Confident1 Ų139.2 Ų39.21%0.00722%0.217CC..Hα-helixtrans-65.4-29.4-175.454.40000112.8E31 R33 F35 S77E31-S73 WeakPolarHBondContact OE2-CB 3.42Å; E31-S73 PolarHBondContact OE2-N 2.79Å; E31-S73 PolarHBondContact OE2-OG 3.01Å; R33-S73 PolarHBondContact NE-OG 3.04Å; R33-S73 PolarHBondContact NH1-OG 3.43Å; F35-S73 WeakPolarHBondContact CZ-O 3.37Å; S73-S77 PolarHBondContact O-N 3.24Å
74D90.9Very high88.4Confident94 Ų9433.3 Ų33.350%0.50319%0.189SC..Hα-helixtrans-75.1-43.5176.2-61.9-27.6000111.6R33 T72 F76 S77 I78R33-D74 IonicContact CZ-OD1 3.4Å; R33-D74 IonicContact NH1-OD1 3.48Å; R33-D74 PolarHBondContact NH1-OD1 2.87Å; R33-D74 IonicContact NH2-OD1 2.73Å; R33-D74 PolarHBondContact NH2-OD1 2.96Å; T72-D74 PolarHBondContact O-N 3.28Å; D74-F76 VanDerWaalsContact C-N 3.32Å; D74-F76 PolarHBondContact O-N 3.15Å; D74-S77 WeakPolarHBondContact O-CB 3.26Å; D74-S77 PolarHBondContact O-N 3.49Å; D74-I78 WeakPolarHBondContact O-CG1 3.27Å; D74-I78 PolarHBondContact O-N 3.26Å; D74-I78 VanDerWaalsContact O-N 3.11Å
75A92.3Very high88.7Confident1 Ų135.4 Ų35.41%0.00820%0.204CC..Hα-helixtrans-63.8-37.2172.400000112.2T72 I78 I79 E97 V98 A101T72-A75 PolarHBondContact O-N 2.85Å; T72-A75 WeakPolarHBondContact OG1-CB 3.44Å; T72-A75 PolarHBondContact OG1-N 3.4Å; A75-I78 PolarHBondContact O-N 3.44Å; A75-I79 WeakPolarHBondContact O-CG1 3.29Å; A75-I79 PolarHBondContact O-N 2.86Å; A75-I79 VanDerWaalsContact O-N 3.07Å; A75-E97 HydrophobicContact CB-CB 4.04Å; A75-V98 HydrophobicContact CB-CG2 4.21Å; A75-A101 HydrophobicContact CB-CB 4.13Å
76F93.7Very high88.6Confident1 Ų132.8 Ų32.80%0.00419%0.188CC..Hα-helixtrans-63.6-40172.9-172.1-97.9000112.1I28 V30 F35 F49 L68 V71 T72 D74 I79 L80 L105I28-F76 HydrophobicContact CB-CE1 4.4Å; I28-F76 HydrophobicContact CB-CZ 4.1Å; I28-F76 HydrophobicContact CD1-CE2 4.38Å; I28-F76 HydrophobicContact CD1-CZ 3.76Å; I28-F76 HydrophobicContact CG2-CE1 4.23Å; I28-F76 HydrophobicContact CG2-CE2 4.19Å; I28-F76 HydrophobicContact CG2-CZ 3.8Å; V30-F76 HydrophobicContact CG1-CB 4.21Å; V30-F76 HydrophobicContact CG2-CB 4.21Å; V30-F76 HydrophobicContact CG2-CD1 3.84Å; V30-F76 HydrophobicContact CG2-CD2 4.2Å; V30-F76 HydrophobicContact CG2-CE1 4.3Å; V30-F76 HydrophobicContact CG2-CG 3.79Å; F35-F76 HydrophobicContact CB-CD1 4.22Å; F35-F76 HydrophobicContact CB-CE1 3.65Å; F35-F76 AromaticContact CD1-CD1 3.88Å; F35-F76 HydrophobicContact CD1-CD1 3.88Å; F35-F76 HydrophobicContact CD1-CE1 4.05Å; F35-F76 AromaticContact CD2-CD1 3.69Å; F35-F76 HydrophobicContact CD2-CD1 3.69Å; F35-F76 AromaticContact CD2-CE1 3.97Å; F35-F76 HydrophobicContact CD2-CE1 3.97Å; F35-F76 HydrophobicContact CE1-CD1 4.1Å; F35-F76 AromaticContact CE2-CD1 3.93Å; F35-F76 HydrophobicContact CE2-CD1 3.93Å; F35-F76 AromaticContact CG-CD1 3.66Å; F35-F76 HydrophobicContact CG-CD1 3.66Å; F35-F76 AromaticContact CG-CE1 3.62Å; F35-F76 HydrophobicContact CG-CE1 3.62Å; F35-F76 HydrophobicContact CZ-CD1 4.13Å; F49-F76 HydrophobicContact CE1-CE2 4.45Å; F49-F76 HydrophobicContact CZ-CE2 4Å; L68-F76 HydrophobicContact CD1-CD2 3.63Å; L68-F76 HydrophobicContact CD1-CE2 3.39Å; L68-F76 HydrophobicContact CD1-CZ 4.25Å; V71-F76 HydrophobicContact CG1-CB 3.9Å; V71-F76 HydrophobicContact CG1-CD2 4.38Å; T72-F76 WeakPolarHBondContact O-CB 3.31Å; T72-F76 PolarHBondContact O-N 3.2Å; D74-F76 VanDerWaalsContact C-N 3.32Å; D74-F76 PolarHBondContact O-N 3.15Å; F76-I79 PolarHBondContact O-N 3.15Å; F76-L80 HydrophobicContact CE1-CB 4.2Å; F76-L80 HydrophobicContact CE1-CD1 4.18Å; F76-L80 HydrophobicContact CE1-CD2 4.21Å; F76-L80 HydrophobicContact CE1-CG 4.43Å; F76-L80 HydrophobicContact CZ-CD1 4.19Å; F76-L80 WeakPolarHBondContact O-CB 3.32Å; F76-L80 PolarHBondContact O-N 3.18Å; F76-L105 HydrophobicContact CD2-CD1 4.38Å; F76-L105 HydrophobicContact CE2-CD1 4.37Å
77S92.3Very high88.4Confident39 Ų3937.5 Ų37.527%0.27321%0.206SC..Hα-helixtrans-60.9-45.2176.5-161.50000111.6S73 D74 I79 L80 D81S73-S77 PolarHBondContact O-N 3.24Å; D74-S77 WeakPolarHBondContact O-CB 3.26Å; D74-S77 PolarHBondContact O-N 3.49Å; S77-I79 PolarHBondContact O-N 3.09Å; S77-L80 PolarHBondContact O-N 2.94Å; S77-D81 WeakPolarHBondContact O-CB 3.37Å; S77-D81 PolarHBondContact O-N 3.26Å
78I90.9Very high88.4Confident40 Ų4034.9 Ų34.921%0.20519%0.188CC..Hα-helixtrans-60.5-44.9177-64.5163.2000110.8D74 A75 D81 F82 L88 N94 V98D74-I78 WeakPolarHBondContact O-CG1 3.27Å; D74-I78 PolarHBondContact O-N 3.26Å; D74-I78 VanDerWaalsContact O-N 3.11Å; A75-I78 PolarHBondContact O-N 3.44Å; I78-D81 PolarHBondContact O-N 3.1Å; I78-F82 WeakPolarHBondContact O-CB 3.41Å; I78-F82 PolarHBondContact O-N 2.85Å; I78-L88 HydrophobicContact CG2-CD1 4.06Å; I78-N94 HydrophobicContact CD1-CB 4.27Å; I78-N94 WeakPolarHBondContact CD1-ND2 3.33Å; I78-V98 HydrophobicContact CB-CG2 4.14Å; I78-V98 HydrophobicContact CD1-CG2 3.73Å; I78-V98 HydrophobicContact CG2-CG1 4.38Å; I78-V98 HydrophobicContact CG2-CG2 3.99Å
79I91.4Very high88Confident1 Ų139.1 Ų39.11%0.00521%0.21CC..Hα-helixtrans-63.6-45.6176.3-68.9172000110.6A75 F76 S77 D81 F82 L83 V98 A101 A102 L105 M107A75-I79 WeakPolarHBondContact O-CG1 3.29Å; A75-I79 PolarHBondContact O-N 2.86Å; A75-I79 VanDerWaalsContact O-N 3.07Å; F76-I79 PolarHBondContact O-N 3.15Å; S77-I79 PolarHBondContact O-N 3.09Å; I79-D81 VanDerWaalsContact C-N 3.31Å; I79-D81 PolarHBondContact O-N 3.27Å; I79-F82 WeakPolarHBondContact O-CB 3.47Å; I79-F82 PolarHBondContact O-N 3.16Å; I79-L83 HydrophobicContact CG2-CG 4.49Å; I79-L83 VanDerWaalsContact O-CG 3.31Å; I79-L83 WeakPolarHBondContact O-CG 3.23Å; I79-L83 PolarHBondContact O-N 2.82Å; I79-V98 HydrophobicContact CG1-CG1 4.18Å; I79-A101 HydrophobicContact CD1-CB 3.53Å; I79-A102 HydrophobicContact CD1-CB 4.18Å; I79-L105 HydrophobicContact CD1-CD1 4.18Å; I79-L105 HydrophobicContact CG2-CD1 4.14Å; I79-M107 HydrophobicContact CG2-CE 4.33Å; I79-M107 HydrophobicContact CG2-SD 3.74Å
80L91.3Very high88.1Confident7 Ų732.9 Ų32.94%0.03718%0.177CC..Hα-helixtrans-64.5-35-180-167.676.8000111.9R18 F35 A37 L42 F76 S77 L83 Y84R18-L80 PolarHBondContact NH1-O 2.79Å; R18-L80 VanDerWaalsContact NH1-O 3.08Å; F35-L80 HydrophobicContact CB-CD2 4.13Å; F35-L80 HydrophobicContact CD1-CD2 3.9Å; F35-L80 HydrophobicContact CG-CD2 4.45Å; A37-L80 HydrophobicContact CB-CD1 4.17Å; L42-L80 HydrophobicContact CD2-CD1 4.08Å; F76-L80 HydrophobicContact CE1-CB 4.2Å; F76-L80 HydrophobicContact CE1-CD1 4.18Å; F76-L80 HydrophobicContact CE1-CD2 4.21Å; F76-L80 HydrophobicContact CE1-CG 4.43Å; F76-L80 HydrophobicContact CZ-CD1 4.19Å; F76-L80 WeakPolarHBondContact O-CB 3.32Å; F76-L80 PolarHBondContact O-N 3.18Å; S77-L80 PolarHBondContact O-N 2.94Å; L80-L83 HydrophobicContact CD1-CD1 4.41Å; L80-L83 PolarHBondContact O-N 3.17Å; L80-Y84 HydrophobicContact CD1-CE2 4.32Å; L80-Y84 VanDerWaalsContact O-CD2 3.31Å; L80-Y84 WeakPolarHBondContact O-CD2 3.34Å; L80-Y84 PolarHBondContact O-N 3.16Å
81D88.9Confident87.7Confident61 Ų6129.8 Ų29.833%0.32617%0.166SC..Hα-helixtrans-72.4-35.3173.5-74.5-24.4000112.3R18 S77 I78 I79 L83 Y84 S85R18-D81 IonicContact CZ-OD1 3.31Å; R18-D81 VanDerWaalsContact CZ-OD1 3.26Å; R18-D81 IonicContact NH1-OD1 3.68Å; R18-D81 PolarHBondContact NH1-OD1 2.9Å; R18-D81 IonicContact NH2-OD1 3.55Å; R18-D81 PolarHBondContact NH2-OD1 3.01Å; S77-D81 WeakPolarHBondContact O-CB 3.37Å; S77-D81 PolarHBondContact O-N 3.26Å; I78-D81 PolarHBondContact O-N 3.1Å; I79-D81 VanDerWaalsContact C-N 3.31Å; I79-D81 PolarHBondContact O-N 3.27Å; D81-L83 PolarHBondContact O-N 2.84Å; D81-Y84 CarbonylContact O-C 3.59Å; D81-Y84 PolarHBondContact O-N 3.37Å; D81-S85 VanDerWaalsContact O-CB 3.25Å; D81-S85 WeakPolarHBondContact O-CB 3.45Å; D81-S85 PolarHBondContact O-N 3.05Å; D81-S85 PolarHBondContact O-OG 3.48Å
82F88.8Confident87Confident13 Ų1332.1 Ų32.16%0.05719%0.191CC..Hα-helixtrans-58.7-45168.3165.3-108.2000112.1I78 I79 Y84 S85 G86 K87 L88 M107 V110 L269I78-F82 WeakPolarHBondContact O-CB 3.41Å; I78-F82 PolarHBondContact O-N 2.85Å; I79-F82 WeakPolarHBondContact O-CB 3.47Å; I79-F82 PolarHBondContact O-N 3.16Å; F82-Y84 PolarHBondContact O-N 3.04Å; F82-S85 PolarHBondContact O-N 3.47Å; F82-G86 WeakPolarHBondContact CE2-O 3.47Å; F82-G86 WeakPolarHBondContact O-CA 3.24Å; F82-G86 PolarHBondContact O-N 3.31Å; F82-K87 WeakPolarHBondContact CA-O 3.4Å; F82-L88 HydrophobicContact CB-CB 4.45Å; F82-L88 HydrophobicContact CB-CD1 3.72Å; F82-L88 HydrophobicContact CD2-CB 3.81Å; F82-L88 HydrophobicContact CD2-CD1 4.4Å; F82-L88 HydrophobicContact CE2-CB 4.43Å; F82-L88 HydrophobicContact CG-CB 4.23Å; F82-L88 HydrophobicContact CG-CD1 3.95Å; F82-M107 HydrophobicContact CD1-CE 4.01Å; F82-M107 HydrophobicContact CE1-CE 3.8Å; F82-V110 HydrophobicContact CD1-CG2 3.79Å; F82-V110 HydrophobicContact CE1-CG2 3.34Å; F82-V110 HydrophobicContact CZ-CG2 3.97Å; F82-L269 HydrophobicContact CE2-CB 3.9Å; F82-L269 HydrophobicContact CZ-CB 4.28Å; F82-L269 HydrophobicContact CZ-CD2 4.3Å
83L87.9Confident86.5Confident3 Ų338.5 Ų38.52%0.01622%0.218CC..Hα-helixtrans-58.6-22.4178-67.4-174.7000114.2I41 L42 N45 F49 I79 L80 D81 M107I41-L83 HydrophobicContact CG2-CB 4.02Å; L42-L83 HydrophobicContact CD2-CD1 3.68Å; N45-L83 HydrophobicContact CB-CD2 3.27Å; F49-L83 HydrophobicContact CE2-CD1 4.4Å; I79-L83 HydrophobicContact CG2-CG 4.49Å; I79-L83 VanDerWaalsContact O-CG 3.31Å; I79-L83 WeakPolarHBondContact O-CG 3.23Å; I79-L83 PolarHBondContact O-N 2.82Å; L80-L83 HydrophobicContact CD1-CD1 4.41Å; L80-L83 PolarHBondContact O-N 3.17Å; D81-L83 PolarHBondContact O-N 2.84Å; L83-M107 HydrophobicContact CD2-CE 3.49Å; L83-M107 VanDerWaalsContact CD2-CE 3.49Å; L83-M107 HydrophobicContact CD2-SD 4.41Å; L83-M107 HydrophobicContact CG-CE 4.46Å
84Y87.1Confident86.3Confident0 Ų040.4 Ų40.40%023%0.228CC..Hα-helixtrans-116.7-4.5-173.7-85-88.9000114.5L11 L14 N15 R18 H38 I41 L80 D81 F82L11-Y84 CarbonylContact C-O 3.52Å; L11-Y84 WeakPolarHBondContact CG-O 3.37Å; L14-Y84 HydrophobicContact CB-CD1 4.3Å; L14-Y84 HydrophobicContact CB-CE1 4.17Å; N15-Y84 HydrophobicContact CB-CD1 4Å; N15-Y84 HydrophobicContact CB-CG 4.38Å; R18-Y84 HydrophobicContact CB-CD1 4.43Å; R18-Y84 HydrophobicContact CB-CE1 3.89Å; R18-Y84 HydrophobicContact CG-CE1 4.29Å; R18-Y84 HydrophobicContact CG-CE2 4.38Å; H38-Y84 VanDerWaalsContact CB-OH 3.32Å; H38-Y84 WeakPolarHBondContact CB-OH 3.4Å; H38-Y84 VanDerWaalsContact CG-OH 3.29Å; H38-Y84 PolarHBondContact N-OH 3.34Å; H38-Y84 AromaticContact ND1-CE1 3.44Å; H38-Y84 WeakPolarHBondContact ND1-CE1 3.36Å; H38-Y84 AromaticContact ND1-CZ 3.56Å; H38-Y84 PolarHBondContact ND1-OH 3.04Å; I41-Y84 HydrophobicContact CB-CE2 4.26Å; I41-Y84 HydrophobicContact CG1-CE1 4.17Å; I41-Y84 HydrophobicContact CG2-CD2 4.01Å; I41-Y84 HydrophobicContact CG2-CE1 4.49Å; I41-Y84 HydrophobicContact CG2-CE2 3.7Å; L80-Y84 HydrophobicContact CD1-CE2 4.32Å; L80-Y84 VanDerWaalsContact O-CD2 3.31Å; L80-Y84 WeakPolarHBondContact O-CD2 3.34Å; L80-Y84 PolarHBondContact O-N 3.16Å; D81-Y84 CarbonylContact O-C 3.59Å; D81-Y84 PolarHBondContact O-N 3.37Å; F82-Y84 PolarHBondContact O-N 3.04Å
85S83.2Confident86.1Confident47 Ų4736.2 Ų36.233%0.32921%0.206SC..Hα-helixtrans-123.2-20.7176.967.80000113.3D81 F82 K87D81-S85 VanDerWaalsContact O-CB 3.25Å; D81-S85 WeakPolarHBondContact O-CB 3.45Å; D81-S85 PolarHBondContact O-N 3.05Å; D81-S85 PolarHBondContact O-OG 3.48Å; F82-S85 PolarHBondContact O-N 3.47Å; S85-K87 PolarHBondContact O-N 2.66Å; S85-K87 PolarHBondContact OG-N 2.97Å; S85-K87 VanDerWaalsContact OG-N 3.16Å; S85-K87 PolarHBondContact OG-O 3.44Å
86G77.6Confident86Confident2 Ų241.4 Ų41.42%0.02123%0.233CC..SBendtrans75.8-3.2-171.500000114.8F82 L269 A270F82-G86 WeakPolarHBondContact CE2-O 3.47Å; F82-G86 WeakPolarHBondContact O-CA 3.24Å; F82-G86 PolarHBondContact O-N 3.31Å; G86-L269 PolarHBondContact O-N 3.3Å; G86-A270 PolarHBondContact O-N 3.41Å
87K80.8Confident85.8Confident112 Ų11245.7 Ų45.749%0.48725%0.252SS..EExtended strand (participates in β ladder)trans-109.9132.4-175.7-61.5-178.6-178-176.10110F82 S85F82-K87 WeakPolarHBondContact CA-O 3.4Å; S85-K87 PolarHBondContact O-N 2.66Å; S85-K87 PolarHBondContact OG-N 2.97Å; S85-K87 VanDerWaalsContact OG-N 3.16Å; S85-K87 PolarHBondContact OG-O 3.44Å
88L85.4Confident85.8Confident1 Ų143.8 Ų43.81%0.00524%0.239CC..EExtended strand (participates in β ladder)trans-113.5110.3179.2-173.273.6000109.5I78 F82 L90 V98 V110 F113I78-L88 HydrophobicContact CG2-CD1 4.06Å; F82-L88 HydrophobicContact CB-CB 4.45Å; F82-L88 HydrophobicContact CB-CD1 3.72Å; F82-L88 HydrophobicContact CD2-CB 3.81Å; F82-L88 HydrophobicContact CD2-CD1 4.4Å; F82-L88 HydrophobicContact CE2-CB 4.43Å; F82-L88 HydrophobicContact CG-CB 4.23Å; F82-L88 HydrophobicContact CG-CD1 3.95Å; L88-L90 HydrophobicContact CD1-CD2 4.49Å; L88-L90 HydrophobicContact CD2-CD1 4.08Å; L88-L90 HydrophobicContact CD2-CD2 4.04Å; L88-L90 HydrophobicContact CD2-CG 4.06Å; L88-L90 HydrophobicContact CG-CD2 3.98Å; L88-L90 HydrophobicContact CG-CG 4.06Å; L88-L90 PolarHBondContact O-N 3.45Å; L88-V98 HydrophobicContact CD1-CG1 4.24Å; L88-V110 HydrophobicContact CD1-CG1 4.42Å; L88-V110 HydrophobicContact CD2-CG1 3.79Å; L88-F113 HydrophobicContact CD2-CD1 3.7Å; L88-F113 HydrophobicContact CD2-CE1 4.2Å
89D80.7Confident85.9Confident88 Ų8844 Ų4447%0.47124%0.24SC..  trans-94.2101.3-175.9-62-27.1000109.9T266D89-T266 VanDerWaalsContact OD1-CG2 3.3Å; D89-T266 WeakPolarHBondContact OD1-CG2 3.46Å
90L85.6Confident86Confident5 Ų547.5 Ų47.53%0.02626%0.264CS..  trans-104.6138.7-179-61.7-177.1000112.6L88 V95 V98 F113 C114 Y117L88-L90 HydrophobicContact CD1-CD2 4.49Å; L88-L90 HydrophobicContact CD2-CD1 4.08Å; L88-L90 HydrophobicContact CD2-CD2 4.04Å; L88-L90 HydrophobicContact CD2-CG 4.06Å; L88-L90 HydrophobicContact CG-CD2 3.98Å; L88-L90 HydrophobicContact CG-CG 4.06Å; L88-L90 PolarHBondContact O-N 3.45Å; L90-V95 HydrophobicContact CD1-CG2 3.92Å; L90-V95 HydrophobicContact CD2-CG2 4.46Å; L90-V98 HydrophobicContact CD2-CB 4.09Å; L90-V98 HydrophobicContact CD2-CG1 3.8Å; L90-V98 HydrophobicContact CD2-CG2 4.42Å; L90-F113 HydrophobicContact CD1-CD1 3.63Å; L90-F113 HydrophobicContact CD1-CE1 3.64Å; L90-F113 HydrophobicContact CG-CE1 4.28Å; L90-C114 HydrophobicContact CD1-CB 4.43Å; L90-Y117 HydrophobicContact CB-CD1 4.47Å; L90-Y117 HydrophobicContact CB-CD2 4.15Å; L90-Y117 HydrophobicContact CB-CE1 4.35Å; L90-Y117 HydrophobicContact CB-CE2 4Å; L90-Y117 HydrophobicContact CB-CG 4.37Å; L90-Y117 HydrophobicContact CD1-CD2 4.4Å; L90-Y117 HydrophobicContact CD1-CG 4.11Å; L90-Y117 PolarHBondContact O-OH 3Å; L90-Y117 VanDerWaalsContact O-OH 3.08Å
91C79.8Confident86.1Confident62 Ų6247.2 Ų47.242%0.41926%0.263SS..  trans-123.3161.3172.3-169.80000109.9E93 N94 V95 Y117C91-E93 PolarHBondContact O-N 3.45Å; C91-N94 PolarHBondContact N-OD1 2.84Å; C91-N94 PolarHBondContact O-N 2.87Å; C91-N94 PolarHBondContact O-OD1 2.9Å; C91-N94 VanDerWaalsContact O-OD1 3.07Å; C91-V95 WeakPolarHBondContact O-CB 3.48Å; C91-V95 WeakPolarHBondContact O-CG1 3.41Å; C91-V95 PolarHBondContact O-N 2.82Å; C91-Y117 WeakPolarHBondContact CA-OH 3.5Å
92G75.6Confident86.2Confident54 Ų5444.3 Ų44.356%0.55725%0.248SC*.THydrogen-bonded Turntrans-59.3-29.9178.700000114
93E81.2Confident86.4Confident177 Ų17747.3 Ų47.383%0.82727%0.27SS*.THydrogen-bonded Turntrans-79-43.2-179.5-63.6172.6176.200112.4C91C91-E93 PolarHBondContact O-N 3.45Å
94N86.4Confident86.6Confident41 Ų4150.7 Ų50.722%0.21928%0.283CS..THydrogen-bonded Turntrans-93.4-15.3-17270.410.3000114.6I78 C91 I96 E97 V98I78-N94 HydrophobicContact CD1-CB 4.27Å; I78-N94 WeakPolarHBondContact CD1-ND2 3.33Å; C91-N94 PolarHBondContact N-OD1 2.84Å; C91-N94 PolarHBondContact O-N 2.87Å; C91-N94 PolarHBondContact O-OD1 2.9Å; C91-N94 VanDerWaalsContact O-OD1 3.07Å; N94-I96 VanDerWaalsContact C-N 3.27Å; N94-I96 PolarHBondContact O-N 3.49Å; N94-E97 PolarHBondContact O-N 2.91Å; N94-E97 VanDerWaalsContact O-N 3.16Å; N94-V98 WeakPolarHBondContact O-CG2 3.42Å; N94-V98 PolarHBondContact O-N 3.07Å
95V88.4Confident86.8Confident6 Ų650.7 Ų50.74%0.03628%0.283CS..Hα-helixtrans-61-32-172.462.20000113.8L90 C91 M99 C114 Y117 I118L90-V95 HydrophobicContact CD1-CG2 3.92Å; L90-V95 HydrophobicContact CD2-CG2 4.46Å; C91-V95 WeakPolarHBondContact O-CB 3.48Å; C91-V95 WeakPolarHBondContact O-CG1 3.41Å; C91-V95 PolarHBondContact O-N 2.82Å; V95-M99 WeakPolarHBondContact O-CB 3.43Å; V95-M99 PolarHBondContact O-N 2.87Å; V95-C114 HydrophobicContact CG2-CB 3.97Å; V95-Y117 HydrophobicContact CB-CD1 4.23Å; V95-Y117 HydrophobicContact CB-CE1 4.28Å; V95-Y117 HydrophobicContact CG1-CD1 4.33Å; V95-Y117 HydrophobicContact CG1-CE1 4.26Å; V95-Y117 HydrophobicContact CG2-CD1 3.87Å; V95-Y117 HydrophobicContact CG2-CE1 4.41Å; V95-I118 HydrophobicContact CG1-CD1 4.46Å; V95-I118 HydrophobicContact CG1-CG1 4.07Å; V95-I118 HydrophobicContact CG2-CD1 4.06Å; V95-I118 HydrophobicContact CG2-CG1 3.91Å
96I88.5Confident87.1Confident110 Ų11053.8 Ų53.856%0.56429%0.293SS*.Hα-helixtrans-71.2-42.7179.1-58.9177.5000110.6N94 M99 S100N94-I96 VanDerWaalsContact C-N 3.27Å; N94-I96 PolarHBondContact O-N 3.49Å; I96-M99 PolarHBondContact O-N 3Å; I96-S100 PolarHBondContact O-N 3.24Å
97E91Very high87.6Confident90 Ų9054.2 Ų54.242%0.42129%0.294SS..Hα-helixtrans-67.6-45.6176.7-62.8-168.3-168.700111.8T72 A75 N94 M99 S100 A101T72-E97 PolarHBondContact OG1-OE2 3.41Å; A75-E97 HydrophobicContact CB-CB 4.04Å; N94-E97 PolarHBondContact O-N 2.91Å; N94-E97 VanDerWaalsContact O-N 3.16Å; E97-M99 VanDerWaalsContact C-N 3.28Å; E97-M99 PolarHBondContact O-N 2.84Å; E97-S100 PolarHBondContact O-N 3.24Å; E97-S100 PolarHBondContact O-OG 3.09Å; E97-A101 VanDerWaalsContact O-CB 3.27Å; E97-A101 WeakPolarHBondContact O-CB 3.32Å; E97-A101 PolarHBondContact O-N 3.23Å
98V92.3Very high87.9Confident0 Ų054.1 Ų54.10%030%0.299CS..Hα-helixtrans-61.5-38.9175.9175.90000110.7A75 I78 I79 L88 L90 N94 A102A75-V98 HydrophobicContact CB-CG2 4.21Å; I78-V98 HydrophobicContact CB-CG2 4.14Å; I78-V98 HydrophobicContact CD1-CG2 3.73Å; I78-V98 HydrophobicContact CG2-CG1 4.38Å; I78-V98 HydrophobicContact CG2-CG2 3.99Å; I79-V98 HydrophobicContact CG1-CG1 4.18Å; L88-V98 HydrophobicContact CD1-CG1 4.24Å; L90-V98 HydrophobicContact CD2-CB 4.09Å; L90-V98 HydrophobicContact CD2-CG1 3.8Å; L90-V98 HydrophobicContact CD2-CG2 4.42Å; N94-V98 WeakPolarHBondContact O-CG2 3.42Å; N94-V98 PolarHBondContact O-N 3.07Å; V98-A102 WeakPolarHBondContact O-CB 3.31Å; V98-A102 PolarHBondContact O-N 2.6Å
99M92.6Very high88Confident45 Ų4557.7 Ų57.722%0.22232%0.318CS..Hα-helixtrans-66.1-40.6174.8-174.3175.559.800112.7V95 I96 E97 S103 V111 C114 K115 I118V95-M99 WeakPolarHBondContact O-CB 3.43Å; V95-M99 PolarHBondContact O-N 2.87Å; I96-M99 PolarHBondContact O-N 3Å; E97-M99 VanDerWaalsContact C-N 3.28Å; E97-M99 PolarHBondContact O-N 2.84Å; M99-S103 WeakPolarHBondContact O-CB 3.19Å; M99-S103 PolarHBondContact O-N 2.91Å; M99-V111 HydrophobicContact CG-CG1 4.34Å; M99-C114 HydrophobicContact CB-CB 3.68Å; M99-C114 HydrophobicContact CG-CB 3.81Å; M99-C114 HydrophobicContact SD-CB 4.03Å; M99-K115 HydrophobicContact SD-CG 3.93Å; M99-I118 HydrophobicContact CE-CD1 3.81Å; M99-I118 HydrophobicContact SD-CD1 3.96Å
100S93.1Very high88.3Confident73 Ų7353.6 Ų53.651%0.5130%0.296SS..Hα-helixtrans-69.2-43.3179.174.10000111.2I96 E97 S103 Y104I96-S100 PolarHBondContact O-N 3.24Å; E97-S100 PolarHBondContact O-N 3.24Å; E97-S100 PolarHBondContact O-OG 3.09Å; S100-S103 WeakPolarHBondContact O-CB 3.23Å; S100-S103 PolarHBondContact O-N 3.25Å; S100-Y104 PolarHBondContact O-N 3.22Å
101A93.4Very high88.5Confident2 Ų253.7 Ų53.72%0.01730%0.297CS..Hα-helixtrans-61.6-46.3174.100000112V71 A75 I79 E97 S103 Y104 L105V71-A101 HydrophobicContact CG1-CB 3.63Å; V71-A101 HydrophobicContact CG2-CB 4.39Å; A75-A101 HydrophobicContact CB-CB 4.13Å; I79-A101 HydrophobicContact CD1-CB 3.53Å; E97-A101 VanDerWaalsContact O-CB 3.27Å; E97-A101 WeakPolarHBondContact O-CB 3.32Å; E97-A101 PolarHBondContact O-N 3.23Å; A101-S103 VanDerWaalsContact C-N 3.3Å; A101-S103 PolarHBondContact O-N 2.85Å; A101-Y104 WeakPolarHBondContact O-CB 3.23Å; A101-Y104 PolarHBondContact O-N 3.46Å; A101-L105 WeakPolarHBondContact O-CB 3.25Å; A101-L105 WeakPolarHBondContact O-CG 3.19Å; A101-L105 PolarHBondContact O-N 3.45Å
102A91.6Very high88.9Confident0 Ų054.5 Ų54.50%030%0.297CS..Hα-helixtrans-63.2-35.8175.300000112.2I79 V98 L105 Q106 M107 V110 V111I79-A102 HydrophobicContact CD1-CB 4.18Å; V98-A102 WeakPolarHBondContact O-CB 3.31Å; V98-A102 PolarHBondContact O-N 2.6Å; A102-L105 CarbonylContact O-C 3.57Å; A102-L105 PolarHBondContact O-N 3.32Å; A102-Q106 PolarHBondContact O-N 3.06Å; A102-Q106 VanDerWaalsContact O-N 3.09Å; A102-M107 HydrophobicContact CB-CB 4.29Å; A102-M107 PolarHBondContact O-N 3.47Å; A102-V110 HydrophobicContact CB-CB 3.93Å; A102-V110 HydrophobicContact CB-CG1 3.44Å; A102-V110 VanDerWaalsContact CB-CG1 3.44Å; A102-V111 HydrophobicContact CB-CG2 3.73Å
103S92.9Very high89.4Confident76 Ų7653.4 Ų53.453%0.53128%0.277SS..Hα-helixtrans-67.7-40174.9-168.90000112M99 S100 A101 Q106 V111M99-S103 WeakPolarHBondContact O-CB 3.19Å; M99-S103 PolarHBondContact O-N 2.91Å; S100-S103 WeakPolarHBondContact O-CB 3.23Å; S100-S103 PolarHBondContact O-N 3.25Å; A101-S103 VanDerWaalsContact C-N 3.3Å; A101-S103 PolarHBondContact O-N 2.85Å; S103-Q106 PolarHBondContact O-N 3.45Å; S103-V111 VanDerWaalsContact N-CG2 3.34Å
104Y91.8Very high89.8Confident73 Ų7345 Ų4529%0.28624%0.238SC..Hα-helixtrans-63.3-44.3174.1-179.1-99.9000111.6Y48 L68 I70 V71 S100 A101 Q106Y48-Y104 HydrophobicContact CE1-CE1 4.06Å; Y48-Y104 AromaticContact CZ-CE1 3.87Å; Y48-Y104 PolarHBondContact OH-OH 2.97Å; Y48-Y104 VanDerWaalsContact OH-OH 3.05Å; L68-Y104 HydrophobicContact CD2-CE1 4.1Å; I70-Y104 HydrophobicContact CB-CE2 4.22Å; I70-Y104 HydrophobicContact CD1-CD2 4.44Å; I70-Y104 HydrophobicContact CD1-CE2 3.62Å; I70-Y104 HydrophobicContact CG1-CE2 4.49Å; I70-Y104 HydrophobicContact CG2-CD2 4.2Å; I70-Y104 HydrophobicContact CG2-CE2 4.32Å; V71-Y104 HydrophobicContact CG2-CD1 3.63Å; V71-Y104 HydrophobicContact CG2-CE1 4.17Å; V71-Y104 HydrophobicContact CG2-CG 4.28Å; S100-Y104 PolarHBondContact O-N 3.22Å; A101-Y104 WeakPolarHBondContact O-CB 3.23Å; A101-Y104 PolarHBondContact O-N 3.46Å; Y104-Q106 PolarHBondContact O-N 2.76Å
105L90.9Very high89.9Confident0 Ų046.9 Ų46.90%024%0.244CC..THydrogen-bonded Turntrans-76.76.3176.3-62.9176.4000113.9S46 Y48 F49 L68 F76 I79 A101 A102 M107S46-L105 WeakPolarHBondContact CB-O 2.99Å; S46-L105 PolarHBondContact OG-O 2.83Å; Y48-L105 HydrophobicContact CD1-CD2 3.75Å; Y48-L105 HydrophobicContact CE1-CD2 4.03Å; F49-L105 HydrophobicContact CE1-CD2 3.67Å; F49-L105 HydrophobicContact CE2-CD1 4.3Å; F49-L105 HydrophobicContact CE2-CD2 4.3Å; F49-L105 HydrophobicContact CZ-CD1 3.77Å; F49-L105 HydrophobicContact CZ-CD2 3.53Å; F49-L105 HydrophobicContact CZ-CG 4.19Å; L68-L105 HydrophobicContact CD1-CD2 4.2Å; L68-L105 HydrophobicContact CD2-CD2 4.3Å; F76-L105 HydrophobicContact CD2-CD1 4.38Å; F76-L105 HydrophobicContact CE2-CD1 4.37Å; I79-L105 HydrophobicContact CD1-CD1 4.18Å; I79-L105 HydrophobicContact CG2-CD1 4.14Å; A101-L105 WeakPolarHBondContact O-CB 3.25Å; A101-L105 WeakPolarHBondContact O-CG 3.19Å; A101-L105 PolarHBondContact O-N 3.45Å; A102-L105 CarbonylContact O-C 3.57Å; A102-L105 PolarHBondContact O-N 3.32Å; L105-M107 HydrophobicContact CB-CG 4.18Å; L105-M107 HydrophobicContact CB-SD 4.32Å; L105-M107 PolarHBondContact O-N 3.16Å
106Q90.3Very high89.8Confident113 Ų11350.6 Ų50.653%0.52827%0.267SS..THydrogen-bonded Turntrans58.227.9177.9-54.2179.95.200114.7A102 S103 Y104 N108A102-Q106 PolarHBondContact O-N 3.06Å; A102-Q106 VanDerWaalsContact O-N 3.09Å; S103-Q106 PolarHBondContact O-N 3.45Å; Y104-Q106 PolarHBondContact O-N 2.76Å; Q106-N108 PolarHBondContact O-N 3.36Å; Q106-N108 VanDerWaalsContact O-N 3.16Å
107M87.8Confident89.7Confident10 Ų1047 Ų475%0.04925%0.246CC..  trans-88.174.7179.6-64.7-178.269.600110.9N45 I79 F82 L83 A102 L105 D109 V110 V111N45-M107 HydrophobicContact CB-CE 4.41Å; I79-M107 HydrophobicContact CG2-CE 4.33Å; I79-M107 HydrophobicContact CG2-SD 3.74Å; F82-M107 HydrophobicContact CD1-CE 4.01Å; F82-M107 HydrophobicContact CE1-CE 3.8Å; L83-M107 HydrophobicContact CD2-CE 3.49Å; L83-M107 VanDerWaalsContact CD2-CE 3.49Å; L83-M107 HydrophobicContact CD2-SD 4.41Å; L83-M107 HydrophobicContact CG-CE 4.46Å; A102-M107 HydrophobicContact CB-CB 4.29Å; A102-M107 PolarHBondContact O-N 3.47Å; L105-M107 HydrophobicContact CB-CG 4.18Å; L105-M107 HydrophobicContact CB-SD 4.32Å; L105-M107 PolarHBondContact O-N 3.16Å; M107-D109 VanDerWaalsContact C-N 3.28Å; M107-D109 PolarHBondContact O-N 2.94Å; M107-V110 HydrophobicContact CB-CB 4.19Å; M107-V110 HydrophobicContact CB-CG2 4.29Å; M107-V110 HydrophobicContact CE-CG2 3.85Å; M107-V110 PolarHBondContact O-N 3.36Å; M107-V111 WeakPolarHBondContact O-CG2 3.2Å; M107-V111 PolarHBondContact O-N 3.39Å
108N87.7Confident89.5Confident110 Ų11044.6 Ų44.659%0.58824%0.236SC*.Hα-helixtrans-55.9-36.3-173.1-71.3-49.4000114.4Q106 V111 N112Q106-N108 PolarHBondContact O-N 3.36Å; Q106-N108 VanDerWaalsContact O-N 3.16Å; N108-V111 PolarHBondContact O-N 3.35Å; N108-N112 WeakPolarHBondContact O-CB 3.22Å; N108-N112 PolarHBondContact O-N 2.9Å; N108-N112 PolarHBondContact O-ND2 3.38Å
109D85.5Confident89.2Confident77 Ų7751.6 Ų51.641%0.41226%0.263SS..Hα-helixtrans-65.2-46-179.4-55.6-41.2000111.2M107 N112 F113 L269M107-D109 VanDerWaalsContact C-N 3.28Å; M107-D109 PolarHBondContact O-N 2.94Å; D109-N112 PolarHBondContact O-N 2.85Å; D109-F113 WeakPolarHBondContact O-CB 3.16Å; D109-F113 PolarHBondContact O-N 2.62Å; D109-L269 HydrophobicContact CB-CD2 4.47Å
110V88Confident88.9Confident2 Ų251.6 Ų51.61%0.01227%0.267CS..Hα-helixtrans-61.9-43.9174.4174.40000110.9F82 L88 A102 M107 N112 F113 C114F82-V110 HydrophobicContact CD1-CG2 3.79Å; F82-V110 HydrophobicContact CE1-CG2 3.34Å; F82-V110 HydrophobicContact CZ-CG2 3.97Å; L88-V110 HydrophobicContact CD1-CG1 4.42Å; L88-V110 HydrophobicContact CD2-CG1 3.79Å; A102-V110 HydrophobicContact CB-CB 3.93Å; A102-V110 HydrophobicContact CB-CG1 3.44Å; A102-V110 VanDerWaalsContact CB-CG1 3.44Å; M107-V110 HydrophobicContact CB-CB 4.19Å; M107-V110 HydrophobicContact CB-CG2 4.29Å; M107-V110 HydrophobicContact CE-CG2 3.85Å; M107-V110 PolarHBondContact O-N 3.36Å; V110-N112 VanDerWaalsContact C-N 3.35Å; V110-N112 PolarHBondContact O-N 3.06Å; V110-F113 PolarHBondContact O-N 2.81Å; V110-C114 PolarHBondContact O-N 3.32Å; V110-C114 PolarHBondContact O-SG 2.8Å
111V89.5Confident88.3Confident7 Ų750.2 Ų50.24%0.04226%0.257CS..Hα-helixtrans-61.7-42.2176.5171.80000111.5M99 A102 S103 M107 N108 C114 K115M99-V111 HydrophobicContact CG-CG1 4.34Å; A102-V111 HydrophobicContact CB-CG2 3.73Å; S103-V111 VanDerWaalsContact N-CG2 3.34Å; M107-V111 WeakPolarHBondContact O-CG2 3.2Å; M107-V111 PolarHBondContact O-N 3.39Å; N108-V111 PolarHBondContact O-N 3.35Å; V111-C114 PolarHBondContact O-N 2.64Å; V111-K115 HydrophobicContact CG1-CD 4.3Å; V111-K115 VanDerWaalsContact CG1-CE 3.46Å; V111-K115 VanDerWaalsContact O-CG 3.28Å; V111-K115 WeakPolarHBondContact O-CG 3Å; V111-K115 PolarHBondContact O-N 2.76Å
112N88.6Confident87.4Confident79 Ų7954.2 Ų54.242%0.42228%0.278SS..Hα-helixtrans-70.5-34.4178.7-71.3-26.5000112.3N108 D109 V110 K115 T116N108-N112 WeakPolarHBondContact O-CB 3.22Å; N108-N112 PolarHBondContact O-N 2.9Å; N108-N112 PolarHBondContact O-ND2 3.38Å; D109-N112 PolarHBondContact O-N 2.85Å; V110-N112 VanDerWaalsContact C-N 3.35Å; V110-N112 PolarHBondContact O-N 3.06Å; N112-K115 PolarHBondContact OD1-NZ 2.93Å; N112-T116 WeakPolarHBondContact O-CB 3.44Å; N112-T116 PolarHBondContact O-N 3.19Å; N112-T116 VanDerWaalsContact O-N 3.11Å; N112-T116 PolarHBondContact O-OG1 3.48Å
113F86.9Confident86.7Confident30 Ų3058.5 Ų58.513%0.13230%0.301CS..Hα-helixtrans-62.8-49.5170-173.9-94000111.6L88 L90 D109 V110 K115 T116 Y117 V267 L269L88-F113 HydrophobicContact CD2-CD1 3.7Å; L88-F113 HydrophobicContact CD2-CE1 4.2Å; L90-F113 HydrophobicContact CD1-CD1 3.63Å; L90-F113 HydrophobicContact CD1-CE1 3.64Å; L90-F113 HydrophobicContact CG-CE1 4.28Å; D109-F113 WeakPolarHBondContact O-CB 3.16Å; D109-F113 PolarHBondContact O-N 2.62Å; V110-F113 PolarHBondContact O-N 2.81Å; F113-K115 VanDerWaalsContact C-N 3.35Å; F113-K115 PolarHBondContact O-N 3.44Å; F113-T116 CarbonylContact O-C 3.57Å; F113-T116 WeakPolarHBondContact O-CA 3.13Å; F113-T116 WeakPolarHBondContact O-CB 3.47Å; F113-T116 PolarHBondContact O-N 3.37Å; F113-Y117 PolarHBondContact O-N 3.5Å; F113-V267 HydrophobicContact CE2-CB 3.62Å; F113-V267 HydrophobicContact CE2-CG1 3.92Å; F113-V267 HydrophobicContact CE2-CG2 3.69Å; F113-V267 HydrophobicContact CZ-CB 3.68Å; F113-V267 HydrophobicContact CZ-CG1 4.48Å; F113-V267 HydrophobicContact CZ-CG2 3.64Å; F113-L269 HydrophobicContact CB-CD2 4.12Å; F113-L269 HydrophobicContact CD2-CD1 4.22Å; F113-L269 HydrophobicContact CG-CD2 4.41Å
114C88.3Confident86Confident0 Ų058.9 Ų58.90%030%0.296CS..Hα-helixtrans-57-45.2176.3-63.70000112.1L90 V95 M99 V110 V111 T116 Y117 I118L90-C114 HydrophobicContact CD1-CB 4.43Å; V95-C114 HydrophobicContact CG2-CB 3.97Å; M99-C114 HydrophobicContact CB-CB 3.68Å; M99-C114 HydrophobicContact CG-CB 3.81Å; M99-C114 HydrophobicContact SD-CB 4.03Å; V110-C114 PolarHBondContact O-N 3.32Å; V110-C114 PolarHBondContact O-SG 2.8Å; V111-C114 PolarHBondContact O-N 2.64Å; C114-T116 PolarHBondContact O-N 2.81Å; C114-Y117 PolarHBondContact O-N 3.31Å; C114-I118 VanDerWaalsContact O-CG1 3.28Å; C114-I118 WeakPolarHBondContact O-CG1 3.27Å; C114-I118 PolarHBondContact O-N 2.9Å
115K88.4Confident85Confident82 Ų8258.5 Ų58.536%0.35730%0.303SS..Hα-helixtrans-59.3-30.4173.6-71168.3-171.7160.80113M99 V111 N112 F113 R119M99-K115 HydrophobicContact SD-CG 3.93Å; V111-K115 HydrophobicContact CG1-CD 4.3Å; V111-K115 VanDerWaalsContact CG1-CE 3.46Å; V111-K115 VanDerWaalsContact O-CG 3.28Å; V111-K115 WeakPolarHBondContact O-CG 3Å; V111-K115 PolarHBondContact O-N 2.76Å; N112-K115 PolarHBondContact OD1-NZ 2.93Å; F113-K115 VanDerWaalsContact C-N 3.35Å; F113-K115 PolarHBondContact O-N 3.44Å; K115-R119 VanDerWaalsContact O-CG 3.32Å; K115-R119 WeakPolarHBondContact O-CG 3.13Å; K115-R119 PolarHBondContact O-N 2.94Å; K115-R119 PolarHBondContact O-NH1 2.88Å
116T87.4Confident84.5Confident83 Ų8364.8 Ų64.851%0.50933%0.327SS..Hα-helixtrans-80.6-42.6-179.4-56.40000110.7N112 F113 C114 I118 R119 S120N112-T116 WeakPolarHBondContact O-CB 3.44Å; N112-T116 PolarHBondContact O-N 3.19Å; N112-T116 VanDerWaalsContact O-N 3.11Å; N112-T116 PolarHBondContact O-OG1 3.48Å; F113-T116 CarbonylContact O-C 3.57Å; F113-T116 WeakPolarHBondContact O-CA 3.13Å; F113-T116 WeakPolarHBondContact O-CB 3.47Å; F113-T116 PolarHBondContact O-N 3.37Å; C114-T116 PolarHBondContact O-N 2.81Å; T116-I118 PolarHBondContact O-N 3.09Å; T116-R119 PolarHBondContact O-N 3.35Å; T116-S120 WeakPolarHBondContact O-CB 3.46Å; T116-S120 PolarHBondContact O-N 3.4Å
117Y86Confident84.2Confident34 Ų3465.4 Ų65.413%0.13333%0.328CS..Hα-helixtrans-55.5-49170.1-178.9-86.7000111.7L90 C91 V95 F113 C114 R119 S120 S121 Q265L90-Y117 HydrophobicContact CB-CD1 4.47Å; L90-Y117 HydrophobicContact CB-CD2 4.15Å; L90-Y117 HydrophobicContact CB-CE1 4.35Å; L90-Y117 HydrophobicContact CB-CE2 4Å; L90-Y117 HydrophobicContact CB-CG 4.37Å; L90-Y117 HydrophobicContact CD1-CD2 4.4Å; L90-Y117 HydrophobicContact CD1-CG 4.11Å; L90-Y117 PolarHBondContact O-OH 3Å; L90-Y117 VanDerWaalsContact O-OH 3.08Å; C91-Y117 WeakPolarHBondContact CA-OH 3.5Å; V95-Y117 HydrophobicContact CB-CD1 4.23Å; V95-Y117 HydrophobicContact CB-CE1 4.28Å; V95-Y117 HydrophobicContact CG1-CD1 4.33Å; V95-Y117 HydrophobicContact CG1-CE1 4.26Å; V95-Y117 HydrophobicContact CG2-CD1 3.87Å; V95-Y117 HydrophobicContact CG2-CE1 4.41Å; F113-Y117 PolarHBondContact O-N 3.5Å; C114-Y117 PolarHBondContact O-N 3.31Å; Y117-R119 VanDerWaalsContact C-N 3.34Å; Y117-R119 PolarHBondContact O-N 2.96Å; Y117-S120 PolarHBondContact O-N 2.88Å; Y117-S121 PolarHBondContact O-N 3.01Å; Y117-S121 PolarHBondContact O-OG 2.79Å; Y117-S121 VanDerWaalsContact O-OG 3.09Å; Y117-Q265 HydrophobicContact CD2-CB 4.48Å; Y117-Q265 HydrophobicContact CE2-CB 4.37Å
118I87.4Confident83.7Confident41 Ų4170.4 Ų70.421%0.2135%0.353CS..Hα-helixtrans-60.5-40.1177.9-67.4163.6000111.9V95 M99 C114 T116 S121 L122V95-I118 HydrophobicContact CG1-CD1 4.46Å; V95-I118 HydrophobicContact CG1-CG1 4.07Å; V95-I118 HydrophobicContact CG2-CD1 4.06Å; V95-I118 HydrophobicContact CG2-CG1 3.91Å; M99-I118 HydrophobicContact CE-CD1 3.81Å; M99-I118 HydrophobicContact SD-CD1 3.96Å; C114-I118 VanDerWaalsContact O-CG1 3.28Å; C114-I118 WeakPolarHBondContact O-CG1 3.27Å; C114-I118 PolarHBondContact O-N 2.9Å; T116-I118 PolarHBondContact O-N 3.09Å; I118-S121 PolarHBondContact O-OG 3.05Å; I118-S121 VanDerWaalsContact O-OG 3.12Å; I118-L122 HydrophobicContact CG2-CD1 3.96Å; I118-L122 WeakPolarHBondContact O-CB 3.15Å; I118-L122 WeakPolarHBondContact O-CD1 3.49Å; I118-L122 WeakPolarHBondContact O-CG 3.32Å; I118-L122 PolarHBondContact O-N 3.27Å; I118-L122 VanDerWaalsContact O-N 3.14Å
119R85.9Confident83.6Confident147 Ų14771.2 Ų71.256%0.55535%0.353SS*.Hα-helixtrans-67.5-45.7176-72.1178.4-164.6112.1-5.1111.5K115 T116 Y117 L122 D123K115-R119 VanDerWaalsContact O-CG 3.32Å; K115-R119 WeakPolarHBondContact O-CG 3.13Å; K115-R119 PolarHBondContact O-N 2.94Å; K115-R119 PolarHBondContact O-NH1 2.88Å; T116-R119 PolarHBondContact O-N 3.35Å; Y117-R119 VanDerWaalsContact C-N 3.34Å; Y117-R119 PolarHBondContact O-N 2.96Å; R119-L122 PolarHBondContact O-N 3Å; R119-D123 WeakPolarHBondContact O-CB 3.48Å; R119-D123 PolarHBondContact O-N 3.44Å
120S85.1Confident83.7Confident44 Ų4474.6 Ų74.631%0.30836%0.364SS..Hα-helixtrans-60-46.5179.1-1720000111.9T116 Y117 D123 I124T116-S120 WeakPolarHBondContact O-CB 3.46Å; T116-S120 PolarHBondContact O-N 3.4Å; Y117-S120 PolarHBondContact O-N 2.88Å; S120-D123 PolarHBondContact O-N 2.87Å; S120-I124 VanDerWaalsContact O-CG1 3.26Å; S120-I124 WeakPolarHBondContact O-CG1 3.46Å; S120-I124 PolarHBondContact O-N 3.45Å
121S80.6Confident83.7Confident44 Ų4479.7 Ų79.731%0.30839%0.387SS..Hα-helixtrans-64.8-43177.858.30000112.1Y117 I118 D123 I124 C125Y117-S121 PolarHBondContact O-N 3.01Å; Y117-S121 PolarHBondContact O-OG 2.79Å; Y117-S121 VanDerWaalsContact O-OG 3.09Å; I118-S121 PolarHBondContact O-OG 3.05Å; I118-S121 VanDerWaalsContact O-OG 3.12Å; S121-D123 VanDerWaalsContact C-N 3.34Å; S121-D123 PolarHBondContact O-N 3.31Å; S121-I124 PolarHBondContact O-N 3.16Å; S121-C125 PolarHBondContact O-N 3.27Å; S121-C125 PolarHBondContact O-SG 3.2Å
122L74.9Confident83.7Confident87 Ų8782.2 Ų82.246%0.45541%0.409SS..Hα-helixtrans-62.6-37.8174.9-72.4171.8000113I118 R119 C125 R126I118-L122 HydrophobicContact CG2-CD1 3.96Å; I118-L122 WeakPolarHBondContact O-CB 3.15Å; I118-L122 WeakPolarHBondContact O-CD1 3.49Å; I118-L122 WeakPolarHBondContact O-CG 3.32Å; I118-L122 PolarHBondContact O-N 3.27Å; I118-L122 VanDerWaalsContact O-N 3.14Å; R119-L122 PolarHBondContact O-N 3Å; L122-C125 PolarHBondContact O-N 3.36Å; L122-R126 WeakPolarHBondContact O-CB 3.37Å; L122-R126 WeakPolarHBondContact O-CD 3.4Å; L122-R126 VanDerWaalsContact O-CG 3.24Å; L122-R126 WeakPolarHBondContact O-CG 3.26Å; L122-R126 PolarHBondContact O-N 2.86Å
123D75.9Confident83.7Confident90 Ų9081.3 Ų81.348%0.48141%0.413SS..Hα-helixtrans-73.3-31.5177.4-71.8-24.3000112.1R119 S120 S121 R126 K127R119-D123 WeakPolarHBondContact O-CB 3.48Å; R119-D123 PolarHBondContact O-N 3.44Å; S120-D123 PolarHBondContact O-N 2.87Å; S121-D123 VanDerWaalsContact C-N 3.34Å; S121-D123 PolarHBondContact O-N 3.31Å; D123-R126 IonicContact OD1-NH1 3.76Å; D123-R126 PolarHBondContact OD1-NH1 3.39Å; D123-R126 VanDerWaalsContact OD1-NH1 3.13Å; D123-K127 WeakPolarHBondContact O-CB 3.28Å; D123-K127 PolarHBondContact O-N 3.16Å
124I78.3Confident83.9Confident84 Ų8484.4 Ų84.443%0.43143%0.434SS..Hα-helixtrans-64.6-49.1168.4-68.6162.8000110.5S120 S121 R126 K127 M128S120-I124 VanDerWaalsContact O-CG1 3.26Å; S120-I124 WeakPolarHBondContact O-CG1 3.46Å; S120-I124 PolarHBondContact O-N 3.45Å; S121-I124 PolarHBondContact O-N 3.16Å; I124-R126 PolarHBondContact O-N 3.33Å; I124-K127 WeakPolarHBondContact O-CB 3.45Å; I124-K127 PolarHBondContact O-N 3.48Å; I124-M128 HydrophobicContact CG2-SD 4.19Å; I124-M128 WeakPolarHBondContact O-CG 3.5Å; I124-M128 PolarHBondContact O-N 3.09Å
125C72.2Confident84Confident65 Ų6587.2 Ų87.244%0.43946%0.457SS..Hα-helixtrans-56.4-48.6176.5-67.20000111.5S121 L122 K127 M128 E129S121-C125 PolarHBondContact O-N 3.27Å; S121-C125 PolarHBondContact O-SG 3.2Å; L122-C125 PolarHBondContact O-N 3.36Å; C125-K127 VanDerWaalsContact C-N 3.25Å; C125-K127 PolarHBondContact O-N 3.06Å; C125-M128 PolarHBondContact O-N 3.21Å; C125-E129 WeakPolarHBondContact O-CG 3.44Å; C125-E129 PolarHBondContact O-N 3.21Å
126R79.5Confident84Confident132 Ų13286.2 Ų86.250%0.49846%0.464SS..Hα-helixtrans-62.2-29.3176-73.7165.9172.9167.5-2.5113.8L122 D123 I124 K130L122-R126 WeakPolarHBondContact O-CB 3.37Å; L122-R126 WeakPolarHBondContact O-CD 3.4Å; L122-R126 VanDerWaalsContact O-CG 3.24Å; L122-R126 WeakPolarHBondContact O-CG 3.26Å; L122-R126 PolarHBondContact O-N 2.86Å; D123-R126 IonicContact OD1-NH1 3.76Å; D123-R126 PolarHBondContact OD1-NH1 3.39Å; D123-R126 VanDerWaalsContact OD1-NH1 3.13Å; I124-R126 PolarHBondContact O-N 3.33Å; R126-K130 WeakPolarHBondContact O-CD 3.46Å; R126-K130 VanDerWaalsContact O-CG 3.23Å; R126-K130 WeakPolarHBondContact O-CG 3.47Å; R126-K130 PolarHBondContact O-N 2.94Å
127K84.1Confident84.2Confident125 Ų12585.1 Ų85.154%0.54346%0.464SS..Hα-helixtrans-71.3-48.4173.9-176.4-175166.2-168.90110D123 I124 C125 E129 K130 E131D123-K127 WeakPolarHBondContact O-CB 3.28Å; D123-K127 PolarHBondContact O-N 3.16Å; I124-K127 WeakPolarHBondContact O-CB 3.45Å; I124-K127 PolarHBondContact O-N 3.48Å; C125-K127 VanDerWaalsContact C-N 3.25Å; C125-K127 PolarHBondContact O-N 3.06Å; K127-E129 PolarHBondContact O-N 3.13Å; K127-K130 PolarHBondContact O-N 3.3Å; K127-E131 WeakPolarHBondContact CE-OE1 3.16Å; K127-E131 IonicContact NZ-OE1 2.7Å; K127-E131 WeakPolarHBondContact O-CG 3.49Å; K127-E131 PolarHBondContact O-N 2.97Å
128M77.9Confident84.3Confident115 Ų11588 Ų8857%0.56749%0.485SS*.Hα-helixtrans-59.8-42.7176.3-67.4179.668.900112.1I124 C125 K130 E131 A132I124-M128 HydrophobicContact CG2-SD 4.19Å; I124-M128 WeakPolarHBondContact O-CG 3.5Å; I124-M128 PolarHBondContact O-N 3.09Å; C125-M128 PolarHBondContact O-N 3.21Å; M128-K130 VanDerWaalsContact C-N 3.34Å; M128-K130 PolarHBondContact O-N 3.47Å; M128-E131 PolarHBondContact O-N 3.05Å; M128-A132 VanDerWaalsContact O-CB 3.24Å; M128-A132 WeakPolarHBondContact O-CB 3.35Å; M128-A132 PolarHBondContact O-N 3.16Å
129E84.1Confident84.4Confident127 Ų12789 Ų8959%0.59350%0.498SS*.Hα-helixtrans-58.8-42.5174.5-74.617117300112.3C125 K127 A133C125-E129 WeakPolarHBondContact O-CG 3.44Å; C125-E129 PolarHBondContact O-N 3.21Å; K127-E129 PolarHBondContact O-N 3.13Å; E129-A133 VanDerWaalsContact O-CB 3.24Å; E129-A133 WeakPolarHBondContact O-CB 3.39Å; E129-A133 PolarHBondContact O-N 3.42Å
130K87.8Confident84.6Confident149 Ų14984.9 Ų84.965%0.64850%0.496SS*.Hα-helixtrans-67.8-43.3176.7-74169.2-173.9175.60112R126 K127 M128 A133 V134R126-K130 WeakPolarHBondContact O-CD 3.46Å; R126-K130 VanDerWaalsContact O-CG 3.23Å; R126-K130 WeakPolarHBondContact O-CG 3.47Å; R126-K130 PolarHBondContact O-N 2.94Å; K127-K130 PolarHBondContact O-N 3.3Å; M128-K130 VanDerWaalsContact C-N 3.34Å; M128-K130 PolarHBondContact O-N 3.47Å; K130-A133 PolarHBondContact O-N 2.83Å; K130-V134 WeakPolarHBondContact O-CB 3.45Å; K130-V134 VanDerWaalsContact O-CG2 3.3Å; K130-V134 WeakPolarHBondContact O-CG2 3.34Å; K130-V134 PolarHBondContact O-N 3.35Å
131E89.5Confident84.7Confident108 Ų10885.8 Ų85.851%0.50551%0.507SS..Hα-helixtrans-66.4-40.4178.6-72.8172.7168.900111.1K127 M128 V134 A135K127-E131 WeakPolarHBondContact CE-OE1 3.16Å; K127-E131 IonicContact NZ-OE1 2.7Å; K127-E131 WeakPolarHBondContact O-CG 3.49Å; K127-E131 PolarHBondContact O-N 2.97Å; M128-E131 PolarHBondContact O-N 3.05Å; E131-V134 PolarHBondContact O-N 3.29Å; E131-A135 WeakPolarHBondContact O-CB 3.32Å; E131-A135 PolarHBondContact O-N 2.99Å
132A88.5Confident85Confident60 Ų6086.6 Ų86.650%0.49652%0.515SS..Hα-helixtrans-64.7-41.8172.200000112.6M128 A135 A136M128-A132 VanDerWaalsContact O-CB 3.24Å; M128-A132 WeakPolarHBondContact O-CB 3.35Å; M128-A132 PolarHBondContact O-N 3.16Å; A132-A135 PolarHBondContact O-N 3.14Å; A132-A136 WeakPolarHBondContact O-CB 3.49Å; A132-A136 PolarHBondContact O-N 2.7Å
133A89.6Confident85.6Confident61 Ų6185.4 Ų85.450%0.50452%0.519SS..Hα-helixtrans-64.6-39175.600000112.2E129 K130 A137E129-A133 VanDerWaalsContact O-CB 3.24Å; E129-A133 WeakPolarHBondContact O-CB 3.39Å; E129-A133 PolarHBondContact O-N 3.42Å; K130-A133 PolarHBondContact O-N 2.83Å; A133-A137 WeakPolarHBondContact O-CB 3.41Å; A133-A137 PolarHBondContact O-N 3.44Å
134V91Very high86.1Confident95 Ų9584 Ų8458%0.57652%0.52SS*.Hα-helixtrans-66.2-45173.3169.90000110.8K130 E131 A136 A137 V138K130-V134 WeakPolarHBondContact O-CB 3.45Å; K130-V134 VanDerWaalsContact O-CG2 3.3Å; K130-V134 WeakPolarHBondContact O-CG2 3.34Å; K130-V134 PolarHBondContact O-N 3.35Å; E131-V134 PolarHBondContact O-N 3.29Å; V134-A136 PolarHBondContact O-N 3.37Å; V134-A137 PolarHBondContact O-N 3.18Å; V134-V138 HydrophobicContact CG1-CG2 4.46Å; V134-V138 WeakPolarHBondContact O-CG2 3.4Å; V134-V138 PolarHBondContact O-N 2.94Å
135A89.8Confident86.3Confident59 Ų5983 Ų8349%0.48852%0.523SS..Hα-helixtrans-60.9-43176.500000112.1E131 A132 V138 A139E131-A135 WeakPolarHBondContact O-CB 3.32Å; E131-A135 PolarHBondContact O-N 2.99Å; A132-A135 PolarHBondContact O-N 3.14Å; A135-V138 PolarHBondContact O-N 3.47Å; A135-A139 WeakPolarHBondContact O-CB 3.38Å; A135-A139 PolarHBondContact O-N 3.01Å
136A89.4Confident86.8Confident60 Ų6082.8 Ų82.850%0.49653%0.526SS..Hα-helixtrans-63.4-41.117500000112.2A132 V134 A139 A140A132-A136 WeakPolarHBondContact O-CB 3.49Å; A132-A136 PolarHBondContact O-N 2.7Å; V134-A136 PolarHBondContact O-N 3.37Å; A136-A139 PolarHBondContact O-N 3.41Å; A136-A140 WeakPolarHBondContact O-CB 3.44Å; A136-A140 PolarHBondContact O-N 3.11Å
137A89.7Confident86.9Confident61 Ų6179.5 Ų79.550%0.50453%0.527SS..Hα-helixtrans-65.2-40.4175.400000112.5A133 V134 A140 A141A133-A137 WeakPolarHBondContact O-CB 3.41Å; A133-A137 PolarHBondContact O-N 3.44Å; V134-A137 PolarHBondContact O-N 3.18Å; A137-A140 PolarHBondContact O-N 3.05Å; A137-A141 WeakPolarHBondContact O-CB 3.49Å; A137-A141 PolarHBondContact O-N 3.19Å
138V90Very high86.7Confident95 Ų9576.5 Ų76.558%0.57653%0.526SS*.Hα-helixtrans-65.2-43.4174.9170.80000111.1V134 A135 A141 A142V134-V138 HydrophobicContact CG1-CG2 4.46Å; V134-V138 WeakPolarHBondContact O-CG2 3.4Å; V134-V138 PolarHBondContact O-N 2.94Å; A135-V138 PolarHBondContact O-N 3.47Å; V138-A141 PolarHBondContact O-N 2.94Å; V138-A142 WeakPolarHBondContact O-CB 3.35Å; V138-A142 PolarHBondContact O-N 3.46Å
139A89.2Confident86.7Confident60 Ų6073.4 Ų73.450%0.49652%0.519SS..Hα-helixtrans-62.6-42.6175.600000112.1A135 A136 A142 A143A135-A139 WeakPolarHBondContact O-CB 3.38Å; A135-A139 PolarHBondContact O-N 3.01Å; A136-A139 PolarHBondContact O-N 3.41Å; A139-A142 PolarHBondContact O-N 3.32Å; A139-A143 WeakPolarHBondContact O-CB 3.31Å; A139-A143 PolarHBondContact O-N 3.28Å
140A88.8Confident86.2Confident62 Ų6270.1 Ų70.151%0.51251%0.513SS..Hα-helixtrans-63.8-41.3175.400000112.4A136 A137 A143 A144A136-A140 WeakPolarHBondContact O-CB 3.44Å; A136-A140 PolarHBondContact O-N 3.11Å; A137-A140 PolarHBondContact O-N 3.05Å; A140-A143 PolarHBondContact O-N 3.16Å; A140-A144 WeakPolarHBondContact O-CB 3.38Å; A140-A144 PolarHBondContact O-N 3.43Å
141A88.3Confident85.5Confident63 Ų6365.8 Ų65.852%0.52151%0.505SS..Hα-helixtrans-64.8-41.1175.300000112.2A137 V138 A144 A145A137-A141 WeakPolarHBondContact O-CB 3.49Å; A137-A141 PolarHBondContact O-N 3.19Å; V138-A141 PolarHBondContact O-N 2.94Å; A141-A144 PolarHBondContact O-N 3.43Å; A141-A145 WeakPolarHBondContact O-CB 3.43Å; A141-A145 PolarHBondContact O-N 3.07Å
142A86.8Confident84.4Confident60 Ų6063.6 Ų63.650%0.49651%0.506SS..Hα-helixtrans-64.3-42.117500000112.1V138 A139 A145 A146V138-A142 WeakPolarHBondContact O-CB 3.35Å; V138-A142 PolarHBondContact O-N 3.46Å; A139-A142 PolarHBondContact O-N 3.32Å; A142-A145 PolarHBondContact O-N 2.86Å; A142-A146 WeakPolarHBondContact O-CB 3.28Å; A142-A146 PolarHBondContact O-N 3.25Å
143A86.9Confident83Confident63 Ų6368.5 Ų68.552%0.52152%0.518SS..Hα-helixtrans-63.4-41.817500000112.2A139 A140 A146 A147A139-A143 WeakPolarHBondContact O-CB 3.31Å; A139-A143 PolarHBondContact O-N 3.28Å; A140-A143 PolarHBondContact O-N 3.16Å; A143-A146 PolarHBondContact O-N 2.81Å; A143-A147 WeakPolarHBondContact O-CB 3.31Å; A143-A147 PolarHBondContact O-N 2.94Å
144A86Confident81.4Confident61 Ų6173 Ų7350%0.50453%0.529SS..Hα-helixtrans-63.8-40.9174.900000112.3A140 A141 A147 A148A140-A144 WeakPolarHBondContact O-CB 3.38Å; A140-A144 PolarHBondContact O-N 3.43Å; A141-A144 PolarHBondContact O-N 3.43Å; A144-A147 PolarHBondContact O-N 2.9Å; A144-A148 WeakPolarHBondContact O-CB 3.18Å; A144-A148 PolarHBondContact O-N 3.21Å
145A84.3Confident79.7Confident61 Ų6174.3 Ų74.350%0.50454%0.537SS..Hα-helixtrans-65.1-41.4175.100000112.3A141 A142 A148 A149A141-A145 WeakPolarHBondContact O-CB 3.43Å; A141-A145 PolarHBondContact O-N 3.07Å; A142-A145 PolarHBondContact O-N 2.86Å; A145-A148 PolarHBondContact O-N 2.9Å; A145-A149 PolarHBondContact O-N 3.4Å
146A82.1Confident77.7Confident61 Ų6178.9 Ų78.950%0.50455%0.553SS.*Hα-helixtrans-63.8-41.5174.900000112.1A142 A143 A149 A150A142-A146 WeakPolarHBondContact O-CB 3.28Å; A142-A146 PolarHBondContact O-N 3.25Å; A143-A146 PolarHBondContact O-N 2.81Å; A146-A149 PolarHBondContact O-N 2.86Å; A146-A150 WeakPolarHBondContact O-CB 3.32Å; A146-A150 PolarHBondContact O-N 2.94Å
147A80.8Confident76Confident63 Ų6381.1 Ų81.152%0.52157%0.565SS.*Hα-helixtrans-63.4-40.8174.400000112.2A143 A144 A150 A151A143-A147 WeakPolarHBondContact O-CB 3.31Å; A143-A147 PolarHBondContact O-N 2.94Å; A144-A147 PolarHBondContact O-N 2.9Å; A147-A150 PolarHBondContact O-N 3.08Å; A147-A151 WeakPolarHBondContact O-CB 3.44Å; A147-A151 PolarHBondContact O-N 3.34Å
148A79.8Confident74Confident62 Ų6281.2 Ų81.251%0.51257%0.572SS.*Hα-helixtrans-64.9-40.2175.100000112.5A144 A145 A151 A152A144-A148 WeakPolarHBondContact O-CB 3.18Å; A144-A148 PolarHBondContact O-N 3.21Å; A145-A148 PolarHBondContact O-N 2.9Å; A148-A151 PolarHBondContact O-N 3.14Å; A148-A152 PolarHBondContact O-N 3.19Å
149A77.9Confident72.1Confident50 Ų5082.4 Ų82.441%0.41358%0.584SS.*Hα-helixtrans-65.6-41.4174.600000112.2A145 A146 A151 A152 H153A145-A149 PolarHBondContact O-N 3.4Å; A146-A149 PolarHBondContact O-N 2.86Å; A149-A151 VanDerWaalsContact C-N 3.31Å; A149-A151 PolarHBondContact O-N 2.93Å; A149-A152 PolarHBondContact O-N 3.47Å; A149-H153 PolarHBondContact O-CD2 2.94Å; A149-H153 PolarHBondContact O-N 1.94Å
150A74.8Confident70.2Confident58 Ų5884.9 Ų84.948%0.47960%0.595SS.*Hα-helixtrans-65.1-32.8174.900000112.8A146 A147A146-A150 WeakPolarHBondContact O-CB 3.32Å; A146-A150 PolarHBondContact O-N 2.94Å; A147-A150 PolarHBondContact O-N 3.08Å
151A71.7Confident68.1Low58 Ų5887.2 Ų87.248%0.47961%0.608SS.*Hα-helixtrans-69.5-41.2171.700000112A147 A148 A149 H153 Q154A147-A151 WeakPolarHBondContact O-CB 3.44Å; A147-A151 PolarHBondContact O-N 3.34Å; A148-A151 PolarHBondContact O-N 3.14Å; A149-A151 VanDerWaalsContact C-N 3.31Å; A149-A151 PolarHBondContact O-N 2.93Å; A151-H153 PolarHBondContact O-N 3.49Å; A151-Q154 PolarHBondContact O-N 3.44Å
152A66.6Low65.8Low63 Ų6390.2 Ų90.252%0.52163%0.625SS.*Hα-helixtrans-64-39.3177.500000112.8A148 A149 Q154 V155A148-A152 PolarHBondContact O-N 3.19Å; A149-A152 PolarHBondContact O-N 3.47Å; A152-Q154 PolarHBondContact O-N 3.22Å; A152-V155 PolarHBondContact O-N 3.06Å; A152-V155 VanDerWaalsContact O-N 3.11Å
153H59.3Low63.5Low162 Ų16290.6 Ų90.675%0.7563%0.634SS**THydrogen-bonded Turntrans-66.4-13.3177.3-84-64.2000114.9A149 A151A149-H153 PolarHBondContact O-CD2 2.94Å; A149-H153 PolarHBondContact O-N 1.94Å; A151-H153 PolarHBondContact O-N 3.49Å
154Q56.7Low61.4Low156 Ų15698.6 Ų98.673%0.72965%0.651SS**THydrogen-bonded Turntrans-87.60173.2-72.3-173.775.200114A151 A152A151-Q154 PolarHBondContact O-N 3.44Å; A152-Q154 PolarHBondContact O-N 3.22Å
155V55Low59.2Low123 Ų123104 Ų10475%0.74567%0.666SS**SBendtrans-98.5-18.3-175.8-175.80000113.3A152A152-V155 PolarHBondContact O-N 3.06Å; A152-V155 VanDerWaalsContact O-N 3.11Å
156D47.3Very low56.9Low155 Ų155104.6 Ų104.683%0.82968%0.678SS**  trans-105.514.6-172.1-153.127.5000114.9G158D156-G158 PolarHBondContact O-N 2.79Å
157S53.5Low54.9Low107 Ų107108.2 Ų108.275%0.74869%0.694SS**  trans-86.541168.950.60000112.5
158G48Very low52.8Low63 Ų63110.7 Ų110.765%0.64971%0.707SS**  trans-84.4109.8171.200000111.8D156D156-G158 PolarHBondContact O-N 2.79Å
159S51.3Low50.8Low120 Ų120114 Ų11484%0.83973%0.725SS**  trans-152.4154.1164-87.20000112.5
160P48.7Very low48.8Very low112 Ų112114.6 Ų114.673%0.72774%0.737SS**  trans-109.7157-145.638.9-33.5000116.7
161S43.2Very low46.9Very low111 Ų111117.8 Ų117.878%0.77675%0.75SS**  trans89.5144.1144.279.40000121.8
162S41.6Very low45Very low126 Ų126124.6 Ų124.688%0.88177%0.769SS**  trans76129.1172.279.90000117.5
163G38.2Very low43.7Very low67 Ų67126.4 Ų126.469%0.69178%0.778SS**  cis170.5141.7-13.200000113
164R43.1Very low42.3Very low232 Ų232126.6 Ų126.688%0.87578%0.784SS**  trans69.8151.3177-57.5-177.1160173.6-4.7116.3
165E39.3Very low41.2Very low175 Ų175124.7 Ų124.782%0.81878%0.782SS**  cis-166.8142.3-28.2-113.6170.8108.200105
166G36.3Very low39.9Very low73 Ų73124.3 Ų124.375%0.75379%0.785SS**  trans165.951.6-177.900000119.5
167T38.9Very low39.4Very low137 Ų137122.4 Ų122.484%0.8478%0.784SS**  trans32.3107.4143.4-45.10000120.1
168S38Very low39.1Very low114 Ų114123 Ų12380%0.79779%0.785SS**  -173.5144.798.146.90000113.9
169C37.7Very low38.3Very low131 Ų131124.3 Ų124.389%0.88579%0.79SS**  trans-65.9161.9166.146.30000111.1
170G34.9Very low37.3Very low64 Ų64126 Ų12666%0.6679%0.794SS**  cis156.9152.511.500000105.3
171T34.9Very low36.3Very low124 Ų124124.2 Ų124.276%0.76180%0.797SS**  -178.7143.854.534.20000112
172K33.2Very low35.6Very low202 Ų202127 Ų12788%0.87880%0.798SS**  trans61.6101.8139.1-61.3175.9-176.5-177.80119.9
173S38.8Very low34.9Very low100 Ų100129.7 Ų129.770%0.69979%0.793SS**  trans-88148.6152174.90000111.4
174L30Very low34.3Very low167 Ų167131.5 Ų131.587%0.87480%0.795SS**  trans-148.5101.2154.1-71.4179.7000105.9
175V33.1Very low33.6Very low115 Ų115126.3 Ų126.370%0.69779%0.789SS**  63.2114.381178.40000113.7
176S28.4Very low33Very low116 Ų116124.4 Ų124.481%0.81179%0.785SS**  -179.5126.6124.3-75.40000112.3
177S37Very low32.4Very low114 Ų114125.8 Ų125.880%0.79778%0.782SS**  trans-83.7167.6160.7-36.70000109.1
178P46Very low31.9Very low120 Ų120126.7 Ų126.778%0.77978%0.781SS**  -154.5162.667.240.3-19.1000118.8
179A32.4Very low31.4Very low90 Ų90130.5 Ų130.574%0.74478%0.778SS**  trans31.7151.613800000125.4
180V30Very low30.8Very low155 Ų155131.5 Ų131.594%0.93977%0.769SS**  trans78.3131.5159.5-160.50000117.6
181G26.5Very low30.7Very low75 Ų75133.9 Ų133.977%0.77378%0.775SS**  trans170.5117.5164.900000113.9
182E29.4Very low31.3Very low170 Ų170133.6 Ų133.679%0.79478%0.776SS**  trans-81.9158.4170-64.3175.18100112.1
183K27.5Very low31.1Very low182 Ų182130.1 Ų130.179%0.79178%0.776SS**  trans61.7134150.3-82.1171.7177.5160.30121.3
184S24.8Very low30.8Very low105 Ų105128.9 Ų128.973%0.73478%0.779SS**  trans101.7116.9134.175.20000120.5
185V27.6Very low30.9Very low124 Ų124128.2 Ų128.275%0.75278%0.776SS**  81120.31211740000120.4
186D27.3Very low30.8Very low135 Ų135128.4 Ų128.472%0.72278%0.781SS**  trans64.5108.3148.1-67.1-14.5000124.4
187C23.7Very low30.9Very low101 Ų101126.2 Ų126.268%0.68278%0.777SS**  77.6145.9113.1-69.50000123.6
188L27.7Very low30.6Very low157 Ų157128 Ų12882%0.82278%0.777SS**  trans72.6140.5154-68.4157.5000116.6
189R28.1Very low29.7Very low194 Ų194128.2 Ų128.273%0.73278%0.78SS**  cis-168.9161.6-10.5-158.6-174.8133168.4-8.4108.7
190E26.4Very low29.6Very low152 Ų152132 Ų13271%0.7178%0.783SS**  trans82.9135.9158-49.5-153.6132.900121.8
191S31Very low29.7Very low113 Ų113130.1 Ų130.179%0.7977%0.773SS**  trans-96.9-177.8175.4-43.50000110.6
192P48Very low29.8Very low119 Ų119134.6 Ų134.677%0.77378%0.778SS**  -151.5150.883.438.3-19000118.5
193C29.5Very low29.5Very low129 Ų129134.4 Ų134.487%0.87278%0.778SS**  trans46.5141.8146.974.70000124.7
194G31.7Very low29.4Very low74 Ų74132.5 Ų132.576%0.76378%0.775SS**  trans176.8105.4154.200000111.3
195D33.6Very low29.4Very low152 Ų152133.6 Ų133.681%0.81378%0.777SS**  trans24.3109.4166.7-71.95.8000119.3
196C29.5Very low29.4Very low120 Ų120133.5 Ų133.581%0.81178%0.777SS**  80.4132.563.7880000115
197G31.2Very low29.4Very low70 Ų70136.6 Ų136.672%0.72278%0.784SS**  trans154.977-177.600000112.7
198D30Very low29.5Very low150 Ų150137.9 Ų137.980%0.80278%0.784SS**  trans-32.9150.4-179-55.1-81.7000117.2
199C28Very low29.6Very low125 Ų125135.5 Ų135.585%0.84578%0.78SS**  cis-146.9148.545.2-63.50000115.2
200H29.4Very low29.6Very low171 Ų171134.5 Ų134.579%0.79279%0.789SS**  trans-83.2150.2168.8-97.9-93.4000113
201P32Very low29.6Very low114 Ų114131.4 Ų131.474%0.7480%0.797SS**  trans-80153.5154.835.3-32.5000110.5
202L28.3Very low29.4Very low169 Ų169130 Ų13089%0.88580%0.801SS**  trans-136128.5170.2-72.8177.5000111.3
203E23.7Very low28.4Very low167 Ų167128.1 Ų128.178%0.7880%0.803SS**  trans-110.8142.3154.3-103.6-155.1141.600109.5
204L26.2Very low28.3Very low141 Ų141127.4 Ų127.474%0.73880%0.799SS**  trans57.4123.3146.9-58.3166.6000119.6
205V25.3Very low28.3Very low129 Ų129128.6 Ų128.678%0.78280%0.802SS**  176.6119.598.4158.60000111.3
206V27.7Very low28Very low121 Ų121128.2 Ų128.273%0.73380%0.8SS**  trans26.4123140.2-172.20000120.5
207K25.8Very low28.2Very low200 Ų200128.6 Ų128.687%0.8780%0.804SS**  -161.5152.9118.4-142.3164.6-178.4173.40115.3
208D26.4Very low27.9Very low128 Ų128132.6 Ų132.668%0.68481%0.809SS**  trans-80.8155.3-168.5-37.8-95.9000115.5
209S29.6Very low27.9Very low107 Ų107133.1 Ų133.175%0.74881%0.811SS**  167.7128.6112.2-73.40000116
210L28.9Very low27.9Very low174 Ų174132.3 Ų132.391%0.91181%0.806SS**  trans63.4119.8140.5-64170.6000123.3
211G25.5Very low27.9Very low86 Ų86130.6 Ų130.689%0.88781%0.808SS**  trans86.5139.7150.700000116.4
212G27.1Very low28.4Very low85 Ų85130.1 Ų130.188%0.87681%0.805SS**  cis154.2131.7-5.300000111.1
213G26.3Very low28.5Very low79 Ų79128.4 Ų128.481%0.81480%0.804SS**  trans124.4107.7167.300000117.8
214S28.3Very low28.6Very low113 Ų113129.9 Ų129.979%0.7981%0.808SS**  trans23.8128.5138.3-170.60000122
215A31.2Very low28.5Very low99 Ų99131.8 Ų131.882%0.81881%0.805SS**  -158.9133.3122.700000111.4
216D28.1Very low28.7Very low145 Ų145133.7 Ų133.778%0.77581%0.809SS**  trans-76.7158.4175.4-52.8-77.2000113.2
217S33.3Very low28.8Very low127 Ų127133.6 Ų133.689%0.88880%0.801SS**  trans-172109.4146.3-79.50000112.1
218D25.4Very low29Very low154 Ų154130.3 Ų130.382%0.82480%0.8SS**  trans-72.2152.8166.2-74.2-61.6000112.4
219L29.8Very low28.8Very low161 Ų161131.3 Ų131.384%0.84380%0.798SS**  158.5119.3116-81.9169.2000115
220S28.1Very low28.6Very low108 Ų108132.9 Ų132.976%0.75580%0.803SS**  trans63.1116.8131.9-57.10000124.5
221T28Very low28.3Very low135 Ų135130.3 Ų130.383%0.82879%0.787SS**  trans-49176156.9-18.80000116.1
222P42.4Very low28.3Very low105 Ų105135 Ų13568%0.68278%0.783SS**  -124.2-164.2-59.741-26000112.6
223P31.3Very low28.1Very low132 Ų132137.6 Ų137.686%0.85778%0.777SS**  trans-135.4169.1136.336.8-24.4000116.2
224K26.7Very low28.3Very low198 Ų198137.4 Ų137.486%0.86177%0.767SS**  trans-104.5145.3-171.9-82.5174.7172173.50114
225R23.7Very low28.2Very low181 Ų181138.9 Ų138.968%0.68377%0.766SS**  51.3116129.6-164.4-173.2-143.5-86.2-7.5119.9E227R225-E227 VanDerWaalsContact CZ-CD 3.45Å; R225-E227 IonicContact CZ-OE1 3.84Å; R225-E227 VanDerWaalsContact CZ-OE1 3.31Å; R225-E227 IonicContact CZ-OE2 3.89Å; R225-E227 IonicContact NH1-OE1 3.94Å; R225-E227 PolarHBondContact NH1-OE1 2.47Å; R225-E227 IonicContact NH1-OE2 2.9Å; R225-E227 PolarHBondContact NH1-OE2 3.3Å; R225-E227 VanDerWaalsContact NH2-CD 3.26Å; R225-E227 IonicContact NH2-OE1 3.53Å; R225-E227 PolarHBondContact NH2-OE1 3.29Å; R225-E227 IonicContact NH2-OE2 3.47Å
226I28.8Very low28Very low169 Ų169141.9 Ų141.987%0.86776%0.763SS**  trans-135129.9144.9-64-179000108.2
227E29.8Very low27.9Very low120 Ų120141.5 Ų141.556%0.56177%0.766SS**  trans-93168.8168.5-69.1167.3149.500109.8R225R225-E227 VanDerWaalsContact CZ-CD 3.45Å; R225-E227 IonicContact CZ-OE1 3.84Å; R225-E227 VanDerWaalsContact CZ-OE1 3.31Å; R225-E227 IonicContact CZ-OE2 3.89Å; R225-E227 IonicContact NH1-OE1 3.94Å; R225-E227 PolarHBondContact NH1-OE1 2.47Å; R225-E227 IonicContact NH1-OE2 2.9Å; R225-E227 PolarHBondContact NH1-OE2 3.3Å; R225-E227 VanDerWaalsContact NH2-CD 3.26Å; R225-E227 IonicContact NH2-OE1 3.53Å; R225-E227 PolarHBondContact NH2-OE1 3.29Å; R225-E227 IonicContact NH2-OE2 3.47Å
228P29.9Very low27.6Very low131 Ų131143.8 Ų143.885%0.85176%0.763SS**  trans-125.5143.5132.235.1-28.4000112.9
229K22.8Very low27.6Very low148 Ų148143.1 Ų143.164%0.64376%0.764SS**  trans-121.9131.3176174.5177.4175.1179.40107.9E231K229-E231 WeakPolarHBondContact CE-OE1 3.42Å; K229-E231 WeakPolarHBondContact CE-OE2 3.39Å; K229-E231 IonicContact NZ-OE1 3.24Å; K229-E231 PolarHBondContact NZ-OE1 3.3Å; K229-E231 IonicContact NZ-OE2 3.04Å; K229-E231 PolarHBondContact NZ-OE2 3.28Å
230V25.2Very low27.3Very low141 Ų141142.2 Ų142.286%0.85576%0.76SS**  trans-140.2134.2169.6-175.50000108.2
231E22.1Very low27.2Very low120 Ų120143.4 Ų143.456%0.56176%0.762SS**  trans-127.1174.6177.2-74.2169.2145.400108.8K229K229-E231 WeakPolarHBondContact CE-OE1 3.42Å; K229-E231 WeakPolarHBondContact CE-OE2 3.39Å; K229-E231 IonicContact NZ-OE1 3.24Å; K229-E231 PolarHBondContact NZ-OE1 3.3Å; K229-E231 IonicContact NZ-OE2 3.04Å; K229-E231 PolarHBondContact NZ-OE2 3.28Å
232F25.2Very low27Very low183 Ų183139.9 Ų139.980%0.80375%0.752SS**  trans77.7138.3171.3-64.5-89.9000116.9
233D24.2Very low26.2Very low141 Ų141143.9 Ų143.975%0.75476%0.762SS**  cis-158.1-166.5-17.6-145.3-87.3000110.5
234A29.4Very low26Very low74 Ų74145.2 Ų145.261%0.61276%0.757SS**  trans-99.6-175.9-162.400000117.7
235D27.2Very low25.8Very low144 Ų144143.5 Ų143.577%0.7776%0.756SS**  trans102.1118.8151.4-66.8-19.6000122.9
236E26.9Very low25.8Very low162 Ų162140.6 Ų140.676%0.75775%0.75SS**  trans66.1109.9131-60.6-82.8109.500121.9
237V26.5Very low25.6Very low137 Ų137138.8 Ų138.883%0.8374%0.738SS**  trans-150.8118.9130.9173.90000109.8V239V237-V239 HydrophobicContact CG1-CG2 4.41Å
238E25.5Very low25.3Very low176 Ų176142.8 Ų142.882%0.82275%0.75SS**  trans-87.4143.4160.2-69.6-168.1142.300111.6
239V26.2Very low25Very low139 Ų139141.2 Ų141.284%0.84275%0.748SS**  trans-147.7120.6144.7-171.30000109.1V237V237-V239 HydrophobicContact CG1-CG2 4.41Å
240D24.2Very low25.1Very low142 Ų142138.5 Ų138.576%0.75975%0.753SS**  trans-94.7165.5169.5179.837.2000111.3
241V25.5Very low25.7Very low134 Ų134137.1 Ų137.181%0.81275%0.747SS**  trans156.5108.7142.6162.10000110.7
242G24.5Very low26Very low60 Ų60139.4 Ų139.462%0.61976%0.762SS**  100.6113.4109.400000121.5
243E25.7Very low26Very low189 Ų189138.2 Ų138.288%0.88376%0.764SS**  trans7881.7136-57-165.3119.100122.2
244Q25.2Very low26.1Very low161 Ų161140.2 Ų140.275%0.75277%0.774SS**  48.4115.798.9-166.2163.91000121.6
245L24.2Very low25.8Very low162 Ų162140.8 Ų140.885%0.84878%0.778SS**  166.5159.1128.9-88159.3000109.9
246Q23.5Very low25.8Very low119 Ų119142.1 Ų142.156%0.55678%0.78SS**  cis-178.6128.2-43.1176.973.815.500108
247Q24.6Very low25.8Very low132 Ų132140.6 Ų140.662%0.61778%0.781SS**  trans63.5152.6164-70161.8-9.900117.6
248Y22.2Very low26Very low204 Ų204142.7 Ų142.780%0.878%0.782SS**  cis-158.2157.5-7.7-101.5-43.2000105.6
249A25.5Very low26Very low98 Ų98143.2 Ų143.281%0.8178%0.784SS**  cis-148.7-140.23.300000110.8
250A23.7Very low26Very low90 Ų90140.8 Ų140.874%0.74478%0.779SS**  trans-127-177.8-174.500000110.8
251P38.7Very low26.1Very low112 Ų112141.3 Ų141.373%0.72778%0.781SS**  cis-143.7-177.110.937.5-14.3000118.7
252L28.1Very low26.3Very low169 Ų169140.5 Ų140.589%0.88578%0.779SS**  trans101.198.9159.9-54.8-175.3000118.2
253N24.6Very low26.8Very low158 Ų158143.2 Ų143.285%0.84579%0.788SS**  trans-70.3157.6169.5-71-57.6000113.2
254L25.8Very low27.4Very low182 Ų182136.2 Ų136.295%0.95377%0.767SS**  trans-151.583.2145.8-15478000112.4
255A24Very low28.3Very low86 Ų86132.9 Ų132.971%0.71175%0.751SS**  trans-159.1140.2162.900000111.2
256H28.1Very low29.1Very low173 Ų173129.2 Ų129.280%0.80174%0.736SS**  trans56.4104172.2-68.7101.4000119.3
257V26.2Very low30.5Very low130 Ų130126.3 Ų126.379%0.78873%0.726SS**  -136.8114.8125.6179.60000107.1E259V257-E259 PolarHBondContact O-N 3.25Å
258E31.2Very low31.8Very low181 Ų181123.6 Ų123.685%0.84672%0.716SS**  trans-71.6114.1156-75.5179.7109.200106.6A260E258-A260 PolarHBondContact O-N 2.91Å
259E25.1Very low33.4Very low186 Ų186115.8 Ų115.887%0.86969%0.687SS**  trans-80.7108-171.6-159.9168.2-177.500110.5V257V257-E259 PolarHBondContact O-N 3.25Å
260A26.4Very low34.6Very low89 Ų89111.9 Ų111.974%0.73666%0.655SS**  trans-65.1132.1-178.600000111.9E258E258-A260 PolarHBondContact O-N 2.91Å
261L25.8Very low35.9Very low152 Ų152110.2 Ų110.280%0.79663%0.63SS**  trans-55.2134.8161.7-80.4153.2000109.6S263L261-S263 VanDerWaalsContact C-N 3.34Å; L261-S263 PolarHBondContact O-N 3.36Å
262P30Very low36.6Very low118 Ų118108.8 Ų108.877%0.76662%0.622SS**  trans-73.687.4175.629.6-33.6000110.3G264P262-G264 PolarHBondContact O-N 3.11Å
263S34.6Very low38.1Very low116 Ų116102.2 Ų102.281%0.81159%0.588SS**  trans-66.7117.4172.460.40000110.7L261L261-S263 VanDerWaalsContact C-N 3.34Å; L261-S263 PolarHBondContact O-N 3.36Å
264G38.2Very low39.9Very low43 Ų43100.1 Ų100.144%0.44357%0.569SS.*  trans74.8101.517100000114.9P262 T266P262-G264 PolarHBondContact O-N 3.11Å; G264-T266 VanDerWaalsContact C-N 3.29Å; G264-T266 PolarHBondContact O-N 2.94Å
265Q44.3Very low41.6Very low90 Ų9095.6 Ų95.642%0.42154%0.543SS..  trans-7781.6161.2-74.8-169.6-20.200109.9Y117 V267Y117-Q265 HydrophobicContact CD2-CB 4.48Å; Y117-Q265 HydrophobicContact CE2-CB 4.37Å; Q265-V267 PolarHBondContact O-N 3.34Å
266T40.8Very low43.7Very low86 Ų8691.9 Ų91.953%0.52851%0.512SS..  trans-72.8114.9174.370.20000109.5D89 G264D89-T266 VanDerWaalsContact OD1-CG2 3.3Å; D89-T266 WeakPolarHBondContact OD1-CG2 3.46Å; G264-T266 VanDerWaalsContact C-N 3.29Å; G264-T266 PolarHBondContact O-N 2.94Å
267V53.1Low45.6Very low57 Ų5787.4 Ų87.435%0.34549%0.49SS..EExtended strand (participates in β ladder)trans-119.2133.2178.9178.60000110.3F113 Q265 L269F113-V267 HydrophobicContact CE2-CB 3.62Å; F113-V267 HydrophobicContact CE2-CG1 3.92Å; F113-V267 HydrophobicContact CE2-CG2 3.69Å; F113-V267 HydrophobicContact CZ-CB 3.68Å; F113-V267 HydrophobicContact CZ-CG1 4.48Å; F113-V267 HydrophobicContact CZ-CG2 3.64Å; Q265-V267 PolarHBondContact O-N 3.34Å; V267-L269 PolarHBondContact O-N 2.87Å
268D50.5Low47.6Very low76 Ų7683 Ų8341%0.40646%0.461SS..EExtended strand (participates in β ladder)trans-77.384.3175.9-175.929.3000110Q4 A270 Y271Q4-D268 PolarHBondContact NE2-OD2 2.9Å; D268-A270 VanDerWaalsContact C-N 3.31Å; D268-Y271 WeakPolarHBondContact OD2-CD2 3.47Å; D268-Y271 WeakPolarHBondContact OD2-CE2 3.43Å
269L57.2Low49.4Very low39 Ų3974.9 Ų74.920%0.20442%0.422CS..  trans-89.40.8-179.2-153.774.2000112F82 G86 D109 F113 V267 Y271 S272F82-L269 HydrophobicContact CE2-CB 3.9Å; F82-L269 HydrophobicContact CZ-CB 4.28Å; F82-L269 HydrophobicContact CZ-CD2 4.3Å; G86-L269 PolarHBondContact O-N 3.3Å; D109-L269 HydrophobicContact CB-CD2 4.47Å; F113-L269 HydrophobicContact CB-CD2 4.12Å; F113-L269 HydrophobicContact CD2-CD1 4.22Å; F113-L269 HydrophobicContact CG-CD2 4.41Å; V267-L269 PolarHBondContact O-N 2.87Å; L269-Y271 PolarHBondContact O-N 3.31Å; L269-Y271 VanDerWaalsContact O-N 3.13Å; L269-S272 PolarHBondContact O-OG 2.76Å
270A50.3Low51.5Low16 Ų1666.3 Ų66.313%0.13238%0.383CS..THydrogen-bonded Turntrans-58.2-29-171.500000114.9G86 D268G86-A270 PolarHBondContact O-N 3.41Å; D268-A270 VanDerWaalsContact C-N 3.31Å
271Y51.8Low53.6Low56 Ų5663.5 Ų63.522%0.2235%0.354CS..THydrogen-bonded Turntrans-97.5-5.3-161.2-69.2-67.3000116Q4 Y7 A8 D268 L269Q4-Y271 HydrophobicContact CG-CD1 4.01Å; Q4-Y271 HydrophobicContact CG-CD2 3.48Å; Q4-Y271 VanDerWaalsContact CG-CD2 3.48Å; Q4-Y271 HydrophobicContact CG-CE1 4.01Å; Q4-Y271 HydrophobicContact CG-CE2 3.42Å; Q4-Y271 VanDerWaalsContact CG-CE2 3.42Å; Q4-Y271 HydrophobicContact CG-CG 3.79Å; Q4-Y271 VanDerWaalsContact NE2-CD2 3.3Å; Q4-Y271 PolarHBondContact O-OH 2.88Å; Y7-Y271 VanDerWaalsContact CB-CE1 3.45Å; Y7-Y271 VanDerWaalsContact CB-OH 3.32Å; Y7-Y271 WeakPolarHBondContact CB-OH 3.37Å; Y7-Y271 HydrophobicContact CD2-CD1 4.21Å; Y7-Y271 AromaticContact CD2-CE1 3.64Å; Y7-Y271 HydrophobicContact CD2-CE1 3.64Å; Y7-Y271 AromaticContact CG-CE1 3.96Å; Y7-Y271 HydrophobicContact CG-CE1 3.96Å; A8-Y271 WeakPolarHBondContact CA-OH 3.49Å; A8-Y271 WeakPolarHBondContact CB-OH 3.32Å; A8-Y271 PolarHBondContact N-OH 2.85Å; D268-Y271 WeakPolarHBondContact OD2-CD2 3.47Å; D268-Y271 WeakPolarHBondContact OD2-CE2 3.43Å; L269-Y271 PolarHBondContact O-N 3.31Å; L269-Y271 VanDerWaalsContact O-N 3.13Å
272S52Low55.4Low81 Ų8156.7 Ų56.757%0.56632%0.32SS*.SBendtrans-80.7-24.2179.2560000113.4L269 Y274L269-S272 PolarHBondContact O-OG 2.76Å; S272-Y274 PolarHBondContact O-N 3.23Å
273N61Low57.1Low31 Ų3151.8 Ų51.817%0.16629%0.287CS..  trans-85.8104.5-173.7-161.5-62000112A44 H275 V276 K277A44-N273 PolarHBondContact O-OD1 3.37Å; N273-H275 PolarHBondContact O-N 3.35Å; N273-H275 VanDerWaalsContact O-N 3.13Å; N273-H275 WeakPolarHBondContact OD1-CB 3.43Å; N273-H275 PolarHBondContact OD1-N 3.02Å; N273-H275 VanDerWaalsContact OD1-N 3.16Å; N273-V276 HydrophobicContact CB-CB 4.37Å; N273-V276 HydrophobicContact CB-CG2 3.97Å; N273-V276 PolarHBondContact O-N 3.5Å; N273-V276 VanDerWaalsContact O-N 3.09Å; N273-K277 PolarHBondContact O-N 3.13Å; N273-K277 VanDerWaalsContact O-N 3.16Å
274Y62.3Low58.5Low114 Ų11448.1 Ų48.145%0.44726%0.258SS..Hα-helixtrans-48.8-40.3179.4176.6-97.8000113.1S272 K277 Q278S272-Y274 PolarHBondContact O-N 3.23Å; Y274-K277 PolarHBondContact O-N 3.36Å; Y274-Q278 HydrophobicContact CD1-CG 4.06Å; Y274-Q278 HydrophobicContact CD2-CG 4.41Å; Y274-Q278 HydrophobicContact CE1-CG 3.64Å; Y274-Q278 HydrophobicContact CE2-CG 4.04Å; Y274-Q278 HydrophobicContact CG-CG 4.43Å; Y274-Q278 WeakPolarHBondContact O-CG 3.49Å; Y274-Q278 PolarHBondContact O-N 3.43Å
275H59.9Low59.7Low87 Ų8752.9 Ų52.940%0.40326%0.263SS..Hα-helixtrans-69.2-38.8-178-68.5-56.3000112.9A44 N273 K277 Q278 F279 W324A44-H275 WeakPolarHBondContact O-CB 2.96Å; N273-H275 PolarHBondContact O-N 3.35Å; N273-H275 VanDerWaalsContact O-N 3.13Å; N273-H275 WeakPolarHBondContact OD1-CB 3.43Å; N273-H275 PolarHBondContact OD1-N 3.02Å; N273-H275 VanDerWaalsContact OD1-N 3.16Å; H275-K277 VanDerWaalsContact C-N 3.34Å; H275-Q278 PolarHBondContact O-N 3.06Å; H275-F279 PolarHBondContact O-N 3.3Å; H275-W324 HydrophobicContact CB-CH2 4.29Å; H275-W324 HydrophobicContact CB-CZ3 3.72Å; H275-W324 AromaticContact ND1-CZ3 3.83Å; H275-W324 WeakPolarHBondContact O-CH2 3.5Å; H275-W324 WeakPolarHBondContact O-CZ3 3.25Å
276V68.5Low60.2Low8 Ų853.2 Ų53.25%0.04827%0.268CS..Hα-helixtrans-64.2-43.2174.8-177.80000110.3A44 N45 N273 F279 L280A44-V276 HydrophobicContact CB-CB 4.48Å; A44-V276 HydrophobicContact CB-CG2 3.85Å; N45-V276 VanDerWaalsContact CG-CG2 3.5Å; N45-V276 WeakPolarHBondContact ND2-CG2 3.37Å; N45-V276 VanDerWaalsContact OD1-CG2 3.26Å; N45-V276 WeakPolarHBondContact OD1-CG2 3.2Å; N273-V276 HydrophobicContact CB-CB 4.37Å; N273-V276 HydrophobicContact CB-CG2 3.97Å; N273-V276 PolarHBondContact O-N 3.5Å; N273-V276 VanDerWaalsContact O-N 3.09Å; V276-F279 WeakPolarHBondContact O-CB 3.39Å; V276-F279 PolarHBondContact O-N 3.27Å; V276-L280 HydrophobicContact CG1-CD1 3.92Å; V276-L280 HydrophobicContact CG1-CG 4.42Å; V276-L280 WeakPolarHBondContact O-CG 3.43Å; V276-L280 PolarHBondContact O-N 3.25Å
277K68.6Low60.4Low80 Ų8053.1 Ų53.135%0.34827%0.271SS..Hα-helixtrans-59.7-49.7175.9-174-178.3170.3-170.70112Y7 N273 Y274 H275 F279 L280 E281Y7-K277 HydrophobicContact CE2-CG 4.46Å; N273-K277 PolarHBondContact O-N 3.13Å; N273-K277 VanDerWaalsContact O-N 3.16Å; Y274-K277 PolarHBondContact O-N 3.36Å; H275-K277 VanDerWaalsContact C-N 3.34Å; K277-F279 VanDerWaalsContact C-N 3.3Å; K277-F279 PolarHBondContact O-N 3.04Å; K277-L280 PolarHBondContact O-N 3.38Å; K277-E281 WeakPolarHBondContact CE-OE1 3.46Å; K277-E281 IonicContact NZ-OE1 2.79Å; K277-E281 WeakPolarHBondContact O-CB 3.33Å; K277-E281 WeakPolarHBondContact O-CG 3.3Å; K277-E281 PolarHBondContact O-N 3.29Å
278Q67.6Low59.7Low37 Ų3754 Ų5417%0.17328%0.283CS..Hα-helixtrans-59.8-38.3177.6-68.9-59.896.200112.5Y274 H275 A282 W324Y274-Q278 HydrophobicContact CD1-CG 4.06Å; Y274-Q278 HydrophobicContact CD2-CG 4.41Å; Y274-Q278 HydrophobicContact CE1-CG 3.64Å; Y274-Q278 HydrophobicContact CE2-CG 4.04Å; Y274-Q278 HydrophobicContact CG-CG 4.43Å; Y274-Q278 WeakPolarHBondContact O-CG 3.49Å; Y274-Q278 PolarHBondContact O-N 3.43Å; H275-Q278 PolarHBondContact O-N 3.06Å; Q278-A282 WeakPolarHBondContact O-CB 3.43Å; Q278-A282 PolarHBondContact O-N 3.49Å; Q278-W324 HydrophobicContact CB-CZ3 4.44Å
279F69.6Low58.6Low10 Ų1054.1 Ų54.14%0.04430%0.295CS..Hα-helixtrans-61.7-51.3174.4174.1-111.2000112L14 N40 I41 H275 V276 K277 E281 A282 L283 W324L14-F279 HydrophobicContact CD1-CE1 4.12Å; N40-F279 HydrophobicContact CB-CD2 4.29Å; N40-F279 HydrophobicContact CB-CE2 3.58Å; N40-F279 HydrophobicContact CB-CZ 3.79Å; I41-F279 HydrophobicContact CD1-CD1 3.96Å; I41-F279 HydrophobicContact CD1-CE1 3.56Å; I41-F279 HydrophobicContact CG1-CE1 4.29Å; H275-F279 PolarHBondContact O-N 3.3Å; V276-F279 WeakPolarHBondContact O-CB 3.39Å; V276-F279 PolarHBondContact O-N 3.27Å; K277-F279 VanDerWaalsContact C-N 3.3Å; K277-F279 PolarHBondContact O-N 3.04Å; F279-E281 VanDerWaalsContact C-N 3.31Å; F279-E281 PolarHBondContact O-N 3.41Å; F279-A282 PolarHBondContact O-N 2.89Å; F279-A282 VanDerWaalsContact O-N 3.14Å; F279-L283 HydrophobicContact CD1-CD1 4.37Å; F279-L283 HydrophobicContact CE1-CD1 3.65Å; F279-L283 HydrophobicContact CE1-CG 4.12Å; F279-L283 HydrophobicContact CE2-CD1 4.37Å; F279-L283 HydrophobicContact CE2-CD2 3.86Å; F279-L283 HydrophobicContact CE2-CG 4.12Å; F279-L283 HydrophobicContact CZ-CD1 3.66Å; F279-L283 HydrophobicContact CZ-CD2 3.91Å; F279-L283 HydrophobicContact CZ-CG 3.91Å; F279-L283 WeakPolarHBondContact O-CG 3.04Å; F279-L283 PolarHBondContact O-N 2.99Å; F279-W324 HydrophobicContact CB-CH2 3.69Å; F279-W324 HydrophobicContact CB-CZ2 3.82Å; F279-W324 HydrophobicContact CD2-CZ2 4.08Å; F279-W324 HydrophobicContact CG-CZ2 4.34Å
280L68.2Low57.6Low6 Ų658 Ų583%0.03132%0.322CS..Hα-helixtrans-66.2-33.4-178.6-62.3170.5000111.8Y7 L10 L11 L14 V276 K277 L283 L284Y7-L280 HydrophobicContact CD1-CB 3.49Å; Y7-L280 VanDerWaalsContact CD1-CB 3.49Å; Y7-L280 HydrophobicContact CD1-CD1 3.97Å; Y7-L280 HydrophobicContact CD1-CG 4.35Å; Y7-L280 HydrophobicContact CE1-CB 3.74Å; Y7-L280 HydrophobicContact CG-CB 4.49Å; Y7-L280 HydrophobicContact CG-CD1 4.21Å; L10-L280 HydrophobicContact CD2-CB 4.18Å; L10-L280 HydrophobicContact CD2-CD2 3.76Å; L10-L280 HydrophobicContact CG-CD2 3.96Å; L11-L280 HydrophobicContact CD1-CD1 4.46Å; L11-L280 HydrophobicContact CD1-CD2 4.18Å; L14-L280 HydrophobicContact CD1-CD2 4.26Å; V276-L280 HydrophobicContact CG1-CD1 3.92Å; V276-L280 HydrophobicContact CG1-CG 4.42Å; V276-L280 WeakPolarHBondContact O-CG 3.43Å; V276-L280 PolarHBondContact O-N 3.25Å; K277-L280 PolarHBondContact O-N 3.38Å; L280-L283 PolarHBondContact O-N 3.07Å; L280-L284 WeakPolarHBondContact O-CB 3.42Å; L280-L284 PolarHBondContact O-N 3.07Å
281E71.1Confident56.7Low30 Ų3062.2 Ų62.214%0.1435%0.351CS..Hα-helixtrans-64-41170-78.6-169.9-160.100113Y7 K277 F279 L284 R285Y7-E281 HydrophobicContact CE1-CG 4.17Å; Y7-E281 WeakPolarHBondContact OH-CG 3.37Å; Y7-E281 PolarHBondContact OH-OE1 2.67Å; K277-E281 WeakPolarHBondContact CE-OE1 3.46Å; K277-E281 IonicContact NZ-OE1 2.79Å; K277-E281 WeakPolarHBondContact O-CB 3.33Å; K277-E281 WeakPolarHBondContact O-CG 3.3Å; K277-E281 PolarHBondContact O-N 3.29Å; F279-E281 VanDerWaalsContact C-N 3.31Å; F279-E281 PolarHBondContact O-N 3.41Å; E281-L284 WeakPolarHBondContact O-CB 3.35Å; E281-L284 PolarHBondContact O-N 3.39Å; E281-R285 WeakPolarHBondContact O-CG 3.44Å; E281-R285 PolarHBondContact O-N 3.16Å; E281-R285 IonicContact OE2-CZ 2.67Å; E281-R285 IonicContact OE2-NH2 3.5Å; E281-R285 PolarHBondContact OE2-NH2 2.8Å
282A64.8Low55.9Low9 Ų969.3 Ų69.37%0.07438%0.383CS..Hα-helixtrans-66.8-40.4176.500000111.7Q278 F279 L284 R285 N286 V320Q278-A282 WeakPolarHBondContact O-CB 3.43Å; Q278-A282 PolarHBondContact O-N 3.49Å; F279-A282 PolarHBondContact O-N 2.89Å; F279-A282 VanDerWaalsContact O-N 3.14Å; A282-L284 VanDerWaalsContact C-N 3.29Å; A282-L284 PolarHBondContact O-N 3.22Å; A282-R285 PolarHBondContact O-N 3.01Å; A282-N286 PolarHBondContact O-N 3.09Å; A282-N286 PolarHBondContact O-ND2 3.09Å; A282-V320 HydrophobicContact CB-CG1 4.02Å
283L64.3Low55.1Low15 Ų1572 Ų728%0.07939%0.391CS..Hα-helixtrans-58-44.2171.9-65.8-163000111.4L10 L14 F279 L280 N286 S287 M317 V320L10-L283 HydrophobicContact CD1-CD1 4.42Å; L10-L283 HydrophobicContact CD2-CB 4Å; L10-L283 HydrophobicContact CD2-CD1 4.15Å; L10-L283 HydrophobicContact CG-CD1 4.45Å; L14-L283 HydrophobicContact CD1-CD1 3.96Å; F279-L283 HydrophobicContact CD1-CD1 4.37Å; F279-L283 HydrophobicContact CE1-CD1 3.65Å; F279-L283 HydrophobicContact CE1-CG 4.12Å; F279-L283 HydrophobicContact CE2-CD1 4.37Å; F279-L283 HydrophobicContact CE2-CD2 3.86Å; F279-L283 HydrophobicContact CE2-CG 4.12Å; F279-L283 HydrophobicContact CZ-CD1 3.66Å; F279-L283 HydrophobicContact CZ-CD2 3.91Å; F279-L283 HydrophobicContact CZ-CG 3.91Å; F279-L283 WeakPolarHBondContact O-CG 3.04Å; F279-L283 PolarHBondContact O-N 2.99Å; L280-L283 PolarHBondContact O-N 3.07Å; L283-N286 PolarHBondContact O-N 3.26Å; L283-S287 PolarHBondContact O-N 2.91Å; L283-M317 HydrophobicContact CD1-CE 4.29Å; L283-M317 HydrophobicContact CD2-CE 3.47Å; L283-M317 VanDerWaalsContact CD2-CE 3.47Å; L283-M317 HydrophobicContact CG-CE 4.38Å; L283-V320 HydrophobicContact CD2-CG1 4.37Å
284L63.7Low53.7Low39 Ų3978.8 Ų78.820%0.20443%0.427CS..Hα-helixtrans-61.3-49.2179-95.8171.6000113.5Y6 Y7 L280 E281 A282 N286 S287 A288Y6-L284 HydrophobicContact CD1-CD1 3.81Å; Y6-L284 HydrophobicContact CD1-CD2 3.87Å; Y6-L284 HydrophobicContact CD1-CG 4.16Å; Y6-L284 HydrophobicContact CE1-CD1 3.97Å; Y6-L284 HydrophobicContact CE1-CD2 3.18Å; Y6-L284 HydrophobicContact CE1-CG 3.78Å; Y6-L284 HydrophobicContact CE2-CD2 4.2Å; Y6-L284 WeakPolarHBondContact OH-CD2 3.18Å; Y7-L284 HydrophobicContact CD1-CD1 4.3Å; Y7-L284 HydrophobicContact CE1-CD1 3.74Å; L280-L284 WeakPolarHBondContact O-CB 3.42Å; L280-L284 PolarHBondContact O-N 3.07Å; E281-L284 WeakPolarHBondContact O-CB 3.35Å; E281-L284 PolarHBondContact O-N 3.39Å; A282-L284 VanDerWaalsContact C-N 3.29Å; A282-L284 PolarHBondContact O-N 3.22Å; L284-N286 PolarHBondContact O-N 2.68Å; L284-S287 PolarHBondContact O-N 3.41Å; L284-S287 PolarHBondContact O-OG 3.46Å; L284-A288 PolarHBondContact O-N 3.07Å
285R63.8Low52.2Low143 Ų14377.7 Ų77.754%0.5444%0.442SS..Hα-helixtrans-58.9-35.5-179.9-72177.9-170.1131.917112.1E281 A282 A288E281-R285 WeakPolarHBondContact O-CG 3.44Å; E281-R285 PolarHBondContact O-N 3.16Å; E281-R285 IonicContact OE2-CZ 2.67Å; E281-R285 IonicContact OE2-NH2 3.5Å; E281-R285 PolarHBondContact OE2-NH2 2.8Å; A282-R285 PolarHBondContact O-N 3.01Å; R285-A288 PolarHBondContact O-N 2.82Å
286N55.3Low50.9Low97 Ų9780.2 Ų80.252%0.51946%0.458SS..Hα-helixtrans-73.3-26.1177.4-69.1-48.8000113.6A282 L283 L284 A288A282-N286 PolarHBondContact O-N 3.09Å; A282-N286 PolarHBondContact O-ND2 3.09Å; L283-N286 PolarHBondContact O-N 3.26Å; L284-N286 PolarHBondContact O-N 2.68Å; N286-A288 VanDerWaalsContact C-N 3.33Å
287S45.4Very low49.1Very low85 Ų8588.8 Ų88.859%0.59450%0.498SS*.Hα-helixtrans-78.8-15.5173.772.80000114.1L283 L284L283-S287 PolarHBondContact O-N 2.91Å; L284-S287 PolarHBondContact O-N 3.41Å; L284-S287 PolarHBondContact O-OG 3.46Å
288A38Very low47.3Very low74 Ų7493.2 Ų93.261%0.61252%0.519SS*.  trans-113.814.2-167.900000114.4L284 R285 N286 P290L284-A288 PolarHBondContact O-N 3.07Å; R285-A288 PolarHBondContact O-N 2.82Å; N286-A288 VanDerWaalsContact C-N 3.33Å; A288-P290 VanDerWaalsContact O-CD 3.31Å; A288-P290 WeakPolarHBondContact O-CD 3.2Å
289A28.2Very low45.2Very low79 Ų79101.6 Ų101.665%0.65356%0.556SS**PPolyproline II helixtrans-72.1116.8174.200000110.3
290P34.5Very low43.2Very low120 Ų120106.6 Ų106.678%0.77959%0.591SS**PPolyproline II helixtrans-69135.4173.629-33000109.6A288 K292A288-P290 VanDerWaalsContact O-CD 3.31Å; A288-P290 WeakPolarHBondContact O-CD 3.2Å; P290-K292 PolarHBondContact O-N 2.94Å; P290-K292 VanDerWaalsContact O-N 3.16Å
291S33Very low41.2Very low105 Ų105118.2 Ų118.273%0.73464%0.635SS**PPolyproline II helixtrans-59.4118.7169.651.50000108.9D293S291-D293 PolarHBondContact O-N 3.35Å
292K35.2Very low39Very low206 Ų206121.8 Ų121.890%0.89666%0.664SS**  trans-85.866.1-177.7-167-176.7176.2179.60110.7P290P290-K292 PolarHBondContact O-N 2.94Å; P290-K292 VanDerWaalsContact O-N 3.16Å
293D34.6Very low37.1Very low136 Ų136128.1 Ų128.173%0.72770%0.695SS**  trans-120.7116.2165.4-74.5-55.8000108.2S291S291-D293 PolarHBondContact O-N 3.35Å
294D30.9Very low35.4Very low174 Ų174136 Ų13693%0.9373%0.732SS**  trans147.699.8152.4-82.8-28.8000110.6
295A32.2Very low33.6Very low91 Ų91138 Ų13875%0.75276%0.761SS**  trans-130.4108.3159.300000107.9
296D31.3Very low32Very low140 Ų140141.8 Ų141.875%0.74978%0.776SS**  trans54106.9161.7-57.7-44.7000119.5
297H30.7Very low30.8Very low188 Ų188142.5 Ų142.587%0.8779%0.786SS**  -174.6141.293-95.6-64.2000114.2
298H30.3Very low29.9Very low174 Ų174146.8 Ų146.881%0.80680%0.796SS**  trans-65.4137.6169.7-79.9-101.9000112.9
299F23.4Very low29.6Very low213 Ų213147.3 Ų147.393%0.93481%0.809SS**  -169.1135.6121.7-113.8-76.2000112
300S28.8Very low29.6Very low114 Ų114148.2 Ų148.280%0.79782%0.816SS**  trans-91.3137.1-170-41.90000114.3
301R25.1Very low29.3Very low250 Ų250146.4 Ų146.494%0.94382%0.819SS**  trans-158.4133.2146.9-145.8171.3-170.2163.93113.3
302S24.7Very low29.1Very low106 Ų106147.9 Ų147.974%0.74182%0.823SS**  trans-71.8144.2177.3-41.50000113.3
303L26.1Very low28.9Very low142 Ų142142.5 Ų142.574%0.74382%0.817SS**  -171.3140.6106.1-130.669.7000112.7
304E28.1Very low28.7Very low180 Ų180144.5 Ų144.584%0.84183%0.825SS**  trans25.9128.7148.9-64.6167143.100122.2
305G25.8Very low28.8Very low80 Ų80142 Ų14283%0.82582%0.82SS**  trans158.4117.4159.300000115.4
306R30.2Very low28.9Very low223 Ų223141.9 Ų141.984%0.84282%0.815SS**  trans-78.2146.6180174.4-177.9167.6162.8-5.5112.3
307P30.8Very low29.2Very low112 Ų112139.9 Ų139.973%0.72780%0.802SS**  trans-93.4151.6179.836.5-35000114
308E26.2Very low29.6Very low176 Ų176137.1 Ų137.182%0.82279%0.791SS**  trans-145145.2155.5-74.9-161162.600111
309G30.6Very low30Very low84 Ų84135.4 Ų135.487%0.86679%0.787SS**  trans9269.9153.400000119.1
310A28.4Very low30.9Very low98 Ų98126.7 Ų126.781%0.8175%0.752SS**  trans-141.6121.3155.700000110.7
311G29.5Very low31.4Very low82 Ų82127.9 Ų127.985%0.84575%0.745SS**  trans-73129.9179.800000111.8A313G311-A313 PolarHBondContact O-N 2.89Å
312V28.6Very low32.2Very low136 Ų136119.5 Ų119.582%0.82473%0.729SS**  trans-75.1112.9177.5-178.80000109.6M314V312-M314 PolarHBondContact O-N 3.09Å
313A30.6Very low32.8Very low93 Ų93119.1 Ų119.177%0.76972%0.719SS**PPolyproline II helixtrans-67.9116.5169.100000109.6G311 S315G311-A313 PolarHBondContact O-N 2.89Å; A313-S315 PolarHBondContact O-N 3.12Å
314M29.5Very low33.1Very low179 Ų179115 Ų11588%0.88269%0.693SS**PPolyproline II helixtrans-71.8117175.2-65.4-127-128.300109.7V312V312-M314 PolarHBondContact O-N 3.09Å
315S33.1Very low33.5Very low120 Ų120116.9 Ų116.984%0.83969%0.694SS**PPolyproline II helixtrans-71.1140.2-177.4-162.20000111.9A313 M317A313-S315 PolarHBondContact O-N 3.12Å; S315-M317 PolarHBondContact O-N 3.48Å
316S34.6Very low34.1Very low90 Ų90114.9 Ų114.963%0.62967%0.673SS**PPolyproline II helixtrans-73.2116.2-171.4-176.80000112.4M318S316-M318 PolarHBondContact O-N 3.27Å; S316-M318 WeakPolarHBondContact OG-CG 3.33Å
317M38.9Very low34.6Very low98 Ų98111.5 Ų111.548%0.48367%0.667SS.*  trans-80.551-173.6-164.4-176.6176.600113.6L283 S315L283-M317 HydrophobicContact CD1-CE 4.29Å; L283-M317 HydrophobicContact CD2-CE 3.47Å; L283-M317 VanDerWaalsContact CD2-CE 3.47Å; L283-M317 HydrophobicContact CG-CE 4.38Å; S315-M317 PolarHBondContact O-N 3.48Å
318M39.2Very low34.9Very low129 Ų129113.2 Ų113.264%0.63567%0.67SS**  trans-1155.7-167.1-55-61.816600115.4F23 S316F23-M318 HydrophobicContact CD1-CE 4.39Å; F23-M318 HydrophobicContact CE1-CE 4.39Å; S316-M318 PolarHBondContact O-N 3.27Å; S316-M318 WeakPolarHBondContact OG-CG 3.33Å
319D37.8Very low35.9Very low138 Ų138110.2 Ų110.274%0.73867%0.669SS**  trans-112.732.3-176.3-99-47.8000114
320V42.9Very low36.1Very low30 Ų30109.3 Ų109.318%0.18266%0.659CS.*  trans-109.152.5-178.7-159.70000112.5A282 L283A282-V320 HydrophobicContact CB-CG1 4.02Å; L283-V320 HydrophobicContact CD2-CG1 4.37Å
321Q39.4Very low36.7Very low140 Ų140113.1 Ų113.165%0.65467%0.666SS**  trans-125.117.3178.4-160.4149.145.700114.8
322A41.1Very low36.9Very low73 Ų73115 Ų11560%0.60366%0.66SS**SBendtrans-94.9-30.1-176.100000115.8W324A322-W324 PolarHBondContact O-N 2.7Å
323D36.4Very low37.5Very low99 Ų99116.5 Ų116.553%0.52966%0.663SS.*  trans-106.636-156.4-61.8-8.2000115.3
324W34.2Very low37.7Very low56 Ų56116.6 Ų116.621%0.21265%0.654CS.*  trans-91.38.1-173-83107.7000116.5A44 H275 Q278 F279 A322A44-W324 HydrophobicContact CB-CH2 4.01Å; H275-W324 HydrophobicContact CB-CH2 4.29Å; H275-W324 HydrophobicContact CB-CZ3 3.72Å; H275-W324 AromaticContact ND1-CZ3 3.83Å; H275-W324 WeakPolarHBondContact O-CH2 3.5Å; H275-W324 WeakPolarHBondContact O-CZ3 3.25Å; Q278-W324 HydrophobicContact CB-CZ3 4.44Å; F279-W324 HydrophobicContact CB-CH2 3.69Å; F279-W324 HydrophobicContact CB-CZ2 3.82Å; F279-W324 HydrophobicContact CD2-CZ2 4.08Å; F279-W324 HydrophobicContact CG-CZ2 4.34Å; A322-W324 PolarHBondContact O-N 2.7Å
325Y35.5Very low37.8Very low219 Ų219113.6 Ų113.686%0.85965%0.645SS**  trans-126.199.4170.8-85.4-94.1000109
326G39.4Very low38.2Very low38 Ų38113.4 Ų113.439%0.39264%0.641SS.*  trans-84131.4162.800000109.4
327E40.8Very low38.6Very low152 Ų152115.3 Ų115.371%0.7164%0.643SS**  trans-73.4152.2167.8-64.4159.1105.300110V334E327-V334 VanDerWaalsContact OE1-CG2 3.23Å; E327-V334 WeakPolarHBondContact OE1-CG2 3.48Å
328D36.3Very low39.1Very low148 Ų148119.4 Ų119.479%0.79166%0.658SS**  trans-138.6136.9150.6-157.8-17.2000110
329S47.1Very low40.3Very low113 Ų113116.9 Ų116.979%0.7965%0.647SS**SBendtrans62.799.3161.9-61.60000119.5
330G34.6Very low41.9Very low64 Ų64113.4 Ų113.466%0.6663%0.626SS**SBendtrans129.4103.6141.600000116.9V332G330-V332 PolarHBondContact O-N 3.16Å
331D40.5Very low43Very low179 Ų179119.9 Ų119.996%0.95765%0.652SS**  trans1266.1158.1-64.7-30.7000118.5
332V34.9Very low44.3Very low120 Ų120113.8 Ų113.873%0.72763%0.625SS**  trans-130.9127.9162.9-179.30000108.8G330 V334G330-V332 PolarHBondContact O-N 3.16Å; V332-V334 PolarHBondContact O-N 2.89Å
333L40.9Very low45.7Very low168 Ų168115 Ų11588%0.8863%0.627SS**  trans-66.994-176.9-64.6169.8000111.4V335L333-V335 PolarHBondContact O-N 3.34Å
334V34.9Very low47Very low96 Ų96116.3 Ų116.358%0.58263%0.628SS**  trans-77103.5173.6175.60000110.5E327 V332E327-V334 VanDerWaalsContact OE1-CG2 3.23Å; E327-V334 WeakPolarHBondContact OE1-CG2 3.48Å; V332-V334 PolarHBondContact O-N 2.89Å
335V31.8Very low48.6Very low115 Ų115115.5 Ų115.570%0.69763%0.63SS**  trans-71.2125169.8179.90000108.9L333 I337L333-V335 PolarHBondContact O-N 3.34Å; V335-I337 PolarHBondContact O-N 2.93Å; V335-I337 VanDerWaalsContact O-N 3.16Å
336P40.9Very low50.2Low116 Ų116110.5 Ų110.575%0.75363%0.625SS**  trans-61.1117.3-179.6-24.934.5000112.6K338P336-K338 PolarHBondContact O-N 3.36Å; P336-K338 VanDerWaalsContact O-N 3.09Å
337I44.2Very low51.4Low131 Ų131113.1 Ų113.167%0.67262%0.623SS**  trans-76.5101.2179.4-55.9178.3000109.5V335 L339V335-I337 PolarHBondContact O-N 2.93Å; V335-I337 VanDerWaalsContact O-N 3.16Å; I337-L339 PolarHBondContact O-N 3.21Å; I337-L339 VanDerWaalsContact O-N 3.15Å
338K49.4Very low52.7Low183 Ų183108.6 Ų108.680%0.79661%0.606SS**  trans-62.2110.5178.1-169.7171.3-175.4172.90111.2P336P336-K338 PolarHBondContact O-N 3.36Å; P336-K338 VanDerWaalsContact O-N 3.09Å
339L64.1Low54.5Low76 Ų76101.8 Ų101.840%0.39857%0.57SS.*PPolyproline II helixtrans-70.2141.6175.5-60.3-179.7000111.5I337 K350I337-L339 PolarHBondContact O-N 3.21Å; I337-L339 VanDerWaalsContact O-N 3.15Å; L339-K350 HydrophobicContact CD2-CB 4.27Å; L339-K350 HydrophobicContact CD2-CG 3.66Å
340H70.1Confident55.4Low66 Ų66103.3 Ų103.331%0.30656%0.563SS.*EExtended strand (participates in β ladder)trans-98122.7174.6-57.6-84.1000110.3T348 A349 K352 L355H340-T348 CarbonylContact O-C 3.51Å; H340-T348 WeakPolarHBondContact O-CA 3.37Å; H340-A349 PolarHBondContact N-O 3.29Å; H340-A349 PolarHBondContact O-N 3.33Å; H340-K352 PolarHBondContact CD2-N 3.32Å; H340-K352 PolarHBondContact NE2-N 2.94Å; H340-L355 HydrophobicContact CB-CB 4.16Å; H340-L355 HydrophobicContact CB-CD2 3.59Å; H340-L355 HydrophobicContact CB-CG 4.44Å
341K67.1Low57.1Low165 Ų165106.2 Ų106.272%0.71756%0.559SS**EExtended strand (participates in β ladder)trans-91.3146.3-179.2-54.6-168.2175.8-169.90111.8T348 L355K341-T348 HydrophobicContact CB-CG2 4.39Å; K341-T348 HydrophobicContact CG-CG2 3.97Å; K341-L355 WeakPolarHBondContact O-CD2 3.39Å
342C66.3Low58.6Low13 Ų13104 Ų1049%0.08854%0.541CS..PPolyproline II helixtrans-79.4137.2171.4-173.90000111.3F344 C345 Y347 L355 H358C342-F344 VanDerWaalsContact C-N 3.33Å; C342-F344 PolarHBondContact SG-N 2.88Å; C342-F344 VanDerWaalsContact SG-N 3.44Å; C342-C345 WeakPolarHBondContact CB-O 3.39Å; C342-Y347 VanDerWaalsContact CB-O 3.31Å; C342-Y347 WeakPolarHBondContact CB-O 3.49Å; C342-Y347 PolarHBondContact N-O 2.98Å; C342-L355 HydrophobicContact CB-CD1 3.77Å; C342-H358 PolarHBondContact SG-CD2 3Å; C342-H358 PolarHBondContact SG-NE2 3Å
343P70.6Confident60.4Low99 Ų99100.5 Ų100.564%0.64353%0.529SS*.SBendtrans-77-17.5175.129.9-34.2000113.6
344F63.6Low61.9Low125 Ų12595 Ų9555%0.54850%0.5SS..SBendtrans-101.6-13.6-173.7-57.8-66.9000114.4C342 I359 H362 T363C342-F344 VanDerWaalsContact C-N 3.33Å; C342-F344 PolarHBondContact SG-N 2.88Å; C342-F344 VanDerWaalsContact SG-N 3.44Å; F344-I359 HydrophobicContact CE2-CG2 4.11Å; F344-H362 HydrophobicContact CB-CB 4.08Å; F344-H362 HydrophobicContact CD2-CB 3.72Å; F344-H362 AromaticContact CD2-CG 3.94Å; F344-H362 HydrophobicContact CE2-CB 4.38Å; F344-H362 HydrophobicContact CG-CB 3.94Å; F344-H362 AromaticContact CG-CG 3.97Å; F344-T363 HydrophobicContact CE2-CG2 4.45Å
345C67.5Low63.7Low40 Ų4091.2 Ų91.227%0.2748%0.477SS..SBendtrans-163.7169.9-17982.80000110.8C342 Y347 H358C342-C345 WeakPolarHBondContact CB-O 3.39Å; C345-Y347 PolarHBondContact O-N 3.31Å; C345-Y347 VanDerWaalsContact SG-CB 3.53Å; C345-H358 PolarHBondContact SG-CE1 3.22Å; C345-H358 PolarHBondContact SG-NE2 3.49Å
346P68.6Low65.7Low114 Ų11491.1 Ų91.174%0.7447%0.467SS*.SBendtrans-717.1-175.829.5-35.9000115.3T348P346-T348 PolarHBondContact O-N 2.85Å
347Y65.9Low67.3Low93 Ų9390.7 Ų90.737%0.36545%0.45SS..  trans-65.1134.6179.9-177.4-102000112.6C342 C345 A349 I354 L355 H358C342-Y347 VanDerWaalsContact CB-O 3.31Å; C342-Y347 WeakPolarHBondContact CB-O 3.49Å; C342-Y347 PolarHBondContact N-O 2.98Å; C345-Y347 PolarHBondContact O-N 3.31Å; C345-Y347 VanDerWaalsContact SG-CB 3.53Å; Y347-A349 HydrophobicContact CE1-CB 3.92Å; Y347-I354 HydrophobicContact CE1-CG2 4.46Å; Y347-I354 VanDerWaalsContact OH-CG2 3.27Å; Y347-I354 WeakPolarHBondContact OH-CG2 3.39Å; Y347-L355 HydrophobicContact CD1-CD1 4.29Å; Y347-H358 VanDerWaalsContact CB-CE1 3.44Å; Y347-H358 WeakPolarHBondContact CB-CE1 3.33Å; Y347-H358 HydrophobicContact CD1-CB 3.73Å; Y347-H358 AromaticContact CD1-CD2 3.52Å; Y347-H358 AromaticContact CD1-CE1 3.8Å; Y347-H358 AromaticContact CD1-CG 3.24Å; Y347-H358 AromaticContact CD1-ND1 3.44Å; Y347-H358 WeakPolarHBondContact CD1-ND1 3.32Å; Y347-H358 AromaticContact CD1-NE2 3.87Å; Y347-H358 HydrophobicContact CE1-CB 3.56Å; Y347-H358 AromaticContact CE1-CG 3.61Å; Y347-H358 AromaticContact CE1-ND1 3.89Å; Y347-H358 AromaticContact CG-CE1 3.6Å; Y347-H358 AromaticContact CG-CG 3.85Å; Y347-H358 AromaticContact CG-ND1 3.55Å; Y347-H358 AromaticContact CG-NE2 3.93Å
348T67.8Low68.6Low57 Ų5786.2 Ų86.235%0.3543%0.426SS..EExtended strand (participates in β ladder)trans-124.7149.8173.868.90000111.3H340 K341 P346H340-T348 CarbonylContact O-C 3.51Å; H340-T348 WeakPolarHBondContact O-CA 3.37Å; K341-T348 HydrophobicContact CB-CG2 4.39Å; K341-T348 HydrophobicContact CG-CG2 3.97Å; P346-T348 PolarHBondContact O-N 2.85Å
349A72.7Confident69.6Low5 Ų579.5 Ų79.54%0.04140%0.398CS..EExtended strand (participates in β ladder)trans-136.7139.2-175.200000112.7H340 Y347 Q351 I354 L355H340-A349 PolarHBondContact N-O 3.29Å; H340-A349 PolarHBondContact O-N 3.33Å; Y347-A349 HydrophobicContact CE1-CB 3.92Å; A349-Q351 PolarHBondContact O-N 3.13Å; A349-I354 HydrophobicContact CB-CB 3.97Å; A349-I354 HydrophobicContact CB-CG2 3.82Å; A349-L355 HydrophobicContact CB-CB 4.02Å
350K67.3Low70.2Confident145 Ų14578.6 Ų78.663%0.6339%0.39SS*.SBendtrans-67.9-13.9176.8-63.4-172.5175.8-168.90114.4L339L339-K350 HydrophobicContact CD2-CB 4.27Å; L339-K350 HydrophobicContact CD2-CG 3.66Å
351Q69.8Low70.2Confident125 Ų12579.5 Ų79.558%0.58440%0.404SS*.SBendtrans-142.5139.1-177.7-67.7178.2-18.400111.1A349 G353 I354 L355A349-Q351 PolarHBondContact O-N 3.13Å; Q351-G353 PolarHBondContact O-N 3.14Å; Q351-I354 HydrophobicContact CB-CD1 4.1Å; Q351-I354 HydrophobicContact CB-CG1 4.18Å; Q351-I354 HydrophobicContact CG-CD1 4.48Å; Q351-I354 PolarHBondContact O-N 3.24Å; Q351-L355 PolarHBondContact O-N 3.39Å; Q351-L355 VanDerWaalsContact O-N 3.12Å
352K71.6Confident70.2Confident132 Ų13275.4 Ų75.457%0.57439%0.387SS*.Hα-helixtrans-55-34.1177.5-165.3176.2-175.71790112.8H340 L355 K356H340-K352 PolarHBondContact CD2-N 3.32Å; H340-K352 PolarHBondContact NE2-N 2.94Å; K352-L355 PolarHBondContact O-N 3.36Å; K352-K356 WeakPolarHBondContact O-CB 3.48Å; K352-K356 WeakPolarHBondContact O-CG 3.39Å; K352-K356 PolarHBondContact O-N 3.26Å
353G73.3Confident70.4Confident46 Ų4677.8 Ų77.847%0.47440%0.401SS..Hα-helixtrans-67.9-33.6176.500000114.3Q351 R357Q351-G353 PolarHBondContact O-N 3.14Å; G353-R357 WeakPolarHBondContact O-CB 3.42Å; G353-R357 PolarHBondContact O-N 2.87Å
354I73.4Confident70.1Confident53 Ų5375.5 Ų75.527%0.27240%0.396SS..Hα-helixtrans-71.1-43.2173.1-61.5172.1000109.2Y347 A349 Q351 R357 H358Y347-I354 HydrophobicContact CE1-CG2 4.46Å; Y347-I354 VanDerWaalsContact OH-CG2 3.27Å; Y347-I354 WeakPolarHBondContact OH-CG2 3.39Å; A349-I354 HydrophobicContact CB-CB 3.97Å; A349-I354 HydrophobicContact CB-CG2 3.82Å; Q351-I354 HydrophobicContact CB-CD1 4.1Å; Q351-I354 HydrophobicContact CB-CG1 4.18Å; Q351-I354 HydrophobicContact CG-CD1 4.48Å; Q351-I354 PolarHBondContact O-N 3.24Å; I354-R357 WeakPolarHBondContact O-CB 3.38Å; I354-R357 PolarHBondContact O-N 3.07Å; I354-H358 PolarHBondContact O-N 2.91Å
355L72.6Confident70.5Confident17 Ų1774.3 Ų74.39%0.08939%0.392CS..Hα-helixtrans-61.6-47.7175.7-175.764.1000112.3H340 K341 C342 Y347 A349 Q351 K352 R357 H358 I359H340-L355 HydrophobicContact CB-CB 4.16Å; H340-L355 HydrophobicContact CB-CD2 3.59Å; H340-L355 HydrophobicContact CB-CG 4.44Å; K341-L355 WeakPolarHBondContact O-CD2 3.39Å; C342-L355 HydrophobicContact CB-CD1 3.77Å; Y347-L355 HydrophobicContact CD1-CD1 4.29Å; A349-L355 HydrophobicContact CB-CB 4.02Å; Q351-L355 PolarHBondContact O-N 3.39Å; Q351-L355 VanDerWaalsContact O-N 3.12Å; K352-L355 PolarHBondContact O-N 3.36Å; L355-R357 PolarHBondContact O-N 3.33Å; L355-H358 CarbonylContact O-C 3.58Å; L355-H358 WeakPolarHBondContact O-CA 3.48Å; L355-H358 WeakPolarHBondContact O-CB 3.37Å; L355-H358 PolarHBondContact O-N 3.29Å; L355-I359 HydrophobicContact CD1-CD1 4.39Å; L355-I359 HydrophobicContact CD1-CG1 4.39Å; L355-I359 HydrophobicContact CD2-CD1 4.23Å; L355-I359 HydrophobicContact CG-CD1 3.86Å; L355-I359 HydrophobicContact CG-CG1 4.31Å; L355-I359 WeakPolarHBondContact O-CG1 3.43Å; L355-I359 PolarHBondContact O-N 3.48Å
356K72.3Confident70.8Confident112 Ų11279.3 Ų79.349%0.48741%0.405SS..Hα-helixtrans-54.6-42175.5-79.2-175.9175.7-173.70111.5K352 H358 I359 R360K352-K356 WeakPolarHBondContact O-CB 3.48Å; K352-K356 WeakPolarHBondContact O-CG 3.39Å; K352-K356 PolarHBondContact O-N 3.26Å; K356-H358 VanDerWaalsContact C-N 3.35Å; K356-I359 PolarHBondContact O-N 3.49Å; K356-R360 PolarHBondContact O-N 2.98Å
357R75Confident71.1Confident108 Ų10876.3 Ų76.341%0.40839%0.385SS..Hα-helixtrans-64.9-37.9177.2-167.4-164.7-47.8-168.25112.4G353 I354 L355 R379G353-R357 WeakPolarHBondContact O-CB 3.42Å; G353-R357 PolarHBondContact O-N 2.87Å; I354-R357 WeakPolarHBondContact O-CB 3.38Å; I354-R357 PolarHBondContact O-N 3.07Å; L355-R357 PolarHBondContact O-N 3.33Å; R357-R379 HydrophobicContact CG-CG 4.35Å
358H72.1Confident71.9Confident36 Ų3675.4 Ų75.417%0.16738%0.382CS..Hα-helixtrans-69-42.3173.917087.4000111.7C342 C345 Y347 I354 L355 K356 R360 S361 H362C342-H358 PolarHBondContact SG-CD2 3Å; C342-H358 PolarHBondContact SG-NE2 3Å; C345-H358 PolarHBondContact SG-CE1 3.22Å; C345-H358 PolarHBondContact SG-NE2 3.49Å; Y347-H358 VanDerWaalsContact CB-CE1 3.44Å; Y347-H358 WeakPolarHBondContact CB-CE1 3.33Å; Y347-H358 HydrophobicContact CD1-CB 3.73Å; Y347-H358 AromaticContact CD1-CD2 3.52Å; Y347-H358 AromaticContact CD1-CE1 3.8Å; Y347-H358 AromaticContact CD1-CG 3.24Å; Y347-H358 AromaticContact CD1-ND1 3.44Å; Y347-H358 WeakPolarHBondContact CD1-ND1 3.32Å; Y347-H358 AromaticContact CD1-NE2 3.87Å; Y347-H358 HydrophobicContact CE1-CB 3.56Å; Y347-H358 AromaticContact CE1-CG 3.61Å; Y347-H358 AromaticContact CE1-ND1 3.89Å; Y347-H358 AromaticContact CG-CE1 3.6Å; Y347-H358 AromaticContact CG-CG 3.85Å; Y347-H358 AromaticContact CG-ND1 3.55Å; Y347-H358 AromaticContact CG-NE2 3.93Å; I354-H358 PolarHBondContact O-N 2.91Å; L355-H358 CarbonylContact O-C 3.58Å; L355-H358 WeakPolarHBondContact O-CA 3.48Å; L355-H358 WeakPolarHBondContact O-CB 3.37Å; L355-H358 PolarHBondContact O-N 3.29Å; K356-H358 VanDerWaalsContact C-N 3.35Å; H358-R360 PolarHBondContact O-N 3.23Å; H358-R360 VanDerWaalsContact O-N 3.15Å; H358-S361 PolarHBondContact O-N 2.99Å; H358-S361 PolarHBondContact O-OG 3.3Å; H358-H362 AromaticContact CD2-NE2 3.91Å; H358-H362 AromaticContact CE1-NE2 3.56Å; H358-H362 AromaticContact NE2-CD2 3.6Å; H358-H362 AromaticContact NE2-NE2 3.02Å; H358-H362 PolarHBondContact NE2-NE2 2.71Å
359I69.6Low72.2Confident42 Ų4275.3 Ų75.322%0.21538%0.382CS..Hα-helixtrans-56.9-33.6178.1-72168.5000111.9F344 L355 K356 S361 H362 T363F344-I359 HydrophobicContact CE2-CG2 4.11Å; L355-I359 HydrophobicContact CD1-CD1 4.39Å; L355-I359 HydrophobicContact CD1-CG1 4.39Å; L355-I359 HydrophobicContact CD2-CD1 4.23Å; L355-I359 HydrophobicContact CG-CD1 3.86Å; L355-I359 HydrophobicContact CG-CG1 4.31Å; L355-I359 WeakPolarHBondContact O-CG1 3.43Å; L355-I359 PolarHBondContact O-N 3.48Å; K356-I359 PolarHBondContact O-N 3.49Å; I359-S361 PolarHBondContact O-N 2.88Å; I359-S361 VanDerWaalsContact O-N 3.13Å; I359-H362 WeakPolarHBondContact O-CB 3.44Å; I359-H362 PolarHBondContact O-N 2.87Å; I359-T363 HydrophobicContact CG2-CG2 3.99Å; I359-T363 PolarHBondContact O-N 3.17Å
360R77.7Confident72.5Confident58 Ų5875.3 Ų75.322%0.21938%0.382CS..THydrogen-bonded Turntrans-61.7-15.9173.9-63.8179.9-176.8157.51.8115.1K356 H358 H362 G364 E365K356-R360 PolarHBondContact O-N 2.98Å; H358-R360 PolarHBondContact O-N 3.23Å; H358-R360 VanDerWaalsContact O-N 3.15Å; R360-H362 VanDerWaalsContact C-N 3.33Å; R360-G364 PolarHBondContact O-N 2.72Å; R360-E365 HydrophobicContact CB-CB 4.31Å; R360-E365 HydrophobicContact CG-CB 3.98Å
361S70.4Confident72.9Confident85 Ų8575.3 Ų75.359%0.59438%0.384SS*.THydrogen-bonded Turntrans-77.9-20.9170.4700000112.8H358 I359H358-S361 PolarHBondContact O-N 2.99Å; H358-S361 PolarHBondContact O-OG 3.3Å; I359-S361 PolarHBondContact O-N 2.88Å; I359-S361 VanDerWaalsContact O-N 3.13Å
362H65.9Low72.9Confident79 Ų7974.2 Ų74.237%0.36639%0.386SS..THydrogen-bonded Turntrans-91.2-43.4175.2-60.6-75.5000111.4F344 H358 I359 R360 G364F344-H362 HydrophobicContact CB-CB 4.08Å; F344-H362 HydrophobicContact CD2-CB 3.72Å; F344-H362 AromaticContact CD2-CG 3.94Å; F344-H362 HydrophobicContact CE2-CB 4.38Å; F344-H362 HydrophobicContact CG-CB 3.94Å; F344-H362 AromaticContact CG-CG 3.97Å; H358-H362 AromaticContact CD2-NE2 3.91Å; H358-H362 AromaticContact CE1-NE2 3.56Å; H358-H362 AromaticContact NE2-CD2 3.6Å; H358-H362 AromaticContact NE2-NE2 3.02Å; H358-H362 PolarHBondContact NE2-NE2 2.71Å; I359-H362 WeakPolarHBondContact O-CB 3.44Å; I359-H362 PolarHBondContact O-N 2.87Å; R360-H362 VanDerWaalsContact C-N 3.33Å; H362-G364 VanDerWaalsContact C-N 3.32Å; H362-G364 PolarHBondContact O-N 2.73Å
363T70.1Confident73Confident63 Ų6370.4 Ų70.439%0.38738%0.376SS..SBendtrans-81.1-7.6179.765.40000114.1F344 I359 E365F344-T363 HydrophobicContact CE2-CG2 4.45Å; I359-T363 HydrophobicContact CG2-CG2 3.99Å; I359-T363 PolarHBondContact O-N 3.17Å; T363-E365 PolarHBondContact O-N 2.85Å; T363-E365 VanDerWaalsContact O-N 3.09Å; T363-E365 WeakPolarHBondContact OG1-CG 3.47Å; T363-E365 PolarHBondContact OG1-OE1 3.23Å; T363-E365 VanDerWaalsContact OG1-OE1 3.12Å
364G65.6Low73Confident51 Ų5170.7 Ų70.753%0.52638%0.379SS..  trans68.23.2-178.800000115.1R360 H362 R366R360-G364 PolarHBondContact O-N 2.72Å; H362-G364 VanDerWaalsContact C-N 3.32Å; H362-G364 PolarHBondContact O-N 2.73Å; G364-R366 PolarHBondContact O-N 3.4Å
365E70.9Confident73Confident100 Ų10074 Ų7447%0.46739%0.391SS..  trans-56.7120.9-176-84.5172.4-133.600113.2R360 T363 P367R360-E365 HydrophobicContact CB-CB 4.31Å; R360-E365 HydrophobicContact CG-CB 3.98Å; T363-E365 PolarHBondContact O-N 2.85Å; T363-E365 VanDerWaalsContact O-N 3.09Å; T363-E365 WeakPolarHBondContact OG1-CG 3.47Å; T363-E365 PolarHBondContact OG1-OE1 3.23Å; T363-E365 VanDerWaalsContact OG1-OE1 3.12Å; E365-P367 VanDerWaalsContact C-CD 3.46Å; E365-P367 WeakPolarHBondContact O-CD 3.24Å
366R74.8Confident73.2Confident144 Ų14479.6 Ų79.654%0.54341%0.411SS..  trans-116.178.8175.8-72.1173.5140.2-177.2-7.3110.7G364 Y368 R376 F377 T378G364-R366 PolarHBondContact O-N 3.4Å; R366-Y368 VanDerWaalsContact C-N 3.28Å; R366-Y368 PolarHBondContact O-N 3.28Å; R366-R376 HydrophobicContact CB-CB 3.57Å; R366-R376 WeakPolarHBondContact CD-O 3.23Å; R366-R376 PolarHBondContact NE-O 3Å; R366-R376 PolarHBondContact O-NE 3.27Å; R366-R376 PolarHBondContact O-NH2 2.97Å; R366-R376 VanDerWaalsContact O-NH2 3.12Å; R366-F377 CarbonylContact C-O 3.58Å; R366-F377 WeakPolarHBondContact CA-O 3.4Å; R366-T378 HydrophobicContact CG-CG2 3.76Å
367P75.5Confident73.5Confident51 Ų5176 Ų7633%0.33140%0.395SS..  trans-74.5-10.6-173.828.4-34.6000114.5E365 P369E365-P367 VanDerWaalsContact C-CD 3.46Å; E365-P367 WeakPolarHBondContact O-CD 3.24Å; P367-P369 WeakPolarHBondContact O-CD 3.4Å
368Y81.5Confident73.3Confident74 Ų7473 Ų7329%0.2939%0.389SS..EExtended strand (participates in β ladder)trans-106.487.8-177.2-55.2-76.5000111.6R366 R376 F377 T378 R379 Q380R366-Y368 VanDerWaalsContact C-N 3.28Å; R366-Y368 PolarHBondContact O-N 3.28Å; Y368-R376 CarbonylContact O-C 3.6Å; Y368-R376 WeakPolarHBondContact O-CA 3.31Å; Y368-F377 PolarHBondContact N-O 3.18Å; Y368-F377 VanDerWaalsContact N-O 3.11Å; Y368-F377 PolarHBondContact O-N 3.41Å; Y368-T378 WeakPolarHBondContact CE2-O 3.39Å; Y368-R379 VanDerWaalsContact CD2-C 3.41Å; Y368-Q380 HydrophobicContact CD1-CB 4.05Å; Y368-Q380 HydrophobicContact CD1-CG 4.42Å; Y368-Q380 HydrophobicContact CE1-CB 3.92Å; Y368-Q380 HydrophobicContact CE1-CG 4.45Å; Y368-Q380 HydrophobicContact CG-CB 4.44Å
369P73.9Confident73.6Confident56 Ų5675.3 Ų75.336%0.36440%0.396SS..EExtended strand (participates in β ladder)trans-70.3147.9171.231.8-35.5000111.4P367 K375 R376 L383P367-P369 WeakPolarHBondContact O-CD 3.4Å; P369-K375 CarbonylContact C-O 3.55Å; P369-R376 HydrophobicContact CB-CG 4.22Å; P369-L383 WeakPolarHBondContact O-CD2 3.42Å
370C79.8Confident73.8Confident5 Ų576.7 Ų76.73%0.03440%0.402CS..  trans-87.6116.5164.2-177.10000109.3T372 C373 G374 K375 F377 L383 H391C370-T372 PolarHBondContact O-N 3.47Å; C370-C373 PolarHBondContact O-N 2.89Å; C370-G374 VanDerWaalsContact O-CA 3.27Å; C370-G374 WeakPolarHBondContact O-CA 3.35Å; C370-G374 PolarHBondContact O-N 3.43Å; C370-K375 WeakPolarHBondContact CB-O 3.44Å; C370-K375 PolarHBondContact N-O 3.25Å; C370-F377 HydrophobicContact CB-CE2 4.25Å; C370-L383 HydrophobicContact CB-CD1 3.5Å; C370-L383 VanDerWaalsContact CB-CD1 3.5Å; C370-H391 PolarHBondContact SG-NE2 2.92Å; C370-H391 VanDerWaalsContact SG-NE2 3.43Å
371E74.9Confident73.6Confident144 Ų14477.5 Ų77.567%0.67341%0.408SS*.THydrogen-bonded Turntrans-60.9-30179.9-64.9169.2-171.600112.4
372T69.1Low73.8Confident102 Ų10276.8 Ų76.863%0.62640%0.395SS*.THydrogen-bonded Turntrans-79.2-22.7-177.4-38.20000114.4C370 H391C370-T372 PolarHBondContact O-N 3.47Å; T372-H391 HydrophobicContact CG2-CB 4.47Å
373C75Confident74.5Confident53 Ų5373.9 Ų73.936%0.35838%0.382SS..THydrogen-bonded Turntrans-14711.8-177.670.30000115.9C370 K375 H386 H391C370-C373 PolarHBondContact O-N 2.89Å; C373-K375 PolarHBondContact O-N 3.06Å; C373-H386 PolarHBondContact SG-NE2 3.27Å; C373-H391 PolarHBondContact SG-NE2 2.69Å
374G72.7Confident74.6Confident52 Ų5277.4 Ų77.454%0.53639%0.388SS..  trans69.3-12.2179.500000116.1C370 R376C370-G374 VanDerWaalsContact O-CA 3.27Å; C370-G374 WeakPolarHBondContact O-CA 3.35Å; C370-G374 PolarHBondContact O-N 3.43Å; G374-R376 WeakPolarHBondContact O-CG 3.3Å; G374-R376 PolarHBondContact O-N 3.08Å
375K73.8Confident74.7Confident123 Ų12376.3 Ų76.354%0.53537%0.373SS..  trans-61.2125.9-175.6-71.5-178.9179.4178.30111.5P369 C370 C373 F377P369-K375 CarbonylContact C-O 3.55Å; C370-K375 WeakPolarHBondContact CB-O 3.44Å; C370-K375 PolarHBondContact N-O 3.25Å; C373-K375 PolarHBondContact O-N 3.06Å; K375-F377 HydrophobicContact CB-CE2 3.9Å; K375-F377 HydrophobicContact CB-CZ 4.06Å; K375-F377 WeakPolarHBondContact O-CD2 3.24Å; K375-F377 VanDerWaalsContact O-CE2 3.23Å; K375-F377 WeakPolarHBondContact O-CE2 3.44Å
376R76.9Confident74.9Confident134 Ų13472.6 Ų72.651%0.50636%0.355SS..EExtended strand (participates in β ladder)trans-100.2138-175.8-50.3-172.266.11200.9112.1R366 Y368 P369 G374R366-R376 HydrophobicContact CB-CB 3.57Å; R366-R376 WeakPolarHBondContact CD-O 3.23Å; R366-R376 PolarHBondContact NE-O 3Å; R366-R376 PolarHBondContact O-NE 3.27Å; R366-R376 PolarHBondContact O-NH2 2.97Å; R366-R376 VanDerWaalsContact O-NH2 3.12Å; Y368-R376 CarbonylContact O-C 3.6Å; Y368-R376 WeakPolarHBondContact O-CA 3.31Å; P369-R376 HydrophobicContact CB-CG 4.22Å; G374-R376 WeakPolarHBondContact O-CG 3.3Å; G374-R376 PolarHBondContact O-N 3.08Å
377F77.6Confident74.8Confident35 Ų3567.4 Ų67.415%0.15434%0.344CS..EExtended strand (participates in β ladder)trans-121.1151.4-177.4-60.5-87.2000111.6R366 Y368 C370 K375 R379 H382 L383 H386R366-F377 CarbonylContact C-O 3.58Å; R366-F377 WeakPolarHBondContact CA-O 3.4Å; Y368-F377 PolarHBondContact N-O 3.18Å; Y368-F377 VanDerWaalsContact N-O 3.11Å; Y368-F377 PolarHBondContact O-N 3.41Å; C370-F377 HydrophobicContact CB-CE2 4.25Å; K375-F377 HydrophobicContact CB-CE2 3.9Å; K375-F377 HydrophobicContact CB-CZ 4.06Å; K375-F377 WeakPolarHBondContact O-CD2 3.24Å; K375-F377 VanDerWaalsContact O-CE2 3.23Å; K375-F377 WeakPolarHBondContact O-CE2 3.44Å; F377-R379 VanDerWaalsContact C-N 3.35Å; F377-H382 HydrophobicContact CB-CB 4.36Å; F377-H382 HydrophobicContact CD1-CB 3.91Å; F377-H382 HydrophobicContact CG-CB 4.4Å; F377-L383 HydrophobicContact CB-CB 4.28Å; F377-L383 HydrophobicContact CD2-CB 3.87Å; F377-L383 HydrophobicContact CD2-CD1 3.87Å; F377-L383 HydrophobicContact CD2-CG 4.46Å; F377-L383 HydrophobicContact CE2-CD1 4.05Å; F377-L383 HydrophobicContact CG-CB 4.21Å; F377-H386 HydrophobicContact CE1-CB 4Å; F377-H386 HydrophobicContact CE2-CB 4.05Å; F377-H386 AromaticContact CE2-CD2 3.39Å; F377-H386 WeakPolarHBondContact CE2-CD2 3.46Å; F377-H386 AromaticContact CE2-CG 3.79Å; F377-H386 HydrophobicContact CZ-CB 3.54Å; F377-H386 AromaticContact CZ-CD2 3.34Å; F377-H386 WeakPolarHBondContact CZ-CD2 3.3Å; F377-H386 AromaticContact CZ-CG 3.28Å; F377-H386 AromaticContact CZ-ND1 3.85Å; F377-H386 AromaticContact CZ-NE2 3.91Å
378T72.4Confident74.5Confident45 Ų4567.9 Ų67.928%0.27634%0.343SS..SBendtrans-78.6-19.5176.652.90000112.8R366 Y368R366-T378 HydrophobicContact CG-CG2 3.76Å; Y368-T378 WeakPolarHBondContact CE2-O 3.39Å
379R76.5Confident73.8Confident85 Ų8566.5 Ų66.532%0.32134%0.344SS..SBendtrans-140.4143.8-179.1-48.5-177.4-170.1173.75.6112.1R357 Y368 F377 E381 H382 L383R357-R379 HydrophobicContact CG-CG 4.35Å; Y368-R379 VanDerWaalsContact CD2-C 3.41Å; F377-R379 VanDerWaalsContact C-N 3.35Å; R379-E381 VanDerWaalsContact C-N 3.3Å; R379-E381 HydrophobicContact CB-CG 3.91Å; R379-E381 WeakPolarHBondContact CD-OE1 3.26Å; R379-E381 IonicContact CZ-OE1 3.13Å; R379-E381 IonicContact NE-OE1 3.4Å; R379-E381 IonicContact NH1-OE1 2.72Å; R379-E381 PolarHBondContact NH1-OE1 3.12Å; R379-E381 PolarHBondContact O-N 3.34Å; R379-H382 PolarHBondContact O-N 3.26Å; R379-L383 PolarHBondContact O-N 3.48Å
380Q74.8Confident73.3Confident71 Ų7167 Ų6733%0.33235%0.346SS..Hα-helixtrans-62.4-33.1177.5-165.6-172.814.700113.1Y368 H382 L383 R384Y368-Q380 HydrophobicContact CD1-CB 4.05Å; Y368-Q380 HydrophobicContact CD1-CG 4.42Å; Y368-Q380 HydrophobicContact CE1-CB 3.92Å; Y368-Q380 HydrophobicContact CE1-CG 4.45Å; Y368-Q380 HydrophobicContact CG-CB 4.44Å; Q380-H382 VanDerWaalsContact C-N 3.3Å; Q380-H382 PolarHBondContact O-N 2.93Å; Q380-L383 PolarHBondContact O-N 3.34Å; Q380-R384 WeakPolarHBondContact O-CB 3.33Å; Q380-R384 PolarHBondContact O-N 3.37Å
381E73.9Confident72.7Confident76 Ų7669.5 Ų69.536%0.35536%0.357SS..Hα-helixtrans-62.6-34.8176.468.3-158.9-170.600112.9R379 S385R379-E381 VanDerWaalsContact C-N 3.3Å; R379-E381 HydrophobicContact CB-CG 3.91Å; R379-E381 WeakPolarHBondContact CD-OE1 3.26Å; R379-E381 IonicContact CZ-OE1 3.13Å; R379-E381 IonicContact NE-OE1 3.4Å; R379-E381 IonicContact NH1-OE1 2.72Å; R379-E381 PolarHBondContact NH1-OE1 3.12Å; R379-E381 PolarHBondContact O-N 3.34Å; E381-S385 WeakPolarHBondContact O-CB 3.12Å; E381-S385 PolarHBondContact O-N 3.38Å; E381-S385 PolarHBondContact O-OG 3.01Å
382H74.9Confident72Confident69 Ų6967.1 Ų67.132%0.31934%0.342SS..Hα-helixtrans-75-41.1175.3-61-43.9000111.2F377 R379 Q380 R384 S385 H386F377-H382 HydrophobicContact CB-CB 4.36Å; F377-H382 HydrophobicContact CD1-CB 3.91Å; F377-H382 HydrophobicContact CG-CB 4.4Å; R379-H382 PolarHBondContact O-N 3.26Å; Q380-H382 VanDerWaalsContact C-N 3.3Å; Q380-H382 PolarHBondContact O-N 2.93Å; H382-R384 PolarHBondContact O-N 3.39Å; H382-S385 PolarHBondContact O-N 3.27Å; H382-H386 WeakPolarHBondContact O-CB 3.24Å; H382-H386 PolarHBondContact O-N 3.07Å
383L79.1Confident71.1Confident18 Ų1864.8 Ų64.89%0.09433%0.33CS..Hα-helixtrans-58-46.6171.3171.260.3000111.5P369 C370 F377 R379 Q380 H386 A387P369-L383 WeakPolarHBondContact O-CD2 3.42Å; C370-L383 HydrophobicContact CB-CD1 3.5Å; C370-L383 VanDerWaalsContact CB-CD1 3.5Å; F377-L383 HydrophobicContact CB-CB 4.28Å; F377-L383 HydrophobicContact CD2-CB 3.87Å; F377-L383 HydrophobicContact CD2-CD1 3.87Å; F377-L383 HydrophobicContact CD2-CG 4.46Å; F377-L383 HydrophobicContact CE2-CD1 4.05Å; F377-L383 HydrophobicContact CG-CB 4.21Å; R379-L383 PolarHBondContact O-N 3.48Å; Q380-L383 PolarHBondContact O-N 3.34Å; L383-H386 WeakPolarHBondContact O-CB 3.24Å; L383-H386 PolarHBondContact O-N 3.1Å; L383-A387 PolarHBondContact O-N 3.36Å
384R72.1Confident69.9Low137 Ų13769.6 Ų69.652%0.51735%0.352SS..Hα-helixtrans-61.5-48.7177-168.9-175.4-62.9119.40.4111.2Q380 H382 H386 A387 L388Q380-R384 WeakPolarHBondContact O-CB 3.33Å; Q380-R384 PolarHBondContact O-N 3.37Å; H382-R384 PolarHBondContact O-N 3.39Å; R384-H386 VanDerWaalsContact C-N 3.26Å; R384-H386 PolarHBondContact O-N 2.66Å; R384-A387 PolarHBondContact O-N 3.45Å; R384-L388 HydrophobicContact CG-CD1 4.13Å; R384-L388 HydrophobicContact CG-CG 4.47Å; R384-L388 WeakPolarHBondContact O-CB 3.5Å; R384-L388 VanDerWaalsContact O-CG 3.24Å; R384-L388 WeakPolarHBondContact O-CG 3.48Å; R384-L388 PolarHBondContact O-N 2.82Å
385S67.8Low68.8Low29 Ų2973.5 Ų73.520%0.20335%0.351CS..Hα-helixtrans-60.1-37.2177-56.30000112E381 H382 S389E381-S385 WeakPolarHBondContact O-CB 3.12Å; E381-S385 PolarHBondContact O-N 3.38Å; E381-S385 PolarHBondContact O-OG 3.01Å; H382-S385 PolarHBondContact O-N 3.27Å; S385-S389 WeakPolarHBondContact O-CB 3.4Å; S385-S389 PolarHBondContact O-N 3.32Å; S385-S389 PolarHBondContact O-OG 3.32Å
386H76.9Confident67.9Low21 Ų2171 Ų7110%0.09735%0.347CS..Hα-helixtrans-66.2-49.3175.5171.662.9000112C373 F377 H382 L383 R384 L388 S389 V390 H391C373-H386 PolarHBondContact SG-NE2 3.27Å; F377-H386 HydrophobicContact CE1-CB 4Å; F377-H386 HydrophobicContact CE2-CB 4.05Å; F377-H386 AromaticContact CE2-CD2 3.39Å; F377-H386 WeakPolarHBondContact CE2-CD2 3.46Å; F377-H386 AromaticContact CE2-CG 3.79Å; F377-H386 HydrophobicContact CZ-CB 3.54Å; F377-H386 AromaticContact CZ-CD2 3.34Å; F377-H386 WeakPolarHBondContact CZ-CD2 3.3Å; F377-H386 AromaticContact CZ-CG 3.28Å; F377-H386 AromaticContact CZ-ND1 3.85Å; F377-H386 AromaticContact CZ-NE2 3.91Å; H382-H386 WeakPolarHBondContact O-CB 3.24Å; H382-H386 PolarHBondContact O-N 3.07Å; L383-H386 WeakPolarHBondContact O-CB 3.24Å; L383-H386 PolarHBondContact O-N 3.1Å; R384-H386 VanDerWaalsContact C-N 3.26Å; R384-H386 PolarHBondContact O-N 2.66Å; H386-L388 VanDerWaalsContact C-N 3.33Å; H386-L388 PolarHBondContact O-N 2.89Å; H386-S389 PolarHBondContact O-N 3.43Å; H386-S389 PolarHBondContact O-OG 3.03Å; H386-V390 WeakPolarHBondContact ND1-CG2 3.36Å; H386-V390 WeakPolarHBondContact O-CB 2.83Å; H386-V390 PolarHBondContact O-N 2.92Å; H386-H391 AromaticContact NE2-NE2 3.63Å
387A71.8Confident67Low36 Ų3667 Ų6730%0.29834%0.335SS..Iπ-helixtrans-60.2-42.7176.400000112.1L383 R384 S389 H391 R392L383-A387 PolarHBondContact O-N 3.36Å; R384-A387 PolarHBondContact O-N 3.45Å; A387-S389 VanDerWaalsContact C-N 3.33Å; A387-S389 PolarHBondContact O-N 2.87Å; A387-H391 WeakPolarHBondContact O-CB 3.33Å; A387-H391 PolarHBondContact O-N 2.92Å; A387-H391 VanDerWaalsContact O-N 3.07Å; A387-R392 PolarHBondContact O-N 3.32Å; A387-R392 VanDerWaalsContact O-N 3.08Å
388L69.9Low66.1Low61 Ų6168.9 Ų68.932%0.31935%0.346SS..Iπ-helixtrans-65.2-30.8177-69176.3000113.9R384 H386 R392R384-L388 HydrophobicContact CG-CD1 4.13Å; R384-L388 HydrophobicContact CG-CG 4.47Å; R384-L388 WeakPolarHBondContact O-CB 3.5Å; R384-L388 VanDerWaalsContact O-CG 3.24Å; R384-L388 WeakPolarHBondContact O-CG 3.48Å; R384-L388 PolarHBondContact O-N 2.82Å; H386-L388 VanDerWaalsContact C-N 3.33Å; H386-L388 PolarHBondContact O-N 2.89Å; L388-R392 WeakPolarHBondContact O-CB 3.37Å
389S65.2Low65.5Low44 Ų4466.8 Ų66.831%0.30833%0.333SS..Iπ-helixtrans-95.5-35.2-177.752.90000114S385 H386 A387S385-S389 WeakPolarHBondContact O-CB 3.4Å; S385-S389 PolarHBondContact O-N 3.32Å; S385-S389 PolarHBondContact O-OG 3.32Å; H386-S389 PolarHBondContact O-N 3.43Å; H386-S389 PolarHBondContact O-OG 3.03Å; A387-S389 VanDerWaalsContact C-N 3.33Å; A387-S389 PolarHBondContact O-N 2.87Å
390V64.6Low64.6Low66 Ų6669.4 Ų69.440%0.435%0.347SS..Iπ-helixtrans-101.4-34.5-171.8-178.40000112.8H386 S393H386-V390 WeakPolarHBondContact ND1-CG2 3.36Å; H386-V390 WeakPolarHBondContact O-CB 2.83Å; H386-V390 PolarHBondContact O-N 2.92Å; V390-S393 PolarHBondContact O-OG 2.97Å
391H66.1Low64Low59 Ų5969 Ų6927%0.27336%0.362SS..Iπ-helixtrans-101.3-26.8-177.9-60.1-47.9000113.1C370 T372 C373 H386 A387 S393C370-H391 PolarHBondContact SG-NE2 2.92Å; C370-H391 VanDerWaalsContact SG-NE2 3.43Å; T372-H391 HydrophobicContact CG2-CB 4.47Å; C373-H391 PolarHBondContact SG-NE2 2.69Å; H386-H391 AromaticContact NE2-NE2 3.63Å; A387-H391 WeakPolarHBondContact O-CB 3.33Å; A387-H391 PolarHBondContact O-N 2.92Å; A387-H391 VanDerWaalsContact O-N 3.07Å; H391-S393 PolarHBondContact O-N 3.17Å
392R60.5Low63.6Low94 Ų9467.2 Ų67.236%0.35536%0.357SS..G310 helixtrans-74.9-2.4171.3-133.7178-174.893.9-10113.7A387 L388 N394 R395A387-R392 PolarHBondContact O-N 3.32Å; A387-R392 VanDerWaalsContact O-N 3.08Å; L388-R392 WeakPolarHBondContact O-CB 3.37Å; R392-N394 PolarHBondContact O-N 3.25Å; R392-R395 PolarHBondContact O-N 2.91Å
393S51.4Low62.9Low53 Ų5374.1 Ų74.137%0.37138%0.38SS..G310 helixtrans-63.8-19.5-179.554.60000114.4V390 H391V390-S393 PolarHBondContact O-OG 2.97Å; H391-S393 PolarHBondContact O-N 3.17Å
394N49.5Very low61.9Low154 Ų15479.9 Ų79.982%0.82440%0.401SS*.G310 helixtrans-93.43-177.9-76.60.6000115R392R392-N394 PolarHBondContact O-N 3.25Å
395R49.8Very low61.1Low134 Ų13477.9 Ų77.951%0.50640%0.404SS..SBendtrans-123.2127-178.5-155.2168.2178.6157.4-3.3110.7R392 D431R392-R395 PolarHBondContact O-N 2.91Å; R395-D431 IonicContact CZ-OD2 2.8Å; R395-D431 IonicContact NE-OD2 2.68Å; R395-D431 VanDerWaalsContact NH2-CG 3.3Å; R395-D431 IonicContact NH2-OD2 3.26Å; R395-D431 PolarHBondContact NH2-OD2 3.5Å
396P54.4Low60.8Low71 Ų7179.2 Ų79.246%0.46141%0.406SS..  trans-67.2134.7-179.626.5-33.7000111.8T407P396-T407 HydrophobicContact CB-CG2 3.61Å
397I57.4Low59.8Low49 Ų4981.9 Ų81.925%0.25142%0.424SS..EExtended strand (participates in β ladder)trans-100.3134.8175.3-58173.7000109.2T405 F406 T427I397-T405 WeakPolarHBondContact O-CA 3.43Å; I397-F406 PolarHBondContact N-O 3.42Å; I397-F406 VanDerWaalsContact N-O 3.16Å; I397-F406 PolarHBondContact O-N 3.37Å; I397-T427 HydrophobicContact CG2-CG2 4Å
398I58.4Low58.8Low74 Ų7483.6 Ų83.638%0.37943%0.434SS..EExtended strand (participates in β ladder)trans-111.1121.7178.4-56.2168.3000108.8T405I398-T405 HydrophobicContact CD1-CG2 4.35Å; I398-T405 HydrophobicContact CG1-CG2 3.7Å
399C61.6Low57.9Low1 Ų188.1 Ų88.11%0.00745%0.453CS..  trans-78.5127.3171.5170.10000111.1G401 C402 R403 R404 C420 C423 C425 T427C399-G401 VanDerWaalsContact C-N 3.28Å; C399-G401 PolarHBondContact O-N 2.87Å; C399-G401 PolarHBondContact SG-N 2.9Å; C399-C402 VanDerWaalsContact CB-SG 3.59Å; C399-C402 PolarHBondContact SG-N 3.4Å; C399-C402 VanDerWaalsContact SG-N 3.45Å; C399-C402 VanDerWaalsContact SG-SG 3.7Å; C399-R403 WeakPolarHBondContact O-CA 3.42Å; C399-R403 PolarHBondContact O-N 3.24Å; C399-R404 PolarHBondContact N-O 3.4Å; C399-C420 HydrophobicContact CB-CB 3.88Å; C399-C423 PolarHBondContact SG-SG 2.86Å; C399-C425 WeakPolarHBondContact CB-SG 3.37Å; C399-C425 WeakPolarHBondContact SG-CB 3.34Å; C399-C425 CovalentContact SG-SG 2.04Å; C399-C425 PolarHBondContact SG-SG 3.46Å; C399-T427 HydrophobicContact CB-CG2 4.08Å
400K57Low57.4Low140 Ų14087.8 Ų87.861%0.60945%0.448SS*.THydrogen-bonded Turntrans-59.9-34.2175.7-71-176.4176.4175.40113.3D428K400-D428 WeakPolarHBondContact CE-OD2 3.03Å; K400-D428 IonicContact NZ-OD2 3.5Å; K400-D428 PolarHBondContact NZ-OD2 3.34Å
401G61.8Low57Low63 Ų6387.6 Ų87.665%0.64945%0.449SS*.THydrogen-bonded Turntrans-73.2-52.3-179.400000114.6C399C399-G401 VanDerWaalsContact C-N 3.28Å; C399-G401 PolarHBondContact O-N 2.87Å; C399-G401 PolarHBondContact SG-N 2.9Å
402C66.6Low56.4Low38 Ų3892.6 Ų92.626%0.25747%0.473SS..THydrogen-bonded Turntrans-102.4-2.9-175.771.70000114.8C399 R404C399-C402 VanDerWaalsContact CB-SG 3.59Å; C399-C402 PolarHBondContact SG-N 3.4Å; C399-C402 VanDerWaalsContact SG-N 3.45Å; C399-C402 VanDerWaalsContact SG-SG 3.7Å; C402-R404 PolarHBondContact O-N 3.04Å
403R58.4Low56.2Low215 Ų21590 Ų9081%0.81148%0.475SS*.  trans55.310.4178.5-59.6-172.8179.4-1680.1116.6C399C399-R403 WeakPolarHBondContact O-CA 3.42Å; C399-R403 PolarHBondContact O-N 3.24Å
404R58.2Low56.4Low139 Ų13989.6 Ų89.653%0.52547%0.468SS..  trans-80.1137.6176.4-71.5172179.9162.3-1.1110.7C399 C402 F406 S422C399-R404 PolarHBondContact N-O 3.4Å; C402-R404 PolarHBondContact O-N 3.04Å; R404-F406 HydrophobicContact CB-CD2 4.18Å; R404-F406 HydrophobicContact CB-CE1 4.01Å; R404-F406 HydrophobicContact CB-CE2 3.37Å; R404-F406 HydrophobicContact CB-CZ 3.29Å; R404-F406 HydrophobicContact CG-CZ 4.11Å; R404-F406 WeakPolarHBondContact O-CD2 3.42Å; R404-F406 WeakPolarHBondContact O-CE2 3.45Å; R404-S422 PolarHBondContact NH1-OG 2.94Å
405T55.3Low56.7Low95 Ų9585.4 Ų85.458%0.58344%0.441SS*.EExtended strand (participates in β ladder)trans-81.4128.5166.934.60000109.7I397 I398I397-T405 WeakPolarHBondContact O-CA 3.43Å; I398-T405 HydrophobicContact CD1-CG2 4.35Å; I398-T405 HydrophobicContact CG1-CG2 3.7Å
406F62Low56.9Low56 Ų5686 Ų8625%0.24644%0.443CS..EExtended strand (participates in β ladder)trans-127.8124.7175.6-55.4-82.3000110.5I397 R404 C420I397-F406 PolarHBondContact N-O 3.42Å; I397-F406 VanDerWaalsContact N-O 3.16Å; I397-F406 PolarHBondContact O-N 3.37Å; R404-F406 HydrophobicContact CB-CD2 4.18Å; R404-F406 HydrophobicContact CB-CE1 4.01Å; R404-F406 HydrophobicContact CB-CE2 3.37Å; R404-F406 HydrophobicContact CB-CZ 3.29Å; R404-F406 HydrophobicContact CG-CZ 4.11Å; R404-F406 WeakPolarHBondContact O-CD2 3.42Å; R404-F406 WeakPolarHBondContact O-CE2 3.45Å; F406-C420 WeakPolarHBondContact CE2-SG 3.4Å
407T55.4Low56.9Low77 Ų7789.1 Ų89.147%0.47245%0.45SS..SBendtrans-114.7-51.3179.545.60000111.8P396 R415P396-T407 HydrophobicContact CB-CG2 3.61Å; T407-R415 PolarHBondContact O-NH1 2.92Å; T407-R415 PolarHBondContact O-NH2 2.95Å
408S51.6Low57Low72 Ų7288 Ų8850%0.50345%0.451SS..SBendtrans-102.7-40.7-164.651.80000116.4R415S408-R415 PolarHBondContact O-NH2 3.42Å
409H51.4Low57Low157 Ų15786.7 Ų86.773%0.72744%0.444SS*.  trans-113.191.9-169.2-56.4-70.8000113.4
410L55.1Low57.1Low37 Ų3786.8 Ų86.819%0.19445%0.445CS..  trans-132.4144.1160-118.769.7000107.3L414 R415 L419 D421L410-L414 HydrophobicContact CD2-CB 3.93Å; L410-L414 HydrophobicContact CG-CB 4.22Å; L410-R415 HydrophobicContact CB-CG 3.74Å; L410-R415 HydrophobicContact CD2-CG 3.85Å; L410-R415 HydrophobicContact CG-CG 4.48Å; L410-L419 WeakPolarHBondContact CD2-O 3.43Å; L410-D421 HydrophobicContact CD1-CB 3.69Å; L410-D421 HydrophobicContact CG-CB 4.09Å
411S54.4Low57.3Low62 Ų6284.6 Ų84.643%0.43444%0.44SS..  trans-56.4143.7165.663.30000110.5G413 L414 R415S411-G413 PolarHBondContact O-N 3.34Å; S411-G413 VanDerWaalsContact O-N 3.08Å; S411-L414 PolarHBondContact O-N 2.94Å; S411-L414 VanDerWaalsContact O-N 3.1Å; S411-R415 PolarHBondContact O-N 2.92Å
412Q55.2Low57.3Low164 Ų16484.7 Ų84.777%0.76643%0.43SS*.Hα-helixtrans-61.2-24.7-173-163.9171.414.200112.7
413G55Low57.3Low39 Ų3985.3 Ų85.340%0.40244%0.435SS..Hα-helixtrans-64.3-54.2171.200000113.2S411 R415 R416 F417S411-G413 PolarHBondContact O-N 3.34Å; S411-G413 VanDerWaalsContact O-N 3.08Å; G413-R415 VanDerWaalsContact C-N 3.34Å; G413-R415 PolarHBondContact O-N 2.9Å; G413-R416 VanDerWaalsContact O-CB 3.29Å; G413-R416 WeakPolarHBondContact O-CB 3.4Å; G413-R416 PolarHBondContact O-N 3.22Å; G413-R416 VanDerWaalsContact O-N 3.09Å; G413-F417 WeakPolarHBondContact O-CD2 3.48Å
414L55.3Low57.4Low44 Ų4480.1 Ų80.123%0.2343%0.427CS..Hα-helixtrans-67.7-31.9-175.5-90.971000113.1L410 S411 R416 F417 G418 L419 D421L410-L414 HydrophobicContact CD2-CB 3.93Å; L410-L414 HydrophobicContact CG-CB 4.22Å; S411-L414 PolarHBondContact O-N 2.94Å; S411-L414 VanDerWaalsContact O-N 3.1Å; L414-R416 PolarHBondContact O-N 3.41Å; L414-F417 PolarHBondContact O-N 3.45Å; L414-G418 PolarHBondContact O-N 3.4Å; L414-G418 VanDerWaalsContact O-N 3.11Å; L414-L419 HydrophobicContact CD2-CB 4.41Å; L414-L419 HydrophobicContact CG-CB 4.2Å; L414-L419 PolarHBondContact O-N 3.33Å; L414-D421 HydrophobicContact CD2-CB 4.18Å
415R56.8Low57.6Low66 Ų6674.6 Ų74.625%0.24941%0.41CS..Hα-helixtrans-59.7-34.3172.1-89.4176.7-161.7-89.611.2112.5T407 S408 L410 S411 G413 F417T407-R415 PolarHBondContact O-NH1 2.92Å; T407-R415 PolarHBondContact O-NH2 2.95Å; S408-R415 PolarHBondContact O-NH2 3.42Å; L410-R415 HydrophobicContact CB-CG 3.74Å; L410-R415 HydrophobicContact CD2-CG 3.85Å; L410-R415 HydrophobicContact CG-CG 4.48Å; S411-R415 PolarHBondContact O-N 2.92Å; G413-R415 VanDerWaalsContact C-N 3.34Å; G413-R415 PolarHBondContact O-N 2.9Å; R415-F417 VanDerWaalsContact C-N 3.27Å; R415-F417 PolarHBondContact O-N 3.35Å
416R53.1Low57.7Low146 Ų14675 Ų7555%0.55141%0.412SS*.Hα-helixtrans-67.9-27.3179.5-170.2179.4179.7-168.8-4.6112.7G413 L414G413-R416 VanDerWaalsContact O-CB 3.29Å; G413-R416 WeakPolarHBondContact O-CB 3.4Å; G413-R416 PolarHBondContact O-N 3.22Å; G413-R416 VanDerWaalsContact O-N 3.09Å; L414-R416 PolarHBondContact O-N 3.41Å
417F55.3Low57.4Low138 Ų13873.5 Ų73.561%0.60541%0.407SS*.Hα-helixtrans-104.8-2.7-177.1-62-68.9000114.1G413 L414 R415 L419G413-F417 WeakPolarHBondContact O-CD2 3.48Å; L414-F417 PolarHBondContact O-N 3.45Å; R415-F417 VanDerWaalsContact C-N 3.27Å; R415-F417 PolarHBondContact O-N 3.35Å; F417-L419 VanDerWaalsContact C-N 3.29Å; F417-L419 HydrophobicContact CB-CD1 3.84Å; F417-L419 HydrophobicContact CB-CG 3.76Å; F417-L419 PolarHBondContact O-N 2.96Å
418G58.8Low57Low26 Ų2673.8 Ų73.827%0.26841%0.406SS..THydrogen-bonded Turntrans64.633.5-177.400000113.1L414 T427L414-G418 PolarHBondContact O-N 3.4Å; L414-G418 VanDerWaalsContact O-N 3.11Å; G418-T427 PolarHBondContact O-N 2.96Å; G418-T427 PolarHBondContact O-OG1 3.27Å
419L59.6Low56.8Low45 Ų4572.7 Ų72.724%0.23640%0.396CS..BIsolated β-bridgetrans-103.8135.4-176-60.4179.3000111.4L410 L414 F417 D421 C425 V426L410-L419 WeakPolarHBondContact CD2-O 3.43Å; L414-L419 HydrophobicContact CD2-CB 4.41Å; L414-L419 HydrophobicContact CG-CB 4.2Å; L414-L419 PolarHBondContact O-N 3.33Å; F417-L419 VanDerWaalsContact C-N 3.29Å; F417-L419 HydrophobicContact CB-CD1 3.84Å; F417-L419 HydrophobicContact CB-CG 3.76Å; F417-L419 PolarHBondContact O-N 2.96Å; L419-D421 PolarHBondContact O-N 2.94Å; L419-C425 WeakPolarHBondContact CA-O 3.47Å; L419-V426 HydrophobicContact CD2-CG2 3.85Å
420C63.6Low56.5Low4 Ų468.7 Ų68.73%0.02738%0.384CS..  trans-73126175179.60000112.2C399 F406 S422 C423 T424 C425C399-C420 HydrophobicContact CB-CB 3.88Å; F406-C420 WeakPolarHBondContact CE2-SG 3.4Å; C420-S422 PolarHBondContact O-N 2.95Å; C420-S422 VanDerWaalsContact O-N 3.15Å; C420-C423 PolarHBondContact O-N 3.34Å; C420-T424 WeakPolarHBondContact O-CA 3.45Å; C420-T424 PolarHBondContact O-N 3.41Å; C420-C425 WeakPolarHBondContact CB-SG 3.45Å; C420-C425 PolarHBondContact N-O 2.93Å; C420-C425 VanDerWaalsContact N-O 3.13Å
421D60.6Low55.7Low93 Ų9371.5 Ų71.550%0.49740%0.399SS..THydrogen-bonded Turntrans-57.4-28.3178.7-156.657.7000113.7L410 L414 L419L410-D421 HydrophobicContact CD1-CB 3.69Å; L410-D421 HydrophobicContact CG-CB 4.09Å; L414-D421 HydrophobicContact CD2-CB 4.18Å; L419-D421 PolarHBondContact O-N 2.94Å
422S62.6Low55.3Low65 Ų6574.6 Ų74.646%0.45541%0.411SS..THydrogen-bonded Turntrans-90.6-15-177.8-175.90000115R404 C420R404-S422 PolarHBondContact NH1-OG 2.94Å; C420-S422 PolarHBondContact O-N 2.95Å; C420-S422 VanDerWaalsContact O-N 3.15Å
423C66.4Low54.7Low51 Ų5173.7 Ų73.735%0.34541%0.411SS..THydrogen-bonded Turntrans-159.313-171.870.60000115.7C399 C420 C425C399-C423 PolarHBondContact SG-SG 2.86Å; C420-C423 PolarHBondContact O-N 3.34Å; C423-C425 PolarHBondContact O-N 3.37Å
424T59.7Low54.1Low107 Ų10778.7 Ų78.766%0.65643%0.429SS*.  trans48.519.3176.754.20000116.5C420C420-T424 WeakPolarHBondContact O-CA 3.45Å; C420-T424 PolarHBondContact O-N 3.41Å
425C62.5Low53.3Low23 Ų2383.8 Ų83.816%0.15546%0.456CS..  trans-62.4139.6174.6770000109.8C399 L419 C420 C423C399-C425 WeakPolarHBondContact CB-SG 3.37Å; C399-C425 WeakPolarHBondContact SG-CB 3.34Å; C399-C425 CovalentContact SG-SG 2.04Å; C399-C425 PolarHBondContact SG-SG 3.46Å; L419-C425 WeakPolarHBondContact CA-O 3.47Å; C420-C425 WeakPolarHBondContact CB-SG 3.45Å; C420-C425 PolarHBondContact N-O 2.93Å; C420-C425 VanDerWaalsContact N-O 3.13Å; C423-C425 PolarHBondContact O-N 3.37Å
426V56.5Low52.5Low103 Ų10387 Ų8762%0.62448%0.478SS*.BIsolated β-bridgetrans-70.4128.5160.3-178.50000107.4L419L419-V426 HydrophobicContact CD2-CG2 3.85Å
427T57Low51.4Low25 Ų2588 Ų8815%0.15349%0.49CS..  trans-95.5110.7175.565.90000110.4I397 C399 G418I397-T427 HydrophobicContact CG2-CG2 4Å; C399-T427 HydrophobicContact CB-CG2 4.08Å; G418-T427 PolarHBondContact O-N 2.96Å; G418-T427 PolarHBondContact O-OG1 3.27Å
428D47.2Very low50.3Low82 Ų8286.5 Ų86.544%0.43950%0.495SS..PPolyproline II helixtrans-71.2135.6157.7-43.6-49.6000107.9K400K400-D428 WeakPolarHBondContact CE-OD2 3.03Å; K400-D428 IonicContact NZ-OD2 3.5Å; K400-D428 PolarHBondContact NZ-OD2 3.34Å
429T47.6Very low49.2Very low50 Ų5089 Ų8931%0.30751%0.505SS..PPolyproline II helixtrans-64.5137.3170.532.30000109.9
430P43.4Very low47.8Very low72 Ų7292 Ų9247%0.46852%0.521SS..SBendtrans-61.7151145.732.7-31.9000106.9
431D39.4Very low46.9Very low96 Ų9697.8 Ų97.851%0.51355%0.551SS.*  trans75.149.1-173.3-28.3-48.5000112.3R395R395-D431 IonicContact CZ-OD2 2.8Å; R395-D431 IonicContact NE-OD2 2.68Å; R395-D431 VanDerWaalsContact NH2-CG 3.3Å; R395-D431 IonicContact NH2-OD2 3.26Å; R395-D431 PolarHBondContact NH2-OD2 3.5Å
432D45.2Very low45.5Very low128 Ų12897.6 Ų97.668%0.68456%0.557SS**  -63144.1122.9-69.6-59.2000106.9
433D43.3Very low44.3Very low144 Ų144101.8 Ų101.877%0.7757%0.573SS**SBendtrans81.3112.6-167.9-51.6-41.4000115.6
434D43.3Very low42.6Very low144 Ų144108.2 Ų108.277%0.7760%0.601SS**SBendtrans68.2142.9164.7-56.4-48.7000121
435D38.3Very low41.5Very low152 Ų152112 Ų11281%0.81361%0.611SS**  trans69.924172.6-65.5-32.8000120.7
436L38.3Very low39.9Very low132 Ų132114.9 Ų114.969%0.69164%0.636SS**  trans-109.793.6147-74.8-177.5000110.1
437M31Very low38.6Very low167 Ų167115.5 Ų115.582%0.82365%0.645SS**PPolyproline II helixtrans-48.5123169.6-71-63.3-70.300109.4V439M437-V439 PolarHBondContact O-N 3.45Å
438P32.2Very low37.5Very low107 Ų107119.2 Ų119.270%0.69567%0.672SS**PPolyproline II helixtrans-64.2128.3177.826-32.7000108.4N440P438-N440 PolarHBondContact O-N 3.35Å
439V35.1Very low36.8Very low80 Ų80124.9 Ų124.949%0.48570%0.696SS.*PPolyproline II helixtrans-47.1118.2168.91750000107.3M437 L441M437-V439 PolarHBondContact O-N 3.45Å; V439-L441 PolarHBondContact O-N 3.24Å
440N31.7Very low36Very low108 Ų108127.4 Ų127.458%0.57872%0.716SS**  trans-66.3104.6-164-172.1-40000110.1P438 S442P438-N440 PolarHBondContact O-N 3.35Å; N440-S442 VanDerWaalsContact C-N 3.35Å; N440-S442 PolarHBondContact OD1-N 2.98Å; N440-S442 VanDerWaalsContact OD1-N 3.08Å; N440-S442 PolarHBondContact OD1-OG 3.03Å
441L44.7Very low35.2Very low124 Ų124132.4 Ų132.465%0.64973%0.733SS**  trans-903.9-174.1-97.5143000113.1V439V439-L441 PolarHBondContact O-N 3.24Å
442S29.3Very low35.2Very low89 Ų89136.5 Ų136.562%0.62275%0.749SS**  trans-11112.2-166.966.10000115.8N440N440-S442 VanDerWaalsContact C-N 3.35Å; N440-S442 PolarHBondContact OD1-N 2.98Å; N440-S442 VanDerWaalsContact OD1-N 3.08Å; N440-S442 PolarHBondContact OD1-OG 3.03Å
443L37.5Very low34.2Very low153 Ų153140 Ų14080%0.80176%0.759SS**SBendtrans-126.552.9179-150.480000115
444M32.7Very low33.5Very low186 Ų186137.2 Ų137.292%0.91675%0.75SS**SBendtrans-16826.2140.5-107166-177.400114.3A446M444-A446 PolarHBondContact O-N 3.33Å
445E34.9Very low32.8Very low186 Ų186136.9 Ų136.987%0.86975%0.748SS**  trans-75.869.9165.1-69.6-163.613800110.7
446A30Very low32.3Very low84 Ų84135.9 Ų135.969%0.69475%0.748SS**  trans-150.858.6175.500000111.8M444M444-A446 PolarHBondContact O-N 3.33Å
447S27.8Very low32.4Very low116 Ų116136.8 Ų136.881%0.81175%0.753SS**SBendtrans-179.2129.6140.6-85.40000114.9
448S35.1Very low32.3Very low103 Ų103135.9 Ų135.972%0.7275%0.752SS**  trans78.652.2152.175.90000120.8
449E31.4Very low32.4Very low201 Ų201138 Ų13894%0.93976%0.758SS**SBend-124.5126.9118.2-62-177.6125.800104
450S30.6Very low32.1Very low104 Ų104145.6 Ų145.673%0.72778%0.778SS**  cis-157.4146.819.752.50000110.7
451Q27.5Very low32.1Very low177 Ų177145.9 Ų145.983%0.82779%0.785SS**  trans-178.6147.2137.5-154.267.31400109.5
452E38.8Very low31.4Very low181 Ų181147.4 Ų147.485%0.84679%0.792SS**  trans-78.4140-177.7-54.7166.611800113
453K25.7Very low31.4Very low203 Ų203151.8 Ų151.888%0.88380%0.797SS**  trans-157.1154.6145.4-147167.3-178.1179.10112.1
454S28.7Very low31Very low84 Ų84149.7 Ų149.759%0.58779%0.79SS**  trans-76.9168.4-17655.70000114.4
455D27.3Very low30.8Very low137 Ų137147.9 Ų147.973%0.73378%0.779SS**  trans88.7141152-54.4-51.6000121.1
456T28Very low30.6Very low132 Ų132144.2 Ų144.281%0.8177%0.774SS**  trans71129.3164.548.50000120
457D40.3Very low30.6Very low150 Ų150143.6 Ų143.680%0.80278%0.776SS**  trans-45.5149.2156.5-56.8-84.3000112.2
458N29Very low30.7Very low149 Ų149146.5 Ų146.580%0.79778%0.777SS**  trans-167.8153.9138.3-98.8-54.7000111.3
459D33.6Very low30.5Very low152 Ų152149.5 Ų149.581%0.81378%0.779SS**PPolyproline II helixtrans-55.8150.6-179.3-75.2-58.8000114.4
460W30.6Very low30.5Very low239 Ų239147.8 Ų147.891%0.90578%0.776SS**PPolyproline II helixtrans-91.9124.1157.5-73.787.3000108.7I462W460-I462 PolarHBondContact O-N 2.93Å
461P31.2Very low30.6Very low114 Ų114149.8 Ų149.874%0.7478%0.779SS**PPolyproline II helixtrans-67.1129.6-173.926.3-33.8000110.9Y463P461-Y463 PolarHBondContact O-N 3.35Å; P461-Y463 VanDerWaalsContact O-N 3.15Å
462I29.7Very low31.2Very low155 Ų155147.3 Ų147.380%0.79578%0.778SS**  trans-69108.8169.4-52.7174.7000107.4W460 V464W460-I462 PolarHBondContact O-N 2.93Å; I462-V464 HydrophobicContact CG2-CG2 3.58Å; I462-V464 PolarHBondContact O-N 3.11Å
463Y28.8Very low31Very low182 Ų182143.5 Ų143.571%0.71478%0.778SS**  trans-91.594.8165.7-155.4-110.2000108.8P461 E465P461-Y463 PolarHBondContact O-N 3.35Å; P461-Y463 VanDerWaalsContact O-N 3.15Å; Y463-E465 HydrophobicContact CD1-CB 4.38Å; Y463-E465 HydrophobicContact CD1-CG 4.31Å; Y463-E465 HydrophobicContact CE1-CB 4.08Å; Y463-E465 HydrophobicContact CE1-CG 3.58Å; Y463-E465 WeakPolarHBondContact CE1-OE2 3.42Å; Y463-E465 PolarHBondContact OH-OE1 3.18Å
464V30.3Very low31.3Very low109 Ų109137.2 Ų137.266%0.66177%0.771SS**  trans-86.8103.9163.6-172.80000106.9I462I462-V464 HydrophobicContact CG2-CG2 3.58Å; I462-V464 PolarHBondContact O-N 3.11Å
465E27.4Very low31.5Very low147 Ų147140.1 Ų140.169%0.68778%0.78SS**  trans-100103.1154.1-102.6-180174.600107.9Y463Y463-E465 HydrophobicContact CD1-CB 4.38Å; Y463-E465 HydrophobicContact CD1-CG 4.31Å; Y463-E465 HydrophobicContact CE1-CB 4.08Å; Y463-E465 HydrophobicContact CE1-CG 3.58Å; Y463-E465 WeakPolarHBondContact CE1-OE2 3.42Å; Y463-E465 PolarHBondContact OH-OE1 3.18Å
466S31.4Very low31.6Very low109 Ų109140.4 Ų140.476%0.76278%0.781SS**  trans-58.3134.2161.3-58.30000108
467G29.9Very low31.7Very low71 Ų71138.2 Ų138.273%0.73277%0.772SS**  trans-74.1165.7-170.400000114.1
468E29.2Very low31.3Very low178 Ų178138.6 Ų138.683%0.83277%0.773SS**  trans-120.9120.3158-83.5178.213400109.8
469E32Very low31.4Very low166 Ų166138.8 Ų138.878%0.77678%0.775SS**  trans-25.9135.7152.150.4-128.177.700115.5
470N30.3Very low31.3Very low164 Ų164139.9 Ų139.988%0.87777%0.772SS**  trans-114.175.6163.7-87.8-106.5000108.7
471D32.1Very low31.7Very low147 Ų147133.6 Ų133.679%0.78676%0.762SS**PPolyproline II helixtrans-95.6131.3159.2-90.9-45.3000109.1A473D471-A473 PolarHBondContact O-N 3.21Å
472P39.9Very low31.6Very low124 Ų124135.6 Ų135.681%0.80576%0.762SS**PPolyproline II helixtrans-81.2116.8179.531.1-32.3000111.1
473A35.7Very low31.6Very low101 Ų101136.3 Ų136.384%0.83577%0.765SS**PPolyproline II helixtrans-71134.6171.300000111.8D471D471-A473 PolarHBondContact O-N 3.21Å
474G31.5Very low31.7Very low72 Ų72135 Ų13574%0.74277%0.765SS**  trans-77.6-177.7147.900000109.8
475D32.3Very low31.8Very low145 Ų145135.6 Ų135.678%0.77577%0.772SS**  cis-161.1142.33.8-179.120000106
476D29.3Very low31.9Very low142 Ų142135.4 Ų135.476%0.75978%0.775SS**  trans-177.3112.7139.5-113.8-36.7000112.8
477S31.8Very low31.8Very low87 Ų87138.2 Ų138.261%0.60878%0.781SS**  30108.9121-37.20000118.8
478D31.2Very low32Very low157 Ų157139.6 Ų139.684%0.8478%0.779SS**  -171.7178.789.3-132.8-38.3000112.7
479D30.4Very low32.1Very low154 Ų154138.9 Ų138.982%0.82478%0.782SS**  trans75.394171.8-78.6-50.9000119.7
480K33.1Very low32.2Very low175 Ų175140.4 Ų140.476%0.76178%0.78SS**  trans-114.8155.1147.3-122.7-161.8175.7165.20106.7
481P38.9Very low32.5Very low107 Ų107139 Ų13970%0.69577%0.768SS**  cis-146.914947.635.4-13.2000119.1
482Q27.8Very low32.8Very low156 Ų156138.3 Ų138.373%0.72977%0.769SS**  trans49.5109.4136.6-58.117913.900120.4
483I29.4Very low32.9Very low169 Ų169140.2 Ų140.287%0.86777%0.772SS**  trans-130.1127138.1-59.9-178.2000108.1
484Q32.2Very low33.1Very low154 Ų154145.6 Ų145.672%0.7280%0.795SS**PPolyproline II helixtrans-76147.2177.7-66.5175-21.400111.9
485P32.1Very low33.2Very low123 Ų123149.3 Ų149.380%0.79980%0.797SS**PPolyproline II helixtrans-100.2119.6143.43.916.2000109
486N28.3Very low33.3Very low142 Ų142149.5 Ų149.576%0.75980%0.799SS**PPolyproline II helixtrans-67.6138.1170.4-93.3-89.4000110.1
487L30.9Very low33.5Very low168 Ų168149.9 Ų149.988%0.8880%0.801SS**PPolyproline II helixtrans-80.5150.8164.8-77.8167.8000110.1
488S32.9Very low33.6Very low100 Ų100153.6 Ų153.670%0.69981%0.812SS**PPolyproline II helixtrans-57144.4172.5-47.90000111.9
489D32.7Very low33.7Very low164 Ų164153.4 Ų153.488%0.87781%0.81SS**  -172.2158.196.3-90.3-27.4000112.9
490R34Very low33.9Very low197 Ų197153.3 Ų153.374%0.74381%0.809SS**  trans-104143.9-177.2-110.8174.770.6141.33.3111.1
491E35.1Very low34Very low134 Ų134151.8 Ų151.863%0.62681%0.813SS**  trans67.6108.2147.6-65.1167.6131.500119.9
492T38.3Very low33.6Very low133 Ų133155.2 Ų155.282%0.81682%0.822SS**  175.6117.1108.532.40000109
493L42.3Very low34.1Very low164 Ų164155.2 Ų155.286%0.85983%0.83SS**  53.985.979.6-86165.5000114.6
494T41Very low34.5Very low214 Ų214153.9 Ų153.9100%1.31383%0.826SS**  -168.10103.134.20000110.9

Retrieved 494 of 494 residues in 174.4 ms (Link to these results)

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