A0A2K6LHD0_RHIBE Loading...

GA binding protein transcription factor subunit beta 1

AlphaFold DB , UniProt , Accession A0A2K6LHD0, Species RHIBE (Rhinopithecus bieti, Black snub-nosed monkey), Gene GABPB1, Length 319 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
1M88.3Confident94.1Very high168 Ų16858.1 Ų58.183%0.82833%0.332SS*.  0-850-60.6-163.782.100111.2A3 S4 E5M1-A3 VanDerWaalsContact C-N 3.26Å; M1-A3 PolarHBondContact O-N 3.14Å; M1-A3 VanDerWaalsContact O-N 3.14Å; M1-S4 WeakPolarHBondContact CA-OG 3.43Å; M1-S4 PolarHBondContact N-OG 3.44Å; M1-S4 PolarHBondContact O-N 3.08Å; M1-S4 PolarHBondContact O-OG 2.93Å; M1-E5 PolarHBondContact O-N 3.3Å
2A93.1Very high94.2Very high21 Ų2159 Ų5917%0.17433%0.331CS..THydrogen-bonded Turntrans-56.7-38.9-178.600000113.7G6 H7 I10 V11 L14A2-G6 PolarHBondContact O-N 3.09Å; A2-H7 PolarHBondContact O-N 3.02Å; A2-I10 HydrophobicContact CB-CB 4.27Å; A2-I10 HydrophobicContact CB-CG2 3.85Å; A2-V11 HydrophobicContact CB-CG2 3.83Å; A2-L14 HydrophobicContact CB-CD1 4.25Å
3A93.8Very high94.4Very high8 Ų860.5 Ų60.57%0.06634%0.342CS..THydrogen-bonded Turntrans-73.9-32.6176.100000114.1M1 E5 G6 V11 A31 A35 H40 V43 L47M1-A3 VanDerWaalsContact C-N 3.26Å; M1-A3 PolarHBondContact O-N 3.14Å; M1-A3 VanDerWaalsContact O-N 3.14Å; A3-E5 VanDerWaalsContact C-N 3.33Å; A3-G6 PolarHBondContact O-N 3.41Å; A3-V11 HydrophobicContact CB-CG2 4.22Å; A3-A31 HydrophobicContact CB-CB 3.94Å; A3-A35 HydrophobicContact CB-CB 4.43Å; A3-H40 PolarHBondContact O-CD2 3.36Å; A3-V43 HydrophobicContact CB-CG1 3.86Å; A3-L47 HydrophobicContact CB-CD1 4.45Å
4S93.1Very high94.5Very high24 Ų2462.4 Ų62.417%0.16835%0.35CS..THydrogen-bonded Turntrans-75.5-23.4178.954.90000112.8M1 H38 H40M1-S4 WeakPolarHBondContact CA-OG 3.43Å; M1-S4 PolarHBondContact N-OG 3.44Å; M1-S4 PolarHBondContact O-N 3.08Å; M1-S4 PolarHBondContact O-OG 2.93Å; S4-H38 PolarHBondContact O-CD2 3.19Å; S4-H40 PolarHBondContact O-CD2 2.99Å; S4-H40 PolarHBondContact O-NE2 2.81Å; S4-H40 VanDerWaalsContact O-NE2 3.09Å
5E93.2Very high94.5Very high105 Ų10559.6 Ų59.649%0.49133%0.334SS..THydrogen-bonded Turntrans-97.51.8177.6-66.4171.3-153.100112.7M1 A3 H7M1-E5 PolarHBondContact O-N 3.3Å; A3-E5 VanDerWaalsContact C-N 3.33Å; E5-H7 VanDerWaalsContact C-N 3.33Å; E5-H7 PolarHBondContact O-N 3.05Å; E5-H7 PolarHBondContact O-ND1 3.36Å; E5-H7 IonicContact OE2-CD2 3.24Å; E5-H7 IonicContact OE2-NE2 3.21Å; E5-H7 PolarHBondContact OE2-NE2 3.37Å
6G93.4Very high94.5Very high22 Ų2263.6 Ų63.623%0.22735%0.347CS..THydrogen-bonded Turntrans75.318.7176.400000114.5A2 A3 A8 H40A2-G6 PolarHBondContact O-N 3.09Å; A3-G6 PolarHBondContact O-N 3.41Å; G6-A8 VanDerWaalsContact C-N 3.29Å; G6-A8 PolarHBondContact O-N 3.06Å; G6-H40 WeakPolarHBondContact CA-CD2 3.48Å; G6-H40 PolarHBondContact N-CD2 3.01Å; G6-H40 PolarHBondContact N-NE2 3.31Å; G6-H40 VanDerWaalsContact N-NE2 3.19Å
7H96.1Very high94.6Very high83 Ų8369.2 Ų69.238%0.38437%0.37SS..  trans-79.771.1-177-66.7-12.6000112.3A2 E5 S9 I10 V11A2-H7 PolarHBondContact O-N 3.02Å; E5-H7 VanDerWaalsContact C-N 3.33Å; E5-H7 PolarHBondContact O-N 3.05Å; E5-H7 PolarHBondContact O-ND1 3.36Å; E5-H7 IonicContact OE2-CD2 3.24Å; E5-H7 IonicContact OE2-NE2 3.21Å; E5-H7 PolarHBondContact OE2-NE2 3.37Å; H7-S9 VanDerWaalsContact C-N 3.31Å; H7-S9 PolarHBondContact O-N 2.92Å; H7-I10 HydrophobicContact CB-CB 4.06Å; H7-I10 HydrophobicContact CB-CD1 3.86Å; H7-I10 HydrophobicContact CB-CG1 4.06Å; H7-I10 PolarHBondContact O-N 3.28Å; H7-V11 WeakPolarHBondContact O-CG2 3.48Å; H7-V11 PolarHBondContact O-N 3.05Å
8A95.4Very high94.4Very high20 Ų2069.1 Ų69.117%0.16539%0.388CS..Hα-helixtrans-51.7-44.1-176.200000113.6G6 I10 V11 E12 E42 V43 L46G6-A8 VanDerWaalsContact C-N 3.29Å; G6-A8 PolarHBondContact O-N 3.06Å; A8-I10 VanDerWaalsContact C-N 3.32Å; A8-I10 PolarHBondContact O-N 3.15Å; A8-V11 PolarHBondContact O-N 3.48Å; A8-E12 WeakPolarHBondContact O-CB 3.36Å; A8-E12 PolarHBondContact O-N 3.26Å; A8-E42 HydrophobicContact CB-CB 4.37Å; A8-V43 HydrophobicContact CB-CG2 4.06Å; A8-L46 WeakPolarHBondContact O-CD2 3.42Å
9S96.3Very high94.5Very high95 Ų9567.9 Ų67.966%0.66439%0.388SS*.Hα-helixtrans-61-38.5178-51.10000113H7 V13H7-S9 VanDerWaalsContact C-N 3.31Å; H7-S9 PolarHBondContact O-N 2.92Å; S9-V13 WeakPolarHBondContact O-CG2 3.39Å; S9-V13 PolarHBondContact O-N 2.93Å
10I95.9Very high94.5Very high85 Ų8570.2 Ų70.244%0.43640%0.399SS..Hα-helixtrans-72-45.1178.8-59.8-179.8000109.4A2 H7 A8 E12 V13 L14A2-I10 HydrophobicContact CB-CB 4.27Å; A2-I10 HydrophobicContact CB-CG2 3.85Å; H7-I10 HydrophobicContact CB-CB 4.06Å; H7-I10 HydrophobicContact CB-CD1 3.86Å; H7-I10 HydrophobicContact CB-CG1 4.06Å; H7-I10 PolarHBondContact O-N 3.28Å; A8-I10 VanDerWaalsContact C-N 3.32Å; A8-I10 PolarHBondContact O-N 3.15Å; I10-E12 VanDerWaalsContact C-N 3.28Å; I10-E12 PolarHBondContact O-N 2.99Å; I10-V13 PolarHBondContact O-N 3.43Å; I10-L14 HydrophobicContact CG2-CD1 3.92Å; I10-L14 HydrophobicContact CG2-CG 4.32Å; I10-L14 VanDerWaalsContact O-CG 3.27Å; I10-L14 WeakPolarHBondContact O-CG 3.49Å; I10-L14 PolarHBondContact O-N 2.88Å
11V95.9Very high94.5Very high8 Ų867.7 Ų67.75%0.04839%0.385CS..Hα-helixtrans-56.8-44.3176.1176.10000110.5A2 A3 H7 A8 V13 L14 L15 V43 L46 L47A2-V11 HydrophobicContact CB-CG2 3.83Å; A3-V11 HydrophobicContact CB-CG2 4.22Å; H7-V11 WeakPolarHBondContact O-CG2 3.48Å; H7-V11 PolarHBondContact O-N 3.05Å; A8-V11 PolarHBondContact O-N 3.48Å; V11-V13 PolarHBondContact O-N 3.49Å; V11-L14 PolarHBondContact O-N 2.96Å; V11-L15 HydrophobicContact CG1-CD1 3.71Å; V11-L15 HydrophobicContact CG1-CG 4.32Å; V11-L15 VanDerWaalsContact O-CG 3.29Å; V11-L15 WeakPolarHBondContact O-CG 3.47Å; V11-L15 PolarHBondContact O-N 3.36Å; V11-V43 HydrophobicContact CG1-CG1 4.39Å; V11-V43 HydrophobicContact CG2-CG1 4.16Å; V11-L46 HydrophobicContact CB-CD2 4.04Å; V11-L46 HydrophobicContact CG1-CD2 3.82Å; V11-L47 HydrophobicContact CG1-CD2 4.04Å; V11-L47 HydrophobicContact CG1-CG 4.41Å
12E95.7Very high94.8Very high69 Ų6962.1 Ų62.132%0.32236%0.359SS..Hα-helixtrans-62.1-45.1178.8-167.5-174.2-173.300112.3A8 I10 L14 L15 K16 L46 Y50A8-E12 WeakPolarHBondContact O-CB 3.36Å; A8-E12 PolarHBondContact O-N 3.26Å; I10-E12 VanDerWaalsContact C-N 3.28Å; I10-E12 PolarHBondContact O-N 2.99Å; E12-L14 VanDerWaalsContact C-N 3.33Å; E12-L14 PolarHBondContact O-N 3.31Å; E12-L15 PolarHBondContact O-N 2.88Å; E12-K16 HydrophobicContact CG-CD 4.3Å; E12-K16 WeakPolarHBondContact O-CB 3.5Å; E12-K16 WeakPolarHBondContact O-CG 3.5Å; E12-K16 PolarHBondContact O-N 3.39Å; E12-K16 WeakPolarHBondContact OE1-CE 3.4Å; E12-K16 IonicContact OE1-NZ 2.79Å; E12-K16 PolarHBondContact OE1-NZ 3.08Å; E12-K16 IonicContact OE2-NZ 3.18Å; E12-L46 HydrophobicContact CB-CD1 4.41Å; E12-L46 HydrophobicContact CB-CD2 3.81Å; E12-L46 HydrophobicContact CG-CD1 4.22Å; E12-Y50 HydrophobicContact CG-CE2 4.49Å
13V97.1Very high94.8Very high79 Ų7963.6 Ų63.648%0.47937%0.37SS..Hα-helixtrans-62.9-42.1177.8171.80000111S9 I10 V11 K16 H17S9-V13 WeakPolarHBondContact O-CG2 3.39Å; S9-V13 PolarHBondContact O-N 2.93Å; I10-V13 PolarHBondContact O-N 3.43Å; V11-V13 PolarHBondContact O-N 3.49Å; V13-K16 PolarHBondContact O-N 3.47Å; V13-H17 PolarHBondContact O-N 3.46Å; V13-H17 VanDerWaalsContact O-N 3.17Å; V13-H17 PolarHBondContact O-ND1 3.45Å
14L95.2Very high94.9Very high86 Ų8668.9 Ų68.945%0.4539%0.392SS..Hα-helixtrans-62.9-46.9178.6-70.2171.6000111.5A2 I10 V11 E12 K16 H17 G18 A19A2-L14 HydrophobicContact CB-CD1 4.25Å; I10-L14 HydrophobicContact CG2-CD1 3.92Å; I10-L14 HydrophobicContact CG2-CG 4.32Å; I10-L14 VanDerWaalsContact O-CG 3.27Å; I10-L14 WeakPolarHBondContact O-CG 3.49Å; I10-L14 PolarHBondContact O-N 2.88Å; V11-L14 PolarHBondContact O-N 2.96Å; E12-L14 VanDerWaalsContact C-N 3.33Å; E12-L14 PolarHBondContact O-N 3.31Å; L14-K16 PolarHBondContact O-N 2.96Å; L14-H17 PolarHBondContact O-N 3.49Å; L14-H17 VanDerWaalsContact O-N 3.14Å; L14-G18 PolarHBondContact O-N 2.92Å; L14-A19 HydrophobicContact CB-CB 4.04Å; L14-A19 WeakPolarHBondContact O-CB 3.11Å; L14-A19 PolarHBondContact O-N 3.23Å
15L95Very high94.9Very high21 Ų2170.5 Ų70.511%0.1140%0.399CS..Hα-helixtrans-63.5-40.4178.4-67.8167.8000111.7V11 E12 H17 G18 V21 L46 L47 Y50V11-L15 HydrophobicContact CG1-CD1 3.71Å; V11-L15 HydrophobicContact CG1-CG 4.32Å; V11-L15 VanDerWaalsContact O-CG 3.29Å; V11-L15 WeakPolarHBondContact O-CG 3.47Å; V11-L15 PolarHBondContact O-N 3.36Å; E12-L15 PolarHBondContact O-N 2.88Å; L15-H17 PolarHBondContact O-N 2.76Å; L15-G18 PolarHBondContact O-N 3.44Å; L15-G18 VanDerWaalsContact O-N 3.08Å; L15-V21 HydrophobicContact CD2-CB 3.82Å; L15-V21 HydrophobicContact CD2-CG2 3.91Å; L15-L46 HydrophobicContact CD1-CG 4.42Å; L15-L47 HydrophobicContact CD1-CD2 4.1Å; L15-Y50 HydrophobicContact CB-CD1 3.85Å; L15-Y50 HydrophobicContact CB-CD2 4.25Å; L15-Y50 HydrophobicContact CB-CE1 4.02Å; L15-Y50 HydrophobicContact CB-CE2 4.41Å; L15-Y50 HydrophobicContact CB-CG 3.98Å; L15-Y50 HydrophobicContact CD1-CD1 4.5Å; L15-Y50 HydrophobicContact CD1-CD2 3.6Å; L15-Y50 HydrophobicContact CD1-CE2 4.2Å; L15-Y50 HydrophobicContact CD1-CG 3.78Å; L15-Y50 HydrophobicContact CG-CG 4.35Å
16K95.1Very high94.8Very high124 Ų12474.2 Ų74.254%0.53942%0.418SS..Hα-helixtrans-61.7-28.6174.5-76.6176.4-177.8165.50113.6E12 V13 L14 G18 Y50E12-K16 HydrophobicContact CG-CD 4.3Å; E12-K16 WeakPolarHBondContact O-CB 3.5Å; E12-K16 WeakPolarHBondContact O-CG 3.5Å; E12-K16 PolarHBondContact O-N 3.39Å; E12-K16 WeakPolarHBondContact OE1-CE 3.4Å; E12-K16 IonicContact OE1-NZ 2.79Å; E12-K16 PolarHBondContact OE1-NZ 3.08Å; E12-K16 IonicContact OE2-NZ 3.18Å; V13-K16 PolarHBondContact O-N 3.47Å; L14-K16 PolarHBondContact O-N 2.96Å; K16-G18 VanDerWaalsContact C-N 3.3Å; K16-Y50 WeakPolarHBondContact CE-OH 3.19Å; K16-Y50 WeakPolarHBondContact CG-OH 3.37Å
17H95.6Very high94.7Very high158 Ų15875.9 Ų75.973%0.73142%0.422SS*.THydrogen-bonded Turntrans-90.811.8177.6-72.482.1000113.3V13 L14 L15V13-H17 PolarHBondContact O-N 3.46Å; V13-H17 VanDerWaalsContact O-N 3.17Å; V13-H17 PolarHBondContact O-ND1 3.45Å; L14-H17 PolarHBondContact O-N 3.49Å; L14-H17 VanDerWaalsContact O-N 3.14Å; L15-H17 PolarHBondContact O-N 2.76Å
18G91.6Very high94.6Very high68 Ų6878 Ų7870%0.70143%0.43SS*.THydrogen-bonded Turntrans83.724.8174.600000114.3L14 L15 K16 D20L14-G18 PolarHBondContact O-N 2.92Å; L15-G18 PolarHBondContact O-N 3.44Å; L15-G18 VanDerWaalsContact O-N 3.08Å; K16-G18 VanDerWaalsContact C-N 3.3Å; G18-D20 PolarHBondContact O-N 2.85Å
19A94.9Very high94.5Very high47 Ų4777.4 Ų77.439%0.38842%0.424SS..  trans-59.6136.2165.900000110.2L14 V21L14-A19 HydrophobicContact CB-CB 4.04Å; L14-A19 WeakPolarHBondContact O-CB 3.11Å; L14-A19 PolarHBondContact O-N 3.23Å; A19-V21 PolarHBondContact O-N 3.34Å
20D94.7Very high94.5Very high113 Ų11372.9 Ų72.960%0.60439%0.392SS*.  trans-69.1112.9175.5178.78.8000110.1G18 N22 A23G18-D20 PolarHBondContact O-N 2.85Å; D20-N22 PolarHBondContact O-N 3.34Å; D20-N22 PolarHBondContact OD1-N 2.91Å; D20-A23 HydrophobicContact CB-CB 4.18Å; D20-A23 WeakPolarHBondContact O-CB 3.42Å; D20-A23 PolarHBondContact O-N 3.01Å
21V94.8Very high94.5Very high17 Ų1770.3 Ų70.310%0.10338%0.383CS..THydrogen-bonded Turntrans-65.6-26.8-179.569.70000112.4L15 A19 L47 A52L15-V21 HydrophobicContact CD2-CB 3.82Å; L15-V21 HydrophobicContact CD2-CG2 3.91Å; A19-V21 PolarHBondContact O-N 3.34Å; V21-L47 HydrophobicContact CG2-CD2 3.86Å; V21-A52 HydrophobicContact CG2-CB 3.72Å
22N94.2Very high94.6Very high52 Ų5270 Ų7028%0.27838%0.381SS..THydrogen-bonded Turntrans-102.412-176.5-66.4-43.6000112.8D20 K24 D53D20-N22 PolarHBondContact O-N 3.34Å; D20-N22 PolarHBondContact OD1-N 2.91Å; N22-K24 PolarHBondContact O-N 3.27Å; N22-D53 PolarHBondContact OD1-N 3.27Å
23A94.5Very high94.6Very high51 Ų5166.7 Ų66.742%0.42137%0.366SS..  trans-55.6133.8175.400000110.7D20 T30D20-A23 HydrophobicContact CB-CB 4.18Å; D20-A23 WeakPolarHBondContact O-CB 3.42Å; D20-A23 PolarHBondContact O-N 3.01Å; A23-T30 WeakPolarHBondContact O-CA 3.49Å
24K94.4Very high94.5Very high119 Ų11966 Ų6652%0.51736%0.355SS..  trans-108.2139.2-178.1-67.9-175.8-176.8-175.20110.9N22 K28 M29 T30N22-K24 PolarHBondContact O-N 3.27Å; K24-K28 HydrophobicContact CD-CB 4.46Å; K24-M29 WeakPolarHBondContact CA-O 3.36Å; K24-T30 HydrophobicContact CG-CG2 3.96Å
25D93.1Very high94.6Very high58 Ų5861.9 Ų61.931%0.3133%0.333SS..  trans-86.4-168.9172.571.17.8000112.9L27 K28 M29 W34D25-L27 PolarHBondContact O-N 3.44Å; D25-L27 VanDerWaalsContact OD1-C 3.26Å; D25-L27 VanDerWaalsContact OD1-CA 3.26Å; D25-L27 WeakPolarHBondContact OD1-CA 3.4Å; D25-L27 WeakPolarHBondContact OD1-CB 3.49Å; D25-L27 PolarHBondContact OD1-N 2.89Å; D25-K28 PolarHBondContact O-N 3.17Å; D25-K28 PolarHBondContact OD1-N 2.67Å; D25-K28 VanDerWaalsContact OD1-N 3.07Å; D25-M29 PolarHBondContact N-O 2.88Å; D25-M29 PolarHBondContact OD1-N 3.28Å; D25-W34 VanDerWaalsContact OD2-CE2 3.27Å; D25-W34 VanDerWaalsContact OD2-CZ2 3.23Å; D25-W34 WeakPolarHBondContact OD2-CZ2 3.42Å; D25-W34 PolarHBondContact OD2-NE1 3.46Å
26M92.4Very high94.6Very high184 Ų18460.9 Ų60.991%0.90633%0.328SS*.THydrogen-bonded Turntrans-65.5-19.7178.1-63.4-176.268.100113.9K28M26-K28 VanDerWaalsContact C-N 3.32Å
27L90.9Very high94.6Very high57 Ų5758.6 Ų58.630%0.29832%0.319SS..THydrogen-bonded Turntrans-9511.3174.3-60.7-179.8000112D25 M29 W34 K59 F60D25-L27 PolarHBondContact O-N 3.44Å; D25-L27 VanDerWaalsContact OD1-C 3.26Å; D25-L27 VanDerWaalsContact OD1-CA 3.26Å; D25-L27 WeakPolarHBondContact OD1-CA 3.4Å; D25-L27 WeakPolarHBondContact OD1-CB 3.49Å; D25-L27 PolarHBondContact OD1-N 2.89Å; L27-M29 HydrophobicContact CB-CG 3.86Å; L27-M29 PolarHBondContact O-N 2.85Å; L27-M29 VanDerWaalsContact O-N 3.12Å; L27-W34 HydrophobicContact CD1-CH2 4.33Å; L27-W34 HydrophobicContact CD1-CZ2 4.31Å; L27-K59 HydrophobicContact CD2-CD 4.19Å; L27-K59 WeakPolarHBondContact O-CB 3.4Å; L27-K59 PolarHBondContact O-N 3.49Å; L27-F60 HydrophobicContact CD2-CZ 4.46Å
28K93.1Very high94.5Very high126 Ų12655.2 Ų55.255%0.54830%0.304SS..SBendtrans55.720.1-172.8-58.1-174.7174.5-176.60113.1K24 D25 M26 K59K24-K28 HydrophobicContact CD-CB 4.46Å; D25-K28 PolarHBondContact O-N 3.17Å; D25-K28 PolarHBondContact OD1-N 2.67Å; D25-K28 VanDerWaalsContact OD1-N 3.07Å; M26-K28 VanDerWaalsContact C-N 3.32Å; K28-K59 HydrophobicContact CB-CB 4.39Å; K28-K59 HydrophobicContact CG-CB 4.5Å
29M94.8Very high94.6Very high8 Ų855.3 Ų55.34%0.03929%0.288CS..  trans-86.6140.1178.7-61.6-144.9-46.400110K24 D25 L27 H33 W34 E37K24-M29 WeakPolarHBondContact CA-O 3.36Å; D25-M29 PolarHBondContact N-O 2.88Å; D25-M29 PolarHBondContact OD1-N 3.28Å; L27-M29 HydrophobicContact CB-CG 3.86Å; L27-M29 PolarHBondContact O-N 2.85Å; L27-M29 VanDerWaalsContact O-N 3.12Å; M29-H33 HydrophobicContact CB-CB 3.95Å; M29-H33 HydrophobicContact CG-CB 4.35Å; M29-H33 HydrophobicContact SD-CB 4.06Å; M29-W34 HydrophobicContact CE-CD2 3.31Å; M29-W34 HydrophobicContact CE-CE3 3.5Å; M29-W34 HydrophobicContact CE-CG 4.02Å; M29-W34 HydrophobicContact CE-CH2 3.39Å; M29-W34 HydrophobicContact CE-CZ2 3.21Å; M29-W34 HydrophobicContact CE-CZ3 3.52Å; M29-E37 WeakPolarHBondContact CE-OE2 3.37Å
30T95.6Very high94.7Very high1 Ų155.6 Ų55.61%0.00628%0.281CS..  trans-92.4169.5173.964.40000110.3A23 K24 L32 H33 W34 T56A23-T30 WeakPolarHBondContact O-CA 3.49Å; K24-T30 HydrophobicContact CG-CG2 3.96Å; T30-L32 PolarHBondContact O-N 3.48Å; T30-L32 VanDerWaalsContact O-N 3.14Å; T30-L32 PolarHBondContact OG1-N 3.09Å; T30-H33 PolarHBondContact N-ND1 3.49Å; T30-H33 WeakPolarHBondContact O-CB 3.46Å; T30-H33 PolarHBondContact O-N 3.02Å; T30-H33 VanDerWaalsContact O-N 3.09Å; T30-H33 PolarHBondContact OG1-ND1 3.34Å; T30-W34 PolarHBondContact O-N 3.34Å; T30-T56 HydrophobicContact CG2-CG2 4.27Å
31A96.1Very high94.7Very high30 Ų3053.8 Ų53.825%0.24827%0.269CS..Hα-helixtrans-54.2-31.8172.200000112.6A3 A35 L47A3-A31 HydrophobicContact CB-CB 3.94Å; A31-A35 WeakPolarHBondContact O-CB 3.31Å; A31-A35 PolarHBondContact O-N 2.84Å; A31-L47 HydrophobicContact CB-CD1 3.88Å; A31-L47 HydrophobicContact CB-CD2 3.89Å
32L96.8Very high94.8Very high1 Ų160.1 Ų60.11%0.00530%0.298CS..Hα-helixtrans-67.4-39.7178.3-172.568.2000112.4T30 T36 V44 L47 I48 A52 V54 A64 L80T30-L32 PolarHBondContact O-N 3.48Å; T30-L32 VanDerWaalsContact O-N 3.14Å; T30-L32 PolarHBondContact OG1-N 3.09Å; L32-T36 WeakPolarHBondContact O-CB 3.41Å; L32-T36 PolarHBondContact O-N 2.96Å; L32-T36 PolarHBondContact O-OG1 3.39Å; L32-V44 HydrophobicContact CD1-CB 4.4Å; L32-V44 HydrophobicContact CD1-CG1 3.92Å; L32-V44 HydrophobicContact CD1-CG2 4.42Å; L32-L47 HydrophobicContact CB-CD1 4.39Å; L32-L47 HydrophobicContact CD1-CB 4.13Å; L32-L47 HydrophobicContact CD1-CD1 4.4Å; L32-I48 HydrophobicContact CD1-CD1 4.49Å; L32-I48 HydrophobicContact CD1-CG1 4.07Å; L32-A52 HydrophobicContact CB-CB 4.42Å; L32-A52 HydrophobicContact CD2-CB 4.24Å; L32-V54 HydrophobicContact CD2-CB 4.37Å; L32-V54 HydrophobicContact CD2-CG1 3.82Å; L32-A64 HydrophobicContact CD2-CB 3.83Å; L32-A64 HydrophobicContact CG-CB 3.81Å; L32-L80 HydrophobicContact CD1-CD2 4.24Å; L32-L80 HydrophobicContact CD2-CD2 4.16Å; L32-L80 HydrophobicContact CG-CD2 4.38Å
33H96.5Very high94.9Very high0 Ų057.7 Ų57.70%029%0.285CS..Hα-helixtrans-61.5-51.5175.8-6983.8000110.5M29 T30 A35 T36 E37 T56 S58 K62 I67M29-H33 HydrophobicContact CB-CB 3.95Å; M29-H33 HydrophobicContact CG-CB 4.35Å; M29-H33 HydrophobicContact SD-CB 4.06Å; T30-H33 PolarHBondContact N-ND1 3.49Å; T30-H33 WeakPolarHBondContact O-CB 3.46Å; T30-H33 PolarHBondContact O-N 3.02Å; T30-H33 VanDerWaalsContact O-N 3.09Å; T30-H33 PolarHBondContact OG1-ND1 3.34Å; H33-A35 PolarHBondContact O-N 2.96Å; H33-T36 PolarHBondContact O-N 3.32Å; H33-T36 VanDerWaalsContact O-N 3.13Å; H33-E37 WeakPolarHBondContact O-CB 3.36Å; H33-E37 PolarHBondContact O-N 2.83Å; H33-T56 PolarHBondContact CE1-O 3.2Å; H33-T56 VanDerWaalsContact CE1-O 3.26Å; H33-T56 PolarHBondContact CE1-OG1 3.49Å; H33-T56 PolarHBondContact NE2-O 3.38Å; H33-S58 PolarHBondContact NE2-N 3.44Å; H33-K62 PolarHBondContact NE2-O 3.36Å; H33-I67 HydrophobicContact CB-CD1 3.98Å
34W96Very high95Very high65 Ų6555.2 Ų55.225%0.24627%0.265CS..Hα-helixtrans-62-40.7179.8-74.2113.9000113.4D25 L27 M29 T30 T36 E37 H38D25-W34 VanDerWaalsContact OD2-CE2 3.27Å; D25-W34 VanDerWaalsContact OD2-CZ2 3.23Å; D25-W34 WeakPolarHBondContact OD2-CZ2 3.42Å; D25-W34 PolarHBondContact OD2-NE1 3.46Å; L27-W34 HydrophobicContact CD1-CH2 4.33Å; L27-W34 HydrophobicContact CD1-CZ2 4.31Å; M29-W34 HydrophobicContact CE-CD2 3.31Å; M29-W34 HydrophobicContact CE-CE3 3.5Å; M29-W34 HydrophobicContact CE-CG 4.02Å; M29-W34 HydrophobicContact CE-CH2 3.39Å; M29-W34 HydrophobicContact CE-CZ2 3.21Å; M29-W34 HydrophobicContact CE-CZ3 3.52Å; T30-W34 PolarHBondContact O-N 3.34Å; W34-T36 VanDerWaalsContact C-N 3.28Å; W34-T36 PolarHBondContact O-N 2.92Å; W34-E37 VanDerWaalsContact CE3-OE2 3.22Å; W34-E37 VanDerWaalsContact CZ3-OE2 3.27Å; W34-E37 WeakPolarHBondContact CZ3-OE2 3.23Å; W34-H38 AromaticContact CE3-NE2 3.99Å; W34-H38 PolarHBondContact O-CD2 3Å; W34-H38 VanDerWaalsContact O-CD2 3.28Å; W34-H38 PolarHBondContact O-N 2.98Å
35A96.4Very high95Very high0 Ų054 Ų540%026%0.261CS..Hα-helixtrans-65.1-35.5176.200000111.7A3 A31 H33 N39 H40 V43 V44 L47A3-A35 HydrophobicContact CB-CB 4.43Å; A31-A35 WeakPolarHBondContact O-CB 3.31Å; A31-A35 PolarHBondContact O-N 2.84Å; H33-A35 PolarHBondContact O-N 2.96Å; A35-N39 PolarHBondContact O-N 3.45Å; A35-H40 PolarHBondContact O-N 2.7Å; A35-V43 HydrophobicContact CB-CB 4.05Å; A35-V43 HydrophobicContact CB-CG1 3.65Å; A35-V44 HydrophobicContact CB-CG2 3.7Å; A35-L47 HydrophobicContact CB-CD1 4.06Å
36T96.2Very high95.2Very high0 Ų052.4 Ų52.40%025%0.252CS..Hα-helixtrans-73.8-42178.5-51.80000111.7L32 H33 W34 H38 N39 A64 I67 N71 L76 L80L32-T36 WeakPolarHBondContact O-CB 3.41Å; L32-T36 PolarHBondContact O-N 2.96Å; L32-T36 PolarHBondContact O-OG1 3.39Å; H33-T36 PolarHBondContact O-N 3.32Å; H33-T36 VanDerWaalsContact O-N 3.13Å; W34-T36 VanDerWaalsContact C-N 3.28Å; W34-T36 PolarHBondContact O-N 2.92Å; T36-H38 VanDerWaalsContact C-N 3.25Å; T36-H38 PolarHBondContact O-N 2.9Å; T36-N39 PolarHBondContact O-N 3.3Å; T36-N39 PolarHBondContact O-OD1 3.44Å; T36-A64 WeakPolarHBondContact CG2-O 3.21Å; T36-I67 HydrophobicContact CG2-CB 4.32Å; T36-I67 HydrophobicContact CG2-CG2 4.15Å; T36-N71 PolarHBondContact O-ND2 3.18Å; T36-L76 HydrophobicContact CG2-CD1 4.31Å; T36-L80 HydrophobicContact CG2-CD1 3.75Å
37E94.9Very high95.3Very high76 Ų7643.8 Ų43.836%0.35521%0.21SC..Hα-helixtrans-58.9-35.7178.4-175.6175.3-173.100112.7M29 H33 W34 I67 N71M29-E37 WeakPolarHBondContact CE-OE2 3.37Å; H33-E37 WeakPolarHBondContact O-CB 3.36Å; H33-E37 PolarHBondContact O-N 2.83Å; W34-E37 VanDerWaalsContact CE3-OE2 3.22Å; W34-E37 VanDerWaalsContact CZ3-OE2 3.27Å; W34-E37 WeakPolarHBondContact CZ3-OE2 3.23Å; E37-I67 HydrophobicContact CB-CG2 3.99Å; E37-N71 WeakPolarHBondContact CA-ND2 3.38Å; E37-N71 PolarHBondContact O-ND2 3.03Å
38H93.4Very high95.5Very high87 Ų8742.7 Ų42.740%0.40320%0.204SC..THydrogen-bonded Turntrans-97.812.3177.8-62.6-58.2000114S4 W34 T36 H40S4-H38 PolarHBondContact O-CD2 3.19Å; W34-H38 AromaticContact CE3-NE2 3.99Å; W34-H38 PolarHBondContact O-CD2 3Å; W34-H38 VanDerWaalsContact O-CD2 3.28Å; W34-H38 PolarHBondContact O-N 2.98Å; T36-H38 VanDerWaalsContact C-N 3.25Å; T36-H38 PolarHBondContact O-N 2.9Å; H38-H40 VanDerWaalsContact C-N 3.3Å; H38-H40 WeakPolarHBondContact CB-NE2 3.45Å; H38-H40 PolarHBondContact O-N 3.4Å
39N93.4Very high95.6Very high69 Ų6944.9 Ų44.937%0.36921%0.213SC..THydrogen-bonded Turntrans56.935.8177.5-66.418.1000114.8A35 T36 Q41 N71 N73 L76A35-N39 PolarHBondContact O-N 3.45Å; T36-N39 PolarHBondContact O-N 3.3Å; T36-N39 PolarHBondContact O-OD1 3.44Å; N39-Q41 PolarHBondContact O-N 2.87Å; N39-Q41 VanDerWaalsContact O-N 3.15Å; N39-N71 PolarHBondContact OD1-ND2 3.04Å; N39-N73 PolarHBondContact ND2-ND2 3.02Å; N39-L76 HydrophobicContact CB-CD1 4.23Å
40H96.3Very high95.5Very high53 Ų5348.3 Ų48.325%0.24523%0.226CC..  trans-87.676.5178.6-64.4-43.4000111.8A3 S4 G6 A35 H38 E42 V43 V44A3-H40 PolarHBondContact O-CD2 3.36Å; S4-H40 PolarHBondContact O-CD2 2.99Å; S4-H40 PolarHBondContact O-NE2 2.81Å; S4-H40 VanDerWaalsContact O-NE2 3.09Å; G6-H40 WeakPolarHBondContact CA-CD2 3.48Å; G6-H40 PolarHBondContact N-CD2 3.01Å; G6-H40 PolarHBondContact N-NE2 3.31Å; G6-H40 VanDerWaalsContact N-NE2 3.19Å; A35-H40 PolarHBondContact O-N 2.7Å; H38-H40 VanDerWaalsContact C-N 3.3Å; H38-H40 WeakPolarHBondContact CB-NE2 3.45Å; H38-H40 PolarHBondContact O-N 3.4Å; H40-E42 PolarHBondContact O-N 3.37Å; H40-V43 HydrophobicContact CB-CB 4.06Å; H40-V43 HydrophobicContact CB-CG2 4.1Å; H40-V43 WeakPolarHBondContact O-CB 3.34Å; H40-V43 PolarHBondContact O-N 3.44Å; H40-V44 WeakPolarHBondContact O-CG2 3.32Å; H40-V44 PolarHBondContact O-N 3.37Å
41Q95.4Very high95.3Very high76 Ų7650.4 Ų50.436%0.35525%0.248SC..Hα-helixtrans-52.8-48-176.6-174.4-178.6-21.700114N39 V43 V44 E45 L76 I79N39-Q41 PolarHBondContact O-N 2.87Å; N39-Q41 VanDerWaalsContact O-N 3.15Å; Q41-V43 PolarHBondContact O-N 2.89Å; Q41-V44 WeakPolarHBondContact O-CB 3.37Å; Q41-V44 PolarHBondContact O-N 3.42Å; Q41-E45 HydrophobicContact CG-CG 4.49Å; Q41-E45 PolarHBondContact NE2-OE1 2.88Å; Q41-E45 PolarHBondContact O-N 3.01Å; Q41-L76 HydrophobicContact CB-CD2 4.25Å; Q41-L76 HydrophobicContact CG-CD2 4.33Å; Q41-I79 HydrophobicContact CG-CD1 3.59Å
42E96Very high95.3Very high149 Ų14949 Ų4970%0.69624%0.237SC*.Hα-helixtrans-57.5-38179.4-66.5-177.2-17700112.2A8 H40 L46A8-E42 HydrophobicContact CB-CB 4.37Å; H40-E42 PolarHBondContact O-N 3.37Å; E42-L46 VanDerWaalsContact O-CB 3.28Å; E42-L46 WeakPolarHBondContact O-CB 3.4Å; E42-L46 PolarHBondContact O-N 2.9Å; E42-L46 VanDerWaalsContact O-N 3.11Å
43V96.8Very high95.1Very high1 Ų151.8 Ų51.81%0.00625%0.251CS..Hα-helixtrans-72.6-39.6178178.30000110.8A3 A8 V11 A35 H40 Q41 L46 L47A3-V43 HydrophobicContact CB-CG1 3.86Å; A8-V43 HydrophobicContact CB-CG2 4.06Å; V11-V43 HydrophobicContact CG1-CG1 4.39Å; V11-V43 HydrophobicContact CG2-CG1 4.16Å; A35-V43 HydrophobicContact CB-CB 4.05Å; A35-V43 HydrophobicContact CB-CG1 3.65Å; H40-V43 HydrophobicContact CB-CB 4.06Å; H40-V43 HydrophobicContact CB-CG2 4.1Å; H40-V43 WeakPolarHBondContact O-CB 3.34Å; H40-V43 PolarHBondContact O-N 3.44Å; Q41-V43 PolarHBondContact O-N 2.89Å; V43-L46 WeakPolarHBondContact O-CB 3.49Å; V43-L46 PolarHBondContact O-N 3.21Å; V43-L47 HydrophobicContact CG1-CD1 3.77Å; V43-L47 HydrophobicContact CG1-CG 4.21Å; V43-L47 WeakPolarHBondContact O-CB 3.42Å; V43-L47 WeakPolarHBondContact O-CG 3.47Å; V43-L47 PolarHBondContact O-N 2.88Å
44V96.4Very high95Very high0 Ų051.8 Ų51.80%025%0.252CS..Hα-helixtrans-60.5-50.7176.81690000110.8L32 A35 H40 Q41 L46 L47 I48 L76 I79 L80L32-V44 HydrophobicContact CD1-CB 4.4Å; L32-V44 HydrophobicContact CD1-CG1 3.92Å; L32-V44 HydrophobicContact CD1-CG2 4.42Å; A35-V44 HydrophobicContact CB-CG2 3.7Å; H40-V44 WeakPolarHBondContact O-CG2 3.32Å; H40-V44 PolarHBondContact O-N 3.37Å; Q41-V44 WeakPolarHBondContact O-CB 3.37Å; Q41-V44 PolarHBondContact O-N 3.42Å; V44-L46 VanDerWaalsContact C-N 3.29Å; V44-L46 PolarHBondContact O-N 2.56Å; V44-L47 PolarHBondContact O-N 3.2Å; V44-I48 HydrophobicContact CG1-CD1 3.67Å; V44-I48 WeakPolarHBondContact O-CD1 3.5Å; V44-I48 VanDerWaalsContact O-CG1 3.28Å; V44-I48 WeakPolarHBondContact O-CG1 3.34Å; V44-I48 PolarHBondContact O-N 3.43Å; V44-L76 HydrophobicContact CB-CD2 3.82Å; V44-L76 HydrophobicContact CG1-CD2 3.82Å; V44-L76 HydrophobicContact CG2-CD2 3.75Å; V44-I79 HydrophobicContact CG1-CG2 4.26Å; V44-L80 HydrophobicContact CG1-CD2 4.13Å; V44-L80 HydrophobicContact CG1-CG 4.36Å
45E95.5Very high94.8Very high93 Ų9352.1 Ų52.144%0.43526%0.256SS..Hα-helixtrans-59.2-42.2177.1-70.4178.2-163.200111.7Q41 I48 K49 I79Q41-E45 HydrophobicContact CG-CG 4.49Å; Q41-E45 PolarHBondContact NE2-OE1 2.88Å; Q41-E45 PolarHBondContact O-N 3.01Å; E45-I48 PolarHBondContact O-N 3.08Å; E45-K49 WeakPolarHBondContact O-CB 3.33Å; E45-K49 PolarHBondContact O-N 3.42Å; E45-I79 HydrophobicContact CG-CD1 4.16Å; E45-I79 HydrophobicContact CG-CG2 4.23Å
46L96.2Very high94.6Very high25 Ų2552.6 Ų52.613%0.13126%0.258CS..Hα-helixtrans-61.2-50176.7-171.670.1000111.2A8 V11 E12 L15 E42 V43 V44 I48 K49 Y50A8-L46 WeakPolarHBondContact O-CD2 3.42Å; V11-L46 HydrophobicContact CB-CD2 4.04Å; V11-L46 HydrophobicContact CG1-CD2 3.82Å; E12-L46 HydrophobicContact CB-CD1 4.41Å; E12-L46 HydrophobicContact CB-CD2 3.81Å; E12-L46 HydrophobicContact CG-CD1 4.22Å; L15-L46 HydrophobicContact CD1-CG 4.42Å; E42-L46 VanDerWaalsContact O-CB 3.28Å; E42-L46 WeakPolarHBondContact O-CB 3.4Å; E42-L46 PolarHBondContact O-N 2.9Å; E42-L46 VanDerWaalsContact O-N 3.11Å; V43-L46 WeakPolarHBondContact O-CB 3.49Å; V43-L46 PolarHBondContact O-N 3.21Å; V44-L46 VanDerWaalsContact C-N 3.29Å; V44-L46 PolarHBondContact O-N 2.56Å; L46-I48 PolarHBondContact O-N 2.79Å; L46-K49 WeakPolarHBondContact O-CB 3.46Å; L46-K49 PolarHBondContact O-N 3.24Å; L46-Y50 HydrophobicContact CD1-CD2 4.09Å; L46-Y50 HydrophobicContact CD1-CE2 3.65Å; L46-Y50 HydrophobicContact CG-CD2 4.19Å; L46-Y50 HydrophobicContact CG-CE2 4.15Å; L46-Y50 VanDerWaalsContact O-CD2 3.28Å; L46-Y50 WeakPolarHBondContact O-CD2 3.35Å; L46-Y50 PolarHBondContact O-N 3.14Å; L46-Y50 VanDerWaalsContact O-N 3.11Å
47L95.6Very high94.4Very high3 Ų358 Ų582%0.01628%0.284CS..Hα-helixtrans-60.7-44-179.9-72.5168.2000111.8A3 V11 L15 V21 A31 L32 A35 V43 V44 K49 Y50 G51 A52A3-L47 HydrophobicContact CB-CD1 4.45Å; V11-L47 HydrophobicContact CG1-CD2 4.04Å; V11-L47 HydrophobicContact CG1-CG 4.41Å; L15-L47 HydrophobicContact CD1-CD2 4.1Å; V21-L47 HydrophobicContact CG2-CD2 3.86Å; A31-L47 HydrophobicContact CB-CD1 3.88Å; A31-L47 HydrophobicContact CB-CD2 3.89Å; L32-L47 HydrophobicContact CB-CD1 4.39Å; L32-L47 HydrophobicContact CD1-CB 4.13Å; L32-L47 HydrophobicContact CD1-CD1 4.4Å; A35-L47 HydrophobicContact CB-CD1 4.06Å; V43-L47 HydrophobicContact CG1-CD1 3.77Å; V43-L47 HydrophobicContact CG1-CG 4.21Å; V43-L47 WeakPolarHBondContact O-CB 3.42Å; V43-L47 WeakPolarHBondContact O-CG 3.47Å; V43-L47 PolarHBondContact O-N 2.88Å; V44-L47 PolarHBondContact O-N 3.2Å; L47-K49 VanDerWaalsContact C-N 3.32Å; L47-K49 PolarHBondContact O-N 3.27Å; L47-Y50 CarbonylContact O-C 3.58Å; L47-Y50 PolarHBondContact O-N 3.17Å; L47-G51 PolarHBondContact O-N 3.43Å; L47-A52 HydrophobicContact CB-CB 4Å; L47-A52 WeakPolarHBondContact O-CB 3.27Å; L47-A52 PolarHBondContact O-N 3.45Å
48I94.9Very high94.2Very high34 Ų3454.8 Ų54.817%0.17427%0.269CS..Hα-helixtrans-59.9-43.8176.1-67.6163.1000110.5L32 V44 E45 L46 Y50 G51 V54 I79 L80 A83L32-I48 HydrophobicContact CD1-CD1 4.49Å; L32-I48 HydrophobicContact CD1-CG1 4.07Å; V44-I48 HydrophobicContact CG1-CD1 3.67Å; V44-I48 WeakPolarHBondContact O-CD1 3.5Å; V44-I48 VanDerWaalsContact O-CG1 3.28Å; V44-I48 WeakPolarHBondContact O-CG1 3.34Å; V44-I48 PolarHBondContact O-N 3.43Å; E45-I48 PolarHBondContact O-N 3.08Å; L46-I48 PolarHBondContact O-N 2.79Å; I48-Y50 VanDerWaalsContact C-N 3.26Å; I48-Y50 PolarHBondContact O-N 3.47Å; I48-G51 PolarHBondContact O-N 2.99Å; I48-V54 HydrophobicContact CG1-CG1 4.26Å; I48-I79 HydrophobicContact CD1-CG2 3.76Å; I48-L80 HydrophobicContact CD1-CD2 4.08Å; I48-A83 HydrophobicContact CD1-CB 3.88Å; I48-A83 HydrophobicContact CG1-CB 4.23Å; I48-A83 HydrophobicContact CG2-CB 3.73Å
49K94Very high94.1Very high172 Ų17254.3 Ų54.375%0.74827%0.266SS*.Hα-helixtrans-60.9-33177.8-178.9179.5178.1179.80113.1E45 L46 L47 G51E45-K49 WeakPolarHBondContact O-CB 3.33Å; E45-K49 PolarHBondContact O-N 3.42Å; L46-K49 WeakPolarHBondContact O-CB 3.46Å; L46-K49 PolarHBondContact O-N 3.24Å; L47-K49 VanDerWaalsContact C-N 3.32Å; L47-K49 PolarHBondContact O-N 3.27Å; K49-G51 VanDerWaalsContact C-N 3.28Å
50Y93.9Very high93.9Very high79 Ų7952.8 Ų52.831%0.3126%0.257SS..THydrogen-bonded Turntrans-87.19.3175.7-78.7-88.5000113.6E12 L15 K16 L46 L47 I48E12-Y50 HydrophobicContact CG-CE2 4.49Å; L15-Y50 HydrophobicContact CB-CD1 3.85Å; L15-Y50 HydrophobicContact CB-CD2 4.25Å; L15-Y50 HydrophobicContact CB-CE1 4.02Å; L15-Y50 HydrophobicContact CB-CE2 4.41Å; L15-Y50 HydrophobicContact CB-CG 3.98Å; L15-Y50 HydrophobicContact CD1-CD1 4.5Å; L15-Y50 HydrophobicContact CD1-CD2 3.6Å; L15-Y50 HydrophobicContact CD1-CE2 4.2Å; L15-Y50 HydrophobicContact CD1-CG 3.78Å; L15-Y50 HydrophobicContact CG-CG 4.35Å; K16-Y50 WeakPolarHBondContact CE-OH 3.19Å; K16-Y50 WeakPolarHBondContact CG-OH 3.37Å; L46-Y50 HydrophobicContact CD1-CD2 4.09Å; L46-Y50 HydrophobicContact CD1-CE2 3.65Å; L46-Y50 HydrophobicContact CG-CD2 4.19Å; L46-Y50 HydrophobicContact CG-CE2 4.15Å; L46-Y50 VanDerWaalsContact O-CD2 3.28Å; L46-Y50 WeakPolarHBondContact O-CD2 3.35Å; L46-Y50 PolarHBondContact O-N 3.14Å; L46-Y50 VanDerWaalsContact O-N 3.11Å; L47-Y50 CarbonylContact O-C 3.58Å; L47-Y50 PolarHBondContact O-N 3.17Å; I48-Y50 VanDerWaalsContact C-N 3.26Å; I48-Y50 PolarHBondContact O-N 3.47Å
51G91.2Very high93.6Very high45 Ų4553.8 Ų53.846%0.46427%0.268SS..THydrogen-bonded Turntrans86.331.1173.600000114.6L47 I48 K49 D53L47-G51 PolarHBondContact O-N 3.43Å; I48-G51 PolarHBondContact O-N 2.99Å; K49-G51 VanDerWaalsContact C-N 3.28Å; G51-D53 PolarHBondContact O-N 3.07Å
52A94.8Very high93.5Very high1 Ų152.7 Ų52.71%0.00826%0.263CS..  trans-59.2130.8168.600000110.8V21 L32 L47 V54 Q87V21-A52 HydrophobicContact CG2-CB 3.72Å; L32-A52 HydrophobicContact CB-CB 4.42Å; L32-A52 HydrophobicContact CD2-CB 4.24Å; L47-A52 HydrophobicContact CB-CB 4Å; L47-A52 WeakPolarHBondContact O-CB 3.27Å; L47-A52 PolarHBondContact O-N 3.45Å; A52-V54 PolarHBondContact O-N 2.97Å; A52-Q87 PolarHBondContact O-NE2 3.49Å
53D93.7Very high93.4Very high59 Ų5946.3 Ų46.332%0.31623%0.234SC..  trans-76.4109.1176.4174.48000110N22 G51 H55 T56N22-D53 PolarHBondContact OD1-N 3.27Å; G51-D53 PolarHBondContact O-N 3.07Å; D53-H55 VanDerWaalsContact C-N 3.28Å; D53-H55 PolarHBondContact O-N 3.25Å; D53-H55 WeakPolarHBondContact OD1-CA 3.42Å; D53-H55 WeakPolarHBondContact OD1-CB 3.32Å; D53-H55 PolarHBondContact OD1-N 2.97Å; D53-T56 HydrophobicContact CB-CG2 3.75Å; D53-T56 PolarHBondContact O-N 3.48Å; D53-T56 PolarHBondContact O-OG1 3.29Å; D53-T56 PolarHBondContact OD1-N 3.47Å; D53-T56 WeakPolarHBondContact OD2-CG2 3.35Å
54V93.8Very high93.3Very high1 Ų146.3 Ų46.31%0.00623%0.234CC..THydrogen-bonded Turntrans-76.8-15.1-177.6-63.20000113.1L32 I48 A52 T56 L80 A83 M84 Q87L32-V54 HydrophobicContact CD2-CB 4.37Å; L32-V54 HydrophobicContact CD2-CG1 3.82Å; I48-V54 HydrophobicContact CG1-CG1 4.26Å; A52-V54 PolarHBondContact O-N 2.97Å; V54-T56 VanDerWaalsContact C-N 3.34Å; V54-L80 HydrophobicContact CG1-CD2 4.44Å; V54-A83 HydrophobicContact CG1-CB 3.87Å; V54-M84 HydrophobicContact CB-CG 4.06Å; V54-M84 HydrophobicContact CG2-CB 4.19Å; V54-M84 HydrophobicContact CG2-CG 3.57Å; V54-Q87 HydrophobicContact CG2-CB 4.41Å; V54-Q87 HydrophobicContact CG2-CG 4.34Å
55H92Very high93.3Very high72 Ų7248.3 Ų48.333%0.33324%0.242SC..THydrogen-bonded Turntrans-90.9-2.7178.2-58.2-63.1000112.5D53 Q57D53-H55 VanDerWaalsContact C-N 3.28Å; D53-H55 PolarHBondContact O-N 3.25Å; D53-H55 WeakPolarHBondContact OD1-CA 3.42Å; D53-H55 WeakPolarHBondContact OD1-CB 3.32Å; D53-H55 PolarHBondContact OD1-N 2.97Å; H55-Q57 PolarHBondContact O-N 3.2Å
56T91.6Very high93.2Very high9 Ų946.7 Ų46.76%0.05524%0.237CC..  trans-59130.9175.349.70000111.1T30 H33 D53 V54T30-T56 HydrophobicContact CG2-CG2 4.27Å; H33-T56 PolarHBondContact CE1-O 3.2Å; H33-T56 VanDerWaalsContact CE1-O 3.26Å; H33-T56 PolarHBondContact CE1-OG1 3.49Å; H33-T56 PolarHBondContact NE2-O 3.38Å; D53-T56 HydrophobicContact CB-CG2 3.75Å; D53-T56 PolarHBondContact O-N 3.48Å; D53-T56 PolarHBondContact O-OG1 3.29Å; D53-T56 PolarHBondContact OD1-N 3.47Å; D53-T56 WeakPolarHBondContact OD2-CG2 3.35Å; V54-T56 VanDerWaalsContact C-N 3.34Å
57Q92.6Very high93.1Very high114 Ų11446.2 Ų46.253%0.53323%0.234SC..  trans-98136.2172.3-67.8-179.8-3.400110.7H55 T63H55-Q57 PolarHBondContact O-N 3.2Å; Q57-T63 HydrophobicContact CG-CG2 3.98Å
58S91.6Very high93.1Very high8 Ų846 Ų466%0.05623%0.233CC..  trans-70.2176.2167.364.70000112.1H33 F60 C61 K62H33-S58 PolarHBondContact NE2-N 3.44Å; S58-F60 PolarHBondContact O-N 3.45Å; S58-F60 VanDerWaalsContact O-N 3.12Å; S58-F60 PolarHBondContact OG-N 2.95Å; S58-C61 PolarHBondContact O-N 3.38Å; S58-C61 VanDerWaalsContact O-N 3.1Å; S58-K62 WeakPolarHBondContact CB-O 3.45Å; S58-K62 PolarHBondContact N-O 2.87Å; S58-K62 PolarHBondContact OG-N 2.89Å; S58-K62 PolarHBondContact OG-O 3.42Å
59K91.1Very high93.1Very high78 Ų7848.9 Ų48.934%0.33925%0.248SC..THydrogen-bonded Turntrans-60.1-18.1171.9-177.1-179.3-176-171.40113.2L27 K28 C61 R262L27-K59 HydrophobicContact CD2-CD 4.19Å; L27-K59 WeakPolarHBondContact O-CB 3.4Å; L27-K59 PolarHBondContact O-N 3.49Å; K28-K59 HydrophobicContact CB-CB 4.39Å; K28-K59 HydrophobicContact CG-CB 4.5Å; K59-C61 VanDerWaalsContact C-N 3.34Å; K59-R262 VanDerWaalsContact CE-CZ 3.4Å; K59-R262 VanDerWaalsContact CE-NH1 3.27Å
60F88.5Confident93Very high37 Ų3745.2 Ų45.216%0.16224%0.236CC..THydrogen-bonded Turntrans-94.810.6-180-53.2-66.5000112.9L27 S58 K62 I259 V263L27-F60 HydrophobicContact CD2-CZ 4.46Å; S58-F60 PolarHBondContact O-N 3.45Å; S58-F60 VanDerWaalsContact O-N 3.12Å; S58-F60 PolarHBondContact OG-N 2.95Å; F60-K62 HydrophobicContact CB-CG 4.39Å; F60-K62 PolarHBondContact O-N 3.2Å; F60-K62 VanDerWaalsContact O-N 3.1Å; F60-I259 HydrophobicContact CB-CD1 3.87Å; F60-I259 HydrophobicContact CB-CG1 4Å; F60-I259 HydrophobicContact CD1-CD1 4.41Å; F60-I259 HydrophobicContact CD1-CG1 3.59Å; F60-I259 HydrophobicContact CE1-CG1 4.38Å; F60-I259 HydrophobicContact CG-CD1 4.43Å; F60-I259 HydrophobicContact CG-CG1 4.07Å; F60-V263 HydrophobicContact CZ-CG2 4.39Å
61C90.9Very high92.8Very high73 Ų7344.7 Ų44.749%0.49324%0.239SC..SBendtrans59.217.9-174.7-55.40000113.7S58 K59S58-C61 PolarHBondContact O-N 3.38Å; S58-C61 VanDerWaalsContact O-N 3.1Å; K59-C61 VanDerWaalsContact C-N 3.34Å
62K92.1Very high92.8Very high54 Ų5445.3 Ų45.324%0.23525%0.246CC..  trans-96.7134.3175.4-67.8-174.7176.3-177.30109.9H33 S58 F60 D66 I67 D70 I259H33-K62 PolarHBondContact NE2-O 3.36Å; S58-K62 WeakPolarHBondContact CB-O 3.45Å; S58-K62 PolarHBondContact N-O 2.87Å; S58-K62 PolarHBondContact OG-N 2.89Å; S58-K62 PolarHBondContact OG-O 3.42Å; F60-K62 HydrophobicContact CB-CG 4.39Å; F60-K62 PolarHBondContact O-N 3.2Å; F60-K62 VanDerWaalsContact O-N 3.1Å; K62-D66 HydrophobicContact CB-CB 4.03Å; K62-D66 HydrophobicContact CG-CB 4.22Å; K62-I67 HydrophobicContact CB-CG1 4.24Å; K62-I67 HydrophobicContact CD-CG1 4.48Å; K62-D70 WeakPolarHBondContact CD-OD2 3.48Å; K62-D70 WeakPolarHBondContact CE-OD2 3.44Å; K62-D70 IonicContact NZ-OD2 2.62Å; K62-D70 PolarHBondContact NZ-OD2 3.36Å; K62-I259 HydrophobicContact CD-CD1 4.45Å
63T95Very high92.7Very high15 Ų1546.6 Ų46.69%0.09225%0.253CS..  trans-83.4168.816562.60000110.3Q57 F65 D66 I67Q57-T63 HydrophobicContact CG-CG2 3.98Å; T63-F65 PolarHBondContact O-N 2.88Å; T63-F65 PolarHBondContact OG1-N 2.68Å; T63-D66 WeakPolarHBondContact CB-OD2 3.47Å; T63-D66 PolarHBondContact N-OD2 3.35Å; T63-D66 PolarHBondContact O-N 2.99Å; T63-D66 VanDerWaalsContact O-N 3.16Å; T63-D66 VanDerWaalsContact OG1-CG 3.25Å; T63-D66 PolarHBondContact OG1-N 3.47Å; T63-D66 PolarHBondContact OG1-OD2 3.21Å; T63-I67 WeakPolarHBondContact O-CG1 3.36Å; T63-I67 PolarHBondContact O-N 3.26Å; T63-I67 VanDerWaalsContact O-N 3.16Å
64A94.1Very high92.7Very high0 Ų051.8 Ų51.80%028%0.275CS..Hα-helixtrans-56.1-37.8171.500000111.5L32 T36 I67 S68 L80L32-A64 HydrophobicContact CD2-CB 3.83Å; L32-A64 HydrophobicContact CG-CB 3.81Å; T36-A64 WeakPolarHBondContact CG2-O 3.21Å; A64-I67 PolarHBondContact O-N 2.87Å; A64-S68 PolarHBondContact O-N 3.42Å; A64-L80 HydrophobicContact CB-CD1 4.11Å; A64-L80 HydrophobicContact CB-CD2 3.93Å; A64-L80 WeakPolarHBondContact O-CD1 3.28Å
65F95.9Very high92.7Very high42 Ų4256.5 Ų56.518%0.18430%0.3CS..Hα-helixtrans-61.3-46.6175.6177.6-100.8000112T63 I67 S68 I69 A77 L80 Q81 M84T63-F65 PolarHBondContact O-N 2.88Å; T63-F65 PolarHBondContact OG1-N 2.68Å; F65-I67 VanDerWaalsContact C-N 3.26Å; F65-I67 PolarHBondContact O-N 2.86Å; F65-S68 PolarHBondContact O-N 3.39Å; F65-S68 PolarHBondContact O-OG 3.14Å; F65-I69 HydrophobicContact CD1-CG1 4.36Å; F65-I69 HydrophobicContact CE1-CD1 4.41Å; F65-I69 HydrophobicContact CE1-CG1 3.93Å; F65-I69 HydrophobicContact CE2-CD1 4.19Å; F65-I69 HydrophobicContact CE2-CG1 4.32Å; F65-I69 HydrophobicContact CZ-CD1 3.9Å; F65-I69 HydrophobicContact CZ-CG1 3.91Å; F65-I69 WeakPolarHBondContact O-CG1 3.29Å; F65-I69 PolarHBondContact O-N 3.28Å; F65-I69 VanDerWaalsContact O-N 3.13Å; F65-A77 HydrophobicContact CE2-CB 4.07Å; F65-L80 HydrophobicContact CB-CB 4.33Å; F65-L80 HydrophobicContact CD2-CB 4.21Å; F65-Q81 HydrophobicContact CD2-CB 4.36Å; F65-Q81 HydrophobicContact CE2-CB 3.99Å; F65-M84 HydrophobicContact CB-SD 3.68Å; F65-M84 HydrophobicContact CD2-SD 4.35Å; F65-M84 HydrophobicContact CG-SD 3.94Å
66D94.3Very high92.9Very high60 Ų6053.1 Ų53.132%0.32128%0.284SS..Hα-helixtrans-58.5-40.6177.9-58-54000111.6K62 T63 S68 I69 D70K62-D66 HydrophobicContact CB-CB 4.03Å; K62-D66 HydrophobicContact CG-CB 4.22Å; T63-D66 WeakPolarHBondContact CB-OD2 3.47Å; T63-D66 PolarHBondContact N-OD2 3.35Å; T63-D66 PolarHBondContact O-N 2.99Å; T63-D66 VanDerWaalsContact O-N 3.16Å; T63-D66 VanDerWaalsContact OG1-CG 3.25Å; T63-D66 PolarHBondContact OG1-N 3.47Å; T63-D66 PolarHBondContact OG1-OD2 3.21Å; D66-S68 PolarHBondContact O-N 3.42Å; D66-I69 PolarHBondContact O-N 3.4Å; D66-D70 VanDerWaalsContact O-CG 3.26Å; D66-D70 PolarHBondContact O-N 3.36Å
67I93.9Very high93Very high14 Ų1453.1 Ų53.17%0.07229%0.286CS..Hα-helixtrans-62.7-41.3175.9-64.1173.1000111.4H33 T36 E37 K62 T63 A64 F65 I69 D70 N71H33-I67 HydrophobicContact CB-CD1 3.98Å; T36-I67 HydrophobicContact CG2-CB 4.32Å; T36-I67 HydrophobicContact CG2-CG2 4.15Å; E37-I67 HydrophobicContact CB-CG2 3.99Å; K62-I67 HydrophobicContact CB-CG1 4.24Å; K62-I67 HydrophobicContact CD-CG1 4.48Å; T63-I67 WeakPolarHBondContact O-CG1 3.36Å; T63-I67 PolarHBondContact O-N 3.26Å; T63-I67 VanDerWaalsContact O-N 3.16Å; A64-I67 PolarHBondContact O-N 2.87Å; F65-I67 VanDerWaalsContact C-N 3.26Å; F65-I67 PolarHBondContact O-N 2.86Å; I67-I69 VanDerWaalsContact C-N 3.27Å; I67-I69 PolarHBondContact O-N 3Å; I67-D70 PolarHBondContact O-N 3.23Å; I67-N71 WeakPolarHBondContact O-CB 3.48Å; I67-N71 PolarHBondContact O-N 2.91Å
68S94.9Very high93.1Very high0 Ų053.7 Ų53.70%029%0.288CS..Hα-helixtrans-63-35177.968.50000112.9A64 F65 D66 G72 N73 A77A64-S68 PolarHBondContact O-N 3.42Å; F65-S68 PolarHBondContact O-N 3.39Å; F65-S68 PolarHBondContact O-OG 3.14Å; D66-S68 PolarHBondContact O-N 3.42Å; S68-G72 PolarHBondContact O-N 2.96Å; S68-N73 PolarHBondContact O-N 3.01Å; S68-A77 VanDerWaalsContact OG-CA 3.27Å; S68-A77 WeakPolarHBondContact OG-CA 3.11Å; S68-A77 WeakPolarHBondContact OG-CB 3.38Å
69I95Very high93.3Very high94 Ų9455 Ų5548%0.48229%0.294SS..Hα-helixtrans-70.2-44.6175.7-62.2-60.6000110.7F65 D66 I67 N71 G72 A77F65-I69 HydrophobicContact CD1-CG1 4.36Å; F65-I69 HydrophobicContact CE1-CD1 4.41Å; F65-I69 HydrophobicContact CE1-CG1 3.93Å; F65-I69 HydrophobicContact CE2-CD1 4.19Å; F65-I69 HydrophobicContact CE2-CG1 4.32Å; F65-I69 HydrophobicContact CZ-CD1 3.9Å; F65-I69 HydrophobicContact CZ-CG1 3.91Å; F65-I69 WeakPolarHBondContact O-CG1 3.29Å; F65-I69 PolarHBondContact O-N 3.28Å; F65-I69 VanDerWaalsContact O-N 3.13Å; D66-I69 PolarHBondContact O-N 3.4Å; I67-I69 VanDerWaalsContact C-N 3.27Å; I67-I69 PolarHBondContact O-N 3Å; I69-N71 VanDerWaalsContact C-N 3.26Å; I69-N71 PolarHBondContact O-N 3.38Å; I69-G72 PolarHBondContact O-N 2.95Å; I69-A77 HydrophobicContact CD1-CB 3.69Å
70D92.6Very high93.4Very high94 Ų9451.3 Ų51.350%0.50328%0.278SS..Hα-helixtrans-61.3-36.7177.4-66.8-30.8000112.1K62 D66 I67 G72K62-D70 WeakPolarHBondContact CD-OD2 3.48Å; K62-D70 WeakPolarHBondContact CE-OD2 3.44Å; K62-D70 IonicContact NZ-OD2 2.62Å; K62-D70 PolarHBondContact NZ-OD2 3.36Å; D66-D70 VanDerWaalsContact O-CG 3.26Å; D66-D70 PolarHBondContact O-N 3.36Å; I67-D70 PolarHBondContact O-N 3.23Å; D70-G72 PolarHBondContact O-N 2.77Å
71N89.8Confident93.7Very high68 Ų6853.7 Ų53.736%0.36429%0.29SS..THydrogen-bonded Turntrans-75.3-9.2175.7-75.74.6000113.5T36 E37 N39 I67 I69 N73T36-N71 PolarHBondContact O-ND2 3.18Å; E37-N71 WeakPolarHBondContact CA-ND2 3.38Å; E37-N71 PolarHBondContact O-ND2 3.03Å; N39-N71 PolarHBondContact OD1-ND2 3.04Å; I67-N71 WeakPolarHBondContact O-CB 3.48Å; I67-N71 PolarHBondContact O-N 2.91Å; I69-N71 VanDerWaalsContact C-N 3.26Å; I69-N71 PolarHBondContact O-N 3.38Å; N71-N73 PolarHBondContact O-N 3.39Å
72G91.3Very high93.7Very high59 Ų5954.3 Ų54.361%0.60829%0.287SS*.THydrogen-bonded Turntrans64.524.9-175.500000113.8S68 I69 D70 E74S68-G72 PolarHBondContact O-N 2.96Å; I69-G72 PolarHBondContact O-N 2.95Å; D70-G72 PolarHBondContact O-N 2.77Å; G72-E74 PolarHBondContact O-N 2.76Å
73N92.4Very high93.7Very high28 Ų2852 Ų5215%0.1528%0.279CS..  trans-94.293.7179.6-169.5-32.2000110.2N39 S68 N71 D75 L76 A77N39-N73 PolarHBondContact ND2-ND2 3.02Å; S68-N73 PolarHBondContact O-N 3.01Å; N71-N73 PolarHBondContact O-N 3.39Å; N73-D75 VanDerWaalsContact C-N 3.32Å; N73-D75 PolarHBondContact O-N 3.01Å; N73-D75 PolarHBondContact OD1-N 3.27Å; N73-L76 HydrophobicContact CB-CB 4.16Å; N73-L76 HydrophobicContact CB-CD1 4.33Å; N73-L76 WeakPolarHBondContact ND2-CD1 3.38Å; N73-L76 PolarHBondContact O-N 3.39Å; N73-L76 PolarHBondContact OD1-N 2.86Å; N73-A77 WeakPolarHBondContact O-CB 3.23Å; N73-A77 PolarHBondContact O-N 3.29Å
74E93.7Very high93.4Very high167 Ų16752.9 Ų52.978%0.7828%0.282SS*.Hα-helixtrans-60.8-39-178.9-63.6-179-178.400112.4G72 A77 E78G72-E74 PolarHBondContact O-N 2.76Å; E74-A77 PolarHBondContact O-N 3.46Å; E74-E78 PolarHBondContact O-N 2.91Å
75D93.9Very high93.1Very high101 Ų10157.6 Ų57.654%0.5430%0.304SS..Hα-helixtrans-63.9-45.6-179.6-61-42.3000111.2N73 E78 I79N73-D75 VanDerWaalsContact C-N 3.32Å; N73-D75 PolarHBondContact O-N 3.01Å; N73-D75 PolarHBondContact OD1-N 3.27Å; D75-E78 PolarHBondContact O-N 3.03Å; D75-I79 WeakPolarHBondContact O-CG1 3.5Å; D75-I79 PolarHBondContact O-N 3.37Å
76L94.8Very high92.5Very high0 Ų060 Ų600%032%0.319CS..Hα-helixtrans-66.6-39.2175.9-84.9175.4000112.3T36 N39 Q41 V44 N73 E78 I79 L80T36-L76 HydrophobicContact CG2-CD1 4.31Å; N39-L76 HydrophobicContact CB-CD1 4.23Å; Q41-L76 HydrophobicContact CB-CD2 4.25Å; Q41-L76 HydrophobicContact CG-CD2 4.33Å; V44-L76 HydrophobicContact CB-CD2 3.82Å; V44-L76 HydrophobicContact CG1-CD2 3.82Å; V44-L76 HydrophobicContact CG2-CD2 3.75Å; N73-L76 HydrophobicContact CB-CB 4.16Å; N73-L76 HydrophobicContact CB-CD1 4.33Å; N73-L76 WeakPolarHBondContact ND2-CD1 3.38Å; N73-L76 PolarHBondContact O-N 3.39Å; N73-L76 PolarHBondContact OD1-N 2.86Å; L76-E78 VanDerWaalsContact C-N 3.3Å; L76-E78 PolarHBondContact O-N 2.91Å; L76-I79 PolarHBondContact O-N 2.76Å; L76-L80 WeakPolarHBondContact O-CB 3.34Å; L76-L80 WeakPolarHBondContact O-CD1 3.41Å; L76-L80 VanDerWaalsContact O-CG 3.32Å; L76-L80 WeakPolarHBondContact O-CG 3.27Å; L76-L80 PolarHBondContact O-N 3.26Å
77A95.1Very high91.8Very high10 Ų1059.2 Ų59.28%0.08331%0.313CS..Hα-helixtrans-61.2-41.8176.200000111.1F65 S68 I69 N73 E74 L80 Q81F65-A77 HydrophobicContact CE2-CB 4.07Å; S68-A77 VanDerWaalsContact OG-CA 3.27Å; S68-A77 WeakPolarHBondContact OG-CA 3.11Å; S68-A77 WeakPolarHBondContact OG-CB 3.38Å; I69-A77 HydrophobicContact CD1-CB 3.69Å; N73-A77 WeakPolarHBondContact O-CB 3.23Å; N73-A77 PolarHBondContact O-N 3.29Å; E74-A77 PolarHBondContact O-N 3.46Å; A77-L80 PolarHBondContact O-N 2.99Å; A77-Q81 WeakPolarHBondContact O-CB 3.36Å; A77-Q81 PolarHBondContact O-N 3.11Å
78E94.9Very high90.2Very high126 Ų12663.2 Ų63.259%0.58933%0.333SS*.Hα-helixtrans-63-48.3175.7-172.6173.9-173.100111.5E74 D75 L76 L80 Q81 I82E74-E78 PolarHBondContact O-N 2.91Å; D75-E78 PolarHBondContact O-N 3.03Å; L76-E78 VanDerWaalsContact C-N 3.3Å; L76-E78 PolarHBondContact O-N 2.91Å; E78-L80 VanDerWaalsContact C-N 3.33Å; E78-L80 PolarHBondContact O-N 3.49Å; E78-Q81 PolarHBondContact O-N 3.47Å; E78-I82 HydrophobicContact CG-CD1 3.89Å; E78-I82 WeakPolarHBondContact O-CB 3.5Å; E78-I82 VanDerWaalsContact O-CG1 3.25Å; E78-I82 WeakPolarHBondContact O-CG1 3.28Å; E78-I82 PolarHBondContact O-N 2.83Å
79I94.6Very high88.2Confident34 Ų3468.9 Ų68.917%0.17436%0.364CS..Hα-helixtrans-57.8-46.7178.2-69.3164.5000111.1Q41 V44 E45 I48 D75 L76 I82 A83Q41-I79 HydrophobicContact CG-CD1 3.59Å; V44-I79 HydrophobicContact CG1-CG2 4.26Å; E45-I79 HydrophobicContact CG-CD1 4.16Å; E45-I79 HydrophobicContact CG-CG2 4.23Å; I48-I79 HydrophobicContact CD1-CG2 3.76Å; D75-I79 WeakPolarHBondContact O-CG1 3.5Å; D75-I79 PolarHBondContact O-N 3.37Å; L76-I79 PolarHBondContact O-N 2.76Å; I79-I82 PolarHBondContact O-N 2.85Å; I79-A83 WeakPolarHBondContact O-CB 3.39Å; I79-A83 PolarHBondContact O-N 3.15Å
80L94.1Very high86.1Confident1 Ų169.3 Ų69.31%0.00537%0.371CS..Hα-helixtrans-69.7-39.2-179.3-72.2164.9000111.7L32 T36 V44 I48 V54 A64 F65 L76 A77 E78 I82 A83 M84L32-L80 HydrophobicContact CD1-CD2 4.24Å; L32-L80 HydrophobicContact CD2-CD2 4.16Å; L32-L80 HydrophobicContact CG-CD2 4.38Å; T36-L80 HydrophobicContact CG2-CD1 3.75Å; V44-L80 HydrophobicContact CG1-CD2 4.13Å; V44-L80 HydrophobicContact CG1-CG 4.36Å; I48-L80 HydrophobicContact CD1-CD2 4.08Å; V54-L80 HydrophobicContact CG1-CD2 4.44Å; A64-L80 HydrophobicContact CB-CD1 4.11Å; A64-L80 HydrophobicContact CB-CD2 3.93Å; A64-L80 WeakPolarHBondContact O-CD1 3.28Å; F65-L80 HydrophobicContact CB-CB 4.33Å; F65-L80 HydrophobicContact CD2-CB 4.21Å; L76-L80 WeakPolarHBondContact O-CB 3.34Å; L76-L80 WeakPolarHBondContact O-CD1 3.41Å; L76-L80 VanDerWaalsContact O-CG 3.32Å; L76-L80 WeakPolarHBondContact O-CG 3.27Å; L76-L80 PolarHBondContact O-N 3.26Å; A77-L80 PolarHBondContact O-N 2.99Å; E78-L80 VanDerWaalsContact C-N 3.33Å; E78-L80 PolarHBondContact O-N 3.49Å; L80-I82 PolarHBondContact O-N 3.31Å; L80-A83 PolarHBondContact O-N 3.44Å; L80-M84 WeakPolarHBondContact O-CB 3.24Å; L80-M84 VanDerWaalsContact O-CG 3.24Å; L80-M84 WeakPolarHBondContact O-CG 3.14Å; L80-M84 PolarHBondContact O-N 2.87Å
81Q93.4Very high83.6Confident87 Ų8770.5 Ų70.541%0.40738%0.377SS..Hα-helixtrans-62.1-42.7175.4-176.862.567.300111.7F65 A77 E78 M84 Q85F65-Q81 HydrophobicContact CD2-CB 4.36Å; F65-Q81 HydrophobicContact CE2-CB 3.99Å; A77-Q81 WeakPolarHBondContact O-CB 3.36Å; A77-Q81 PolarHBondContact O-N 3.11Å; E78-Q81 PolarHBondContact O-N 3.47Å; Q81-M84 PolarHBondContact O-N 3.25Å; Q81-Q85 PolarHBondContact O-N 3.35Å; Q81-Q85 VanDerWaalsContact O-N 3.1Å
82I91.8Very high81.6Confident87 Ų8773.1 Ų73.145%0.44640%0.398SS..Hα-helixtrans-62.1-46.1173.9-69.1166.2000109.8E78 I79 L80 M84 Q85 N86E78-I82 HydrophobicContact CG-CD1 3.89Å; E78-I82 WeakPolarHBondContact O-CB 3.5Å; E78-I82 VanDerWaalsContact O-CG1 3.25Å; E78-I82 WeakPolarHBondContact O-CG1 3.28Å; E78-I82 PolarHBondContact O-N 2.83Å; I79-I82 PolarHBondContact O-N 2.85Å; L80-I82 PolarHBondContact O-N 3.31Å; I82-M84 PolarHBondContact O-N 3.31Å; I82-Q85 PolarHBondContact O-N 3.18Å; I82-N86 WeakPolarHBondContact CG2-ND2 3.48Å; I82-N86 VanDerWaalsContact O-CG 3.23Å; I82-N86 PolarHBondContact O-N 3.19Å; I82-N86 PolarHBondContact O-ND2 3.42Å
83A91.4Very high79.4Confident6 Ų678 Ų785%0.0541%0.405CS..Hα-helixtrans-62.5-40.5179.300000112.6I48 V54 I79 L80 N86 Q87I48-A83 HydrophobicContact CD1-CB 3.88Å; I48-A83 HydrophobicContact CG1-CB 4.23Å; I48-A83 HydrophobicContact CG2-CB 3.73Å; V54-A83 HydrophobicContact CG1-CB 3.87Å; I79-A83 WeakPolarHBondContact O-CB 3.39Å; I79-A83 PolarHBondContact O-N 3.15Å; L80-A83 PolarHBondContact O-N 3.44Å; A83-N86 PolarHBondContact O-N 3.23Å; A83-Q87 WeakPolarHBondContact O-CG 3.22Å; A83-Q87 PolarHBondContact O-N 3Å
84M90Very high77.1Confident33 Ų3382 Ų8216%0.16344%0.435CS..Hα-helixtrans-58.8-47.2173.6-73171.774.400111.4V54 F65 L80 Q81 I82 N86 Q87 I88V54-M84 HydrophobicContact CB-CG 4.06Å; V54-M84 HydrophobicContact CG2-CB 4.19Å; V54-M84 HydrophobicContact CG2-CG 3.57Å; F65-M84 HydrophobicContact CB-SD 3.68Å; F65-M84 HydrophobicContact CD2-SD 4.35Å; F65-M84 HydrophobicContact CG-SD 3.94Å; L80-M84 WeakPolarHBondContact O-CB 3.24Å; L80-M84 VanDerWaalsContact O-CG 3.24Å; L80-M84 WeakPolarHBondContact O-CG 3.14Å; L80-M84 PolarHBondContact O-N 2.87Å; Q81-M84 PolarHBondContact O-N 3.25Å; I82-M84 PolarHBondContact O-N 3.31Å; M84-N86 VanDerWaalsContact C-N 3.26Å; M84-N86 PolarHBondContact O-N 3.06Å; M84-Q87 PolarHBondContact O-N 3.44Å; M84-I88 WeakPolarHBondContact O-CD1 3.42Å; M84-I88 WeakPolarHBondContact O-CG1 3.22Å; M84-I88 PolarHBondContact O-N 3.19Å
85Q86.8Confident75.2Confident99 Ų9979.2 Ų79.246%0.46343%0.431SS..Hα-helixtrans-64.3-33.8179.1-170.75773.500112.5Q81 I82 N89Q81-Q85 PolarHBondContact O-N 3.35Å; Q81-Q85 VanDerWaalsContact O-N 3.1Å; I82-Q85 PolarHBondContact O-N 3.18Å; Q85-N89 PolarHBondContact O-ND2 3.18Å; Q85-N89 VanDerWaalsContact O-ND2 3.13Å
86N84.1Confident72.6Confident93 Ų9381 Ų8150%0.49744%0.441SS..Hα-helixtrans-73.3-38.6178.7-70-26.1000112.6I82 A83 M84 N89I82-N86 WeakPolarHBondContact CG2-ND2 3.48Å; I82-N86 VanDerWaalsContact O-CG 3.23Å; I82-N86 PolarHBondContact O-N 3.19Å; I82-N86 PolarHBondContact O-ND2 3.42Å; A83-N86 PolarHBondContact O-N 3.23Å; M84-N86 VanDerWaalsContact C-N 3.26Å; M84-N86 PolarHBondContact O-N 3.06Å; N86-N89 PolarHBondContact O-N 3.11Å
87Q78.9Confident70.1Confident43 Ų4386.5 Ų86.520%0.20148%0.475CS..Hα-helixtrans-73.2-31.7-179.9-69.9-174.328.200113A52 V54 A83 M84 N89 T90A52-Q87 PolarHBondContact O-NE2 3.49Å; V54-Q87 HydrophobicContact CG2-CB 4.41Å; V54-Q87 HydrophobicContact CG2-CG 4.34Å; A83-Q87 WeakPolarHBondContact O-CG 3.22Å; A83-Q87 PolarHBondContact O-N 3Å; M84-Q87 PolarHBondContact O-N 3.44Å; Q87-N89 PolarHBondContact O-N 3.09Å; Q87-T90 WeakPolarHBondContact CA-OG1 3.36Å; Q87-T90 PolarHBondContact O-N 3.45Å; Q87-T90 VanDerWaalsContact O-N 3.08Å; Q87-T90 PolarHBondContact O-OG1 2.82Å
88I60.4Low68Low97 Ų9792.9 Ų92.950%0.49751%0.512SS..Hα-helixtrans-58.9-31.3173.1-67.3163.3000111.8M84 T90M84-I88 WeakPolarHBondContact O-CD1 3.42Å; M84-I88 WeakPolarHBondContact O-CG1 3.22Å; M84-I88 PolarHBondContact O-N 3.19Å; I88-T90 VanDerWaalsContact C-N 3.32Å; I88-T90 PolarHBondContact O-N 3.01Å
89N54.1Low65.2Low120 Ų12093.1 Ų93.164%0.64252%0.523SS*.THydrogen-bonded Turntrans-83.4-4.3-179.7-68-34.2000114Q85 N86 Q87Q85-N89 PolarHBondContact O-ND2 3.18Å; Q85-N89 VanDerWaalsContact O-ND2 3.13Å; N86-N89 PolarHBondContact O-N 3.11Å; Q87-N89 PolarHBondContact O-N 3.09Å
90T49.6Very low62.8Low103 Ų10398.4 Ų98.463%0.63255%0.55SS*.THydrogen-bonded Turntrans-111.56.8-175.5540000114.7Q87 I88 P92Q87-T90 WeakPolarHBondContact CA-OG1 3.36Å; Q87-T90 PolarHBondContact O-N 3.45Å; Q87-T90 VanDerWaalsContact O-N 3.08Å; Q87-T90 PolarHBondContact O-OG1 2.82Å; I88-T90 VanDerWaalsContact C-N 3.32Å; I88-T90 PolarHBondContact O-N 3.01Å; T90-P92 WeakPolarHBondContact O-CD 3.46Å
91N40.2Very low60.2Low118 Ų118106.6 Ų106.663%0.63159%0.588SS**  trans-98.997.9177.6-170.710.9000112.5E93N91-E93 PolarHBondContact OD1-N 3.45Å
92P48.8Very low57.8Low124 Ų124107.6 Ų107.681%0.80561%0.611SS**  trans-98.950159.539.8-34.7000111.2T90T90-P92 WeakPolarHBondContact O-CD 3.46Å
93E43.5Very low55.5Low162 Ų162107.3 Ų107.376%0.75762%0.622SS**  trans-138.686.2166.7-83.7-158.8128.600111.9N91N91-E93 PolarHBondContact OD1-N 3.45Å
94S45.6Very low53.4Low112 Ų112113.3 Ų113.378%0.78366%0.657SS**  trans-116.4112.9134.155.90000107.6D96S94-D96 PolarHBondContact O-N 3.14Å
95P54Low51.3Low107 Ų107117.6 Ų117.670%0.69569%0.688SS**  trans-80.299.4162.430.9-24.1000105.4
96D38Very low49.1Very low138 Ų138122.1 Ų122.174%0.73871%0.709SS**  trans-171.1121.7138.1-90.5-24.2000113.4S94S94-D96 PolarHBondContact O-N 3.14Å
97T42.6Very low46.9Very low116 Ų116126.4 Ų126.471%0.71272%0.724SS**  trans7187.7150.764.40000118.2T99T97-T99 PolarHBondContact O-N 2.99Å
98V50.9Low45Very low144 Ų144132.5 Ų132.587%0.87376%0.756SS**  -4.299124.1-175.80000113.3
99T37.2Very low44.2Very low131 Ų131134.8 Ų134.880%0.80477%0.767SS**  trans-149.198.5146.1-39.60000108.3T97 H101T97-T99 PolarHBondContact O-N 2.99Å; T99-H101 PolarHBondContact O-N 2.83Å
100I43.3Very low43.5Very low145 Ų145131.7 Ų131.774%0.74476%0.764SS**  trans-72.2119174.8-73.8-170.6000108.8
101H40.7Very low43.2Very low174 Ų174133.5 Ų133.581%0.80678%0.777SS**  trans47.7102.3142.9-6071.4000118.7T99T99-H101 PolarHBondContact O-N 2.83Å
102A41.8Very low43.6Very low108 Ų108131.8 Ų131.889%0.89379%0.788SS**  trans-127.883147.100000109.4
103A43.3Very low43.4Very low81 Ų81129.3 Ų129.367%0.66979%0.785SS**SBendtrans172.4120.4139.100000111
104T46.9Very low43.6Very low131 Ų131128.9 Ų128.980%0.80479%0.793SS**  trans64109.5152.458.70000119.3
105P45.7Very low43.7Very low123 Ų123129.4 Ų129.480%0.79979%0.791SS**  trans-104.5140.5133.832.4-26.2000110.8
106Q41.6Very low43.2Very low194 Ų194130.5 Ų130.591%0.90779%0.791SS**  trans-61.5141-175.8-68.7161.8-36.700112.9
107F37.8Very low43.7Very low184 Ų184130.4 Ų130.481%0.80779%0.79SS**  trans-78.9127.4167.2-72.6-90.7000110.4I109F107-I109 HydrophobicContact CB-CG1 4.48Å; F107-I109 HydrophobicContact CD1-CD1 4.14Å; F107-I109 HydrophobicContact CD1-CG1 4.25Å
108I40.1Very low43.9Very low170 Ų170130.9 Ų130.987%0.87279%0.793SS**  trans-121.8104.2151.1-60.1-176.2000106.8
109I43.2Very low43.7Very low145 Ų145127.1 Ų127.174%0.74478%0.784SS**  trans-93.4106.3178-63.6169.7000107.9F107F107-I109 HydrophobicContact CB-CG1 4.48Å; F107-I109 HydrophobicContact CD1-CD1 4.14Å; F107-I109 HydrophobicContact CD1-CG1 4.25Å
110G38.3Very low43.9Very low56 Ų56128.2 Ų128.258%0.57778%0.783SS**  trans-91.5151157.500000110G112G110-G112 PolarHBondContact O-N 3.09Å
111P43.5Very low44Very low140 Ų140127.8 Ų127.891%0.90979%0.788SS**SBendtrans-79.5110.6-167.531.6-31.3000110.9
112G48Very low43.7Very low82 Ų82125.1 Ų125.185%0.84579%0.788SS**SBendtrans119.495.9160.700000115.3G110G110-G112 PolarHBondContact O-N 3.09Å
113G44.7Very low43.3Very low73 Ų73125.4 Ų125.475%0.75378%0.784SS**  trans122.2104.8160.500000114.2
114V48.4Very low42.6Very low152 Ų152131 Ų13192%0.92180%0.796SS**  trans-83.6123.1166-74.60000109
115V48.1Very low41.9Very low124 Ų124132.3 Ų132.375%0.75280%0.798SS**  trans-115.3109.3170.6-159.10000107.4L117V115-L117 HydrophobicContact CG1-CD2 4.21Å
116N42.3Very low41.2Very low129 Ų129131.2 Ų131.269%0.6979%0.793SS**  trans-87.9113.6175.6-172.9-1.6000108.6T118N116-T118 PolarHBondContact ND2-OG1 3.43Å; N116-T118 PolarHBondContact OD1-N 3.33Å; N116-T118 PolarHBondContact OD1-OG1 3.13Å
117L48.5Very low40.8Very low136 Ų136126.7 Ų126.771%0.71278%0.783SS**  trans-94.823.2-178-67.3177.2000113.7V115 G119V115-L117 HydrophobicContact CG1-CD2 4.21Å; L117-G119 PolarHBondContact O-N 3.28Å
118T46.8Very low40.4Very low127 Ų127127.8 Ų127.878%0.77979%0.788SS**THydrogen-bonded Turntrans-72.725.7176.340.30000114.8N116N116-T118 PolarHBondContact ND2-OG1 3.43Å; N116-T118 PolarHBondContact OD1-N 3.33Å; N116-T118 PolarHBondContact OD1-OG1 3.13Å
119G47Very low39.8Very low65 Ų65123.5 Ų123.567%0.6778%0.778SS**THydrogen-bonded Turntrans-115-0.9-175.100000117.5L117L117-G119 PolarHBondContact O-N 3.28Å
120L42.9Very low39.3Very low153 Ų153122.7 Ų122.780%0.80178%0.78SS**SBendtrans-11115.7-166.9-66.7-179.5000116.9
121V44.7Very low38.8Very low137 Ų137127 Ų12783%0.8379%0.789SS**  trans-129.889.2168.1-680000111.5
122S33.6Very low38.1Very low117 Ų117127.5 Ų127.582%0.81878%0.78SS**  trans171.7104.4142.8-77.20000107.2
123S33.8Very low37.2Very low115 Ų115129.9 Ų129.980%0.80478%0.778SS**  86.7102.293.2-162.50000110.8
124E29Very low36.5Very low199 Ų199129.7 Ų129.793%0.9378%0.776SS**  trans-155.1127.6139.2-116.3174.7144.700112.1
125N32.4Very low35.5Very low158 Ų158129.2 Ų129.285%0.84577%0.773SS**  trans-87135.8177.1-167.461.1000107.5
126S29.6Very low34.7Very low99 Ų99128.9 Ų128.969%0.69278%0.777SS**  trans168.7124138-167.10000114.2
127S33.5Very low34.2Very low100 Ų100126.9 Ų126.970%0.69978%0.778SS**  trans53.4112.5137.370.10000123.1
128K29.1Very low33.4Very low206 Ų206126.8 Ų126.890%0.89678%0.783SS**  43.6112.9114.7-164.3-178.3-173.3-1790118.8
129A29.1Very low32.5Very low81 Ų81128.2 Ų128.267%0.66978%0.78SS**  158.5132.911600000114.2
130T31.1Very low31.5Very low127 Ų127133.6 Ų133.678%0.77979%0.786SS**  trans57.2108.3139.158.60000121.8
131D29Very low30.9Very low146 Ų146129.7 Ų129.778%0.78178%0.782SS**  59.1128.7110.6-95.5-6.1000122.5
132E28.9Very low30.4Very low152 Ų152129.6 Ų129.671%0.7178%0.777SS**  trans112.4107.3139.8-56.5-98.9-179.700119.5
133T28.6Very low30.4Very low131 Ų131129.2 Ų129.280%0.80478%0.775SS**  trans69.2128.1137.5610000121.7
134G29.1Very low30.6Very low70 Ų70128.6 Ų128.672%0.72277%0.77SS**  trans150.166.2152.500000118.9
135V28.4Very low31.2Very low141 Ų141125.4 Ų125.486%0.85577%0.765SS**  trans31.1126.8144.8-760000122.5
136S31.2Very low31.5Very low118 Ų118123.5 Ų123.583%0.82576%0.764SS**  145.3132.2128.7-66.40000109.2
137A30.9Very low32.3Very low86 Ų86124.8 Ų124.871%0.71177%0.767SS**  cis-165.71452.200000107.4
138V33.3Very low32.4Very low135 Ų135128 Ų12882%0.81878%0.776SS**  trans46.7103.9147.9-169.30000116.9
139Q28Very low32.8Very low156 Ų156122.8 Ų122.873%0.72977%0.771SS**  70.1102.657.4-148.8168.5-14.600116.9
140F25.1Very low33.3Very low178 Ų178125.7 Ų125.778%0.78178%0.78SS**  trans80.4136.7143.6-80.9-129.4000121.5
141G29.6Very low33.3Very low71 Ų71128.2 Ų128.273%0.73279%0.788SS**  trans171.346.7169.900000117.1
142N35.6Very low33.5Very low135 Ų135125.6 Ų125.672%0.72279%0.787SS**  trans41.5118.4137.8-43.6-4.7000121.4
143S32.8Very low33.6Very low110 Ų110123.2 Ų123.277%0.76979%0.793SS**  53.3127.1126.7-68.60000123.5
144S37.5Very low33.7Very low101 Ų101125 Ų12571%0.70680%0.797SS**  trans87.1114.5133.1-610000119.9
145T42.8Very low33.8Very low133 Ų133125 Ų12582%0.81679%0.79SS**  trans34.9120.4130.258.10000119
146S38.9Very low34.1Very low118 Ų118126.9 Ų126.983%0.82579%0.79SS**  -175.2137.1119-1680000111.6
147V46.3Very low34Very low126 Ų126125.7 Ų125.776%0.76479%0.787SS**  trans-61.3148.2163-176.30000109.1
148L35.1Very low33.9Very low168 Ų168126.9 Ų126.988%0.8879%0.79SS**  trans99.768.3173.3-65.2159.5000119.2
149A37.7Very low34.1Very low95 Ų95124.9 Ų124.979%0.78579%0.788SS**  trans-177.5109.7140.900000110.3
150T40.3Very low34.8Very low143 Ų143123.3 Ų123.388%0.87779%0.791SS**  179.685123.4-57.30000106.7
151L30.6Very low35Very low179 Ų179122.5 Ų122.594%0.93779%0.794SS**  trans-92.4112166.3-164.696.8000106.4
152A32Very low34.9Very low91 Ų91124.7 Ų124.775%0.75280%0.798SS**  trans-168.3132.7158.800000111.4
153A31.7Very low34.5Very low102 Ų102125.8 Ų125.884%0.84380%0.804SS**  trans80.192.3170.500000116.7
154L31.4Very low34.2Very low169 Ų169126 Ų12689%0.88581%0.805SS**  -173.79994.8-163.658.9000110.3
155A31.3Very low33.8Very low71 Ų71125.3 Ų125.359%0.58780%0.8SS**  trans-62.2151.4146.800000107.4
156E33.2Very low33Very low179 Ų179127.4 Ų127.484%0.83680%0.801SS**  177.6138.651.9-149.5152.3136.200108
157A30Very low32.5Very low94 Ų94127.8 Ų127.878%0.77780%0.798SS**  trans156.481.1150.600000107.9
158S29.1Very low32.1Very low111 Ų111127 Ų12778%0.77680%0.796SS**  67.186.192.3-68.80000114.4
159A37Very low31.7Very low92 Ų92125 Ų12576%0.7679%0.791SS**  5.1175.5119.300000119.4
160P41.8Very low31.3Very low123 Ų123126.8 Ų126.880%0.79979%0.791SS**  cis-140.91735.233.6-10.4000117.3
161L30.4Very low31Very low162 Ų162123.8 Ų123.885%0.84878%0.781SS**  trans-75.2154.6164-62.4164.6000112.1
162S28.2Very low31.1Very low116 Ų116122.2 Ų122.281%0.81178%0.779SS**  trans-178.7113.1140.2-84.70000108.8
163N26.2Very low31Very low158 Ų158126.5 Ų126.585%0.84578%0.784SS**  85.5120.881.1-96.19.3000115.4
164S27.4Very low30.8Very low115 Ų115130 Ų13080%0.80478%0.782SS**  trans73118.6141.7-165.40000119.8
165S27.9Very low30.8Very low86 Ų86127.4 Ų127.460%0.60177%0.774SS**  176.6152.599.968.50000113.7
166E25.8Very low30.8Very low178 Ų178130.8 Ų130.883%0.83279%0.787SS**  trans73.9106.1142.8-74.4161.9132.300122.3
167T28.2Very low31Very low125 Ų125128.2 Ų128.277%0.76778%0.783SS**  trans-75.8167.2131.554.30000108.5
168P39.7Very low31.1Very low110 Ų110128.2 Ų128.271%0.71478%0.783SS**  cis-158.9-173.238.635.8-7.5000119.1
169V26.4Very low31.1Very low127 Ų127132.2 Ų132.277%0.7779%0.79SS**  trans78.6136.3149.4-132.30000123.9
170V28.5Very low31Very low131 Ų131133 Ų13379%0.79479%0.789SS**  trans106.6122.5144.1-172.20000118.2
171A35.2Very low30.9Very low81 Ų81133.3 Ų133.367%0.66979%0.789SS**  trans-78.1153.9171.300000113.1
172T31.5Very low31Very low146 Ų146133 Ų13390%0.89679%0.788SS**  trans-171149.213836.90000111.2
173E29.9Very low32Very low180 Ų180131.4 Ų131.484%0.84179%0.79SS**  trans-56.5154.3175.5-51.7-177127.600114.4
174E27.2Very low32.4Very low175 Ų175127.7 Ų127.782%0.81878%0.781SS**  163126.2107.8-108.6-161.9137.900112.6
175V31.6Very low33.1Very low116 Ų116130.2 Ų130.270%0.70378%0.784SS**  trans13.3123.4136.1-178.40000118.4
176V31.5Very low33.7Very low142 Ų142134.5 Ų134.586%0.86179%0.794SS**  -152.7129.2129.9176.60000110.2
177T37.5Very low34.6Very low125 Ų125133.4 Ų133.477%0.76779%0.789SS**  trans-77138.7171.146.30000113.2
178A31.7Very low35Very low93 Ų93133.1 Ų133.177%0.76979%0.787SS**  trans-162.1103.8152.400000107.4
179E29.6Very low35.2Very low195 Ų195133 Ų13391%0.91178%0.784SS**  55.4124.998-91.1-167.615500115.8
180S35.3Very low35.7Very low108 Ų108131.9 Ų131.976%0.75578%0.782SS**  trans85.998.4152.9-164.20000118.4
181V39.1Very low36.7Very low131 Ų131131.8 Ų131.879%0.79479%0.787SS**  41.497.8128.5-168.40000115.6
182D33.6Very low37.1Very low156 Ų156131 Ų13183%0.83479%0.787SS**  -158138.5118.1-1378.8000111.2A184D182-A184 PolarHBondContact O-N 3.21Å; D182-A184 VanDerWaalsContact O-N 3.08Å
183G47.8Very low37.9Very low82 Ų82128.1 Ų128.185%0.84579%0.786SS**  trans-70.1101.7178.200000110.4
184A35.9Very low38.5Very low79 Ų79126.9 Ų126.965%0.65378%0.78SS**  trans-128.9108.6163.900000108.4D182 Q186D182-A184 PolarHBondContact O-N 3.21Å; D182-A184 VanDerWaalsContact O-N 3.08Å; A184-Q186 PolarHBondContact O-N 2.83Å
185I41.8Very low39.2Very low169 Ų169126.6 Ų126.687%0.86778%0.779SS**  trans-55.1100.8167.2-61.5175.7000106.9Q187I185-Q187 PolarHBondContact O-N 3.12Å; I185-Q187 VanDerWaalsContact O-N 3.13Å
186Q39Very low39.7Very low176 Ų176126.7 Ų126.782%0.82278%0.779SS**  trans-85.690.9177.7-158.4148.181.200108.9A184 V188A184-Q186 PolarHBondContact O-N 2.83Å; Q186-V188 PolarHBondContact O-N 3.07Å
187Q45.6Very low40.3Very low155 Ų155125 Ų12572%0.72476%0.764SS**  trans-67.9100.6169.2-179.9176.14.500109.2I185 V189I185-Q187 PolarHBondContact O-N 3.12Å; I185-Q187 VanDerWaalsContact O-N 3.13Å; Q187-V189 HydrophobicContact CG-CG2 4.01Å
188V37.5Very low40.5Very low118 Ų118124.5 Ų124.572%0.71576%0.761SS**  trans-95103.3164.2174.20000107.9Q186Q186-V188 PolarHBondContact O-N 3.07Å
189V42.8Very low41Very low109 Ų109125.6 Ų125.666%0.66175%0.753SS**  trans-86.7109.9167.5166.50000107.6Q187Q187-V189 HydrophobicContact CG-CG2 4.01Å
190S37.6Very low41.5Very low103 Ų103122 Ų12272%0.7274%0.744SS**  trans-104.9126.1156.6-79.80000107.9G192S190-G192 PolarHBondContact O-N 2.94Å
191S48.9Very low41.8Very low128 Ų128122.1 Ų122.190%0.89574%0.74SS**SBendtrans-55.4102.5-174.7480000112.6
192G44.6Very low41.6Very low66 Ų66123 Ų12368%0.6874%0.741SS**SBendtrans166.552.2177.900000113.5S190 Q194S190-G192 PolarHBondContact O-N 2.94Å; G192-Q194 VanDerWaalsContact C-N 3.29Å; G192-Q194 PolarHBondContact O-N 2.79Å
193G47Very low42.3Very low84 Ų84119.4 Ų119.487%0.86674%0.74SS**SBendtrans64.2-8.8155.900000121.4
194Q42.3Very low41.9Very low154 Ų154122.9 Ų122.972%0.7274%0.738SS**  trans-124.4116.6-176.5-160.7150.23000112G192G192-Q194 VanDerWaalsContact C-N 3.29Å; G192-Q194 PolarHBondContact O-N 2.79Å
195Q42.4Very low41.9Very low170 Ų170128.1 Ų128.179%0.79475%0.749SS**  trans-86.5111.6174-64.1-175.511.200108.8
196V41.4Very low42.2Very low117 Ų117129.1 Ų129.171%0.70976%0.755SS**  trans-100116173.4-179.10000107.6
197I44Very low42.2Very low107 Ų107123.6 Ų123.655%0.54975%0.745SS.*  trans-105108.2176.6-55.4174.7000107.7I199I197-I199 HydrophobicContact CG2-CD1 4.37Å; I197-I199 HydrophobicContact CG2-CG1 3.8Å; I197-I199 PolarHBondContact O-N 2.71Å
198T41.8Very low42Very low114 Ų114123 Ų12370%0.69975%0.747SS**  trans-86.7106.7172.4-490000108.8V200T198-V200 HydrophobicContact CG2-CG2 4.3Å
199I42.9Very low41.9Very low116 Ų116125.1 Ų125.160%0.59575%0.753SS**  trans-98.5107.6172.4-47.2178.7000107.7I197 T201I197-I199 HydrophobicContact CG2-CD1 4.37Å; I197-I199 HydrophobicContact CG2-CG1 3.8Å; I197-I199 PolarHBondContact O-N 2.71Å; I199-T201 HydrophobicContact CG2-CG2 3.74Å; I199-T201 PolarHBondContact O-N 3.38Å
200V39.8Very low41.6Very low121 Ų121127 Ų12773%0.73375%0.754SS**  trans-86103.9169.9-178.70000107.2T198T198-V200 HydrophobicContact CG2-CG2 4.3Å
201T41.6Very low41.6Very low109 Ų109127.2 Ų127.267%0.66976%0.756SS**  trans-97.496.6173.359.20000109.6I199 G203I199-T201 HydrophobicContact CG2-CG2 3.74Å; I199-T201 PolarHBondContact O-N 3.38Å; T201-G203 PolarHBondContact O-N 2.98Å
202D35.7Very low41Very low151 Ų151127.3 Ų127.381%0.80775%0.745SS**  trans-76.1100.4161.2-102.3-17.9000108.6I204D202-I204 PolarHBondContact O-N 3.37Å
203G47.8Very low40.9Very low80 Ų80129.8 Ų129.883%0.82575%0.749SS**SBendtrans65.640.715100000119.2T201T201-G203 PolarHBondContact O-N 2.98Å
204I40.4Very low40.6Very low155 Ų155131.7 Ų131.780%0.79574%0.744SS**  trans-113.8124.4173-53176.3000110.8D202D202-I204 PolarHBondContact O-N 3.37Å
205Q34.4Very low40.5Very low189 Ų189130 Ų13088%0.88375%0.75SS**  trans-62.1133.3179.1-69.5174.423.700111.6G207Q205-G207 PolarHBondContact O-N 3.28Å
206L49.8Very low40.6Very low190 Ų190125.5 Ų125.5100%0.99575%0.749SS**  trans-60.3102.9171.9-77.9148.4000110.6
207G38.6Very low40.6Very low59 Ų59126.5 Ų126.561%0.60875%0.749SS**  trans-15299.9171.600000109.7Q205Q205-G207 PolarHBondContact O-N 3.28Å
208N40.3Very low40.4Very low144 Ų144125.6 Ų125.677%0.7777%0.766SS**  trans69.885166.4-54.6-13.4000116.8
209L35.7Very low40.5Very low162 Ų162127 Ų12785%0.84877%0.765SS**  trans-103.598.1145.2-112.2160.3000107.7
210H36.7Very low40.4Very low147 Ų147127.2 Ų127.268%0.68177%0.773SS**  trans-56.4141.4167-81.767.2000109.6I212H210-I212 PolarHBondContact O-N 2.99Å
211S37.6Very low40.7Very low109 Ų109128.2 Ų128.276%0.76277%0.773SS**  trans-17.3115.4166.357.20000115.6
212I37.2Very low41.1Very low129 Ų129128.6 Ų128.666%0.66277%0.77SS**  trans-99.7115.4154.4-56.7173.6000105.8H210 T214H210-I212 PolarHBondContact O-N 2.99Å; I212-T214 HydrophobicContact CG2-CG2 4.17Å; I212-T214 PolarHBondContact O-N 3.43Å
213P42.4Very low41.7Very low118 Ų118126.2 Ų126.277%0.76676%0.76SS**  trans-77.4112.4173.331.6-27.1000106.7
214T39.2Very low41.5Very low124 Ų124127 Ų12776%0.76175%0.749SS**  trans-128.1114.2164.840.40000109.2I212I212-T214 HydrophobicContact CG2-CG2 4.17Å; I212-T214 PolarHBondContact O-N 3.43Å
215S41.6Very low41.6Very low119 Ų119125.6 Ų125.683%0.83274%0.741SS**  trans-40.2148.6171.9-56.60000113.4
216G44.8Very low42Very low75 Ų75123.1 Ų123.177%0.77374%0.741SS**  trans-45.6131.1-164.900000116.3
217I40.8Very low41.9Very low139 Ų139120.1 Ų120.171%0.71373%0.726SS**  trans-153.4116.5143.3-80.6124.8000104.8Q219I217-Q219 VanDerWaalsContact C-N 3.32Å; I217-Q219 HydrophobicContact CG2-CB 4.09Å; I217-Q219 HydrophobicContact CG2-CG 3.66Å; I217-Q219 PolarHBondContact O-N 2.99Å
218G38.9Very low42.4Very low88 Ų88120.4 Ų120.491%0.90773%0.729SS**  trans-77.875.1176.200000111.9
219Q43.6Very low42.4Very low144 Ų144120.2 Ų120.267%0.67372%0.724SS**  trans-124.3131.1171.4-69.7-174.31.600110.9I217I217-Q219 VanDerWaalsContact C-N 3.32Å; I217-Q219 HydrophobicContact CG2-CB 4.09Å; I217-Q219 HydrophobicContact CG2-CG 3.66Å; I217-Q219 PolarHBondContact O-N 2.99Å
220P42.3Very low42.9Very low120 Ų120120.7 Ų120.778%0.77972%0.722SS**PPolyproline II helixtrans-74.8138.1-177.829.9-33.6000111.6
221I46Very low43.3Very low141 Ų141118.9 Ų118.972%0.72372%0.721SS**PPolyproline II helixtrans-89.8130.3172.5-58.6171.5000108.1V223I221-V223 HydrophobicContact CG2-CG2 4.43Å
222I48.5Very low43.5Very low117 Ų117121 Ų12160%0.672%0.723SS**PPolyproline II helixtrans-102.3125.8176.3-59.4174.2000108.6
223V48.5Very low43.7Very low101 Ų101121 Ų12161%0.61273%0.729SS**  trans-110.9128.4175.8-177.20000108.5I221I221-V223 HydrophobicContact CG2-CG2 4.43Å
224T44.8Very low43.5Very low96 Ų96120.6 Ų120.659%0.58972%0.724SS**  trans-111.3131.8-178-50.70000110.5
225M41Very low43.5Very low127 Ų127120.7 Ų120.763%0.62673%0.727SS**  trans-91.9159.2175.5-66.9-70.4-80.200111.5D227M225-D227 VanDerWaalsContact C-N 3.3Å; M225-D227 PolarHBondContact O-N 3.49Å
226P43.1Very low43.2Very low136 Ų136119 Ų11988%0.88372%0.72SS**THydrogen-bonded Turntrans-71.9-6-171-17.331.2000117
227D48.5Very low42.7Very low127 Ų127120.6 Ų120.668%0.67972%0.715SS**THydrogen-bonded Turntrans-100.52-17584.2-0.9000115.3M225 Q229M225-D227 VanDerWaalsContact C-N 3.3Å; M225-D227 PolarHBondContact O-N 3.49Å; D227-Q229 PolarHBondContact OD1-N 2.98Å
228G48.6Very low42.3Very low66 Ų66121.4 Ų121.468%0.6872%0.721SS**SBendtrans82.64.3177.100000115.9
229Q41.3Very low42.4Very low139 Ų139125 Ų12565%0.6572%0.717SS**  trans-87.3124.7164.3-89.2-174.4-6.600112.4D227D227-Q229 PolarHBondContact OD1-N 2.98Å
230Q45.3Very low41.7Very low172 Ų172122.5 Ų122.580%0.80472%0.722SS**  trans-87.5121.7170.8-62.1177.146.700108.7
231V44.7Very low41.8Very low109 Ų109126.1 Ų126.166%0.66173%0.728SS**  trans-118.9112.6173.5-177.70000109T233V231-T233 PolarHBondContact O-N 2.95Å
232L41.7Very low41.1Very low155 Ų155127.3 Ų127.381%0.81273%0.731SS**  trans-73.6105172.6-172.280000108.5V234L232-V234 HydrophobicContact CD2-CG2 4.09Å; L232-V234 HydrophobicContact CG-CG2 4.4Å; L232-V234 PolarHBondContact O-N 3.37Å; L232-V234 VanDerWaalsContact O-N 3.16Å
233T41.9Very low40.6Very low127 Ų127127.1 Ų127.178%0.77974%0.735SS**  trans-80.498.2172.857.10000109.5V231V231-T233 PolarHBondContact O-N 2.95Å
234V38.1Very low39.8Very low110 Ų110129.1 Ų129.167%0.66775%0.747SS**  trans-79125.5160-175.40000107.1L232 A236L232-V234 HydrophobicContact CD2-CG2 4.09Å; L232-V234 HydrophobicContact CG-CG2 4.4Å; L232-V234 PolarHBondContact O-N 3.37Å; L232-V234 VanDerWaalsContact O-N 3.16Å; V234-A236 PolarHBondContact O-N 3.07Å; V234-A236 VanDerWaalsContact O-N 3.16Å
235P38.7Very low39.5Very low127 Ų127131.1 Ų131.183%0.82575%0.752SS**  trans-71.5107.4166.627-28.7000109.3
236A35.7Very low39.3Very low83 Ų83129 Ų12969%0.68675%0.75SS**  trans-99.2139.815300000105.9V234V234-A236 PolarHBondContact O-N 3.07Å; V234-A236 VanDerWaalsContact O-N 3.16Å
237T35.5Very low39.5Very low108 Ų108131.7 Ų131.766%0.66375%0.751SS**  cis-162150.634.2-28.60000104I239T237-I239 HydrophobicContact CG2-CG1 4.38Å
238D31.7Very low39.3Very low157 Ų157129.8 Ų129.884%0.8474%0.738SS**  -163.9147.285.5-97.6-23.5000112.2
239I41.9Very low39Very low163 Ų163130.7 Ų130.784%0.83673%0.732SS**  trans-85.6112.3-171.6-38.2162.9000107.1T237T237-I239 HydrophobicContact CG2-CG1 4.38Å
240A27.1Very low39Very low92 Ų92129.9 Ų129.976%0.7674%0.739SS**  trans-139132152.600000106.9E242A240-E242 PolarHBondContact O-N 3Å; A240-E242 VanDerWaalsContact O-N 3.1Å
241E44.4Very low39Very low195 Ų195125.2 Ų125.291%0.91173%0.729SS**  trans-49.2111.3171.1-62.2174.3138.100110.1
242E31.6Very low39.2Very low167 Ų167125.5 Ų125.578%0.7872%0.722SS**  trans-166.7109.5156-122.7-178.9132.700111.1A240 V244A240-E242 PolarHBondContact O-N 3Å; A240-E242 VanDerWaalsContact O-N 3.1Å; E242-V244 PolarHBondContact O-N 3.32Å
243T39Very low39.2Very low113 Ų113121.9 Ų121.969%0.69370%0.698SS**  trans27.493.8138.761.60000117.3I245T243-I245 PolarHBondContact O-N 3.15Å
244V32.3Very low39.4Very low142 Ų142122.7 Ų122.786%0.86169%0.692SS**  trans-90.194.4162.8-179.40000109.1E242 S246E242-V244 PolarHBondContact O-N 3.32Å; V244-S246 PolarHBondContact O-N 2.88Å; V244-S246 VanDerWaalsContact O-N 3.12Å
245I37.8Very low39.4Very low138 Ų138119.5 Ų119.571%0.70868%0.675SS**  trans-54.5103.6152.5-64.2155.7000106.4T243T243-I245 PolarHBondContact O-N 3.15Å
246S35.8Very low39.7Very low83 Ų83117.1 Ų117.158%0.5865%0.654SS**  trans-61.8168.1158.6-156.10000107.3V244 R253V244-S246 PolarHBondContact O-N 2.88Å; V244-S246 VanDerWaalsContact O-N 3.12Å; S246-R253 PolarHBondContact O-NH1 2.83Å; S246-R253 PolarHBondContact O-NH2 3.32Å
247E47.5Very low39.8Very low193 Ų193119.4 Ų119.490%0.90265%0.65SS**  trans-121.1108.7170.8-135.7-153.817100107.6
248E45.6Very low40.5Very low87 Ų87118.7 Ų118.741%0.40764%0.642SS.*  trans-131.5140.6177.2-174.5-175.7174.100104K252E248-K252 WeakPolarHBondContact OE1-CD 3.36Å
249P41Very low41.3Very low84 Ų84112.6 Ų112.655%0.54561%0.609SS.*  trans-43.1132.1-169.412.4-31.6000112.8A251 K252P249-A251 PolarHBondContact O-N 2.8Å; P249-K252 PolarHBondContact O-N 3.27Å; P249-K252 VanDerWaalsContact O-N 3.13Å
250P40.9Very low41.5Very low122 Ų122110.8 Ų110.879%0.79260%0.597SS**THydrogen-bonded Turntrans-67.77.2-161.225-34.7000115.9
251A45.4Very low42.3Very low74 Ų74110.9 Ų110.961%0.61258%0.584SS**THydrogen-bonded Turntrans-91.9-23.2173.500000113.7P249P249-A251 PolarHBondContact O-N 2.8Å
252K50.5Low42.6Very low115 Ų115107 Ų10750%0.556%0.562SS.*Hα-helixtrans-85.3-23.1-175-70.9-172.9175.8-170.80114.2E248 P249 C255 I256E248-K252 WeakPolarHBondContact OE1-CD 3.36Å; P249-K252 PolarHBondContact O-N 3.27Å; P249-K252 VanDerWaalsContact O-N 3.13Å; K252-C255 PolarHBondContact O-N 3.3Å; K252-I256 WeakPolarHBondContact O-CG1 3.5Å; K252-I256 PolarHBondContact O-N 2.88Å
253R41.7Very low43.6Very low80 Ų80101.7 Ų101.730%0.30254%0.54SS..Hα-helixtrans-77.1-36.4179.1-66.7-161.1-179.5134.712.2114.9S246 C255 E257S246-R253 PolarHBondContact O-NH1 2.83Å; S246-R253 PolarHBondContact O-NH2 3.32Å; R253-C255 PolarHBondContact O-N 3.06Å; R253-E257 VanDerWaalsContact O-CB 3.26Å; R253-E257 WeakPolarHBondContact O-CB 3.27Å; R253-E257 PolarHBondContact O-N 3.48Å
254Q45.1Very low44.2Very low144 Ų144101.4 Ų101.467%0.67353%0.531SS*.Hα-helixtrans-65.8-25.7171.4-87.2-179.1-3.300111.7I258Q254-I258 WeakPolarHBondContact O-CB 3.5Å; Q254-I258 WeakPolarHBondContact O-CD1 3.42Å; Q254-I258 WeakPolarHBondContact O-CG1 3.45Å
255C38Very low45.4Very low43 Ų4397.5 Ų97.529%0.29151%0.51SS..Hα-helixtrans-83.5-43.6176.3-66.40000112.3K252 R253 I259K252-C255 PolarHBondContact O-N 3.3Å; R253-C255 PolarHBondContact O-N 3.06Å; C255-I259 WeakPolarHBondContact O-CB 3.49Å; C255-I259 WeakPolarHBondContact O-CD1 3.1Å; C255-I259 WeakPolarHBondContact O-CG1 3.41Å; C255-I259 PolarHBondContact O-N 3.46Å
256I45.1Very low46.5Very low77 Ų7793.5 Ų93.540%0.39550%0.498SS..Hα-helixtrans-71.8-43.7-177.5-64.8165.6000112K252 I258 I259 E260K252-I256 WeakPolarHBondContact O-CG1 3.5Å; K252-I256 PolarHBondContact O-N 2.88Å; I256-I258 VanDerWaalsContact C-N 3.29Å; I256-I258 PolarHBondContact O-N 3.48Å; I256-I259 PolarHBondContact O-N 2.7Å; I256-I259 VanDerWaalsContact O-N 3.09Å; I256-E260 PolarHBondContact O-N 2.89Å
257E38.1Very low48.1Very low130 Ų13095.5 Ų95.561%0.60750%0.498SS*.Hα-helixtrans-68.7-30.3178.3-163.4178.7-166.200111.3R253 N261R253-E257 VanDerWaalsContact O-CB 3.26Å; R253-E257 WeakPolarHBondContact O-CB 3.27Å; R253-E257 PolarHBondContact O-N 3.48Å; E257-N261 WeakPolarHBondContact CG-ND2 3.04Å; E257-N261 WeakPolarHBondContact O-CB 3.3Å; E257-N261 PolarHBondContact O-N 3.47Å; E257-N261 VanDerWaalsContact O-N 3.15Å; E257-N261 PolarHBondContact O-ND2 3.13Å
258I50Low49.2Very low94 Ų9490.6 Ų90.648%0.48248%0.477SS..Hα-helixtrans-76.2-27.1172.3-64.7176.3000111.3Q254 I256 R262Q254-I258 WeakPolarHBondContact O-CB 3.5Å; Q254-I258 WeakPolarHBondContact O-CD1 3.42Å; Q254-I258 WeakPolarHBondContact O-CG1 3.45Å; I256-I258 VanDerWaalsContact C-N 3.29Å; I256-I258 PolarHBondContact O-N 3.48Å; I258-R262 WeakPolarHBondContact O-CA 3.03Å; I258-R262 WeakPolarHBondContact O-CB 3.26Å; I258-R262 PolarHBondContact O-N 2.77Å
259I48.8Very low50.8Low28 Ų2893.3 Ų93.314%0.14449%0.489CS..Hα-helixtrans-78.2-49.2178.4-70.9159.4000111F60 K62 C255 I256 R262 V263F60-I259 HydrophobicContact CB-CD1 3.87Å; F60-I259 HydrophobicContact CB-CG1 4Å; F60-I259 HydrophobicContact CD1-CD1 4.41Å; F60-I259 HydrophobicContact CD1-CG1 3.59Å; F60-I259 HydrophobicContact CE1-CG1 4.38Å; F60-I259 HydrophobicContact CG-CD1 4.43Å; F60-I259 HydrophobicContact CG-CG1 4.07Å; K62-I259 HydrophobicContact CD-CD1 4.45Å; C255-I259 WeakPolarHBondContact O-CB 3.49Å; C255-I259 WeakPolarHBondContact O-CD1 3.1Å; C255-I259 WeakPolarHBondContact O-CG1 3.41Å; C255-I259 PolarHBondContact O-N 3.46Å; I256-I259 PolarHBondContact O-N 2.7Å; I256-I259 VanDerWaalsContact O-N 3.09Å; I259-R262 PolarHBondContact O-N 3.05Å; I259-V263 HydrophobicContact CG2-CG2 4.17Å; I259-V263 VanDerWaalsContact O-CB 3.3Å; I259-V263 WeakPolarHBondContact O-CB 3.42Å; I259-V263 WeakPolarHBondContact O-CG2 3.48Å; I259-V263 PolarHBondContact O-N 3.24Å
260E45.7Very low52.9Low125 Ų12595.6 Ų95.658%0.58449%0.493SS*.Hα-helixtrans-62.6-49.3176.6-73.5-179.7162.700110.1I256 R262 E264I256-E260 PolarHBondContact O-N 2.89Å; E260-R262 VanDerWaalsContact C-N 3.29Å; E260-R262 PolarHBondContact O-N 2.87Å; E260-E264 WeakPolarHBondContact O-CB 3.28Å; E260-E264 VanDerWaalsContact O-CG 3.26Å; E260-E264 WeakPolarHBondContact O-CG 3.44Å; E260-E264 PolarHBondContact O-N 3.22Å
261N44.4Very low55.2Low94 Ų9499.1 Ų99.150%0.50349%0.49SS..Hα-helixtrans-65.5-28177.4-74.6-64.4000113.5E257 S265E257-N261 WeakPolarHBondContact CG-ND2 3.04Å; E257-N261 WeakPolarHBondContact O-CB 3.3Å; E257-N261 PolarHBondContact O-N 3.47Å; E257-N261 VanDerWaalsContact O-N 3.15Å; E257-N261 PolarHBondContact O-ND2 3.13Å; N261-S265 WeakPolarHBondContact O-CB 3.48Å; N261-S265 PolarHBondContact O-N 3.26Å; N261-S265 PolarHBondContact O-OG 3.21Å; N261-S265 VanDerWaalsContact O-OG 3.09Å
262R51.1Low57.3Low115 Ų115101.8 Ų101.843%0.43449%0.49SS..Hα-helixtrans-91.9-35.9-175-161.2177.1-164.6176.18.3113.9K59 I258 I259 E260 S265 A266K59-R262 VanDerWaalsContact CE-CZ 3.4Å; K59-R262 VanDerWaalsContact CE-NH1 3.27Å; I258-R262 WeakPolarHBondContact O-CA 3.03Å; I258-R262 WeakPolarHBondContact O-CB 3.26Å; I258-R262 PolarHBondContact O-N 2.77Å; I259-R262 PolarHBondContact O-N 3.05Å; E260-R262 VanDerWaalsContact C-N 3.29Å; E260-R262 PolarHBondContact O-N 2.87Å; R262-S265 WeakPolarHBondContact CA-OG 3Å; R262-S265 PolarHBondContact O-N 3.29Å; R262-S265 PolarHBondContact O-OG 3.3Å; R262-A266 WeakPolarHBondContact O-CB 3.46Å; R262-A266 PolarHBondContact O-N 2.86Å
263V51.8Low59.3Low54 Ų5499 Ų9933%0.32749%0.488SS..Hα-helixtrans-70.3-44.8170.6176.50000109F60 I259 S265 A266 E267F60-V263 HydrophobicContact CZ-CG2 4.39Å; I259-V263 HydrophobicContact CG2-CG2 4.17Å; I259-V263 VanDerWaalsContact O-CB 3.3Å; I259-V263 WeakPolarHBondContact O-CB 3.42Å; I259-V263 WeakPolarHBondContact O-CG2 3.48Å; I259-V263 PolarHBondContact O-N 3.24Å; V263-S265 VanDerWaalsContact C-N 3.34Å; V263-S265 PolarHBondContact O-N 3.32Å; V263-A266 PolarHBondContact O-N 3.35Å; V263-E267 HydrophobicContact CG1-CG 4.48Å; V263-E267 WeakPolarHBondContact O-CB 3.43Å; V263-E267 WeakPolarHBondContact O-CG 3.2Å; V263-E267 PolarHBondContact O-N 3.12Å
264E52.2Low61.9Low108 Ų108100 Ų10051%0.50550%0.5SS..Hα-helixtrans-59.5-44.6168.6-73.4-175.4150.900110.6E260 A266 E267 I268E260-E264 WeakPolarHBondContact O-CB 3.28Å; E260-E264 VanDerWaalsContact O-CG 3.26Å; E260-E264 WeakPolarHBondContact O-CG 3.44Å; E260-E264 PolarHBondContact O-N 3.22Å; E264-A266 VanDerWaalsContact C-N 3.31Å; E264-A266 PolarHBondContact O-N 3.47Å; E264-E267 PolarHBondContact O-N 3.34Å; E264-I268 HydrophobicContact CB-CD1 3.85Å; E264-I268 WeakPolarHBondContact O-CA 3.45Å; E264-I268 WeakPolarHBondContact O-CB 3.5Å; E264-I268 VanDerWaalsContact O-CD1 3.24Å; E264-I268 WeakPolarHBondContact O-CD1 3.46Å; E264-I268 WeakPolarHBondContact O-CG1 3.4Å; E264-I268 PolarHBondContact O-N 3.1Å
265S56.1Low64.2Low59 Ų5997.6 Ų97.641%0.41349%0.488SS..Hα-helixtrans-62.8-35-179.467.20000114N261 R262 V263 E269N261-S265 WeakPolarHBondContact O-CB 3.48Å; N261-S265 PolarHBondContact O-N 3.26Å; N261-S265 PolarHBondContact O-OG 3.21Å; N261-S265 VanDerWaalsContact O-OG 3.09Å; R262-S265 WeakPolarHBondContact CA-OG 3Å; R262-S265 PolarHBondContact O-N 3.29Å; R262-S265 PolarHBondContact O-OG 3.3Å; V263-S265 VanDerWaalsContact C-N 3.34Å; V263-S265 PolarHBondContact O-N 3.32Å; S265-E269 VanDerWaalsContact O-CB 3.3Å; S265-E269 WeakPolarHBondContact O-CB 3.48Å; S265-E269 PolarHBondContact O-N 2.92Å
266A61.7Low67Low55 Ų55103 Ų10346%0.45551%0.506SS..Hα-helixtrans-75.9-41.9179.300000111.6R262 V263 E264 E269 E270R262-A266 WeakPolarHBondContact O-CB 3.46Å; R262-A266 PolarHBondContact O-N 2.86Å; V263-A266 PolarHBondContact O-N 3.35Å; E264-A266 VanDerWaalsContact C-N 3.31Å; E264-A266 PolarHBondContact O-N 3.47Å; A266-E269 PolarHBondContact O-N 3.33Å; A266-E270 PolarHBondContact O-N 2.84Å
267E68.5Low69.4Low124 Ų124105.9 Ų105.958%0.57952%0.518SS*.Hα-helixtrans-71.3-32.6175.5-68.1-178.9177.100112.2V263 E264 R271V263-E267 HydrophobicContact CG1-CG 4.48Å; V263-E267 WeakPolarHBondContact O-CB 3.43Å; V263-E267 WeakPolarHBondContact O-CG 3.2Å; V263-E267 PolarHBondContact O-N 3.12Å; E264-E267 PolarHBondContact O-N 3.34Å; E267-R271 WeakPolarHBondContact O-CB 3.49Å; E267-R271 PolarHBondContact O-N 3.09Å
268I72.1Confident72.2Confident90 Ų90104 Ų10446%0.46251%0.512SS..Hα-helixtrans-65.2-44171-71.5164.1000109.6E264 R271 E272E264-I268 HydrophobicContact CB-CD1 3.85Å; E264-I268 WeakPolarHBondContact O-CA 3.45Å; E264-I268 WeakPolarHBondContact O-CB 3.5Å; E264-I268 VanDerWaalsContact O-CD1 3.24Å; E264-I268 WeakPolarHBondContact O-CD1 3.46Å; E264-I268 WeakPolarHBondContact O-CG1 3.4Å; E264-I268 PolarHBondContact O-N 3.1Å; I268-R271 PolarHBondContact O-N 2.91Å; I268-E272 WeakPolarHBondContact O-CB 3.08Å; I268-E272 PolarHBondContact O-N 3.36Å
269E78.6Confident74.4Confident144 Ų144103.6 Ų103.667%0.67351%0.511SS*.Hα-helixtrans-65.1-41.9179-169.1172.7-162.200111.5S265 A266 E272 A273S265-E269 VanDerWaalsContact O-CB 3.3Å; S265-E269 WeakPolarHBondContact O-CB 3.48Å; S265-E269 PolarHBondContact O-N 2.92Å; A266-E269 PolarHBondContact O-N 3.33Å; E269-E272 PolarHBondContact O-N 3.43Å; E269-A273 WeakPolarHBondContact O-CB 3.34Å; E269-A273 PolarHBondContact O-N 3.3Å
270E85.8Confident76.7Confident133 Ų133106.1 Ų106.162%0.62152%0.522SS*.Hα-helixtrans-66.1-44.6174.2-173.1175.5179.100112A266 E272 A273 L274A266-E270 PolarHBondContact O-N 2.84Å; E270-E272 VanDerWaalsContact C-N 3.34Å; E270-E272 PolarHBondContact O-N 2.83Å; E270-A273 PolarHBondContact O-N 3.44Å; E270-L274 HydrophobicContact CG-CD1 4.34Å; E270-L274 WeakPolarHBondContact O-CB 3.24Å; E270-L274 WeakPolarHBondContact O-CG 2.95Å; E270-L274 PolarHBondContact O-N 3.03Å
271R87.6Confident79.1Confident196 Ų196102.6 Ų102.674%0.7451%0.514SS*.Hα-helixtrans-63.8-38.8176.7-174.8-179.4178.5-159.6-0.1111.9E267 I268 L274 Q275E267-R271 WeakPolarHBondContact O-CB 3.49Å; E267-R271 PolarHBondContact O-N 3.09Å; I268-R271 PolarHBondContact O-N 2.91Å; R271-L274 PolarHBondContact O-N 3.08Å; R271-Q275 VanDerWaalsContact O-CB 3.27Å; R271-Q275 WeakPolarHBondContact O-CB 3.3Å; R271-Q275 PolarHBondContact O-N 2.92Å
272E90.3Very high81.7Confident130 Ų130102 Ų10261%0.60751%0.511SS*.Hα-helixtrans-68.4-40176.4-171.1179177.300110.9I268 E269 E270 Q275 K276I268-E272 WeakPolarHBondContact O-CB 3.08Å; I268-E272 PolarHBondContact O-N 3.36Å; E269-E272 PolarHBondContact O-N 3.43Å; E270-E272 VanDerWaalsContact C-N 3.34Å; E270-E272 PolarHBondContact O-N 2.83Å; E272-Q275 PolarHBondContact O-N 3.21Å; E272-K276 VanDerWaalsContact O-CB 3.24Å; E272-K276 WeakPolarHBondContact O-CB 3.21Å; E272-K276 PolarHBondContact O-N 3.48Å
273A93.6Very high83.9Confident56 Ų56102 Ų10246%0.46351%0.511SS..Hα-helixtrans-62.1-45.2173.500000111.7E269 E270 K276 Q277E269-A273 WeakPolarHBondContact O-CB 3.34Å; E269-A273 PolarHBondContact O-N 3.3Å; E270-A273 PolarHBondContact O-N 3.44Å; A273-K276 PolarHBondContact O-N 2.96Å; A273-Q277 WeakPolarHBondContact O-CB 3.04Å; A273-Q277 PolarHBondContact O-N 3.48Å
274L94.9Very high86Confident102 Ų102103.3 Ų103.353%0.53451%0.514SS..Hα-helixtrans-63.7-42.6175.4-74.3171.4000112E270 R271 Q277 L278E270-L274 HydrophobicContact CG-CD1 4.34Å; E270-L274 WeakPolarHBondContact O-CB 3.24Å; E270-L274 WeakPolarHBondContact O-CG 2.95Å; E270-L274 PolarHBondContact O-N 3.03Å; R271-L274 PolarHBondContact O-N 3.08Å; L274-Q277 PolarHBondContact O-N 3.37Å; L274-L278 WeakPolarHBondContact O-CB 3.38Å; L274-L278 PolarHBondContact O-N 3.34Å
275Q93.9Very high88.2Confident92 Ų92100.8 Ų100.843%0.4351%0.511SS..Hα-helixtrans-62.1-44.8176.2-17758.652.300111.1R271 E272 Q277 L278 D279R271-Q275 VanDerWaalsContact O-CB 3.27Å; R271-Q275 WeakPolarHBondContact O-CB 3.3Å; R271-Q275 PolarHBondContact O-N 2.92Å; E272-Q275 PolarHBondContact O-N 3.21Å; Q275-Q277 VanDerWaalsContact C-N 3.31Å; Q275-Q277 PolarHBondContact O-N 2.97Å; Q275-L278 WeakPolarHBondContact O-CB 3.32Å; Q275-L278 PolarHBondContact O-N 3.25Å; Q275-D279 PolarHBondContact NE2-OD1 3.45Å; Q275-D279 VanDerWaalsContact NE2-OD1 3.15Å; Q275-D279 PolarHBondContact NE2-OD2 3.24Å; Q275-D279 VanDerWaalsContact O-CG 3.3Å; Q275-D279 PolarHBondContact O-N 2.83Å
276K96Very high90.2Very high156 Ų156103.8 Ų103.868%0.67852%0.519SS*.Hα-helixtrans-62.3-39.1175.7-174.4177.3-177.8177.80112E272 A273 D279 E280E272-K276 VanDerWaalsContact O-CB 3.24Å; E272-K276 WeakPolarHBondContact O-CB 3.21Å; E272-K276 PolarHBondContact O-N 3.48Å; A273-K276 PolarHBondContact O-N 2.96Å; K276-D279 PolarHBondContact O-N 3.2Å; K276-E280 WeakPolarHBondContact O-CB 3.49Å; K276-E280 PolarHBondContact O-N 3.21Å
277Q96.6Very high91.9Very high138 Ų138105.9 Ų105.965%0.64552%0.518SS*.Hα-helixtrans-66.5-40.3175.2-174.3174.9-19.200111.6A273 L274 Q275 E280 A281A273-Q277 WeakPolarHBondContact O-CB 3.04Å; A273-Q277 PolarHBondContact O-N 3.48Å; L274-Q277 PolarHBondContact O-N 3.37Å; Q275-Q277 VanDerWaalsContact C-N 3.31Å; Q275-Q277 PolarHBondContact O-N 2.97Å; Q277-E280 PolarHBondContact O-N 3.49Å; Q277-A281 WeakPolarHBondContact O-CB 3.21Å; Q277-A281 PolarHBondContact O-N 3.49Å
278L96.5Very high93.3Very high90 Ų90106.4 Ų106.447%0.47152%0.515SS..Hα-helixtrans-62.9-44.5174.8-178.763.5000111.4L274 Q275 A281 N282L274-L278 WeakPolarHBondContact O-CB 3.38Å; L274-L278 PolarHBondContact O-N 3.34Å; Q275-L278 WeakPolarHBondContact O-CB 3.32Å; Q275-L278 PolarHBondContact O-N 3.25Å; L278-A281 PolarHBondContact O-N 3.3Å; L278-N282 WeakPolarHBondContact O-CB 3.24Å; L278-N282 VanDerWaalsContact O-CG 3.26Å; L278-N282 PolarHBondContact O-N 3.06Å; L278-N282 PolarHBondContact O-ND2 2.97Å
279D96.6Very high94.5Very high86 Ų86111.6 Ų111.646%0.4653%0.529SS..Hα-helixtrans-65.8-39.7178.6-69.4-28.3000111.9Q275 K276 N282 R283Q275-D279 PolarHBondContact NE2-OD1 3.45Å; Q275-D279 VanDerWaalsContact NE2-OD1 3.15Å; Q275-D279 PolarHBondContact NE2-OD2 3.24Å; Q275-D279 VanDerWaalsContact O-CG 3.3Å; Q275-D279 PolarHBondContact O-N 2.83Å; K276-D279 PolarHBondContact O-N 3.2Å; D279-N282 PolarHBondContact O-N 3.38Å; D279-R283 WeakPolarHBondContact O-CB 3.47Å; D279-R283 PolarHBondContact O-N 3.29Å
280E96.6Very high95.4Very high81 Ų81110.5 Ų110.538%0.37952%0.524SS..Hα-helixtrans-65.2-45174.4-179.152.2-136.600111.7K276 Q277 N282 R283 E284K276-E280 WeakPolarHBondContact O-CB 3.49Å; K276-E280 PolarHBondContact O-N 3.21Å; Q277-E280 PolarHBondContact O-N 3.49Å; E280-N282 VanDerWaalsContact C-N 3.33Å; E280-N282 PolarHBondContact O-N 2.93Å; E280-R283 WeakPolarHBondContact O-CB 3.34Å; E280-R283 PolarHBondContact O-N 3.48Å; E280-R283 IonicContact OE1-CZ 3.38Å; E280-R283 IonicContact OE1-NE 3.68Å; E280-R283 PolarHBondContact OE1-NE 3.07Å; E280-R283 IonicContact OE1-NH2 2.56Å; E280-R283 PolarHBondContact OE1-NH2 3.15Å; E280-R283 IonicContact OE2-CZ 3.75Å; E280-R283 IonicContact OE2-NE 2.68Å; E280-R283 PolarHBondContact OE2-NE 3.3Å; E280-R283 IonicContact OE2-NH2 2.88Å; E280-R283 PolarHBondContact OE2-NH2 2.95Å; E280-E284 PolarHBondContact O-N 3.48Å
281A97Very high96Very high51 Ų51109.6 Ų109.642%0.42152%0.52SS..Hα-helixtrans-61-42174.900000111.8Q277 L278 E284 A285Q277-A281 WeakPolarHBondContact O-CB 3.21Å; Q277-A281 PolarHBondContact O-N 3.49Å; L278-A281 PolarHBondContact O-N 3.3Å; A281-E284 PolarHBondContact O-N 3.05Å; A281-A285 WeakPolarHBondContact O-CB 3.49Å; A281-A285 PolarHBondContact O-N 3.47Å
282N97.4Very high96.5Very high81 Ų81106.2 Ų106.243%0.43352%0.516SS..Hα-helixtrans-62.8-42.3175.1-78.4-32000111.9L278 D279 E280 A285 Q286L278-N282 WeakPolarHBondContact O-CB 3.24Å; L278-N282 VanDerWaalsContact O-CG 3.26Å; L278-N282 PolarHBondContact O-N 3.06Å; L278-N282 PolarHBondContact O-ND2 2.97Å; D279-N282 PolarHBondContact O-N 3.38Å; E280-N282 VanDerWaalsContact C-N 3.33Å; E280-N282 PolarHBondContact O-N 2.93Å; N282-A285 PolarHBondContact O-N 3.25Å; N282-Q286 WeakPolarHBondContact O-CG 3.49Å; N282-Q286 PolarHBondContact O-N 3.29Å
283R97.3Very high96.9Very high115 Ų115104.2 Ų104.243%0.43451%0.509SS..Hα-helixtrans-62.7-41.9175.5-173.1-174.273.298.9-2.2111.6D279 E280 Q286 K287D279-R283 WeakPolarHBondContact O-CB 3.47Å; D279-R283 PolarHBondContact O-N 3.29Å; E280-R283 WeakPolarHBondContact O-CB 3.34Å; E280-R283 PolarHBondContact O-N 3.48Å; E280-R283 IonicContact OE1-CZ 3.38Å; E280-R283 IonicContact OE1-NE 3.68Å; E280-R283 PolarHBondContact OE1-NE 3.07Å; E280-R283 IonicContact OE1-NH2 2.56Å; E280-R283 PolarHBondContact OE1-NH2 3.15Å; E280-R283 IonicContact OE2-CZ 3.75Å; E280-R283 IonicContact OE2-NE 2.68Å; E280-R283 PolarHBondContact OE2-NE 3.3Å; E280-R283 IonicContact OE2-NH2 2.88Å; E280-R283 PolarHBondContact OE2-NH2 2.95Å; R283-Q286 PolarHBondContact O-N 3.16Å; R283-K287 VanDerWaalsContact NH1-CE 3.31Å; R283-K287 PolarHBondContact O-N 3.16Å
284E97.5Very high97.1Very high82 Ų82108.3 Ų108.338%0.38352%0.516SS..Hα-helixtrans-67.4-43.7177-158-174.9162.800111.7E280 A281 Q286 K287 Y288E280-E284 PolarHBondContact O-N 3.48Å; A281-E284 PolarHBondContact O-N 3.05Å; E284-Q286 VanDerWaalsContact C-N 3.26Å; E284-Q286 PolarHBondContact O-N 3.05Å; E284-K287 WeakPolarHBondContact O-CB 3.42Å; E284-K287 PolarHBondContact O-N 2.66Å; E284-Y288 HydrophobicContact CG-CD2 4.17Å; E284-Y288 HydrophobicContact CG-CE2 3.61Å; E284-Y288 VanDerWaalsContact O-CD2 3.31Å; E284-Y288 WeakPolarHBondContact O-CD2 3.38Å; E284-Y288 PolarHBondContact O-N 3.1Å; E284-Y288 VanDerWaalsContact OE1-CE2 3.23Å; E284-Y288 WeakPolarHBondContact OE1-CE2 3.32Å; E284-Y288 PolarHBondContact OE1-OH 3.39Å
285A97.6Very high97.2Very high55 Ų55109.1 Ų109.146%0.45552%0.515SS..Hα-helixtrans-57.3-39.6174.500000112.1A281 N282 Y288 R289A281-A285 WeakPolarHBondContact O-CB 3.49Å; A281-A285 PolarHBondContact O-N 3.47Å; N282-A285 PolarHBondContact O-N 3.25Å; A285-Y288 PolarHBondContact O-N 2.79Å; A285-R289 WeakPolarHBondContact O-CB 3.37Å; A285-R289 PolarHBondContact O-N 2.92Å
286Q97.6Very high97.4Very high122 Ų122110.7 Ų110.757%0.5752%0.523SS*.Hα-helixtrans-63.5-39.3173.8-73.3176.87.600112.6N282 R283 E284 R289 Q290N282-Q286 WeakPolarHBondContact O-CG 3.49Å; N282-Q286 PolarHBondContact O-N 3.29Å; R283-Q286 PolarHBondContact O-N 3.16Å; E284-Q286 VanDerWaalsContact C-N 3.26Å; E284-Q286 PolarHBondContact O-N 3.05Å; Q286-R289 WeakPolarHBondContact O-CB 3.43Å; Q286-R289 PolarHBondContact O-N 3.24Å; Q286-Q290 WeakPolarHBondContact O-CG 3.46Å; Q286-Q290 PolarHBondContact O-N 3.15Å
287K97.9Very high97.5Very high99 Ų99108.8 Ų108.843%0.4352%0.516SS..Hα-helixtrans-62-46.1174.8-67.7174.8-172.7168.70111.2R283 E284 R289 Q290 Q291R283-K287 VanDerWaalsContact NH1-CE 3.31Å; R283-K287 PolarHBondContact O-N 3.16Å; E284-K287 WeakPolarHBondContact O-CB 3.42Å; E284-K287 PolarHBondContact O-N 2.66Å; K287-R289 VanDerWaalsContact C-N 3.31Å; K287-R289 PolarHBondContact O-N 3.26Å; K287-Q290 PolarHBondContact O-N 2.89Å; K287-Q291 PolarHBondContact O-N 2.91Å
288Y97.9Very high97.5Very high135 Ų135106 Ų10653%0.52950%0.503SS..Hα-helixtrans-61.7-40.9176.4-72-59.6000111.7E284 A285 Q290 Q291 L292E284-Y288 HydrophobicContact CG-CD2 4.17Å; E284-Y288 HydrophobicContact CG-CE2 3.61Å; E284-Y288 VanDerWaalsContact O-CD2 3.31Å; E284-Y288 WeakPolarHBondContact O-CD2 3.38Å; E284-Y288 PolarHBondContact O-N 3.1Å; E284-Y288 VanDerWaalsContact OE1-CE2 3.23Å; E284-Y288 WeakPolarHBondContact OE1-CE2 3.32Å; E284-Y288 PolarHBondContact OE1-OH 3.39Å; A285-Y288 PolarHBondContact O-N 2.79Å; Y288-Q290 VanDerWaalsContact C-N 3.31Å; Y288-Q290 PolarHBondContact O-N 3.09Å; Y288-Q291 PolarHBondContact O-N 2.95Å; Y288-L292 WeakPolarHBondContact O-CB 3.14Å; Y288-L292 PolarHBondContact O-N 3.03Å
289R97.7Very high97.6Very high199 Ų199104.6 Ų104.675%0.75150%0.504SS*.Hα-helixtrans-58.4-43.1174.5-174176.1179.6146.10.8111.9A285 Q286 K287 L292 L293A285-R289 WeakPolarHBondContact O-CB 3.37Å; A285-R289 PolarHBondContact O-N 2.92Å; Q286-R289 WeakPolarHBondContact O-CB 3.43Å; Q286-R289 PolarHBondContact O-N 3.24Å; K287-R289 VanDerWaalsContact C-N 3.31Å; K287-R289 PolarHBondContact O-N 3.26Å; R289-L292 PolarHBondContact O-N 3.45Å; R289-L293 WeakPolarHBondContact O-CB 3.43Å; R289-L293 PolarHBondContact O-N 2.77Å
290Q97.9Very high97.6Very high121 Ų121104.2 Ų104.257%0.56550%0.5SS*.Hα-helixtrans-67.1-39.5176-69.1177.925.500112.3Q286 K287 Y288 L293 K294Q286-Q290 WeakPolarHBondContact O-CG 3.46Å; Q286-Q290 PolarHBondContact O-N 3.15Å; K287-Q290 PolarHBondContact O-N 2.89Å; Y288-Q290 VanDerWaalsContact C-N 3.31Å; Y288-Q290 PolarHBondContact O-N 3.09Å; Q290-L293 PolarHBondContact O-N 3.13Å; Q290-K294 WeakPolarHBondContact O-CG 3.5Å; Q290-K294 PolarHBondContact O-N 3.07Å
291Q97.7Very high97.7Very high115 Ų115102.9 Ų102.954%0.53750%0.503SS..Hα-helixtrans-64.9-41.9177.3-171.4176.211.100111.4K287 Y288 K294 K295K287-Q291 PolarHBondContact O-N 2.91Å; Y288-Q291 PolarHBondContact O-N 2.95Å; Q291-K294 PolarHBondContact O-N 3.26Å; Q291-K295 WeakPolarHBondContact O-CG 2.83Å; Q291-K295 PolarHBondContact O-N 3.03Å
292L98.1Very high97.7Very high124 Ų124106.8 Ų106.865%0.64951%0.507SS*.Hα-helixtrans-60.5-48174.7-173.869.8000110.8Y288 R289 K294 K295 E296Y288-L292 WeakPolarHBondContact O-CB 3.14Å; Y288-L292 PolarHBondContact O-N 3.03Å; R289-L292 PolarHBondContact O-N 3.45Å; L292-K294 VanDerWaalsContact C-N 3.32Å; L292-K294 PolarHBondContact O-N 3.39Å; L292-K295 PolarHBondContact O-N 3.38Å; L292-K295 VanDerWaalsContact O-N 3.09Å; L292-E296 WeakPolarHBondContact O-CB 3.03Å; L292-E296 PolarHBondContact O-N 2.91Å
293L98Very high97.7Very high89 Ų89109.9 Ų109.947%0.46651%0.513SS..Hα-helixtrans-58.8-41.8177.4-168.8108000112.1R289 Q290 K295 E296 Q297R289-L293 WeakPolarHBondContact O-CB 3.43Å; R289-L293 PolarHBondContact O-N 2.77Å; Q290-L293 PolarHBondContact O-N 3.13Å; L293-K295 VanDerWaalsContact C-N 3.34Å; L293-K295 PolarHBondContact O-N 3.26Å; L293-E296 PolarHBondContact O-N 3.29Å; L293-Q297 WeakPolarHBondContact O-CG 3.37Å; L293-Q297 PolarHBondContact O-N 3.35Å
294K97.6Very high97.7Very high142 Ų142109.6 Ų109.662%0.61752%0.517SS*.Hα-helixtrans-62.5-41.7174.9-77.2-178.9179.2179.20112Q290 Q291 L292 E296 Q297 E298Q290-K294 WeakPolarHBondContact O-CG 3.5Å; Q290-K294 PolarHBondContact O-N 3.07Å; Q291-K294 PolarHBondContact O-N 3.26Å; L292-K294 VanDerWaalsContact C-N 3.32Å; L292-K294 PolarHBondContact O-N 3.39Å; K294-E296 VanDerWaalsContact C-N 3.34Å; K294-Q297 PolarHBondContact O-N 2.92Å; K294-E298 WeakPolarHBondContact O-CB 3.01Å; K294-E298 PolarHBondContact O-N 3.29Å
295K97.9Very high97.7Very high119 Ų119112.5 Ų112.552%0.51753%0.528SS..Hα-helixtrans-67.7-35.8177.6-75.3-72.9166.1-160.80112.2Q291 L292 L293 E298 A299Q291-K295 WeakPolarHBondContact O-CG 2.83Å; Q291-K295 PolarHBondContact O-N 3.03Å; L292-K295 PolarHBondContact O-N 3.38Å; L292-K295 VanDerWaalsContact O-N 3.09Å; L293-K295 VanDerWaalsContact C-N 3.34Å; L293-K295 PolarHBondContact O-N 3.26Å; K295-E298 IonicContact NZ-OE2 2.76Å; K295-E298 PolarHBondContact NZ-OE2 2.85Å; K295-E298 PolarHBondContact O-N 3.43Å; K295-A299 WeakPolarHBondContact O-CB 2.96Å; K295-A299 PolarHBondContact O-N 3.1Å
296E97.6Very high97.7Very high125 Ų125115.4 Ų115.458%0.58454%0.535SS*.Hα-helixtrans-64-46.7173.6-174.7174.2-16000111.5L292 L293 K294 E298 A299 E300L292-E296 WeakPolarHBondContact O-CB 3.03Å; L292-E296 PolarHBondContact O-N 2.91Å; L293-E296 PolarHBondContact O-N 3.29Å; K294-E296 VanDerWaalsContact C-N 3.34Å; E296-E298 VanDerWaalsContact C-N 3.35Å; E296-E298 PolarHBondContact O-N 3.01Å; E296-A299 PolarHBondContact O-N 3.43Å; E296-E300 WeakPolarHBondContact O-CB 3.49Å; E296-E300 PolarHBondContact O-N 2.63Å
297Q97.8Very high97.6Very high116 Ų116113.8 Ų113.854%0.54253%0.528SS..Hα-helixtrans-61.6-41.4174.9-72.5176.9-8.600112.5L293 K294 E300 A301L293-Q297 WeakPolarHBondContact O-CG 3.37Å; L293-Q297 PolarHBondContact O-N 3.35Å; K294-Q297 PolarHBondContact O-N 2.92Å; Q297-E300 PolarHBondContact O-N 3.29Å; Q297-A301 WeakPolarHBondContact O-CB 3.26Å; Q297-A301 PolarHBondContact O-N 2.99Å
298E97.8Very high97.5Very high80 Ų80111.4 Ų111.437%0.37453%0.527SS..Hα-helixtrans-61.6-47175.6-174.5-176.717900110.8K294 K295 E296 E300 A301 Y302K294-E298 WeakPolarHBondContact O-CB 3.01Å; K294-E298 PolarHBondContact O-N 3.29Å; K295-E298 IonicContact NZ-OE2 2.76Å; K295-E298 PolarHBondContact NZ-OE2 2.85Å; K295-E298 PolarHBondContact O-N 3.43Å; E296-E298 VanDerWaalsContact C-N 3.35Å; E296-E298 PolarHBondContact O-N 3.01Å; E298-E300 VanDerWaalsContact C-N 3.32Å; E298-E300 PolarHBondContact O-N 3.13Å; E298-A301 PolarHBondContact O-N 3.04Å; E298-Y302 HydrophobicContact CG-CD2 4.03Å; E298-Y302 HydrophobicContact CG-CE2 3.61Å; E298-Y302 WeakPolarHBondContact O-CD2 3.42Å; E298-Y302 PolarHBondContact O-N 3.41Å
299A97.9Very high97.3Very high59 Ų59110.7 Ų110.749%0.48853%0.529SS..Hα-helixtrans-61.8-39.7176.500000112.1K295 E296 Y302 R303K295-A299 WeakPolarHBondContact O-CB 2.96Å; K295-A299 PolarHBondContact O-N 3.1Å; E296-A299 PolarHBondContact O-N 3.43Å; A299-Y302 PolarHBondContact O-N 3.35Å; A299-R303 PolarHBondContact O-N 3.03Å
300E97.9Very high97.1Very high78 Ų78105.2 Ų105.236%0.36452%0.518SS..Hα-helixtrans-66.1-40.1176179.8161.1-142.500112.1E296 Q297 E298 Y302 R303 Q304E296-E300 WeakPolarHBondContact O-CB 3.49Å; E296-E300 PolarHBondContact O-N 2.63Å; Q297-E300 PolarHBondContact O-N 3.29Å; E298-E300 VanDerWaalsContact C-N 3.32Å; E298-E300 PolarHBondContact O-N 3.13Å; E300-Y302 VanDerWaalsContact C-N 3.33Å; E300-Y302 PolarHBondContact O-N 3.36Å; E300-R303 WeakPolarHBondContact O-CB 3.16Å; E300-R303 PolarHBondContact O-N 2.62Å; E300-R303 IonicContact OE1-CZ 3.84Å; E300-R303 IonicContact OE1-NH2 2.7Å; E300-R303 PolarHBondContact OE1-NH2 3.33Å; E300-Q304 WeakPolarHBondContact O-CG 3.17Å; E300-Q304 PolarHBondContact O-N 3.36Å
301A97.7Very high96.8Very high54 Ų54106.6 Ų106.645%0.44652%0.518SS..Hα-helixtrans-62-41.317400000111.6Q297 E298 Q304 K305Q297-A301 WeakPolarHBondContact O-CB 3.26Å; Q297-A301 PolarHBondContact O-N 2.99Å; E298-A301 PolarHBondContact O-N 3.04Å; A301-Q304 PolarHBondContact O-N 3.04Å; A301-K305 WeakPolarHBondContact O-CB 3.25Å; A301-K305 PolarHBondContact O-N 3Å
302Y97.6Very high96.4Very high132 Ų132107.2 Ų107.252%0.51853%0.525SS..Hα-helixtrans-62.1-43.6172.5-77.4-64.5000111.9E298 A299 E300 Q304 K305 L306E298-Y302 HydrophobicContact CG-CD2 4.03Å; E298-Y302 HydrophobicContact CG-CE2 3.61Å; E298-Y302 WeakPolarHBondContact O-CD2 3.42Å; E298-Y302 PolarHBondContact O-N 3.41Å; A299-Y302 PolarHBondContact O-N 3.35Å; E300-Y302 VanDerWaalsContact C-N 3.33Å; E300-Y302 PolarHBondContact O-N 3.36Å; Y302-Q304 PolarHBondContact O-N 3.26Å; Y302-K305 PolarHBondContact O-N 3.27Å; Y302-L306 WeakPolarHBondContact O-CB 3.48Å; Y302-L306 WeakPolarHBondContact O-CD1 3.46Å; Y302-L306 PolarHBondContact O-N 3.39Å
303R97.7Very high95.9Very high147 Ų147106.7 Ų106.756%0.55552%0.519SS*.Hα-helixtrans-58.2-47.4176.3-172.9-176.769.5-157.5-1.1111.6A299 E300 K305 L306 E307A299-R303 PolarHBondContact O-N 3.03Å; E300-R303 WeakPolarHBondContact O-CB 3.16Å; E300-R303 PolarHBondContact O-N 2.62Å; E300-R303 IonicContact OE1-CZ 3.84Å; E300-R303 IonicContact OE1-NH2 2.7Å; E300-R303 PolarHBondContact OE1-NH2 3.33Å; R303-K305 PolarHBondContact O-N 2.99Å; R303-L306 WeakPolarHBondContact O-CB 3.15Å; R303-L306 PolarHBondContact O-N 2.89Å; R303-E307 PolarHBondContact O-N 3.39Å
304Q97.4Very high95.3Very high109 Ų109105.9 Ų105.951%0.50952%0.518SS..Hα-helixtrans-63.7-40.3177.6-70.4178.213.500112E300 A301 Y302 E307 A308E300-Q304 WeakPolarHBondContact O-CG 3.17Å; E300-Q304 PolarHBondContact O-N 3.36Å; A301-Q304 PolarHBondContact O-N 3.04Å; Y302-Q304 PolarHBondContact O-N 3.26Å; Q304-E307 PolarHBondContact O-N 2.76Å; Q304-A308 WeakPolarHBondContact O-CB 3.45Å; Q304-A308 PolarHBondContact O-N 3.27Å
305K97.2Very high94.4Very high143 Ų143104.2 Ų104.262%0.62252%0.515SS*.Hα-helixtrans-64-41.8177-173.5175.7-179.2178.70112.1A301 Y302 R303 A308 M309A301-K305 WeakPolarHBondContact O-CB 3.25Å; A301-K305 PolarHBondContact O-N 3Å; Y302-K305 PolarHBondContact O-N 3.27Å; R303-K305 PolarHBondContact O-N 2.99Å; K305-A308 PolarHBondContact O-N 2.66Å; K305-M309 PolarHBondContact O-N 2.58Å; K305-M309 VanDerWaalsContact O-N 3.08Å
306L96.1Very high93.4Very high115 Ų115106.7 Ų106.760%0.60253%0.526SS*.Hα-helixtrans-60.6-48173.1-83152.7000110.8Y302 R303 A308 M309 T310Y302-L306 WeakPolarHBondContact O-CB 3.48Å; Y302-L306 WeakPolarHBondContact O-CD1 3.46Å; Y302-L306 PolarHBondContact O-N 3.39Å; R303-L306 WeakPolarHBondContact O-CB 3.15Å; R303-L306 PolarHBondContact O-N 2.89Å; L306-A308 PolarHBondContact O-N 2.66Å; L306-M309 PolarHBondContact O-N 3.34Å; L306-T310 PolarHBondContact O-N 3.47Å; L306-T310 PolarHBondContact O-OG1 3.16Å; L306-T310 VanDerWaalsContact O-OG1 3.09Å
307E96.3Very high92.3Very high88 Ų88107.6 Ų107.641%0.41153%0.53SS..Hα-helixtrans-61.4-42.3178.7-171.1-179.2177.300112.4R303 Q304 M309 T310 R311R303-E307 PolarHBondContact O-N 3.39Å; Q304-E307 PolarHBondContact O-N 2.76Å; E307-M309 VanDerWaalsContact C-N 3.34Å; E307-M309 PolarHBondContact O-N 3.13Å; E307-T310 PolarHBondContact O-N 3.1Å; E307-R311 WeakPolarHBondContact O-CG 3.48Å; E307-R311 PolarHBondContact O-N 3.29Å; E307-R311 IonicContact OE1-CZ 3.31Å; E307-R311 VanDerWaalsContact OE1-CZ 3.31Å; E307-R311 IonicContact OE1-NE 3.28Å; E307-R311 PolarHBondContact OE1-NE 3.04Å; E307-R311 IonicContact OE1-NH2 2.67Å; E307-R311 PolarHBondContact OE1-NH2 3.39Å
308A95Very high90.8Very high50 Ų50106.1 Ų106.141%0.41354%0.538SS..Hα-helixtrans-62.5-40.5176.500000112.1Q304 K305 L306 R311 L312Q304-A308 WeakPolarHBondContact O-CB 3.45Å; Q304-A308 PolarHBondContact O-N 3.27Å; K305-A308 PolarHBondContact O-N 2.66Å; L306-A308 PolarHBondContact O-N 2.66Å; A308-R311 PolarHBondContact O-N 2.84Å; A308-L312 WeakPolarHBondContact O-CG 3.13Å; A308-L312 PolarHBondContact O-N 3.47Å
309M93.7Very high88.7Confident119 Ų119111 Ų11159%0.58657%0.573SS**Hα-helixtrans-62.4-45.1175.6-170.7178.6-6600111.1K305 L306 E307 L312 Q313K305-M309 PolarHBondContact O-N 2.58Å; K305-M309 VanDerWaalsContact O-N 3.08Å; L306-M309 PolarHBondContact O-N 3.34Å; E307-M309 VanDerWaalsContact C-N 3.34Å; E307-M309 PolarHBondContact O-N 3.13Å; M309-L312 PolarHBondContact O-N 3.12Å; M309-Q313 PolarHBondContact O-N 3.32Å
310T94.2Very high88.2Confident84 Ų84113.7 Ų113.752%0.51558%0.578SS.*Hα-helixtrans-61.5-46175.9-53.40000111.5L306 E307 L312 Q313 T314L306-T310 PolarHBondContact O-N 3.47Å; L306-T310 PolarHBondContact O-OG1 3.16Å; L306-T310 VanDerWaalsContact O-OG1 3.09Å; E307-T310 PolarHBondContact O-N 3.1Å; T310-L312 VanDerWaalsContact C-N 3.34Å; T310-L312 PolarHBondContact O-N 3.22Å; T310-Q313 PolarHBondContact O-N 3.03Å; T310-Q313 VanDerWaalsContact O-N 3.14Å; T310-T314 WeakPolarHBondContact O-CG2 3.27Å; T310-T314 PolarHBondContact O-N 3.16Å; T310-T314 PolarHBondContact O-OG1 3.29Å
311R91.9Very high87.7Confident151 Ų151115.5 Ų115.557%0.5759%0.589SS**Hα-helixtrans-61.3-38.8177.8-73.7-179.6-175.7-167.82.4112.9E307 A308 Q313 T314 N315E307-R311 WeakPolarHBondContact O-CG 3.48Å; E307-R311 PolarHBondContact O-N 3.29Å; E307-R311 IonicContact OE1-CZ 3.31Å; E307-R311 VanDerWaalsContact OE1-CZ 3.31Å; E307-R311 IonicContact OE1-NE 3.28Å; E307-R311 PolarHBondContact OE1-NE 3.04Å; E307-R311 IonicContact OE1-NH2 2.67Å; E307-R311 PolarHBondContact OE1-NH2 3.39Å; A308-R311 PolarHBondContact O-N 2.84Å; R311-Q313 VanDerWaalsContact C-N 3.34Å; R311-T314 WeakPolarHBondContact CA-OG1 3.37Å; R311-T314 PolarHBondContact O-OG1 3.2Å; R311-N315 WeakPolarHBondContact O-CB 3.26Å; R311-N315 PolarHBondContact O-N 3.13Å; R311-N315 PolarHBondContact O-ND2 3.46Å; R311-N315 PolarHBondContact O-OD1 3.22Å
312L90.1Very high87.2Confident127 Ų127118.9 Ų118.967%0.66560%0.597SS**Hα-helixtrans-66.4-37.9175.1-73.9172.7000111.7A308 M309 T310 K316A308-L312 WeakPolarHBondContact O-CG 3.13Å; A308-L312 PolarHBondContact O-N 3.47Å; M309-L312 PolarHBondContact O-N 3.12Å; T310-L312 VanDerWaalsContact C-N 3.34Å; T310-L312 PolarHBondContact O-N 3.22Å; L312-K316 WeakPolarHBondContact O-CB 3.33Å; L312-K316 PolarHBondContact O-N 2.92Å
313Q87.1Confident86.5Confident114 Ų114118.2 Ų118.253%0.53360%0.602SS.*Hα-helixtrans-67.3-45.9177-172.1167.1-14.600111.8M309 T310 R311 N315 K316 E317M309-Q313 PolarHBondContact O-N 3.32Å; T310-Q313 PolarHBondContact O-N 3.03Å; T310-Q313 VanDerWaalsContact O-N 3.14Å; R311-Q313 VanDerWaalsContact C-N 3.34Å; Q313-N315 VanDerWaalsContact C-N 3.3Å; Q313-N315 PolarHBondContact O-N 3.19Å; Q313-K316 PolarHBondContact O-N 2.96Å; Q313-K316 VanDerWaalsContact O-N 3.15Å; Q313-E317 PolarHBondContact O-N 3.08Å; Q313-E317 VanDerWaalsContact O-N 3.08Å
314T84.9Confident85.9Confident72 Ų72116.4 Ų116.444%0.44260%0.604SS.*Hα-helixtrans-61.9-37.4175.955.80000112.3T310 R311 K316 E317 A318T310-T314 WeakPolarHBondContact O-CG2 3.27Å; T310-T314 PolarHBondContact O-N 3.16Å; T310-T314 PolarHBondContact O-OG1 3.29Å; R311-T314 WeakPolarHBondContact CA-OG1 3.37Å; R311-T314 PolarHBondContact O-OG1 3.2Å; T314-K316 VanDerWaalsContact C-N 3.34Å; T314-E317 PolarHBondContact O-N 3.42Å; T314-A318 WeakPolarHBondContact O-CB 3.42Å; T314-A318 PolarHBondContact O-N 3.06Å
315N79.4Confident85.1Confident106 Ų106116.9 Ų116.957%0.56761%0.611SS**Hα-helixtrans-71.6-28.9177.3-71.3-4.7000112.7R311 Q313R311-N315 WeakPolarHBondContact O-CB 3.26Å; R311-N315 PolarHBondContact O-N 3.13Å; R311-N315 PolarHBondContact O-ND2 3.46Å; R311-N315 PolarHBondContact O-OD1 3.22Å; Q313-N315 VanDerWaalsContact C-N 3.3Å; Q313-N315 PolarHBondContact O-N 3.19Å
316K76Confident84.2Confident172 Ų172115 Ų11575%0.74861%0.61SS**Hα-helixtrans-75.4-29.4175.3-171.2177.4178.2-177.20112.5L312 Q313 T314 A318L312-K316 WeakPolarHBondContact O-CB 3.33Å; L312-K316 PolarHBondContact O-N 2.92Å; Q313-K316 PolarHBondContact O-N 2.96Å; Q313-K316 VanDerWaalsContact O-N 3.15Å; T314-K316 VanDerWaalsContact C-N 3.34Å; K316-A318 VanDerWaalsContact C-N 3.32Å
317E74.4Confident83.3Confident143 Ų143115 Ų11567%0.66861%0.611SS**Hα-helixtrans-78.6-15.8174.7-70.2172.6-172.900112.9Q313 T314Q313-E317 PolarHBondContact O-N 3.08Å; Q313-E317 VanDerWaalsContact O-N 3.08Å; T314-E317 PolarHBondContact O-N 3.42Å
318A67Low82.2Confident86 Ų86117.3 Ų117.371%0.71163%0.627SS**THydrogen-bonded Turntrans-94.20.4-179.100000114.9T314 K316T314-A318 WeakPolarHBondContact O-CB 3.42Å; T314-A318 PolarHBondContact O-N 3.06Å; K316-A318 VanDerWaalsContact C-N 3.32Å
319V52.9Low81.1Confident183 Ų183123.4 Ų123.4100%1.10965%0.647SS**  trans-111.60175.8177.30000109.4

Retrieved 319 of 319 residues in 927.6 ms (Link to these results)

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