A0A087YKV4_POEFO Loading...

Gametogenetin-binding protein 2

May be involved in spermatogenesis.

AlphaFold DB , UniProt , Accession A0A087YKV4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 676 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
1M81.3Confident86.9Confident85 Ų8560.4 Ų60.442%0.41931%0.314SS..  0162.60-75.6176.556.100108.1L185 L319 R320 E323M1-L185 HydrophobicContact CB-CD1 3.64Å; M1-L185 HydrophobicContact CE-CD1 3.98Å; M1-L185 HydrophobicContact SD-CD1 4.44Å; M1-L319 HydrophobicContact CE-CD2 4.38Å; M1-R320 HydrophobicContact CE-CG 4.31Å; M1-E323 WeakPolarHBondContact CA-OE1 3.39Å; M1-E323 WeakPolarHBondContact CA-OE2 3.32Å; M1-E323 WeakPolarHBondContact CB-OE2 3.3Å; M1-E323 WeakPolarHBondContact CG-OE2 3.3Å
2A92.3Very high85.3Confident0 Ų063.4 Ų63.40%033%0.326CS..  trans-65.6154.1171.700000111.3M34 E35 F36 L185 L319 E323A2-M34 HydrophobicContact CB-CE 3.38Å; A2-M34 HydrophobicContact CB-CG 3.94Å; A2-E35 CarbonylContact C-O 3.33Å; A2-E35 WeakPolarHBondContact CA-O 3.49Å; A2-E35 WeakPolarHBondContact CB-O 3.17Å; A2-F36 HydrophobicContact CB-CD1 3.84Å; A2-F36 HydrophobicContact CB-CE1 3.93Å; A2-L185 WeakPolarHBondContact O-CD1 3.44Å; A2-L319 HydrophobicContact CB-CD1 4.33Å; A2-E323 HydrophobicContact CB-CG 4.5Å; A2-E323 PolarHBondContact N-OE1 3.27Å; A2-E323 VanDerWaalsContact N-OE1 3.17Å; A2-E323 PolarHBondContact N-OE2 3.48Å
3R95.1Very high83.7Confident118 Ų11873.1 Ų73.145%0.44537%0.369SS..EExtended strand (participates in β ladder)trans-105.7157.7178-63.2-178.171.4-1493.5110.9V5 M34 E35 L185R3-V5 HydrophobicContact CB-CG1 3.98Å; R3-M34 CarbonylContact O-C 3.5Å; R3-M34 WeakPolarHBondContact O-CA 3.43Å; R3-E35 PolarHBondContact N-O 2.87Å; R3-E35 PolarHBondContact O-N 2.95Å; R3-L185 WeakPolarHBondContact CA-O 2.99Å; R3-L185 WeakPolarHBondContact CB-O 3.38Å; R3-L185 HydrophobicContact CG-CD2 4.18Å
4L96.7Very high82.9Confident0 Ų079.4 Ų79.40%040%0.404CS..EExtended strand (participates in β ladder)trans-106.5112.7170-65.3167000107L24 M32 V33 M34 V182 L185 M186 S187 C190 I315 L319L4-L24 HydrophobicContact CD2-CD2 3.7Å; L4-M32 HydrophobicContact CD1-SD 3.93Å; L4-M32 HydrophobicContact CD2-CB 3.94Å; L4-M32 HydrophobicContact CD2-SD 4.22Å; L4-M32 HydrophobicContact CG-SD 4.47Å; L4-V33 WeakPolarHBondContact CA-O 3.24Å; L4-M34 HydrophobicContact CD2-CB 4.33Å; L4-V182 HydrophobicContact CD1-CG1 3.83Å; L4-L185 PolarHBondContact N-O 2.93Å; L4-M186 HydrophobicContact CB-CG 4.13Å; L4-M186 HydrophobicContact CD1-CE 4.09Å; L4-M186 HydrophobicContact CD1-CG 3.91Å; L4-M186 CarbonylContact O-C 3.58Å; L4-M186 WeakPolarHBondContact O-CA 3.49Å; L4-S187 PolarHBondContact O-N 2.95Å; L4-C190 HydrophobicContact CB-CB 4.31Å; L4-I315 HydrophobicContact CD1-CG2 3.55Å; L4-L319 HydrophobicContact CD1-CD1 4.36Å; L4-L319 HydrophobicContact CD2-CD1 3.81Å; L4-L319 HydrophobicContact CG-CD1 3.93Å
5V96.1Very high83Confident31 Ų3177.8 Ų77.819%0.18839%0.392CS..EExtended strand (participates in β ladder)trans-109.7-29.5-162.5-64.90000114.6R3 V33 E35 S187R3-V5 HydrophobicContact CB-CG1 3.98Å; V5-V33 HydrophobicContact CG2-CB 3.93Å; V5-V33 HydrophobicContact CG2-CG1 3.67Å; V5-V33 PolarHBondContact N-O 3.2Å; V5-E35 HydrophobicContact CG1-CB 3.78Å; V5-E35 HydrophobicContact CG1-CG 4.43Å; V5-E35 HydrophobicContact CG2-CB 4.11Å; V5-S187 VanDerWaalsContact C-OG 3.3Å; V5-S187 WeakPolarHBondContact O-CB 3.46Å; V5-S187 PolarHBondContact O-OG 2.84Å
6A95.1Very high83.3Confident13 Ų1379.1 Ų79.111%0.10741%0.407CS..EExtended strand (participates in β ladder)trans-153172.917800000110.7Y15 V33 E189 C190A6-Y15 WeakPolarHBondContact CB-OH 3.24Å; A6-V33 HydrophobicContact CB-CB 4.17Å; A6-V33 HydrophobicContact CB-CG2 3.93Å; A6-V33 PolarHBondContact O-N 3.31Å; A6-E189 WeakPolarHBondContact CA-OE2 3.34Å; A6-C190 VanDerWaalsContact C-SG 3.56Å; A6-C190 PolarHBondContact N-SG 3.42Å; A6-C190 VanDerWaalsContact N-SG 3.44Å; A6-C190 PolarHBondContact O-SG 2.84Å
7V94.1Very high83.7Confident11 Ų1177.2 Ų77.27%0.06740%0.395CS..EExtended strand (participates in β ladder)trans-113.1133.3174.1178.50000109.6L30 E189 E193V7-L30 HydrophobicContact CG1-CD1 4.07Å; V7-E189 HydrophobicContact CB-CG 4.44Å; V7-E189 HydrophobicContact CG2-CG 4.13Å; V7-E189 PolarHBondContact N-OE2 2.97Å; V7-E193 HydrophobicContact CG1-CG 4.15Å; V7-E193 HydrophobicContact CG2-CB 3.91Å; V7-E193 HydrophobicContact CG2-CG 4.03Å
8C90.8Very high84.1Confident19 Ų1979 Ų7913%0.12841%0.405CS..EExtended strand (participates in β ladder)trans-87.3122.4171.1-56.50000108.5T31 V33C8-T31 HydrophobicContact CB-CG2 4.02Å; C8-T31 PolarHBondContact N-O 3.32Å; C8-V33 VanDerWaalsContact SG-CG2 3.54Å
9R82.8Confident84.5Confident149 Ų14977.3 Ų77.356%0.56240%0.404SS*.PPolyproline II helixtrans-92.5151.4-174.2-55.3177.3-173.7-142.1-1.1111G11 E12 E189R9-G11 PolarHBondContact O-N 3.18Å; R9-E12 HydrophobicContact CB-CG 4.24Å; R9-E12 PolarHBondContact N-OE2 2.96Å; R9-E12 VanDerWaalsContact N-OE2 3.12Å; R9-E12 WeakPolarHBondContact O-CB 3.32Å; R9-E12 PolarHBondContact O-N 3.09Å; R9-E189 IonicContact CZ-OE1 3.71Å; R9-E189 IonicContact NE-OE1 3.98Å; R9-E189 IonicContact NH2-OE1 2.69Å; R9-E189 PolarHBondContact NH2-OE1 2.8Å
10E66.7Low84.9Confident162 Ų16274.4 Ų74.476%0.75739%0.387SS*.THydrogen-bonded Turntrans-56.9130175.6-70-168.314900110.8
11G64.9Low85.3Confident76 Ų7671.2 Ų71.278%0.78437%0.371SS*.THydrogen-bonded Turntrans92.5-9.4-174.200000115.5R9 E13R9-G11 PolarHBondContact O-N 3.18Å; G11-E13 VanDerWaalsContact C-N 3.33Å; G11-E13 PolarHBondContact O-N 3.27Å
12E68.2Low85.8Confident97 Ų9767.4 Ų67.445%0.45335%0.352SS..  trans-87.264.7173.1-62.9-175.6146.400111.7R9 D14 Y15R9-E12 HydrophobicContact CB-CG 4.24Å; R9-E12 PolarHBondContact N-OE2 2.96Å; R9-E12 VanDerWaalsContact N-OE2 3.12Å; R9-E12 WeakPolarHBondContact O-CB 3.32Å; R9-E12 PolarHBondContact O-N 3.09Å; E12-D14 PolarHBondContact O-N 2.94Å; E12-Y15 PolarHBondContact O-N 2.84Å
13E64.5Low85.9Confident189 Ų18968 Ų6888%0.88336%0.356SS*.THydrogen-bonded Turntrans-59.7-30.3-178.7-63.5-171.8165.500113.2G11G11-E13 VanDerWaalsContact C-N 3.33Å; G11-E13 PolarHBondContact O-N 3.27Å
14D72.8Confident85.8Confident161 Ų16162.5 Ų62.586%0.86134%0.335SS*.THydrogen-bonded Turntrans-100.943.4-177.8-77.8-44.4000113.4E12 P16E12-D14 PolarHBondContact O-N 2.94Å; D14-P16 WeakPolarHBondContact O-CD 3.39Å
15Y84Confident85.6Confident56 Ų5669 Ų6922%0.2236%0.361CS..  trans-59.5125.2178.5-173.2-82.1000112A6 E12 F17 V33A6-Y15 WeakPolarHBondContact CB-OH 3.24Å; E12-Y15 PolarHBondContact O-N 2.84Å; Y15-F17 AromaticContact CD1-CD1 3.82Å; Y15-F17 HydrophobicContact CD1-CD1 3.82Å; Y15-F17 HydrophobicContact CD1-CD2 4.01Å; Y15-F17 AromaticContact CD1-CE1 3.69Å; Y15-F17 HydrophobicContact CD1-CE1 3.69Å; Y15-F17 AromaticContact CD1-CE2 3.89Å; Y15-F17 HydrophobicContact CD1-CE2 3.89Å; Y15-F17 AromaticContact CD1-CG 3.96Å; Y15-F17 HydrophobicContact CD1-CG 3.96Å; Y15-F17 AromaticContact CD1-CZ 3.71Å; Y15-F17 HydrophobicContact CD1-CZ 3.71Å; Y15-F17 HydrophobicContact CE1-CD1 4.13Å; Y15-F17 HydrophobicContact CE1-CE1 4.2Å; Y15-F17 HydrophobicContact CE1-CG 4.5Å; Y15-F17 HydrophobicContact CG-CE2 4.37Å; Y15-F17 HydrophobicContact CG-CZ 4.22Å; Y15-F17 WeakPolarHBondContact O-CD2 3.4Å; Y15-F17 PolarHBondContact O-N 2.77Å; Y15-V33 HydrophobicContact CD1-CG2 4.15Å; Y15-V33 HydrophobicContact CE1-CG1 4.27Å; Y15-V33 HydrophobicContact CE1-CG2 3.58Å; Y15-V33 HydrophobicContact CE2-CG2 4.12Å
16P87.1Confident85.4Confident98 Ų9867.6 Ų67.664%0.63635%0.352SS*.  trans-83.873.6-170.534.2-37000113D14 L18D14-P16 WeakPolarHBondContact O-CD 3.39Å; P16-L18 PolarHBondContact O-N 3.29Å
17F90.1Very high85Confident48 Ų4868.7 Ų68.721%0.21136%0.356CS..  trans-55.5125178.1-64.4-79.2000113Y15 Q21 P23 V33Y15-F17 AromaticContact CD1-CD1 3.82Å; Y15-F17 HydrophobicContact CD1-CD1 3.82Å; Y15-F17 HydrophobicContact CD1-CD2 4.01Å; Y15-F17 AromaticContact CD1-CE1 3.69Å; Y15-F17 HydrophobicContact CD1-CE1 3.69Å; Y15-F17 AromaticContact CD1-CE2 3.89Å; Y15-F17 HydrophobicContact CD1-CE2 3.89Å; Y15-F17 AromaticContact CD1-CG 3.96Å; Y15-F17 HydrophobicContact CD1-CG 3.96Å; Y15-F17 AromaticContact CD1-CZ 3.71Å; Y15-F17 HydrophobicContact CD1-CZ 3.71Å; Y15-F17 HydrophobicContact CE1-CD1 4.13Å; Y15-F17 HydrophobicContact CE1-CE1 4.2Å; Y15-F17 HydrophobicContact CE1-CG 4.5Å; Y15-F17 HydrophobicContact CG-CE2 4.37Å; Y15-F17 HydrophobicContact CG-CZ 4.22Å; Y15-F17 WeakPolarHBondContact O-CD2 3.4Å; Y15-F17 PolarHBondContact O-N 2.77Å; F17-Q21 HydrophobicContact CB-CB 4.34Å; F17-Q21 HydrophobicContact CD1-CB 4.16Å; F17-P23 HydrophobicContact CE1-CB 4.12Å; F17-P23 HydrophobicContact CE1-CG 4.45Å; F17-P23 HydrophobicContact CZ-CB 3.76Å; F17-P23 HydrophobicContact CZ-CG 4.04Å; F17-V33 HydrophobicContact CD1-CG1 4.13Å; F17-V33 HydrophobicContact CE1-CG1 4.17Å; F17-V33 HydrophobicContact CE1-CG2 4.17Å
18L92.1Very high84.5Confident109 Ų10976.1 Ų76.157%0.57140%0.395SS*.  trans-78.1175174.8-52.8-178.2000111.7P16 R20 Q21P16-L18 PolarHBondContact O-N 3.29Å; L18-R20 PolarHBondContact O-N 3.46Å; L18-Q21 HydrophobicContact CB-CG 4.22Å; L18-Q21 WeakPolarHBondContact O-CB 3.34Å; L18-Q21 PolarHBondContact O-N 3.16Å
19A91Very high84.2Confident46 Ų4680.1 Ų80.138%0.3842%0.42SS..THydrogen-bonded Turntrans-52.2134.6172.100000110.9Q21 P109 E112A19-Q21 PolarHBondContact O-N 3.23Å; A19-P109 HydrophobicContact CB-CB 4.44Å; A19-E112 HydrophobicContact CB-CB 4.39Å; A19-E112 WeakPolarHBondContact CB-OE2 3.45Å
20R91.8Very high84.5Confident19 Ų1973.1 Ų73.17%0.07239%0.393CS..THydrogen-bonded Turntrans58.426-175.7-56.3-168.6-165.6148.940.5115.8L18 E35 F36 P37 D38 P109 A110 E112L18-R20 PolarHBondContact O-N 3.46Å; R20-E35 WeakPolarHBondContact O-CA 3.31Å; R20-F36 HydrophobicContact CB-CB 4.15Å; R20-F36 HydrophobicContact CB-CD2 4.47Å; R20-F36 VanDerWaalsContact O-CD2 3.23Å; R20-F36 WeakPolarHBondContact O-CD2 3.23Å; R20-F36 PolarHBondContact O-N 2.93Å; R20-P37 PolarHBondContact NH1-O 3.3Å; R20-D38 IonicContact CZ-OD1 3.91Å; R20-D38 PolarHBondContact NH1-O 3.47Å; R20-D38 IonicContact NH1-OD1 2.83Å; R20-D38 PolarHBondContact NH1-OD1 2.93Å; R20-D38 VanDerWaalsContact NH1-OD1 3.1Å; R20-D38 IonicContact NH2-OD1 2.69Å; R20-D38 PolarHBondContact NH2-OD1 3.18Å; R20-P109 PolarHBondContact N-O 3.14Å; R20-A110 WeakPolarHBondContact CA-O 3.49Å; R20-E112 PolarHBondContact NE-O 3.08Å
21Q94.1Very high85.8Confident9 Ų966.6 Ų66.64%0.04237%0.365CS..EExtended strand (participates in β ladder)trans-108.5145.1169-63.6-179.6-11.500112.2F17 L18 A19 V33 M34 E35F17-Q21 HydrophobicContact CB-CB 4.34Å; F17-Q21 HydrophobicContact CD1-CB 4.16Å; L18-Q21 HydrophobicContact CB-CG 4.22Å; L18-Q21 WeakPolarHBondContact O-CB 3.34Å; L18-Q21 PolarHBondContact O-N 3.16Å; A19-Q21 PolarHBondContact O-N 3.23Å; Q21-V33 HydrophobicContact CB-CG1 4Å; Q21-V33 HydrophobicContact CG-CG1 4.21Å; Q21-M34 CarbonylContact C-O 3.45Å; Q21-M34 VanDerWaalsContact CA-O 3.27Å; Q21-M34 WeakPolarHBondContact CA-O 3.41Å; Q21-E35 HydrophobicContact CG-CB 4.08Å; Q21-E35 HydrophobicContact CG-CG 4.15Å; Q21-E35 PolarHBondContact NE2-OE1 3.43Å
22I92.8Very high87.3Confident4 Ų463 Ų632%0.02133%0.327CS..EExtended strand (participates in β ladder)trans-137.8156.2171.962.9174000111.2M34 F36 L99 A110 E322I22-M34 HydrophobicContact CD1-SD 4.14Å; I22-M34 HydrophobicContact CG1-CB 4.04Å; I22-M34 HydrophobicContact CG1-CG 4.39Å; I22-M34 HydrophobicContact CG1-SD 4.29Å; I22-M34 PolarHBondContact N-O 3.16Å; I22-M34 PolarHBondContact O-N 3.1Å; I22-F36 HydrophobicContact CD1-CE2 3.88Å; I22-F36 HydrophobicContact CD1-CZ 3.67Å; I22-F36 HydrophobicContact CG1-CE2 3.88Å; I22-F36 HydrophobicContact CG1-CZ 4.06Å; I22-F36 HydrophobicContact CG2-CE2 4.26Å; I22-L99 HydrophobicContact CG2-CD1 4.44Å; I22-A110 HydrophobicContact CG2-CB 3.47Å; I22-A110 VanDerWaalsContact CG2-CB 3.47Å; I22-E322 HydrophobicContact CD1-CB 4.3Å
23P93.1Very high88.6Confident13 Ų1358.4 Ų58.48%0.08431%0.306CS..EExtended strand (participates in β ladder)trans-68.4138.3165.127.7-33.1000111.1F17 Y25 T31F17-P23 HydrophobicContact CE1-CB 4.12Å; F17-P23 HydrophobicContact CE1-CG 4.45Å; F17-P23 HydrophobicContact CZ-CB 3.76Å; F17-P23 HydrophobicContact CZ-CG 4.04Å; P23-Y25 HydrophobicContact CB-CE1 4.42Å; P23-Y25 HydrophobicContact CB-CE2 3.87Å; P23-Y25 HydrophobicContact CG-CE2 3.88Å; P23-T31 HydrophobicContact CB-CG2 4.03Å
24L93.7Very high90Very high3 Ų349.4 Ų49.42%0.01626%0.264CS..EExtended strand (participates in β ladder)trans-120.894.2172.6-173.772.4000109.4L4 I26 M32 M34 K318 L319 E322L4-L24 HydrophobicContact CD2-CD2 3.7Å; L24-I26 HydrophobicContact CD2-CD1 3.77Å; L24-I26 HydrophobicContact CG-CD1 3.85Å; L24-I26 PolarHBondContact O-N 3.44Å; L24-M32 WeakPolarHBondContact CB-O 3.37Å; L24-M32 PolarHBondContact N-O 3.19Å; L24-M32 PolarHBondContact O-N 2.61Å; L24-M34 HydrophobicContact CB-CB 3.96Å; L24-M34 HydrophobicContact CB-SD 4.42Å; L24-M34 HydrophobicContact CD1-SD 3.89Å; L24-M34 HydrophobicContact CD2-SD 4.21Å; L24-M34 HydrophobicContact CG-SD 4.4Å; L24-K318 HydrophobicContact CD1-CB 4.06Å; L24-K318 HydrophobicContact CD2-CB 4.39Å; L24-K318 HydrophobicContact CG-CB 4.29Å; L24-L319 HydrophobicContact CD2-CB 4.14Å; L24-L319 HydrophobicContact CD2-CD1 4.09Å; L24-E322 HydrophobicContact CD1-CB 3.92Å; L24-E322 HydrophobicContact CD1-CG 3.85Å
25Y92.3Very high91.1Very high136 Ų13644.3 Ų44.353%0.53324%0.235SC..EExtended strand (participates in β ladder)trans-67.7113.8176-52.1-82.2000110P23 T31 K318P23-Y25 HydrophobicContact CB-CE1 4.42Å; P23-Y25 HydrophobicContact CB-CE2 3.87Å; P23-Y25 HydrophobicContact CG-CE2 3.88Å; Y25-T31 HydrophobicContact CD1-CG2 3.95Å; Y25-T31 VanDerWaalsContact CD1-OG1 3.29Å; Y25-T31 WeakPolarHBondContact CD1-OG1 3.29Å; Y25-T31 HydrophobicContact CE1-CG2 4.03Å; Y25-K318 PolarHBondContact O-NZ 3.32Å
26I91.3Very high91.5Very high2 Ų241.9 Ų41.91%0.0123%0.226CC..  trans-87.3-50.3-179.3-53.4-53.1000109.9L24 L30 M32 R314 I315 K318L24-I26 HydrophobicContact CD2-CD1 3.77Å; L24-I26 HydrophobicContact CG-CD1 3.85Å; L24-I26 PolarHBondContact O-N 3.44Å; I26-L30 HydrophobicContact CB-CB 4.16Å; I26-L30 HydrophobicContact CB-CD2 4.13Å; I26-L30 HydrophobicContact CB-CG 4.02Å; I26-L30 VanDerWaalsContact CB-O 3.29Å; I26-L30 WeakPolarHBondContact CB-O 3.37Å; I26-L30 HydrophobicContact CG1-CB 4.49Å; I26-L30 HydrophobicContact CG1-CD2 3.98Å; I26-L30 HydrophobicContact CG1-CG 3.83Å; I26-L30 HydrophobicContact CG2-CD2 4.23Å; I26-L30 PolarHBondContact N-O 3.24Å; I26-M32 HydrophobicContact CG1-CG 4.33Å; I26-M32 HydrophobicContact CG1-SD 4.38Å; I26-R314 HydrophobicContact CG2-CG 3.96Å; I26-I315 HydrophobicContact CB-CG1 4.49Å; I26-I315 HydrophobicContact CD1-CB 4.33Å; I26-I315 HydrophobicContact CD1-CG1 3.93Å; I26-I315 HydrophobicContact CD1-CG2 4.15Å; I26-I315 HydrophobicContact CG1-CG1 4.07Å; I26-I315 HydrophobicContact CG2-CG1 3.59Å; I26-K318 HydrophobicContact CD1-CB 4.16Å; I26-K318 HydrophobicContact CD1-CG 4.49Å; I26-K318 PolarHBondContact O-NZ 3.49Å
27D86.6Confident91.4Very high35 Ų3539.3 Ų39.319%0.18721%0.209CC..SBendtrans-155.8-168.7174.33757.4000107.2T29 L30 R314D27-T29 VanDerWaalsContact C-N 3.31Å; D27-T29 PolarHBondContact O-N 2.82Å; D27-L30 WeakPolarHBondContact OD1-CB 3.41Å; D27-L30 PolarHBondContact OD1-N 3.27Å; D27-L30 VanDerWaalsContact OD1-N 3.15Å; D27-R314 WeakPolarHBondContact OD2-CD 3.17Å; D27-R314 IonicContact OD2-CZ 2.72Å; D27-R314 IonicContact OD2-NE 3.68Å; D27-R314 IonicContact OD2-NH1 2.86Å; D27-R314 PolarHBondContact OD2-NH1 2.98Å
28D84.1Confident90.8Very high167 Ų16742.5 Ų42.589%0.89323%0.228SC*.SBendtrans-71.4-24.5-169.7-53.4-44.1000113.2
29T83.6Confident89.5Confident104 Ų10441 Ų4164%0.63823%0.227SC*.SBendtrans-99.9-28.2179.556.60000113.7D27D27-T29 VanDerWaalsContact C-N 3.31Å; D27-T29 PolarHBondContact O-N 2.82Å
30L90.3Very high88Confident2 Ų240.6 Ų40.61%0.0122%0.216CC..  trans-107.7111.8-178.8179.257.9000113.2V7 I26 D27 M32 E193 I315V7-L30 HydrophobicContact CG1-CD1 4.07Å; I26-L30 HydrophobicContact CB-CB 4.16Å; I26-L30 HydrophobicContact CB-CD2 4.13Å; I26-L30 HydrophobicContact CB-CG 4.02Å; I26-L30 VanDerWaalsContact CB-O 3.29Å; I26-L30 WeakPolarHBondContact CB-O 3.37Å; I26-L30 HydrophobicContact CG1-CB 4.49Å; I26-L30 HydrophobicContact CG1-CD2 3.98Å; I26-L30 HydrophobicContact CG1-CG 3.83Å; I26-L30 HydrophobicContact CG2-CD2 4.23Å; I26-L30 PolarHBondContact N-O 3.24Å; D27-L30 WeakPolarHBondContact OD1-CB 3.41Å; D27-L30 PolarHBondContact OD1-N 3.27Å; D27-L30 VanDerWaalsContact OD1-N 3.15Å; L30-M32 HydrophobicContact CD1-CE 4.21Å; L30-M32 HydrophobicContact CD1-CG 3.87Å; L30-M32 HydrophobicContact CD2-CE 4.12Å; L30-M32 HydrophobicContact CD2-SD 4.49Å; L30-M32 HydrophobicContact CG-CG 4.19Å; L30-E193 HydrophobicContact CD1-CG 3.53Å; L30-I315 HydrophobicContact CD2-CD1 4.34Å
31T93.9Very high86.3Confident25 Ų2541.6 Ų41.615%0.15322%0.222CC..EExtended strand (participates in β ladder)trans-115.2127.5164.7-630000110.5C8 P23 Y25C8-T31 HydrophobicContact CB-CG2 4.02Å; C8-T31 PolarHBondContact N-O 3.32Å; P23-T31 HydrophobicContact CB-CG2 4.03Å; Y25-T31 HydrophobicContact CD1-CG2 3.95Å; Y25-T31 VanDerWaalsContact CD1-OG1 3.29Å; Y25-T31 WeakPolarHBondContact CD1-OG1 3.29Å; Y25-T31 HydrophobicContact CE1-CG2 4.03Å
32M95.4Very high84.6Confident0 Ų046.8 Ų46.80%025%0.25CS..EExtended strand (participates in β ladder)trans-111.8154.7179.3-68.3-177.7148.300111.8L4 L24 I26 L30 C190 V194 I315L4-M32 HydrophobicContact CD1-SD 3.93Å; L4-M32 HydrophobicContact CD2-CB 3.94Å; L4-M32 HydrophobicContact CD2-SD 4.22Å; L4-M32 HydrophobicContact CG-SD 4.47Å; L24-M32 WeakPolarHBondContact CB-O 3.37Å; L24-M32 PolarHBondContact N-O 3.19Å; L24-M32 PolarHBondContact O-N 2.61Å; I26-M32 HydrophobicContact CG1-CG 4.33Å; I26-M32 HydrophobicContact CG1-SD 4.38Å; L30-M32 HydrophobicContact CD1-CE 4.21Å; L30-M32 HydrophobicContact CD1-CG 3.87Å; L30-M32 HydrophobicContact CD2-CE 4.12Å; L30-M32 HydrophobicContact CD2-SD 4.49Å; L30-M32 HydrophobicContact CG-CG 4.19Å; M32-C190 HydrophobicContact CE-CB 3.78Å; M32-C190 WeakPolarHBondContact CE-O 3.14Å; M32-V194 HydrophobicContact CE-CG2 3.65Å; M32-I315 HydrophobicContact CE-CD1 4.49Å; M32-I315 HydrophobicContact SD-CD1 4.45Å; M32-I315 HydrophobicContact SD-CG2 4.37Å
33V95.3Very high82.7Confident0 Ų048.4 Ų48.40%026%0.264CS..EExtended strand (participates in β ladder)trans-89.7119.9174-174.70000109.6L4 V5 A6 C8 Y15 F17 Q21L4-V33 WeakPolarHBondContact CA-O 3.24Å; V5-V33 HydrophobicContact CG2-CB 3.93Å; V5-V33 HydrophobicContact CG2-CG1 3.67Å; V5-V33 PolarHBondContact N-O 3.2Å; A6-V33 HydrophobicContact CB-CB 4.17Å; A6-V33 HydrophobicContact CB-CG2 3.93Å; A6-V33 PolarHBondContact O-N 3.31Å; C8-V33 VanDerWaalsContact SG-CG2 3.54Å; Y15-V33 HydrophobicContact CD1-CG2 4.15Å; Y15-V33 HydrophobicContact CE1-CG1 4.27Å; Y15-V33 HydrophobicContact CE1-CG2 3.58Å; Y15-V33 HydrophobicContact CE2-CG2 4.12Å; F17-V33 HydrophobicContact CD1-CG1 4.13Å; F17-V33 HydrophobicContact CE1-CG1 4.17Å; F17-V33 HydrophobicContact CE1-CG2 4.17Å; Q21-V33 HydrophobicContact CB-CG1 4Å; Q21-V33 HydrophobicContact CG-CG1 4.21Å
34M95.6Very high80.7Confident0 Ų057.3 Ų57.30%031%0.305CS..EExtended strand (participates in β ladder)trans-106.6124.5-177.4178.3-177.9-177.100110.9A2 R3 L4 Q21 I22 L24 F36 L319 E322 E323A2-M34 HydrophobicContact CB-CE 3.38Å; A2-M34 HydrophobicContact CB-CG 3.94Å; R3-M34 CarbonylContact O-C 3.5Å; R3-M34 WeakPolarHBondContact O-CA 3.43Å; L4-M34 HydrophobicContact CD2-CB 4.33Å; Q21-M34 CarbonylContact C-O 3.45Å; Q21-M34 VanDerWaalsContact CA-O 3.27Å; Q21-M34 WeakPolarHBondContact CA-O 3.41Å; I22-M34 HydrophobicContact CD1-SD 4.14Å; I22-M34 HydrophobicContact CG1-CB 4.04Å; I22-M34 HydrophobicContact CG1-CG 4.39Å; I22-M34 HydrophobicContact CG1-SD 4.29Å; I22-M34 PolarHBondContact N-O 3.16Å; I22-M34 PolarHBondContact O-N 3.1Å; L24-M34 HydrophobicContact CB-CB 3.96Å; L24-M34 HydrophobicContact CB-SD 4.42Å; L24-M34 HydrophobicContact CD1-SD 3.89Å; L24-M34 HydrophobicContact CD2-SD 4.21Å; L24-M34 HydrophobicContact CG-SD 4.4Å; M34-F36 HydrophobicContact CE-CE1 3.61Å; M34-F36 HydrophobicContact CE-CZ 3.88Å; M34-F36 HydrophobicContact CG-CZ 4.31Å; M34-F36 HydrophobicContact SD-CE1 4.45Å; M34-F36 HydrophobicContact SD-CZ 4.14Å; M34-L319 HydrophobicContact CE-CD1 3.67Å; M34-L319 HydrophobicContact CE-CG 4.19Å; M34-L319 VanDerWaalsContact CE-O 3.23Å; M34-L319 WeakPolarHBondContact CE-O 3.38Å; M34-L319 HydrophobicContact CG-CD1 3.93Å; M34-L319 HydrophobicContact SD-CD1 3.96Å; M34-E322 HydrophobicContact SD-CB 4.13Å; M34-E323 HydrophobicContact CE-CB 3.63Å
35E95.1Very high78.8Confident54 Ų5460.9 Ų60.925%0.25234%0.342SS..EExtended strand (participates in β ladder)trans-115.4128.7-172.8-179.3176.4-86.300112.1A2 R3 V5 R20 Q21A2-E35 CarbonylContact C-O 3.33Å; A2-E35 WeakPolarHBondContact CA-O 3.49Å; A2-E35 WeakPolarHBondContact CB-O 3.17Å; R3-E35 PolarHBondContact N-O 2.87Å; R3-E35 PolarHBondContact O-N 2.95Å; V5-E35 HydrophobicContact CG1-CB 3.78Å; V5-E35 HydrophobicContact CG1-CG 4.43Å; V5-E35 HydrophobicContact CG2-CB 4.11Å; R20-E35 WeakPolarHBondContact O-CA 3.31Å; Q21-E35 HydrophobicContact CG-CB 4.08Å; Q21-E35 HydrophobicContact CG-CG 4.15Å; Q21-E35 PolarHBondContact NE2-OE1 3.43Å
36F92.2Very high77.2Confident6 Ų657.7 Ų57.73%0.02634%0.337CS..  trans-90.5138.6176.9-54.5-77.3000112A2 R20 I22 M34 E323 W326A2-F36 HydrophobicContact CB-CD1 3.84Å; A2-F36 HydrophobicContact CB-CE1 3.93Å; R20-F36 HydrophobicContact CB-CB 4.15Å; R20-F36 HydrophobicContact CB-CD2 4.47Å; R20-F36 VanDerWaalsContact O-CD2 3.23Å; R20-F36 WeakPolarHBondContact O-CD2 3.23Å; R20-F36 PolarHBondContact O-N 2.93Å; I22-F36 HydrophobicContact CD1-CE2 3.88Å; I22-F36 HydrophobicContact CD1-CZ 3.67Å; I22-F36 HydrophobicContact CG1-CE2 3.88Å; I22-F36 HydrophobicContact CG1-CZ 4.06Å; I22-F36 HydrophobicContact CG2-CE2 4.26Å; M34-F36 HydrophobicContact CE-CE1 3.61Å; M34-F36 HydrophobicContact CE-CZ 3.88Å; M34-F36 HydrophobicContact CG-CZ 4.31Å; M34-F36 HydrophobicContact SD-CE1 4.45Å; M34-F36 HydrophobicContact SD-CZ 4.14Å; F36-E323 HydrophobicContact CE1-CB 4.44Å; F36-E323 HydrophobicContact CE1-CG 4.46Å; F36-W326 HydrophobicContact CB-CD2 4.35Å; F36-W326 HydrophobicContact CB-CE3 4.33Å; F36-W326 HydrophobicContact CB-CH2 4.01Å; F36-W326 HydrophobicContact CB-CZ2 3.98Å; F36-W326 HydrophobicContact CB-CZ3 4.18Å; F36-W326 HydrophobicContact CD1-CB 4.36Å; F36-W326 AromaticContact CD1-CD2 3.7Å; F36-W326 HydrophobicContact CD1-CD2 3.7Å; F36-W326 AromaticContact CD1-CE3 3.71Å; F36-W326 HydrophobicContact CD1-CE3 3.71Å; F36-W326 AromaticContact CD1-CG 4Å; F36-W326 HydrophobicContact CD1-CG 4Å; F36-W326 HydrophobicContact CD1-CZ3 4.32Å; F36-W326 AromaticContact CD2-CD1 3.57Å; F36-W326 AromaticContact CD2-CD2 3.68Å; F36-W326 HydrophobicContact CD2-CD2 3.68Å; F36-W326 AromaticContact CD2-CE2 3.49Å; F36-W326 VanDerWaalsContact CD2-CE2 3.49Å; F36-W326 HydrophobicContact CD2-CE3 4.41Å; F36-W326 AromaticContact CD2-CG 3.76Å; F36-W326 HydrophobicContact CD2-CG 3.76Å; F36-W326 HydrophobicContact CD2-CZ2 4.11Å; F36-W326 AromaticContact CD2-NE1 3.36Å; F36-W326 HydrophobicContact CE1-CB 3.64Å; F36-W326 AromaticContact CE1-CD2 3.9Å; F36-W326 HydrophobicContact CE1-CD2 3.9Å; F36-W326 HydrophobicContact CE1-CE3 4.16Å; F36-W326 AromaticContact CE1-CG 3.68Å; F36-W326 HydrophobicContact CE1-CG 3.68Å; F36-W326 HydrophobicContact CE2-CB 3.99Å; F36-W326 AromaticContact CE2-CD1 3.21Å; F36-W326 AromaticContact CE2-CD2 3.9Å; F36-W326 HydrophobicContact CE2-CD2 3.9Å; F36-W326 AromaticContact CE2-CE2 3.99Å; F36-W326 AromaticContact CE2-CG 3.44Å; F36-W326 HydrophobicContact CE2-CG 3.44Å; F36-W326 VanDerWaalsContact CE2-CG 3.44Å; F36-W326 AromaticContact CE2-NE1 3.53Å; F36-W326 AromaticContact CG-CD2 3.6Å; F36-W326 HydrophobicContact CG-CD2 3.6Å; F36-W326 AromaticContact CG-CE2 3.66Å; F36-W326 AromaticContact CG-CE3 3.87Å; F36-W326 HydrophobicContact CG-CE3 3.87Å; F36-W326 HydrophobicContact CG-CG 4.05Å; F36-W326 HydrophobicContact CG-CH2 4.31Å; F36-W326 HydrophobicContact CG-CZ2 4.03Å; F36-W326 HydrophobicContact CG-CZ3 4.22Å; F36-W326 HydrophobicContact CZ-CB 3.43Å; F36-W326 VanDerWaalsContact CZ-CB 3.43Å; F36-W326 AromaticContact CZ-CD1 3.63Å; F36-W326 HydrophobicContact CZ-CD2 4.01Å; F36-W326 AromaticContact CZ-CG 3.4Å; F36-W326 HydrophobicContact CZ-CG 3.4Å; F36-W326 VanDerWaalsContact CZ-CG 3.4Å
37P85.5Confident75.6Confident43 Ų4365.3 Ų65.328%0.27938%0.378SS..  trans-62.5148.1-172.225.2-35.3000113.2R20 S39 F40R20-P37 PolarHBondContact NH1-O 3.3Å; P37-S39 VanDerWaalsContact C-N 3.35Å; P37-S39 PolarHBondContact O-N 3.34Å; P37-F40 HydrophobicContact CG-CE2 4.03Å; P37-F40 VanDerWaalsContact O-CD2 3.25Å; P37-F40 WeakPolarHBondContact O-CD2 3.32Å
38D77Confident74.6Confident116 Ų11666.5 Ų66.562%0.6239%0.386SS*.G310 helixtrans-76.9-21.6-171.2-137.4-25.4000114R20 F40R20-D38 IonicContact CZ-OD1 3.91Å; R20-D38 PolarHBondContact NH1-O 3.47Å; R20-D38 IonicContact NH1-OD1 2.83Å; R20-D38 PolarHBondContact NH1-OD1 2.93Å; R20-D38 VanDerWaalsContact NH1-OD1 3.1Å; R20-D38 IonicContact NH2-OD1 2.69Å; R20-D38 PolarHBondContact NH2-OD1 3.18Å; D38-F40 PolarHBondContact O-N 3.26Å
39S64Low74Confident78 Ų7862 Ų6255%0.54537%0.365SS..G310 helixtrans-65.47.9-169.359.30000117.5P37 M41 D42P37-S39 VanDerWaalsContact C-N 3.35Å; P37-S39 PolarHBondContact O-N 3.34Å; S39-M41 PolarHBondContact O-N 3.32Å; S39-D42 WeakPolarHBondContact CA-OD2 3.23Å
40F59.7Low73.7Confident37 Ų3762.1 Ų62.116%0.16236%0.361CS..G310 helixtrans-70.5-4.1169.4-66.3-72.8000114.2P37 D38 H142 W326 F330P37-F40 HydrophobicContact CG-CE2 4.03Å; P37-F40 VanDerWaalsContact O-CD2 3.25Å; P37-F40 WeakPolarHBondContact O-CD2 3.32Å; D38-F40 PolarHBondContact O-N 3.26Å; F40-H142 PolarHBondContact O-CE1 3.24Å; F40-H142 PolarHBondContact O-ND1 2.83Å; F40-H142 PolarHBondContact O-NE2 3.03Å; F40-W326 HydrophobicContact CD2-CH2 4.04Å; F40-W326 HydrophobicContact CD2-CZ3 4.35Å; F40-W326 AromaticContact CE2-CH2 3.76Å; F40-W326 HydrophobicContact CE2-CH2 3.76Å; F40-W326 AromaticContact CE2-CZ3 3.65Å; F40-W326 HydrophobicContact CE2-CZ3 3.65Å; F40-W326 HydrophobicContact CZ-CH2 4.4Å; F40-W326 AromaticContact CZ-CZ3 3.89Å; F40-W326 HydrophobicContact CZ-CZ3 3.89Å; F40-F330 HydrophobicContact CB-CE1 4.4Å; F40-F330 HydrophobicContact CB-CZ 4.48Å; F40-F330 HydrophobicContact CD1-CE1 4.41Å; F40-F330 HydrophobicContact CG-CE1 4.33Å
41M57.7Low73.2Confident40 Ų4065 Ų6520%0.19739%0.386CS..SBendtrans-122-5.9178.6-72.2-799200115.2S39 A43 P113 T137 L138S39-M41 PolarHBondContact O-N 3.32Å; M41-A43 PolarHBondContact O-N 2.88Å; M41-P113 HydrophobicContact CE-CG 4.43Å; M41-P113 HydrophobicContact CG-CG 4.4Å; M41-P113 HydrophobicContact SD-CG 3.95Å; M41-T137 HydrophobicContact CE-CG2 4.26Å; M41-L138 HydrophobicContact CE-CB 4.17Å; M41-L138 HydrophobicContact CE-CD1 3.7Å
42D57.4Low72.6Confident118 Ų11868.8 Ų68.863%0.63140%0.401SS*.  trans-79.680.7-176.5-61.2-36.9000111.6S39 E44S39-D42 WeakPolarHBondContact CA-OD2 3.23Å; D42-E44 PolarHBondContact O-N 2.86Å
43A53.7Low72.1Confident38 Ų3871.4 Ų71.431%0.31441%0.411SS..  trans-8221.7-178.300000114.4M41 G45 T46 T137M41-A43 PolarHBondContact O-N 2.88Å; A43-G45 VanDerWaalsContact C-N 3.25Å; A43-G45 PolarHBondContact O-N 3.38Å; A43-T46 PolarHBondContact O-N 3.26Å; A43-T137 HydrophobicContact CB-CG2 3.97Å
44E50.6Low71.8Confident200 Ų20077.5 Ų77.594%0.93544%0.438SS*.THydrogen-bonded Turntrans-73.272.6-178.9-62.6-159.3140.900112D42D42-E44 PolarHBondContact O-N 2.86Å
45G52.8Low71.4Confident78 Ų7881.2 Ų81.280%0.80446%0.455SS*.THydrogen-bonded Turntrans138.33.8176.500000115.8A43A43-G45 VanDerWaalsContact C-N 3.25Å; A43-G45 PolarHBondContact O-N 3.38Å
46T59.2Low71.2Confident68 Ų6879 Ų7942%0.41744%0.444SS..  trans-80.1123.2173.5-54.50000110.6A43 V48 I141A43-T46 PolarHBondContact O-N 3.26Å; T46-V48 VanDerWaalsContact C-N 3.35Å; T46-V48 PolarHBondContact O-N 3.09Å; T46-I141 HydrophobicContact CG2-CD1 3.69Å; T46-I141 HydrophobicContact CG2-CG1 4.13Å; T46-I141 HydrophobicContact CG2-CG2 4.01Å
47D57.2Low71.1Confident162 Ų16280.3 Ų80.387%0.86646%0.455SS*.  trans-67.787.6177-116.1-26.6000111.1T49D47-T49 PolarHBondContact O-N 3.4Å; D47-T49 VanDerWaalsContact O-N 3.08Å
48V65.4Low71.3Confident60 Ų6083 Ų8336%0.36446%0.464SS..  trans-65.4109.6177.1172.10000109.2T46 L50 W53 Y136 I141T46-V48 VanDerWaalsContact C-N 3.35Å; T46-V48 PolarHBondContact O-N 3.09Å; V48-L50 PolarHBondContact O-N 3.35Å; V48-W53 HydrophobicContact CG1-CB 3.57Å; V48-W53 HydrophobicContact CG1-CG 4.21Å; V48-Y136 HydrophobicContact CG1-CD1 4.38Å; V48-Y136 HydrophobicContact CG1-CE1 3.68Å; V48-Y136 HydrophobicContact CG2-CE1 4.23Å; V48-I141 HydrophobicContact CG2-CD1 4.17Å
49T72.3Confident72Confident74 Ų7478.3 Ų78.345%0.45444%0.437SS..  trans-56.5105174.6-45.60000109.9D47 A51 H52 W53D47-T49 PolarHBondContact O-N 3.4Å; D47-T49 VanDerWaalsContact O-N 3.08Å; T49-A51 PolarHBondContact O-N 3.09Å; T49-H52 PolarHBondContact O-N 3.25Å; T49-W53 PolarHBondContact O-N 3.18Å
50L77.7Confident73.2Confident105 Ų10576.1 Ų76.155%0.5542%0.417SS..Hα-helixtrans-56.4-26.9-169.2-175.962.4000113.7V48 K54V48-L50 PolarHBondContact O-N 3.35Å; L50-K54 HydrophobicContact CG-CD 4.32Å; L50-K54 WeakPolarHBondContact O-CB 3.46Å; L50-K54 WeakPolarHBondContact O-CD 3.23Å; L50-K54 VanDerWaalsContact O-CG 3.23Å; L50-K54 WeakPolarHBondContact O-CG 3.34Å; L50-K54 PolarHBondContact O-N 3.14Å
51A79.8Confident74.6Confident64 Ų6478.4 Ų78.453%0.52944%0.438SS..Hα-helixtrans-67-51.9173.400000112.6T49 W53 K54 Q55T49-A51 PolarHBondContact O-N 3.09Å; A51-W53 PolarHBondContact O-N 2.97Å; A51-K54 PolarHBondContact O-N 2.91Å; A51-Q55 PolarHBondContact O-N 2.98Å
52H81.5Confident76.1Confident103 Ų10381.6 Ų81.648%0.47745%0.451SS..Hα-helixtrans-63.8-39.6-179.8-59.8156000111.8T49 Q55 F56 Y136T49-H52 PolarHBondContact O-N 3.25Å; H52-Q55 PolarHBondContact O-N 3.4Å; H52-F56 WeakPolarHBondContact O-CB 3.43Å; H52-F56 PolarHBondContact O-N 3.35Å; H52-Y136 HydrophobicContact CB-CE2 4.3Å; H52-Y136 WeakPolarHBondContact CB-OH 3.25Å
53W85.6Confident77.7Confident55 Ų5576.6 Ų76.621%0.20842%0.424CS..Hα-helixtrans-60.9-46.7173.5166.9-105.8000112.5V48 T49 A51 Q55 F56 S57 M132 K133 Y136V48-W53 HydrophobicContact CG1-CB 3.57Å; V48-W53 HydrophobicContact CG1-CG 4.21Å; T49-W53 PolarHBondContact O-N 3.18Å; A51-W53 PolarHBondContact O-N 2.97Å; W53-Q55 VanDerWaalsContact C-N 3.35Å; W53-Q55 PolarHBondContact O-N 3.35Å; W53-F56 HydrophobicContact CZ3-CD1 4.35Å; W53-F56 PolarHBondContact O-N 3.13Å; W53-S57 WeakPolarHBondContact O-CB 3.42Å; W53-S57 PolarHBondContact O-N 2.91Å; W53-M132 HydrophobicContact CH2-CB 4.15Å; W53-M132 HydrophobicContact CH2-CG 3.68Å; W53-M132 HydrophobicContact CH2-SD 3.74Å; W53-M132 HydrophobicContact CZ2-SD 4.08Å; W53-M132 HydrophobicContact CZ3-CG 4.06Å; W53-M132 WeakPolarHBondContact CZ3-O 3.33Å; W53-M132 HydrophobicContact CZ3-SD 4.46Å; W53-K133 HydrophobicContact CH2-CB 4.29Å; W53-K133 HydrophobicContact CH2-CG 3.59Å; W53-K133 HydrophobicContact CZ2-CG 4.14Å; W53-K133 HydrophobicContact CZ3-CB 4.49Å; W53-K133 HydrophobicContact CZ3-CG 4.18Å; W53-Y136 HydrophobicContact CB-CE2 4.48Å; W53-Y136 AromaticContact CE3-CD1 3.97Å; W53-Y136 HydrophobicContact CE3-CD1 3.97Å; W53-Y136 HydrophobicContact CE3-CD2 4.02Å; W53-Y136 AromaticContact CE3-CG 3.62Å; W53-Y136 HydrophobicContact CE3-CG 3.62Å; W53-Y136 HydrophobicContact CZ3-CG 4.04Å
54K87.3Confident79.3Confident128 Ų12882 Ų8256%0.55744%0.44SS*.Hα-helixtrans-60.6-44.2176.7-78.2173177.9-1800111.7L50 A51 S57 E58L50-K54 HydrophobicContact CG-CD 4.32Å; L50-K54 WeakPolarHBondContact O-CB 3.46Å; L50-K54 WeakPolarHBondContact O-CD 3.23Å; L50-K54 VanDerWaalsContact O-CG 3.23Å; L50-K54 WeakPolarHBondContact O-CG 3.34Å; L50-K54 PolarHBondContact O-N 3.14Å; A51-K54 PolarHBondContact O-N 2.91Å; K54-S57 PolarHBondContact O-N 3.39Å; K54-E58 WeakPolarHBondContact O-CB 3.46Å; K54-E58 PolarHBondContact O-N 3.47Å
55Q88.2Confident81Confident79 Ų7977.9 Ų77.937%0.36942%0.421SS..Hα-helixtrans-63-44.9178.1-175.2177.514.500112A51 H52 W53 E58 Y59A51-Q55 PolarHBondContact O-N 2.98Å; H52-Q55 PolarHBondContact O-N 3.4Å; W53-Q55 VanDerWaalsContact C-N 3.35Å; W53-Q55 PolarHBondContact O-N 3.35Å; Q55-E58 PolarHBondContact O-N 3Å; Q55-Y59 HydrophobicContact CG-CD2 3.95Å; Q55-Y59 HydrophobicContact CG-CE2 3.38Å; Q55-Y59 PolarHBondContact NE2-OH 2.89Å; Q55-Y59 WeakPolarHBondContact O-CD2 3.41Å; Q55-Y59 VanDerWaalsContact O-CG 3.29Å; Q55-Y59 PolarHBondContact O-N 3.07Å
56F90.3Very high82.7Confident6 Ų681.2 Ų81.23%0.02642%0.416CS..Hα-helixtrans-61.5-45.3174.3176.2-102.1000112H52 W53 E58 Y59 Y60 M132 L135 Y136 F139 Y140 F341H52-F56 WeakPolarHBondContact O-CB 3.43Å; H52-F56 PolarHBondContact O-N 3.35Å; W53-F56 HydrophobicContact CZ3-CD1 4.35Å; W53-F56 PolarHBondContact O-N 3.13Å; F56-E58 VanDerWaalsContact C-N 3.35Å; F56-E58 PolarHBondContact O-N 3.25Å; F56-Y59 PolarHBondContact O-N 3.18Å; F56-Y60 HydrophobicContact CE1-CD2 4.46Å; F56-Y60 HydrophobicContact CZ-CD2 4.2Å; F56-Y60 VanDerWaalsContact O-CB 3.32Å; F56-Y60 WeakPolarHBondContact O-CB 3.46Å; F56-Y60 PolarHBondContact O-N 3.1Å; F56-M132 HydrophobicContact CD1-CG 4.24Å; F56-M132 HydrophobicContact CE1-CG 3.83Å; F56-L135 HydrophobicContact CE1-CB 4.43Å; F56-L135 HydrophobicContact CZ-CB 4.06Å; F56-Y136 HydrophobicContact CB-CD2 3.73Å; F56-Y136 HydrophobicContact CB-CE2 4.18Å; F56-Y136 AromaticContact CD1-CD2 3.83Å; F56-Y136 HydrophobicContact CD1-CD2 3.83Å; F56-Y136 HydrophobicContact CD1-CG 4.27Å; F56-Y136 AromaticContact CG-CD2 3.77Å; F56-Y136 HydrophobicContact CG-CD2 3.77Å; F56-F139 HydrophobicContact CE2-CD2 4.45Å; F56-Y140 HydrophobicContact CD2-CD2 4.4Å; F56-Y140 AromaticContact CD2-CE2 3.59Å; F56-Y140 HydrophobicContact CD2-CE2 3.59Å; F56-Y140 AromaticContact CE2-CE2 3.97Å; F56-Y140 HydrophobicContact CE2-CE2 3.97Å; F56-Y140 HydrophobicContact CG-CE2 4.33Å; F56-F341 AromaticContact CD2-CE1 3.65Å; F56-F341 HydrophobicContact CD2-CE1 3.65Å; F56-F341 AromaticContact CD2-CZ 3.87Å; F56-F341 HydrophobicContact CD2-CZ 3.87Å; F56-F341 HydrophobicContact CE2-CD1 4.22Å; F56-F341 AromaticContact CE2-CE1 3.57Å; F56-F341 HydrophobicContact CE2-CE1 3.57Å; F56-F341 HydrophobicContact CE2-CE2 4.35Å; F56-F341 AromaticContact CE2-CZ 3.64Å; F56-F341 HydrophobicContact CE2-CZ 3.64Å
57S90.3Very high84.1Confident35 Ų3581.1 Ų81.125%0.24541%0.413CS..Hα-helixtrans-61.5-42.6178.3-170.10000111.9W53 K54 S61 M132W53-S57 WeakPolarHBondContact O-CB 3.42Å; W53-S57 PolarHBondContact O-N 2.91Å; K54-S57 PolarHBondContact O-N 3.39Å; S57-S61 WeakPolarHBondContact O-CB 3.34Å; S57-S61 PolarHBondContact O-N 2.99Å; S57-S61 PolarHBondContact O-OG 2.84Å; S57-M132 PolarHBondContact OG-SD 3.13Å
58E90.6Very high85.7Confident100 Ų10073.7 Ų73.747%0.46737%0.373SS..Hα-helixtrans-61.4-48.4175-176178171.700111.3K54 Q55 F56 S61 K62K54-E58 WeakPolarHBondContact O-CB 3.46Å; K54-E58 PolarHBondContact O-N 3.47Å; Q55-E58 PolarHBondContact O-N 3Å; F56-E58 VanDerWaalsContact C-N 3.35Å; F56-E58 PolarHBondContact O-N 3.25Å; E58-S61 PolarHBondContact O-N 3.41Å; E58-S61 PolarHBondContact O-OG 2.9Å; E58-K62 HydrophobicContact CG-CD 4.36Å; E58-K62 WeakPolarHBondContact O-CG 3.49Å; E58-K62 PolarHBondContact O-N 3.09Å; E58-K62 WeakPolarHBondContact OE1-CE 3.45Å; E58-K62 IonicContact OE1-NZ 2.61Å; E58-K62 PolarHBondContact OE1-NZ 3.34Å
59Y90.1Very high86.8Confident16 Ų1674.2 Ų74.26%0.06337%0.374CS..Hα-helixtrans-64.5-43178.8-67.4-29000113Q55 F56 S61 K62 L63 V345Q55-Y59 HydrophobicContact CG-CD2 3.95Å; Q55-Y59 HydrophobicContact CG-CE2 3.38Å; Q55-Y59 PolarHBondContact NE2-OH 2.89Å; Q55-Y59 WeakPolarHBondContact O-CD2 3.41Å; Q55-Y59 VanDerWaalsContact O-CG 3.29Å; Q55-Y59 PolarHBondContact O-N 3.07Å; F56-Y59 PolarHBondContact O-N 3.18Å; Y59-S61 VanDerWaalsContact C-N 3.32Å; Y59-S61 PolarHBondContact O-N 2.92Å; Y59-K62 PolarHBondContact O-N 2.71Å; Y59-L63 PolarHBondContact O-N 3.27Å; Y59-V345 HydrophobicContact CD1-CG1 3.72Å; Y59-V345 HydrophobicContact CD2-CG1 3.74Å; Y59-V345 HydrophobicContact CE1-CG1 4Å; Y59-V345 HydrophobicContact CE2-CG1 4Å; Y59-V345 HydrophobicContact CG-CG1 3.6Å; Y59-V345 HydrophobicContact CG-CG2 4.24Å
60Y90.1Very high87.7Confident32 Ų3276.4 Ų76.413%0.12538%0.381CS..Hα-helixtrans-58.2-44.9174.5-174.1-77.8000111.1F56 K62 L63 L68 F72 L129 M132 L135F56-Y60 HydrophobicContact CE1-CD2 4.46Å; F56-Y60 HydrophobicContact CZ-CD2 4.2Å; F56-Y60 VanDerWaalsContact O-CB 3.32Å; F56-Y60 WeakPolarHBondContact O-CB 3.46Å; F56-Y60 PolarHBondContact O-N 3.1Å; Y60-K62 VanDerWaalsContact C-N 3.27Å; Y60-K62 PolarHBondContact O-N 2.85Å; Y60-L63 PolarHBondContact O-N 3.3Å; Y60-L68 HydrophobicContact CD1-CD1 4.29Å; Y60-L68 HydrophobicContact CD2-CD2 4.04Å; Y60-L68 HydrophobicContact CE1-CD1 3.95Å; Y60-L68 HydrophobicContact CE2-CD1 4.27Å; Y60-L68 HydrophobicContact CE2-CD2 4.21Å; Y60-L68 HydrophobicContact CG-CD2 4.35Å; Y60-F72 HydrophobicContact CD2-CE2 4.22Å; Y60-F72 HydrophobicContact CD2-CZ 4.18Å; Y60-F72 AromaticContact CE2-CE2 3.82Å; Y60-F72 HydrophobicContact CE2-CE2 3.82Å; Y60-F72 HydrophobicContact CE2-CZ 4.19Å; Y60-L129 PolarHBondContact OH-O 3.47Å; Y60-L129 VanDerWaalsContact OH-O 3.1Å; Y60-M132 HydrophobicContact CD1-CE 3.51Å; Y60-M132 HydrophobicContact CE1-CE 4.07Å; Y60-M132 HydrophobicContact CG-CE 4.01Å; Y60-L135 HydrophobicContact CD2-CD1 4.38Å; Y60-L135 HydrophobicContact CE2-CD1 3.57Å
61S89.9Confident88.5Confident86 Ų8671.4 Ų71.460%0.60136%0.355SS*.Hα-helixtrans-70-17.4-178.671.50000115S57 E58 Y59S57-S61 WeakPolarHBondContact O-CB 3.34Å; S57-S61 PolarHBondContact O-N 2.99Å; S57-S61 PolarHBondContact O-OG 2.84Å; E58-S61 PolarHBondContact O-N 3.41Å; E58-S61 PolarHBondContact O-OG 2.9Å; Y59-S61 VanDerWaalsContact C-N 3.32Å; Y59-S61 PolarHBondContact O-N 2.92Å
62K89.4Confident89.2Confident106 Ų10668.5 Ų68.546%0.46133%0.331SS..Hα-helixtrans-87-24.2178.3-74.3173.8-177.5175.20113.8E58 Y59 Y60 M348E58-K62 HydrophobicContact CG-CD 4.36Å; E58-K62 WeakPolarHBondContact O-CG 3.49Å; E58-K62 PolarHBondContact O-N 3.09Å; E58-K62 WeakPolarHBondContact OE1-CE 3.45Å; E58-K62 IonicContact OE1-NZ 2.61Å; E58-K62 PolarHBondContact OE1-NZ 3.34Å; Y59-K62 PolarHBondContact O-N 2.71Å; Y60-K62 VanDerWaalsContact C-N 3.27Å; Y60-K62 PolarHBondContact O-N 2.85Å; K62-M348 HydrophobicContact CB-CE 3.73Å; K62-M348 HydrophobicContact CB-SD 4Å; K62-M348 HydrophobicContact CD-CE 4.12Å; K62-M348 HydrophobicContact CD-SD 4.27Å
63L89.3Confident89.9Confident14 Ų1466.4 Ų66.47%0.07332%0.322CS..SBendtrans-83.3139.8177.5-68.8171.9000110.3Y59 Y60 D67 L68 F341 V345 M348Y59-L63 PolarHBondContact O-N 3.27Å; Y60-L63 PolarHBondContact O-N 3.3Å; L63-D67 HydrophobicContact CB-CB 4.32Å; L63-D67 HydrophobicContact CD2-CB 4.13Å; L63-L68 HydrophobicContact CB-CD2 3.65Å; L63-L68 HydrophobicContact CB-CG 3.74Å; L63-L68 HydrophobicContact CD1-CD2 3.83Å; L63-L68 HydrophobicContact CG-CD2 4.39Å; L63-F341 HydrophobicContact CD1-CD2 4.13Å; L63-F341 HydrophobicContact CD1-CE2 3.84Å; L63-V345 HydrophobicContact CD1-CG2 3.9Å; L63-M348 HydrophobicContact CD2-CB 3.76Å; L63-M348 HydrophobicContact CD2-CG 3.96Å
64K88.9Confident90.4Very high151 Ų15164 Ų6466%0.65731%0.313SS*.  trans-75.1160.2175.8-54.9167-174.6163.50109.4Q66 D67 L68K64-Q66 PolarHBondContact O-N 3.19Å; K64-Q66 VanDerWaalsContact O-N 3.09Å; K64-D67 VanDerWaalsContact CB-OD2 3.24Å; K64-D67 WeakPolarHBondContact CB-OD2 3.34Å; K64-D67 WeakPolarHBondContact CG-OD2 3.43Å; K64-D67 PolarHBondContact N-OD2 3.48Å; K64-D67 WeakPolarHBondContact O-CA 3.23Å; K64-D67 PolarHBondContact O-N 2.95Å; K64-L68 PolarHBondContact O-N 3.2Å
65Q86.5Confident90.8Very high114 Ų11459 Ų5953%0.53330%0.295SS..Hα-helixtrans-55.2-33.7178.2-167.66357.200113.6N69Q65-N69 PolarHBondContact NE2-OD1 2.91Å; Q65-N69 VanDerWaalsContact O-CB 3.3Å; Q65-N69 WeakPolarHBondContact O-CB 3.28Å; Q65-N69 PolarHBondContact O-N 3.26Å; Q65-N69 PolarHBondContact O-ND2 2.87Å; Q65-N69 PolarHBondContact O-OD1 2.9Å
66Q87.5Confident91.2Very high148 Ų14857.1 Ų57.169%0.69229%0.29SS*.Hα-helixtrans-67.1-44.9174.2-71.6177.1-27.100111.9K64 N69 I70K64-Q66 PolarHBondContact O-N 3.19Å; K64-Q66 VanDerWaalsContact O-N 3.09Å; Q66-N69 PolarHBondContact O-N 3.19Å; Q66-I70 WeakPolarHBondContact O-CG1 3.47Å; Q66-I70 PolarHBondContact O-N 3.04Å
67D89.4Confident91.5Very high66 Ų6666.9 Ų66.935%0.35333%0.327SS..Hα-helixtrans-66.1-41177.9-51.5-49.5000111L63 K64 I70 A71L63-D67 HydrophobicContact CB-CB 4.32Å; L63-D67 HydrophobicContact CD2-CB 4.13Å; K64-D67 VanDerWaalsContact CB-OD2 3.24Å; K64-D67 WeakPolarHBondContact CB-OD2 3.34Å; K64-D67 WeakPolarHBondContact CG-OD2 3.43Å; K64-D67 PolarHBondContact N-OD2 3.48Å; K64-D67 WeakPolarHBondContact O-CA 3.23Å; K64-D67 PolarHBondContact O-N 2.95Å; D67-I70 PolarHBondContact O-N 3.29Å; D67-A71 VanDerWaalsContact O-CB 3.23Å; D67-A71 WeakPolarHBondContact O-CB 3.22Å; D67-A71 PolarHBondContact O-N 2.96Å
68L89.4Confident91.7Very high5 Ų569.3 Ų69.33%0.02633%0.334CS..Hα-helixtrans-61.8-42173-70.6173.1000112.3Y60 L63 K64 I70 A71 F72 F341Y60-L68 HydrophobicContact CD1-CD1 4.29Å; Y60-L68 HydrophobicContact CD2-CD2 4.04Å; Y60-L68 HydrophobicContact CE1-CD1 3.95Å; Y60-L68 HydrophobicContact CE2-CD1 4.27Å; Y60-L68 HydrophobicContact CE2-CD2 4.21Å; Y60-L68 HydrophobicContact CG-CD2 4.35Å; L63-L68 HydrophobicContact CB-CD2 3.65Å; L63-L68 HydrophobicContact CB-CG 3.74Å; L63-L68 HydrophobicContact CD1-CD2 3.83Å; L63-L68 HydrophobicContact CG-CD2 4.39Å; K64-L68 PolarHBondContact O-N 3.2Å; L68-I70 PolarHBondContact O-N 3.39Å; L68-A71 PolarHBondContact O-N 3.18Å; L68-F72 HydrophobicContact CB-CD2 4.45Å; L68-F72 HydrophobicContact CB-CE2 4.35Å; L68-F72 HydrophobicContact CD2-CE2 3.88Å; L68-F72 HydrophobicContact CD2-CZ 4.35Å; L68-F72 WeakPolarHBondContact O-CD2 3.43Å; L68-F72 PolarHBondContact O-N 3.31Å; L68-F341 HydrophobicContact CD2-CE2 4.19Å
69N89.2Confident92Very high72 Ų7264.6 Ų64.639%0.38531%0.312SS..Hα-helixtrans-66.1-25177.7-71.5-8.2000112.8Q65 Q66 M73Q65-N69 PolarHBondContact NE2-OD1 2.91Å; Q65-N69 VanDerWaalsContact O-CB 3.3Å; Q65-N69 WeakPolarHBondContact O-CB 3.28Å; Q65-N69 PolarHBondContact O-N 3.26Å; Q65-N69 PolarHBondContact O-ND2 2.87Å; Q65-N69 PolarHBondContact O-OD1 2.9Å; Q66-N69 PolarHBondContact O-N 3.19Å; N69-M73 WeakPolarHBondContact O-CE 3.46Å
70I91.3Very high92.3Very high119 Ų11966.9 Ų66.961%0.6132%0.321SS*.Hα-helixtrans-83.3-45.9173.3-65.6163.8000110Q66 D67 L68 F72 M73Q66-I70 WeakPolarHBondContact O-CG1 3.47Å; Q66-I70 PolarHBondContact O-N 3.04Å; D67-I70 PolarHBondContact O-N 3.29Å; L68-I70 PolarHBondContact O-N 3.39Å; I70-F72 PolarHBondContact O-N 3.37Å; I70-M73 PolarHBondContact O-N 3.01Å
71A93.6Very high92.6Very high1 Ų168 Ų681%0.00833%0.333CS..Hα-helixtrans-57.2-33.1176.700000113.7D67 L68 M73 S340 F341 A344D67-A71 VanDerWaalsContact O-CB 3.23Å; D67-A71 WeakPolarHBondContact O-CB 3.22Å; D67-A71 PolarHBondContact O-N 2.96Å; L68-A71 PolarHBondContact O-N 3.18Å; A71-M73 VanDerWaalsContact C-N 3.35Å; A71-S340 CarbonylContact O-C 3.59Å; A71-S340 VanDerWaalsContact O-CB 3.25Å; A71-S340 WeakPolarHBondContact O-CB 3.4Å; A71-S340 PolarHBondContact O-OG 2.99Å; A71-F341 HydrophobicContact CB-CB 4.34Å; A71-F341 HydrophobicContact CB-CD2 4.28Å; A71-F341 PolarHBondContact O-N 2.84Å; A71-A344 HydrophobicContact CB-CB 3.74Å
72F94.9Very high92.8Very high2 Ų264.5 Ų64.51%0.00931%0.31CS..THydrogen-bonded Turntrans-100.236.1174.1-54.7-49.8000112.6Y60 L68 I70 T123 L129 L135 F139 L337 F341Y60-F72 HydrophobicContact CD2-CE2 4.22Å; Y60-F72 HydrophobicContact CD2-CZ 4.18Å; Y60-F72 AromaticContact CE2-CE2 3.82Å; Y60-F72 HydrophobicContact CE2-CE2 3.82Å; Y60-F72 HydrophobicContact CE2-CZ 4.19Å; L68-F72 HydrophobicContact CB-CD2 4.45Å; L68-F72 HydrophobicContact CB-CE2 4.35Å; L68-F72 HydrophobicContact CD2-CE2 3.88Å; L68-F72 HydrophobicContact CD2-CZ 4.35Å; L68-F72 WeakPolarHBondContact O-CD2 3.43Å; L68-F72 PolarHBondContact O-N 3.31Å; I70-F72 PolarHBondContact O-N 3.37Å; F72-T123 WeakPolarHBondContact O-CA 3.32Å; F72-T123 WeakPolarHBondContact O-CB 3.32Å; F72-T123 PolarHBondContact O-OG1 3.39Å; F72-L129 HydrophobicContact CB-CD2 3.76Å; F72-L129 HydrophobicContact CD2-CD2 3.57Å; F72-L129 HydrophobicContact CE2-CD2 4.42Å; F72-L129 HydrophobicContact CG-CD2 3.9Å; F72-L135 HydrophobicContact CE2-CD1 4.04Å; F72-L135 HydrophobicContact CZ-CD1 4.2Å; F72-F139 AromaticContact CD1-CE2 3.76Å; F72-F139 HydrophobicContact CD1-CE2 3.76Å; F72-F139 AromaticContact CD1-CZ 3.66Å; F72-F139 HydrophobicContact CD1-CZ 3.66Å; F72-F139 HydrophobicContact CE1-CD2 4.29Å; F72-F139 AromaticContact CE1-CE2 3.34Å; F72-F139 HydrophobicContact CE1-CE2 3.34Å; F72-F139 AromaticContact CE1-CZ 3.77Å; F72-F139 HydrophobicContact CE1-CZ 3.77Å; F72-F139 HydrophobicContact CZ-CE2 4.12Å; F72-L337 VanDerWaalsContact C-CD2 3.41Å; F72-L337 WeakPolarHBondContact O-CD2 3.42Å; F72-F341 HydrophobicContact CD1-CB 4.11Å; F72-F341 HydrophobicContact CD1-CD2 4.44Å; F72-F341 HydrophobicContact CE1-CB 3.62Å; F72-F341 AromaticContact CE1-CD2 3.44Å; F72-F341 HydrophobicContact CE1-CD2 3.44Å; F72-F341 VanDerWaalsContact CE1-CD2 3.44Å; F72-F341 HydrophobicContact CE1-CE2 4.26Å; F72-F341 AromaticContact CE1-CG 3.66Å; F72-F341 HydrophobicContact CE1-CG 3.66Å; F72-F341 HydrophobicContact CE2-CD2 4.37Å; F72-F341 HydrophobicContact CZ-CB 4.47Å; F72-F341 AromaticContact CZ-CD2 3.4Å; F72-F341 HydrophobicContact CZ-CD2 3.4Å; F72-F341 VanDerWaalsContact CZ-CD2 3.4Å; F72-F341 AromaticContact CZ-CE2 3.82Å; F72-F341 HydrophobicContact CZ-CE2 3.82Å; F72-F341 HydrophobicContact CZ-CG 4.08Å
73M95.4Very high93.1Very high60 Ų6059.5 Ų59.530%0.29629%0.288SS..EExtended strand (participates in β ladder)trans-136.2138.9168.8-155.2171.5-40.900110.3N69 I70 A71 M121 L122 S340N69-M73 WeakPolarHBondContact O-CE 3.46Å; I70-M73 PolarHBondContact O-N 3.01Å; A71-M73 VanDerWaalsContact C-N 3.35Å; M73-M121 HydrophobicContact CG-CB 4.16Å; M73-M121 HydrophobicContact CG-SD 4.45Å; M73-M121 HydrophobicContact SD-CB 3.99Å; M73-M121 HydrophobicContact SD-CG 4.28Å; M73-M121 HydrophobicContact SD-SD 4.41Å; M73-L122 WeakPolarHBondContact CA-O 3.38Å; M73-S340 PolarHBondContact O-OG 2.97Å
74V97.1Very high93.4Very high4 Ų461.6 Ų61.62%0.02430%0.304CS..EExtended strand (participates in β ladder)trans-139.2146.6171.9-64.80000110.2E78 V79 L122 A336 L337V74-E78 HydrophobicContact CB-CB 4.35Å; V74-V79 HydrophobicContact CG2-CG2 3.91Å; V74-L122 HydrophobicContact CG2-CB 3.89Å; V74-L122 HydrophobicContact CG2-CD2 4.16Å; V74-L122 HydrophobicContact CG2-CG 4.38Å; V74-L122 PolarHBondContact N-O 3.36Å; V74-L122 PolarHBondContact O-N 3.23Å; V74-A336 HydrophobicContact CG1-CB 4.43Å; V74-A336 HydrophobicContact CG2-CB 4.1Å; V74-L337 HydrophobicContact CG1-CD2 4.32Å; V74-L337 HydrophobicContact CG2-CD2 4.09Å; V74-L337 HydrophobicContact CG2-CG 4.21Å
75S96.4Very high93.6Very high24 Ų2461.3 Ų61.317%0.16831%0.305CS..EExtended strand (participates in β ladder)trans-82.4158.6178.566.50000112.6R77 E78 V79 G120S75-R77 PolarHBondContact O-N 3.15Å; S75-E78 VanDerWaalsContact CB-OE2 3.3Å; S75-E78 WeakPolarHBondContact CB-OE2 3.25Å; S75-E78 PolarHBondContact N-OE2 3.3Å; S75-E78 PolarHBondContact O-N 2.84Å; S75-E78 PolarHBondContact OG-N 2.89Å; S75-E78 PolarHBondContact OG-OE2 2.9Å; S75-V79 PolarHBondContact O-N 2.79Å; S75-G120 CarbonylContact C-O 3.58Å
76S95.9Very high93.8Very high39 Ų3958.1 Ų58.127%0.27329%0.292SS..Hα-helixtrans-49.3-39.2169.958.10000112.6E78 V79 Y80 G120S76-E78 VanDerWaalsContact C-N 3.33Å; S76-E78 PolarHBondContact O-N 2.85Å; S76-V79 PolarHBondContact O-N 3.05Å; S76-Y80 WeakPolarHBondContact O-CB 3.48Å; S76-Y80 PolarHBondContact O-N 3.23Å; S76-G120 PolarHBondContact N-O 3.26Å
77R95.6Very high94Very high210 Ų21051.3 Ų51.379%0.79226%0.26SS*.Hα-helixtrans-60.7-39.2176.5-173.7-179.8-178.1-176.62.2112.5S75 S81S75-R77 PolarHBondContact O-N 3.15Å; R77-S81 WeakPolarHBondContact O-CB 3.41Å; R77-S81 PolarHBondContact O-N 2.66Å
78E95.9Very high94Very high87 Ų8751 Ų5141%0.40726%0.262SS..Hα-helixtrans-73.8-41.8178.3-70158.5110.600111.2V74 S75 S76 S81 A82V74-E78 HydrophobicContact CB-CB 4.35Å; S75-E78 VanDerWaalsContact CB-OE2 3.3Å; S75-E78 WeakPolarHBondContact CB-OE2 3.25Å; S75-E78 PolarHBondContact N-OE2 3.3Å; S75-E78 PolarHBondContact O-N 2.84Å; S75-E78 PolarHBondContact OG-N 2.89Å; S75-E78 PolarHBondContact OG-OE2 2.9Å; S76-E78 VanDerWaalsContact C-N 3.33Å; S76-E78 PolarHBondContact O-N 2.85Å; E78-S81 PolarHBondContact O-N 2.87Å; E78-A82 WeakPolarHBondContact O-CB 3.35Å; E78-A82 PolarHBondContact O-N 2.93Å
79V95.9Very high94.1Very high0 Ų051.1 Ų51.10%026%0.263CS..Hα-helixtrans-59.3-49.7173.5178.20000110.7V74 S75 S76 S81 A82 L83 F100 L122 L329 L332V74-V79 HydrophobicContact CG2-CG2 3.91Å; S75-V79 PolarHBondContact O-N 2.79Å; S76-V79 PolarHBondContact O-N 3.05Å; V79-S81 PolarHBondContact O-N 3.37Å; V79-A82 PolarHBondContact O-N 3.4Å; V79-L83 VanDerWaalsContact O-CB 3.31Å; V79-L83 WeakPolarHBondContact O-CB 3.42Å; V79-L83 PolarHBondContact O-N 3.47Å; V79-F100 HydrophobicContact CG2-CE2 4.44Å; V79-L122 HydrophobicContact CG2-CB 4.4Å; V79-L122 HydrophobicContact CG2-CD2 3.93Å; V79-L329 HydrophobicContact CG1-CD1 4.31Å; V79-L332 HydrophobicContact CG1-CD2 4.12Å
80Y96.3Very high94.2Very high65 Ų6551.2 Ų51.226%0.25527%0.266SS..Hα-helixtrans-68.3-33.2179.5-61.2-12.1000112.2S76 L83 S84 E97 F100 S101S76-Y80 WeakPolarHBondContact O-CB 3.48Å; S76-Y80 PolarHBondContact O-N 3.23Å; Y80-L83 PolarHBondContact O-N 3.19Å; Y80-S84 WeakPolarHBondContact O-CB 3.49Å; Y80-S84 PolarHBondContact O-N 3.47Å; Y80-E97 HydrophobicContact CD1-CG 4.13Å; Y80-E97 HydrophobicContact CE1-CB 4.47Å; Y80-E97 HydrophobicContact CE1-CG 4.13Å; Y80-E97 HydrophobicContact CG-CG 4.48Å; Y80-E97 PolarHBondContact OH-O 2.77Å; Y80-F100 HydrophobicContact CE1-CB 4.17Å; Y80-F100 AromaticContact CE1-CD1 3.91Å; Y80-F100 HydrophobicContact CE1-CD1 3.91Å; Y80-F100 HydrophobicContact CE1-CG 4.16Å; Y80-F100 AromaticContact CZ-CD1 3.95Å; Y80-F100 WeakPolarHBondContact OH-CD1 3.44Å; Y80-S101 PolarHBondContact OH-OG 3.07Å; Y80-S101 VanDerWaalsContact OH-OG 3.08Å
81S96.4Very high94.2Very high54 Ų5446.5 Ų46.538%0.37825%0.247SC..Hα-helixtrans-62.7-49.3171.8-1700000111.3R77 E78 V79 L83 S84 Q85R77-S81 WeakPolarHBondContact O-CB 3.41Å; R77-S81 PolarHBondContact O-N 2.66Å; E78-S81 PolarHBondContact O-N 2.87Å; V79-S81 PolarHBondContact O-N 3.37Å; S81-L83 PolarHBondContact O-N 2.93Å; S81-S84 PolarHBondContact O-N 3.45Å; S81-S84 PolarHBondContact O-OG 2.66Å; S81-Q85 WeakPolarHBondContact O-CG 3.38Å; S81-Q85 PolarHBondContact O-N 2.97Å; S81-Q85 PolarHBondContact O-NE2 3.45Å; S81-Q85 PolarHBondContact OG-NE2 3.49Å; S81-Q85 VanDerWaalsContact OG-NE2 3.15Å
82A94.7Very high94.2Very high14 Ų1446.5 Ų46.512%0.11625%0.247CC..Hα-helixtrans-63-41.8176.800000112E78 V79 S84 Q85 L86 L332E78-A82 WeakPolarHBondContact O-CB 3.35Å; E78-A82 PolarHBondContact O-N 2.93Å; V79-A82 PolarHBondContact O-N 3.4Å; A82-S84 VanDerWaalsContact C-N 3.33Å; A82-S84 PolarHBondContact O-N 3.17Å; A82-Q85 PolarHBondContact O-N 2.69Å; A82-L86 WeakPolarHBondContact O-CB 3.35Å; A82-L86 WeakPolarHBondContact O-CG 3.32Å; A82-L86 PolarHBondContact O-N 2.93Å; A82-L332 HydrophobicContact CB-CD1 3.76Å
83L96.1Very high94.2Very high0 Ų049.5 Ų49.50%026%0.258CS..Hα-helixtrans-55.9-45.4173.8-176.962.2000112V79 Y80 S81 Q85 V87 R93 V96 E97 I328 L332V79-L83 VanDerWaalsContact O-CB 3.31Å; V79-L83 WeakPolarHBondContact O-CB 3.42Å; V79-L83 PolarHBondContact O-N 3.47Å; Y80-L83 PolarHBondContact O-N 3.19Å; S81-L83 PolarHBondContact O-N 2.93Å; L83-Q85 VanDerWaalsContact C-N 3.28Å; L83-Q85 PolarHBondContact O-N 2.84Å; L83-V87 HydrophobicContact CD1-CB 4.05Å; L83-V87 HydrophobicContact CD1-CG2 3.78Å; L83-V87 WeakPolarHBondContact O-CB 3.5Å; L83-V87 PolarHBondContact O-N 3.27Å; L83-R93 HydrophobicContact CD1-CB 4.47Å; L83-R93 HydrophobicContact CD1-CG 4.14Å; L83-R93 HydrophobicContact CD2-CB 4.13Å; L83-R93 HydrophobicContact CG-CB 4.06Å; L83-R93 HydrophobicContact CG-CG 3.91Å; L83-R93 WeakPolarHBondContact O-CD 3.3Å; L83-V96 HydrophobicContact CD1-CB 4.01Å; L83-V96 HydrophobicContact CD1-CG1 3.87Å; L83-V96 HydrophobicContact CD1-CG2 4.29Å; L83-V96 HydrophobicContact CD2-CB 3.95Å; L83-V96 HydrophobicContact CD2-CG1 3.74Å; L83-V96 HydrophobicContact CG-CG1 4.44Å; L83-E97 HydrophobicContact CD2-CG 3.76Å; L83-I328 HydrophobicContact CD1-CG2 4.25Å; L83-L332 HydrophobicContact CB-CD2 3.66Å; L83-L332 HydrophobicContact CD1-CD2 3.87Å; L83-L332 HydrophobicContact CG-CD2 4.32Å
84S94.6Very high94.2Very high58 Ų5855 Ų5541%0.40628%0.275SS..Hα-helixtrans-63.4-32.7-179.678.80000113.2Y80 S81 A82 R93Y80-S84 WeakPolarHBondContact O-CB 3.49Å; Y80-S84 PolarHBondContact O-N 3.47Å; S81-S84 PolarHBondContact O-N 3.45Å; S81-S84 PolarHBondContact O-OG 2.66Å; A82-S84 VanDerWaalsContact C-N 3.33Å; A82-S84 PolarHBondContact O-N 3.17Å; S84-R93 PolarHBondContact O-NH1 2.96Å
85Q93.1Very high94.2Very high145 Ų14555.2 Ų55.268%0.67828%0.277SS*.Hα-helixtrans-84.6-41.4-177.6-66.2169.335.800112.5S81 A82 L83S81-Q85 WeakPolarHBondContact O-CG 3.38Å; S81-Q85 PolarHBondContact O-N 2.97Å; S81-Q85 PolarHBondContact O-NE2 3.45Å; S81-Q85 PolarHBondContact OG-NE2 3.49Å; S81-Q85 VanDerWaalsContact OG-NE2 3.15Å; A82-Q85 PolarHBondContact O-N 2.69Å; L83-Q85 VanDerWaalsContact C-N 3.28Å; L83-Q85 PolarHBondContact O-N 2.84Å
86L91.8Very high94.2Very high48 Ų4854.1 Ų54.125%0.25127%0.269SS..Hα-helixtrans-91.2-33-171.1-62.9174.1000113.5A82 P88 L146 I150 L332A82-L86 WeakPolarHBondContact O-CB 3.35Å; A82-L86 WeakPolarHBondContact O-CG 3.32Å; A82-L86 PolarHBondContact O-N 2.93Å; L86-P88 WeakPolarHBondContact O-CD 3.4Å; L86-L146 HydrophobicContact CD1-CD2 3.87Å; L86-I150 HydrophobicContact CB-CD1 4.14Å; L86-L332 HydrophobicContact CD1-CD1 3.78Å
87V91.9Very high94.2Very high5 Ų555.1 Ų55.13%0.0327%0.27CS..  trans-101.2111.4-173.8178.80000111L83 C89 C92 R93 I150 I328L83-V87 HydrophobicContact CD1-CB 4.05Å; L83-V87 HydrophobicContact CD1-CG2 3.78Å; L83-V87 WeakPolarHBondContact O-CB 3.5Å; L83-V87 PolarHBondContact O-N 3.27Å; V87-C89 PolarHBondContact O-N 3.36Å; V87-C92 HydrophobicContact CG1-CB 3.73Å; V87-R93 HydrophobicContact CB-CG 3.97Å; V87-R93 HydrophobicContact CG1-CG 3.9Å; V87-R93 WeakPolarHBondContact O-CD 3.49Å; V87-R93 PolarHBondContact O-NH1 3.41Å; V87-I150 HydrophobicContact CG2-CD1 3.87Å; V87-I150 HydrophobicContact CG2-CG1 4.43Å; V87-I328 HydrophobicContact CG2-CG2 3.77Å
88P89.5Confident94.2Very high59 Ų5951.2 Ų51.238%0.38326%0.255SS..  trans-78.4-17.8-174.730.9-36.4000114.1L86L86-P88 WeakPolarHBondContact O-CD 3.4Å
89C90.9Very high94.1Very high7 Ų747.7 Ų47.75%0.04724%0.239CC..  trans-90.8112.9-178.9-179.50000111.2V87 G91 C92 R93 C162 H165V87-C89 PolarHBondContact O-N 3.36Å; C89-G91 PolarHBondContact O-N 2.86Å; C89-C92 HydrophobicContact CB-CB 4.18Å; C89-C92 PolarHBondContact O-N 2.97Å; C89-C92 VanDerWaalsContact O-N 3.09Å; C89-R93 PolarHBondContact O-N 2.83Å; C89-R93 VanDerWaalsContact O-N 3.13Å; C89-C162 PolarHBondContact SG-N 3.43Å; C89-H165 PolarHBondContact SG-CE1 3Å
90V91.1Very high94.1Very high74 Ų7447.7 Ų47.745%0.44824%0.239SC..Hα-helixtrans-56.6-35.4179.3-1750000112.8R93 R94V90-R93 PolarHBondContact O-N 2.62Å; V90-R94 PolarHBondContact O-N 3.03Å
91G91.6Very high94Very high21 Ų2146.6 Ų46.622%0.21624%0.241CC..Hα-helixtrans-62.4-47.4175.300000112.3C89 R93 R94 S95C89-G91 PolarHBondContact O-N 2.86Å; G91-R93 VanDerWaalsContact C-N 3.29Å; G91-R93 PolarHBondContact O-N 2.75Å; G91-R94 PolarHBondContact O-N 2.95Å; G91-S95 PolarHBondContact O-N 2.77Å; G91-S95 PolarHBondContact O-OG 2.95Å
92C93.6Very high93.7Very high1 Ų146.6 Ų46.61%0.00724%0.235CC..Hα-helixtrans-61-38.5176-57.50000111.9V87 C89 S95 V96 C162 H165 Q324 I328V87-C92 HydrophobicContact CG1-CB 3.73Å; C89-C92 HydrophobicContact CB-CB 4.18Å; C89-C92 PolarHBondContact O-N 2.97Å; C89-C92 VanDerWaalsContact O-N 3.09Å; C92-S95 PolarHBondContact O-N 3.45Å; C92-V96 WeakPolarHBondContact O-CB 3.29Å; C92-V96 VanDerWaalsContact O-CG2 3.28Å; C92-V96 WeakPolarHBondContact O-CG2 3.42Å; C92-V96 PolarHBondContact O-N 3.47Å; C92-C162 PolarHBondContact SG-SG 3.04Å; C92-H165 WeakPolarHBondContact CA-NE2 3.41Å; C92-H165 PolarHBondContact N-CE1 3.37Å; C92-H165 VanDerWaalsContact N-CE1 3.28Å; C92-H165 PolarHBondContact N-ND1 3.31Å; C92-H165 PolarHBondContact N-NE2 3.02Å; C92-H165 PolarHBondContact SG-CE1 3.3Å; C92-H165 PolarHBondContact SG-ND1 3.01Å; C92-H165 VanDerWaalsContact SG-ND1 3.36Å; C92-H165 PolarHBondContact SG-NE2 2.73Å; C92-Q324 PolarHBondContact SG-NE2 3.34Å; C92-I328 HydrophobicContact CB-CD1 3.94Å
93R95.1Very high93.5Very high65 Ų6546 Ų4625%0.24523%0.23CC..Hα-helixtrans-62.2-50.6176.2-60-158.7-59-139.48111.7L83 S84 V87 C89 V90 G91 S95 V96 E97L83-R93 HydrophobicContact CD1-CB 4.47Å; L83-R93 HydrophobicContact CD1-CG 4.14Å; L83-R93 HydrophobicContact CD2-CB 4.13Å; L83-R93 HydrophobicContact CG-CB 4.06Å; L83-R93 HydrophobicContact CG-CG 3.91Å; L83-R93 WeakPolarHBondContact O-CD 3.3Å; S84-R93 PolarHBondContact O-NH1 2.96Å; V87-R93 HydrophobicContact CB-CG 3.97Å; V87-R93 HydrophobicContact CG1-CG 3.9Å; V87-R93 WeakPolarHBondContact O-CD 3.49Å; V87-R93 PolarHBondContact O-NH1 3.41Å; C89-R93 PolarHBondContact O-N 2.83Å; C89-R93 VanDerWaalsContact O-N 3.13Å; V90-R93 PolarHBondContact O-N 2.62Å; G91-R93 VanDerWaalsContact C-N 3.29Å; G91-R93 PolarHBondContact O-N 2.75Å; R93-S95 VanDerWaalsContact C-N 3.32Å; R93-S95 PolarHBondContact O-N 2.83Å; R93-V96 PolarHBondContact O-N 2.86Å; R93-V96 VanDerWaalsContact O-N 3.14Å; R93-E97 WeakPolarHBondContact O-CB 3.3Å; R93-E97 VanDerWaalsContact O-CD 3.27Å; R93-E97 VanDerWaalsContact O-CG 3.27Å; R93-E97 WeakPolarHBondContact O-CG 3.21Å; R93-E97 PolarHBondContact O-N 3.36Å
94R95.4Very high93.4Very high175 Ų17547.9 Ų47.966%0.6624%0.241SC*.Hα-helixtrans-59.2-38.7176.8-73.9-176.9173-171.6-3.7113.2V90 G91 E97 R98V90-R94 PolarHBondContact O-N 3.03Å; G91-R94 PolarHBondContact O-N 2.95Å; R94-E97 WeakPolarHBondContact CA-OE2 3.23Å; R94-R98 WeakPolarHBondContact O-CB 3.38Å; R94-R98 PolarHBondContact O-N 3.45Å
95S95.4Very high93.2Very high9 Ų952.3 Ų52.36%0.06326%0.255CS..Hα-helixtrans-68.1-39.4175.8-60.30000112.3G91 C92 R93 R98 L99 T325G91-S95 PolarHBondContact O-N 2.77Å; G91-S95 PolarHBondContact O-OG 2.95Å; C92-S95 PolarHBondContact O-N 3.45Å; R93-S95 VanDerWaalsContact C-N 3.32Å; R93-S95 PolarHBondContact O-N 2.83Å; S95-R98 WeakPolarHBondContact O-CB 3.48Å; S95-R98 PolarHBondContact O-N 3.21Å; S95-R98 PolarHBondContact OG-NH2 2.71Å; S95-L99 WeakPolarHBondContact O-CB 3.23Å; S95-L99 PolarHBondContact O-N 3.3Å; S95-T325 WeakPolarHBondContact CB-OG1 3.45Å; S95-T325 WeakPolarHBondContact O-CG2 3.43Å
96V96.5Very high92.8Very high0 Ų048.9 Ų48.90%025%0.245CC..Hα-helixtrans-68-40.6175.71700000111.7L83 C92 R93 R98 L99 F100 T325 I328 L329L83-V96 HydrophobicContact CD1-CB 4.01Å; L83-V96 HydrophobicContact CD1-CG1 3.87Å; L83-V96 HydrophobicContact CD1-CG2 4.29Å; L83-V96 HydrophobicContact CD2-CB 3.95Å; L83-V96 HydrophobicContact CD2-CG1 3.74Å; L83-V96 HydrophobicContact CG-CG1 4.44Å; C92-V96 WeakPolarHBondContact O-CB 3.29Å; C92-V96 VanDerWaalsContact O-CG2 3.28Å; C92-V96 WeakPolarHBondContact O-CG2 3.42Å; C92-V96 PolarHBondContact O-N 3.47Å; R93-V96 PolarHBondContact O-N 2.86Å; R93-V96 VanDerWaalsContact O-N 3.14Å; V96-R98 VanDerWaalsContact C-N 3.33Å; V96-R98 PolarHBondContact O-N 3.48Å; V96-L99 PolarHBondContact O-N 2.7Å; V96-F100 VanDerWaalsContact O-CB 3.32Å; V96-F100 WeakPolarHBondContact O-CB 3.45Å; V96-F100 PolarHBondContact O-N 2.69Å; V96-T325 HydrophobicContact CG2-CG2 3.92Å; V96-I328 HydrophobicContact CG2-CB 3.98Å; V96-I328 HydrophobicContact CG2-CG2 3.74Å; V96-L329 HydrophobicContact CG1-CB 3.95Å; V96-L329 HydrophobicContact CG1-CD1 3.84Å; V96-L329 HydrophobicContact CG1-CG 4.32Å; V96-L329 HydrophobicContact CG2-CB 4.44Å
97E96.4Very high92.5Very high60 Ų6049 Ų4928%0.2826%0.257SS..Hα-helixtrans-59.3-43.1173.1-72.6151.4-163.800111.1Y80 L83 R93 R94 S101Y80-E97 HydrophobicContact CD1-CG 4.13Å; Y80-E97 HydrophobicContact CE1-CB 4.47Å; Y80-E97 HydrophobicContact CE1-CG 4.13Å; Y80-E97 HydrophobicContact CG-CG 4.48Å; Y80-E97 PolarHBondContact OH-O 2.77Å; L83-E97 HydrophobicContact CD2-CG 3.76Å; R93-E97 WeakPolarHBondContact O-CB 3.3Å; R93-E97 VanDerWaalsContact O-CD 3.27Å; R93-E97 VanDerWaalsContact O-CG 3.27Å; R93-E97 WeakPolarHBondContact O-CG 3.21Å; R93-E97 PolarHBondContact O-N 3.36Å; R94-E97 WeakPolarHBondContact CA-OE2 3.23Å; E97-S101 WeakPolarHBondContact O-CB 3.36Å; E97-S101 PolarHBondContact O-N 3.08Å; E97-S101 PolarHBondContact O-OG 3.02Å
98R95.2Very high92.1Very high129 Ų12949.9 Ų49.949%0.48726%0.261SS..Hα-helixtrans-63-53.3174.8-166-151-44.5117.52.8112R94 S95 V96 F100 S101 H102 E322R94-R98 WeakPolarHBondContact O-CB 3.38Å; R94-R98 PolarHBondContact O-N 3.45Å; S95-R98 WeakPolarHBondContact O-CB 3.48Å; S95-R98 PolarHBondContact O-N 3.21Å; S95-R98 PolarHBondContact OG-NH2 2.71Å; V96-R98 VanDerWaalsContact C-N 3.33Å; V96-R98 PolarHBondContact O-N 3.48Å; R98-F100 VanDerWaalsContact C-N 3.32Å; R98-F100 PolarHBondContact O-N 2.59Å; R98-S101 PolarHBondContact O-N 2.95Å; R98-H102 WeakPolarHBondContact O-CB 3.34Å; R98-H102 PolarHBondContact O-N 3.36Å; R98-E322 IonicContact CZ-OE1 2.75Å; R98-E322 IonicContact NH1-OE1 2.81Å; R98-E322 PolarHBondContact NH1-OE1 2.98Å; R98-E322 IonicContact NH1-OE2 3.76Å
99L94.3Very high92.1Very high12 Ų1249.5 Ų49.56%0.06326%0.259CS..Hα-helixtrans-61.4-40.7-178.1179.761.7000111.7I22 S95 V96 S103 T325 W326 L329I22-L99 HydrophobicContact CG2-CD1 4.44Å; S95-L99 WeakPolarHBondContact O-CB 3.23Å; S95-L99 PolarHBondContact O-N 3.3Å; V96-L99 PolarHBondContact O-N 2.7Å; L99-S103 WeakPolarHBondContact O-CB 3.36Å; L99-S103 PolarHBondContact O-N 3.1Å; L99-S103 PolarHBondContact O-OG 2.98Å; L99-T325 HydrophobicContact CB-CG2 4.14Å; L99-T325 HydrophobicContact CD2-CG2 3.96Å; L99-W326 HydrophobicContact CD2-CB 4.16Å; L99-L329 HydrophobicContact CB-CD2 4.25Å; L99-L329 HydrophobicContact CD2-CD2 3.92Å; L99-L329 HydrophobicContact CG-CD2 3.87Å
100F95.5Very high92.1Very high1 Ų149.2 Ų49.20%0.00426%0.257CS..Hα-helixtrans-64.4-45.7174.8-172.5-90000111.7V79 Y80 V96 R98 S103 V104 V116 L122 L329V79-F100 HydrophobicContact CG2-CE2 4.44Å; Y80-F100 HydrophobicContact CE1-CB 4.17Å; Y80-F100 AromaticContact CE1-CD1 3.91Å; Y80-F100 HydrophobicContact CE1-CD1 3.91Å; Y80-F100 HydrophobicContact CE1-CG 4.16Å; Y80-F100 AromaticContact CZ-CD1 3.95Å; Y80-F100 WeakPolarHBondContact OH-CD1 3.44Å; V96-F100 VanDerWaalsContact O-CB 3.32Å; V96-F100 WeakPolarHBondContact O-CB 3.45Å; V96-F100 PolarHBondContact O-N 2.69Å; R98-F100 VanDerWaalsContact C-N 3.32Å; R98-F100 PolarHBondContact O-N 2.59Å; F100-S103 WeakPolarHBondContact O-CB 3.47Å; F100-S103 PolarHBondContact O-N 2.99Å; F100-S103 VanDerWaalsContact O-N 3.13Å; F100-V104 HydrophobicContact CD1-CG2 4.03Å; F100-V104 HydrophobicContact CE1-CG2 3.74Å; F100-V104 HydrophobicContact CZ-CG2 4.44Å; F100-V104 WeakPolarHBondContact O-CG2 3.06Å; F100-V104 PolarHBondContact O-N 2.89Å; F100-V116 HydrophobicContact CD2-CG2 4.2Å; F100-V116 HydrophobicContact CE2-CG1 4.44Å; F100-V116 HydrophobicContact CE2-CG2 3.86Å; F100-V116 HydrophobicContact CZ-CG1 4.27Å; F100-V116 HydrophobicContact CZ-CG2 4.47Å; F100-L122 HydrophobicContact CE2-CB 4.07Å; F100-L122 HydrophobicContact CE2-CD1 4.35Å; F100-L122 HydrophobicContact CE2-CD2 4.48Å; F100-L122 HydrophobicContact CZ-CB 4.34Å; F100-L329 HydrophobicContact CB-CD1 4.33Å; F100-L329 HydrophobicContact CB-CD2 4.1Å; F100-L329 HydrophobicContact CD2-CD1 3.87Å; F100-L329 HydrophobicContact CD2-CD2 4.41Å
101S93.9Very high92.1Very high42 Ų4245.9 Ų45.929%0.29424%0.237SC..Hα-helixtrans-62.2-45.4179.9-55.10000111.5Y80 E97 R98 S103 V104 E105Y80-S101 PolarHBondContact OH-OG 3.07Å; Y80-S101 VanDerWaalsContact OH-OG 3.08Å; E97-S101 WeakPolarHBondContact O-CB 3.36Å; E97-S101 PolarHBondContact O-N 3.08Å; E97-S101 PolarHBondContact O-OG 3.02Å; R98-S101 PolarHBondContact O-N 2.95Å; S101-S103 VanDerWaalsContact C-N 3.27Å; S101-S103 PolarHBondContact O-N 3.45Å; S101-V104 WeakPolarHBondContact O-CA 3.4Å; S101-V104 WeakPolarHBondContact O-CB 3.23Å; S101-V104 PolarHBondContact O-N 3.41Å; S101-E105 WeakPolarHBondContact O-CG 3.33Å; S101-E105 PolarHBondContact O-N 3.42Å
102H90.7Very high92.1Very high54 Ų5448.2 Ų48.225%0.2524%0.242CC..Hα-helixtrans-60.2-34.3173.6-177.269.8000112.9R98 V104 E105 T106R98-H102 WeakPolarHBondContact O-CB 3.34Å; R98-H102 PolarHBondContact O-N 3.36Å; H102-V104 VanDerWaalsContact C-N 3.33Å; H102-E105 PolarHBondContact O-N 3.33Å; H102-T106 VanDerWaalsContact CE1-CG2 3.43Å; H102-T106 WeakPolarHBondContact CE1-CG2 3.21Å; H102-T106 WeakPolarHBondContact O-CB 3.38Å; H102-T106 PolarHBondContact O-N 3.49Å; H102-T106 PolarHBondContact O-OG1 3.3Å
103S91.7Very high92.1Very high2 Ų248.5 Ų48.51%0.01424%0.244CC..Hα-helixtrans-70.7-24.6172.7-54.10000113.1L99 F100 S101 G107L99-S103 WeakPolarHBondContact O-CB 3.36Å; L99-S103 PolarHBondContact O-N 3.1Å; L99-S103 PolarHBondContact O-OG 2.98Å; F100-S103 WeakPolarHBondContact O-CB 3.47Å; F100-S103 PolarHBondContact O-N 2.99Å; F100-S103 VanDerWaalsContact O-N 3.13Å; S101-S103 VanDerWaalsContact C-N 3.27Å; S101-S103 PolarHBondContact O-N 3.45Å; S103-G107 WeakPolarHBondContact O-CA 3.31Å; S103-G107 PolarHBondContact O-N 2.9Å
104V92.6Very high92Very high39 Ų3945.6 Ų45.624%0.23623%0.233CC..Hα-helixtrans-75.7-36.1172.2179.10000111.3F100 S101 H102 V116F100-V104 HydrophobicContact CD1-CG2 4.03Å; F100-V104 HydrophobicContact CE1-CG2 3.74Å; F100-V104 HydrophobicContact CZ-CG2 4.44Å; F100-V104 WeakPolarHBondContact O-CG2 3.06Å; F100-V104 PolarHBondContact O-N 2.89Å; S101-V104 WeakPolarHBondContact O-CA 3.4Å; S101-V104 WeakPolarHBondContact O-CB 3.23Å; S101-V104 PolarHBondContact O-N 3.41Å; H102-V104 VanDerWaalsContact C-N 3.33Å; V104-V116 HydrophobicContact CB-CG1 4.24Å; V104-V116 HydrophobicContact CG2-CG1 3.44Å; V104-V116 VanDerWaalsContact CG2-CG1 3.44Å
105E90.3Very high92Very high150 Ų15038.8 Ų38.870%0.70121%0.214SC*.Hα-helixtrans-75.4-51.8-178.3-69.9157.6-174.200111.9S101 H102S101-E105 WeakPolarHBondContact O-CG 3.33Å; S101-E105 PolarHBondContact O-N 3.42Å; H102-E105 PolarHBondContact O-N 3.33Å
106T86.1Confident91.9Very high74 Ų7439.3 Ų39.345%0.45422%0.217SC..Hα-helixtrans-81.8-27.6-178.259.50000113.8H102 N108H102-T106 VanDerWaalsContact CE1-CG2 3.43Å; H102-T106 WeakPolarHBondContact CE1-CG2 3.21Å; H102-T106 WeakPolarHBondContact O-CB 3.38Å; H102-T106 PolarHBondContact O-N 3.49Å; H102-T106 PolarHBondContact O-OG1 3.3Å; T106-N108 PolarHBondContact O-N 2.86Å; T106-N108 VanDerWaalsContact OG1-CG 3.28Å; T106-N108 PolarHBondContact OG1-N 3.3Å; T106-N108 PolarHBondContact OG1-ND2 3.41Å
107G84.1Confident91.7Very high49 Ų4943.1 Ų43.151%0.50523%0.234SC..  trans64.619.5-172.300000114.4S103S103-G107 WeakPolarHBondContact O-CA 3.31Å; S103-G107 PolarHBondContact O-N 2.9Å
108N84.6Confident91.2Very high24 Ų2445.2 Ų45.213%0.12825%0.252CS..  trans-64.1150.5-174.165.213.7000113.1T106 A110T106-N108 PolarHBondContact O-N 2.86Å; T106-N108 VanDerWaalsContact OG1-CG 3.28Å; T106-N108 PolarHBondContact OG1-N 3.3Å; T106-N108 PolarHBondContact OG1-ND2 3.41Å; N108-A110 PolarHBondContact O-N 2.92Å; N108-A110 VanDerWaalsContact OD1-CB 3.32Å; N108-A110 WeakPolarHBondContact OD1-CB 3.27Å
109P88.8Confident90.9Very high52 Ų5248.2 Ų48.234%0.33827%0.269SS..SBendtrans-79.126.6-179.134.6-37.3000113.1A19 R20 L111 E112A19-P109 HydrophobicContact CB-CB 4.44Å; R20-P109 PolarHBondContact N-O 3.14Å; P109-L111 PolarHBondContact O-N 3.49Å; P109-L111 VanDerWaalsContact O-N 3.1Å; P109-E112 PolarHBondContact O-N 2.77Å
110A90.7Very high90.8Very high0 Ų047.8 Ų47.80%027%0.268CS..THydrogen-bonded Turntrans-60.3-23.9-172.700000114.5R20 I22 N108 W326R20-A110 WeakPolarHBondContact CA-O 3.49Å; I22-A110 HydrophobicContact CG2-CB 3.47Å; I22-A110 VanDerWaalsContact CG2-CB 3.47Å; N108-A110 PolarHBondContact O-N 2.92Å; N108-A110 VanDerWaalsContact OD1-CB 3.32Å; N108-A110 WeakPolarHBondContact OD1-CB 3.27Å; A110-W326 PolarHBondContact O-NE1 2.69Å
111L92.4Very high90.8Very high5 Ų551.2 Ų51.23%0.02628%0.284CS..THydrogen-bonded Turntrans-109.28.3-173.1-66.5163.9000114P109 L114 V116 L329 F330P109-L111 PolarHBondContact O-N 3.49Å; P109-L111 VanDerWaalsContact O-N 3.1Å; L111-L114 CarbonylContact C-O 3.53Å; L111-L114 HydrophobicContact CB-CB 4.09Å; L111-L114 WeakPolarHBondContact O-CA 3.43Å; L111-L114 VanDerWaalsContact O-CB 3.28Å; L111-L114 WeakPolarHBondContact O-CB 3.27Å; L111-L114 PolarHBondContact O-N 3.23Å; L111-V116 HydrophobicContact CD1-CG2 3.83Å; L111-L329 HydrophobicContact CD1-CD2 3.9Å; L111-L329 HydrophobicContact CD1-CG 4.27Å; L111-L329 HydrophobicContact CD2-CD2 4.1Å; L111-L329 HydrophobicContact CD2-CG 4.08Å; L111-F330 HydrophobicContact CD2-CB 4.48Å; L111-F330 WeakPolarHBondContact O-CE2 3.47Å
112E91.5Very high90.9Very high70 Ų7049.2 Ų49.233%0.32727%0.271SS..THydrogen-bonded Turntrans-54.5132-175-170.6165.7-17000112.1A19 R20 P109 L114 T125A19-E112 HydrophobicContact CB-CB 4.39Å; A19-E112 WeakPolarHBondContact CB-OE2 3.45Å; R20-E112 PolarHBondContact NE-O 3.08Å; P109-E112 PolarHBondContact O-N 2.77Å; E112-L114 WeakPolarHBondContact CA-O 3.47Å; E112-L114 PolarHBondContact N-O 2.87Å; E112-T125 HydrophobicContact CG-CG2 3.88Å
113P92.5Very high91.2Very high7 Ų746.9 Ų46.95%0.04526%0.26CS..THydrogen-bonded Turncis-76.2-0.513.131.6-39.9000117.4M41 V124 T125 C128 L138 F330M41-P113 HydrophobicContact CE-CG 4.43Å; M41-P113 HydrophobicContact CG-CG 4.4Å; M41-P113 HydrophobicContact SD-CG 3.95Å; P113-V124 CarbonylContact O-C 3.58Å; P113-V124 WeakPolarHBondContact O-CA 3.28Å; P113-V124 VanDerWaalsContact O-CG1 3.23Å; P113-V124 WeakPolarHBondContact O-CG1 3.4Å; P113-T125 PolarHBondContact O-N 2.78Å; P113-C128 HydrophobicContact CB-CB 4.14Å; P113-L138 HydrophobicContact CG-CD1 3.71Å; P113-L138 HydrophobicContact CG-CD2 4.31Å; P113-F330 HydrophobicContact CG-CZ 4.49Å
114L94.3Very high91.3Very high4 Ų447 Ų472%0.02126%0.26CS..EExtended strand (participates in β ladder)trans-79.2155.7169.2-51.2-176.7000110.7L111 E112 L122 T123 V124 L138 F330 I334 L337L111-L114 CarbonylContact C-O 3.53Å; L111-L114 HydrophobicContact CB-CB 4.09Å; L111-L114 WeakPolarHBondContact O-CA 3.43Å; L111-L114 VanDerWaalsContact O-CB 3.28Å; L111-L114 WeakPolarHBondContact O-CB 3.27Å; L111-L114 PolarHBondContact O-N 3.23Å; E112-L114 WeakPolarHBondContact CA-O 3.47Å; E112-L114 PolarHBondContact N-O 2.87Å; L114-L122 HydrophobicContact CB-CD1 4.16Å; L114-L122 HydrophobicContact CD1-CD1 4.43Å; L114-T123 WeakPolarHBondContact CA-O 3.28Å; L114-V124 HydrophobicContact CD2-CG2 4.3Å; L114-L138 HydrophobicContact CD2-CD2 4.18Å; L114-F330 HydrophobicContact CD1-CD2 4.05Å; L114-F330 HydrophobicContact CD1-CE2 4.5Å; L114-F330 WeakPolarHBondContact CD1-O 3.38Å; L114-F330 HydrophobicContact CG-CD2 4.23Å; L114-F330 HydrophobicContact CG-CE2 4.21Å; L114-I334 HydrophobicContact CD1-CG1 4.27Å; L114-I334 HydrophobicContact CD2-CG1 4.12Å; L114-L337 HydrophobicContact CD2-CD1 3.75Å
115A94.2Very high91.3Very high32 Ų3246.3 Ų46.326%0.26426%0.257SS..EExtended strand (participates in β ladder)trans-138.7131.9172.900000110.6T123 T125A115-T123 HydrophobicContact CB-CG2 4.12Å; A115-T123 PolarHBondContact N-O 3.21Å; A115-T123 VanDerWaalsContact O-CG2 3.28Å; A115-T123 WeakPolarHBondContact O-CG2 3.43Å; A115-T123 PolarHBondContact O-N 2.88Å; A115-T125 HydrophobicContact CB-CG2 4.18Å
116V94.5Very high91.2Very high20 Ų2048.1 Ų48.112%0.12126%0.262CS..EExtended strand (participates in β ladder)trans-91.9121.8171.9177.90000107.9F100 V104 L111 L122F100-V116 HydrophobicContact CD2-CG2 4.2Å; F100-V116 HydrophobicContact CE2-CG1 4.44Å; F100-V116 HydrophobicContact CE2-CG2 3.86Å; F100-V116 HydrophobicContact CZ-CG1 4.27Å; F100-V116 HydrophobicContact CZ-CG2 4.47Å; V104-V116 HydrophobicContact CB-CG1 4.24Å; V104-V116 HydrophobicContact CG2-CG1 3.44Å; V104-V116 VanDerWaalsContact CG2-CG1 3.44Å; L111-V116 HydrophobicContact CD1-CG2 3.83Å; V116-L122 HydrophobicContact CG2-CD1 3.8Å
117K91.1Very high91.4Very high80 Ų8048.1 Ų48.135%0.34827%0.27SS..EExtended strand (participates in β ladder)trans-91.3153174.2-70.1161.4175153.30110.3G120 M121 T123K117-G120 PolarHBondContact O-N 2.92Å; K117-G120 VanDerWaalsContact O-N 3.15Å; K117-M121 HydrophobicContact CB-CB 4.19Å; K117-M121 WeakPolarHBondContact CB-O 3.5Å; K117-M121 PolarHBondContact N-O 3.5Å; K117-M121 PolarHBondContact O-N 3.03Å; K117-T123 HydrophobicContact CD-CG2 3.87Å; K117-T123 HydrophobicContact CG-CG2 4.19Å; K117-T123 VanDerWaalsContact NZ-CG2 3.28Å; K117-T123 PolarHBondContact NZ-OG1 2.75Å
118P85.9Confident91.7Very high103 Ų10346 Ų4667%0.66925%0.247SC*.THydrogen-bonded Turntrans-47.4145.9166.8-28.335.4000112
119K89.2Confident91.9Very high192 Ų19246.4 Ų46.484%0.83525%0.249SC*.THydrogen-bonded Turntrans71.518.4-168.1-44.7178.8-178.1-176.10115.2
120G92.3Very high91.8Very high4 Ų448 Ų484%0.04127%0.267CS..THydrogen-bonded Turntrans73.134.817000000114.7S75 S76 K117S75-G120 CarbonylContact C-O 3.58Å; S76-G120 PolarHBondContact N-O 3.26Å; K117-G120 PolarHBondContact O-N 2.92Å; K117-G120 VanDerWaalsContact O-N 3.15Å
121M95.1Very high91.7Very high72 Ų7250.3 Ų50.336%0.35528%0.279SS..EExtended strand (participates in β ladder)trans-103.3106.2179.1-68.5-68.4178.100110.4M73 K117M73-M121 HydrophobicContact CG-CB 4.16Å; M73-M121 HydrophobicContact CG-SD 4.45Å; M73-M121 HydrophobicContact SD-CB 3.99Å; M73-M121 HydrophobicContact SD-CG 4.28Å; M73-M121 HydrophobicContact SD-SD 4.41Å; K117-M121 HydrophobicContact CB-CB 4.19Å; K117-M121 WeakPolarHBondContact CB-O 3.5Å; K117-M121 PolarHBondContact N-O 3.5Å; K117-M121 PolarHBondContact O-N 3.03Å
122L96.8Very high91.6Very high1 Ų152.4 Ų52.41%0.00529%0.289CS..EExtended strand (participates in β ladder)trans-78.4140.3175.7-176.165.1000110.4M73 V74 V79 F100 L114 V116 G333 L337M73-L122 WeakPolarHBondContact CA-O 3.38Å; V74-L122 HydrophobicContact CG2-CB 3.89Å; V74-L122 HydrophobicContact CG2-CD2 4.16Å; V74-L122 HydrophobicContact CG2-CG 4.38Å; V74-L122 PolarHBondContact N-O 3.36Å; V74-L122 PolarHBondContact O-N 3.23Å; V79-L122 HydrophobicContact CG2-CB 4.4Å; V79-L122 HydrophobicContact CG2-CD2 3.93Å; F100-L122 HydrophobicContact CE2-CB 4.07Å; F100-L122 HydrophobicContact CE2-CD1 4.35Å; F100-L122 HydrophobicContact CE2-CD2 4.48Å; F100-L122 HydrophobicContact CZ-CB 4.34Å; L114-L122 HydrophobicContact CB-CD1 4.16Å; L114-L122 HydrophobicContact CD1-CD1 4.43Å; V116-L122 HydrophobicContact CG2-CD1 3.8Å; L122-G333 VanDerWaalsContact CD2-CA 3.45Å; L122-L337 HydrophobicContact CG-CD1 4.31Å
123T95.8Very high91.4Very high4 Ų456 Ų563%0.02530%0.304CS..EExtended strand (participates in β ladder)trans-154.2-170.9-178.1-163.40000110.1F72 L114 A115 K117F72-T123 WeakPolarHBondContact O-CA 3.32Å; F72-T123 WeakPolarHBondContact O-CB 3.32Å; F72-T123 PolarHBondContact O-OG1 3.39Å; L114-T123 WeakPolarHBondContact CA-O 3.28Å; A115-T123 HydrophobicContact CB-CG2 4.12Å; A115-T123 PolarHBondContact N-O 3.21Å; A115-T123 VanDerWaalsContact O-CG2 3.28Å; A115-T123 WeakPolarHBondContact O-CG2 3.43Å; A115-T123 PolarHBondContact O-N 2.88Å; K117-T123 HydrophobicContact CD-CG2 3.87Å; K117-T123 HydrophobicContact CG-CG2 4.19Å; K117-T123 VanDerWaalsContact NZ-CG2 3.28Å; K117-T123 PolarHBondContact NZ-OG1 2.75Å
124V94.3Very high91.2Very high4 Ų460.6 Ų60.62%0.02432%0.323CS..EExtended strand (participates in β ladder)trans-110.3151173-166.60000109.4P113 L114 C128 L129 L135 L138 F139 L337P113-V124 CarbonylContact O-C 3.58Å; P113-V124 WeakPolarHBondContact O-CA 3.28Å; P113-V124 VanDerWaalsContact O-CG1 3.23Å; P113-V124 WeakPolarHBondContact O-CG1 3.4Å; L114-V124 HydrophobicContact CD2-CG2 4.3Å; V124-C128 HydrophobicContact CG1-CB 3.68Å; V124-C128 VanDerWaalsContact CG1-SG 3.58Å; V124-L129 HydrophobicContact CB-CD2 4.02Å; V124-L129 HydrophobicContact CB-CG 4.03Å; V124-L129 VanDerWaalsContact O-CD1 3.31Å; V124-L129 WeakPolarHBondContact O-CD1 3.4Å; V124-L135 HydrophobicContact CB-CD2 4.45Å; V124-L135 HydrophobicContact CG1-CD2 4.06Å; V124-L135 HydrophobicContact CG2-CD2 4.4Å; V124-L138 HydrophobicContact CG1-CD2 3.98Å; V124-L138 HydrophobicContact CG2-CD2 4.25Å; V124-F139 HydrophobicContact CG2-CZ 4.08Å; V124-L337 HydrophobicContact CG2-CD1 3.85Å
125T92.4Very high91Very high26 Ų2660.4 Ų60.416%0.1632%0.322CS..  trans-61.9150.6177.961.10000112.2E112 P113 A115 A127 C128 L129E112-T125 HydrophobicContact CG-CG2 3.88Å; P113-T125 PolarHBondContact O-N 2.78Å; A115-T125 HydrophobicContact CB-CG2 4.18Å; T125-A127 PolarHBondContact O-N 2.92Å; T125-C128 PolarHBondContact O-N 2.6Å; T125-C128 VanDerWaalsContact O-N 3.1Å; T125-L129 WeakPolarHBondContact O-CG 3.49Å; T125-L129 PolarHBondContact O-N 3.17Å
126K89.8Confident90.9Very high188 Ų18859.4 Ų59.482%0.81731%0.312SS*.Hα-helixtrans-55.4-37-178.8-66.4178.7-178172.50113A130K126-A130 PolarHBondContact O-N 2.94Å; K126-A130 VanDerWaalsContact O-N 3.16Å
127A89Confident90.6Very high74 Ų7459 Ų5961%0.61231%0.309SS*.Hα-helixtrans-68-37.618000000112.4T125T125-A127 PolarHBondContact O-N 2.92Å
128C90Very high90.5Very high5 Ų555.2 Ų55.23%0.03429%0.293CS..Hα-helixtrans-78-38.2175.1-177.80000111.5P113 V124 T125 A130 D131 L135P113-C128 HydrophobicContact CB-CB 4.14Å; V124-C128 HydrophobicContact CG1-CB 3.68Å; V124-C128 VanDerWaalsContact CG1-SG 3.58Å; T125-C128 PolarHBondContact O-N 2.6Å; T125-C128 VanDerWaalsContact O-N 3.1Å; C128-A130 PolarHBondContact O-N 3.38Å; C128-D131 CarbonylContact O-C 3.59Å; C128-D131 PolarHBondContact O-N 3.05Å; C128-L135 WeakPolarHBondContact O-CG 3.15Å
129L88.6Confident90.8Very high31 Ų3150.3 Ų50.316%0.16226%0.261CS..Hα-helixtrans-57.7-28.9172.9-75.1173000113.9Y60 F72 V124 T125 D131 L135Y60-L129 PolarHBondContact OH-O 3.47Å; Y60-L129 VanDerWaalsContact OH-O 3.1Å; F72-L129 HydrophobicContact CB-CD2 3.76Å; F72-L129 HydrophobicContact CD2-CD2 3.57Å; F72-L129 HydrophobicContact CE2-CD2 4.42Å; F72-L129 HydrophobicContact CG-CD2 3.9Å; V124-L129 HydrophobicContact CB-CD2 4.02Å; V124-L129 HydrophobicContact CB-CG 4.03Å; V124-L129 VanDerWaalsContact O-CD1 3.31Å; V124-L129 WeakPolarHBondContact O-CD1 3.4Å; T125-L129 WeakPolarHBondContact O-CG 3.49Å; T125-L129 PolarHBondContact O-N 3.17Å; L129-D131 VanDerWaalsContact C-N 3.34Å; L129-L135 HydrophobicContact CD2-CD2 4.25Å
130A87.9Confident90.7Very high86 Ų8644 Ų4471%0.71123%0.232SC*.THydrogen-bonded Turntrans-79.6-13.6175.500000113.8K126 C128K126-A130 PolarHBondContact O-N 2.94Å; K126-A130 VanDerWaalsContact O-N 3.16Å; C128-A130 PolarHBondContact O-N 3.38Å
131D89.1Confident90.4Very high49 Ų4944.9 Ų44.926%0.26224%0.236SC..  trans-112.996.6-175.9-173.3-21.8000110.8C128 L129 K133 K134 L135C128-D131 CarbonylContact O-C 3.59Å; C128-D131 PolarHBondContact O-N 3.05Å; L129-D131 VanDerWaalsContact C-N 3.34Å; D131-K133 PolarHBondContact O-N 3.03Å; D131-K133 VanDerWaalsContact O-N 3.14Å; D131-K133 WeakPolarHBondContact OD1-CA 3.33Å; D131-K133 WeakPolarHBondContact OD1-CB 3.28Å; D131-K133 PolarHBondContact OD1-N 2.93Å; D131-K134 HydrophobicContact CB-CB 4.03Å; D131-K134 HydrophobicContact CB-CD 3.99Å; D131-K134 HydrophobicContact CB-CG 4.12Å; D131-K134 PolarHBondContact O-N 3.18Å; D131-K134 VanDerWaalsContact O-N 3.09Å; D131-K134 PolarHBondContact OD1-N 3.04Å; D131-K134 VanDerWaalsContact OD1-N 3.13Å; D131-K134 VanDerWaalsContact OD2-CD 3.23Å; D131-K134 WeakPolarHBondContact OD2-CD 3.43Å; D131-K134 WeakPolarHBondContact OD2-CE 3.46Å; D131-K134 WeakPolarHBondContact OD2-CG 3.33Å; D131-K134 IonicContact OD2-NZ 3.89Å; D131-L135 PolarHBondContact O-N 2.96Å
132M89.3Confident89.8Confident48 Ų4842 Ų4224%0.23622%0.222CC..Hα-helixtrans-54.1-31.8177.4-173.7-167.7-7500112.9W53 F56 S57 Y60 Y136W53-M132 HydrophobicContact CH2-CB 4.15Å; W53-M132 HydrophobicContact CH2-CG 3.68Å; W53-M132 HydrophobicContact CH2-SD 3.74Å; W53-M132 HydrophobicContact CZ2-SD 4.08Å; W53-M132 HydrophobicContact CZ3-CG 4.06Å; W53-M132 WeakPolarHBondContact CZ3-O 3.33Å; W53-M132 HydrophobicContact CZ3-SD 4.46Å; F56-M132 HydrophobicContact CD1-CG 4.24Å; F56-M132 HydrophobicContact CE1-CG 3.83Å; S57-M132 PolarHBondContact OG-SD 3.13Å; Y60-M132 HydrophobicContact CD1-CE 3.51Å; Y60-M132 HydrophobicContact CE1-CE 4.07Å; Y60-M132 HydrophobicContact CG-CE 4.01Å; M132-Y136 WeakPolarHBondContact O-CB 3.48Å; M132-Y136 PolarHBondContact O-N 3.3Å; M132-Y136 VanDerWaalsContact O-N 3.07Å
133K87.6Confident89.1Confident147 Ų14742 Ų4264%0.63922%0.222SC*.Hα-helixtrans-70.9-46.6177.7-65.8-178.5177.4-178.30110.6W53 D131 L135 Y136 T137W53-K133 HydrophobicContact CH2-CB 4.29Å; W53-K133 HydrophobicContact CH2-CG 3.59Å; W53-K133 HydrophobicContact CZ2-CG 4.14Å; W53-K133 HydrophobicContact CZ3-CB 4.49Å; W53-K133 HydrophobicContact CZ3-CG 4.18Å; D131-K133 PolarHBondContact O-N 3.03Å; D131-K133 VanDerWaalsContact O-N 3.14Å; D131-K133 WeakPolarHBondContact OD1-CA 3.33Å; D131-K133 WeakPolarHBondContact OD1-CB 3.28Å; D131-K133 PolarHBondContact OD1-N 2.93Å; K133-L135 VanDerWaalsContact C-N 3.35Å; K133-L135 PolarHBondContact O-N 2.83Å; K133-Y136 PolarHBondContact O-N 3.34Å; K133-T137 WeakPolarHBondContact O-CB 3.34Å; K133-T137 PolarHBondContact O-N 3.4Å; K133-T137 PolarHBondContact O-OG1 2.91Å
134K88.6Confident88.4Confident102 Ų10244.4 Ų44.444%0.44324%0.239SC..Hα-helixtrans-61.6-41.6176.9-70.6176.8-173.1178.30111.8D131 T137 L138D131-K134 HydrophobicContact CB-CB 4.03Å; D131-K134 HydrophobicContact CB-CD 3.99Å; D131-K134 HydrophobicContact CB-CG 4.12Å; D131-K134 PolarHBondContact O-N 3.18Å; D131-K134 VanDerWaalsContact O-N 3.09Å; D131-K134 PolarHBondContact OD1-N 3.04Å; D131-K134 VanDerWaalsContact OD1-N 3.13Å; D131-K134 VanDerWaalsContact OD2-CD 3.23Å; D131-K134 WeakPolarHBondContact OD2-CD 3.43Å; D131-K134 WeakPolarHBondContact OD2-CE 3.46Å; D131-K134 WeakPolarHBondContact OD2-CG 3.33Å; D131-K134 IonicContact OD2-NZ 3.89Å; K134-T137 PolarHBondContact O-N 3.05Å; K134-L138 VanDerWaalsContact O-CB 3.23Å; K134-L138 WeakPolarHBondContact O-CB 3.44Å; K134-L138 PolarHBondContact O-N 3.44Å
135L90.6Very high88Confident0 Ų048.4 Ų48.40%026%0.256CS..Hα-helixtrans-60.6-46.5173.7-68.1177.1000112.8F56 Y60 F72 V124 C128 L129 D131 K133 L138 F139F56-L135 HydrophobicContact CE1-CB 4.43Å; F56-L135 HydrophobicContact CZ-CB 4.06Å; Y60-L135 HydrophobicContact CD2-CD1 4.38Å; Y60-L135 HydrophobicContact CE2-CD1 3.57Å; F72-L135 HydrophobicContact CE2-CD1 4.04Å; F72-L135 HydrophobicContact CZ-CD1 4.2Å; V124-L135 HydrophobicContact CB-CD2 4.45Å; V124-L135 HydrophobicContact CG1-CD2 4.06Å; V124-L135 HydrophobicContact CG2-CD2 4.4Å; C128-L135 WeakPolarHBondContact O-CG 3.15Å; L129-L135 HydrophobicContact CD2-CD2 4.25Å; D131-L135 PolarHBondContact O-N 2.96Å; K133-L135 VanDerWaalsContact C-N 3.35Å; K133-L135 PolarHBondContact O-N 2.83Å; L135-L138 PolarHBondContact O-N 3.14Å; L135-F139 HydrophobicContact CB-CD2 4.33Å; L135-F139 HydrophobicContact CB-CE2 4.04Å; L135-F139 HydrophobicContact CD2-CE2 3.94Å; L135-F139 HydrophobicContact CD2-CZ 4.21Å; L135-F139 WeakPolarHBondContact O-CD2 3.39Å; L135-F139 WeakPolarHBondContact O-CG 3.44Å; L135-F139 PolarHBondContact O-N 2.6Å
136Y90.4Very high87.8Confident12 Ų1247.3 Ų47.35%0.04725%0.249CC..Hα-helixtrans-61-47.5177.2176.2-92.5000111.7V48 H52 W53 F56 M132 K133 L138 F139 Y140 I141V48-Y136 HydrophobicContact CG1-CD1 4.38Å; V48-Y136 HydrophobicContact CG1-CE1 3.68Å; V48-Y136 HydrophobicContact CG2-CE1 4.23Å; H52-Y136 HydrophobicContact CB-CE2 4.3Å; H52-Y136 WeakPolarHBondContact CB-OH 3.25Å; W53-Y136 HydrophobicContact CB-CE2 4.48Å; W53-Y136 AromaticContact CE3-CD1 3.97Å; W53-Y136 HydrophobicContact CE3-CD1 3.97Å; W53-Y136 HydrophobicContact CE3-CD2 4.02Å; W53-Y136 AromaticContact CE3-CG 3.62Å; W53-Y136 HydrophobicContact CE3-CG 3.62Å; W53-Y136 HydrophobicContact CZ3-CG 4.04Å; F56-Y136 HydrophobicContact CB-CD2 3.73Å; F56-Y136 HydrophobicContact CB-CE2 4.18Å; F56-Y136 AromaticContact CD1-CD2 3.83Å; F56-Y136 HydrophobicContact CD1-CD2 3.83Å; F56-Y136 HydrophobicContact CD1-CG 4.27Å; F56-Y136 AromaticContact CG-CD2 3.77Å; F56-Y136 HydrophobicContact CG-CD2 3.77Å; M132-Y136 WeakPolarHBondContact O-CB 3.48Å; M132-Y136 PolarHBondContact O-N 3.3Å; M132-Y136 VanDerWaalsContact O-N 3.07Å; K133-Y136 PolarHBondContact O-N 3.34Å; Y136-L138 PolarHBondContact O-N 3.45Å; Y136-F139 PolarHBondContact O-N 3.44Å; Y136-Y140 AromaticContact CD2-CD2 3.64Å; Y136-Y140 HydrophobicContact CD2-CD2 3.64Å; Y136-Y140 HydrophobicContact CD2-CE2 4.37Å; Y136-Y140 HydrophobicContact CD2-CG 4.28Å; Y136-Y140 AromaticContact CE2-CD2 3.86Å; Y136-Y140 HydrophobicContact CE2-CD2 3.86Å; Y136-Y140 HydrophobicContact CE2-CG 4.06Å; Y136-Y140 HydrophobicContact CG-CD2 4.35Å; Y136-Y140 WeakPolarHBondContact O-CB 3.34Å; Y136-Y140 PolarHBondContact O-N 2.87Å; Y136-I141 HydrophobicContact CE1-CD1 4.42Å
137T88.6Confident87.7Confident12 Ų1242.8 Ų42.87%0.07423%0.234CC..Iπ-helixtrans-56.3-51.3175.5-67.70000110.7M41 A43 K133 K134 F139 I141 H142M41-T137 HydrophobicContact CE-CG2 4.26Å; A43-T137 HydrophobicContact CB-CG2 3.97Å; K133-T137 WeakPolarHBondContact O-CB 3.34Å; K133-T137 PolarHBondContact O-N 3.4Å; K133-T137 PolarHBondContact O-OG1 2.91Å; K134-T137 PolarHBondContact O-N 3.05Å; T137-F139 PolarHBondContact O-N 3.46Å; T137-I141 HydrophobicContact CG2-CB 4.33Å; T137-I141 HydrophobicContact CG2-CD1 4.22Å; T137-I141 WeakPolarHBondContact O-CA 3.25Å; T137-I141 VanDerWaalsContact O-CB 3.29Å; T137-I141 WeakPolarHBondContact O-CB 3.31Å; T137-I141 PolarHBondContact O-N 3.12Å; T137-H142 PolarHBondContact O-CD2 3.43Å; T137-H142 PolarHBondContact O-N 2.89Å
138L90.2Very high87.7Confident0 Ų044.6 Ų44.60%023%0.233CC..Iπ-helixtrans-53.6-57.1178.4-169.868.3000110.9M41 P113 L114 V124 K134 L135 Y136 H142 G143 F330 I334M41-L138 HydrophobicContact CE-CB 4.17Å; M41-L138 HydrophobicContact CE-CD1 3.7Å; P113-L138 HydrophobicContact CG-CD1 3.71Å; P113-L138 HydrophobicContact CG-CD2 4.31Å; L114-L138 HydrophobicContact CD2-CD2 4.18Å; V124-L138 HydrophobicContact CG1-CD2 3.98Å; V124-L138 HydrophobicContact CG2-CD2 4.25Å; K134-L138 VanDerWaalsContact O-CB 3.23Å; K134-L138 WeakPolarHBondContact O-CB 3.44Å; K134-L138 PolarHBondContact O-N 3.44Å; L135-L138 PolarHBondContact O-N 3.14Å; Y136-L138 PolarHBondContact O-N 3.45Å; L138-H142 CarbonylContact O-C 3.47Å; L138-H142 WeakPolarHBondContact O-CB 3.4Å; L138-H142 PolarHBondContact O-N 2.91Å; L138-G143 PolarHBondContact O-N 3.17Å; L138-F330 HydrophobicContact CD1-CZ 4.43Å; L138-I334 HydrophobicContact CD1-CD1 3.48Å; L138-I334 VanDerWaalsContact CD1-CD1 3.48Å; L138-I334 HydrophobicContact CD1-CG1 3.81Å; L138-I334 HydrophobicContact CG-CD1 4.08Å; L138-I334 HydrophobicContact CG-CG1 3.95Å; L138-I334 HydrophobicContact CG-CG2 4.24Å; L138-I334 WeakPolarHBondContact O-CG2 3.5Å
139F91Very high87.6Confident0 Ų045.8 Ų45.80%024%0.238CC..Iπ-helixtrans-74-36.7-173.9-60.3-46.6000114.8F56 F72 V124 L135 Y136 T137 G143 I334 L337 R338F56-F139 HydrophobicContact CE2-CD2 4.45Å; F72-F139 AromaticContact CD1-CE2 3.76Å; F72-F139 HydrophobicContact CD1-CE2 3.76Å; F72-F139 AromaticContact CD1-CZ 3.66Å; F72-F139 HydrophobicContact CD1-CZ 3.66Å; F72-F139 HydrophobicContact CE1-CD2 4.29Å; F72-F139 AromaticContact CE1-CE2 3.34Å; F72-F139 HydrophobicContact CE1-CE2 3.34Å; F72-F139 AromaticContact CE1-CZ 3.77Å; F72-F139 HydrophobicContact CE1-CZ 3.77Å; F72-F139 HydrophobicContact CZ-CE2 4.12Å; V124-F139 HydrophobicContact CG2-CZ 4.08Å; L135-F139 HydrophobicContact CB-CD2 4.33Å; L135-F139 HydrophobicContact CB-CE2 4.04Å; L135-F139 HydrophobicContact CD2-CE2 3.94Å; L135-F139 HydrophobicContact CD2-CZ 4.21Å; L135-F139 WeakPolarHBondContact O-CD2 3.39Å; L135-F139 WeakPolarHBondContact O-CG 3.44Å; L135-F139 PolarHBondContact O-N 2.6Å; Y136-F139 PolarHBondContact O-N 3.44Å; T137-F139 PolarHBondContact O-N 3.46Å; F139-G143 WeakPolarHBondContact O-CA 3.27Å; F139-I334 HydrophobicContact CD1-CG2 3.95Å; F139-L337 HydrophobicContact CE1-CB 3.64Å; F139-L337 HydrophobicContact CZ-CB 4.22Å; F139-R338 HydrophobicContact CB-CB 4.05Å; F139-R338 HydrophobicContact CB-CG 4.22Å; F139-R338 HydrophobicContact CD1-CB 3.92Å; F139-R338 HydrophobicContact CG-CB 4.15Å; F139-R338 WeakPolarHBondContact O-CD 3.39Å; F139-R338 PolarHBondContact O-NH1 2.96Å
140Y87.8Confident87.6Confident60 Ų6044.8 Ų44.824%0.23523%0.233CC..Iπ-helixtrans-109.4-21.6-169.7-63.6-78.3000114.6F56 Y136 S144 R338 E342F56-Y140 HydrophobicContact CD2-CD2 4.4Å; F56-Y140 AromaticContact CD2-CE2 3.59Å; F56-Y140 HydrophobicContact CD2-CE2 3.59Å; F56-Y140 AromaticContact CE2-CE2 3.97Å; F56-Y140 HydrophobicContact CE2-CE2 3.97Å; F56-Y140 HydrophobicContact CG-CE2 4.33Å; Y136-Y140 AromaticContact CD2-CD2 3.64Å; Y136-Y140 HydrophobicContact CD2-CD2 3.64Å; Y136-Y140 HydrophobicContact CD2-CE2 4.37Å; Y136-Y140 HydrophobicContact CD2-CG 4.28Å; Y136-Y140 AromaticContact CE2-CD2 3.86Å; Y136-Y140 HydrophobicContact CE2-CD2 3.86Å; Y136-Y140 HydrophobicContact CE2-CG 4.06Å; Y136-Y140 HydrophobicContact CG-CD2 4.35Å; Y136-Y140 WeakPolarHBondContact O-CB 3.34Å; Y136-Y140 PolarHBondContact O-N 2.87Å; Y140-S144 PolarHBondContact O-OG 3.02Å; Y140-R338 HydrophobicContact CE1-CG 4.38Å; Y140-E342 WeakPolarHBondContact CE1-OE1 3.39Å; Y140-E342 PolarHBondContact OH-OE1 3.1Å
141I84.9Confident87.6Confident22 Ų2246.5 Ų46.511%0.11323%0.23CC..Iπ-helixtrans-100.1-32.4174.1-59.4169.8000111.4T46 V48 Y136 T137 S144 K145T46-I141 HydrophobicContact CG2-CD1 3.69Å; T46-I141 HydrophobicContact CG2-CG1 4.13Å; T46-I141 HydrophobicContact CG2-CG2 4.01Å; V48-I141 HydrophobicContact CG2-CD1 4.17Å; Y136-I141 HydrophobicContact CE1-CD1 4.42Å; T137-I141 HydrophobicContact CG2-CB 4.33Å; T137-I141 HydrophobicContact CG2-CD1 4.22Å; T137-I141 WeakPolarHBondContact O-CA 3.25Å; T137-I141 VanDerWaalsContact O-CB 3.29Å; T137-I141 WeakPolarHBondContact O-CB 3.31Å; T137-I141 PolarHBondContact O-N 3.12Å; I141-S144 PolarHBondContact O-OG 2.95Å; I141-K145 WeakPolarHBondContact O-CE 3.46Å
142H82.4Confident87.5Confident12 Ų1247.7 Ų47.76%0.05625%0.247CC..Iπ-helixtrans-105-35.9-179.8-64.3-108.3000112.6F40 T137 L138 S144 K145 H331 I334F40-H142 PolarHBondContact O-CE1 3.24Å; F40-H142 PolarHBondContact O-ND1 2.83Å; F40-H142 PolarHBondContact O-NE2 3.03Å; T137-H142 PolarHBondContact O-CD2 3.43Å; T137-H142 PolarHBondContact O-N 2.89Å; L138-H142 CarbonylContact O-C 3.47Å; L138-H142 WeakPolarHBondContact O-CB 3.4Å; L138-H142 PolarHBondContact O-N 2.91Å; H142-S144 PolarHBondContact O-N 3.39Å; H142-K145 WeakPolarHBondContact O-CB 3.4Å; H142-K145 PolarHBondContact O-N 2.94Å; H142-H331 PolarHBondContact O-CE1 3.46Å; H142-H331 PolarHBondContact O-ND1 3.21Å; H142-I334 HydrophobicContact CB-CD1 4.37Å
143G82.5Confident87.3Confident1 Ų146.3 Ų46.31%0.0124%0.241CC..THydrogen-bonded Turntrans-69.3-11.9174.500000115.1L138 F139 R338L138-G143 PolarHBondContact O-N 3.17Å; F139-G143 WeakPolarHBondContact O-CA 3.27Å; G143-R338 VanDerWaalsContact O-CZ 3.31Å; G143-R338 PolarHBondContact O-NH1 2.9Å; G143-R338 PolarHBondContact O-NH2 2.94Å
144S81.5Confident87Confident54 Ų5442.6 Ų42.638%0.37823%0.231SC..THydrogen-bonded Turntrans-72.9-35.7170.642.10000112.2Y140 I141 H142 L146Y140-S144 PolarHBondContact O-OG 3.02Å; I141-S144 PolarHBondContact O-OG 2.95Å; H142-S144 PolarHBondContact O-N 3.39Å; S144-L146 PolarHBondContact O-N 2.83Å; S144-L146 VanDerWaalsContact O-N 3.09Å
145K85.4Confident86.5Confident87 Ų8741.4 Ų41.438%0.37823%0.226SC..THydrogen-bonded Turntrans-69.6-5.6-172.2-59.1172.3178.9162.30115.1I141 H142 D148 M149I141-K145 WeakPolarHBondContact O-CE 3.46Å; H142-K145 WeakPolarHBondContact O-CB 3.4Å; H142-K145 PolarHBondContact O-N 2.94Å; K145-D148 PolarHBondContact O-N 2.85Å; K145-M149 VanDerWaalsContact O-CB 3.3Å; K145-M149 WeakPolarHBondContact O-CB 3.34Å; K145-M149 PolarHBondContact O-N 3.27Å
146L88Confident85.5Confident3 Ų342.9 Ų42.92%0.01624%0.237CC..Hα-helixtrans-60.9-46.6-176.117859000112.5L86 S144 M149 I150 H331 L332 D335L86-L146 HydrophobicContact CD1-CD2 3.87Å; S144-L146 PolarHBondContact O-N 2.83Å; S144-L146 VanDerWaalsContact O-N 3.09Å; L146-M149 HydrophobicContact CD1-CE 4.18Å; L146-I150 HydrophobicContact CD1-CD1 3.68Å; L146-I150 HydrophobicContact CD1-CG1 4.23Å; L146-I150 HydrophobicContact CG-CD1 3.97Å; L146-I150 WeakPolarHBondContact O-CB 3.32Å; L146-I150 VanDerWaalsContact O-CG1 3.32Å; L146-I150 WeakPolarHBondContact O-CG1 3.4Å; L146-I150 PolarHBondContact O-N 3.21Å; L146-H331 HydrophobicContact CB-CB 4.14Å; L146-H331 HydrophobicContact CD1-CB 3.76Å; L146-H331 HydrophobicContact CG-CB 4.5Å; L146-L332 HydrophobicContact CD1-CB 4.45Å; L146-L332 HydrophobicContact CD2-CD1 4.19Å; L146-D335 HydrophobicContact CD2-CB 3.57Å
147N88.1Confident84.5Confident94 Ų9452.8 Ų52.850%0.50328%0.28SS..Hα-helixtrans-68.2-46.9-179.7-65.8-29.4000110.7M149 I150 D151N147-M149 VanDerWaalsContact C-N 3.26Å; N147-M149 PolarHBondContact O-N 3.06Å; N147-I150 PolarHBondContact O-N 3.14Å; N147-I150 VanDerWaalsContact O-N 3.14Å; N147-D151 PolarHBondContact O-N 2.75Å
148D88.6Confident83.5Confident112 Ų11261.5 Ų61.560%0.59932%0.317SS*.Hα-helixtrans-56.1-41.8178.6-52.2-30.9000111.5K145 D151 A152K145-D148 PolarHBondContact O-N 2.85Å; D148-D151 PolarHBondContact O-N 3.17Å; D148-A152 VanDerWaalsContact O-CB 3.28Å; D148-A152 WeakPolarHBondContact O-CB 3.39Å; D148-A152 PolarHBondContact O-N 2.84Å
149M88.6Confident82.3Confident29 Ų2966.2 Ų66.214%0.14334%0.342CS..Hα-helixtrans-68.1-47175.6179.7-111.9-66.300112.1K145 L146 N147 D151 A152 I153 Q327 I328 H331K145-M149 VanDerWaalsContact O-CB 3.3Å; K145-M149 WeakPolarHBondContact O-CB 3.34Å; K145-M149 PolarHBondContact O-N 3.27Å; L146-M149 HydrophobicContact CD1-CE 4.18Å; N147-M149 VanDerWaalsContact C-N 3.26Å; N147-M149 PolarHBondContact O-N 3.06Å; M149-D151 PolarHBondContact O-N 3.12Å; M149-A152 PolarHBondContact O-N 3.2Å; M149-I153 WeakPolarHBondContact O-CG1 3.16Å; M149-I153 PolarHBondContact O-N 3.46Å; M149-I153 VanDerWaalsContact O-N 3.14Å; M149-Q327 HydrophobicContact CE-CB 4.16Å; M149-Q327 WeakPolarHBondContact CE-O 3.39Å; M149-Q327 HydrophobicContact SD-CB 4.32Å; M149-I328 HydrophobicContact SD-CG1 3.84Å; M149-H331 HydrophobicContact CE-CB 3.62Å
150I88.4Confident81.5Confident11 Ų1174.4 Ų74.46%0.05638%0.378CS..Hα-helixtrans-61.2-30.5176.1-72.2171.6000111.9L86 V87 L146 N147 K155L86-I150 HydrophobicContact CB-CD1 4.14Å; V87-I150 HydrophobicContact CG2-CD1 3.87Å; V87-I150 HydrophobicContact CG2-CG1 4.43Å; L146-I150 HydrophobicContact CD1-CD1 3.68Å; L146-I150 HydrophobicContact CD1-CG1 4.23Å; L146-I150 HydrophobicContact CG-CD1 3.97Å; L146-I150 WeakPolarHBondContact O-CB 3.32Å; L146-I150 VanDerWaalsContact O-CG1 3.32Å; L146-I150 WeakPolarHBondContact O-CG1 3.4Å; L146-I150 PolarHBondContact O-N 3.21Å; N147-I150 PolarHBondContact O-N 3.14Å; N147-I150 VanDerWaalsContact O-N 3.14Å; I150-K155 VanDerWaalsContact O-CE 3.23Å; I150-K155 WeakPolarHBondContact O-CE 3.47Å; I150-K155 PolarHBondContact O-NZ 3.08Å
151D87.6Confident81.1Confident121 Ų12177.9 Ų77.965%0.64739%0.39SS*.Hα-helixtrans-85.4-26.5175.7-79.4-30.9000115.1N147 D148 M149 I153 K155N147-D151 PolarHBondContact O-N 2.75Å; D148-D151 PolarHBondContact O-N 3.17Å; M149-D151 PolarHBondContact O-N 3.12Å; D151-I153 VanDerWaalsContact C-N 3.31Å; D151-I153 PolarHBondContact O-N 2.85Å; D151-K155 IonicContact OD1-NZ 3.22Å; D151-K155 PolarHBondContact OD1-NZ 2.83Å
152A87.6Confident81.1Confident75 Ų7576.9 Ų76.962%0.6239%0.385SS*.Hα-helixtrans-68.7-24.8168.100000113.7D148 M149 P154D148-A152 VanDerWaalsContact O-CB 3.28Å; D148-A152 WeakPolarHBondContact O-CB 3.39Å; D148-A152 PolarHBondContact O-N 2.84Å; M149-A152 PolarHBondContact O-N 3.2Å; A152-P154 VanDerWaalsContact O-CD 3.22Å; A152-P154 WeakPolarHBondContact O-CD 3.38Å
153I85.1Confident81Confident19 Ų1981.1 Ų81.110%0.09741%0.405CS..SBendtrans-56.7118.7176.9-71.5170.2000110.5M149 D151 K155 C162 Q324 I328M149-I153 WeakPolarHBondContact O-CG1 3.16Å; M149-I153 PolarHBondContact O-N 3.46Å; M149-I153 VanDerWaalsContact O-N 3.14Å; D151-I153 VanDerWaalsContact C-N 3.31Å; D151-I153 PolarHBondContact O-N 2.85Å; I153-K155 WeakPolarHBondContact O-CG 3.32Å; I153-K155 PolarHBondContact O-N 2.87Å; I153-C162 HydrophobicContact CG2-CB 3.36Å; I153-Q324 HydrophobicContact CD1-CG 4.03Å; I153-Q324 HydrophobicContact CG1-CG 4.21Å; I153-I328 HydrophobicContact CD1-CD1 3.81Å; I153-I328 HydrophobicContact CD1-CG1 4.2Å
154P80.5Confident81Confident68 Ų6882.7 Ų82.744%0.44241%0.413SS..  trans-64.6108.5-179-24.736.2000112.2A152 C162 Q163A152-P154 VanDerWaalsContact O-CD 3.22Å; A152-P154 WeakPolarHBondContact O-CD 3.38Å; P154-C162 CarbonylContact O-C 3.54Å; P154-C162 VanDerWaalsContact O-CA 3.26Å; P154-C162 WeakPolarHBondContact O-CA 3.29Å; P154-Q163 HydrophobicContact CB-CG 3.95Å; P154-Q163 PolarHBondContact O-N 3.11Å
155K77.9Confident80.9Confident78 Ų7882.1 Ų82.134%0.33940%0.404SS..BIsolated β-bridgetrans-89141.3179.6-68.8141.8-171169.20111.1I150 D151 I153I150-K155 VanDerWaalsContact O-CE 3.23Å; I150-K155 WeakPolarHBondContact O-CE 3.47Å; I150-K155 PolarHBondContact O-NZ 3.08Å; D151-K155 IonicContact OD1-NZ 3.22Å; D151-K155 PolarHBondContact OD1-NZ 2.83Å; I153-K155 WeakPolarHBondContact O-CG 3.32Å; I153-K155 PolarHBondContact O-N 2.87Å
156S70.8Confident80.4Confident31 Ų3178.5 Ų78.522%0.21739%0.39CS..  trans-70.9139.3174.4178.60000110.9K158 N159 R161S156-K158 PolarHBondContact O-N 3.18Å; S156-N159 WeakPolarHBondContact CB-O 3.21Å; S156-R161 PolarHBondContact N-O 3.08Å
157K68.5Low79.1Confident220 Ų22085 Ų8596%0.95742%0.424SS*.SBendtrans-67.8-21.4179.5-67.6-172.2179.4-1780113.6
158K68.1Low77.5Confident195 Ų19585.4 Ų85.485%0.84843%0.426SS*.SBendtrans-95.1-27.3-177.7-65.9-175.7178.6-179.40113.5S156S156-K158 PolarHBondContact O-N 3.18Å
159N65Low76.1Confident98 Ų9881 Ų8152%0.52440%0.403SS..SBendtrans-143.6141.8-173.5-78.4-50.6000109.5S156 R161S156-N159 WeakPolarHBondContact CB-O 3.21Å; N159-R161 HydrophobicContact CB-CG 4.32Å; N159-R161 PolarHBondContact O-N 2.91Å
160K73.4Confident74.7Confident173 Ų17385.1 Ų85.175%0.75242%0.422SS*.SBendtrans-66.219.1177.8-61.7-175.8180179.80115.1
161R80.5Confident73.5Confident133 Ų13392.7 Ų92.750%0.50245%0.454SS..SBendtrans-84.4148174.5-55.3-171.3-175.6-157.31.2109.9S156 N159 H165S156-R161 PolarHBondContact N-O 3.08Å; N159-R161 HydrophobicContact CB-CG 4.32Å; N159-R161 PolarHBondContact O-N 2.91Å; R161-H165 WeakPolarHBondContact CD-O 3.49Å
162C84.7Confident72.2Confident1 Ų188.7 Ų88.71%0.00744%0.435CS..BIsolated β-bridgetrans-70.2164166.465.40000110.4C89 C92 I153 P154 L164 H165 S166C89-C162 PolarHBondContact SG-N 3.43Å; C92-C162 PolarHBondContact SG-SG 3.04Å; I153-C162 HydrophobicContact CG2-CB 3.36Å; P154-C162 CarbonylContact O-C 3.54Å; P154-C162 VanDerWaalsContact O-CA 3.26Å; P154-C162 WeakPolarHBondContact O-CA 3.29Å; C162-L164 VanDerWaalsContact C-N 3.33Å; C162-L164 PolarHBondContact O-N 3.29Å; C162-H165 CarbonylContact O-C 3.55Å; C162-H165 PolarHBondContact O-N 3.32Å; C162-H165 VanDerWaalsContact O-N 3.13Å; C162-H165 PolarHBondContact SG-CE1 3.11Å; C162-H165 PolarHBondContact SG-ND1 3.29Å; C162-S166 PolarHBondContact O-N 2.84Å
163Q81.2Confident71Confident100 Ų10090 Ų9047%0.46743%0.426SS..G310 helixtrans-54.6-47.4176.4-72.7-177.317.400112P154 H165 S166 T169P154-Q163 HydrophobicContact CB-CG 3.95Å; P154-Q163 PolarHBondContact O-N 3.11Å; Q163-H165 PolarHBondContact O-N 3.28Å; Q163-S166 WeakPolarHBondContact O-CB 3.45Å; Q163-S166 PolarHBondContact O-N 3.02Å; Q163-T169 HydrophobicContact CB-CG2 4Å; Q163-T169 WeakPolarHBondContact O-CG2 3.27Å; Q163-T169 PolarHBondContact O-OG1 2.79Å
164L80.9Confident69.5Low35 Ų3591.2 Ų91.218%0.18344%0.436CS..G310 helixtrans-62.3-10.6-179.4-56.8174.4000115C162 R320 Q324C162-L164 VanDerWaalsContact C-N 3.33Å; C162-L164 PolarHBondContact O-N 3.29Å; L164-R320 HydrophobicContact CD1-CB 4.21Å; L164-R320 WeakPolarHBondContact CD1-O 3.38Å; L164-R320 HydrophobicContact CD2-CB 4.37Å; L164-Q324 HydrophobicContact CD1-CB 4.36Å
165H79.9Confident67.9Low41 Ų4195.4 Ų95.419%0.1945%0.454CS..G310 helixtrans-12421.6173.6-62.3123.6000111.9C89 C92 R161 C162 Q163C89-H165 PolarHBondContact SG-CE1 3Å; C92-H165 WeakPolarHBondContact CA-NE2 3.41Å; C92-H165 PolarHBondContact N-CE1 3.37Å; C92-H165 VanDerWaalsContact N-CE1 3.28Å; C92-H165 PolarHBondContact N-ND1 3.31Å; C92-H165 PolarHBondContact N-NE2 3.02Å; C92-H165 PolarHBondContact SG-CE1 3.3Å; C92-H165 PolarHBondContact SG-ND1 3.01Å; C92-H165 VanDerWaalsContact SG-ND1 3.36Å; C92-H165 PolarHBondContact SG-NE2 2.73Å; R161-H165 WeakPolarHBondContact CD-O 3.49Å; C162-H165 CarbonylContact O-C 3.55Å; C162-H165 PolarHBondContact O-N 3.32Å; C162-H165 VanDerWaalsContact O-N 3.13Å; C162-H165 PolarHBondContact SG-CE1 3.11Å; C162-H165 PolarHBondContact SG-ND1 3.29Å; Q163-H165 PolarHBondContact O-N 3.28Å
166S74.6Confident66.5Low11 Ų1193.4 Ų93.48%0.07746%0.455CS..SBendtrans-108.1141.7170.5-157.30000108.7C162 Q163 D168 T169C162-S166 PolarHBondContact O-N 2.84Å; Q163-S166 WeakPolarHBondContact O-CB 3.45Å; Q163-S166 PolarHBondContact O-N 3.02Å; S166-D168 PolarHBondContact O-N 3Å; S166-D168 PolarHBondContact OG-OD2 3.42Å; S166-T169 PolarHBondContact O-N 3.22Å; S166-T169 PolarHBondContact O-OG1 3.06Å; S166-T169 VanDerWaalsContact O-OG1 3.07Å
167L60.1Low65.8Low140 Ų14093 Ų9373%0.73346%0.456SS*.G310 helixtrans-61.1-19.1-176.6-62.1172000113.2T169 H170L167-T169 PolarHBondContact O-N 3.1Å; L167-H170 PolarHBondContact O-N 3.42Å
168D55.6Low65.9Low103 Ų10384.1 Ų84.155%0.55142%0.422SS*.G310 helixtrans-68.2-5.8179.8-42.6-84.9000115.5S166 K173S166-D168 PolarHBondContact O-N 3Å; S166-D168 PolarHBondContact OG-OD2 3.42Å; D168-K173 PolarHBondContact O-NZ 3.2Å
169T58.2Low66.8Low18 Ų1876.9 Ų76.911%0.1139%0.389CS..G310 helixtrans-95.3-19175.7480000114.7Q163 S166 L167 K171 Q317Q163-T169 HydrophobicContact CB-CG2 4Å; Q163-T169 WeakPolarHBondContact O-CG2 3.27Å; Q163-T169 PolarHBondContact O-OG1 2.79Å; S166-T169 PolarHBondContact O-N 3.22Å; S166-T169 PolarHBondContact O-OG1 3.06Å; S166-T169 VanDerWaalsContact O-OG1 3.07Å; L167-T169 PolarHBondContact O-N 3.1Å; T169-K171 PolarHBondContact O-N 2.8Å; T169-K171 VanDerWaalsContact O-N 3.15Å; T169-Q317 PolarHBondContact O-NE2 3.35Å; T169-Q317 VanDerWaalsContact O-NE2 3.08Å
170H59.3Low67.9Low117 Ų11776.1 Ų76.154%0.54238%0.383SS..SBendtrans-69.5-11.9-176.2-63.9-65.7000114.4L167L167-H170 PolarHBondContact O-N 3.42Å
171K63.6Low68.6Low170 Ų17070.9 Ų70.974%0.73936%0.364SS*.SBendtrans-92.5123.1173.8-67.1-163.6174-166.40110.3T169 K173T169-K171 PolarHBondContact O-N 2.8Å; T169-K171 VanDerWaalsContact O-N 3.15Å; K171-K173 PolarHBondContact O-N 2.91Å; K171-K173 VanDerWaalsContact O-N 3.12Å
172P60.8Low69.1Low36 Ų3664.6 Ų64.623%0.23434%0.34CS..PPolyproline II helixtrans-56.6118.4172.4-20.130.4000110.3F279 Y309P172-F279 HydrophobicContact CB-CD1 4.12Å; P172-F279 HydrophobicContact CB-CE1 4.47Å; P172-Y309 HydrophobicContact CB-CD1 4.34Å; P172-Y309 HydrophobicContact CB-CE1 3.68Å
173K63.2Low69.5Low102 Ų10264.7 Ų64.744%0.44334%0.34SS..PPolyproline II helixtrans-91.9132.9174.8-71.6171.4-173.2159.90107.9D168 K171 L175 G176 Y309D168-K173 PolarHBondContact O-NZ 3.2Å; K171-K173 PolarHBondContact O-N 2.91Å; K171-K173 VanDerWaalsContact O-N 3.12Å; K173-L175 PolarHBondContact O-N 3.06Å; K173-G176 PolarHBondContact O-N 3.37Å; K173-Y309 PolarHBondContact O-OH 3.21Å; K173-Y309 VanDerWaalsContact O-OH 3.11Å
174P51.7Low70.1Confident46 Ų4666.8 Ų66.830%0.29935%0.35SS..THydrogen-bonded Turntrans-47.7-36-174.4-31.434.5000114.9F279 Y309P174-F279 HydrophobicContact CG-CB 4.3Å; P174-F279 WeakPolarHBondContact CG-O 3.25Å; P174-Y309 PolarHBondContact O-OH 3.41Å
175L48.3Very low70.7Confident155 Ų15566.7 Ų66.781%0.81235%0.35SS*.THydrogen-bonded Turntrans-130.737.9179.7-59.6170.9000111.4K173K173-L175 PolarHBondContact O-N 3.06Å
176G47.3Very low71.4Confident36 Ų3665 Ų6537%0.37134%0.341SS..SBendtrans-77.2-20.3-174.700000115.9K173K173-G176 PolarHBondContact O-N 3.37Å
177G57.6Low72.5Confident23 Ų2365.8 Ų65.824%0.23735%0.347CS..SBendtrans180140.7178.800000106W179G177-W179 PolarHBondContact O-N 2.9Å
178S70.6Confident74.2Confident34 Ų3463.4 Ų63.424%0.23833%0.332CS..  trans-72.5135.7-177-165.30000108.9M180 D181S178-M180 PolarHBondContact O-N 3.45Å; S178-M180 WeakPolarHBondContact OG-CB 3.36Å; S178-M180 VanDerWaalsContact OG-CE 3.28Å; S178-M180 WeakPolarHBondContact OG-CE 3.29Å; S178-M180 PolarHBondContact OG-N 3.23Å; S178-D181 VanDerWaalsContact CB-CG 3.46Å; S178-D181 VanDerWaalsContact CB-OD1 3.27Å; S178-D181 WeakPolarHBondContact CB-OD1 3.2Å; S178-D181 PolarHBondContact N-OD2 3.48Å; S178-D181 WeakPolarHBondContact O-CB 3.45Å; S178-D181 PolarHBondContact O-N 2.88Å
179W86.3Confident76.1Confident43 Ų4361.7 Ų61.716%0.16332%0.321CS..Hα-helixtrans-60.8-29.6167.262.5-93.3000110.3G177 D181 V182 W183 T265 I268 A269 L272 L312G177-W179 PolarHBondContact O-N 2.9Å; W179-D181 VanDerWaalsContact C-N 3.28Å; W179-D181 PolarHBondContact O-N 3.42Å; W179-V182 PolarHBondContact O-N 3.46Å; W179-W183 HydrophobicContact CE3-CB 4.09Å; W179-W183 HydrophobicContact CE3-CG 4.32Å; W179-W183 HydrophobicContact CZ3-CB 4.2Å; W179-W183 HydrophobicContact CZ3-CD2 4.49Å; W179-W183 HydrophobicContact CZ3-CG 4Å; W179-W183 WeakPolarHBondContact O-CB 3.43Å; W179-W183 PolarHBondContact O-N 2.94Å; W179-T265 HydrophobicContact CH2-CG2 3.91Å; W179-T265 HydrophobicContact CZ3-CG2 4.21Å; W179-I268 HydrophobicContact CE3-CG2 4.3Å; W179-I268 HydrophobicContact CH2-CG2 4.43Å; W179-I268 HydrophobicContact CZ3-CG2 3.94Å; W179-A269 HydrophobicContact CH2-CB 3.79Å; W179-A269 HydrophobicContact CZ2-CB 3.57Å; W179-L272 HydrophobicContact CB-CD1 4.17Å; W179-L272 HydrophobicContact CD2-CD1 3.31Å; W179-L272 HydrophobicContact CE3-CD1 3.7Å; W179-L272 HydrophobicContact CG-CD1 3.51Å; W179-L272 HydrophobicContact CZ2-CD1 4.23Å; W179-L272 HydrophobicContact CZ3-CD1 4.29Å; W179-L312 HydrophobicContact CB-CD1 4.31Å
180M88.9Confident77.9Confident82 Ų8260.8 Ų60.840%0.40432%0.316SS..Hα-helixtrans-61-34.3171.7-54.9-178.5-73.300112S178 V182 W183 E184S178-M180 PolarHBondContact O-N 3.45Å; S178-M180 WeakPolarHBondContact OG-CB 3.36Å; S178-M180 VanDerWaalsContact OG-CE 3.28Å; S178-M180 WeakPolarHBondContact OG-CE 3.29Å; S178-M180 PolarHBondContact OG-N 3.23Å; M180-V182 PolarHBondContact O-N 3.33Å; M180-V182 VanDerWaalsContact O-N 3.13Å; M180-W183 PolarHBondContact O-N 2.93Å; M180-E184 WeakPolarHBondContact O-CB 3.22Å; M180-E184 WeakPolarHBondContact O-CG 3.48Å; M180-E184 PolarHBondContact O-N 3.49Å
181D87.4Confident79.7Confident63 Ų6357.6 Ų57.634%0.33730%0.299SS..Hα-helixtrans-56.5-32.7177.8-59.3-25.1000111.3S178 W179 L185S178-D181 VanDerWaalsContact CB-CG 3.46Å; S178-D181 VanDerWaalsContact CB-OD1 3.27Å; S178-D181 WeakPolarHBondContact CB-OD1 3.2Å; S178-D181 PolarHBondContact N-OD2 3.48Å; S178-D181 WeakPolarHBondContact O-CB 3.45Å; S178-D181 PolarHBondContact O-N 2.88Å; W179-D181 VanDerWaalsContact C-N 3.28Å; W179-D181 PolarHBondContact O-N 3.42Å; D181-L185 WeakPolarHBondContact O-CD1 3.38Å; D181-L185 WeakPolarHBondContact O-CG 3.49Å
182V90.3Very high81.1Confident0 Ų053.1 Ų53.10%028%0.283CS..Hα-helixtrans-91.4-43.2176.7-161.10000111.1L4 W179 M180 E184 L185 M186 I315 W316 L319L4-V182 HydrophobicContact CD1-CG1 3.83Å; W179-V182 PolarHBondContact O-N 3.46Å; M180-V182 PolarHBondContact O-N 3.33Å; M180-V182 VanDerWaalsContact O-N 3.13Å; V182-E184 VanDerWaalsContact C-N 3.27Å; V182-E184 PolarHBondContact O-N 2.82Å; V182-L185 CarbonylContact O-C 3.59Å; V182-L185 WeakPolarHBondContact O-CA 3.42Å; V182-L185 WeakPolarHBondContact O-CB 3.47Å; V182-L185 PolarHBondContact O-N 3.41Å; V182-M186 HydrophobicContact CB-CE 4.39Å; V182-M186 HydrophobicContact CG1-CE 3.63Å; V182-M186 HydrophobicContact CG1-CG 4.49Å; V182-M186 WeakPolarHBondContact O-CG 3.23Å; V182-M186 PolarHBondContact O-N 3.09Å; V182-I315 HydrophobicContact CG1-CG2 3.87Å; V182-W316 HydrophobicContact CG2-CB 3.59Å; V182-W316 HydrophobicContact CG2-CG 3.96Å; V182-L319 HydrophobicContact CG1-CD2 4.27Å
183W93.9Very high82.7Confident3 Ų354.1 Ų54.11%0.01128%0.284CS..Hα-helixtrans-57.8-38.6-176.7-169.6-108000112.4W179 M180 L185 M186 R191 V194 V195 T265 I268 L312W179-W183 HydrophobicContact CE3-CB 4.09Å; W179-W183 HydrophobicContact CE3-CG 4.32Å; W179-W183 HydrophobicContact CZ3-CB 4.2Å; W179-W183 HydrophobicContact CZ3-CD2 4.49Å; W179-W183 HydrophobicContact CZ3-CG 4Å; W179-W183 WeakPolarHBondContact O-CB 3.43Å; W179-W183 PolarHBondContact O-N 2.94Å; M180-W183 PolarHBondContact O-N 2.93Å; W183-L185 VanDerWaalsContact C-N 3.32Å; W183-M186 HydrophobicContact CE3-SD 3.99Å; W183-M186 HydrophobicContact CZ3-SD 4.43Å; W183-M186 PolarHBondContact O-N 3.31Å; W183-R191 HydrophobicContact CD2-CG 4.13Å; W183-R191 HydrophobicContact CE3-CB 4.44Å; W183-R191 HydrophobicContact CE3-CG 3.91Å; W183-R191 HydrophobicContact CH2-CB 3.68Å; W183-R191 HydrophobicContact CH2-CG 3.9Å; W183-R191 HydrophobicContact CZ2-CB 4.2Å; W183-R191 HydrophobicContact CZ2-CG 4.11Å; W183-R191 HydrophobicContact CZ3-CB 3.82Å; W183-R191 HydrophobicContact CZ3-CG 3.79Å; W183-R191 VanDerWaalsContact O-CZ 3.31Å; W183-R191 PolarHBondContact O-NE 3.5Å; W183-R191 PolarHBondContact O-NH2 2.83Å; W183-V194 HydrophobicContact CZ3-CG1 4.37Å; W183-V195 HydrophobicContact CH2-CG1 3.74Å; W183-V195 HydrophobicContact CZ3-CG1 4.26Å; W183-T265 PolarHBondContact NE1-OG1 3.18Å; W183-I268 HydrophobicContact CH2-CG1 4.01Å; W183-I268 HydrophobicContact CZ2-CG1 3.93Å; W183-L312 HydrophobicContact CE3-CD2 4.14Å
184E93.1Very high84.3Confident145 Ų14549.2 Ų49.268%0.67826%0.263SS*.THydrogen-bonded Turntrans-71.1-24.5174.3-68.4-179.8-172.800113.3M180 V182M180-E184 WeakPolarHBondContact O-CB 3.22Å; M180-E184 WeakPolarHBondContact O-CG 3.48Å; M180-E184 PolarHBondContact O-N 3.49Å; V182-E184 VanDerWaalsContact C-N 3.27Å; V182-E184 PolarHBondContact O-N 2.82Å
185L92.9Very high86.4Confident33 Ų3347.4 Ų47.417%0.17325%0.251CS..THydrogen-bonded Turntrans-87.3-12.9177.9-65.3173.8000113.5M1 A2 R3 L4 D181 V182 W183 L319M1-L185 HydrophobicContact CB-CD1 3.64Å; M1-L185 HydrophobicContact CE-CD1 3.98Å; M1-L185 HydrophobicContact SD-CD1 4.44Å; A2-L185 WeakPolarHBondContact O-CD1 3.44Å; R3-L185 WeakPolarHBondContact CA-O 2.99Å; R3-L185 WeakPolarHBondContact CB-O 3.38Å; R3-L185 HydrophobicContact CG-CD2 4.18Å; L4-L185 PolarHBondContact N-O 2.93Å; D181-L185 WeakPolarHBondContact O-CD1 3.38Å; D181-L185 WeakPolarHBondContact O-CG 3.49Å; V182-L185 CarbonylContact O-C 3.59Å; V182-L185 WeakPolarHBondContact O-CA 3.42Å; V182-L185 WeakPolarHBondContact O-CB 3.47Å; V182-L185 PolarHBondContact O-N 3.41Å; W183-L185 VanDerWaalsContact C-N 3.32Å; L185-L319 HydrophobicContact CD1-CD2 4.32Å
186M95.7Very high88.6Confident4 Ų441.7 Ų41.72%0.0222%0.221CC..BIsolated β-bridgetrans-78.5142174.6-69174.9-177.900112.9L4 V182 W183 C190 R191 V194 L312 I315L4-M186 HydrophobicContact CB-CG 4.13Å; L4-M186 HydrophobicContact CD1-CE 4.09Å; L4-M186 HydrophobicContact CD1-CG 3.91Å; L4-M186 CarbonylContact O-C 3.58Å; L4-M186 WeakPolarHBondContact O-CA 3.49Å; V182-M186 HydrophobicContact CB-CE 4.39Å; V182-M186 HydrophobicContact CG1-CE 3.63Å; V182-M186 HydrophobicContact CG1-CG 4.49Å; V182-M186 WeakPolarHBondContact O-CG 3.23Å; V182-M186 PolarHBondContact O-N 3.09Å; W183-M186 HydrophobicContact CE3-SD 3.99Å; W183-M186 HydrophobicContact CZ3-SD 4.43Å; W183-M186 PolarHBondContact O-N 3.31Å; M186-C190 HydrophobicContact CB-CB 3.93Å; M186-C190 HydrophobicContact CG-CB 4.08Å; M186-R191 HydrophobicContact CB-CG 3.67Å; M186-R191 HydrophobicContact CG-CG 4.45Å; M186-R191 HydrophobicContact SD-CG 3.95Å; M186-V194 HydrophobicContact CE-CG2 4.01Å; M186-V194 HydrophobicContact SD-CG2 4.37Å; M186-L312 HydrophobicContact CE-CD2 3.88Å; M186-I315 HydrophobicContact CE-CD1 4Å; M186-I315 HydrophobicContact CE-CG2 4.05Å
187S96.7Very high90.8Very high28 Ų2840 Ų4020%0.19620%0.204CC..  trans-69.6168.6158.674.70000110.8L4 V5 C190 R191L4-S187 PolarHBondContact O-N 2.95Å; V5-S187 VanDerWaalsContact C-OG 3.3Å; V5-S187 WeakPolarHBondContact O-CB 3.46Å; V5-S187 PolarHBondContact O-OG 2.84Å; S187-C190 PolarHBondContact O-N 3.32Å; S187-C190 PolarHBondContact OG-N 2.93Å; S187-C190 PolarHBondContact OG-SG 3.04Å; S187-R191 WeakPolarHBondContact O-CG 3.29Å; S187-R191 PolarHBondContact O-N 2.72Å; S187-R191 VanDerWaalsContact O-N 3.14Å
188Q95.9Very high92.5Very high90 Ų9041.5 Ų41.542%0.42121%0.206SC..Hα-helixtrans-64.3-42.7-179.3-167.755.239.100112C190 R191 D192 C263Q188-C190 VanDerWaalsContact C-N 3.32Å; Q188-C190 PolarHBondContact O-N 2.98Å; Q188-R191 WeakPolarHBondContact O-CA 3.48Å; Q188-R191 WeakPolarHBondContact O-CB 3.29Å; Q188-R191 PolarHBondContact O-N 3.12Å; Q188-D192 PolarHBondContact NE2-OD1 3.01Å; Q188-D192 PolarHBondContact O-N 3.47Å; Q188-C263 PolarHBondContact NE2-SG 2.84Å
189E95.3Very high93.7Very high67 Ų6740 Ų4031%0.31320%0.196SC..Hα-helixtrans-56.6-44174.5-177.1-178.6-132.400111.9A6 V7 R9 R191 D192 E193A6-E189 WeakPolarHBondContact CA-OE2 3.34Å; V7-E189 HydrophobicContact CB-CG 4.44Å; V7-E189 HydrophobicContact CG2-CG 4.13Å; V7-E189 PolarHBondContact N-OE2 2.97Å; R9-E189 IonicContact CZ-OE1 3.71Å; R9-E189 IonicContact NE-OE1 3.98Å; R9-E189 IonicContact NH2-OE1 2.69Å; R9-E189 PolarHBondContact NH2-OE1 2.8Å; E189-R191 PolarHBondContact O-N 2.89Å; E189-D192 PolarHBondContact O-N 3.48Å; E189-E193 WeakPolarHBondContact O-CB 3.47Å; E189-E193 PolarHBondContact O-N 3.07Å
190C96.3Very high94.1Very high0 Ų040.1 Ų40.10%021%0.206CC..Hα-helixtrans-64.2-27.5176.2-670000113.4L4 A6 M32 M186 S187 Q188 V194L4-C190 HydrophobicContact CB-CB 4.31Å; A6-C190 VanDerWaalsContact C-SG 3.56Å; A6-C190 PolarHBondContact N-SG 3.42Å; A6-C190 VanDerWaalsContact N-SG 3.44Å; A6-C190 PolarHBondContact O-SG 2.84Å; M32-C190 HydrophobicContact CE-CB 3.78Å; M32-C190 WeakPolarHBondContact CE-O 3.14Å; M186-C190 HydrophobicContact CB-CB 3.93Å; M186-C190 HydrophobicContact CG-CB 4.08Å; S187-C190 PolarHBondContact O-N 3.32Å; S187-C190 PolarHBondContact OG-N 2.93Å; S187-C190 PolarHBondContact OG-SG 3.04Å; Q188-C190 VanDerWaalsContact C-N 3.32Å; Q188-C190 PolarHBondContact O-N 2.98Å; C190-V194 VanDerWaalsContact O-CG2 3.22Å; C190-V194 WeakPolarHBondContact O-CG2 3.41Å
191R96.8Very high94.3Very high50 Ų5038.8 Ų38.819%0.18920%0.204CC..Hα-helixtrans-80.1-44.9174.9-65.7176.6-176.8151.70.6111.8W183 M186 S187 Q188 E189 E193 V194 V195 C263W183-R191 HydrophobicContact CD2-CG 4.13Å; W183-R191 HydrophobicContact CE3-CB 4.44Å; W183-R191 HydrophobicContact CE3-CG 3.91Å; W183-R191 HydrophobicContact CH2-CB 3.68Å; W183-R191 HydrophobicContact CH2-CG 3.9Å; W183-R191 HydrophobicContact CZ2-CB 4.2Å; W183-R191 HydrophobicContact CZ2-CG 4.11Å; W183-R191 HydrophobicContact CZ3-CB 3.82Å; W183-R191 HydrophobicContact CZ3-CG 3.79Å; W183-R191 VanDerWaalsContact O-CZ 3.31Å; W183-R191 PolarHBondContact O-NE 3.5Å; W183-R191 PolarHBondContact O-NH2 2.83Å; M186-R191 HydrophobicContact CB-CG 3.67Å; M186-R191 HydrophobicContact CG-CG 4.45Å; M186-R191 HydrophobicContact SD-CG 3.95Å; S187-R191 WeakPolarHBondContact O-CG 3.29Å; S187-R191 PolarHBondContact O-N 2.72Å; S187-R191 VanDerWaalsContact O-N 3.14Å; Q188-R191 WeakPolarHBondContact O-CA 3.48Å; Q188-R191 WeakPolarHBondContact O-CB 3.29Å; Q188-R191 PolarHBondContact O-N 3.12Å; E189-R191 PolarHBondContact O-N 2.89Å; R191-E193 PolarHBondContact O-N 3.46Å; R191-V194 WeakPolarHBondContact O-CA 3.48Å; R191-V194 WeakPolarHBondContact O-CB 3.33Å; R191-V194 PolarHBondContact O-N 2.94Å; R191-V195 WeakPolarHBondContact O-CG2 3.27Å; R191-V195 PolarHBondContact O-N 2.78Å; R191-C263 WeakPolarHBondContact CB-SG 3.43Å
192D95Very high94.7Very high76 Ų7635.8 Ų35.841%0.40619%0.188SC..Hα-helixtrans-54.8-43.2178.5-63.4-27.5000110.3Q188 E189 V194 V195 L196Q188-D192 PolarHBondContact NE2-OD1 3.01Å; Q188-D192 PolarHBondContact O-N 3.47Å; E189-D192 PolarHBondContact O-N 3.48Å; D192-V194 PolarHBondContact O-N 3.06Å; D192-V195 VanDerWaalsContact O-CG2 3.24Å; D192-V195 WeakPolarHBondContact O-CG2 3.37Å; D192-V195 PolarHBondContact O-N 3.27Å; D192-L196 PolarHBondContact O-N 2.87Å; D192-L196 VanDerWaalsContact O-N 3.11Å
193E94.4Very high95Very high56 Ų5638.3 Ų38.326%0.26220%0.201SC..Hα-helixtrans-65.4-34.8174.3-177.653.6-131.300113.4V7 L30 E189 R191 R311V7-E193 HydrophobicContact CG1-CG 4.15Å; V7-E193 HydrophobicContact CG2-CB 3.91Å; V7-E193 HydrophobicContact CG2-CG 4.03Å; L30-E193 HydrophobicContact CD1-CG 3.53Å; E189-E193 WeakPolarHBondContact O-CB 3.47Å; E189-E193 PolarHBondContact O-N 3.07Å; R191-E193 PolarHBondContact O-N 3.46Å; E193-R311 VanDerWaalsContact O-CZ 3.26Å; E193-R311 PolarHBondContact O-NH1 2.88Å; E193-R311 PolarHBondContact O-NH2 3.28Å; E193-R311 IonicContact OE1-NH2 3.88Å; E193-R311 PolarHBondContact OE1-NH2 2.7Å
194V95.2Very high95.2Very high0 Ų044.5 Ų44.50%023%0.23CC..Hα-helixtrans-73.8-29.8178.6167.20000112.5M32 W183 M186 C190 R191 D192 L308 R311 L312 I315M32-V194 HydrophobicContact CE-CG2 3.65Å; W183-V194 HydrophobicContact CZ3-CG1 4.37Å; M186-V194 HydrophobicContact CE-CG2 4.01Å; M186-V194 HydrophobicContact SD-CG2 4.37Å; C190-V194 VanDerWaalsContact O-CG2 3.22Å; C190-V194 WeakPolarHBondContact O-CG2 3.41Å; R191-V194 WeakPolarHBondContact O-CA 3.48Å; R191-V194 WeakPolarHBondContact O-CB 3.33Å; R191-V194 PolarHBondContact O-N 2.94Å; D192-V194 PolarHBondContact O-N 3.06Å; V194-L308 WeakPolarHBondContact O-CD2 3.48Å; V194-R311 VanDerWaalsContact C-NH1 3.33Å; V194-R311 PolarHBondContact O-NH1 2.86Å; V194-L312 HydrophobicContact CG1-CD2 3.84Å; V194-L312 HydrophobicContact CG1-CG 4.1Å; V194-I315 HydrophobicContact CG2-CD1 3.49Å; V194-I315 VanDerWaalsContact CG2-CD1 3.49Å
195V95.9Very high95.3Very high7 Ų738.7 Ų38.74%0.04221%0.205CC..Hα-helixtrans-89.6-6.3176.9-59.10000114W183 R191 D192 V261 C263 I268W183-V195 HydrophobicContact CH2-CG1 3.74Å; W183-V195 HydrophobicContact CZ3-CG1 4.26Å; R191-V195 WeakPolarHBondContact O-CG2 3.27Å; R191-V195 PolarHBondContact O-N 2.78Å; D192-V195 VanDerWaalsContact O-CG2 3.24Å; D192-V195 WeakPolarHBondContact O-CG2 3.37Å; D192-V195 PolarHBondContact O-N 3.27Å; V195-V261 HydrophobicContact CB-CB 4.06Å; V195-V261 WeakPolarHBondContact CB-O 3.17Å; V195-V261 VanDerWaalsContact CG2-O 3.3Å; V195-V261 WeakPolarHBondContact CG2-O 3.34Å; V195-V261 PolarHBondContact O-N 2.91Å; V195-C263 HydrophobicContact CG2-CB 4.11Å; V195-I268 HydrophobicContact CG1-CD1 3.7Å; V195-I268 HydrophobicContact CG1-CG1 4.44Å
196L94.7Very high95.5Very high36 Ų3637.2 Ų37.219%0.18820%0.197CC..EExtended strand (participates in β ladder)trans-80.6113.1166.1-173.270.8000109.6D192 H258 H260 R311D192-L196 PolarHBondContact O-N 2.87Å; D192-L196 VanDerWaalsContact O-N 3.11Å; L196-H258 HydrophobicContact CD1-CB 3.74Å; L196-H258 HydrophobicContact CG-CB 4.5Å; L196-H260 WeakPolarHBondContact CD1-CE1 3.21Å; L196-H260 WeakPolarHBondContact CD1-ND1 3.4Å; L196-R311 PolarHBondContact O-NH1 3.35Å
197I94.6Very high95.5Very high1 Ų141.3 Ų41.31%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-118.9128.7-174.7-60.1173.4000109.4L202 I259 V261 L304 L308I197-L202 HydrophobicContact CG2-CB 4.13Å; I197-I259 HydrophobicContact CB-CB 4.48Å; I197-I259 PolarHBondContact N-O 3.4Å; I197-I259 PolarHBondContact O-N 3.4Å; I197-V261 HydrophobicContact CD1-CG2 3.73Å; I197-V261 HydrophobicContact CG1-CG2 4.5Å; I197-L304 HydrophobicContact CD1-CD2 3.72Å; I197-L308 HydrophobicContact CD1-CD1 4.45Å; I197-L308 HydrophobicContact CD1-CD2 3.92Å; I197-L308 HydrophobicContact CD1-CG 3.94Å; I197-L308 HydrophobicContact CG1-CD2 4.43Å
198D93.4Very high95.4Very high54 Ų5444 Ų4429%0.28923%0.231SC..EExtended strand (participates in β ladder)trans-66.9135.8168.3169.1-103.6000111.3A200 C201 L202D198-A200 PolarHBondContact O-N 2.94Å; D198-A200 VanDerWaalsContact OD1-CA 3.32Å; D198-A200 WeakPolarHBondContact OD1-CA 3.32Å; D198-A200 VanDerWaalsContact OD1-CB 3.26Å; D198-A200 WeakPolarHBondContact OD1-CB 3.29Å; D198-A200 PolarHBondContact OD1-N 2.93Å; D198-C201 HydrophobicContact CB-CB 4.25Å; D198-C201 PolarHBondContact O-N 3.3Å; D198-C201 PolarHBondContact OD1-N 3.2Å; D198-L202 PolarHBondContact O-N 2.65Å
199S94.6Very high95.3Very high3 Ų340 Ų402%0.02121%0.212CC..Hα-helixtrans-63.7-36.8-178.458.90000113.6L202 L203 Y227 R257S199-L202 PolarHBondContact O-N 3.03Å; S199-L203 WeakPolarHBondContact O-CB 3.32Å; S199-L203 PolarHBondContact O-N 3.41Å; S199-Y227 WeakPolarHBondContact CB-OH 3.43Å; S199-Y227 PolarHBondContact O-OH 2.86Å; S199-R257 WeakPolarHBondContact CB-O 3.49Å; S199-R257 PolarHBondContact N-O 3.42Å; S199-R257 WeakPolarHBondContact OG-CB 3.16Å; S199-R257 PolarHBondContact OG-O 3.15Å
200A94.4Very high95.2Very high45 Ų4537.1 Ų37.137%0.37220%0.199SC..Hα-helixtrans-69.3-41.4177.500000111.2D198 L202 L203 E204D198-A200 PolarHBondContact O-N 2.94Å; D198-A200 VanDerWaalsContact OD1-CA 3.32Å; D198-A200 WeakPolarHBondContact OD1-CA 3.32Å; D198-A200 VanDerWaalsContact OD1-CB 3.26Å; D198-A200 WeakPolarHBondContact OD1-CB 3.29Å; D198-A200 PolarHBondContact OD1-N 2.93Å; A200-L202 VanDerWaalsContact C-N 3.29Å; A200-L202 PolarHBondContact O-N 2.7Å; A200-L203 WeakPolarHBondContact O-CA 3.16Å; A200-L203 WeakPolarHBondContact O-CB 3.27Å; A200-L203 PolarHBondContact O-N 2.92Å; A200-E204 WeakPolarHBondContact O-CG 3.46Å; A200-E204 PolarHBondContact O-N 2.92Å
201C94.3Very high94.9Very high53 Ų5344.4 Ų44.436%0.35823%0.226SC..Hα-helixtrans-60.7-35.3172.1-67.10000112.9D198 T205D198-C201 HydrophobicContact CB-CB 4.25Å; D198-C201 PolarHBondContact O-N 3.3Å; D198-C201 PolarHBondContact OD1-N 3.2Å; C201-T205 PolarHBondContact O-N 3.45Å; C201-T205 PolarHBondContact O-OG1 3.45Å
202L96.1Very high94.6Very high1 Ų146.2 Ų46.21%0.00524%0.236CC..Hα-helixtrans-68.8-39.9170.5-176.863000111.8I197 D198 S199 A200 T205 L206 Y227 L230 I259 C303 L304 H307I197-L202 HydrophobicContact CG2-CB 4.13Å; D198-L202 PolarHBondContact O-N 2.65Å; S199-L202 PolarHBondContact O-N 3.03Å; A200-L202 VanDerWaalsContact C-N 3.29Å; A200-L202 PolarHBondContact O-N 2.7Å; L202-T205 VanDerWaalsContact O-CB 3.32Å; L202-T205 WeakPolarHBondContact O-CB 3.44Å; L202-T205 PolarHBondContact O-N 3.48Å; L202-L206 WeakPolarHBondContact O-CB 3.3Å; L202-L206 PolarHBondContact O-N 2.93Å; L202-Y227 HydrophobicContact CB-CE2 4.44Å; L202-Y227 HydrophobicContact CD2-CD2 4.12Å; L202-Y227 HydrophobicContact CD2-CE2 4.19Å; L202-Y227 HydrophobicContact CG-CD2 4.44Å; L202-Y227 HydrophobicContact CG-CE2 4.37Å; L202-L230 HydrophobicContact CD2-CD2 4.19Å; L202-I259 HydrophobicContact CB-CD1 4.34Å; L202-I259 HydrophobicContact CD2-CD1 3.39Å; L202-I259 HydrophobicContact CG-CD1 4.49Å; L202-C303 HydrophobicContact CD1-CB 4.36Å; L202-L304 HydrophobicContact CD1-CD2 3.93Å; L202-L304 HydrophobicContact CD1-CG 4.05Å; L202-L304 HydrophobicContact CD2-CD2 3.65Å; L202-L304 HydrophobicContact CD2-CG 3.98Å; L202-L304 HydrophobicContact CG-CD2 4.43Å; L202-H307 HydrophobicContact CD1-CB 4.46Å
203L96.7Very high94.4Very high53 Ų5342.9 Ų42.928%0.27722%0.218SC..Hα-helixtrans-63.9-40.8178.1-176.758.3000112.2S199 A200 T205 L206 E207 I224 Y227S199-L203 WeakPolarHBondContact O-CB 3.32Å; S199-L203 PolarHBondContact O-N 3.41Å; A200-L203 WeakPolarHBondContact O-CA 3.16Å; A200-L203 WeakPolarHBondContact O-CB 3.27Å; A200-L203 PolarHBondContact O-N 2.92Å; L203-T205 VanDerWaalsContact C-N 3.31Å; L203-T205 PolarHBondContact O-N 2.93Å; L203-L206 HydrophobicContact CD1-CD2 4.36Å; L203-L206 WeakPolarHBondContact O-CB 3.46Å; L203-L206 PolarHBondContact O-N 2.88Å; L203-E207 PolarHBondContact O-N 3.5Å; L203-I224 HydrophobicContact CD1-CD1 4.02Å; L203-Y227 HydrophobicContact CB-CE1 4.4Å; L203-Y227 HydrophobicContact CB-CE2 4.26Å; L203-Y227 HydrophobicContact CD1-CD1 4.15Å; L203-Y227 HydrophobicContact CD1-CE1 3.95Å; L203-Y227 HydrophobicContact CD2-CE1 4.33Å; L203-Y227 HydrophobicContact CG-CE1 4.46Å
204E96.9Very high94.1Very high132 Ų13249.8 Ų49.862%0.61724%0.241SC*.Hα-helixtrans-60.4-40.9172.1-71.7-177.8172.600112.1A200 T208A200-E204 WeakPolarHBondContact O-CG 3.46Å; A200-E204 PolarHBondContact O-N 2.92Å; E204-T208 VanDerWaalsContact O-CB 3.28Å; E204-T208 WeakPolarHBondContact O-CB 3.39Å; E204-T208 PolarHBondContact O-N 2.86Å; E204-T208 PolarHBondContact O-OG1 3.32Å
205T96.3Very high94Very high24 Ų2449.9 Ų49.915%0.14724%0.242CC..Hα-helixtrans-62-46.4174.3-51.90000110.2C201 L202 L203 T208 Y209 C303 I306 H307C201-T205 PolarHBondContact O-N 3.45Å; C201-T205 PolarHBondContact O-OG1 3.45Å; L202-T205 VanDerWaalsContact O-CB 3.32Å; L202-T205 WeakPolarHBondContact O-CB 3.44Å; L202-T205 PolarHBondContact O-N 3.48Å; L203-T205 VanDerWaalsContact C-N 3.31Å; L203-T205 PolarHBondContact O-N 2.93Å; T205-T208 PolarHBondContact O-N 3.29Å; T205-Y209 WeakPolarHBondContact O-CB 3.18Å; T205-Y209 PolarHBondContact O-N 3.34Å; T205-C303 HydrophobicContact CG2-CB 4.48Å; T205-I306 HydrophobicContact CG2-CB 4.3Å; T205-I306 HydrophobicContact CG2-CG2 3.94Å; T205-H307 HydrophobicContact CG2-CB 4.27Å; T205-H307 PolarHBondContact OG1-ND1 3.28Å
206L96.8Very high93.9Very high1 Ų151.9 Ų51.91%0.00526%0.255CS..Hα-helixtrans-65-44.8-179.3-169.464.1000112.4L202 L203 Y209 L210 V223 I224 Y227 V300 C303L202-L206 WeakPolarHBondContact O-CB 3.3Å; L202-L206 PolarHBondContact O-N 2.93Å; L203-L206 HydrophobicContact CD1-CD2 4.36Å; L203-L206 WeakPolarHBondContact O-CB 3.46Å; L203-L206 PolarHBondContact O-N 2.88Å; L206-Y209 WeakPolarHBondContact O-CB 3.21Å; L206-Y209 PolarHBondContact O-N 3.08Å; L206-L210 HydrophobicContact CG-CD1 4.31Å; L206-L210 WeakPolarHBondContact O-CB 3.32Å; L206-L210 VanDerWaalsContact O-CG 3.25Å; L206-L210 WeakPolarHBondContact O-CG 3.37Å; L206-L210 PolarHBondContact O-N 3.43Å; L206-V223 HydrophobicContact CD1-CG1 3.52Å; L206-V223 HydrophobicContact CD2-CG1 4.26Å; L206-V223 HydrophobicContact CG-CG1 4.1Å; L206-I224 HydrophobicContact CD2-CD1 3.93Å; L206-I224 HydrophobicContact CG-CD1 4.41Å; L206-Y227 HydrophobicContact CD2-CD2 4.08Å; L206-Y227 HydrophobicContact CD2-CG 3.77Å; L206-V300 HydrophobicContact CD1-CG2 4.22Å; L206-C303 HydrophobicContact CD1-CB 3.87Å; L206-C303 WeakPolarHBondContact CD1-SG 3.45Å
207E95.9Very high93.8Very high91 Ų9154.6 Ų54.643%0.42527%0.274SS..Hα-helixtrans-60.7-47.5173.9-81.2-154.9179.400111.8L203 Y209 L210 R211L203-E207 PolarHBondContact O-N 3.5Å; E207-Y209 VanDerWaalsContact C-N 3.27Å; E207-Y209 PolarHBondContact O-N 3.46Å; E207-L210 PolarHBondContact O-N 3.17Å; E207-R211 WeakPolarHBondContact O-CB 3.31Å; E207-R211 PolarHBondContact O-N 3.37Å; E207-R211 IonicContact OE2-CZ 3.55Å; E207-R211 IonicContact OE2-NH2 2.74Å; E207-R211 PolarHBondContact OE2-NH2 2.93Å
208T94.4Very high93.9Very high83 Ų8359.9 Ų59.951%0.50930%0.302SS..Hα-helixtrans-62.1-39.2-179.5-61.80000110.7E204 T205 K212E204-T208 VanDerWaalsContact O-CB 3.28Å; E204-T208 WeakPolarHBondContact O-CB 3.39Å; E204-T208 PolarHBondContact O-N 2.86Å; E204-T208 PolarHBondContact O-OG1 3.32Å; T205-T208 PolarHBondContact O-N 3.29Å; T208-K212 WeakPolarHBondContact O-CB 3.48Å; T208-K212 PolarHBondContact O-N 3.13Å
209Y93.3Very high94Very high7 Ų757.7 Ų57.73%0.02729%0.291CS..Hα-helixtrans-62-53.5172-171.4-101.4000113.1T205 L206 E207 R211 K212 H213 F215 E278 R288 E299 T302 C303 I306T205-Y209 WeakPolarHBondContact O-CB 3.18Å; T205-Y209 PolarHBondContact O-N 3.34Å; L206-Y209 WeakPolarHBondContact O-CB 3.21Å; L206-Y209 PolarHBondContact O-N 3.08Å; E207-Y209 VanDerWaalsContact C-N 3.27Å; E207-Y209 PolarHBondContact O-N 3.46Å; Y209-R211 PolarHBondContact O-N 3.11Å; Y209-K212 PolarHBondContact O-N 3.23Å; Y209-K212 VanDerWaalsContact O-N 3.13Å; Y209-H213 AromaticContact CD2-CD2 3.67Å; Y209-H213 AromaticContact CD2-NE2 3.95Å; Y209-H213 AromaticContact CE1-CD2 3.86Å; Y209-H213 AromaticContact CE2-CD2 3.31Å; Y209-H213 WeakPolarHBondContact CE2-CD2 3.47Å; Y209-H213 AromaticContact CE2-NE2 3.3Å; Y209-H213 VanDerWaalsContact CE2-NE2 3.3Å; Y209-H213 WeakPolarHBondContact CE2-NE2 3.39Å; Y209-H213 AromaticContact CZ-CD2 3.4Å; Y209-H213 VanDerWaalsContact CZ-CD2 3.4Å; Y209-H213 AromaticContact CZ-NE2 3.62Å; Y209-H213 PolarHBondContact O-CD2 3.16Å; Y209-H213 PolarHBondContact O-N 2.95Å; Y209-F215 HydrophobicContact CD1-CE2 4.15Å; Y209-F215 AromaticContact CE1-CE2 3.87Å; Y209-F215 HydrophobicContact CE1-CE2 3.87Å; Y209-F215 HydrophobicContact CE1-CZ 4.11Å; Y209-E278 HydrophobicContact CE2-CG 3.95Å; Y209-E278 PolarHBondContact OH-OE1 3.32Å; Y209-R288 PolarHBondContact OH-NE 2.85Å; Y209-R288 PolarHBondContact OH-NH1 3.44Å; Y209-R288 PolarHBondContact OH-NH2 3.02Å; Y209-E299 WeakPolarHBondContact CE1-OE2 3.21Å; Y209-E299 PolarHBondContact OH-OE2 2.73Å; Y209-T302 HydrophobicContact CE2-CG2 4.28Å; Y209-C303 VanDerWaalsContact CB-SG 3.57Å; Y209-C303 VanDerWaalsContact CD1-SG 3.53Å; Y209-I306 HydrophobicContact CD2-CD1 3.37Å; Y209-I306 HydrophobicContact CE2-CD1 3.59Å; Y209-I306 HydrophobicContact CG-CD1 4.36Å
210L93.5Very high94.1Very high6 Ų660.9 Ų60.93%0.03130%0.304CS..Hα-helixtrans-61-30.8179.4-73.2175000112.6L206 E207 R214 F215 K220 V223 I224L206-L210 HydrophobicContact CG-CD1 4.31Å; L206-L210 WeakPolarHBondContact O-CB 3.32Å; L206-L210 VanDerWaalsContact O-CG 3.25Å; L206-L210 WeakPolarHBondContact O-CG 3.37Å; L206-L210 PolarHBondContact O-N 3.43Å; E207-L210 PolarHBondContact O-N 3.17Å; L210-R214 PolarHBondContact O-N 2.89Å; L210-F215 HydrophobicContact CB-CD2 4.49Å; L210-F215 HydrophobicContact CD2-CB 4.09Å; L210-F215 HydrophobicContact CD2-CD1 4.12Å; L210-F215 HydrophobicContact CD2-CD2 3.46Å; L210-F215 VanDerWaalsContact CD2-CD2 3.46Å; L210-F215 HydrophobicContact CD2-CE1 4.35Å; L210-F215 HydrophobicContact CD2-CE2 3.71Å; L210-F215 HydrophobicContact CD2-CG 3.66Å; L210-F215 HydrophobicContact CD2-CZ 4.14Å; L210-K220 HydrophobicContact CB-CG 4.31Å; L210-K220 HydrophobicContact CD1-CB 4.43Å; L210-K220 HydrophobicContact CD1-CG 4.28Å; L210-K220 HydrophobicContact CD2-CG 4.2Å; L210-K220 WeakPolarHBondContact O-CE 3.33Å; L210-V223 HydrophobicContact CD1-CB 4.24Å; L210-V223 HydrophobicContact CD1-CG1 4.01Å; L210-V223 HydrophobicContact CD2-CB 4.01Å; L210-V223 HydrophobicContact CD2-CG1 3.94Å; L210-V223 HydrophobicContact CD2-CG2 4.13Å; L210-V223 HydrophobicContact CG-CG1 4.27Å; L210-I224 HydrophobicContact CD1-CD1 3.95Å; L210-I224 HydrophobicContact CD1-CG1 4.31Å
211R90.7Very high94.2Very high153 Ų15363.4 Ų63.458%0.57731%0.312SS*.Hα-helixtrans-72.7-45.7174.1-167.6-179-65.1121.82.4111.2E207 Y209E207-R211 WeakPolarHBondContact O-CB 3.31Å; E207-R211 PolarHBondContact O-N 3.37Å; E207-R211 IonicContact OE2-CZ 3.55Å; E207-R211 IonicContact OE2-NH2 2.74Å; E207-R211 PolarHBondContact OE2-NH2 2.93Å; Y209-R211 PolarHBondContact O-N 3.11Å
212K90.3Very high94.3Very high89 Ų8963.8 Ų63.839%0.38731%0.307SS..Hα-helixtrans-59.6-45.9176.7-171.9-175.2-178.2-171.10112.3T208 Y209 E278 E284T208-K212 WeakPolarHBondContact O-CB 3.48Å; T208-K212 PolarHBondContact O-N 3.13Å; Y209-K212 PolarHBondContact O-N 3.23Å; Y209-K212 VanDerWaalsContact O-N 3.13Å; K212-E278 PolarHBondContact NZ-O 3.21Å; K212-E278 IonicContact NZ-OE2 3.69Å; K212-E284 WeakPolarHBondContact CE-OE1 3.49Å; K212-E284 IonicContact NZ-OE1 3.21Å; K212-E284 PolarHBondContact NZ-OE1 3.14Å
213H89.4Confident94.3Very high6 Ų663.7 Ų63.73%0.02831%0.307CS..THydrogen-bonded Turntrans-90.34.9-172.7-74.9-74.6000116.1Y209 F215 E278 R288Y209-H213 AromaticContact CD2-CD2 3.67Å; Y209-H213 AromaticContact CD2-NE2 3.95Å; Y209-H213 AromaticContact CE1-CD2 3.86Å; Y209-H213 AromaticContact CE2-CD2 3.31Å; Y209-H213 WeakPolarHBondContact CE2-CD2 3.47Å; Y209-H213 AromaticContact CE2-NE2 3.3Å; Y209-H213 VanDerWaalsContact CE2-NE2 3.3Å; Y209-H213 WeakPolarHBondContact CE2-NE2 3.39Å; Y209-H213 AromaticContact CZ-CD2 3.4Å; Y209-H213 VanDerWaalsContact CZ-CD2 3.4Å; Y209-H213 AromaticContact CZ-NE2 3.62Å; Y209-H213 PolarHBondContact O-CD2 3.16Å; Y209-H213 PolarHBondContact O-N 2.95Å; H213-F215 VanDerWaalsContact C-N 3.26Å; H213-F215 HydrophobicContact CB-CD2 3.7Å; H213-F215 HydrophobicContact CB-CE2 3.52Å; H213-F215 PolarHBondContact O-N 3.41Å; H213-E278 IonicContact CD2-OE2 3.8Å; H213-E278 IonicContact CE1-OE1 3.07Å; H213-E278 PolarHBondContact CE1-OE1 2.84Å; H213-E278 VanDerWaalsContact CE1-OE1 3.22Å; H213-E278 IonicContact CE1-OE2 2.86Å; H213-E278 PolarHBondContact CE1-OE2 3.28Å; H213-E278 IonicContact NE2-OE1 3.83Å; H213-E278 PolarHBondContact NE2-OE1 3.06Å; H213-E278 VanDerWaalsContact NE2-OE1 3.11Å; H213-E278 IonicContact NE2-OE2 2.99Å; H213-E278 PolarHBondContact NE2-OE2 2.9Å; H213-R288 HydrophobicContact CB-CB 4.31Å; H213-R288 HydrophobicContact CB-CG 4.19Å; H213-R288 PolarHBondContact ND1-NE 2.85Å
214R89.3Confident94.4Very high200 Ų20063.7 Ų63.776%0.75531%0.307SS*.THydrogen-bonded Turntrans57.231.1172.5-52.6-179177.8-167.5-3.7115L210 C216L210-R214 PolarHBondContact O-N 2.89Å; R214-C216 PolarHBondContact O-N 3.11Å
215F91.9Very high94.3Very high2 Ų262 Ų621%0.00929%0.294CS..  trans-53.2135.9175.6-73.5-101.7000111.3Y209 L210 H213 C219 K220 R288 A290 E299Y209-F215 HydrophobicContact CD1-CE2 4.15Å; Y209-F215 AromaticContact CE1-CE2 3.87Å; Y209-F215 HydrophobicContact CE1-CE2 3.87Å; Y209-F215 HydrophobicContact CE1-CZ 4.11Å; L210-F215 HydrophobicContact CB-CD2 4.49Å; L210-F215 HydrophobicContact CD2-CB 4.09Å; L210-F215 HydrophobicContact CD2-CD1 4.12Å; L210-F215 HydrophobicContact CD2-CD2 3.46Å; L210-F215 VanDerWaalsContact CD2-CD2 3.46Å; L210-F215 HydrophobicContact CD2-CE1 4.35Å; L210-F215 HydrophobicContact CD2-CE2 3.71Å; L210-F215 HydrophobicContact CD2-CG 3.66Å; L210-F215 HydrophobicContact CD2-CZ 4.14Å; H213-F215 VanDerWaalsContact C-N 3.26Å; H213-F215 HydrophobicContact CB-CD2 3.7Å; H213-F215 HydrophobicContact CB-CE2 3.52Å; H213-F215 PolarHBondContact O-N 3.41Å; F215-C219 HydrophobicContact CB-CB 4.41Å; F215-C219 HydrophobicContact CD1-CB 3.89Å; F215-K220 HydrophobicContact CB-CG 3.7Å; F215-K220 WeakPolarHBondContact O-CE 3.39Å; F215-K220 PolarHBondContact O-NZ 3.2Å; F215-R288 HydrophobicContact CD1-CB 4.05Å; F215-R288 VanDerWaalsContact CD1-O 3.24Å; F215-R288 WeakPolarHBondContact CD1-O 3.27Å; F215-R288 HydrophobicContact CD2-CB 4.13Å; F215-R288 HydrophobicContact CE1-CB 3.54Å; F215-R288 HydrophobicContact CE2-CB 3.64Å; F215-R288 HydrophobicContact CE2-CG 4.38Å; F215-R288 HydrophobicContact CG-CB 4.35Å; F215-R288 HydrophobicContact CZ-CB 3.32Å; F215-R288 HydrophobicContact CZ-CG 4.18Å; F215-A290 HydrophobicContact CE1-CB 4.41Å; F215-E299 HydrophobicContact CE1-CG 4.15Å; F215-E299 HydrophobicContact CZ-CB 4.48Å; F215-E299 HydrophobicContact CZ-CG 3.92Å; F215-E299 WeakPolarHBondContact CZ-OE1 3.4Å
216C93.8Very high94.4Very high49 Ų4960.8 Ų60.833%0.33129%0.287SS..  trans-67.9158.4170.567.60000111.4R214 D218 C219 K220R214-C216 PolarHBondContact O-N 3.11Å; C216-D218 VanDerWaalsContact C-N 3.34Å; C216-D218 PolarHBondContact O-N 2.95Å; C216-C219 PolarHBondContact O-N 2.94Å; C216-C219 PolarHBondContact SG-SG 3.22Å; C216-K220 PolarHBondContact O-N 2.91Å
217T94.4Very high94.4Very high94 Ų9461.1 Ų61.158%0.57729%0.289SS*.Hα-helixtrans-52.7-47.1-173-450000112.7C219 K220 N221T217-C219 PolarHBondContact O-N 3.14Å; T217-K220 PolarHBondContact O-N 3.12Å; T217-K220 VanDerWaalsContact O-N 3.17Å; T217-N221 VanDerWaalsContact O-CG 3.24Å; T217-N221 PolarHBondContact O-N 3.17Å; T217-N221 PolarHBondContact O-OD1 2.79Å
218D95.4Very high94.4Very high112 Ų11258.5 Ų58.560%0.59928%0.277SS*.Hα-helixtrans-63-26.2-179.8-53.4-29.5000113.6C216 K222C216-D218 VanDerWaalsContact C-N 3.34Å; C216-D218 PolarHBondContact O-N 2.95Å; D218-K222 WeakPolarHBondContact O-CG 3.43Å; D218-K222 PolarHBondContact O-NZ 3.42Å
219C96.2Very high94.4Very high7 Ų755.2 Ų55.25%0.04726%0.256CS..Hα-helixtrans-84.6-40.8175.8-63.90000111F215 C216 T217 N221 K222 V223 A290F215-C219 HydrophobicContact CB-CB 4.41Å; F215-C219 HydrophobicContact CD1-CB 3.89Å; C216-C219 PolarHBondContact O-N 2.94Å; C216-C219 PolarHBondContact SG-SG 3.22Å; T217-C219 PolarHBondContact O-N 3.14Å; C219-N221 VanDerWaalsContact C-N 3.32Å; C219-N221 PolarHBondContact O-N 2.6Å; C219-K222 PolarHBondContact O-N 2.99Å; C219-V223 WeakPolarHBondContact O-CG2 3.38Å; C219-V223 PolarHBondContact O-N 3.44Å; C219-A290 HydrophobicContact CB-CB 4.31Å; C219-A290 PolarHBondContact SG-O 3.36Å; C219-A290 VanDerWaalsContact SG-O 3.34Å
220K95.8Very high94.5Very high70 Ų7055.4 Ų55.430%0.30426%0.258SS..Hα-helixtrans-55-48.8172-73.5177.7166.3135.50111L210 F215 C216 T217 K222 V223 I224L210-K220 HydrophobicContact CB-CG 4.31Å; L210-K220 HydrophobicContact CD1-CB 4.43Å; L210-K220 HydrophobicContact CD1-CG 4.28Å; L210-K220 HydrophobicContact CD2-CG 4.2Å; L210-K220 WeakPolarHBondContact O-CE 3.33Å; F215-K220 HydrophobicContact CB-CG 3.7Å; F215-K220 WeakPolarHBondContact O-CE 3.39Å; F215-K220 PolarHBondContact O-NZ 3.2Å; C216-K220 PolarHBondContact O-N 2.91Å; T217-K220 PolarHBondContact O-N 3.12Å; T217-K220 VanDerWaalsContact O-N 3.17Å; K220-K222 VanDerWaalsContact C-N 3.26Å; K220-K222 PolarHBondContact O-N 3.22Å; K220-V223 PolarHBondContact O-N 3.31Å; K220-I224 WeakPolarHBondContact O-CG1 3.49Å; K220-I224 PolarHBondContact O-N 2.78Å
221N96.3Very high94.6Very high99 Ų9955.7 Ų55.753%0.52926%0.26SS..Hα-helixtrans-59.8-34.9-179.5-66.64.2000112.2T217 C219 R225T217-N221 VanDerWaalsContact O-CG 3.24Å; T217-N221 PolarHBondContact O-N 3.17Å; T217-N221 PolarHBondContact O-OD1 2.79Å; C219-N221 VanDerWaalsContact C-N 3.32Å; C219-N221 PolarHBondContact O-N 2.6Å; N221-R225 WeakPolarHBondContact O-CB 3.26Å; N221-R225 PolarHBondContact O-N 2.93Å
222K96.6Very high94.5Very high60 Ų6050.6 Ų50.626%0.26126%0.255SS..Hα-helixtrans-71.6-37.2173.7-69.8-174-154.171.40113.1D218 C219 K220 R225 A226 K291 I293 A296D218-K222 WeakPolarHBondContact O-CG 3.43Å; D218-K222 PolarHBondContact O-NZ 3.42Å; C219-K222 PolarHBondContact O-N 2.99Å; K220-K222 VanDerWaalsContact C-N 3.26Å; K220-K222 PolarHBondContact O-N 3.22Å; K222-R225 PolarHBondContact O-N 2.85Å; K222-A226 WeakPolarHBondContact O-CB 3.41Å; K222-A226 PolarHBondContact O-N 3.33Å; K222-K291 WeakPolarHBondContact CE-O 3.44Å; K222-I293 HydrophobicContact CB-CD1 3.99Å; K222-I293 HydrophobicContact CG-CD1 4.18Å; K222-A296 HydrophobicContact CB-CB 3.94Å; K222-A296 WeakPolarHBondContact O-CB 3.45Å
223V97.4Very high94.5Very high0 Ų051.3 Ų51.30%026%0.26CS..Hα-helixtrans-69-43.1177.4174.80000111.1L206 L210 C219 K220 A226 Y227 A290 A296 E299 V300L206-V223 HydrophobicContact CD1-CG1 3.52Å; L206-V223 HydrophobicContact CD2-CG1 4.26Å; L206-V223 HydrophobicContact CG-CG1 4.1Å; L210-V223 HydrophobicContact CD1-CB 4.24Å; L210-V223 HydrophobicContact CD1-CG1 4.01Å; L210-V223 HydrophobicContact CD2-CB 4.01Å; L210-V223 HydrophobicContact CD2-CG1 3.94Å; L210-V223 HydrophobicContact CD2-CG2 4.13Å; L210-V223 HydrophobicContact CG-CG1 4.27Å; C219-V223 WeakPolarHBondContact O-CG2 3.38Å; C219-V223 PolarHBondContact O-N 3.44Å; K220-V223 PolarHBondContact O-N 3.31Å; V223-A226 PolarHBondContact O-N 2.86Å; V223-Y227 PolarHBondContact O-N 3.21Å; V223-A290 HydrophobicContact CG2-CB 3.65Å; V223-A296 HydrophobicContact CG2-CB 4.03Å; V223-E299 HydrophobicContact CG2-CB 4.15Å; V223-V300 HydrophobicContact CG1-CG2 4.03Å
224I97.2Very high94.6Very high53 Ų5352.3 Ų52.327%0.27227%0.266SS..Hα-helixtrans-61.2-48.3171-60.3-56.5000110.2L203 L206 L210 K220 A226 Y227 N228L203-I224 HydrophobicContact CD1-CD1 4.02Å; L206-I224 HydrophobicContact CD2-CD1 3.93Å; L206-I224 HydrophobicContact CG-CD1 4.41Å; L210-I224 HydrophobicContact CD1-CD1 3.95Å; L210-I224 HydrophobicContact CD1-CG1 4.31Å; K220-I224 WeakPolarHBondContact O-CG1 3.49Å; K220-I224 PolarHBondContact O-N 2.78Å; I224-A226 VanDerWaalsContact C-N 3.3Å; I224-A226 PolarHBondContact O-N 3.37Å; I224-Y227 CarbonylContact O-C 3.5Å; I224-Y227 WeakPolarHBondContact O-CA 3.39Å; I224-Y227 WeakPolarHBondContact O-CB 3.48Å; I224-Y227 PolarHBondContact O-N 3.27Å; I224-N228 WeakPolarHBondContact CG2-OD1 3.49Å; I224-N228 PolarHBondContact O-N 2.86Å; I224-N228 PolarHBondContact O-OD1 3.4Å
225R96.4Very high94.5Very high95 Ų9548.2 Ų48.236%0.35826%0.259SS..Hα-helixtrans-54.7-42.3175.2-175.869.5165.9-179.83.6113N221 K222 Y227 N228 I229 V234 E239 I293N221-R225 WeakPolarHBondContact O-CB 3.26Å; N221-R225 PolarHBondContact O-N 2.93Å; K222-R225 PolarHBondContact O-N 2.85Å; R225-Y227 VanDerWaalsContact C-N 3.33Å; R225-N228 PolarHBondContact O-N 2.93Å; R225-I229 HydrophobicContact CG-CD1 4.5Å; R225-I229 WeakPolarHBondContact O-CG1 3.37Å; R225-I229 PolarHBondContact O-N 2.83Å; R225-I229 VanDerWaalsContact O-N 3.08Å; R225-V234 VanDerWaalsContact CZ-CG1 3.41Å; R225-E239 IonicContact CZ-OE2 3.72Å; R225-E239 IonicContact NE-OE2 3.11Å; R225-E239 PolarHBondContact NE-OE2 2.82Å; R225-E239 IonicContact NH2-OE2 3.77Å; R225-E239 PolarHBondContact NH2-OE2 2.84Å; R225-I293 HydrophobicContact CB-CD1 4.39Å; R225-I293 HydrophobicContact CG-CD1 4.21Å
226A97.5Very high94.4Very high0 Ų050.6 Ų50.60%028%0.276CS..Hα-helixtrans-67.3-31.6176.100000112.9K222 V223 I224 L230 Y247 A296 Q297 V300K222-A226 WeakPolarHBondContact O-CB 3.41Å; K222-A226 PolarHBondContact O-N 3.33Å; V223-A226 PolarHBondContact O-N 2.86Å; I224-A226 VanDerWaalsContact C-N 3.3Å; I224-A226 PolarHBondContact O-N 3.37Å; A226-L230 PolarHBondContact O-N 2.82Å; A226-Y247 WeakPolarHBondContact O-CE2 3.48Å; A226-Y247 PolarHBondContact O-OH 3.09Å; A226-A296 HydrophobicContact CB-CB 3.93Å; A226-Q297 HydrophobicContact CB-CG 4.08Å; A226-V300 HydrophobicContact CB-CG2 4.14Å
227Y97.1Very high94Very high8 Ų853.4 Ų53.43%0.03130%0.296CS..Hα-helixtrans-70.7-44.4170.4158.8-87.1000111.9S199 L202 L203 L206 V223 I224 R225 I229 L230 V231S199-Y227 WeakPolarHBondContact CB-OH 3.43Å; S199-Y227 PolarHBondContact O-OH 2.86Å; L202-Y227 HydrophobicContact CB-CE2 4.44Å; L202-Y227 HydrophobicContact CD2-CD2 4.12Å; L202-Y227 HydrophobicContact CD2-CE2 4.19Å; L202-Y227 HydrophobicContact CG-CD2 4.44Å; L202-Y227 HydrophobicContact CG-CE2 4.37Å; L203-Y227 HydrophobicContact CB-CE1 4.4Å; L203-Y227 HydrophobicContact CB-CE2 4.26Å; L203-Y227 HydrophobicContact CD1-CD1 4.15Å; L203-Y227 HydrophobicContact CD1-CE1 3.95Å; L203-Y227 HydrophobicContact CD2-CE1 4.33Å; L203-Y227 HydrophobicContact CG-CE1 4.46Å; L206-Y227 HydrophobicContact CD2-CD2 4.08Å; L206-Y227 HydrophobicContact CD2-CG 3.77Å; V223-Y227 PolarHBondContact O-N 3.21Å; I224-Y227 CarbonylContact O-C 3.5Å; I224-Y227 WeakPolarHBondContact O-CA 3.39Å; I224-Y227 WeakPolarHBondContact O-CB 3.48Å; I224-Y227 PolarHBondContact O-N 3.27Å; R225-Y227 VanDerWaalsContact C-N 3.33Å; Y227-I229 PolarHBondContact O-N 2.75Å; Y227-L230 WeakPolarHBondContact O-CA 3.43Å; Y227-L230 WeakPolarHBondContact O-CB 3.48Å; Y227-L230 PolarHBondContact O-N 3.42Å; Y227-V231 HydrophobicContact CD2-CG1 4.43Å; Y227-V231 HydrophobicContact CE1-CG1 4.48Å; Y227-V231 HydrophobicContact CE1-CG2 4.2Å; Y227-V231 HydrophobicContact CE2-CG1 3.8Å; Y227-V231 PolarHBondContact O-N 3.46Å
228N95.6Very high93.5Very high36 Ų3656.4 Ų56.419%0.19330%0.304CS..Hα-helixtrans-60.5-31.7175.9-70.368.2000112.1I224 R225 G232 E233 V234I224-N228 WeakPolarHBondContact CG2-OD1 3.49Å; I224-N228 PolarHBondContact O-N 2.86Å; I224-N228 PolarHBondContact O-OD1 3.4Å; R225-N228 PolarHBondContact O-N 2.93Å; N228-G232 PolarHBondContact O-N 2.96Å; N228-E233 HydrophobicContact CB-CB 4.22Å; N228-E233 PolarHBondContact ND2-OE2 2.92Å; N228-E233 PolarHBondContact O-N 3.19Å; N228-V234 HydrophobicContact CB-CB 4.42Å; N228-V234 HydrophobicContact CB-CG2 3.83Å; N228-V234 PolarHBondContact O-N 3.01Å
229I94.9Very high93.3Very high13 Ų1353 Ų537%0.06728%0.284CS..Hα-helixtrans-67.7-40.1170.7-67.3165.2000111.6R225 Y227 G232 V234 E239 Y242R225-I229 HydrophobicContact CG-CD1 4.5Å; R225-I229 WeakPolarHBondContact O-CG1 3.37Å; R225-I229 PolarHBondContact O-N 2.83Å; R225-I229 VanDerWaalsContact O-N 3.08Å; Y227-I229 PolarHBondContact O-N 2.75Å; I229-G232 PolarHBondContact O-N 3.2Å; I229-V234 HydrophobicContact CD1-CG1 4.25Å; I229-V234 HydrophobicContact CG1-CB 3.77Å; I229-V234 HydrophobicContact CG1-CG1 3.61Å; I229-E239 HydrophobicContact CD1-CB 3.7Å; I229-E239 HydrophobicContact CD1-CG 3.68Å; I229-Y242 HydrophobicContact CG2-CD2 4.07Å; I229-Y242 HydrophobicContact CG2-CE2 3.64Å
230L95.3Very high93Very high11 Ų1162 Ų626%0.05832%0.322CS..Hα-helixtrans-63.1-41.9177.3177.462.5000112.3L202 A226 Y227 G232 Y247 L250 C252 I259 V300 L304L202-L230 HydrophobicContact CD2-CD2 4.19Å; A226-L230 PolarHBondContact O-N 2.82Å; Y227-L230 WeakPolarHBondContact O-CA 3.43Å; Y227-L230 WeakPolarHBondContact O-CB 3.48Å; Y227-L230 PolarHBondContact O-N 3.42Å; L230-G232 VanDerWaalsContact C-N 3.28Å; L230-G232 PolarHBondContact O-N 3.06Å; L230-Y247 HydrophobicContact CB-CD2 4.32Å; L230-Y247 HydrophobicContact CB-CE2 3.72Å; L230-Y247 HydrophobicContact CD1-CD2 4.13Å; L230-Y247 HydrophobicContact CD1-CE2 4.29Å; L230-Y247 HydrophobicContact CD1-CG 4.33Å; L230-L250 HydrophobicContact CD1-CB 3.86Å; L230-L250 HydrophobicContact CD1-CD1 3.7Å; L230-L250 HydrophobicContact CD1-CG 4.44Å; L230-L250 HydrophobicContact CD2-CD1 4.42Å; L230-C252 WeakPolarHBondContact O-CB 3.39Å; L230-C252 PolarHBondContact O-SG 3.26Å; L230-I259 HydrophobicContact CD2-CD1 4.24Å; L230-I259 HydrophobicContact CD2-CG2 4.48Å; L230-V300 HydrophobicContact CD2-CG1 3.87Å; L230-L304 HydrophobicContact CD2-CD1 4Å
231V94.3Very high92.7Very high12 Ų1260.7 Ų60.77%0.07333%0.329CS..THydrogen-bonded Turntrans-82-1178.9-62.40000114.2Y227 E233 I259Y227-V231 HydrophobicContact CD2-CG1 4.43Å; Y227-V231 HydrophobicContact CE1-CG1 4.48Å; Y227-V231 HydrophobicContact CE1-CG2 4.2Å; Y227-V231 HydrophobicContact CE2-CG1 3.8Å; Y227-V231 PolarHBondContact O-N 3.46Å; V231-E233 HydrophobicContact CG2-CB 4.24Å; V231-E233 HydrophobicContact CG2-CG 3.87Å; V231-I259 HydrophobicContact CG1-CD1 3.8Å; V231-I259 HydrophobicContact CG1-CG1 4.1Å
232G90.2Very high92.6Very high46 Ų4658.9 Ų58.947%0.47432%0.315SS..THydrogen-bonded Turntrans7817.8178.400000115.1N228 I229 L230 V234N228-G232 PolarHBondContact O-N 2.96Å; I229-G232 PolarHBondContact O-N 3.2Å; L230-G232 VanDerWaalsContact C-N 3.28Å; L230-G232 PolarHBondContact O-N 3.06Å; G232-V234 VanDerWaalsContact C-N 3.34Å
233E90.1Very high92.6Very high104 Ų10458.4 Ų58.449%0.48632%0.319SS..SBendtrans-82.3-11.7173.1-71.3-178.5179.500112.8N228 V231 R257N228-E233 HydrophobicContact CB-CB 4.22Å; N228-E233 PolarHBondContact ND2-OE2 2.92Å; N228-E233 PolarHBondContact O-N 3.19Å; V231-E233 HydrophobicContact CG2-CB 4.24Å; V231-E233 HydrophobicContact CG2-CG 3.87Å; E233-R257 IonicContact OE1-NH2 3.91Å; E233-R257 PolarHBondContact OE1-NH2 3.16Å
234V91.1Very high92.4Very high27 Ų2761.4 Ų61.416%0.16434%0.344CS..SBendtrans-140.2131.9179.9171.70000110.5R225 N228 I229 G232 S236R225-V234 VanDerWaalsContact CZ-CG1 3.41Å; N228-V234 HydrophobicContact CB-CB 4.42Å; N228-V234 HydrophobicContact CB-CG2 3.83Å; N228-V234 PolarHBondContact O-N 3.01Å; I229-V234 HydrophobicContact CD1-CG1 4.25Å; I229-V234 HydrophobicContact CG1-CB 3.77Å; I229-V234 HydrophobicContact CG1-CG1 3.61Å; G232-V234 VanDerWaalsContact C-N 3.34Å; V234-S236 PolarHBondContact O-N 3.02Å
235D88Confident92.3Very high115 Ų11562.1 Ų62.162%0.61536%0.357SS*.  trans-65.6121.1177.3-77.2-59.1000112.9S237 E238D235-S237 PolarHBondContact O-N 3.42Å; D235-E238 HydrophobicContact CB-CG 4.47Å; D235-E238 PolarHBondContact O-N 3.3Å
236S88.8Confident92.2Very high52 Ų5259.1 Ų59.136%0.36435%0.348SS..THydrogen-bonded Turntrans-67.9-19.8-179.160.90000114.5V234V234-S236 PolarHBondContact O-N 3.02Å
237S86.4Confident92.2Very high107 Ų10759.8 Ų59.875%0.74835%0.351SS*.THydrogen-bonded Turntrans-73.8-23.1-178.851.90000113.7D235D235-S237 PolarHBondContact O-N 3.42Å
238E83.1Confident92.1Very high157 Ų15766.1 Ų66.173%0.73438%0.381SS*.THydrogen-bonded Turntrans-89.6-20.2179.3-56.5-158.9143.900113D235 K240D235-E238 HydrophobicContact CB-CG 4.47Å; D235-E238 PolarHBondContact O-N 3.3Å; E238-K240 PolarHBondContact O-N 2.9Å
239E90.4Very high91.9Very high41 Ų4166.1 Ų66.119%0.19239%0.389CS..SBendtrans-83.7109.1-168.9-166.762.7-130.200113R225 I229 G241 Y242 I293R225-E239 IonicContact CZ-OE2 3.72Å; R225-E239 IonicContact NE-OE2 3.11Å; R225-E239 PolarHBondContact NE-OE2 2.82Å; R225-E239 IonicContact NH2-OE2 3.77Å; R225-E239 PolarHBondContact NH2-OE2 2.84Å; I229-E239 HydrophobicContact CD1-CB 3.7Å; I229-E239 HydrophobicContact CD1-CG 3.68Å; E239-G241 PolarHBondContact O-N 3.38Å; E239-G241 VanDerWaalsContact O-N 3.08Å; E239-Y242 WeakPolarHBondContact O-CB 3.22Å; E239-Y242 PolarHBondContact O-N 2.99Å; E239-Y242 VanDerWaalsContact O-N 3.1Å; E239-I293 HydrophobicContact CG-CB 4.4Å; E239-I293 HydrophobicContact CG-CD1 4.1Å; E239-I293 HydrophobicContact CG-CG1 3.84Å; E239-I293 HydrophobicContact CG-CG2 4Å
240K89.9Confident91.9Very high195 Ų19566.3 Ų66.385%0.84839%0.39SS*.THydrogen-bonded Turntrans-69.8109.1-174.2-175.1179.6179.1177.50112.4E238E238-K240 PolarHBondContact O-N 2.9Å
241G89.8Confident91.7Very high43 Ų4369.8 Ų69.844%0.44341%0.414SS..THydrogen-bonded Turntrans99.412-178.800000113.5E239 D294E239-G241 PolarHBondContact O-N 3.38Å; E239-G241 VanDerWaalsContact O-N 3.08Å; G241-D294 PolarHBondContact O-N 3.37Å; G241-D294 VanDerWaalsContact O-N 3.16Å
242Y95.4Very high91.5Very high61 Ų6171 Ų7124%0.23942%0.424CS..  trans-61.1139.5161178.2-104.5000111.5I229 E239 A244 Y247I229-Y242 HydrophobicContact CG2-CD2 4.07Å; I229-Y242 HydrophobicContact CG2-CE2 3.64Å; E239-Y242 WeakPolarHBondContact O-CB 3.22Å; E239-Y242 PolarHBondContact O-N 2.99Å; E239-Y242 VanDerWaalsContact O-N 3.1Å; Y242-A244 HydrophobicContact CE1-CB 3.89Å; Y242-Y247 AromaticContact CE2-CD2 3.84Å; Y242-Y247 HydrophobicContact CE2-CD2 3.84Å; Y242-Y247 HydrophobicContact CE2-CE2 4.13Å
243C95.6Very high91.5Very high50 Ų5071.1 Ų71.134%0.33842%0.416SS..  trans-121.3108.2175-174.60000109.5A245 L246 D294 Q297C243-A245 VanDerWaalsContact C-N 3.29Å; C243-A245 PolarHBondContact O-N 2.99Å; C243-L246 HydrophobicContact CB-CD1 3.95Å; C243-L246 HydrophobicContact CB-CG 4.03Å; C243-L246 PolarHBondContact O-N 3.34Å; C243-D294 HydrophobicContact CB-CB 4.49Å; C243-Q297 PolarHBondContact O-NE2 2.82Å
244A93.9Very high91Very high63 Ų6370 Ų7052%0.52142%0.418SS..G310 helixtrans-60.5-37.5-179.200000112.7Y242 L246 Y247 E248Y242-A244 HydrophobicContact CE1-CB 3.89Å; A244-L246 PolarHBondContact O-N 2.85Å; A244-L246 VanDerWaalsContact O-N 3.13Å; A244-Y247 CarbonylContact O-C 3.55Å; A244-Y247 PolarHBondContact O-N 3.14Å; A244-E248 PolarHBondContact O-N 3.37Å; A244-E248 VanDerWaalsContact O-N 3.12Å
245A94.9Very high90.5Very high68 Ų6877.8 Ų77.856%0.56245%0.452SS*.G310 helixtrans-66.4-11.2179.800000114.5C243C243-A245 VanDerWaalsContact C-N 3.29Å; C243-A245 PolarHBondContact O-N 2.99Å
246L94.6Very high90.2Very high32 Ų3278.1 Ų78.117%0.16845%0.45CS..G310 helixtrans-79.8-26.5169.9-71.4178.2000112.4C243 A244 D294 Q297 E298 L301C243-L246 HydrophobicContact CB-CD1 3.95Å; C243-L246 HydrophobicContact CB-CG 4.03Å; C243-L246 PolarHBondContact O-N 3.34Å; A244-L246 PolarHBondContact O-N 2.85Å; A244-L246 VanDerWaalsContact O-N 3.13Å; L246-D294 HydrophobicContact CD1-CB 4.23Å; L246-D294 WeakPolarHBondContact CD1-O 3.14Å; L246-Q297 HydrophobicContact CB-CB 4.29Å; L246-Q297 HydrophobicContact CD1-CB 3.82Å; L246-E298 HydrophobicContact CD1-CG 4.15Å; L246-E298 HydrophobicContact CD2-CG 4.24Å; L246-L301 HydrophobicContact CB-CD1 4.3Å; L246-L301 HydrophobicContact CD2-CD1 4.33Å; L246-L301 WeakPolarHBondContact O-CD1 3.48Å; L246-L301 WeakPolarHBondContact O-CD2 3.48Å
247Y96.3Very high90.2Very high14 Ų1482 Ų826%0.05546%0.456CS..SBendtrans-107.510.8178.1-68.8-9.3000112.4A226 L230 Y242 A244 G249 L250 Q297 L301A226-Y247 WeakPolarHBondContact O-CE2 3.48Å; A226-Y247 PolarHBondContact O-OH 3.09Å; L230-Y247 HydrophobicContact CB-CD2 4.32Å; L230-Y247 HydrophobicContact CB-CE2 3.72Å; L230-Y247 HydrophobicContact CD1-CD2 4.13Å; L230-Y247 HydrophobicContact CD1-CE2 4.29Å; L230-Y247 HydrophobicContact CD1-CG 4.33Å; Y242-Y247 AromaticContact CE2-CD2 3.84Å; Y242-Y247 HydrophobicContact CE2-CD2 3.84Å; Y242-Y247 HydrophobicContact CE2-CE2 4.13Å; A244-Y247 CarbonylContact O-C 3.55Å; A244-Y247 PolarHBondContact O-N 3.14Å; Y247-G249 PolarHBondContact O-N 3.21Å; Y247-L250 HydrophobicContact CD1-CD1 3.93Å; Y247-L250 HydrophobicContact CG-CD1 4.3Å; Y247-L250 WeakPolarHBondContact O-CB 3.35Å; Y247-L250 PolarHBondContact O-N 3.41Å; Y247-Q297 HydrophobicContact CD1-CB 4.41Å; Y247-Q297 HydrophobicContact CE1-CB 3.67Å; Y247-Q297 HydrophobicContact CE1-CG 3.86Å; Y247-Q297 HydrophobicContact CE2-CG 4.09Å; Y247-L301 HydrophobicContact CD1-CD2 4.16Å; Y247-L301 HydrophobicContact CE1-CD2 4.34Å; Y247-L301 HydrophobicContact CE1-CG 4.39Å
248E94.8Very high90.5Very high142 Ų14279.4 Ų79.466%0.66443%0.433SS*.THydrogen-bonded Turntrans-61.2133.8167.8-174166.2-16200109.5A244 L250 F267A244-E248 PolarHBondContact O-N 3.37Å; A244-E248 VanDerWaalsContact O-N 3.12Å; E248-L250 VanDerWaalsContact C-N 3.34Å; E248-F267 VanDerWaalsContact O-CE2 3.22Å; E248-F267 WeakPolarHBondContact O-CE2 2.91Å; E248-F267 WeakPolarHBondContact O-CZ 3.32Å
249G91.9Very high91.1Very high35 Ų3571.9 Ų71.936%0.36140%0.398SS..THydrogen-bonded Turntrans807.6-169.500000115.1Y247 C262Y247-G249 PolarHBondContact O-N 3.21Å; G249-C262 WeakPolarHBondContact O-CB 3.29Å; G249-C262 PolarHBondContact O-N 3.27Å
250L95.9Very high91.4Very high17 Ų1773.2 Ų73.29%0.08940%0.403CS..EExtended strand (participates in β ladder)trans-115.5142.1168.2-55179.1000110.6L230 Y247 E248 V261 F267 L301 L304L230-L250 HydrophobicContact CD1-CB 3.86Å; L230-L250 HydrophobicContact CD1-CD1 3.7Å; L230-L250 HydrophobicContact CD1-CG 4.44Å; L230-L250 HydrophobicContact CD2-CD1 4.42Å; Y247-L250 HydrophobicContact CD1-CD1 3.93Å; Y247-L250 HydrophobicContact CG-CD1 4.3Å; Y247-L250 WeakPolarHBondContact O-CB 3.35Å; Y247-L250 PolarHBondContact O-N 3.41Å; E248-L250 VanDerWaalsContact C-N 3.34Å; L250-V261 HydrophobicContact CD2-CB 4.19Å; L250-V261 HydrophobicContact CD2-CG1 3.9Å; L250-V261 HydrophobicContact CD2-CG2 4.01Å; L250-F267 HydrophobicContact CD2-CE1 3.98Å; L250-F267 HydrophobicContact CD2-CZ 4.11Å; L250-F267 HydrophobicContact CG-CZ 4.39Å; L250-L301 HydrophobicContact CD1-CD2 3.79Å; L250-L304 HydrophobicContact CD1-CD1 3.65Å; L250-L304 HydrophobicContact CD2-CD1 4.19Å
251C91.1Very high91.7Very high84 Ų8464.1 Ų64.157%0.56837%0.365SS*.EExtended strand (participates in β ladder)trans-136.7159.4172-73.30000109.9I259 H260C251-I259 CarbonylContact O-C 3.49Å; C251-I259 WeakPolarHBondContact O-CA 3.5Å; C251-H260 HydrophobicContact CB-CB 4.32Å; C251-H260 PolarHBondContact N-O 3.16Å; C251-H260 PolarHBondContact O-N 2.85Å
252C90.4Very high92Very high39 Ų3963.9 Ų63.926%0.26436%0.355SS..EExtended strand (participates in β ladder)trans-128.2154.4172.761.60000110.9L230 P254 H258L230-C252 WeakPolarHBondContact O-CB 3.39Å; L230-C252 PolarHBondContact O-SG 3.26Å; C252-P254 WeakPolarHBondContact O-CD 3.34Å; C252-H258 WeakPolarHBondContact CA-O 3.39Å
253C89.5Confident92Very high48 Ų4862.3 Ų62.332%0.32435%0.353SS..EExtended strand (participates in β ladder)trans-117.986.3173.1-82.80000108.5H255 E256 R257 H258 H260C253-H255 PolarHBondContact O-N 3.49Å; C253-E256 HydrophobicContact CB-CB 4.44Å; C253-E256 PolarHBondContact O-N 3.49Å; C253-R257 PolarHBondContact O-N 2.69Å; C253-H258 HydrophobicContact CB-CB 4.47Å; C253-H258 PolarHBondContact N-O 2.94Å; C253-H260 PolarHBondContact SG-NE2 3.07Å
254P79.2Confident91.9Very high79 Ų7966.2 Ų66.251%0.51337%0.366SS..THydrogen-bonded Turntrans-58.7-24.9-168.5-28.336.4000115.3C252C252-P254 WeakPolarHBondContact O-CD 3.34Å
255H80.3Confident91.9Very high191 Ų19166.1 Ų66.188%0.88436%0.36SS*.THydrogen-bonded Turntrans-75.4-35177.3-61-49.2000113.6C253C253-H255 PolarHBondContact O-N 3.49Å
256E82Confident91.9Very high123 Ų12369.5 Ų69.558%0.57537%0.368SS*.THydrogen-bonded Turntrans-94.7-12.3177.4-58.6-179.3-179.900112C253 H258C253-E256 HydrophobicContact CB-CB 4.44Å; C253-E256 PolarHBondContact O-N 3.49Å; E256-H258 WeakPolarHBondContact CB-ND1 3.34Å; E256-H258 PolarHBondContact O-N 2.95Å; E256-H258 IonicContact OE2-CE1 3.73Å; E256-H258 IonicContact OE2-ND1 2.72Å; E256-H258 PolarHBondContact OE2-ND1 3.18Å
257R89.5Confident91.9Very high132 Ų13270 Ų7050%0.49837%0.369SS..THydrogen-bonded Turntrans62.823.8-176.2-41.3-167.378.6-163.13.7113.9S199 E233 C253S199-R257 WeakPolarHBondContact CB-O 3.49Å; S199-R257 PolarHBondContact N-O 3.42Å; S199-R257 WeakPolarHBondContact OG-CB 3.16Å; S199-R257 PolarHBondContact OG-O 3.15Å; E233-R257 IonicContact OE1-NH2 3.91Å; E233-R257 PolarHBondContact OE1-NH2 3.16Å; C253-R257 PolarHBondContact O-N 2.69Å
258H93Very high91.9Very high53 Ų5369.3 Ų69.325%0.24537%0.366CS..EExtended strand (participates in β ladder)trans-87.2151.3174.1-63.1141.6000113.1L196 C252 C253 E256L196-H258 HydrophobicContact CD1-CB 3.74Å; L196-H258 HydrophobicContact CG-CB 4.5Å; C252-H258 WeakPolarHBondContact CA-O 3.39Å; C253-H258 HydrophobicContact CB-CB 4.47Å; C253-H258 PolarHBondContact N-O 2.94Å; E256-H258 WeakPolarHBondContact CB-ND1 3.34Å; E256-H258 PolarHBondContact O-N 2.95Å; E256-H258 IonicContact OE2-CE1 3.73Å; E256-H258 IonicContact OE2-ND1 2.72Å; E256-H258 PolarHBondContact OE2-ND1 3.18Å
259I95.6Very high91.8Very high0 Ų064.3 Ų64.30%035%0.349CS..EExtended strand (participates in β ladder)trans-116.7124.6170.1-57.7169.8000107.4I197 L202 L230 V231 C251I197-I259 HydrophobicContact CB-CB 4.48Å; I197-I259 PolarHBondContact N-O 3.4Å; I197-I259 PolarHBondContact O-N 3.4Å; L202-I259 HydrophobicContact CB-CD1 4.34Å; L202-I259 HydrophobicContact CD2-CD1 3.39Å; L202-I259 HydrophobicContact CG-CD1 4.49Å; L230-I259 HydrophobicContact CD2-CD1 4.24Å; L230-I259 HydrophobicContact CD2-CG2 4.48Å; V231-I259 HydrophobicContact CG1-CD1 3.8Å; V231-I259 HydrophobicContact CG1-CG1 4.1Å; C251-I259 CarbonylContact O-C 3.49Å; C251-I259 WeakPolarHBondContact O-CA 3.5Å
260H95.4Very high91.9Very high68 Ų6868.7 Ų68.732%0.31536%0.36SS..EExtended strand (participates in β ladder)trans-100.2117.3177.2-57.9-100.4000108.8L196 C251 C253L196-H260 WeakPolarHBondContact CD1-CE1 3.21Å; L196-H260 WeakPolarHBondContact CD1-ND1 3.4Å; C251-H260 HydrophobicContact CB-CB 4.32Å; C251-H260 PolarHBondContact N-O 3.16Å; C251-H260 PolarHBondContact O-N 2.85Å; C253-H260 PolarHBondContact SG-NE2 3.07Å
261V96.9Very high91.9Very high5 Ų568 Ų683%0.0336%0.356CS..EExtended strand (participates in β ladder)trans-93.5138.8174.2-174.70000109.1V195 I197 L250 C263 F267 I268 L271 L304 L308V195-V261 HydrophobicContact CB-CB 4.06Å; V195-V261 WeakPolarHBondContact CB-O 3.17Å; V195-V261 VanDerWaalsContact CG2-O 3.3Å; V195-V261 WeakPolarHBondContact CG2-O 3.34Å; V195-V261 PolarHBondContact O-N 2.91Å; I197-V261 HydrophobicContact CD1-CG2 3.73Å; I197-V261 HydrophobicContact CG1-CG2 4.5Å; L250-V261 HydrophobicContact CD2-CB 4.19Å; L250-V261 HydrophobicContact CD2-CG1 3.9Å; L250-V261 HydrophobicContact CD2-CG2 4.01Å; V261-C263 PolarHBondContact O-N 3.06Å; V261-F267 HydrophobicContact CG1-CD1 4.05Å; V261-F267 HydrophobicContact CG1-CE1 3.71Å; V261-I268 HydrophobicContact CG1-CD1 3.9Å; V261-L271 HydrophobicContact CG1-CD1 3.43Å; V261-L271 VanDerWaalsContact CG1-CD1 3.43Å; V261-L304 HydrophobicContact CG2-CD2 4.12Å; V261-L308 HydrophobicContact CG1-CD1 4.11Å; V261-L308 HydrophobicContact CG2-CD1 4.42Å
262C95.5Very high92Very high37 Ų3764.3 Ų64.325%0.2533%0.331CS..PPolyproline II helixtrans-57.2126.7178.7-176.80000111.4G249 E264 F267 I268G249-C262 WeakPolarHBondContact O-CB 3.29Å; G249-C262 PolarHBondContact O-N 3.27Å; C262-E264 PolarHBondContact O-N 3.14Å; C262-E264 VanDerWaalsContact O-N 3.16Å; C262-F267 HydrophobicContact CB-CD1 3.68Å; C262-F267 HydrophobicContact CB-CE1 3.96Å; C262-F267 HydrophobicContact CB-CG 4.04Å; C262-I268 WeakPolarHBondContact O-CD1 3.38Å
263C94.8Very high92Very high28 Ų2864.3 Ų64.319%0.18934%0.337CS..  trans-8013-174.7-161.30000114.2Q188 R191 V195 V261Q188-C263 PolarHBondContact NE2-SG 2.84Å; R191-C263 WeakPolarHBondContact CB-SG 3.43Å; V195-C263 HydrophobicContact CG2-CB 4.11Å; V261-C263 PolarHBondContact O-N 3.06Å
264E95.1Very high92.1Very high132 Ų13264.9 Ų64.962%0.61733%0.332SS*.  trans-73.8128.1175.1-73.1178.9173.100111.2C262 D266 F267 I268C262-E264 PolarHBondContact O-N 3.14Å; C262-E264 VanDerWaalsContact O-N 3.16Å; E264-D266 PolarHBondContact O-N 2.8Å; E264-D266 VanDerWaalsContact O-N 3.16Å; E264-F267 HydrophobicContact CB-CB 4.13Å; E264-F267 WeakPolarHBondContact O-CB 3.03Å; E264-F267 PolarHBondContact O-N 3.14Å; E264-I268 PolarHBondContact O-N 2.77Å
265T94.1Very high92.6Very high62 Ų6261.1 Ų61.138%0.3831%0.308SS..Hα-helixtrans-54.9-37.6-176.8-53.80000113.1W179 W183 A269W179-T265 HydrophobicContact CH2-CG2 3.91Å; W179-T265 HydrophobicContact CZ3-CG2 4.21Å; W183-T265 PolarHBondContact NE1-OG1 3.18Å; T265-A269 VanDerWaalsContact O-CB 3.29Å; T265-A269 WeakPolarHBondContact O-CB 3.28Å; T265-A269 PolarHBondContact O-N 2.76Å
266D94.2Very high93Very high139 Ų13956.5 Ų56.574%0.74329%0.287SS*.Hα-helixtrans-70.8-34.7178.3-70.1-23.6000112.3E264 H270E264-D266 PolarHBondContact O-N 2.8Å; E264-D266 VanDerWaalsContact O-N 3.16Å; D266-H270 VanDerWaalsContact O-CB 3.28Å; D266-H270 WeakPolarHBondContact O-CB 3.44Å; D266-H270 PolarHBondContact O-N 3.49Å
267F95.6Very high93.2Very high41 Ų4153.2 Ų53.218%0.1828%0.276CS..Hα-helixtrans-68.5-45.2175.1-170.1-98.4000111.1E248 L250 V261 C262 E264 H270 L271E248-F267 VanDerWaalsContact O-CE2 3.22Å; E248-F267 WeakPolarHBondContact O-CE2 2.91Å; E248-F267 WeakPolarHBondContact O-CZ 3.32Å; L250-F267 HydrophobicContact CD2-CE1 3.98Å; L250-F267 HydrophobicContact CD2-CZ 4.11Å; L250-F267 HydrophobicContact CG-CZ 4.39Å; V261-F267 HydrophobicContact CG1-CD1 4.05Å; V261-F267 HydrophobicContact CG1-CE1 3.71Å; C262-F267 HydrophobicContact CB-CD1 3.68Å; C262-F267 HydrophobicContact CB-CE1 3.96Å; C262-F267 HydrophobicContact CB-CG 4.04Å; E264-F267 HydrophobicContact CB-CB 4.13Å; E264-F267 WeakPolarHBondContact O-CB 3.03Å; E264-F267 PolarHBondContact O-N 3.14Å; F267-H270 WeakPolarHBondContact O-CB 3.3Å; F267-H270 PolarHBondContact O-N 2.95Å; F267-H270 VanDerWaalsContact O-N 3.15Å; F267-L271 HydrophobicContact CD1-CD1 4.05Å; F267-L271 HydrophobicContact CE1-CD1 3.75Å; F267-L271 HydrophobicContact CE1-CG 4.32Å; F267-L271 PolarHBondContact O-N 3.31Å
268I95.1Very high93Very high1 Ų147.6 Ų47.61%0.00526%0.256CS..Hα-helixtrans-61.2-45.9173.5-61.7-59.4000110.7W179 W183 V195 V261 C262 E264 H270 L271 L272 L308W179-I268 HydrophobicContact CE3-CG2 4.3Å; W179-I268 HydrophobicContact CH2-CG2 4.43Å; W179-I268 HydrophobicContact CZ3-CG2 3.94Å; W183-I268 HydrophobicContact CH2-CG1 4.01Å; W183-I268 HydrophobicContact CZ2-CG1 3.93Å; V195-I268 HydrophobicContact CG1-CD1 3.7Å; V195-I268 HydrophobicContact CG1-CG1 4.44Å; V261-I268 HydrophobicContact CG1-CD1 3.9Å; C262-I268 WeakPolarHBondContact O-CD1 3.38Å; E264-I268 PolarHBondContact O-N 2.77Å; I268-H270 VanDerWaalsContact C-N 3.26Å; I268-H270 PolarHBondContact O-N 2.9Å; I268-L271 PolarHBondContact O-N 3.5Å; I268-L272 HydrophobicContact CG2-CD1 3.68Å; I268-L272 HydrophobicContact CG2-CG 4.19Å; I268-L272 VanDerWaalsContact O-CG 3.24Å; I268-L272 WeakPolarHBondContact O-CG 3.42Å; I268-L272 PolarHBondContact O-N 3.38Å; I268-L308 HydrophobicContact CD1-CD1 4.15Å
269A93.8Very high92.5Very high36 Ų3646.7 Ų46.730%0.29825%0.251SS..Hα-helixtrans-56.4-39.9173.600000112.4W179 T265 G273W179-A269 HydrophobicContact CH2-CB 3.79Å; W179-A269 HydrophobicContact CZ2-CB 3.57Å; T265-A269 VanDerWaalsContact O-CB 3.29Å; T265-A269 WeakPolarHBondContact O-CB 3.28Å; T265-A269 PolarHBondContact O-N 2.76Å; A269-G273 PolarHBondContact O-N 3.05Å
270H93.9Very high91.6Very high127 Ų12749.6 Ų49.659%0.58827%0.271SS*.Hα-helixtrans-71.6-30.1179.8-170.940.2000113.5D266 F267 I268 R274D266-H270 VanDerWaalsContact O-CB 3.28Å; D266-H270 WeakPolarHBondContact O-CB 3.44Å; D266-H270 PolarHBondContact O-N 3.49Å; F267-H270 WeakPolarHBondContact O-CB 3.3Å; F267-H270 PolarHBondContact O-N 2.95Å; F267-H270 VanDerWaalsContact O-N 3.15Å; I268-H270 VanDerWaalsContact C-N 3.26Å; I268-H270 PolarHBondContact O-N 2.9Å; H270-R274 PolarHBondContact CD2-NH1 3.11Å; H270-R274 VanDerWaalsContact CG-NH1 3.32Å; H270-R274 PolarHBondContact ND1-NH1 3.41Å; H270-R274 PolarHBondContact O-NH1 3.3Å
271L94.6Very high90.2Very high3 Ų348.9 Ų48.92%0.01628%0.283CS..Hα-helixtrans-73.8-48.3170.2-71.6176.5000111.7V261 F267 I268 G273 R274 A275 L301 L308V261-L271 HydrophobicContact CG1-CD1 3.43Å; V261-L271 VanDerWaalsContact CG1-CD1 3.43Å; F267-L271 HydrophobicContact CD1-CD1 4.05Å; F267-L271 HydrophobicContact CE1-CD1 3.75Å; F267-L271 HydrophobicContact CE1-CG 4.32Å; F267-L271 PolarHBondContact O-N 3.31Å; I268-L271 PolarHBondContact O-N 3.5Å; L271-G273 VanDerWaalsContact C-N 3.28Å; L271-G273 PolarHBondContact O-N 3.06Å; L271-R274 WeakPolarHBondContact O-CB 3.4Å; L271-R274 PolarHBondContact O-N 2.96Å; L271-A275 PolarHBondContact O-N 3.33Å; L271-L301 HydrophobicContact CD2-CB 4.27Å; L271-L301 HydrophobicContact CD2-CD2 4.01Å; L271-L308 HydrophobicContact CD1-CD1 3.98Å
272L93Very high88.6Confident7 Ų752.2 Ų52.24%0.03732%0.318CS..Hα-helixtrans-62.7-36.1179.7-61.6173.6000111.5W179 I268 R274 A275 E276 L308 Y309 L312W179-L272 HydrophobicContact CB-CD1 4.17Å; W179-L272 HydrophobicContact CD2-CD1 3.31Å; W179-L272 HydrophobicContact CE3-CD1 3.7Å; W179-L272 HydrophobicContact CG-CD1 3.51Å; W179-L272 HydrophobicContact CZ2-CD1 4.23Å; W179-L272 HydrophobicContact CZ3-CD1 4.29Å; I268-L272 HydrophobicContact CG2-CD1 3.68Å; I268-L272 HydrophobicContact CG2-CG 4.19Å; I268-L272 VanDerWaalsContact O-CG 3.24Å; I268-L272 WeakPolarHBondContact O-CG 3.42Å; I268-L272 PolarHBondContact O-N 3.38Å; L272-R274 VanDerWaalsContact C-N 3.3Å; L272-R274 PolarHBondContact O-N 3.34Å; L272-A275 PolarHBondContact O-N 2.85Å; L272-E276 PolarHBondContact O-N 3.31Å; L272-L308 HydrophobicContact CD2-CB 3.94Å; L272-Y309 HydrophobicContact CD2-CD2 4.16Å; L272-Y309 HydrophobicContact CD2-CG 4.43Å; L272-L312 HydrophobicContact CD1-CD1 3.92Å; L272-L312 HydrophobicContact CD2-CD1 4.34Å
273G90.8Very high86.9Confident38 Ų3855.5 Ų55.539%0.39233%0.326SS..Hα-helixtrans-66-23.2173.200000114.9A269 L271A269-G273 PolarHBondContact O-N 3.05Å; L271-G273 VanDerWaalsContact C-N 3.28Å; L271-G273 PolarHBondContact O-N 3.06Å
274R90.9Very high85.2Confident60 Ų6059.8 Ų59.823%0.22634%0.343CS..Hα-helixtrans-72.2-31.2168.2-74.7179176.673.3-3.6111.9H270 L271 L272 P277H270-R274 PolarHBondContact CD2-NH1 3.11Å; H270-R274 VanDerWaalsContact CG-NH1 3.32Å; H270-R274 PolarHBondContact ND1-NH1 3.41Å; H270-R274 PolarHBondContact O-NH1 3.3Å; L271-R274 WeakPolarHBondContact O-CB 3.4Å; L271-R274 PolarHBondContact O-N 2.96Å; L272-R274 VanDerWaalsContact C-N 3.3Å; L272-R274 PolarHBondContact O-N 3.34Å; R274-P277 WeakPolarHBondContact O-CD 3.48Å
275A91.1Very high83.5Confident0 Ų065.1 Ų65.10%036%0.357CS..Hα-helixtrans-87.5-23.1-176.700000114.1L271 L272 P277 E278 F279 G305 I306L271-A275 PolarHBondContact O-N 3.33Å; L272-A275 PolarHBondContact O-N 2.85Å; A275-P277 VanDerWaalsContact C-N 3.31Å; A275-P277 VanDerWaalsContact O-N 3.11Å; A275-E278 VanDerWaalsContact O-CB 3.28Å; A275-E278 WeakPolarHBondContact O-CB 3.46Å; A275-E278 PolarHBondContact O-N 3.17Å; A275-F279 HydrophobicContact CB-CE2 3.95Å; A275-F279 WeakPolarHBondContact O-CD2 3.39Å; A275-G305 VanDerWaalsContact CB-C 3.42Å; A275-I306 HydrophobicContact CB-CG1 3.82Å
276E87.4Confident82.1Confident94 Ų9469.9 Ų69.944%0.43937%0.368SS..Hα-helixtrans-45.2-40.7177.8-169.2-171.6170.100115.5L272 E278 F279 S280L272-E276 PolarHBondContact O-N 3.31Å; E276-E278 PolarHBondContact O-N 3.49Å; E276-F279 PolarHBondContact O-N 3.07Å; E276-S280 WeakPolarHBondContact O-CB 3.49Å; E276-S280 PolarHBondContact O-N 3.28Å; E276-S280 PolarHBondContact O-OG 2.99Å
277P86.1Confident81.1Confident55 Ų5569.2 Ų69.236%0.35736%0.361SS..Hα-helixtrans-61.1-24.6177.7-2436000114.4R274 A275R274-P277 WeakPolarHBondContact O-CD 3.48Å; A275-P277 VanDerWaalsContact C-N 3.31Å; A275-P277 VanDerWaalsContact O-N 3.11Å
278E86.3Confident80.5Confident13 Ų1369.9 Ų69.96%0.06136%0.362CS..Hα-helixtrans-80.3-29.6-174.1-63.1-63.1160.500113.2Y209 K212 H213 A275 E276 R288 I306Y209-E278 HydrophobicContact CE2-CG 3.95Å; Y209-E278 PolarHBondContact OH-OE1 3.32Å; K212-E278 PolarHBondContact NZ-O 3.21Å; K212-E278 IonicContact NZ-OE2 3.69Å; H213-E278 IonicContact CD2-OE2 3.8Å; H213-E278 IonicContact CE1-OE1 3.07Å; H213-E278 PolarHBondContact CE1-OE1 2.84Å; H213-E278 VanDerWaalsContact CE1-OE1 3.22Å; H213-E278 IonicContact CE1-OE2 2.86Å; H213-E278 PolarHBondContact CE1-OE2 3.28Å; H213-E278 IonicContact NE2-OE1 3.83Å; H213-E278 PolarHBondContact NE2-OE1 3.06Å; H213-E278 VanDerWaalsContact NE2-OE1 3.11Å; H213-E278 IonicContact NE2-OE2 2.99Å; H213-E278 PolarHBondContact NE2-OE2 2.9Å; A275-E278 VanDerWaalsContact O-CB 3.28Å; A275-E278 WeakPolarHBondContact O-CB 3.46Å; A275-E278 PolarHBondContact O-N 3.17Å; E276-E278 PolarHBondContact O-N 3.49Å; E278-R288 IonicContact OE1-CZ 3.35Å; E278-R288 IonicContact OE1-NE 2.6Å; E278-R288 IonicContact OE1-NH2 2.65Å; E278-R288 PolarHBondContact OE1-NH2 3.02Å; E278-I306 HydrophobicContact CB-CD1 4.44Å; E278-I306 HydrophobicContact CG-CD1 4.17Å
279F82.1Confident80.2Confident35 Ų3573.1 Ų73.115%0.15438%0.377CS..Hα-helixtrans-86.5-20173-52.8-71000112.2P172 P174 A275 E276 G281 I306 Y309 E310P172-F279 HydrophobicContact CB-CD1 4.12Å; P172-F279 HydrophobicContact CB-CE1 4.47Å; P174-F279 HydrophobicContact CG-CB 4.3Å; P174-F279 WeakPolarHBondContact CG-O 3.25Å; A275-F279 HydrophobicContact CB-CE2 3.95Å; A275-F279 WeakPolarHBondContact O-CD2 3.39Å; E276-F279 PolarHBondContact O-N 3.07Å; F279-G281 PolarHBondContact O-N 2.89Å; F279-G281 VanDerWaalsContact O-N 3.14Å; F279-I306 HydrophobicContact CZ-CB 4.42Å; F279-I306 HydrophobicContact CZ-CG1 4.32Å; F279-I306 HydrophobicContact CZ-CG2 4.12Å; F279-Y309 HydrophobicContact CD1-CD1 4.16Å; F279-Y309 HydrophobicContact CD1-CE1 4.03Å; F279-Y309 AromaticContact CD2-CD1 3.66Å; F279-Y309 HydrophobicContact CD2-CD1 3.66Å; F279-Y309 AromaticContact CD2-CE1 3.62Å; F279-Y309 HydrophobicContact CD2-CE1 3.62Å; F279-Y309 HydrophobicContact CD2-CG 4.21Å; F279-Y309 AromaticContact CE1-CD1 3.79Å; F279-Y309 HydrophobicContact CE1-CD1 3.79Å; F279-Y309 HydrophobicContact CE1-CE1 4.14Å; F279-Y309 AromaticContact CE2-CD1 3.23Å; F279-Y309 HydrophobicContact CE2-CD1 3.23Å; F279-Y309 HydrophobicContact CE2-CD2 4.41Å; F279-Y309 AromaticContact CE2-CE1 3.74Å; F279-Y309 HydrophobicContact CE2-CE1 3.74Å; F279-Y309 AromaticContact CE2-CG 3.61Å; F279-Y309 HydrophobicContact CE2-CG 3.61Å; F279-Y309 HydrophobicContact CG-CD1 4.1Å; F279-Y309 AromaticContact CG-CE1 3.78Å; F279-Y309 HydrophobicContact CG-CE1 3.78Å; F279-Y309 AromaticContact CZ-CD1 3.31Å; F279-Y309 HydrophobicContact CZ-CD1 3.31Å; F279-Y309 HydrophobicContact CZ-CE1 4Å; F279-Y309 AromaticContact CZ-CG 3.96Å; F279-Y309 HydrophobicContact CZ-CG 3.96Å; F279-E310 HydrophobicContact CE1-CG 4.08Å; F279-E310 HydrophobicContact CZ-CG 4.17Å
280S77.5Confident80.2Confident60 Ų6071.4 Ų71.442%0.4236%0.363SS..SBendtrans-73.50.8-174.9-66.40000115.3E276 G282E276-S280 WeakPolarHBondContact O-CB 3.49Å; E276-S280 PolarHBondContact O-N 3.28Å; E276-S280 PolarHBondContact O-OG 2.99Å; S280-G282 PolarHBondContact O-N 2.84Å
281G65.6Low80.2Confident54 Ų5472.5 Ų72.556%0.55737%0.366SS*.SBendtrans66.7-6.8167.300000117.4F279F279-G281 PolarHBondContact O-N 2.89Å; F279-G281 VanDerWaalsContact O-N 3.14Å
282G63.6Low80.2Confident74 Ų7475.5 Ų75.576%0.76338%0.384SS*.SBendtrans-90.9-10.9-176.300000115.8S280S280-G282 PolarHBondContact O-N 2.84Å
283Y60.2Low80.3Confident107 Ų10775.5 Ų75.542%0.4238%0.384SS..  trans-110-3.9-162.3-123.3-92.5000116.4R285 R286Y283-R285 PolarHBondContact O-N 3.13Å; Y283-R286 PolarHBondContact OH-NH1 3.44Å
284E57.6Low80.6Confident118 Ų11876.8 Ų76.855%0.55138%0.382SS*.THydrogen-bonded Turntrans-69.522.8-168.2-51.3-168.8130.700116.3K212K212-E284 WeakPolarHBondContact CE-OE1 3.49Å; K212-E284 IonicContact NZ-OE1 3.21Å; K212-E284 PolarHBondContact NZ-OE1 3.14Å
285R59.1Low80.8Confident244 Ų24476.8 Ų76.892%0.92139%0.386SS*.THydrogen-bonded Turntrans-14122.6-174-57.4-173.9-168.8157.56.3114.2Y283Y283-R285 PolarHBondContact O-N 3.13Å
286R65.4Low81.1Confident162 Ų16276.8 Ų76.861%0.61139%0.386SS*.SBendtrans-116.5132.2171.1-69.8-176.7177.9179.6-0.9109.8Y283 R288Y283-R286 PolarHBondContact OH-NH1 3.44Å; R286-R288 PolarHBondContact O-N 2.99Å
287E73.3Confident81.6Confident125 Ų12572.3 Ų72.358%0.58437%0.365SS*.  trans-71.8122173.6-164176.516800108.8H289E287-H289 IonicContact OE1-CE1 3.63Å; E287-H289 PolarHBondContact OE1-CE1 2.96Å; E287-H289 IonicContact OE1-NE2 3.32Å
288R83.1Confident82.1Confident55 Ų5574.1 Ų74.121%0.20837%0.369CS..  trans-93.8146.7177.2-71.1-175.3171.7-112.811.7110.9Y209 H213 F215 E278 R286 E299Y209-R288 PolarHBondContact OH-NE 2.85Å; Y209-R288 PolarHBondContact OH-NH1 3.44Å; Y209-R288 PolarHBondContact OH-NH2 3.02Å; H213-R288 HydrophobicContact CB-CB 4.31Å; H213-R288 HydrophobicContact CB-CG 4.19Å; H213-R288 PolarHBondContact ND1-NE 2.85Å; F215-R288 HydrophobicContact CD1-CB 4.05Å; F215-R288 VanDerWaalsContact CD1-O 3.24Å; F215-R288 WeakPolarHBondContact CD1-O 3.27Å; F215-R288 HydrophobicContact CD2-CB 4.13Å; F215-R288 HydrophobicContact CE1-CB 3.54Å; F215-R288 HydrophobicContact CE2-CB 3.64Å; F215-R288 HydrophobicContact CE2-CG 4.38Å; F215-R288 HydrophobicContact CG-CB 4.35Å; F215-R288 HydrophobicContact CZ-CB 3.32Å; F215-R288 HydrophobicContact CZ-CG 4.18Å; E278-R288 IonicContact OE1-CZ 3.35Å; E278-R288 IonicContact OE1-NE 2.6Å; E278-R288 IonicContact OE1-NH2 2.65Å; E278-R288 PolarHBondContact OE1-NH2 3.02Å; R286-R288 PolarHBondContact O-N 2.99Å; R288-E299 IonicContact CZ-OE1 3.96Å; R288-E299 IonicContact CZ-OE2 2.68Å; R288-E299 VanDerWaalsContact NH1-CD 3.31Å; R288-E299 IonicContact NH1-OE1 3.11Å; R288-E299 PolarHBondContact NH1-OE1 3.4Å; R288-E299 IonicContact NH1-OE2 3.22Å; R288-E299 PolarHBondContact NH1-OE2 2.97Å
289H89.3Confident82.5Confident68 Ų6874.2 Ų74.232%0.31537%0.369SS..  trans-143.7104.1-178.8-59.6-76.7000112.4E287 K291E287-H289 IonicContact OE1-CE1 3.63Å; E287-H289 PolarHBondContact OE1-CE1 2.96Å; E287-H289 IonicContact OE1-NE2 3.32Å; H289-K291 HydrophobicContact CB-CG 4.14Å; H289-K291 PolarHBondContact O-N 3.15Å
290A93.6Very high83.3Confident0 Ų072.6 Ų72.60%036%0.362CS..  trans-72.390.3163.200000110.3F215 C219 V223 I295 A296F215-A290 HydrophobicContact CE1-CB 4.41Å; C219-A290 HydrophobicContact CB-CB 4.31Å; C219-A290 PolarHBondContact SG-O 3.36Å; C219-A290 VanDerWaalsContact SG-O 3.34Å; V223-A290 HydrophobicContact CG2-CB 3.65Å; A290-I295 HydrophobicContact CB-CG2 4.36Å; A290-A296 HydrophobicContact CB-CB 3.89Å
291K92.8Very high84.2Confident150 Ų15069.9 Ų69.965%0.65234%0.343SS*.  trans-77.5-28.8-177.1-67.9-177.7-180178.90113K222 H289K222-K291 WeakPolarHBondContact CE-O 3.44Å; H289-K291 HydrophobicContact CB-CG 4.14Å; H289-K291 PolarHBondContact O-N 3.15Å
292T95.1Very high85.7Confident66 Ų6667.9 Ų67.941%0.40532%0.32SS..SBendtrans-132.9164.2-177.742.80000109.4D294 I295 A296T292-D294 WeakPolarHBondContact CB-OD1 3.35Å; T292-D294 PolarHBondContact OG1-OD1 3.34Å; T292-I295 PolarHBondContact O-N 2.88Å; T292-I295 WeakPolarHBondContact OG1-CD1 3.35Å; T292-A296 PolarHBondContact O-N 2.73Å; T292-A296 VanDerWaalsContact O-N 3.09Å
293I96.2Very high87.3Confident7 Ų764.4 Ų64.44%0.03628%0.284CS..Hα-helixtrans-71.3-36.1-173.4-75-74.9000112.3K222 R225 E239 I295 A296 Q297K222-I293 HydrophobicContact CB-CD1 3.99Å; K222-I293 HydrophobicContact CG-CD1 4.18Å; R225-I293 HydrophobicContact CB-CD1 4.39Å; R225-I293 HydrophobicContact CG-CD1 4.21Å; E239-I293 HydrophobicContact CG-CB 4.4Å; E239-I293 HydrophobicContact CG-CD1 4.1Å; E239-I293 HydrophobicContact CG-CG1 3.84Å; E239-I293 HydrophobicContact CG-CG2 4Å; I293-I295 PolarHBondContact O-N 2.83Å; I293-A296 CarbonylContact O-C 3.56Å; I293-A296 WeakPolarHBondContact O-CA 3.48Å; I293-A296 VanDerWaalsContact O-CB 3.26Å; I293-A296 WeakPolarHBondContact O-CB 3.35Å; I293-A296 PolarHBondContact O-N 3.14Å; I293-Q297 HydrophobicContact CG2-CG 4.44Å; I293-Q297 WeakPolarHBondContact O-CG 3.46Å; I293-Q297 PolarHBondContact O-N 2.8Å
294D95.9Very high89Confident65 Ų6559.3 Ų59.335%0.34826%0.264SS..Hα-helixtrans-52.9-48.9170.157.2-11.3000112.9G241 C243 L246 T292 A296 Q297 E298G241-D294 PolarHBondContact O-N 3.37Å; G241-D294 VanDerWaalsContact O-N 3.16Å; C243-D294 HydrophobicContact CB-CB 4.49Å; L246-D294 HydrophobicContact CD1-CB 4.23Å; L246-D294 WeakPolarHBondContact CD1-O 3.14Å; T292-D294 WeakPolarHBondContact CB-OD1 3.35Å; T292-D294 PolarHBondContact OG1-OD1 3.34Å; D294-A296 VanDerWaalsContact C-N 3.27Å; D294-A296 PolarHBondContact O-N 3.01Å; D294-Q297 WeakPolarHBondContact O-CB 3.38Å; D294-Q297 PolarHBondContact O-N 2.76Å; D294-E298 PolarHBondContact O-N 3.1Å; D294-E298 VanDerWaalsContact O-N 3.07Å
295I95.6Very high90.9Very high60 Ų6053.7 Ų53.731%0.30824%0.238SC..Hα-helixtrans-64.4-34.8174-57.4174.1000110.5A290 T292 I293 E298 E299A290-I295 HydrophobicContact CB-CG2 4.36Å; T292-I295 PolarHBondContact O-N 2.88Å; T292-I295 WeakPolarHBondContact OG1-CD1 3.35Å; I293-I295 PolarHBondContact O-N 2.83Å; I295-E298 PolarHBondContact O-N 2.65Å; I295-E299 WeakPolarHBondContact O-CG 3.43Å; I295-E299 PolarHBondContact O-N 2.9Å; I295-E299 VanDerWaalsContact O-N 3.15Å
296A97.4Very high92.5Very high0 Ų042.8 Ų42.80%020%0.198CC..Hα-helixtrans-66-38176.400000112.3K222 V223 A226 A290 T292 I293 D294 E299 V300K222-A296 HydrophobicContact CB-CB 3.94Å; K222-A296 WeakPolarHBondContact O-CB 3.45Å; V223-A296 HydrophobicContact CG2-CB 4.03Å; A226-A296 HydrophobicContact CB-CB 3.93Å; A290-A296 HydrophobicContact CB-CB 3.89Å; T292-A296 PolarHBondContact O-N 2.73Å; T292-A296 VanDerWaalsContact O-N 3.09Å; I293-A296 CarbonylContact O-C 3.56Å; I293-A296 WeakPolarHBondContact O-CA 3.48Å; I293-A296 VanDerWaalsContact O-CB 3.26Å; I293-A296 WeakPolarHBondContact O-CB 3.35Å; I293-A296 PolarHBondContact O-N 3.14Å; D294-A296 VanDerWaalsContact C-N 3.27Å; D294-A296 PolarHBondContact O-N 3.01Å; A296-E299 PolarHBondContact O-N 3.43Å; A296-V300 WeakPolarHBondContact O-CG2 3.47Å; A296-V300 PolarHBondContact O-N 3.27Å; A296-V300 VanDerWaalsContact O-N 3.12Å
297Q97.6Very high93.9Very high0 Ų036.7 Ų36.70%018%0.176CC..Hα-helixtrans-63.2-41171.2-66.8178-100.100111.3A226 C243 L246 Y247 I293 D294 E299 V300 L301A226-Q297 HydrophobicContact CB-CG 4.08Å; C243-Q297 PolarHBondContact O-NE2 2.82Å; L246-Q297 HydrophobicContact CB-CB 4.29Å; L246-Q297 HydrophobicContact CD1-CB 3.82Å; Y247-Q297 HydrophobicContact CD1-CB 4.41Å; Y247-Q297 HydrophobicContact CE1-CB 3.67Å; Y247-Q297 HydrophobicContact CE1-CG 3.86Å; Y247-Q297 HydrophobicContact CE2-CG 4.09Å; I293-Q297 HydrophobicContact CG2-CG 4.44Å; I293-Q297 WeakPolarHBondContact O-CG 3.46Å; I293-Q297 PolarHBondContact O-N 2.8Å; D294-Q297 WeakPolarHBondContact O-CB 3.38Å; D294-Q297 PolarHBondContact O-N 2.76Å; Q297-E299 VanDerWaalsContact C-N 3.31Å; Q297-E299 PolarHBondContact O-N 3.11Å; Q297-V300 PolarHBondContact O-N 3.27Å; Q297-V300 VanDerWaalsContact O-N 3.13Å; Q297-L301 WeakPolarHBondContact O-CG 3.45Å; Q297-L301 PolarHBondContact O-N 3.45Å
298E96.3Very high95Very high93 Ų9330.8 Ų30.844%0.43515%0.148SC..Hα-helixtrans-61.8-35.3175.6-70.1-167.2159.700113.3L246 D294 I295 L301 T302L246-E298 HydrophobicContact CD1-CG 4.15Å; L246-E298 HydrophobicContact CD2-CG 4.24Å; D294-E298 PolarHBondContact O-N 3.1Å; D294-E298 VanDerWaalsContact O-N 3.07Å; I295-E298 PolarHBondContact O-N 2.65Å; E298-L301 PolarHBondContact O-N 3.35Å; E298-T302 WeakPolarHBondContact O-CB 3.42Å; E298-T302 PolarHBondContact O-N 3.34Å; E298-T302 PolarHBondContact O-OG1 3.28Å
299E96.3Very high95.4Very high15 Ų1529.2 Ų29.27%0.0714%0.143CC..Hα-helixtrans-71.8-32.9174.2-58.6-74-162.500111.5Y209 F215 V223 R288 I295 A296 Q297 T302 C303Y209-E299 WeakPolarHBondContact CE1-OE2 3.21Å; Y209-E299 PolarHBondContact OH-OE2 2.73Å; F215-E299 HydrophobicContact CE1-CG 4.15Å; F215-E299 HydrophobicContact CZ-CB 4.48Å; F215-E299 HydrophobicContact CZ-CG 3.92Å; F215-E299 WeakPolarHBondContact CZ-OE1 3.4Å; V223-E299 HydrophobicContact CG2-CB 4.15Å; R288-E299 IonicContact CZ-OE1 3.96Å; R288-E299 IonicContact CZ-OE2 2.68Å; R288-E299 VanDerWaalsContact NH1-CD 3.31Å; R288-E299 IonicContact NH1-OE1 3.11Å; R288-E299 PolarHBondContact NH1-OE1 3.4Å; R288-E299 IonicContact NH1-OE2 3.22Å; R288-E299 PolarHBondContact NH1-OE2 2.97Å; I295-E299 WeakPolarHBondContact O-CG 3.43Å; I295-E299 PolarHBondContact O-N 2.9Å; I295-E299 VanDerWaalsContact O-N 3.15Å; A296-E299 PolarHBondContact O-N 3.43Å; Q297-E299 VanDerWaalsContact C-N 3.31Å; Q297-E299 PolarHBondContact O-N 3.11Å; E299-T302 WeakPolarHBondContact O-CB 3.22Å; E299-T302 PolarHBondContact O-N 3.13Å; E299-C303 PolarHBondContact O-N 3.33Å; E299-C303 PolarHBondContact O-SG 2.96Å
300V97.6Very high95.5Very high1 Ų130.1 Ų30.11%0.00615%0.147CC..Hα-helixtrans-66.7-43.9170.5175.10000111.5L206 V223 A226 L230 A296 Q297 T302 C303 L304L206-V300 HydrophobicContact CD1-CG2 4.22Å; V223-V300 HydrophobicContact CG1-CG2 4.03Å; A226-V300 HydrophobicContact CB-CG2 4.14Å; L230-V300 HydrophobicContact CD2-CG1 3.87Å; A296-V300 WeakPolarHBondContact O-CG2 3.47Å; A296-V300 PolarHBondContact O-N 3.27Å; A296-V300 VanDerWaalsContact O-N 3.12Å; Q297-V300 PolarHBondContact O-N 3.27Å; Q297-V300 VanDerWaalsContact O-N 3.13Å; V300-T302 PolarHBondContact O-N 3.44Å; V300-C303 WeakPolarHBondContact O-CB 3.24Å; V300-C303 PolarHBondContact O-N 2.97Å; V300-L304 PolarHBondContact O-N 3.09Å
301L97.6Very high95.4Very high4 Ų431.4 Ų31.42%0.02115%0.152CC..Hα-helixtrans-59.6-36.1172.7-68.1176.1000112.1L246 Y247 L250 L271 Q297 E298 C303 L304 G305L246-L301 HydrophobicContact CB-CD1 4.3Å; L246-L301 HydrophobicContact CD2-CD1 4.33Å; L246-L301 WeakPolarHBondContact O-CD1 3.48Å; L246-L301 WeakPolarHBondContact O-CD2 3.48Å; Y247-L301 HydrophobicContact CD1-CD2 4.16Å; Y247-L301 HydrophobicContact CE1-CD2 4.34Å; Y247-L301 HydrophobicContact CE1-CG 4.39Å; L250-L301 HydrophobicContact CD1-CD2 3.79Å; L271-L301 HydrophobicContact CD2-CB 4.27Å; L271-L301 HydrophobicContact CD2-CD2 4.01Å; Q297-L301 WeakPolarHBondContact O-CG 3.45Å; Q297-L301 PolarHBondContact O-N 3.45Å; E298-L301 PolarHBondContact O-N 3.35Å; L301-C303 VanDerWaalsContact C-N 3.34Å; L301-L304 HydrophobicContact CD2-CD1 4.27Å; L301-L304 PolarHBondContact O-N 3.28Å; L301-G305 PolarHBondContact O-N 3.48Å
302T95.9Very high95.4Very high12 Ų1224.3 Ų24.37%0.07412%0.121CC..Hα-helixtrans-65.3-39174.4-57.80000110.8Y209 E298 E299 V300 G305 I306Y209-T302 HydrophobicContact CE2-CG2 4.28Å; E298-T302 WeakPolarHBondContact O-CB 3.42Å; E298-T302 PolarHBondContact O-N 3.34Å; E298-T302 PolarHBondContact O-OG1 3.28Å; E299-T302 WeakPolarHBondContact O-CB 3.22Å; E299-T302 PolarHBondContact O-N 3.13Å; V300-T302 PolarHBondContact O-N 3.44Å; T302-G305 PolarHBondContact O-N 3.47Å; T302-I306 HydrophobicContact CG2-CD1 4.41Å; T302-I306 WeakPolarHBondContact O-CG1 3.17Å; T302-I306 PolarHBondContact O-N 3.04Å
303C97.1Very high95.1Very high0 Ų022.1 Ų22.10%011%0.106CC..Hα-helixtrans-70.2-37.9176.1-63.60000113.4L202 T205 L206 Y209 E299 V300 L301 G305 I306 H307L202-C303 HydrophobicContact CD1-CB 4.36Å; T205-C303 HydrophobicContact CG2-CB 4.48Å; L206-C303 HydrophobicContact CD1-CB 3.87Å; L206-C303 WeakPolarHBondContact CD1-SG 3.45Å; Y209-C303 VanDerWaalsContact CB-SG 3.57Å; Y209-C303 VanDerWaalsContact CD1-SG 3.53Å; E299-C303 PolarHBondContact O-N 3.33Å; E299-C303 PolarHBondContact O-SG 2.96Å; V300-C303 WeakPolarHBondContact O-CB 3.24Å; V300-C303 PolarHBondContact O-N 2.97Å; L301-C303 VanDerWaalsContact C-N 3.34Å; C303-G305 VanDerWaalsContact C-N 3.31Å; C303-G305 PolarHBondContact O-N 3.04Å; C303-I306 PolarHBondContact O-N 2.99Å; C303-H307 WeakPolarHBondContact O-CB 3.44Å; C303-H307 PolarHBondContact O-N 3.25Å
304L97.4Very high94.8Very high0 Ų027.3 Ų27.30%013%0.125CC..Hα-helixtrans-57.5-45168.3-79.7165000111.3I197 L202 L230 L250 V261 V300 L301 I306 H307 L308I197-L304 HydrophobicContact CD1-CD2 3.72Å; L202-L304 HydrophobicContact CD1-CD2 3.93Å; L202-L304 HydrophobicContact CD1-CG 4.05Å; L202-L304 HydrophobicContact CD2-CD2 3.65Å; L202-L304 HydrophobicContact CD2-CG 3.98Å; L202-L304 HydrophobicContact CG-CD2 4.43Å; L230-L304 HydrophobicContact CD2-CD1 4Å; L250-L304 HydrophobicContact CD1-CD1 3.65Å; L250-L304 HydrophobicContact CD2-CD1 4.19Å; V261-L304 HydrophobicContact CG2-CD2 4.12Å; V300-L304 PolarHBondContact O-N 3.09Å; L301-L304 HydrophobicContact CD2-CD1 4.27Å; L301-L304 PolarHBondContact O-N 3.28Å; L304-I306 PolarHBondContact O-N 3.16Å; L304-H307 PolarHBondContact O-N 3.23Å; L304-L308 WeakPolarHBondContact O-CB 3.49Å; L304-L308 WeakPolarHBondContact O-CG 3.11Å; L304-L308 PolarHBondContact O-N 3.22Å
305G95.6Very high94.7Very high0 Ų024.2 Ų24.20%011%0.109CC..Hα-helixtrans-61.1-40.7174.900000113.4A275 L301 T302 C303 Y309A275-G305 VanDerWaalsContact CB-C 3.42Å; L301-G305 PolarHBondContact O-N 3.48Å; T302-G305 PolarHBondContact O-N 3.47Å; C303-G305 VanDerWaalsContact C-N 3.31Å; C303-G305 PolarHBondContact O-N 3.04Å; G305-Y309 VanDerWaalsContact O-CB 3.23Å; G305-Y309 WeakPolarHBondContact O-CB 3.44Å; G305-Y309 PolarHBondContact O-N 3.15Å
306I94.2Very high94.5Very high15 Ų1522.9 Ų22.98%0.07710%0.1CC..Hα-helixtrans-62.6-50.1174.6-69.2164.6000110.2T205 Y209 A275 E278 F279 T302 C303 L304 L308 Y309 E310T205-I306 HydrophobicContact CG2-CB 4.3Å; T205-I306 HydrophobicContact CG2-CG2 3.94Å; Y209-I306 HydrophobicContact CD2-CD1 3.37Å; Y209-I306 HydrophobicContact CE2-CD1 3.59Å; Y209-I306 HydrophobicContact CG-CD1 4.36Å; A275-I306 HydrophobicContact CB-CG1 3.82Å; E278-I306 HydrophobicContact CB-CD1 4.44Å; E278-I306 HydrophobicContact CG-CD1 4.17Å; F279-I306 HydrophobicContact CZ-CB 4.42Å; F279-I306 HydrophobicContact CZ-CG1 4.32Å; F279-I306 HydrophobicContact CZ-CG2 4.12Å; T302-I306 HydrophobicContact CG2-CD1 4.41Å; T302-I306 WeakPolarHBondContact O-CG1 3.17Å; T302-I306 PolarHBondContact O-N 3.04Å; C303-I306 PolarHBondContact O-N 2.99Å; L304-I306 PolarHBondContact O-N 3.16Å; I306-L308 PolarHBondContact O-N 3.13Å; I306-Y309 PolarHBondContact O-N 3.01Å; I306-E310 WeakPolarHBondContact O-CG 3.24Å; I306-E310 PolarHBondContact O-N 3.47Å
307H95.1Very high94Very high34 Ų3424.7 Ų24.716%0.15711%0.108CC..Hα-helixtrans-58.9-49.4-178-170.588.2000111.7L202 T205 C303 L304 Y309 E310 R311L202-H307 HydrophobicContact CD1-CB 4.46Å; T205-H307 HydrophobicContact CG2-CB 4.27Å; T205-H307 PolarHBondContact OG1-ND1 3.28Å; C303-H307 WeakPolarHBondContact O-CB 3.44Å; C303-H307 PolarHBondContact O-N 3.25Å; L304-H307 PolarHBondContact O-N 3.23Å; H307-Y309 PolarHBondContact O-N 2.95Å; H307-E310 PolarHBondContact O-N 2.94Å; H307-R311 WeakPolarHBondContact O-CB 3.47Å; H307-R311 PolarHBondContact O-N 2.96Å
308L94.5Very high93.7Very high1 Ų128.4 Ų28.41%0.00513%0.125CC..Hα-helixtrans-62.7-40.6176.2-73.1169000112.3V194 I197 V261 I268 L271 L272 L304 I306 R311 L312V194-L308 WeakPolarHBondContact O-CD2 3.48Å; I197-L308 HydrophobicContact CD1-CD1 4.45Å; I197-L308 HydrophobicContact CD1-CD2 3.92Å; I197-L308 HydrophobicContact CD1-CG 3.94Å; I197-L308 HydrophobicContact CG1-CD2 4.43Å; V261-L308 HydrophobicContact CG1-CD1 4.11Å; V261-L308 HydrophobicContact CG2-CD1 4.42Å; I268-L308 HydrophobicContact CD1-CD1 4.15Å; L271-L308 HydrophobicContact CD1-CD1 3.98Å; L272-L308 HydrophobicContact CD2-CB 3.94Å; L304-L308 WeakPolarHBondContact O-CB 3.49Å; L304-L308 WeakPolarHBondContact O-CG 3.11Å; L304-L308 PolarHBondContact O-N 3.22Å; I306-L308 PolarHBondContact O-N 3.13Å; L308-R311 PolarHBondContact O-N 3.01Å; L308-L312 VanDerWaalsContact O-CB 3.25Å; L308-L312 WeakPolarHBondContact O-CB 3.23Å; L308-L312 VanDerWaalsContact O-CG 3.3Å; L308-L312 WeakPolarHBondContact O-CG 3.23Å; L308-L312 PolarHBondContact O-N 2.78Å
309Y92.2Very high93.5Very high23 Ų2324 Ų249%0.0910%0.104CC..Hα-helixtrans-63.1-43.2177.7-172-95.2000111.6P172 K173 P174 L272 F279 G305 I306 H307 H313P172-Y309 HydrophobicContact CB-CD1 4.34Å; P172-Y309 HydrophobicContact CB-CE1 3.68Å; K173-Y309 PolarHBondContact O-OH 3.21Å; K173-Y309 VanDerWaalsContact O-OH 3.11Å; P174-Y309 PolarHBondContact O-OH 3.41Å; L272-Y309 HydrophobicContact CD2-CD2 4.16Å; L272-Y309 HydrophobicContact CD2-CG 4.43Å; F279-Y309 HydrophobicContact CD1-CD1 4.16Å; F279-Y309 HydrophobicContact CD1-CE1 4.03Å; F279-Y309 AromaticContact CD2-CD1 3.66Å; F279-Y309 HydrophobicContact CD2-CD1 3.66Å; F279-Y309 AromaticContact CD2-CE1 3.62Å; F279-Y309 HydrophobicContact CD2-CE1 3.62Å; F279-Y309 HydrophobicContact CD2-CG 4.21Å; F279-Y309 AromaticContact CE1-CD1 3.79Å; F279-Y309 HydrophobicContact CE1-CD1 3.79Å; F279-Y309 HydrophobicContact CE1-CE1 4.14Å; F279-Y309 AromaticContact CE2-CD1 3.23Å; F279-Y309 HydrophobicContact CE2-CD1 3.23Å; F279-Y309 HydrophobicContact CE2-CD2 4.41Å; F279-Y309 AromaticContact CE2-CE1 3.74Å; F279-Y309 HydrophobicContact CE2-CE1 3.74Å; F279-Y309 AromaticContact CE2-CG 3.61Å; F279-Y309 HydrophobicContact CE2-CG 3.61Å; F279-Y309 HydrophobicContact CG-CD1 4.1Å; F279-Y309 AromaticContact CG-CE1 3.78Å; F279-Y309 HydrophobicContact CG-CE1 3.78Å; F279-Y309 AromaticContact CZ-CD1 3.31Å; F279-Y309 HydrophobicContact CZ-CD1 3.31Å; F279-Y309 HydrophobicContact CZ-CE1 4Å; F279-Y309 AromaticContact CZ-CG 3.96Å; F279-Y309 HydrophobicContact CZ-CG 3.96Å; G305-Y309 VanDerWaalsContact O-CB 3.23Å; G305-Y309 WeakPolarHBondContact O-CB 3.44Å; G305-Y309 PolarHBondContact O-N 3.15Å; I306-Y309 PolarHBondContact O-N 3.01Å; H307-Y309 PolarHBondContact O-N 2.95Å; Y309-H313 WeakPolarHBondContact O-CB 3.3Å; Y309-H313 PolarHBondContact O-N 2.98Å
310E91Very high93.2Very high87 Ų8727.5 Ų27.541%0.40712%0.116SC..Hα-helixtrans-70.4-38.3178.8-68.6-171.8167.600112.3F279 I306 H307 H313 R314F279-E310 HydrophobicContact CE1-CG 4.08Å; F279-E310 HydrophobicContact CZ-CG 4.17Å; I306-E310 WeakPolarHBondContact O-CG 3.24Å; I306-E310 PolarHBondContact O-N 3.47Å; H307-E310 PolarHBondContact O-N 2.94Å; E310-H313 PolarHBondContact O-N 2.91Å; E310-R314 WeakPolarHBondContact O-CB 3.39Å; E310-R314 PolarHBondContact O-N 2.85Å
311R92.4Very high92.8Very high26 Ų2628.5 Ų28.510%0.09813%0.125CC..Hα-helixtrans-64.6-49.5173.3-164.1177.1-172.7-167.44.6111.4E193 V194 L196 H307 L308 H313 R314 I315E193-R311 VanDerWaalsContact O-CZ 3.26Å; E193-R311 PolarHBondContact O-NH1 2.88Å; E193-R311 PolarHBondContact O-NH2 3.28Å; E193-R311 IonicContact OE1-NH2 3.88Å; E193-R311 PolarHBondContact OE1-NH2 2.7Å; V194-R311 VanDerWaalsContact C-NH1 3.33Å; V194-R311 PolarHBondContact O-NH1 2.86Å; L196-R311 PolarHBondContact O-NH1 3.35Å; H307-R311 WeakPolarHBondContact O-CB 3.47Å; H307-R311 PolarHBondContact O-N 2.96Å; L308-R311 PolarHBondContact O-N 3.01Å; R311-H313 VanDerWaalsContact C-N 3.31Å; R311-H313 PolarHBondContact O-N 3.04Å; R311-R314 WeakPolarHBondContact O-CB 3.45Å; R311-R314 PolarHBondContact O-N 2.88Å; R311-I315 HydrophobicContact CG-CD1 4.36Å; R311-I315 VanDerWaalsContact O-CG1 3.32Å; R311-I315 WeakPolarHBondContact O-CG1 3.48Å; R311-I315 PolarHBondContact O-N 2.79Å
312L92.8Very high92.6Very high2 Ų229.9 Ų29.91%0.0113%0.131CC..Hα-helixtrans-60.9-38.3175.4-75165.5000112.1W179 W183 M186 V194 L272 L308 I315 W316W179-L312 HydrophobicContact CB-CD1 4.31Å; W183-L312 HydrophobicContact CE3-CD2 4.14Å; M186-L312 HydrophobicContact CE-CD2 3.88Å; V194-L312 HydrophobicContact CG1-CD2 3.84Å; V194-L312 HydrophobicContact CG1-CG 4.1Å; L272-L312 HydrophobicContact CD1-CD1 3.92Å; L272-L312 HydrophobicContact CD2-CD1 4.34Å; L308-L312 VanDerWaalsContact O-CB 3.25Å; L308-L312 WeakPolarHBondContact O-CB 3.23Å; L308-L312 VanDerWaalsContact O-CG 3.3Å; L308-L312 WeakPolarHBondContact O-CG 3.23Å; L308-L312 PolarHBondContact O-N 2.78Å; L312-I315 PolarHBondContact O-N 2.71Å; L312-W316 WeakPolarHBondContact O-CB 3.37Å; L312-W316 PolarHBondContact O-N 3.39Å
313H88.8Confident92.5Very high19 Ų1930 Ų309%0.08813%0.131CC..Hα-helixtrans-70.4-36.7176.7-166.964.2000112.6Y309 E310 R311 W316 Q317Y309-H313 WeakPolarHBondContact O-CB 3.3Å; Y309-H313 PolarHBondContact O-N 2.98Å; E310-H313 PolarHBondContact O-N 2.91Å; R311-H313 VanDerWaalsContact C-N 3.31Å; R311-H313 PolarHBondContact O-N 3.04Å; H313-W316 AromaticContact CE1-CE3 3.86Å; H313-W316 PolarHBondContact O-N 3.29Å; H313-Q317 PolarHBondContact CD2-NE2 3.38Å; H313-Q317 PolarHBondContact NE2-NE2 2.94Å; H313-Q317 WeakPolarHBondContact O-CG 3.24Å; H313-Q317 PolarHBondContact O-N 3.38Å
314R90.1Very high92.2Very high116 Ų11631 Ų3144%0.43814%0.136SC..Hα-helixtrans-59.7-46.6171.1-174.5-176-63.11700.2110.8I26 D27 E310 R311 Q317 K318I26-R314 HydrophobicContact CG2-CG 3.96Å; D27-R314 WeakPolarHBondContact OD2-CD 3.17Å; D27-R314 IonicContact OD2-CZ 2.72Å; D27-R314 IonicContact OD2-NE 3.68Å; D27-R314 IonicContact OD2-NH1 2.86Å; D27-R314 PolarHBondContact OD2-NH1 2.98Å; E310-R314 WeakPolarHBondContact O-CB 3.39Å; E310-R314 PolarHBondContact O-N 2.85Å; R311-R314 WeakPolarHBondContact O-CB 3.45Å; R311-R314 PolarHBondContact O-N 2.88Å; R314-Q317 PolarHBondContact O-N 3.1Å; R314-K318 WeakPolarHBondContact O-CG 3.36Å; R314-K318 PolarHBondContact O-N 3.22Å
315I92.8Very high92.1Very high0 Ų031 Ų310%014%0.136CC..Hα-helixtrans-63.6-45.1176.8-60.6163.1000110.8L4 I26 L30 M32 V182 M186 V194 R311 L312 Q317 K318 L319L4-I315 HydrophobicContact CD1-CG2 3.55Å; I26-I315 HydrophobicContact CB-CG1 4.49Å; I26-I315 HydrophobicContact CD1-CB 4.33Å; I26-I315 HydrophobicContact CD1-CG1 3.93Å; I26-I315 HydrophobicContact CD1-CG2 4.15Å; I26-I315 HydrophobicContact CG1-CG1 4.07Å; I26-I315 HydrophobicContact CG2-CG1 3.59Å; L30-I315 HydrophobicContact CD2-CD1 4.34Å; M32-I315 HydrophobicContact CE-CD1 4.49Å; M32-I315 HydrophobicContact SD-CD1 4.45Å; M32-I315 HydrophobicContact SD-CG2 4.37Å; V182-I315 HydrophobicContact CG1-CG2 3.87Å; M186-I315 HydrophobicContact CE-CD1 4Å; M186-I315 HydrophobicContact CE-CG2 4.05Å; V194-I315 HydrophobicContact CG2-CD1 3.49Å; V194-I315 VanDerWaalsContact CG2-CD1 3.49Å; R311-I315 HydrophobicContact CG-CD1 4.36Å; R311-I315 VanDerWaalsContact O-CG1 3.32Å; R311-I315 WeakPolarHBondContact O-CG1 3.48Å; R311-I315 PolarHBondContact O-N 2.79Å; L312-I315 PolarHBondContact O-N 2.71Å; I315-Q317 VanDerWaalsContact C-N 3.34Å; I315-Q317 PolarHBondContact O-N 2.98Å; I315-K318 PolarHBondContact O-N 2.89Å; I315-L319 VanDerWaalsContact O-CB 3.24Å; I315-L319 WeakPolarHBondContact O-CB 3.36Å; I315-L319 PolarHBondContact O-N 3.21Å
316W91.1Very high92.1Very high33 Ų3331.1 Ų31.113%0.12514%0.136CC..Hα-helixtrans-55.3-46.4174.2-177.494.1000112V182 L312 H313 R320V182-W316 HydrophobicContact CG2-CB 3.59Å; V182-W316 HydrophobicContact CG2-CG 3.96Å; L312-W316 WeakPolarHBondContact O-CB 3.37Å; L312-W316 PolarHBondContact O-N 3.39Å; H313-W316 AromaticContact CE1-CE3 3.86Å; H313-W316 PolarHBondContact O-N 3.29Å; W316-R320 VanDerWaalsContact CE2-CD 3.49Å; W316-R320 WeakPolarHBondContact O-CB 3.32Å; W316-R320 WeakPolarHBondContact O-CG 3.37Å; W316-R320 PolarHBondContact O-N 3.27Å; W316-R320 VanDerWaalsContact O-N 3.1Å
317Q87.4Confident92Very high38 Ų3832.9 Ų32.918%0.17814%0.144CC..Hα-helixtrans-62.8-49.1178-73.5-175.424.900111.8T169 H313 R314 I315 R320 A321T169-Q317 PolarHBondContact O-NE2 3.35Å; T169-Q317 VanDerWaalsContact O-NE2 3.08Å; H313-Q317 PolarHBondContact CD2-NE2 3.38Å; H313-Q317 PolarHBondContact NE2-NE2 2.94Å; H313-Q317 WeakPolarHBondContact O-CG 3.24Å; H313-Q317 PolarHBondContact O-N 3.38Å; R314-Q317 PolarHBondContact O-N 3.1Å; I315-Q317 VanDerWaalsContact C-N 3.34Å; I315-Q317 PolarHBondContact O-N 2.98Å; Q317-R320 PolarHBondContact O-N 2.7Å; Q317-A321 VanDerWaalsContact O-CB 3.31Å; Q317-A321 WeakPolarHBondContact O-CB 3.47Å; Q317-A321 PolarHBondContact O-N 3.47Å
318K90.9Very high92Very high78 Ų7831.2 Ų31.234%0.33914%0.136SC..Hα-helixtrans-61.6-50.3179.9-70.1-68.7-172.676.90111.2L24 Y25 I26 R314 I315 R320 A321 E322L24-K318 HydrophobicContact CD1-CB 4.06Å; L24-K318 HydrophobicContact CD2-CB 4.39Å; L24-K318 HydrophobicContact CG-CB 4.29Å; Y25-K318 PolarHBondContact O-NZ 3.32Å; I26-K318 HydrophobicContact CD1-CB 4.16Å; I26-K318 HydrophobicContact CD1-CG 4.49Å; I26-K318 PolarHBondContact O-NZ 3.49Å; R314-K318 WeakPolarHBondContact O-CG 3.36Å; R314-K318 PolarHBondContact O-N 3.22Å; I315-K318 PolarHBondContact O-N 2.89Å; K318-R320 VanDerWaalsContact C-N 3.34Å; K318-R320 PolarHBondContact O-N 3.4Å; K318-A321 PolarHBondContact O-N 3.31Å; K318-A321 VanDerWaalsContact O-N 3.14Å; K318-E322 PolarHBondContact O-N 3.14Å
319L92.1Very high92Very high0 Ų031.2 Ų31.20%014%0.136CC..Hα-helixtrans-54.6-47.9178.3-17578.9000111.3M1 A2 L4 L24 M34 V182 L185 I315 E323M1-L319 HydrophobicContact CE-CD2 4.38Å; A2-L319 HydrophobicContact CB-CD1 4.33Å; L4-L319 HydrophobicContact CD1-CD1 4.36Å; L4-L319 HydrophobicContact CD2-CD1 3.81Å; L4-L319 HydrophobicContact CG-CD1 3.93Å; L24-L319 HydrophobicContact CD2-CB 4.14Å; L24-L319 HydrophobicContact CD2-CD1 4.09Å; M34-L319 HydrophobicContact CE-CD1 3.67Å; M34-L319 HydrophobicContact CE-CG 4.19Å; M34-L319 VanDerWaalsContact CE-O 3.23Å; M34-L319 WeakPolarHBondContact CE-O 3.38Å; M34-L319 HydrophobicContact CG-CD1 3.93Å; M34-L319 HydrophobicContact SD-CD1 3.96Å; V182-L319 HydrophobicContact CG1-CD2 4.27Å; L185-L319 HydrophobicContact CD1-CD2 4.32Å; I315-L319 VanDerWaalsContact O-CB 3.24Å; I315-L319 WeakPolarHBondContact O-CB 3.36Å; I315-L319 PolarHBondContact O-N 3.21Å; L319-E323 VanDerWaalsContact O-CB 3.23Å; L319-E323 WeakPolarHBondContact O-CB 3.29Å; L319-E323 PolarHBondContact O-N 2.79Å
320R90.1Very high92.1Very high88 Ų8830.1 Ų30.133%0.33213%0.132SC..Hα-helixtrans-71.1-31.4179.7-65.9-164.479.7103.113.3113.3M1 L164 W316 Q317 K318 Q324M1-R320 HydrophobicContact CE-CG 4.31Å; L164-R320 HydrophobicContact CD1-CB 4.21Å; L164-R320 WeakPolarHBondContact CD1-O 3.38Å; L164-R320 HydrophobicContact CD2-CB 4.37Å; W316-R320 VanDerWaalsContact CE2-CD 3.49Å; W316-R320 WeakPolarHBondContact O-CB 3.32Å; W316-R320 WeakPolarHBondContact O-CG 3.37Å; W316-R320 PolarHBondContact O-N 3.27Å; W316-R320 VanDerWaalsContact O-N 3.1Å; Q317-R320 PolarHBondContact O-N 2.7Å; K318-R320 VanDerWaalsContact C-N 3.34Å; K318-R320 PolarHBondContact O-N 3.4Å; R320-Q324 WeakPolarHBondContact O-CB 3.37Å; R320-Q324 PolarHBondContact O-N 2.89Å; R320-Q324 VanDerWaalsContact O-N 3.13Å
321A90.3Very high92.3Very high22 Ų2226.5 Ų26.518%0.18212%0.115CC..Hα-helixtrans-68.3-46.2177.700000111.9Q317 K318 T325Q317-A321 VanDerWaalsContact O-CB 3.31Å; Q317-A321 WeakPolarHBondContact O-CB 3.47Å; Q317-A321 PolarHBondContact O-N 3.47Å; K318-A321 PolarHBondContact O-N 3.31Å; K318-A321 VanDerWaalsContact O-N 3.14Å; A321-T325 WeakPolarHBondContact O-CB 3.42Å; A321-T325 PolarHBondContact O-N 2.84Å; A321-T325 VanDerWaalsContact O-N 3.1Å; A321-T325 PolarHBondContact O-OG1 2.99Å
322E93Very high92.4Very high33 Ų3325.3 Ų25.315%0.15411%0.111CC..Hα-helixtrans-78.6-27.2177.2-64.3-56.1150.600112.4I22 L24 M34 R98 K318 T325 W326I22-E322 HydrophobicContact CD1-CB 4.3Å; L24-E322 HydrophobicContact CD1-CB 3.92Å; L24-E322 HydrophobicContact CD1-CG 3.85Å; M34-E322 HydrophobicContact SD-CB 4.13Å; R98-E322 IonicContact CZ-OE1 2.75Å; R98-E322 IonicContact NH1-OE1 2.81Å; R98-E322 PolarHBondContact NH1-OE1 2.98Å; R98-E322 IonicContact NH1-OE2 3.76Å; K318-E322 PolarHBondContact O-N 3.14Å; E322-T325 PolarHBondContact O-N 3.35Å; E322-W326 WeakPolarHBondContact O-CB 3.01Å; E322-W326 PolarHBondContact O-N 3.04Å
323E92.8Very high92.5Very high16 Ų1625.2 Ų25.28%0.07511%0.11CC..Hα-helixtrans-64.5-45.3172.5-179170.2-163.900111M1 A2 M34 F36 L319 T325 Q327M1-E323 WeakPolarHBondContact CA-OE1 3.39Å; M1-E323 WeakPolarHBondContact CA-OE2 3.32Å; M1-E323 WeakPolarHBondContact CB-OE2 3.3Å; M1-E323 WeakPolarHBondContact CG-OE2 3.3Å; A2-E323 HydrophobicContact CB-CG 4.5Å; A2-E323 PolarHBondContact N-OE1 3.27Å; A2-E323 VanDerWaalsContact N-OE1 3.17Å; A2-E323 PolarHBondContact N-OE2 3.48Å; M34-E323 HydrophobicContact CE-CB 3.63Å; F36-E323 HydrophobicContact CE1-CB 4.44Å; F36-E323 HydrophobicContact CE1-CG 4.46Å; L319-E323 VanDerWaalsContact O-CB 3.23Å; L319-E323 WeakPolarHBondContact O-CB 3.29Å; L319-E323 PolarHBondContact O-N 2.79Å; E323-T325 VanDerWaalsContact C-N 3.3Å; E323-T325 PolarHBondContact O-N 2.99Å; E323-Q327 HydrophobicContact CG-CG 4.39Å; E323-Q327 VanDerWaalsContact CG-NE2 3.34Å; E323-Q327 WeakPolarHBondContact O-CB 3.3Å; E323-Q327 WeakPolarHBondContact O-CG 3.46Å; E323-Q327 PolarHBondContact O-N 2.98Å; E323-Q327 PolarHBondContact OE1-NE2 3.25Å; E323-Q327 VanDerWaalsContact OE1-NE2 3.07Å
324Q92.4Very high92.8Very high21 Ų2124.3 Ų24.310%0.09811%0.106CC..Hα-helixtrans-64.3-36.4174.5-167.2-166.5-107.800111.5C92 I153 L164 R320 I328C92-Q324 PolarHBondContact SG-NE2 3.34Å; I153-Q324 HydrophobicContact CD1-CG 4.03Å; I153-Q324 HydrophobicContact CG1-CG 4.21Å; L164-Q324 HydrophobicContact CD1-CB 4.36Å; R320-Q324 WeakPolarHBondContact O-CB 3.37Å; R320-Q324 PolarHBondContact O-N 2.89Å; R320-Q324 VanDerWaalsContact O-N 3.13Å; Q324-I328 HydrophobicContact CG-CD1 4.12Å; Q324-I328 WeakPolarHBondContact O-CB 3.19Å; Q324-I328 WeakPolarHBondContact O-CD1 3.46Å; Q324-I328 WeakPolarHBondContact O-CG1 3.41Å; Q324-I328 PolarHBondContact O-N 2.98Å
325T94.7Very high93Very high0 Ų019.1 Ų19.10%09%0.087CC..Hα-helixtrans-67.5-47.6179.1-62.10000111.5S95 V96 L99 A321 E322 E323 I328 L329S95-T325 WeakPolarHBondContact CB-OG1 3.45Å; S95-T325 WeakPolarHBondContact O-CG2 3.43Å; V96-T325 HydrophobicContact CG2-CG2 3.92Å; L99-T325 HydrophobicContact CB-CG2 4.14Å; L99-T325 HydrophobicContact CD2-CG2 3.96Å; A321-T325 WeakPolarHBondContact O-CB 3.42Å; A321-T325 PolarHBondContact O-N 2.84Å; A321-T325 VanDerWaalsContact O-N 3.1Å; A321-T325 PolarHBondContact O-OG1 2.99Å; E322-T325 PolarHBondContact O-N 3.35Å; E323-T325 VanDerWaalsContact C-N 3.3Å; E323-T325 PolarHBondContact O-N 2.99Å; T325-I328 PolarHBondContact O-N 3.34Å; T325-L329 PolarHBondContact O-N 2.44Å
326W94.9Very high93.1Very high1 Ų119.6 Ų19.60%0.0049%0.091CC..Hα-helixtrans-61.3-46.7175.1-177.595.3000111.8F36 F40 L99 A110 E322 I328 L329 F330F36-W326 HydrophobicContact CB-CD2 4.35Å; F36-W326 HydrophobicContact CB-CE3 4.33Å; F36-W326 HydrophobicContact CB-CH2 4.01Å; F36-W326 HydrophobicContact CB-CZ2 3.98Å; F36-W326 HydrophobicContact CB-CZ3 4.18Å; F36-W326 HydrophobicContact CD1-CB 4.36Å; F36-W326 AromaticContact CD1-CD2 3.7Å; F36-W326 HydrophobicContact CD1-CD2 3.7Å; F36-W326 AromaticContact CD1-CE3 3.71Å; F36-W326 HydrophobicContact CD1-CE3 3.71Å; F36-W326 AromaticContact CD1-CG 4Å; F36-W326 HydrophobicContact CD1-CG 4Å; F36-W326 HydrophobicContact CD1-CZ3 4.32Å; F36-W326 AromaticContact CD2-CD1 3.57Å; F36-W326 AromaticContact CD2-CD2 3.68Å; F36-W326 HydrophobicContact CD2-CD2 3.68Å; F36-W326 AromaticContact CD2-CE2 3.49Å; F36-W326 VanDerWaalsContact CD2-CE2 3.49Å; F36-W326 HydrophobicContact CD2-CE3 4.41Å; F36-W326 AromaticContact CD2-CG 3.76Å; F36-W326 HydrophobicContact CD2-CG 3.76Å; F36-W326 HydrophobicContact CD2-CZ2 4.11Å; F36-W326 AromaticContact CD2-NE1 3.36Å; F36-W326 HydrophobicContact CE1-CB 3.64Å; F36-W326 AromaticContact CE1-CD2 3.9Å; F36-W326 HydrophobicContact CE1-CD2 3.9Å; F36-W326 HydrophobicContact CE1-CE3 4.16Å; F36-W326 AromaticContact CE1-CG 3.68Å; F36-W326 HydrophobicContact CE1-CG 3.68Å; F36-W326 HydrophobicContact CE2-CB 3.99Å; F36-W326 AromaticContact CE2-CD1 3.21Å; F36-W326 AromaticContact CE2-CD2 3.9Å; F36-W326 HydrophobicContact CE2-CD2 3.9Å; F36-W326 AromaticContact CE2-CE2 3.99Å; F36-W326 AromaticContact CE2-CG 3.44Å; F36-W326 HydrophobicContact CE2-CG 3.44Å; F36-W326 VanDerWaalsContact CE2-CG 3.44Å; F36-W326 AromaticContact CE2-NE1 3.53Å; F36-W326 AromaticContact CG-CD2 3.6Å; F36-W326 HydrophobicContact CG-CD2 3.6Å; F36-W326 AromaticContact CG-CE2 3.66Å; F36-W326 AromaticContact CG-CE3 3.87Å; F36-W326 HydrophobicContact CG-CE3 3.87Å; F36-W326 HydrophobicContact CG-CG 4.05Å; F36-W326 HydrophobicContact CG-CH2 4.31Å; F36-W326 HydrophobicContact CG-CZ2 4.03Å; F36-W326 HydrophobicContact CG-CZ3 4.22Å; F36-W326 HydrophobicContact CZ-CB 3.43Å; F36-W326 VanDerWaalsContact CZ-CB 3.43Å; F36-W326 AromaticContact CZ-CD1 3.63Å; F36-W326 HydrophobicContact CZ-CD2 4.01Å; F36-W326 AromaticContact CZ-CG 3.4Å; F36-W326 HydrophobicContact CZ-CG 3.4Å; F36-W326 VanDerWaalsContact CZ-CG 3.4Å; F40-W326 HydrophobicContact CD2-CH2 4.04Å; F40-W326 HydrophobicContact CD2-CZ3 4.35Å; F40-W326 AromaticContact CE2-CH2 3.76Å; F40-W326 HydrophobicContact CE2-CH2 3.76Å; F40-W326 AromaticContact CE2-CZ3 3.65Å; F40-W326 HydrophobicContact CE2-CZ3 3.65Å; F40-W326 HydrophobicContact CZ-CH2 4.4Å; F40-W326 AromaticContact CZ-CZ3 3.89Å; F40-W326 HydrophobicContact CZ-CZ3 3.89Å; L99-W326 HydrophobicContact CD2-CB 4.16Å; A110-W326 PolarHBondContact O-NE1 2.69Å; E322-W326 WeakPolarHBondContact O-CB 3.01Å; E322-W326 PolarHBondContact O-N 3.04Å; W326-I328 PolarHBondContact O-N 3.47Å; W326-L329 PolarHBondContact O-N 2.79Å; W326-F330 HydrophobicContact CD2-CB 4.42Å; W326-F330 HydrophobicContact CE3-CB 4.28Å; W326-F330 HydrophobicContact CH2-CB 4.2Å; W326-F330 HydrophobicContact CH2-CD1 4.03Å; W326-F330 AromaticContact CH2-CD2 3.89Å; W326-F330 HydrophobicContact CH2-CD2 3.89Å; W326-F330 HydrophobicContact CH2-CE1 4.35Å; W326-F330 HydrophobicContact CH2-CE2 4.23Å; W326-F330 AromaticContact CH2-CG 3.79Å; W326-F330 HydrophobicContact CH2-CG 3.79Å; W326-F330 HydrophobicContact CH2-CZ 4.45Å; W326-F330 HydrophobicContact CZ2-CB 4.36Å; W326-F330 AromaticContact CZ2-CD2 3.86Å; W326-F330 HydrophobicContact CZ2-CD2 3.86Å; W326-F330 HydrophobicContact CZ2-CE2 4.32Å; W326-F330 HydrophobicContact CZ2-CG 4.11Å; W326-F330 HydrophobicContact CZ3-CB 4.16Å; W326-F330 HydrophobicContact CZ3-CD1 4.22Å; W326-F330 HydrophobicContact CZ3-CG 4.12Å; W326-F330 VanDerWaalsContact O-CB 3.29Å; W326-F330 WeakPolarHBondContact O-CB 3.49Å; W326-F330 PolarHBondContact O-N 3.21Å
327Q92.9Very high93.4Very high52 Ų5218 Ų1824%0.2439%0.085CC..Hα-helixtrans-59.6-45.3179.1-75.3176.89.600111.8M149 E323 F330 H331M149-Q327 HydrophobicContact CE-CB 4.16Å; M149-Q327 WeakPolarHBondContact CE-O 3.39Å; M149-Q327 HydrophobicContact SD-CB 4.32Å; E323-Q327 HydrophobicContact CG-CG 4.39Å; E323-Q327 VanDerWaalsContact CG-NE2 3.34Å; E323-Q327 WeakPolarHBondContact O-CB 3.3Å; E323-Q327 WeakPolarHBondContact O-CG 3.46Å; E323-Q327 PolarHBondContact O-N 2.98Å; E323-Q327 PolarHBondContact OE1-NE2 3.25Å; E323-Q327 VanDerWaalsContact OE1-NE2 3.07Å; Q327-F330 PolarHBondContact O-N 2.58Å; Q327-H331 PolarHBondContact O-CD2 2.87Å; Q327-H331 PolarHBondContact O-N 3.4Å; Q327-H331 VanDerWaalsContact O-N 3.07Å
328I94.6Very high93.7Very high0 Ų017.9 Ų17.90%08%0.083CC..Hα-helixtrans-58.9-50.6174.9-68.2165.2000110L83 V87 C92 V96 M149 I153 Q324 T325 W326 F330 L332L83-I328 HydrophobicContact CD1-CG2 4.25Å; V87-I328 HydrophobicContact CG2-CG2 3.77Å; C92-I328 HydrophobicContact CB-CD1 3.94Å; V96-I328 HydrophobicContact CG2-CB 3.98Å; V96-I328 HydrophobicContact CG2-CG2 3.74Å; M149-I328 HydrophobicContact SD-CG1 3.84Å; I153-I328 HydrophobicContact CD1-CD1 3.81Å; I153-I328 HydrophobicContact CD1-CG1 4.2Å; Q324-I328 HydrophobicContact CG-CD1 4.12Å; Q324-I328 WeakPolarHBondContact O-CB 3.19Å; Q324-I328 WeakPolarHBondContact O-CD1 3.46Å; Q324-I328 WeakPolarHBondContact O-CG1 3.41Å; Q324-I328 PolarHBondContact O-N 2.98Å; T325-I328 PolarHBondContact O-N 3.34Å; W326-I328 PolarHBondContact O-N 3.47Å; I328-F330 PolarHBondContact O-N 3.36Å; I328-L332 WeakPolarHBondContact O-CB 3.28Å; I328-L332 PolarHBondContact O-N 3.13Å
329L95.5Very high93.8Very high1 Ų118.4 Ų18.41%0.0059%0.085CC..Hα-helixtrans-61.4-45-178.1178.851.8000112.2V79 V96 L99 F100 L111 T325 W326 G333V79-L329 HydrophobicContact CG1-CD1 4.31Å; V96-L329 HydrophobicContact CG1-CB 3.95Å; V96-L329 HydrophobicContact CG1-CD1 3.84Å; V96-L329 HydrophobicContact CG1-CG 4.32Å; V96-L329 HydrophobicContact CG2-CB 4.44Å; L99-L329 HydrophobicContact CB-CD2 4.25Å; L99-L329 HydrophobicContact CD2-CD2 3.92Å; L99-L329 HydrophobicContact CG-CD2 3.87Å; F100-L329 HydrophobicContact CB-CD1 4.33Å; F100-L329 HydrophobicContact CB-CD2 4.1Å; F100-L329 HydrophobicContact CD2-CD1 3.87Å; F100-L329 HydrophobicContact CD2-CD2 4.41Å; L111-L329 HydrophobicContact CD1-CD2 3.9Å; L111-L329 HydrophobicContact CD1-CG 4.27Å; L111-L329 HydrophobicContact CD2-CD2 4.1Å; L111-L329 HydrophobicContact CD2-CG 4.08Å; T325-L329 PolarHBondContact O-N 2.44Å; W326-L329 PolarHBondContact O-N 2.79Å; L329-G333 PolarHBondContact O-N 3.25Å
330F94.4Very high94Very high0 Ų019.2 Ų19.20%09%0.091CC..Hα-helixtrans-60.9-55.2-179.6-177.3-104.4000111.6F40 L111 P113 L114 L138 W326 Q327 I328 L332 G333 I334F40-F330 HydrophobicContact CB-CE1 4.4Å; F40-F330 HydrophobicContact CB-CZ 4.48Å; F40-F330 HydrophobicContact CD1-CE1 4.41Å; F40-F330 HydrophobicContact CG-CE1 4.33Å; L111-F330 HydrophobicContact CD2-CB 4.48Å; L111-F330 WeakPolarHBondContact O-CE2 3.47Å; P113-F330 HydrophobicContact CG-CZ 4.49Å; L114-F330 HydrophobicContact CD1-CD2 4.05Å; L114-F330 HydrophobicContact CD1-CE2 4.5Å; L114-F330 WeakPolarHBondContact CD1-O 3.38Å; L114-F330 HydrophobicContact CG-CD2 4.23Å; L114-F330 HydrophobicContact CG-CE2 4.21Å; L138-F330 HydrophobicContact CD1-CZ 4.43Å; W326-F330 HydrophobicContact CD2-CB 4.42Å; W326-F330 HydrophobicContact CE3-CB 4.28Å; W326-F330 HydrophobicContact CH2-CB 4.2Å; W326-F330 HydrophobicContact CH2-CD1 4.03Å; W326-F330 AromaticContact CH2-CD2 3.89Å; W326-F330 HydrophobicContact CH2-CD2 3.89Å; W326-F330 HydrophobicContact CH2-CE1 4.35Å; W326-F330 HydrophobicContact CH2-CE2 4.23Å; W326-F330 AromaticContact CH2-CG 3.79Å; W326-F330 HydrophobicContact CH2-CG 3.79Å; W326-F330 HydrophobicContact CH2-CZ 4.45Å; W326-F330 HydrophobicContact CZ2-CB 4.36Å; W326-F330 AromaticContact CZ2-CD2 3.86Å; W326-F330 HydrophobicContact CZ2-CD2 3.86Å; W326-F330 HydrophobicContact CZ2-CE2 4.32Å; W326-F330 HydrophobicContact CZ2-CG 4.11Å; W326-F330 HydrophobicContact CZ3-CB 4.16Å; W326-F330 HydrophobicContact CZ3-CD1 4.22Å; W326-F330 HydrophobicContact CZ3-CG 4.12Å; W326-F330 VanDerWaalsContact O-CB 3.29Å; W326-F330 WeakPolarHBondContact O-CB 3.49Å; W326-F330 PolarHBondContact O-N 3.21Å; Q327-F330 PolarHBondContact O-N 2.58Å; I328-F330 PolarHBondContact O-N 3.36Å; F330-L332 PolarHBondContact O-N 3.29Å; F330-G333 PolarHBondContact O-N 3.16Å; F330-I334 HydrophobicContact CD1-CD1 3.86Å; F330-I334 HydrophobicContact CE1-CD1 3.56Å; F330-I334 HydrophobicContact CG-CD1 4.47Å; F330-I334 HydrophobicContact CZ-CD1 3.94Å; F330-I334 WeakPolarHBondContact O-CG1 3.45Å; F330-I334 PolarHBondContact O-N 2.99Å
331H93.9Very high94.2Very high11 Ų1115 Ų155%0.0518%0.075CC..Hα-helixtrans-70-31.6-179.4-75-89.9000113.1H142 L146 M149 Q327 I334 D335H142-H331 PolarHBondContact O-CE1 3.46Å; H142-H331 PolarHBondContact O-ND1 3.21Å; L146-H331 HydrophobicContact CB-CB 4.14Å; L146-H331 HydrophobicContact CD1-CB 3.76Å; L146-H331 HydrophobicContact CG-CB 4.5Å; M149-H331 HydrophobicContact CE-CB 3.62Å; Q327-H331 PolarHBondContact O-CD2 2.87Å; Q327-H331 PolarHBondContact O-N 3.4Å; Q327-H331 VanDerWaalsContact O-N 3.07Å; H331-I334 PolarHBondContact O-N 2.85Å; H331-D335 PolarHBondContact O-N 2.84Å
332L95.1Very high94.3Very high0 Ų015.4 Ų15.40%07%0.073CC..Hα-helixtrans-64.8-42172.1-178.470000111.4V79 A82 L83 L86 L146 I328 F330 D335 A336V79-L332 HydrophobicContact CG1-CD2 4.12Å; A82-L332 HydrophobicContact CB-CD1 3.76Å; L83-L332 HydrophobicContact CB-CD2 3.66Å; L83-L332 HydrophobicContact CD1-CD2 3.87Å; L83-L332 HydrophobicContact CG-CD2 4.32Å; L86-L332 HydrophobicContact CD1-CD1 3.78Å; L146-L332 HydrophobicContact CD1-CB 4.45Å; L146-L332 HydrophobicContact CD2-CD1 4.19Å; I328-L332 WeakPolarHBondContact O-CB 3.28Å; I328-L332 PolarHBondContact O-N 3.13Å; F330-L332 PolarHBondContact O-N 3.29Å; L332-D335 PolarHBondContact O-N 3.4Å; L332-A336 WeakPolarHBondContact O-CB 3.43Å; L332-A336 PolarHBondContact O-N 3.3Å
333G95.4Very high94.2Very high0 Ų019 Ų190%09%0.091CC..Hα-helixtrans-60.1-45.1175.500000112.5L122 L329 F330 A336 L337L122-G333 VanDerWaalsContact CD2-CA 3.45Å; L329-G333 PolarHBondContact O-N 3.25Å; F330-G333 PolarHBondContact O-N 3.16Å; G333-A336 PolarHBondContact O-N 3.49Å; G333-L337 WeakPolarHBondContact O-CB 3.28Å; G333-L337 WeakPolarHBondContact O-CD1 3.49Å; G333-L337 VanDerWaalsContact O-CG 3.27Å; G333-L337 WeakPolarHBondContact O-CG 3.33Å; G333-L337 PolarHBondContact O-N 2.98Å
334I94.7Very high94.3Very high0 Ų019.3 Ų19.30%010%0.096CC..Hα-helixtrans-59.9-46.1174-65.8168.8000111.4L114 L138 F139 H142 F330 H331 L337 R338L114-I334 HydrophobicContact CD1-CG1 4.27Å; L114-I334 HydrophobicContact CD2-CG1 4.12Å; L138-I334 HydrophobicContact CD1-CD1 3.48Å; L138-I334 VanDerWaalsContact CD1-CD1 3.48Å; L138-I334 HydrophobicContact CD1-CG1 3.81Å; L138-I334 HydrophobicContact CG-CD1 4.08Å; L138-I334 HydrophobicContact CG-CG1 3.95Å; L138-I334 HydrophobicContact CG-CG2 4.24Å; L138-I334 WeakPolarHBondContact O-CG2 3.5Å; F139-I334 HydrophobicContact CD1-CG2 3.95Å; H142-I334 HydrophobicContact CB-CD1 4.37Å; F330-I334 HydrophobicContact CD1-CD1 3.86Å; F330-I334 HydrophobicContact CE1-CD1 3.56Å; F330-I334 HydrophobicContact CG-CD1 4.47Å; F330-I334 HydrophobicContact CZ-CD1 3.94Å; F330-I334 WeakPolarHBondContact O-CG1 3.45Å; F330-I334 PolarHBondContact O-N 2.99Å; H331-I334 PolarHBondContact O-N 2.85Å; I334-L337 PolarHBondContact O-N 2.97Å; I334-R338 WeakPolarHBondContact O-CB 3.38Å; I334-R338 PolarHBondContact O-N 2.84Å
335D94.3Very high94.2Very high7 Ų718.3 Ų18.34%0.0379%0.092CC..Hα-helixtrans-65.6-41.5179.1174.360.6000112.7L146 H331 L332 R338 K339L146-D335 HydrophobicContact CD2-CB 3.57Å; H331-D335 PolarHBondContact O-N 2.84Å; L332-D335 PolarHBondContact O-N 3.4Å; D335-R338 PolarHBondContact O-N 3.49Å; D335-R338 IonicContact OD1-CZ 2.69Å; D335-R338 IonicContact OD1-NE 3.1Å; D335-R338 IonicContact OD1-NH2 3.09Å; D335-R338 PolarHBondContact OD1-NH2 3.47Å; D335-K339 WeakPolarHBondContact O-CB 3.37Å; D335-K339 VanDerWaalsContact O-CG 3.32Å; D335-K339 WeakPolarHBondContact O-CG 3.47Å; D335-K339 PolarHBondContact O-N 3.28Å; D335-K339 WeakPolarHBondContact OD1-CE 3.38Å; D335-K339 IonicContact OD1-NZ 3.13Å; D335-K339 PolarHBondContact OD1-NZ 3Å; D335-K339 VanDerWaalsContact OD2-CE 3.3Å; D335-K339 WeakPolarHBondContact OD2-CE 3.32Å; D335-K339 IonicContact OD2-NZ 3.25Å; D335-K339 PolarHBondContact OD2-NZ 3.28Å
336A95.6Very high94Very high10 Ų1020.8 Ų20.88%0.08310%0.103CC..Hα-helixtrans-63.2-44.917600000111.8V74 L332 G333 K339 S340V74-A336 HydrophobicContact CG1-CB 4.43Å; V74-A336 HydrophobicContact CG2-CB 4.1Å; L332-A336 WeakPolarHBondContact O-CB 3.43Å; L332-A336 PolarHBondContact O-N 3.3Å; G333-A336 PolarHBondContact O-N 3.49Å; A336-K339 PolarHBondContact O-N 3.15Å; A336-S340 PolarHBondContact O-N 2.96Å
337L96.1Very high93.7Very high0 Ų029.5 Ų29.50%014%0.141CC..Hα-helixtrans-66.1-39.7176.3-72.5165.1000112.3F72 V74 L114 L122 V124 F139 G333 I334 S340 F341F72-L337 VanDerWaalsContact C-CD2 3.41Å; F72-L337 WeakPolarHBondContact O-CD2 3.42Å; V74-L337 HydrophobicContact CG1-CD2 4.32Å; V74-L337 HydrophobicContact CG2-CD2 4.09Å; V74-L337 HydrophobicContact CG2-CG 4.21Å; L114-L337 HydrophobicContact CD2-CD1 3.75Å; L122-L337 HydrophobicContact CG-CD1 4.31Å; V124-L337 HydrophobicContact CG2-CD1 3.85Å; F139-L337 HydrophobicContact CE1-CB 3.64Å; F139-L337 HydrophobicContact CZ-CB 4.22Å; G333-L337 WeakPolarHBondContact O-CB 3.28Å; G333-L337 WeakPolarHBondContact O-CD1 3.49Å; G333-L337 VanDerWaalsContact O-CG 3.27Å; G333-L337 WeakPolarHBondContact O-CG 3.33Å; G333-L337 PolarHBondContact O-N 2.98Å; I334-L337 PolarHBondContact O-N 2.97Å; L337-S340 PolarHBondContact O-N 3.03Å; L337-F341 PolarHBondContact O-N 2.9Å
338R94.5Very high93.5Very high36 Ų3630.4 Ų30.414%0.13615%0.146CC..Hα-helixtrans-57.9-50.6170.5175.8179.159.1-157-0.5110.7F139 Y140 G143 I334 D335 S340 F341 E342F139-R338 HydrophobicContact CB-CB 4.05Å; F139-R338 HydrophobicContact CB-CG 4.22Å; F139-R338 HydrophobicContact CD1-CB 3.92Å; F139-R338 HydrophobicContact CG-CB 4.15Å; F139-R338 WeakPolarHBondContact O-CD 3.39Å; F139-R338 PolarHBondContact O-NH1 2.96Å; Y140-R338 HydrophobicContact CE1-CG 4.38Å; G143-R338 VanDerWaalsContact O-CZ 3.31Å; G143-R338 PolarHBondContact O-NH1 2.9Å; G143-R338 PolarHBondContact O-NH2 2.94Å; I334-R338 WeakPolarHBondContact O-CB 3.38Å; I334-R338 PolarHBondContact O-N 2.84Å; D335-R338 PolarHBondContact O-N 3.49Å; D335-R338 IonicContact OD1-CZ 2.69Å; D335-R338 IonicContact OD1-NE 3.1Å; D335-R338 IonicContact OD1-NH2 3.09Å; D335-R338 PolarHBondContact OD1-NH2 3.47Å; R338-S340 VanDerWaalsContact C-N 3.33Å; R338-S340 PolarHBondContact O-N 2.85Å; R338-F341 WeakPolarHBondContact O-CB 3.23Å; R338-F341 PolarHBondContact O-N 2.87Å; R338-E342 HydrophobicContact CG-CG 4.24Å; R338-E342 VanDerWaalsContact O-CG 3.32Å; R338-E342 WeakPolarHBondContact O-CG 3.44Å; R338-E342 PolarHBondContact O-N 3.03Å
339K93.4Very high93.1Very high89 Ų8933.3 Ų33.339%0.38716%0.16SC..Hα-helixtrans-61.4-39.8-179.5-75.8166.6175.2167.60112.1D335 A336 E342 M343D335-K339 WeakPolarHBondContact O-CB 3.37Å; D335-K339 VanDerWaalsContact O-CG 3.32Å; D335-K339 WeakPolarHBondContact O-CG 3.47Å; D335-K339 PolarHBondContact O-N 3.28Å; D335-K339 WeakPolarHBondContact OD1-CE 3.38Å; D335-K339 IonicContact OD1-NZ 3.13Å; D335-K339 PolarHBondContact OD1-NZ 3Å; D335-K339 VanDerWaalsContact OD2-CE 3.3Å; D335-K339 WeakPolarHBondContact OD2-CE 3.32Å; D335-K339 IonicContact OD2-NZ 3.25Å; D335-K339 PolarHBondContact OD2-NZ 3.28Å; A336-K339 PolarHBondContact O-N 3.15Å; K339-E342 PolarHBondContact O-N 3.26Å; K339-M343 WeakPolarHBondContact O-CB 3.45Å; K339-M343 WeakPolarHBondContact O-CG 3.43Å; K339-M343 PolarHBondContact O-N 3.45Å
340S95.4Very high92.5Very high17 Ų1736.5 Ų36.512%0.11919%0.193CC..Hα-helixtrans-60.7-45174-171.20000111.8A71 M73 A336 L337 R338 M343 A344A71-S340 CarbonylContact O-C 3.59Å; A71-S340 VanDerWaalsContact O-CB 3.25Å; A71-S340 WeakPolarHBondContact O-CB 3.4Å; A71-S340 PolarHBondContact O-OG 2.99Å; M73-S340 PolarHBondContact O-OG 2.97Å; A336-S340 PolarHBondContact O-N 2.96Å; L337-S340 PolarHBondContact O-N 3.03Å; R338-S340 VanDerWaalsContact C-N 3.33Å; R338-S340 PolarHBondContact O-N 2.85Å; S340-M343 PolarHBondContact O-N 2.97Å; S340-A344 WeakPolarHBondContact O-CB 3.08Å; S340-A344 PolarHBondContact O-N 2.87Å
341F94.3Very high91.8Very high0 Ų040.8 Ų40.80%022%0.215CC..Hα-helixtrans-61.6-44.1172.4171.9-96.4000113.3F56 L63 L68 A71 F72 L337 R338 A344 V345F56-F341 AromaticContact CD2-CE1 3.65Å; F56-F341 HydrophobicContact CD2-CE1 3.65Å; F56-F341 AromaticContact CD2-CZ 3.87Å; F56-F341 HydrophobicContact CD2-CZ 3.87Å; F56-F341 HydrophobicContact CE2-CD1 4.22Å; F56-F341 AromaticContact CE2-CE1 3.57Å; F56-F341 HydrophobicContact CE2-CE1 3.57Å; F56-F341 HydrophobicContact CE2-CE2 4.35Å; F56-F341 AromaticContact CE2-CZ 3.64Å; F56-F341 HydrophobicContact CE2-CZ 3.64Å; L63-F341 HydrophobicContact CD1-CD2 4.13Å; L63-F341 HydrophobicContact CD1-CE2 3.84Å; L68-F341 HydrophobicContact CD2-CE2 4.19Å; A71-F341 HydrophobicContact CB-CB 4.34Å; A71-F341 HydrophobicContact CB-CD2 4.28Å; A71-F341 PolarHBondContact O-N 2.84Å; F72-F341 HydrophobicContact CD1-CB 4.11Å; F72-F341 HydrophobicContact CD1-CD2 4.44Å; F72-F341 HydrophobicContact CE1-CB 3.62Å; F72-F341 AromaticContact CE1-CD2 3.44Å; F72-F341 HydrophobicContact CE1-CD2 3.44Å; F72-F341 VanDerWaalsContact CE1-CD2 3.44Å; F72-F341 HydrophobicContact CE1-CE2 4.26Å; F72-F341 AromaticContact CE1-CG 3.66Å; F72-F341 HydrophobicContact CE1-CG 3.66Å; F72-F341 HydrophobicContact CE2-CD2 4.37Å; F72-F341 HydrophobicContact CZ-CB 4.47Å; F72-F341 AromaticContact CZ-CD2 3.4Å; F72-F341 HydrophobicContact CZ-CD2 3.4Å; F72-F341 VanDerWaalsContact CZ-CD2 3.4Å; F72-F341 AromaticContact CZ-CE2 3.82Å; F72-F341 HydrophobicContact CZ-CE2 3.82Å; F72-F341 HydrophobicContact CZ-CG 4.08Å; L337-F341 PolarHBondContact O-N 2.9Å; R338-F341 WeakPolarHBondContact O-CB 3.23Å; R338-F341 PolarHBondContact O-N 2.87Å; F341-A344 WeakPolarHBondContact O-CB 3.42Å; F341-A344 PolarHBondContact O-N 3.33Å; F341-V345 HydrophobicContact CD1-CG2 4.3Å; F341-V345 HydrophobicContact CD2-CG2 4.43Å; F341-V345 HydrophobicContact CE1-CG2 3.89Å; F341-V345 HydrophobicContact CE2-CG2 4.04Å; F341-V345 HydrophobicContact CZ-CG2 3.76Å; F341-V345 WeakPolarHBondContact O-CG2 3.38Å; F341-V345 PolarHBondContact O-N 3.21Å
342E92.1Very high91.3Very high30 Ų3041.7 Ų41.714%0.1422%0.223CC..Hα-helixtrans-67.2-39-179.1-65.9-173.114400111.9Y140 R338 K339 V345 E346 R353Y140-E342 WeakPolarHBondContact CE1-OE1 3.39Å; Y140-E342 PolarHBondContact OH-OE1 3.1Å; R338-E342 HydrophobicContact CG-CG 4.24Å; R338-E342 VanDerWaalsContact O-CG 3.32Å; R338-E342 WeakPolarHBondContact O-CG 3.44Å; R338-E342 PolarHBondContact O-N 3.03Å; K339-E342 PolarHBondContact O-N 3.26Å; E342-V345 PolarHBondContact O-N 3.46Å; E342-E346 WeakPolarHBondContact O-CG 3.45Å; E342-E346 PolarHBondContact O-N 3.42Å; E342-R353 VanDerWaalsContact CD-CZ 3.42Å; E342-R353 IonicContact OE1-CZ 3.21Å; E342-R353 IonicContact OE1-NH1 2.83Å; E342-R353 PolarHBondContact OE1-NH1 2.88Å; E342-R353 IonicContact OE1-NH2 2.75Å; E342-R353 PolarHBondContact OE1-NH2 3.17Å; E342-R353 IonicContact OE2-CZ 3.83Å; E342-R353 IonicContact OE2-NH1 3.03Å; E342-R353 PolarHBondContact OE2-NH1 2.93Å
343M92.3Very high90.4Very high108 Ų10845.6 Ų45.653%0.53224%0.237SC..Hα-helixtrans-64.6-36.5170.6-69.6-175.2-62.900112.7K339 S340 V345 K347K339-M343 WeakPolarHBondContact O-CB 3.45Å; K339-M343 WeakPolarHBondContact O-CG 3.43Å; K339-M343 PolarHBondContact O-N 3.45Å; S340-M343 PolarHBondContact O-N 2.97Å; M343-V345 VanDerWaalsContact C-N 3.34Å; M343-K347 VanDerWaalsContact O-CB 3.29Å; M343-K347 WeakPolarHBondContact O-CB 3.35Å; M343-K347 PolarHBondContact O-N 3.47Å
344A93.1Very high89.5Confident23 Ų2351.5 Ų51.519%0.1927%0.268CS..Hα-helixtrans-66.8-36.2174.900000112.1A71 S340 F341 M348A71-A344 HydrophobicContact CB-CB 3.74Å; S340-A344 WeakPolarHBondContact O-CB 3.08Å; S340-A344 PolarHBondContact O-N 2.87Å; F341-A344 WeakPolarHBondContact O-CB 3.42Å; F341-A344 PolarHBondContact O-N 3.33Å; A344-M348 WeakPolarHBondContact O-CB 3.31Å; A344-M348 PolarHBondContact O-N 2.87Å
345V91.3Very high88.7Confident0 Ų057 Ų570%029%0.294CS..Hα-helixtrans-66.9-47.7173.6168.80000111.2Y59 L63 F341 E342 M343 K347 M348 Q349Y59-V345 HydrophobicContact CD1-CG1 3.72Å; Y59-V345 HydrophobicContact CD2-CG1 3.74Å; Y59-V345 HydrophobicContact CE1-CG1 4Å; Y59-V345 HydrophobicContact CE2-CG1 4Å; Y59-V345 HydrophobicContact CG-CG1 3.6Å; Y59-V345 HydrophobicContact CG-CG2 4.24Å; L63-V345 HydrophobicContact CD1-CG2 3.9Å; F341-V345 HydrophobicContact CD1-CG2 4.3Å; F341-V345 HydrophobicContact CD2-CG2 4.43Å; F341-V345 HydrophobicContact CE1-CG2 3.89Å; F341-V345 HydrophobicContact CE2-CG2 4.04Å; F341-V345 HydrophobicContact CZ-CG2 3.76Å; F341-V345 WeakPolarHBondContact O-CG2 3.38Å; F341-V345 PolarHBondContact O-N 3.21Å; E342-V345 PolarHBondContact O-N 3.46Å; M343-V345 VanDerWaalsContact C-N 3.34Å; V345-K347 VanDerWaalsContact C-N 3.31Å; V345-K347 PolarHBondContact O-N 3.44Å; V345-M348 HydrophobicContact CG1-CE 4.31Å; V345-M348 PolarHBondContact O-N 2.88Å; V345-M348 VanDerWaalsContact O-N 3.09Å; V345-Q349 HydrophobicContact CG1-CG 4.46Å; V345-Q349 VanDerWaalsContact CG1-OE1 3.29Å; V345-Q349 WeakPolarHBondContact O-CG 3.43Å; V345-Q349 PolarHBondContact O-N 3.02Å
346E90.6Very high88Confident51 Ų5159.5 Ų59.524%0.23831%0.306CS..Hα-helixtrans-58-43.5175-71.4-178.3152.300111.7E342 M348 Q349 G350 I351 R353E342-E346 WeakPolarHBondContact O-CG 3.45Å; E342-E346 PolarHBondContact O-N 3.42Å; E346-M348 VanDerWaalsContact C-N 3.3Å; E346-M348 PolarHBondContact O-N 3.28Å; E346-Q349 PolarHBondContact O-N 3.04Å; E346-G350 PolarHBondContact O-N 3.45Å; E346-I351 PolarHBondContact O-N 3.02Å; E346-R353 HydrophobicContact CG-CG 4.15Å; E346-R353 VanDerWaalsContact OE1-CB 3.28Å; E346-R353 WeakPolarHBondContact OE1-CB 3.32Å; E346-R353 WeakPolarHBondContact OE1-CG 3.42Å; E346-R353 PolarHBondContact OE1-N 3.36Å
347K88.7Confident87.1Confident184 Ų18464.6 Ų64.680%0.833%0.326SS*.Hα-helixtrans-63.2-32.5175.5-174.1179.1179.4-177.30113.1M343 V345M343-K347 VanDerWaalsContact O-CB 3.29Å; M343-K347 WeakPolarHBondContact O-CB 3.35Å; M343-K347 PolarHBondContact O-N 3.47Å; V345-K347 VanDerWaalsContact C-N 3.31Å; V345-K347 PolarHBondContact O-N 3.44Å
348M87.9Confident86.4Confident71 Ų7168.7 Ų68.735%0.3535%0.351SS..Hα-helixtrans-76.9-36.3174.9173.1-84.5-62.800112.3K62 L63 A344 V345 E346 G350K62-M348 HydrophobicContact CB-CE 3.73Å; K62-M348 HydrophobicContact CB-SD 4Å; K62-M348 HydrophobicContact CD-CE 4.12Å; K62-M348 HydrophobicContact CD-SD 4.27Å; L63-M348 HydrophobicContact CD2-CB 3.76Å; L63-M348 HydrophobicContact CD2-CG 3.96Å; A344-M348 WeakPolarHBondContact O-CB 3.31Å; A344-M348 PolarHBondContact O-N 2.87Å; V345-M348 HydrophobicContact CG1-CE 4.31Å; V345-M348 PolarHBondContact O-N 2.88Å; V345-M348 VanDerWaalsContact O-N 3.09Å; E346-M348 VanDerWaalsContact C-N 3.3Å; E346-M348 PolarHBondContact O-N 3.28Å; M348-G350 VanDerWaalsContact C-N 3.3Å
349Q86Confident85.8Confident61 Ų6171.6 Ų71.629%0.28537%0.366SS..Hα-helixtrans-71.6-24.7173.4-69.7-178.5-97.300112.7V345 E346 I351V345-Q349 HydrophobicContact CG1-CG 4.46Å; V345-Q349 VanDerWaalsContact CG1-OE1 3.29Å; V345-Q349 WeakPolarHBondContact O-CG 3.43Å; V345-Q349 PolarHBondContact O-N 3.02Å; E346-Q349 PolarHBondContact O-N 3.04Å; Q349-I351 PolarHBondContact O-N 3.37Å
350G83.8Confident85.4Confident69 Ų6972.1 Ų72.171%0.71137%0.37SS*.THydrogen-bonded Turntrans74.19.4-175.700000114.1E346 M348E346-G350 PolarHBondContact O-N 3.45Å; M348-G350 VanDerWaalsContact C-N 3.3Å
351I80.1Confident84.8Confident90 Ų9075.2 Ų75.246%0.46239%0.385SS..SBendtrans-145131-176.5-55.3179.6000106.4E346 Q349 E355 Q356E346-I351 PolarHBondContact O-N 3.02Å; Q349-I351 PolarHBondContact O-N 3.37Å; I351-E355 HydrophobicContact CG2-CB 3.59Å; I351-Q356 HydrophobicContact CG2-CB 4.45Å
352S83.3Confident84.2Confident29 Ų2976.9 Ų76.920%0.20340%0.396CS..  trans-72.6158.5174.666.20000111.9L354 E355 Q356S352-L354 PolarHBondContact O-N 2.95Å; S352-E355 VanDerWaalsContact CB-OE2 3.28Å; S352-E355 WeakPolarHBondContact CB-OE2 3.26Å; S352-E355 PolarHBondContact N-OE2 3.18Å; S352-E355 PolarHBondContact O-N 3.08Å; S352-E355 VanDerWaalsContact O-N 3.08Å; S352-E355 VanDerWaalsContact OG-CD 3.26Å; S352-E355 WeakPolarHBondContact OG-CG 3.29Å; S352-E355 PolarHBondContact OG-N 3.2Å; S352-E355 PolarHBondContact OG-OE2 3.37Å; S352-Q356 PolarHBondContact O-N 3Å
353R75.7Confident84Confident83 Ų8380.5 Ų80.531%0.31341%0.413SS..Hα-helixtrans-58.7-31.5174.4-71.7172.1168.2-171.4-0.7112.5E342 E346 F357E342-R353 VanDerWaalsContact CD-CZ 3.42Å; E342-R353 IonicContact OE1-CZ 3.21Å; E342-R353 IonicContact OE1-NH1 2.83Å; E342-R353 PolarHBondContact OE1-NH1 2.88Å; E342-R353 IonicContact OE1-NH2 2.75Å; E342-R353 PolarHBondContact OE1-NH2 3.17Å; E342-R353 IonicContact OE2-CZ 3.83Å; E342-R353 IonicContact OE2-NH1 3.03Å; E342-R353 PolarHBondContact OE2-NH1 2.93Å; E346-R353 HydrophobicContact CG-CG 4.15Å; E346-R353 VanDerWaalsContact OE1-CB 3.28Å; E346-R353 WeakPolarHBondContact OE1-CB 3.32Å; E346-R353 WeakPolarHBondContact OE1-CG 3.42Å; E346-R353 PolarHBondContact OE1-N 3.36Å; R353-F357 VanDerWaalsContact O-CB 3.29Å; R353-F357 WeakPolarHBondContact O-CB 3.37Å; R353-F357 PolarHBondContact O-N 2.9Å
354L75.8Confident83.8Confident124 Ų12480 Ų8065%0.64941%0.409SS*.Hα-helixtrans-67.7-43.6175.418060.3000111.4S352 F357 V358S352-L354 PolarHBondContact O-N 2.95Å; L354-F357 PolarHBondContact O-N 3.3Å; L354-V358 WeakPolarHBondContact O-CB 3.44Å; L354-V358 VanDerWaalsContact O-CG2 3.27Å; L354-V358 WeakPolarHBondContact O-CG2 3.2Å; L354-V358 PolarHBondContact O-N 2.94Å
355E79.6Confident83.5Confident115 Ų11583.7 Ų83.754%0.53742%0.423SS..Hα-helixtrans-68.3-40.9176.2-70.7159.3136.900111.5I351 S352 F357 V358 E359I351-E355 HydrophobicContact CG2-CB 3.59Å; S352-E355 VanDerWaalsContact CB-OE2 3.28Å; S352-E355 WeakPolarHBondContact CB-OE2 3.26Å; S352-E355 PolarHBondContact N-OE2 3.18Å; S352-E355 PolarHBondContact O-N 3.08Å; S352-E355 VanDerWaalsContact O-N 3.08Å; S352-E355 VanDerWaalsContact OG-CD 3.26Å; S352-E355 WeakPolarHBondContact OG-CG 3.29Å; S352-E355 PolarHBondContact OG-N 3.2Å; S352-E355 PolarHBondContact OG-OE2 3.37Å; E355-F357 PolarHBondContact O-N 2.76Å; E355-V358 PolarHBondContact O-N 3.07Å; E355-E359 PolarHBondContact O-N 3Å
356Q79.4Confident83.4Confident60 Ų6088.8 Ų88.828%0.2844%0.442SS..Hα-helixtrans-57.2-48.8172.4-174.4-174.4-35.500110.9I351 S352 V358 E359 E360I351-Q356 HydrophobicContact CG2-CB 4.45Å; S352-Q356 PolarHBondContact O-N 3Å; Q356-V358 VanDerWaalsContact C-N 3.35Å; Q356-V358 PolarHBondContact O-N 2.89Å; Q356-E359 PolarHBondContact O-N 2.87Å; Q356-E360 WeakPolarHBondContact CG-OE1 3.45Å; Q356-E360 PolarHBondContact NE2-OE1 3.05Å; Q356-E360 WeakPolarHBondContact O-CG 3.19Å; Q356-E360 PolarHBondContact O-N 3.24Å
357F75.6Confident83.4Confident116 Ų11688 Ų8851%0.50944%0.444SS..Hα-helixtrans-65.2-35.5178.5-178.2-112.3000113R353 L354 E355 E360 L361R353-F357 VanDerWaalsContact O-CB 3.29Å; R353-F357 WeakPolarHBondContact O-CB 3.37Å; R353-F357 PolarHBondContact O-N 2.9Å; L354-F357 PolarHBondContact O-N 3.3Å; E355-F357 PolarHBondContact O-N 2.76Å; F357-E360 PolarHBondContact O-N 2.77Å; F357-L361 HydrophobicContact CD1-CD1 4Å; F357-L361 HydrophobicContact CE1-CD1 3.55Å; F357-L361 HydrophobicContact CE1-CG 4.25Å; F357-L361 HydrophobicContact CE2-CD1 4.48Å; F357-L361 HydrophobicContact CE2-CG 4.33Å; F357-L361 HydrophobicContact CZ-CD1 3.82Å; F357-L361 HydrophobicContact CZ-CD2 4.3Å; F357-L361 HydrophobicContact CZ-CG 4.12Å; F357-L361 WeakPolarHBondContact O-CB 3.24Å; F357-L361 WeakPolarHBondContact O-CG 3.28Å; F357-L361 PolarHBondContact O-N 3.28Å
358V81Confident83.4Confident86 Ų8684.1 Ų84.152%0.52143%0.428SS..Hα-helixtrans-65.5-39.4173.5165.90000111.3L354 E355 Q356 S362L354-V358 WeakPolarHBondContact O-CB 3.44Å; L354-V358 VanDerWaalsContact O-CG2 3.27Å; L354-V358 WeakPolarHBondContact O-CG2 3.2Å; L354-V358 PolarHBondContact O-N 2.94Å; E355-V358 PolarHBondContact O-N 3.07Å; Q356-V358 VanDerWaalsContact C-N 3.35Å; Q356-V358 PolarHBondContact O-N 2.89Å; V358-S362 WeakPolarHBondContact O-CB 3.38Å; V358-S362 PolarHBondContact O-N 2.99Å
359E82.3Confident83.4Confident97 Ų9787.2 Ų87.245%0.45344%0.441SS..Hα-helixtrans-70.7-41.2175-166.158.3-110.800111.8E355 Q356 L361 S362 E363 R366E355-E359 PolarHBondContact O-N 3Å; Q356-E359 PolarHBondContact O-N 2.87Å; E359-L361 VanDerWaalsContact C-N 3.31Å; E359-L361 PolarHBondContact O-N 2.9Å; E359-S362 CarbonylContact O-C 3.55Å; E359-S362 WeakPolarHBondContact O-CA 3.27Å; E359-S362 VanDerWaalsContact O-CB 3.23Å; E359-S362 WeakPolarHBondContact O-CB 3.36Å; E359-S362 PolarHBondContact O-N 3.32Å; E359-S362 VanDerWaalsContact OE1-CB 3.31Å; E359-S362 WeakPolarHBondContact OE1-CB 3.43Å; E359-S362 PolarHBondContact OE1-OG 3.19Å; E359-E363 HydrophobicContact CG-CG 4.45Å; E359-E363 WeakPolarHBondContact O-CG 3.41Å; E359-E363 PolarHBondContact O-N 3.37Å; E359-R366 IonicContact OE1-CZ 3.79Å; E359-R366 IonicContact OE1-NH2 2.7Å; E359-R366 PolarHBondContact OE1-NH2 3.03Å
360E85.6Confident83.4Confident100 Ų10089.3 Ų89.347%0.46745%0.453SS..Hα-helixtrans-59.1-39.8174.1-74.8174.5-166.300112.3Q356 F357 E363 E364Q356-E360 WeakPolarHBondContact CG-OE1 3.45Å; Q356-E360 PolarHBondContact NE2-OE1 3.05Å; Q356-E360 WeakPolarHBondContact O-CG 3.19Å; Q356-E360 PolarHBondContact O-N 3.24Å; F357-E360 PolarHBondContact O-N 2.77Å; E360-E363 PolarHBondContact O-N 2.88Å; E360-E364 PolarHBondContact O-N 2.98Å
361L81.8Confident83.7Confident83 Ų8392.2 Ų92.244%0.43545%0.447SS..Hα-helixtrans-65.9-37.3171.9-73.5176000112.4F357 E359 E364 E365F357-L361 HydrophobicContact CD1-CD1 4Å; F357-L361 HydrophobicContact CE1-CD1 3.55Å; F357-L361 HydrophobicContact CE1-CG 4.25Å; F357-L361 HydrophobicContact CE2-CD1 4.48Å; F357-L361 HydrophobicContact CE2-CG 4.33Å; F357-L361 HydrophobicContact CZ-CD1 3.82Å; F357-L361 HydrophobicContact CZ-CD2 4.3Å; F357-L361 HydrophobicContact CZ-CG 4.12Å; F357-L361 WeakPolarHBondContact O-CB 3.24Å; F357-L361 WeakPolarHBondContact O-CG 3.28Å; F357-L361 PolarHBondContact O-N 3.28Å; E359-L361 VanDerWaalsContact C-N 3.31Å; E359-L361 PolarHBondContact O-N 2.9Å; L361-E364 PolarHBondContact O-N 3.15Å; L361-E365 VanDerWaalsContact O-CB 3.29Å; L361-E365 WeakPolarHBondContact O-CB 3.45Å; L361-E365 PolarHBondContact O-N 3.18Å
362S83.4Confident84Confident35 Ų3593.1 Ų93.125%0.24545%0.45CS..Hα-helixtrans-62.8-45.9172.5145.80000111.5V358 E359 E364 E365 R366V358-S362 WeakPolarHBondContact O-CB 3.38Å; V358-S362 PolarHBondContact O-N 2.99Å; E359-S362 CarbonylContact O-C 3.55Å; E359-S362 WeakPolarHBondContact O-CA 3.27Å; E359-S362 VanDerWaalsContact O-CB 3.23Å; E359-S362 WeakPolarHBondContact O-CB 3.36Å; E359-S362 PolarHBondContact O-N 3.32Å; E359-S362 VanDerWaalsContact OE1-CB 3.31Å; E359-S362 WeakPolarHBondContact OE1-CB 3.43Å; E359-S362 PolarHBondContact OE1-OG 3.19Å; S362-E364 PolarHBondContact O-N 2.95Å; S362-E365 PolarHBondContact O-N 3.28Å; S362-R366 WeakPolarHBondContact O-CB 3.36Å; S362-R366 VanDerWaalsContact O-CG 3.27Å; S362-R366 WeakPolarHBondContact O-CG 3.43Å; S362-R366 PolarHBondContact O-N 3.13Å; S362-R366 PolarHBondContact OG-NE 2.76Å; S362-R366 VanDerWaalsContact OG-NE 3.08Å; S362-R366 PolarHBondContact OG-NH2 3.28Å
363E87.2Confident84.2Confident106 Ų10695 Ų9550%0.49546%0.456SS..Hα-helixtrans-59.4-44.6175-65-100.8108.500111E359 E360 R366 A367E359-E363 HydrophobicContact CG-CG 4.45Å; E359-E363 WeakPolarHBondContact O-CG 3.41Å; E359-E363 PolarHBondContact O-N 3.37Å; E360-E363 PolarHBondContact O-N 2.88Å; E363-R366 PolarHBondContact O-N 3.11Å; E363-R366 IonicContact OE1-CZ 3.14Å; E363-R366 IonicContact OE1-NH1 2.96Å; E363-R366 PolarHBondContact OE1-NH1 3.13Å; E363-R366 IonicContact OE1-NH2 2.71Å; E363-R366 PolarHBondContact OE1-NH2 3.35Å; E363-A367 VanDerWaalsContact O-CB 3.22Å; E363-A367 WeakPolarHBondContact O-CB 3.43Å; E363-A367 PolarHBondContact O-N 3.12Å
364E87.6Confident84.7Confident96 Ų9697.5 Ų97.545%0.44947%0.469SS..Hα-helixtrans-69.3-37.2179.3-143.4-140.7151.600112.1E360 L361 S362 A367 K368E360-E364 PolarHBondContact O-N 2.98Å; L361-E364 PolarHBondContact O-N 3.15Å; S362-E364 PolarHBondContact O-N 2.95Å; E364-A367 PolarHBondContact O-N 3.29Å; E364-K368 WeakPolarHBondContact O-CB 3.47Å; E364-K368 WeakPolarHBondContact O-CD 3.25Å; E364-K368 WeakPolarHBondContact O-CG 3.3Å; E364-K368 PolarHBondContact O-N 2.9Å; E364-K368 WeakPolarHBondContact OE1-CE 3.47Å; E364-K368 IonicContact OE1-NZ 3.32Å; E364-K368 PolarHBondContact OE1-NZ 3.3Å; E364-K368 WeakPolarHBondContact OE2-CE 3.16Å; E364-K368 IonicContact OE2-NZ 3.3Å; E364-K368 PolarHBondContact OE2-NZ 2.98Å
365E87.9Confident85.2Confident102 Ų10297.7 Ų97.748%0.47746%0.464SS..Hα-helixtrans-62.6-52.1172.5-174.1154.9-131.800110.4L361 S362 A367 K368 E369 K651L361-E365 VanDerWaalsContact O-CB 3.29Å; L361-E365 WeakPolarHBondContact O-CB 3.45Å; L361-E365 PolarHBondContact O-N 3.18Å; S362-E365 PolarHBondContact O-N 3.28Å; E365-A367 VanDerWaalsContact C-N 3.3Å; E365-A367 PolarHBondContact O-N 3.46Å; E365-K368 WeakPolarHBondContact O-CB 3.22Å; E365-K368 PolarHBondContact O-N 2.93Å; E365-K368 VanDerWaalsContact O-N 3.09Å; E365-E369 PolarHBondContact O-N 2.71Å; E365-K651 IonicContact OE2-NZ 3.89Å; E365-K651 PolarHBondContact OE2-NZ 2.92Å
366R88.6Confident85.6Confident107 Ų107100 Ų10040%0.40447%0.468SS..Hα-helixtrans-55.5-41.9172.8-72.6-175.9-83120.1-21112.1E359 S362 E363 E369 L370E359-R366 IonicContact OE1-CZ 3.79Å; E359-R366 IonicContact OE1-NH2 2.7Å; E359-R366 PolarHBondContact OE1-NH2 3.03Å; S362-R366 WeakPolarHBondContact O-CB 3.36Å; S362-R366 VanDerWaalsContact O-CG 3.27Å; S362-R366 WeakPolarHBondContact O-CG 3.43Å; S362-R366 PolarHBondContact O-N 3.13Å; S362-R366 PolarHBondContact OG-NE 2.76Å; S362-R366 VanDerWaalsContact OG-NE 3.08Å; S362-R366 PolarHBondContact OG-NH2 3.28Å; E363-R366 PolarHBondContact O-N 3.11Å; E363-R366 IonicContact OE1-CZ 3.14Å; E363-R366 IonicContact OE1-NH1 2.96Å; E363-R366 PolarHBondContact OE1-NH1 3.13Å; E363-R366 IonicContact OE1-NH2 2.71Å; E363-R366 PolarHBondContact OE1-NH2 3.35Å; R366-E369 PolarHBondContact O-N 2.93Å; R366-L370 WeakPolarHBondContact O-CB 3.5Å; R366-L370 WeakPolarHBondContact O-CG 3.47Å; R366-L370 PolarHBondContact O-N 3.18Å
367A89.6Confident85.7Confident35 Ų35101.9 Ų101.929%0.28948%0.477SS..Hα-helixtrans-68.8-35.8177.500000112.9E363 E364 E365 K371E363-A367 VanDerWaalsContact O-CB 3.22Å; E363-A367 WeakPolarHBondContact O-CB 3.43Å; E363-A367 PolarHBondContact O-N 3.12Å; E364-A367 PolarHBondContact O-N 3.29Å; E365-A367 VanDerWaalsContact C-N 3.3Å; E365-A367 PolarHBondContact O-N 3.46Å; A367-K371 WeakPolarHBondContact O-CB 3.39Å; A367-K371 VanDerWaalsContact O-CD 3.32Å; A367-K371 WeakPolarHBondContact O-CD 3.45Å; A367-K371 WeakPolarHBondContact O-CG 3.18Å; A367-K371 PolarHBondContact O-N 3.24Å
368K89.6Confident86.2Confident102 Ų102103.7 Ų103.744%0.44349%0.485SS..Hα-helixtrans-65.2-44.3172.5-75.3159.9-175.7161.70110.9E364 E365 K371 M372E364-K368 WeakPolarHBondContact O-CB 3.47Å; E364-K368 WeakPolarHBondContact O-CD 3.25Å; E364-K368 WeakPolarHBondContact O-CG 3.3Å; E364-K368 PolarHBondContact O-N 2.9Å; E364-K368 WeakPolarHBondContact OE1-CE 3.47Å; E364-K368 IonicContact OE1-NZ 3.32Å; E364-K368 PolarHBondContact OE1-NZ 3.3Å; E364-K368 WeakPolarHBondContact OE2-CE 3.16Å; E364-K368 IonicContact OE2-NZ 3.3Å; E364-K368 PolarHBondContact OE2-NZ 2.98Å; E365-K368 WeakPolarHBondContact O-CB 3.22Å; E365-K368 PolarHBondContact O-N 2.93Å; E365-K368 VanDerWaalsContact O-N 3.09Å; K368-K371 PolarHBondContact O-N 3.05Å; K368-M372 VanDerWaalsContact O-CG 3.32Å; K368-M372 WeakPolarHBondContact O-CG 3.28Å; K368-M372 PolarHBondContact O-N 2.93Å
369E87.1Confident86.2Confident136 Ų136108.6 Ų108.664%0.63649%0.494SS*.Hα-helixtrans-61.1-49.9175.3-68.8-156.5127.900112.1E365 R366 K371 M372 E373E365-E369 PolarHBondContact O-N 2.71Å; R366-E369 PolarHBondContact O-N 2.93Å; E369-K371 VanDerWaalsContact C-N 3.27Å; E369-K371 PolarHBondContact O-N 3.35Å; E369-M372 CarbonylContact O-C 3.59Å; E369-M372 WeakPolarHBondContact O-CA 3.26Å; E369-M372 WeakPolarHBondContact O-CB 3.48Å; E369-M372 PolarHBondContact O-N 3.26Å; E369-E373 PolarHBondContact O-N 2.97Å
370L87.4Confident86.3Confident104 Ų104110.9 Ų110.955%0.54550%0.502SS..Hα-helixtrans-59.9-36.2176.9-72.1170.2000112.4R366 K374R366-L370 WeakPolarHBondContact O-CB 3.5Å; R366-L370 WeakPolarHBondContact O-CG 3.47Å; R366-L370 PolarHBondContact O-N 3.18Å; L370-K374 VanDerWaalsContact O-CB 3.29Å; L370-K374 WeakPolarHBondContact O-CB 3.15Å; L370-K374 WeakPolarHBondContact O-CG 3.22Å; L370-K374 PolarHBondContact O-N 3.49Å
371K89.6Confident85.9Confident131 Ų131110.8 Ų110.857%0.5751%0.505SS*.Hα-helixtrans-66.3-36.1172-73.9163.6-173.3168.70111.7A367 K368 E369 K375A367-K371 WeakPolarHBondContact O-CB 3.39Å; A367-K371 VanDerWaalsContact O-CD 3.32Å; A367-K371 WeakPolarHBondContact O-CD 3.45Å; A367-K371 WeakPolarHBondContact O-CG 3.18Å; A367-K371 PolarHBondContact O-N 3.24Å; K368-K371 PolarHBondContact O-N 3.05Å; E369-K371 VanDerWaalsContact C-N 3.27Å; E369-K371 PolarHBondContact O-N 3.35Å; K371-K375 VanDerWaalsContact O-CG 3.26Å; K371-K375 WeakPolarHBondContact O-CG 3.22Å; K371-K375 PolarHBondContact O-N 3.5Å
372M86Confident85.7Confident108 Ų108117 Ų11753%0.53252%0.523SS..Hα-helixtrans-75.2-38.7177.8-72.9-69.3-84.800112.9K368 E369 K375 R376K368-M372 VanDerWaalsContact O-CG 3.32Å; K368-M372 WeakPolarHBondContact O-CG 3.28Å; K368-M372 PolarHBondContact O-N 2.93Å; E369-M372 CarbonylContact O-C 3.59Å; E369-M372 WeakPolarHBondContact O-CA 3.26Å; E369-M372 WeakPolarHBondContact O-CB 3.48Å; E369-M372 PolarHBondContact O-N 3.26Å; M372-K375 WeakPolarHBondContact O-CB 2.84Å; M372-K375 PolarHBondContact O-N 3.35Å; M372-K375 HydrophobicContact SD-CD 4.17Å; M372-R376 WeakPolarHBondContact O-CG 3.48Å; M372-R376 PolarHBondContact O-N 3.48Å
373E86.6Confident85.3Confident70 Ų70125.1 Ų125.133%0.32755%0.548SS..Hα-helixtrans-71.6-40.5176.7-174.150-142.900111.2E369 K375 R376 Q377E369-E373 PolarHBondContact O-N 2.97Å; E373-K375 PolarHBondContact O-N 3.31Å; E373-R376 WeakPolarHBondContact O-CA 3.47Å; E373-R376 WeakPolarHBondContact O-CB 3.49Å; E373-R376 PolarHBondContact O-N 3.49Å; E373-R376 WeakPolarHBondContact OE2-CD 3.49Å; E373-R376 IonicContact OE2-NH1 2.7Å; E373-R376 PolarHBondContact OE2-NH1 3Å; E373-Q377 WeakPolarHBondContact O-CG 3.44Å; E373-Q377 PolarHBondContact O-N 3.11Å; E373-Q377 VanDerWaalsContact OE1-CG 3.27Å; E373-Q377 WeakPolarHBondContact OE1-CG 3.28Å; E373-Q377 PolarHBondContact OE1-NE2 3.24Å
374K87.2Confident84.5Confident135 Ų135127.1 Ų127.159%0.58756%0.555SS**Hα-helixtrans-57.8-33168.4-73.2171.7-178.1177.80112.3L370 K378L370-K374 VanDerWaalsContact O-CB 3.29Å; L370-K374 WeakPolarHBondContact O-CB 3.15Å; L370-K374 WeakPolarHBondContact O-CG 3.22Å; L370-K374 PolarHBondContact O-N 3.49Å; K374-K378 WeakPolarHBondContact O-CB 3.44Å; K374-K378 WeakPolarHBondContact O-CG 3.47Å; K374-K378 PolarHBondContact O-N 3.08Å
375K87.3Confident83.3Confident127 Ų127129.5 Ų129.555%0.55257%0.571SS**Hα-helixtrans-70.5-40.1171.1-73.7167.3-176.7176.90112.5K371 M372 E373 R379K371-K375 VanDerWaalsContact O-CG 3.26Å; K371-K375 WeakPolarHBondContact O-CG 3.22Å; K371-K375 PolarHBondContact O-N 3.5Å; M372-K375 WeakPolarHBondContact O-CB 2.84Å; M372-K375 PolarHBondContact O-N 3.35Å; M372-K375 HydrophobicContact SD-CD 4.17Å; E373-K375 PolarHBondContact O-N 3.31Å; K375-R379 WeakPolarHBondContact O-CG 3.32Å; K375-R379 PolarHBondContact O-N 3.21Å; K375-R379 VanDerWaalsContact O-N 3.16Å
376R87.4Confident82.2Confident164 Ų164133.6 Ų133.662%0.61959%0.587SS**Hα-helixtrans-63.9-45.5175.4-74167.4169.11780.7111.9M372 E373 R379 K380M372-R376 WeakPolarHBondContact O-CG 3.48Å; M372-R376 PolarHBondContact O-N 3.48Å; E373-R376 WeakPolarHBondContact O-CA 3.47Å; E373-R376 WeakPolarHBondContact O-CB 3.49Å; E373-R376 PolarHBondContact O-N 3.49Å; E373-R376 WeakPolarHBondContact OE2-CD 3.49Å; E373-R376 IonicContact OE2-NH1 2.7Å; E373-R376 PolarHBondContact OE2-NH1 3Å; R376-R379 CarbonylContact O-C 3.54Å; R376-R379 WeakPolarHBondContact O-CA 3.4Å; R376-R379 WeakPolarHBondContact O-CB 3.24Å; R376-R379 PolarHBondContact O-N 3.36Å; R376-R379 VanDerWaalsContact O-N 3.11Å; R376-K380 PolarHBondContact O-N 2.93Å
377Q81.4Confident80.5Confident99 Ų99134 Ų13446%0.46361%0.605SS.*Hα-helixtrans-64.5-42.9178.5-67175.37.400112E373 R379 K380 N381E373-Q377 WeakPolarHBondContact O-CG 3.44Å; E373-Q377 PolarHBondContact O-N 3.11Å; E373-Q377 VanDerWaalsContact OE1-CG 3.27Å; E373-Q377 WeakPolarHBondContact OE1-CG 3.28Å; E373-Q377 PolarHBondContact OE1-NE2 3.24Å; Q377-R379 VanDerWaalsContact C-N 3.26Å; Q377-R379 PolarHBondContact O-N 2.97Å; Q377-K380 PolarHBondContact O-N 3.3Å; Q377-N381 PolarHBondContact O-N 3.12Å
378K85.3Confident78.6Confident155 Ų155135.8 Ų135.867%0.67463%0.627SS**Hα-helixtrans-58-35.7171.3-76.2-178.6178.1-171.20112.6K374 R382K374-K378 WeakPolarHBondContact O-CB 3.44Å; K374-K378 WeakPolarHBondContact O-CG 3.47Å; K374-K378 PolarHBondContact O-N 3.08Å; K378-R382 WeakPolarHBondContact O-CB 3.47Å; K378-R382 WeakPolarHBondContact O-CG 3.34Å; K378-R382 PolarHBondContact O-N 3.21Å
379R82.4Confident76.3Confident189 Ų189140.5 Ų140.571%0.71365%0.648SS**Hα-helixtrans-71-36.2172.3-70.7173.7176-171.4-1.7112.9K375 R376 Q377 R383K375-R379 WeakPolarHBondContact O-CG 3.32Å; K375-R379 PolarHBondContact O-N 3.21Å; K375-R379 VanDerWaalsContact O-N 3.16Å; R376-R379 CarbonylContact O-C 3.54Å; R376-R379 WeakPolarHBondContact O-CA 3.4Å; R376-R379 WeakPolarHBondContact O-CB 3.24Å; R376-R379 PolarHBondContact O-N 3.36Å; R376-R379 VanDerWaalsContact O-N 3.11Å; Q377-R379 VanDerWaalsContact C-N 3.26Å; Q377-R379 PolarHBondContact O-N 2.97Å; R379-R383 PolarHBondContact O-N 2.84Å
380K82.9Confident73.9Confident145 Ų145140.8 Ų140.863%0.6365%0.654SS**Hα-helixtrans-69-44178.6-163.4172.5-176.6177.50111.8R376 Q377 R383 K384R376-K380 PolarHBondContact O-N 2.93Å; Q377-K380 PolarHBondContact O-N 3.3Å; K380-R383 WeakPolarHBondContact O-CB 3.44Å; K380-R383 PolarHBondContact O-N 2.84Å; K380-R383 VanDerWaalsContact O-N 3.12Å; K380-K384 PolarHBondContact O-N 3.45Å; K380-K384 VanDerWaalsContact O-N 3.14Å
381N77.8Confident71.5Confident98 Ų98143.7 Ų143.752%0.52467%0.669SS.*Hα-helixtrans-67.8-39.8178.1-69.29.3000111.8Q377 R383 K384 N385Q377-N381 PolarHBondContact O-N 3.12Å; N381-R383 PolarHBondContact O-N 3.15Å; N381-R383 VanDerWaalsContact O-N 3.11Å; N381-K384 PolarHBondContact O-N 3.33Å; N381-K384 VanDerWaalsContact O-N 3.11Å; N381-N385 PolarHBondContact O-N 3.21Å; N381-N385 VanDerWaalsContact O-N 3.08Å; N381-N385 PolarHBondContact O-OD1 3.05Å
382R76.5Confident68.9Low212 Ų212142.4 Ų142.480%0.868%0.676SS**Hα-helixtrans-58.5-21.1171.1-79.8-176.3175.1-158.9-1.8114.4K378K378-R382 WeakPolarHBondContact O-CB 3.47Å; K378-R382 WeakPolarHBondContact O-CG 3.34Å; K378-R382 PolarHBondContact O-N 3.21Å
383R76.3Confident66.4Low206 Ų206146.1 Ų146.178%0.77769%0.692SS**Hα-helixtrans-86.3-39.3173-71.2177.6175.1-172.4-3.6112.4R379 K380 N381 K386R379-R383 PolarHBondContact O-N 2.84Å; K380-R383 WeakPolarHBondContact O-CB 3.44Å; K380-R383 PolarHBondContact O-N 2.84Å; K380-R383 VanDerWaalsContact O-N 3.12Å; N381-R383 PolarHBondContact O-N 3.15Å; N381-R383 VanDerWaalsContact O-N 3.11Å; R383-K386 PolarHBondContact O-N 2.82Å
384K71Confident63.8Low149 Ų149150.4 Ų150.465%0.64871%0.712SS**Hα-helixtrans-59.5-46.6175.3-76.1-165.9167.5-163.10111.9K380 N381 K386 C387K380-K384 PolarHBondContact O-N 3.45Å; K380-K384 VanDerWaalsContact O-N 3.14Å; N381-K384 PolarHBondContact O-N 3.33Å; N381-K384 VanDerWaalsContact O-N 3.11Å; K384-K386 PolarHBondContact O-N 2.82Å; K384-C387 PolarHBondContact O-N 3.43Å; K384-C387 VanDerWaalsContact O-N 3.11Å
385N61.2Low61.1Low146 Ų146151.6 Ų151.678%0.78172%0.72SS**THydrogen-bonded Turntrans-69.37.9179.2-66.245.7000114.5N381N381-N385 PolarHBondContact O-N 3.21Å; N381-N385 VanDerWaalsContact O-N 3.08Å; N381-N385 PolarHBondContact O-OD1 3.05Å
386K64.8Low58.5Low187 Ų187150.7 Ų150.781%0.81374%0.736SS**THydrogen-bonded Turntrans-115.87.7173.1-169.3161.4-178.8175.40112.9R383 K384R383-K386 PolarHBondContact O-N 2.82Å; K384-K386 PolarHBondContact O-N 2.82Å
387C52.1Low55.9Low117 Ų117150.7 Ų150.779%0.79174%0.743SS**SBendtrans-130.855.2-178.3-165.70000110.6K384K384-C387 PolarHBondContact O-N 3.43Å; K384-C387 VanDerWaalsContact O-N 3.11Å
388G50.8Low53.6Low72 Ų72151.3 Ų151.374%0.74275%0.75SS**  trans-162.554.6-171.900000112.5
389F40.9Very low51.3Low200 Ų200151.2 Ų151.288%0.87775%0.749SS**  trans-156.197.6167.9-157.6-84.4000110.3
390D36.7Very low49.2Very low143 Ų143147.9 Ų147.977%0.76574%0.742SS**  trans-169.6131.3151.6-114.3-30.3000109.4
391L37.4Very low47Very low165 Ų165149 Ų14986%0.86475%0.746SS**  trans55.2132169.7-62.3154.5000116.7
392S35.8Very low44.9Very low103 Ų103151.2 Ų151.272%0.7276%0.757SS**  cis-155.31689.848.80000107.6
393E31.5Very low42.9Very low186 Ų186148.1 Ų148.187%0.86976%0.756SS**  cis-152.717041.8-69.7-179.9120.800113.7
394Q32Very low40.7Very low161 Ų161144.8 Ų144.875%0.75275%0.753SS**  trans-77.1173166-70.5156.3-89.400110.7
395E32Very low38.9Very low160 Ų160146.7 Ų146.775%0.74876%0.764SS**  cis-162.3149.8-4.2-123.5154.3-143.600109
396A32Very low37.5Very low107 Ų107143.4 Ų143.488%0.88477%0.765SS**  trans-162.7127.5156.700000109.1
397E32.5Very low36Very low165 Ų165139.1 Ų139.177%0.77176%0.759SS**  trans-133.1151.7-165.4-156.5-163.4-150.400112.6
398N33.2Very low34.9Very low112 Ų112142.2 Ų142.260%0.59976%0.759SS**  trans69.2147.5169.1-70-61.4000116.6
399K36.6Very low34Very low152 Ų152145.2 Ų145.266%0.66176%0.758SS**  cis-155.7146.83.7-133.3160.4-167.7-113.90114.6
400E38.5Very low33.5Very low119 Ų119140 Ų14056%0.55675%0.746SS**  trans31.6144.9138.8-68.1-179122.300121.3
401K38.5Very low33.4Very low168 Ų168138.9 Ų138.973%0.7374%0.744SS**  cis-160.5-157.8-3.5-122.9169-174.8161.40107.5
402I33.7Very low33.2Very low146 Ų146140.1 Ų140.175%0.74975%0.746SS**  cis-148.7171.116.6-20.3168.5000109.3
403L34.1Very low33Very low147 Ų147138.5 Ų138.577%0.7775%0.745SS**  trans71.5156.3176.3-56.7178.9000114.6
404D29.6Very low32.9Very low135 Ų135135.9 Ų135.972%0.72275%0.747SS**  cis-135.9176.4-1.1-137.1-43.7000112.2
405E34.2Very low33.4Very low189 Ų189133.6 Ų133.688%0.88375%0.748SS**  trans-98.9176.5-172.9-58.7-165.1125.500115.1
406G30.7Very low33.9Very low77 Ų77135.2 Ų135.279%0.79475%0.753SS**  trans137.328.4135.700000121.7
407S33.5Very low34.1Very low98 Ų98134.8 Ų134.869%0.68575%0.749SS**  trans-30.1160172.1-153.40000121.4
408F29.5Very low34Very low182 Ų182133.3 Ų133.380%0.79876%0.755SS**  trans90.9113.7150.3-76.1-63.4000124.2
409D30.6Very low33.9Very low135 Ų135131.6 Ų131.672%0.72276%0.764SS**  76.1141.4122-124.4-33.9000125.8
410S31.9Very low33.6Very low90 Ų90130.3 Ų130.363%0.62978%0.775SS**  trans68.1124.7141.7-81.60000125.7
411V33.3Very low33.5Very low120 Ų120131.3 Ų131.373%0.72778%0.779SS**  77.3105.3127.7177.50000120.4
412E33.5Very low33.3Very low190 Ų190129.7 Ų129.789%0.88878%0.778SS**  50.5134.3122.5-158.9173.7-170.800122.2
413G31.5Very low33.6Very low69 Ų69129.6 Ų129.671%0.71178%0.775SS**  trans148.1115.5140.100000120.5
414S29.8Very low33.9Very low131 Ų131130.6 Ų130.692%0.91678%0.775SS**  trans82.7164.6144.3-149.50000121
415C41.5Very low34.2Very low114 Ų114132.8 Ų132.877%0.7778%0.781SS**  trans-153.3154.9-161.5167.20000111.2
416K42.7Very low34.1Very low194 Ų194128 Ų12884%0.84377%0.774SS**  trans-166.9128.5158.2-120.5172.8-175.1178.30116.3
417A36.2Very low33.8Very low97 Ų97127.9 Ų127.980%0.80277%0.773SS**  trans59.4157.7144.800000119
418C30.9Very low33.5Very low134 Ų134129.1 Ų129.191%0.90578%0.781SS**  cis-147.1-176.72.1520000109.8
419G30.5Very low33.4Very low76 Ų76129.6 Ų129.678%0.78479%0.785SS**  trans-164.2-170.1177.600000113.5
420S31.8Very low33.3Very low126 Ų126130.8 Ų130.888%0.88179%0.786SS**  trans-150.3157.2175.459.90000112.5
421H35.5Very low33.3Very low139 Ų139131.5 Ų131.564%0.64479%0.787SS**  trans-63.6167.7172.1-114-119.9000111.8E423H421-E423 IonicContact CE1-OE1 2.98Å; H421-E423 PolarHBondContact CE1-OE1 2.66Å; H421-E423 IonicContact ND1-OE1 3.96Å; H421-E423 PolarHBondContact ND1-OE1 3.2Å
422D34.6Very low33.5Very low135 Ų135131.7 Ų131.772%0.72279%0.788SS**  cis-147.8170.422.9-62.9-78.3000110.2
423E40.8Very low33.1Very low143 Ų143129.6 Ų129.667%0.66879%0.789SS**  cis-165.1172.3-24-103.9179.9166.500111.1H421H421-E423 IonicContact CE1-OE1 2.98Å; H421-E423 PolarHBondContact CE1-OE1 2.66Å; H421-E423 IonicContact ND1-OE1 3.96Å; H421-E423 PolarHBondContact ND1-OE1 3.2Å
424E38.7Very low33.1Very low169 Ų169132.7 Ų132.779%0.7979%0.794SS**  trans58.2116.8160.9-66.3-158.6152.400126.9
425E35.6Very low32.8Very low180 Ų180132.1 Ų132.184%0.84179%0.79SS**  trans65.9148.4134.3-63.2-130.3129.400123.6
426A32.8Very low32Very low88 Ų88137.1 Ų137.173%0.72779%0.793SS**  cis-171.9157.4-23.900000108.1
427G25.3Very low31.3Very low76 Ų76134.9 Ų134.978%0.78479%0.79SS**  cis-166.1175.7-0.900000111.4
428C26.4Very low30.8Very low124 Ų124134.6 Ų134.684%0.83879%0.787SS**  trans-70.8162-169.153.60000116.1
429E28Very low30.5Very low191 Ų191134.4 Ų134.489%0.89379%0.787SS**  cis92160.718.5-156.7166-122.800117.1
430E28Very low30.4Very low161 Ų161136 Ų13675%0.75279%0.785SS**  trans-94.3164.3-141-104.7-164.2116.500119.9
431T31.2Very low30.1Very low105 Ų105137.8 Ų137.864%0.64479%0.785SS**  trans75.4118.1140.253.50000125.6
432V38.5Very low29.6Very low124 Ų124136.9 Ų136.975%0.75279%0.793SS**  43127.4114.3-175.30000121.3
433T25.7Very low29.4Very low146 Ų146136 Ų13690%0.89680%0.797SS**  trans-144.8177.1148.236.10000112.2
434T29.9Very low28.7Very low133 Ų133135.8 Ų135.882%0.81680%0.801SS**  trans-127.9150.4-156.256.80000115.6
435S23.3Very low28.3Very low119 Ų119133.3 Ų133.383%0.83279%0.793SS**  trans-169.7159.6143.9-138.90000118.3
436R26.4Very low28.1Very low220 Ų220130.1 Ų130.183%0.8379%0.786SS**  trans-15.1137.8169.5-85.2170.9151.8168.1-7.7124.5
437N28.3Very low27.9Very low147 Ų147134.7 Ų134.779%0.78679%0.789SS**  57.6123.8128.4-68.930.1000124.5
438A24.9Very low28Very low91 Ų91141 Ų14175%0.75279%0.79SS**  trans93156.9131.100000121.5
439S25.1Very low27.9Very low129 Ų129142.5 Ų142.590%0.90279%0.789SS**  trans76.3157.8-18077.70000117.3
440C27.4Very low28Very low109 Ų109140.3 Ų140.374%0.73678%0.783SS**  trans-131.2157.5-169.354.30000110.8
441N25.5Very low27.9Very low164 Ų164136.9 Ų136.988%0.87778%0.777SS**  trans-167.5156.4134-101.5-21.5000111.7
442C26.2Very low27.9Very low120 Ų120140 Ų14081%0.81178%0.784SS**  trans-101.1158.5-178.9-55.20000111.5
443S28.8Very low27.4Very low116 Ų116141 Ų14181%0.81179%0.785SS**  trans-160.6108.8155-76.40000110.6
444D27.2Very low27.5Very low139 Ų139138.7 Ų138.774%0.74377%0.774SS**  33.9144.2118.5-76.428.4000120.4
445N29.3Very low27.4Very low118 Ų118139.7 Ų139.763%0.63178%0.775SS**  cis-162.2170.415.7-136-41.1000115.1
446T30.8Very low27.6Very low113 Ų113137.7 Ų137.769%0.69377%0.773SS**  trans60.8136.5154.947.60000119.6
447K29.4Very low27.9Very low184 Ų184133 Ų13380%0.877%0.774SS**  cis-139145.3-3.7-89.8154.2-177.5178.10106.1
448R27.5Very low28.1Very low208 Ų208133 Ų13379%0.78577%0.774SS**  54.5134.670.8-66.2-167.4-168.9-178.45.6112.7
449D24.7Very low28.4Very low155 Ų155139.6 Ų139.683%0.82978%0.781SS**  cis-116.3171.331.4-81.8-54.3000118.5
450L28.7Very low28.5Very low145 Ų145137 Ų13776%0.75977%0.774SS**  trans-101.5177177.9-59.5159.8000107.8
451S27.7Very low28.5Very low90 Ų90142 Ų14263%0.62978%0.779SS**  cis-159.1-179.5222.90000106.3
452H30.4Very low28.6Very low171 Ų171139.3 Ų139.379%0.79277%0.773SS**  cis-152138.533.1-117.4-75.3000113.6
453N27.2Very low28.7Very low144 Ų144138.8 Ų138.877%0.7777%0.771SS**  trans-64.9163.1153.9-68.2-8.7000108.9
454S28.6Very low28.6Very low97 Ų97139.2 Ų139.268%0.67877%0.774SS**  cis-169162.644.355.60000115.2
455N28.3Very low28.6Very low155 Ų155139.4 Ų139.483%0.82977%0.772SS**  trans39.6137144.9-54.311.1000119.5
456G26.7Very low28.8Very low77 Ų77142.3 Ų142.379%0.79478%0.782SS**  cis108.192.117.300000110.7
457S32.1Very low28.7Very low120 Ų120140.6 Ų140.684%0.83979%0.787SS**  trans-144.3130.617754.60000110.1
458D34.1Very low28.8Very low147 Ų147137.6 Ų137.679%0.78679%0.789SS**  trans-96.7-175170.3-155-24000109.4
459Y31.1Very low29Very low231 Ų231137.1 Ų137.191%0.90680%0.796SS**  trans72.3148.5-167.4-41.1-71.7000113.9
460G27.3Very low29.2Very low74 Ų74138.7 Ų138.776%0.76380%0.801SS**  cis-174.5147.5-3.700000112.6
461Y26.9Very low29.2Very low214 Ų214135.5 Ų135.584%0.83980%0.802SS**  trans-58.8132.4-174.3171.5-87.7000116
462S26.5Very low29.4Very low107 Ų107137.3 Ų137.375%0.74882%0.815SS**  trans179153.7133.3-78.60000113.4
463S29.4Very low29.5Very low109 Ų109140 Ų14076%0.76282%0.818SS**  trans-95.5156.6176.3-38.70000112.6
464S27.4Very low29.8Very low126 Ų126142.1 Ų142.188%0.88182%0.824SS**  trans-162.1-178.5142.1-148.50000113.3
465M25.5Very low29.8Very low142 Ų142140.8 Ų140.870%0.783%0.825SS**  trans-88.4160-162.9-65.1169.358.400116.2
466E33.8Very low30Very low179 Ų179138.6 Ų138.684%0.83682%0.822SS**  trans59130.3146.7-72.3167.816800120.7
467G28.6Very low30.2Very low78 Ų78142.8 Ų142.880%0.80483%0.826SS**  trans170.278.918000000111
468S32.6Very low30.4Very low120 Ų120142.8 Ų142.884%0.83982%0.82SS**  trans-73.9136.7-174.8-48.10000112.8
469E30.6Very low30.1Very low198 Ų198140.8 Ų140.893%0.92582%0.824SS**  trans-150.8167.1150.8-131.2166.9-143.400112.4
470M29.7Very low30Very low189 Ų189135.3 Ų135.393%0.93182%0.819SS**  trans-75.5145.1-158.157.3161.969.100115.7
471G28.6Very low30.3Very low77 Ų77136.8 Ų136.879%0.79482%0.817SS**  trans-128.2133.1164.400000110.1
472S32.3Very low30.8Very low129 Ų129135.9 Ų135.990%0.90282%0.821SS**  trans-75.8157.1-171.9-159.40000113.8
473R32.7Very low31.1Very low228 Ų228134.1 Ų134.186%0.8682%0.82SS**  trans-95.8124.3178.8168.6-170.2-179.5-177.71.3109.6
474E32.8Very low31.1Very low188 Ų188137.4 Ų137.488%0.87983%0.825SS**  trans-152.8156.5158.9-143.171.4-93.800109.9
475G29.6Very low31.2Very low68 Ų68136.8 Ų136.870%0.70182%0.819SS**  trans-69.6156.3-160.800000117.5
476S31.3Very low31.5Very low110 Ų110137.7 Ų137.777%0.76983%0.827SS**  trans-112.787.4172.260.90000110.7V478S476-V478 PolarHBondContact O-N 3.3Å
477D31.1Very low31.6Very low165 Ų165137.7 Ų137.788%0.88283%0.827SS**  trans-77117.2178.8-65.7-42.1000111.3
478V35.8Very low31.6Very low119 Ų119143.3 Ų143.372%0.72183%0.832SS**  trans-100.5104.7174.9179.20000108.6S476 C480S476-V478 PolarHBondContact O-N 3.3Å; V478-C480 PolarHBondContact O-N 2.75Å; V478-C480 VanDerWaalsContact O-N 3.11Å
479A28.3Very low31.6Very low105 Ų105143 Ų14387%0.86884%0.836SS**  trans-71.3101.7170.900000110
480C28.8Very low31.5Very low116 Ų116137.1 Ų137.178%0.78483%0.829SS**  trans-85.4115.5167.6-70.10000109.7V478V478-C480 PolarHBondContact O-N 2.75Å; V478-C480 VanDerWaalsContact O-N 3.11Å
481S34.7Very low31.4Very low105 Ų105135.1 Ų135.173%0.73482%0.822SS**  trans-75.1123.7162.252.30000109.7
482E36.6Very low31.5Very low196 Ų196141.4 Ų141.492%0.91682%0.823SS**  trans34.7129.7146-65.4155.4173.300119.5
483G31.9Very low31.7Very low70 Ų70140.3 Ų140.372%0.72281%0.814SS**  cis161.169.32.100000112.9
484M29.4Very low31.4Very low177 Ų177137.2 Ų137.287%0.87281%0.814SS**  trans-140.387180-76-93.273.900111.9
485C30.8Very low31.2Very low113 Ų113133.3 Ų133.376%0.76480%0.803SS**  trans-138115.3167-71.50000110
486N32.3Very low31.1Very low161 Ų161139.3 Ų139.386%0.86181%0.812SS**  trans-72.9131.2163.3-86.5-3.1000109.2
487H34.5Very low30.9Very low179 Ų179141.7 Ų141.783%0.82981%0.811SS**  trans-136.4140.8157.9-82.1-70.4000109.5
488E28.8Very low30.7Very low196 Ų196140 Ų14092%0.91681%0.811SS**  trans-76.2162.1-172-59.6-174.5125.400112.7
489A33.8Very low30.4Very low113 Ų113140.4 Ų140.493%0.93481%0.813SS**  trans-72.5135.8178.200000111.9
490G26.8Very low30.7Very low75 Ų75143.6 Ų143.677%0.77381%0.81SS**  trans-134.9144.6172.400000110.5
491D29Very low30.8Very low147 Ų147144 Ų14479%0.78680%0.804SS**  trans-86141.9-155.8-96.3-47000117.4
492Y29.6Very low30.8Very low209 Ų209146.1 Ų146.182%0.8280%0.8SS**  trans67.3164.4146.2-88.4-70.3000118.8
493P37.1Very low30.7Very low107 Ų107145.5 Ų145.570%0.69580%0.797SS**  -124-177.1-114.545-31.8000113.8
494N26.3Very low30.8Very low162 Ų162151.9 Ų151.987%0.86681%0.808SS**  trans-137.1151.5147.1-151.6-7.2000111.9
495V28.7Very low31Very low107 Ų107150.5 Ų150.565%0.64881%0.805SS**  trans-99.6142-167173.60000110.5
496H28Very low30.8Very low193 Ų193148.7 Ų148.789%0.89481%0.805SS**  trans-152.8136.4141-106.6-70.2000112.2
497H27.2Very low30.8Very low160 Ų160147 Ų14774%0.74180%0.8SS**  trans-64.7147.5175.5-93.3-34.1000112.7
498C26.1Very low30.5Very low130 Ų130146 Ų14688%0.87880%0.801SS**  trans-123150.6134.7-78.50000107.7
499V30.7Very low30.5Very low128 Ų128140.7 Ų140.778%0.77679%0.786SS**  trans-109.7141.9-172.6170.60000109.5
500E34.4Very low30.2Very low172 Ų172140.6 Ų140.680%0.80478%0.777SS**  trans-70.5154.1176.2-58.2167.312300111.6
501D30.5Very low30.2Very low123 Ų123143 Ų14366%0.65878%0.777SS**  -167121120.1-1087.9000115.1
502K34.1Very low30.1Very low150 Ų150142.7 Ų142.765%0.65278%0.775SS**  trans58.4107.3135.2-59.5179.9-176.772.90121.2
503E35.5Very low29.8Very low184 Ų184137 Ų13786%0.8677%0.765SS**  25.9134102.3-55.6176.8148.100119.5
504E33.7Very low29.3Very low203 Ų203142.7 Ų142.795%0.94977%0.773SS**  -153.5169.4105.1-140.1178.4175.100111.1
505D33.3Very low30.1Very low149 Ų149139.3 Ų139.380%0.79776%0.76SS**  trans-104.8173-168.7-170.612.2000112.5
506G27.5Very low29.8Very low74 Ų74141.7 Ų141.776%0.76376%0.763SS**  trans178.774.4178.900000117.4
507T32.1Very low29.8Very low126 Ų126138 Ų13877%0.77376%0.759SS**  trans-82.1149.2168.254.30000113.8
508D27.8Very low29.7Very low157 Ų157138.7 Ų138.784%0.8476%0.763SS**  145.9159.1119.5-164.129.9000116.4
509S27.5Very low29.6Very low86 Ų86140.3 Ų140.360%0.60176%0.757SS**  trans73.197148.4-175.90000122.8
510C27.5Very low29.3Very low110 Ų110140 Ų14074%0.74375%0.751SS**  48.6124.7116-58.10000123.8
511V27.3Very low28.9Very low127 Ų127137.4 Ų137.477%0.7775%0.753SS**  49.4122.1118.4-178.50000118.3
512D26.5Very low28.7Very low139 Ų139138.4 Ų138.474%0.74375%0.753SS**  -175169.572.4-142.4-24.6000116.5
513C24.8Very low28.3Very low91 Ų91137.7 Ų137.762%0.61577%0.765SS**  trans50.2103.6149.3-80.30000125.9
514W26.1Very low27.8Very low226 Ų226136.7 Ų136.786%0.85676%0.758SS**  59.3166.2112.5-76.353.1000122.2
515P42.6Very low27.5Very low91 Ų91132 Ų13259%0.59175%0.748SS**  cis-143.6-176.8-38.842.8-25.3000116.8
516H23.4Very low27.3Very low156 Ų156134.1 Ų134.172%0.72275%0.75SS**  trans64.1118152.7-76-69.8000124.7
517S26.8Very low27.2Very low117 Ų117140 Ų14082%0.81876%0.755SS**  173.2114.1126.132.20000108.2
518E24.6Very low27.1Very low174 Ų174144.3 Ų144.381%0.81376%0.763SS**  71.8121.167-73-155153.400117.4
519E24.9Very low27Very low163 Ų163145.2 Ų145.276%0.76276%0.759SS**  trans67.6108.8149.5-74.2-88.6114.200122
520N24.4Very low27Very low122 Ų122151.6 Ų151.665%0.65278%0.776SS**  77111.6118.5-169.26.8000120.8
521S26.8Very low27Very low118 Ų118155.6 Ų155.683%0.82578%0.781SS**  -151.5145.5129.453.20000112.7
522Q25.5Very low26.9Very low144 Ų144153.1 Ų153.167%0.67378%0.781SS**  trans-78.2145.7-180-58.4175.211.600111.9K524Q522-K524 VanDerWaalsContact OE1-CE 3.27Å
523C24.9Very low27Very low134 Ų134155.9 Ų155.991%0.90579%0.786SS**  trans-142139.7141.9-154.70000112.4
524K26.1Very low26.8Very low164 Ų164156.4 Ų156.471%0.71379%0.791SS**  trans-112.2142.6-171.7-64.6158.6179.2149.40109.5Q522Q522-K524 VanDerWaalsContact OE1-CE 3.27Å
525S27.6Very low26.7Very low105 Ų105151.3 Ų151.373%0.73479%0.789SS**  -176151.2129.450.20000116.9
526K28.2Very low25.8Very low192 Ų192153.3 Ų153.384%0.83579%0.794SS**  trans62.662142.5-68.9164.7-174.6173.50119.9K528K526-K528 PolarHBondContact O-N 3.38Å
527K26.7Very low26Very low199 Ų199151.4 Ų151.487%0.86579%0.789SS**  23.3102.7105.2-179-173.2-179179.20115.6
528K28.7Very low26Very low216 Ų216153.9 Ų153.994%0.93979%0.788SS**  trans-132.5121.9150.2-149.4170.4-171.1177.50109.6K526K526-K528 PolarHBondContact O-N 3.38Å
529K26.1Very low26.1Very low175 Ų175152 Ų15276%0.76178%0.779SS**  trans-113.6121.4-166.7-179.4179.4-176.7175.20109.2
530K28.2Very low26.5Very low220 Ų220150.4 Ų150.496%0.95778%0.783SS**  trans-120.7137.1159.3-134.4179.2-178.3-173.40107.1
531K26.6Very low26.6Very low194 Ų194151.8 Ų151.884%0.84378%0.783SS**  trans-133.4139.9-170.8-178.6-171.6176.7-170.90108.6
532G26Very low26.5Very low75 Ų75152 Ų15277%0.77378%0.78SS**  trans124.613018000000109.9
533K27.4Very low26.4Very low198 Ų198153.8 Ų153.886%0.86179%0.788SS**  cis-140.8139.74.4-165.8179.7179.9-171.20109.1
534S22.2Very low26.3Very low102 Ų102151.8 Ų151.871%0.71378%0.775SS**  trans-95.8140.3170159.50000108.4
535C23Very low26.1Very low119 Ų119150.5 Ų150.580%0.80479%0.785SS**  trans-130.7123.9152.4-68.60000106
536N23.8Very low26.1Very low132 Ų132151.8 Ų151.871%0.70679%0.788SS**  trans-138132.3168.3-165.585.7000104.7
537D27Very low26Very low117 Ų117148.2 Ų148.263%0.62679%0.788SS**  172.6140.3129.4-98.723.3000114.1
538Q27.8Very low26Very low168 Ų168146.5 Ų146.579%0.78579%0.788SS**  trans80.4125.5143.2-68.8168.651.300121.2
539E26.1Very low25.8Very low135 Ų135140 Ų14063%0.63178%0.782SS**  trans-62.9178.4155.2-50.4173.3112.800110.8K541E539-K541 WeakPolarHBondContact OE1-CE 3.32Å; E539-K541 IonicContact OE1-NZ 2.7Å; E539-K541 VanDerWaalsContact OE2-CE 3.22Å; E539-K541 WeakPolarHBondContact OE2-CE 3.43Å; E539-K541 IonicContact OE2-NZ 3.62Å
540P33Very low25.9Very low130 Ų130138.7 Ų138.784%0.84478%0.783SS**  -130.9160.197.337.7-31.6000114.5
541K27.1Very low25.8Very low150 Ų150133.7 Ų133.765%0.65277%0.772SS**  trans-94.9-165177.8-65.7-176.7-179.8172.90112E539E539-K541 WeakPolarHBondContact OE1-CE 3.32Å; E539-K541 IonicContact OE1-NZ 2.7Å; E539-K541 VanDerWaalsContact OE2-CE 3.22Å; E539-K541 WeakPolarHBondContact OE2-CE 3.43Å; E539-K541 IonicContact OE2-NZ 3.62Å
542T24.2Very low25.9Very low124 Ų124131.5 Ų131.576%0.76178%0.775SS**  trans77.6142.8169.215.90000114.5
543E23.5Very low25.8Very low180 Ų180131 Ų13184%0.84177%0.77SS**  cis-142.7173.413.9-160.4139.6-121.800114.5
544C22.7Very low25.9Very low93 Ų93130.9 Ų130.963%0.62877%0.772SS**  trans-98.3157.6-172.7178.10000112.5
545C23.3Very low26Very low137 Ų137133 Ų13393%0.92678%0.775SS**  trans-149.1129.5149.4-96.80000111.5
546T25.8Very low26.2Very low131 Ų131135.4 Ų135.480%0.80478%0.779SS**  trans-117.5149.2172.248.20000110.5
547S26.4Very low26.2Very low118 Ų118134.8 Ų134.883%0.82578%0.78SS**  trans-162140157.6-173.70000111.5
548D26.6Very low26.1Very low162 Ų162134.1 Ų134.187%0.86679%0.785SS**  trans-75.6166.3173.8-53.4-88.3000113.1
549G25.5Very low26.1Very low79 Ų79131 Ų13181%0.81479%0.788SS**  trans-165.39.9-175.900000120.1
550N28Very low26.1Very low148 Ų148130.4 Ų130.479%0.79180%0.798SS**  trans23.1137.5164.6-103.3-11.1000124.6
551T26.2Very low25.8Very low116 Ų116131 Ų13171%0.71280%0.8SS**  trans83.5138.9140.750.70000124.1
552T28.2Very low25.5Very low148 Ų148130 Ų13091%0.90881%0.81SS**  trans62.1117.2163.229.80000118.4
553G25.1Very low25.6Very low65 Ų65135.1 Ų135.167%0.6782%0.816SS**  cis135.6148.7-10.200000113.4
554H29.2Very low25.6Very low194 Ų194133.7 Ų133.790%0.89882%0.819SS**  trans-167.5124.1157.9-108.2-73.5000110.6
555N24.1Very low25.8Very low147 Ų147137.2 Ų137.279%0.78682%0.824SS**  trans-88.3149.5168.1-60.6-39.7000109.7
556L25.9Very low25.9Very low170 Ų170136.2 Ų136.289%0.8981%0.81SS**  -177.8168.4106.2-100.5151.3000112.7
557T24.8Very low25.9Very low119 Ų119136.7 Ų136.773%0.7381%0.806SS**  trans-130.8172.1-156.5-25.40000111.9
558S24.8Very low25.7Very low102 Ų102140.2 Ų140.271%0.71381%0.806SS**  trans66.6111.8149.258.80000120.5
559A27.9Very low25.5Very low104 Ų104137.6 Ų137.686%0.8680%0.801SS**  29125.7125.400000121.4
560S25.7Very low25.5Very low121 Ų121138.6 Ų138.685%0.84680%0.795SS**  trans-154.1145.414564.20000111.5
561T26.8Very low25.3Very low143 Ų143139.9 Ų139.988%0.87780%0.801SS**  trans-83.9155.6175.749.40000112.6
562C21Very low25.2Very low128 Ų128140.5 Ų140.587%0.86581%0.809SS**  trans-155.4155.3148.8-150.90000113
563R26.3Very low24.9Very low233 Ų233137.1 Ų137.188%0.87980%0.804SS**  trans-107.4148.2170.2-63.7172.7173.7170.5-3.6109.1
564T24.1Very low24.9Very low149 Ų149141.7 Ų141.791%0.91481%0.813SS**  trans-144161.1148.6-19.50000110.2
565K25.2Very low24.6Very low168 Ų168142 Ų14273%0.7381%0.811SS**  trans-147.1147.6-169.2-145.5-175.7172.2-89.10110.2
566D26.2Very low24.7Very low116 Ų116142.4 Ų142.462%0.6281%0.813SS**  trans50.7137.9159.9-50.3-35.5000120.7
567I25Very low24.6Very low141 Ų141138.4 Ų138.472%0.72380%0.804SS**  178.6145.4125.2-95.2159.1000111.4
568F23.5Very low24.6Very low191 Ų191139.4 Ų139.484%0.83881%0.805SS**  trans61.5111.6-175.8-53.2-54.7000115.7
569S22.3Very low24.6Very low107 Ų107142.6 Ų142.675%0.74881%0.813SS**  cis83.4120.211.9-154.70000118.3
570S24.1Very low24.5Very low100 Ų100142.5 Ų142.570%0.69981%0.812SS**  trans64.3117.3156.1690000121.6
571L24Very low24.6Very low176 Ų176144.9 Ų144.992%0.92181%0.814SS**  -145.3136.8115.4-143.679.6000109.6
572C24Very low24.7Very low128 Ų128149.3 Ų149.387%0.86582%0.815SS**  trans-99.5161.3178.3-59.30000111.1
573G23.4Very low24.9Very low78 Ų78148.3 Ų148.380%0.80481%0.809SS**  trans-173.947.7-177.100000118.3K575G573-K575 PolarHBondContact O-N 3.24Å
574D23.9Very low25.2Very low161 Ų161142 Ų14286%0.86180%0.799SS**  trans-63.3119.2166.8-79.9-60.4000111.7
575K24.1Very low25.2Very low199 Ų199147.6 Ų147.687%0.86580%0.803SS**  trans168.5110.4140.9-93.7152.7-172171.50112.1G573G573-K575 PolarHBondContact O-N 3.24Å
576L24.7Very low25.3Very low157 Ų157144.3 Ų144.382%0.82281%0.808SS**  trans-169.273.8131.2-108.4164000111.7
577A23.8Very low25.4Very low86 Ų86144.6 Ų144.671%0.71181%0.813SS**  trans-75.3144.8153.600000109
578N24.9Very low25.6Very low140 Ų140146.2 Ų146.275%0.74982%0.817SS**  trans72105.3-172.6-50.6-74.3000115.6
579I25.6Very low25.8Very low169 Ų169146.4 Ų146.487%0.86782%0.821SS**  -172.2110.7111.5-87.9149.3000107.2
580A25.7Very low25.9Very low102 Ų102146.3 Ų146.384%0.84382%0.82SS**  trans163.367157.400000111.9
581L28Very low26.1Very low170 Ų170149 Ų14989%0.8983%0.827SS**  trans-101.1150.5158.8-97.8170.1000108.9
582R29Very low26.3Very low236 Ų236149.2 Ų149.289%0.89183%0.828SS**  trans87.7138.1-166.5-59172.9171.8-155.2-3.4113
583S26.1Very low26.4Very low107 Ų107148.2 Ų148.275%0.74882%0.822SS**  cis-174.8-171.7-12.3-113.20000107.4
584P31.2Very low26.7Very low102 Ų102152.5 Ų152.566%0.66283%0.826SS**  -125.7150.8-51.935.4-21.4000111.4
585W25Very low26.9Very low265 Ų265152.8 Ų152.8100%1.00482%0.822SS**  trans-178.471.2146.5-91-4.7000110.2
586A27Very low27.1Very low100 Ų100151.6 Ų151.683%0.82682%0.821SS**  trans-134.778.7168.700000108.4
587V29Very low27.3Very low121 Ų121154.9 Ų154.973%0.73382%0.823SS**  trans-139.2127.2172.7-175.70000106.4
588H27.3Very low27.6Very low175 Ų175156.1 Ų156.181%0.8182%0.823SS**SBendtrans64.6129-158.5-44.3-79.6000112.5
589Q28.3Very low28.2Very low195 Ų195156.3 Ų156.391%0.91183%0.83SS**  cis-120.9126.63.2-67.9176.7-13.600111.6
590S25.7Very low28.6Very low106 Ų106158 Ų15874%0.74183%0.831SS**  trans-97.4112.5159.853.30000108.5
591N27.9Very low29.1Very low157 Ų157157.7 Ų157.784%0.8483%0.829SS**  trans171.990.1147.8-90.2-16.2000111.4
592L27.4Very low30.2Very low179 Ų179157.6 Ų157.694%0.93783%0.829SS**  trans-172.6101.3139.4-105161.7000107.7
593S26.1Very low31.1Very low107 Ų107152.2 Ų152.275%0.74882%0.817SS**  trans-102.2112.3-177.1165.10000110
594L30.6Very low32.7Very low169 Ų169149.9 Ų149.989%0.88580%0.801SS**  trans-122.8143.4154.3-79176000109.8M596L594-M596 PolarHBondContact O-N 3.19Å
595H27.5Very low33.2Very low166 Ų166151.4 Ų151.477%0.76980%0.803SS**  trans-75124.9-167.1-104.3-52.3000112.3
596M29.2Very low34.8Very low175 Ų175143.2 Ų143.286%0.86278%0.782SS**  trans-91.7131147.6-76.3-72.1106.400109.4L594L594-M596 PolarHBondContact O-N 3.19Å
597R28.4Very low35.9Very low225 Ų225143.5 Ų143.585%0.84977%0.766SS**  trans-131.6160.4165.2-109.8-149.8156.3-178.4-4.3108.5
598P30.2Very low36.9Very low112 Ų112142.9 Ų142.973%0.72776%0.758SS**  trans-99.1155.7-139.9-2.223.4000114.2
599T36.2Very low37.8Very low144 Ų144139.3 Ų139.388%0.88375%0.745SS**  trans-52.9132.4168.626.20000113.1
600K33.9Very low38.6Very low205 Ų205136.1 Ų136.189%0.89173%0.734SS**  trans-166.2146.1158.8-118.3172-174.7-178.40113.1
601A36.8Very low39.3Very low96 Ų96138.4 Ų138.479%0.79374%0.737SS**SBendtrans68.8158.6173.300000116.4
602N50.6Low40.1Very low167 Ų167134.3 Ų134.389%0.89372%0.721SS**PPolyproline II helixtrans-88.5135.6-174.4-44.5-55.7000109.8
603L48.5Very low40.7Very low123 Ų123134 Ų13464%0.64472%0.715SS**PPolyproline II helixtrans-99.7154.2170.2-71165000110.3
604S60.6Low41.7Very low58 Ų58135 Ų13541%0.40672%0.717SS.*PPolyproline II helixtrans-74.6152.4173.6-174.90000111.5V606 E607 L608S604-V606 PolarHBondContact O-N 3.16Å; S604-V606 PolarHBondContact OG-N 2.94Å; S604-E607 VanDerWaalsContact CB-OE2 3.24Å; S604-E607 WeakPolarHBondContact CB-OE2 3.49Å; S604-E607 PolarHBondContact N-OE2 3.34Å; S604-E607 PolarHBondContact O-N 3.31Å; S604-E607 VanDerWaalsContact O-N 3.16Å; S604-L608 PolarHBondContact O-N 2.93Å
605L41.6Very low42Very low134 Ų134132.8 Ų132.870%0.70271%0.71SS**THydrogen-bonded Turntrans-58.5-31.5172.6-17072.4000111.9L609L605-L609 WeakPolarHBondContact O-CG 3.23Å
606V57.9Low42.8Very low94 Ų94130.5 Ų130.557%0.5771%0.713SS**THydrogen-bonded Turntrans-69.3-40.7177.9-1790000111.5S604 L608 L609 D610S604-V606 PolarHBondContact O-N 3.16Å; S604-V606 PolarHBondContact OG-N 2.94Å; V606-L608 VanDerWaalsContact C-N 3.25Å; V606-L608 PolarHBondContact O-N 3.39Å; V606-L609 PolarHBondContact O-N 3.42Å; V606-L609 VanDerWaalsContact O-N 3.09Å; V606-D610 PolarHBondContact O-N 3.04Å
607E50.8Low43.2Very low106 Ų106128.6 Ų128.650%0.49571%0.706SS.*Hα-helixtrans-68.6-25.8179.7-65.1168.6134.600112S604 L609S604-E607 VanDerWaalsContact CB-OE2 3.24Å; S604-E607 WeakPolarHBondContact CB-OE2 3.49Å; S604-E607 PolarHBondContact N-OE2 3.34Å; S604-E607 PolarHBondContact O-N 3.31Å; S604-E607 VanDerWaalsContact O-N 3.16Å; E607-L609 VanDerWaalsContact C-N 3.33Å
608L49.7Very low44.1Very low107 Ų107125.9 Ų125.956%0.5670%0.703SS**Hα-helixtrans-80-9.9173.3-78.1167.7000114.2S604 V606S604-L608 PolarHBondContact O-N 2.93Å; V606-L608 VanDerWaalsContact C-N 3.25Å; V606-L608 PolarHBondContact O-N 3.39Å
609L45.7Very low45.1Very low101 Ų101129.8 Ų129.853%0.52971%0.711SS.*Hα-helixtrans-98.8-40.3179.3-70.1168000111.7L605 V606 E607 D611 S612L605-L609 WeakPolarHBondContact O-CG 3.23Å; V606-L609 PolarHBondContact O-N 3.42Å; V606-L609 VanDerWaalsContact O-N 3.09Å; E607-L609 VanDerWaalsContact C-N 3.33Å; L609-D611 VanDerWaalsContact C-N 3.28Å; L609-D611 PolarHBondContact O-N 3.34Å; L609-S612 WeakPolarHBondContact O-CB 3.41Å; L609-S612 PolarHBondContact O-N 3.01Å; L609-S612 PolarHBondContact O-OG 2.92Å
610D44.5Very low46Very low128 Ų128128.2 Ų128.268%0.68471%0.707SS**Hα-helixtrans-59-37.7173.9-82.64.9000112.2V606 S612V606-D610 PolarHBondContact O-N 3.04Å; D610-S612 PolarHBondContact O-N 3.04Å
611D42.4Very low47.2Very low153 Ų153120.7 Ų120.782%0.81869%0.687SS**THydrogen-bonded Turntrans-70-4.8175.5-98.5-1.5000113.5L609L609-D611 VanDerWaalsContact C-N 3.28Å; L609-D611 PolarHBondContact O-N 3.34Å
612S43.8Very low48.5Very low71 Ų71122.2 Ų122.250%0.49768%0.681SS.*THydrogen-bonded Turntrans-100.5-15-174.177.50000115.6L609 D610 V614L609-S612 WeakPolarHBondContact O-CB 3.41Å; L609-S612 PolarHBondContact O-N 3.01Å; L609-S612 PolarHBondContact O-OG 2.92Å; D610-S612 PolarHBondContact O-N 3.04Å; S612-V614 PolarHBondContact O-N 3.28Å
613E40.9Very low49.9Very low172 Ų172117.8 Ų117.880%0.80466%0.66SS**THydrogen-bonded Turntrans-85.3-0.2-173.9-64.1-156.314700115.1
614V46.3Very low51.3Low130 Ų130118.9 Ų118.979%0.78866%0.662SS**THydrogen-bonded Turntrans-127.745.5-176.6-157.50000114.2S612S612-V614 PolarHBondContact O-N 3.28Å
615T35.8Very low52.3Low122 Ų122122.3 Ų122.375%0.74868%0.676SS**  trans-134.971148.5590000111.4D617T615-D617 PolarHBondContact O-N 3.31Å
616S45.6Very low54.3Low118 Ų118120.8 Ų120.883%0.82567%0.665SS**  trans-72.262.3156.5177.50000109.4E618S616-E618 PolarHBondContact O-N 3.13Å
617D37.6Very low55.2Low134 Ų134119.6 Ų119.672%0.71766%0.655SS**  trans-79.4101.8177.7-151.242.5000108T615T615-D617 PolarHBondContact O-N 3.31Å
618E46.3Very low56.7Low168 Ų168118.7 Ų118.779%0.78565%0.65SS**  trans-60.1174.5169.7-65.8-124116.900110.6S616 S620S616-E618 PolarHBondContact O-N 3.13Å; E618-S620 PolarHBondContact O-N 3.12Å
619E51.6Low58.4Low194 Ų194116.3 Ų116.391%0.90765%0.646SS**  trans-44102.9-175.9-61.7-175.9112.800114G621E619-G621 PolarHBondContact O-N 3.28Å
620S54.7Low60.1Low112 Ų112116.8 Ų116.878%0.78364%0.644SS**  trans-72.647.415534.20000110.4E618E618-S620 PolarHBondContact O-N 3.12Å
621G60.4Low61.9Low46 Ų46113.9 Ų113.947%0.47463%0.628SS.*PPolyproline II helixtrans-69.6149.3167.600000110.1E619 T623E619-G621 PolarHBondContact O-N 3.28Å; G621-T623 PolarHBondContact O-N 3.38Å; G621-T623 VanDerWaalsContact O-N 3.17Å
622L62.8Low63.9Low129 Ų129112 Ų11268%0.67562%0.615SS**PPolyproline II helixtrans-57122.5175.9-65.1170.9000109.3I627L622-I627 HydrophobicContact CB-CD1 4.14Å; L622-I627 HydrophobicContact CB-CG1 3.8Å; L622-I627 WeakPolarHBondContact O-CD1 3.28Å
623T80.7Confident65.9Low74 Ų74116.3 Ų116.345%0.45463%0.627SS.*PPolyproline II helixtrans-63.6154.5179.761.30000110.6G621 D625 E626 I627G621-T623 PolarHBondContact O-N 3.38Å; G621-T623 VanDerWaalsContact O-N 3.17Å; T623-D625 PolarHBondContact O-N 2.81Å; T623-D625 VanDerWaalsContact O-N 3.12Å; T623-E626 WeakPolarHBondContact CB-OE2 3.34Å; T623-E626 WeakPolarHBondContact CG2-OE2 3.45Å; T623-E626 PolarHBondContact N-OE2 2.77Å; T623-E626 PolarHBondContact O-N 3.36Å; T623-E626 WeakPolarHBondContact OG1-CB 3.38Å; T623-E626 VanDerWaalsContact OG1-CD 3.3Å; T623-E626 VanDerWaalsContact OG1-CG 3.23Å; T623-E626 WeakPolarHBondContact OG1-CG 3.49Å; T623-E626 PolarHBondContact OG1-N 2.86Å; T623-E626 PolarHBondContact OG1-OE2 3.36Å; T623-I627 WeakPolarHBondContact O-CG1 3.35Å; T623-I627 PolarHBondContact O-N 2.96Å
624Q77.7Confident68Low145 Ų145110.4 Ų110.468%0.67860%0.601SS**Hα-helixtrans-54.8-33.8178.4-172.667.513.500112Q628Q624-Q628 WeakPolarHBondContact O-CB 3.32Å; Q624-Q628 PolarHBondContact O-N 3.5Å
625D81.9Confident70Confident131 Ų131110.6 Ų110.670%0.70159%0.593SS**Hα-helixtrans-75.4-36.6178.4-64-30.1000112.7T623 Q628 A629T623-D625 PolarHBondContact O-N 2.81Å; T623-D625 VanDerWaalsContact O-N 3.12Å; D625-Q628 PolarHBondContact O-N 3.21Å; D625-A629 VanDerWaalsContact O-CB 3.29Å; D625-A629 WeakPolarHBondContact O-CB 3.37Å; D625-A629 PolarHBondContact O-N 2.81Å
626E82.4Confident72.3Confident102 Ų102108.8 Ų108.848%0.47759%0.586SS.*Hα-helixtrans-67-39.8171.5-73.5166.2122.900111.9T623 A629 F630T623-E626 WeakPolarHBondContact CB-OE2 3.34Å; T623-E626 WeakPolarHBondContact CG2-OE2 3.45Å; T623-E626 PolarHBondContact N-OE2 2.77Å; T623-E626 PolarHBondContact O-N 3.36Å; T623-E626 WeakPolarHBondContact OG1-CB 3.38Å; T623-E626 VanDerWaalsContact OG1-CD 3.3Å; T623-E626 VanDerWaalsContact OG1-CG 3.23Å; T623-E626 WeakPolarHBondContact OG1-CG 3.49Å; T623-E626 PolarHBondContact OG1-N 2.86Å; T623-E626 PolarHBondContact OG1-OE2 3.36Å; E626-A629 PolarHBondContact O-N 3.06Å; E626-F630 VanDerWaalsContact O-CB 3.32Å; E626-F630 WeakPolarHBondContact O-CB 3.35Å; E626-F630 PolarHBondContact O-N 2.72Å
627I77.3Confident74.3Confident68 Ų68108.7 Ų108.735%0.34957%0.57SS.*Hα-helixtrans-61.8-45.8173.2-65.4170.2000109.7L622 T623 F630 L631L622-I627 HydrophobicContact CB-CD1 4.14Å; L622-I627 HydrophobicContact CB-CG1 3.8Å; L622-I627 WeakPolarHBondContact O-CD1 3.28Å; T623-I627 WeakPolarHBondContact O-CG1 3.35Å; T623-I627 PolarHBondContact O-N 2.96Å; I627-F630 PolarHBondContact O-N 2.97Å; I627-L631 HydrophobicContact CG2-CD1 4.12Å; I627-L631 VanDerWaalsContact O-CG 3.27Å; I627-L631 WeakPolarHBondContact O-CG 3.41Å; I627-L631 PolarHBondContact O-N 3.26Å
628Q82.3Confident76.4Confident87 Ų87105.7 Ų105.741%0.40755%0.55SS..Hα-helixtrans-63.6-46177.8-176.561.622.500111.8Q624 D625 F630 L631 E632Q624-Q628 WeakPolarHBondContact O-CB 3.32Å; Q624-Q628 PolarHBondContact O-N 3.5Å; D625-Q628 PolarHBondContact O-N 3.21Å; Q628-F630 VanDerWaalsContact C-N 3.32Å; Q628-F630 PolarHBondContact O-N 3.01Å; Q628-L631 PolarHBondContact O-N 2.87Å; Q628-E632 PolarHBondContact NE2-OE1 2.92Å; Q628-E632 WeakPolarHBondContact O-CG 3.34Å; Q628-E632 PolarHBondContact O-N 3.33Å
629A85.4Confident78.2Confident57 Ų57100.4 Ų100.447%0.47153%0.531SS..Hα-helixtrans-60.7-40176.300000112.1D625 E626 E632 Q633D625-A629 VanDerWaalsContact O-CB 3.29Å; D625-A629 WeakPolarHBondContact O-CB 3.37Å; D625-A629 PolarHBondContact O-N 2.81Å; E626-A629 PolarHBondContact O-N 3.06Å; A629-E632 PolarHBondContact O-N 3.44Å; A629-Q633 VanDerWaalsContact O-CB 3.3Å; A629-Q633 WeakPolarHBondContact O-CB 3.47Å; A629-Q633 PolarHBondContact O-N 2.94Å
630F82.3Confident79.8Confident112 Ų11295.1 Ų95.149%0.49151%0.509SS..Hα-helixtrans-65-41.4174.1179.9-93000112.3E626 I627 Q628 N634E626-F630 VanDerWaalsContact O-CB 3.32Å; E626-F630 WeakPolarHBondContact O-CB 3.35Å; E626-F630 PolarHBondContact O-N 2.72Å; I627-F630 PolarHBondContact O-N 2.97Å; Q628-F630 VanDerWaalsContact C-N 3.32Å; Q628-F630 PolarHBondContact O-N 3.01Å; F630-N634 WeakPolarHBondContact CE2-ND2 3.48Å; F630-N634 WeakPolarHBondContact O-CB 3.45Å; F630-N634 PolarHBondContact O-N 2.83Å; F630-N634 PolarHBondContact O-ND2 2.9Å
631L81.5Confident81.4Confident66 Ų6695.3 Ų95.335%0.34649%0.493SS..Hα-helixtrans-64.9-38.2176.2-72.2173.2000112.3I627 Q628 N634 Q635 Y638I627-L631 HydrophobicContact CG2-CD1 4.12Å; I627-L631 VanDerWaalsContact O-CG 3.27Å; I627-L631 WeakPolarHBondContact O-CG 3.41Å; I627-L631 PolarHBondContact O-N 3.26Å; Q628-L631 PolarHBondContact O-N 2.87Å; L631-N634 CarbonylContact O-C 3.57Å; L631-Q635 WeakPolarHBondContact O-CA 3.33Å; L631-Q635 PolarHBondContact O-N 3.29Å; L631-Y638 HydrophobicContact CD2-CD2 4.22Å; L631-Y638 HydrophobicContact CD2-CE1 4.39Å; L631-Y638 HydrophobicContact CD2-CE2 3.57Å
632E83.9Confident82.7Confident115 Ų11598.3 Ų98.354%0.53749%0.494SS..Hα-helixtrans-70.9-45.9176.3-73.2179.7-167.700112Q628 A629 N634 Q635Q628-E632 PolarHBondContact NE2-OE1 2.92Å; Q628-E632 WeakPolarHBondContact O-CG 3.34Å; Q628-E632 PolarHBondContact O-N 3.33Å; A629-E632 PolarHBondContact O-N 3.44Å; E632-N634 PolarHBondContact O-N 3.14Å; E632-Q635 WeakPolarHBondContact O-CB 3.43Å; E632-Q635 PolarHBondContact O-N 3.39Å; E632-Q635 VanDerWaalsContact O-N 3.1Å
633Q87.3Confident83.9Confident160 Ų16097.4 Ų97.475%0.74849%0.486SS*.Hα-helixtrans-60.2-31.4175.6-168.3177.241.400112.3A629A629-Q633 VanDerWaalsContact O-CB 3.3Å; A629-Q633 WeakPolarHBondContact O-CB 3.47Å; A629-Q633 PolarHBondContact O-N 2.94Å
634N84.8Confident83.9Confident49 Ų49101.2 Ų101.226%0.26249%0.494SS..THydrogen-bonded Turntrans-101.915.1178.3-67.2-84.8000113.6F630 L631 E632 S636 F637 Y638F630-N634 WeakPolarHBondContact CE2-ND2 3.48Å; F630-N634 WeakPolarHBondContact O-CB 3.45Å; F630-N634 PolarHBondContact O-N 2.83Å; F630-N634 PolarHBondContact O-ND2 2.9Å; L631-N634 CarbonylContact O-C 3.57Å; E632-N634 PolarHBondContact O-N 3.14Å; N634-S636 PolarHBondContact O-N 2.88Å; N634-S636 VanDerWaalsContact O-N 3.12Å; N634-F637 WeakPolarHBondContact O-CB 3.32Å; N634-F637 PolarHBondContact O-N 3.4Å; N634-Y638 HydrophobicContact CB-CD2 4.1Å; N634-Y638 HydrophobicContact CB-CE2 3.81Å; N634-Y638 VanDerWaalsContact O-CD2 3.25Å; N634-Y638 WeakPolarHBondContact O-CD2 3.28Å; N634-Y638 PolarHBondContact O-N 3.39Å; N634-Y638 VanDerWaalsContact O-N 3.14Å
635Q87.2Confident84.4Confident133 Ų133102.1 Ų102.162%0.62149%0.491SS*.Hα-helixtrans-57.8-33-173.9-172.4-17983.200113L631 E632 Y638 S639L631-Q635 WeakPolarHBondContact O-CA 3.33Å; L631-Q635 PolarHBondContact O-N 3.29Å; E632-Q635 WeakPolarHBondContact O-CB 3.43Å; E632-Q635 PolarHBondContact O-N 3.39Å; E632-Q635 VanDerWaalsContact O-N 3.1Å; Q635-Y638 PolarHBondContact O-N 3.1Å; Q635-S639 VanDerWaalsContact O-CB 3.31Å; Q635-S639 WeakPolarHBondContact O-CB 3.48Å; Q635-S639 PolarHBondContact O-N 3.39Å
636S84.1Confident84.7Confident85 Ų85101.3 Ų101.359%0.59448%0.483SS*.Hα-helixtrans-64.1-41.7174.2580000112.8N634 S639 N640N634-S636 PolarHBondContact O-N 2.88Å; N634-S636 VanDerWaalsContact O-N 3.12Å; S636-S639 PolarHBondContact O-N 2.91Å; S636-N640 WeakPolarHBondContact O-CB 3.36Å; S636-N640 VanDerWaalsContact O-CG 3.28Å; S636-N640 PolarHBondContact O-N 3.16Å
637F87.7Confident85.2Confident115 Ų115100.5 Ų100.550%0.50448%0.481SS..Hα-helixtrans-63.7-45.6174.9170.7-98.4000111.2N634 N640 R641N634-F637 WeakPolarHBondContact O-CB 3.32Å; N634-F637 PolarHBondContact O-N 3.4Å; F637-N640 PolarHBondContact O-N 2.93Å; F637-R641 VanDerWaalsContact O-CB 3.25Å; F637-R641 WeakPolarHBondContact O-CB 3.34Å; F637-R641 PolarHBondContact O-N 3.26Å
638Y81.6Confident85.5Confident72 Ų72102.9 Ų102.928%0.28249%0.494SS..Hα-helixtrans-66-38.7177.2-70-71.6000112.7L631 N634 Q635 R641 H642L631-Y638 HydrophobicContact CD2-CD2 4.22Å; L631-Y638 HydrophobicContact CD2-CE1 4.39Å; L631-Y638 HydrophobicContact CD2-CE2 3.57Å; N634-Y638 HydrophobicContact CB-CD2 4.1Å; N634-Y638 HydrophobicContact CB-CE2 3.81Å; N634-Y638 VanDerWaalsContact O-CD2 3.25Å; N634-Y638 WeakPolarHBondContact O-CD2 3.28Å; N634-Y638 PolarHBondContact O-N 3.39Å; N634-Y638 VanDerWaalsContact O-N 3.14Å; Q635-Y638 PolarHBondContact O-N 3.1Å; Y638-R641 PolarHBondContact O-N 3.08Å; Y638-H642 WeakPolarHBondContact O-CB 3.45Å; Y638-H642 PolarHBondContact O-N 3.07Å
639S84.9Confident85.8Confident56 Ų56106.2 Ų106.239%0.39251%0.507SS..Hα-helixtrans-62.5-50.1174.1-173.30000111.7Q635 S636 R641 H642 Q643Q635-S639 VanDerWaalsContact O-CB 3.31Å; Q635-S639 WeakPolarHBondContact O-CB 3.48Å; Q635-S639 PolarHBondContact O-N 3.39Å; S636-S639 PolarHBondContact O-N 2.91Å; S639-R641 PolarHBondContact O-N 3.39Å; S639-H642 WeakPolarHBondContact O-CB 3.45Å; S639-H642 PolarHBondContact O-N 3.23Å; S639-H642 VanDerWaalsContact O-N 3.13Å; S639-Q643 WeakPolarHBondContact O-CG 3.17Å; S639-Q643 PolarHBondContact O-N 3.09Å; S639-Q643 PolarHBondContact OG-NE2 3.15Å
640N86Confident86Confident83 Ų83109 Ų10944%0.44451%0.51SS..Hα-helixtrans-59.1-46175.3-73.4-10.7000111.4S636 F637 H642 Q643 Y644S636-N640 WeakPolarHBondContact O-CB 3.36Å; S636-N640 VanDerWaalsContact O-CG 3.28Å; S636-N640 PolarHBondContact O-N 3.16Å; F637-N640 PolarHBondContact O-N 2.93Å; N640-H642 VanDerWaalsContact C-N 3.25Å; N640-H642 PolarHBondContact O-N 2.98Å; N640-Q643 PolarHBondContact O-N 3.46Å; N640-Y644 WeakPolarHBondContact O-CD2 3.34Å; N640-Y644 PolarHBondContact O-N 2.86Å
641R88.3Confident86.2Confident117 Ų117108.8 Ų108.844%0.44251%0.509SS..Hα-helixtrans-60.1-34.6176.8-167-179.277.7164.32.2112.2F637 Y638 S639 R645F637-R641 VanDerWaalsContact O-CB 3.25Å; F637-R641 WeakPolarHBondContact O-CB 3.34Å; F637-R641 PolarHBondContact O-N 3.26Å; Y638-R641 PolarHBondContact O-N 3.08Å; S639-R641 PolarHBondContact O-N 3.39Å; R641-R645 WeakPolarHBondContact O-CG 3.42Å; R641-R645 PolarHBondContact O-N 3.29Å; R641-R645 VanDerWaalsContact O-N 3.16Å
642H86.6Confident86.4Confident108 Ų108112.3 Ų112.350%0.552%0.522SS..Hα-helixtrans-72.1-43.8174.5-178.6-108.7000112Y638 S639 N640 R645 Q646Y638-H642 WeakPolarHBondContact O-CB 3.45Å; Y638-H642 PolarHBondContact O-N 3.07Å; S639-H642 WeakPolarHBondContact O-CB 3.45Å; S639-H642 PolarHBondContact O-N 3.23Å; S639-H642 VanDerWaalsContact O-N 3.13Å; N640-H642 VanDerWaalsContact C-N 3.25Å; N640-H642 PolarHBondContact O-N 2.98Å; H642-R645 PolarHBondContact O-N 2.98Å; H642-Q646 PolarHBondContact CE1-NE2 3.43Å; H642-Q646 PolarHBondContact O-N 3.05Å
643Q87.4Confident86.5Confident110 Ų110109.2 Ų109.251%0.51451%0.511SS..Hα-helixtrans-59.8-46174.8-68.8175.332.300111.7S639 N640 R645 Q646 L647S639-Q643 WeakPolarHBondContact O-CG 3.17Å; S639-Q643 PolarHBondContact O-N 3.09Å; S639-Q643 PolarHBondContact OG-NE2 3.15Å; N640-Q643 PolarHBondContact O-N 3.46Å; Q643-R645 VanDerWaalsContact C-N 3.33Å; Q643-R645 PolarHBondContact O-N 3.32Å; Q643-Q646 PolarHBondContact O-N 3.17Å; Q643-Q646 VanDerWaalsContact O-N 3.16Å; Q643-L647 WeakPolarHBondContact O-CB 3.38Å; Q643-L647 PolarHBondContact O-N 3.41Å
644Y81.6Confident86.4Confident155 Ų155105 Ų10561%0.60849%0.493SS*.Hα-helixtrans-60-40.1173.7-78.1-62000112.6N640 L647 L648N640-Y644 WeakPolarHBondContact O-CD2 3.34Å; N640-Y644 PolarHBondContact O-N 2.86Å; Y644-L647 PolarHBondContact O-N 2.79Å; Y644-L648 WeakPolarHBondContact O-CB 3.16Å; Y644-L648 VanDerWaalsContact O-CG 3.3Å; Y644-L648 WeakPolarHBondContact O-CG 3.44Å; Y644-L648 PolarHBondContact O-N 3.04Å
645R87.1Confident86.3Confident163 Ų163110.1 Ų110.162%0.61551%0.51SS*.Hα-helixtrans-64.9-37.4174.3-78.6178.2173-148.8-3.1112.7R641 H642 Q643 K649R641-R645 WeakPolarHBondContact O-CG 3.42Å; R641-R645 PolarHBondContact O-N 3.29Å; R641-R645 VanDerWaalsContact O-N 3.16Å; H642-R645 PolarHBondContact O-N 2.98Å; Q643-R645 VanDerWaalsContact C-N 3.33Å; Q643-R645 PolarHBondContact O-N 3.32Å; R645-K649 WeakPolarHBondContact O-CB 3.25Å; R645-K649 PolarHBondContact O-N 2.74Å
646Q88.4Confident85.8Confident115 Ų115106.1 Ų106.154%0.53750%0.496SS..Hα-helixtrans-67.5-46.1173.3-71.2-165.7-1500111.6H642 Q643 L648 K649 E650H642-Q646 PolarHBondContact CE1-NE2 3.43Å; H642-Q646 PolarHBondContact O-N 3.05Å; Q643-Q646 PolarHBondContact O-N 3.17Å; Q643-Q646 VanDerWaalsContact O-N 3.16Å; Q646-L648 PolarHBondContact O-N 3.06Å; Q646-K649 CarbonylContact O-C 3.47Å; Q646-K649 PolarHBondContact O-N 3.49Å; Q646-K649 VanDerWaalsContact O-N 3.15Å; Q646-E650 PolarHBondContact O-N 3.22Å
647L93Very high85.6Confident85 Ų85108.4 Ų108.445%0.44549%0.492SS..Hα-helixtrans-59.7-42.1177.3-177.166.7000112.2Q643 Y644 E650 K651Q643-L647 WeakPolarHBondContact O-CB 3.38Å; Q643-L647 PolarHBondContact O-N 3.41Å; Y644-L647 PolarHBondContact O-N 2.79Å; L647-E650 PolarHBondContact O-N 3.27Å; L647-K651 WeakPolarHBondContact O-CB 3.39Å; L647-K651 PolarHBondContact O-N 2.87Å
648L84.8Confident84.9Confident118 Ų118105.7 Ų105.762%0.61849%0.491SS*.Hα-helixtrans-64.4-43.3174.1-74.7168.6000111.9Y644 Q646 E650 K651 F652Y644-L648 WeakPolarHBondContact O-CB 3.16Å; Y644-L648 VanDerWaalsContact O-CG 3.3Å; Y644-L648 WeakPolarHBondContact O-CG 3.44Å; Y644-L648 PolarHBondContact O-N 3.04Å; Q646-L648 PolarHBondContact O-N 3.06Å; L648-E650 VanDerWaalsContact C-N 3.3Å; L648-E650 PolarHBondContact O-N 2.94Å; L648-K651 PolarHBondContact O-N 3.44Å; L648-F652 WeakPolarHBondContact O-CB 3.44Å; L648-F652 PolarHBondContact O-N 3.2Å
649K88.6Confident84.1Confident156 Ų156105.5 Ų105.568%0.67850%0.498SS*.Hα-helixtrans-63.6-37176.1-170.1176.8-177179.40111.5R645 Q646 T653R645-K649 WeakPolarHBondContact O-CB 3.25Å; R645-K649 PolarHBondContact O-N 2.74Å; Q646-K649 CarbonylContact O-C 3.47Å; Q646-K649 PolarHBondContact O-N 3.49Å; Q646-K649 VanDerWaalsContact O-N 3.15Å; K649-T653 VanDerWaalsContact O-CB 3.3Å; K649-T653 WeakPolarHBondContact O-CB 3.26Å; K649-T653 PolarHBondContact O-N 3.05Å; K649-T653 PolarHBondContact O-OG1 3.11Å
650E88.3Confident82.9Confident115 Ų115109.3 Ų109.354%0.53751%0.509SS..Hα-helixtrans-70.4-49.1174.4-179172.2-16800111.9Q646 L647 L648 F652 T653 N654Q646-E650 PolarHBondContact O-N 3.22Å; L647-E650 PolarHBondContact O-N 3.27Å; L648-E650 VanDerWaalsContact C-N 3.3Å; L648-E650 PolarHBondContact O-N 2.94Å; E650-F652 VanDerWaalsContact C-N 3.29Å; E650-F652 PolarHBondContact O-N 2.89Å; E650-T653 PolarHBondContact O-N 2.68Å; E650-T653 VanDerWaalsContact O-N 3.11Å; E650-N654 WeakPolarHBondContact CG-ND2 3.47Å; E650-N654 WeakPolarHBondContact O-CB 3.48Å; E650-N654 PolarHBondContact O-N 3.11Å
651K87Confident81.6Confident109 Ų109115.7 Ų115.747%0.47453%0.527SS..Hα-helixtrans-57.3-41.8176-76.7-152.9176.8-156.50111.3E365 L647 L648 N654 Y655E365-K651 IonicContact OE2-NZ 3.89Å; E365-K651 PolarHBondContact OE2-NZ 2.92Å; L647-K651 WeakPolarHBondContact O-CB 3.39Å; L647-K651 PolarHBondContact O-N 2.87Å; L648-K651 PolarHBondContact O-N 3.44Å; K651-N654 PolarHBondContact O-N 3.4Å; K651-Y655 WeakPolarHBondContact O-CB 3.36Å; K651-Y655 PolarHBondContact O-N 3.25Å
652F85.4Confident80Confident140 Ų140114.7 Ų114.761%0.61454%0.538SS*.Hα-helixtrans-64-45.4173.4-174.9-100.1000112.6L648 E650 N654 Y655 C656L648-F652 WeakPolarHBondContact O-CB 3.44Å; L648-F652 PolarHBondContact O-N 3.2Å; E650-F652 VanDerWaalsContact C-N 3.29Å; E650-F652 PolarHBondContact O-N 2.89Å; F652-N654 VanDerWaalsContact C-N 3.31Å; F652-N654 PolarHBondContact O-N 3.44Å; F652-Y655 WeakPolarHBondContact O-CB 3.48Å; F652-Y655 PolarHBondContact O-N 3.17Å; F652-C656 PolarHBondContact O-N 3.17Å; F652-C656 PolarHBondContact O-SG 2.97Å; F652-C656 VanDerWaalsContact O-SG 3.4Å
653T86.8Confident78.2Confident49 Ų49117.9 Ų117.930%0.30155%0.55SS.*Hα-helixtrans-60.6-41.2176.6-58.60000111.8K649 E650 R657K649-T653 VanDerWaalsContact O-CB 3.3Å; K649-T653 WeakPolarHBondContact O-CB 3.26Å; K649-T653 PolarHBondContact O-N 3.05Å; K649-T653 PolarHBondContact O-OG1 3.11Å; E650-T653 PolarHBondContact O-N 2.68Å; E650-T653 VanDerWaalsContact O-N 3.11Å; T653-R657 WeakPolarHBondContact O-CB 3.42Å; T653-R657 VanDerWaalsContact O-CG 3.28Å; T653-R657 WeakPolarHBondContact O-CG 3.49Å; T653-R657 PolarHBondContact O-N 2.86Å
654N84.7Confident76.1Confident71 Ų71124 Ų12438%0.3857%0.568SS.*Hα-helixtrans-72.9-33.2178.2-73.8-24.6000112.1E650 K651 F652 A658E650-N654 WeakPolarHBondContact CG-ND2 3.47Å; E650-N654 WeakPolarHBondContact O-CB 3.48Å; E650-N654 PolarHBondContact O-N 3.11Å; K651-N654 PolarHBondContact O-N 3.4Å; F652-N654 VanDerWaalsContact C-N 3.31Å; F652-N654 PolarHBondContact O-N 3.44Å; N654-A658 VanDerWaalsContact O-CB 3.28Å; N654-A658 WeakPolarHBondContact O-CB 3.3Å; N654-A658 PolarHBondContact O-N 3.47Å
655Y82.7Confident74.3Confident158 Ų158123 Ų12362%0.6258%0.578SS**Hα-helixtrans-60.1-54.2169.3177.2-98.3000110.9K651 F652 R657 A658 T659K651-Y655 WeakPolarHBondContact O-CB 3.36Å; K651-Y655 PolarHBondContact O-N 3.25Å; F652-Y655 WeakPolarHBondContact O-CB 3.48Å; F652-Y655 PolarHBondContact O-N 3.17Å; Y655-R657 VanDerWaalsContact C-N 3.35Å; Y655-R657 PolarHBondContact O-N 3.25Å; Y655-A658 WeakPolarHBondContact O-CA 3.47Å; Y655-A658 WeakPolarHBondContact O-CB 3.31Å; Y655-A658 PolarHBondContact O-N 3.22Å; Y655-T659 PolarHBondContact O-N 2.8Å; Y655-T659 PolarHBondContact O-OG1 2.74Å; Y655-T659 VanDerWaalsContact O-OG1 3.04Å
656C77.6Confident71.9Confident48 Ų48121.1 Ų121.132%0.32459%0.589SS.*Hα-helixtrans-56.4-46.6177.5-65.50000112.2F652 A658 T659 E660F652-C656 PolarHBondContact O-N 3.17Å; F652-C656 PolarHBondContact O-SG 2.97Å; F652-C656 VanDerWaalsContact O-SG 3.4Å; C656-A658 VanDerWaalsContact C-N 3.28Å; C656-A658 PolarHBondContact O-N 3.01Å; C656-T659 WeakPolarHBondContact O-CB 3.46Å; C656-T659 PolarHBondContact O-N 2.55Å; C656-T659 VanDerWaalsContact O-N 3.15Å; C656-E660 WeakPolarHBondContact O-CG 2.97Å; C656-E660 PolarHBondContact O-N 3.05Å
657R79.3Confident69.3Low133 Ų133118.3 Ų118.350%0.50259%0.591SS.*Hα-helixtrans-63-30.5175.2-73169.4173.4174.7-2.6113.5T653 Y655 R661T653-R657 WeakPolarHBondContact O-CB 3.42Å; T653-R657 VanDerWaalsContact O-CG 3.28Å; T653-R657 WeakPolarHBondContact O-CG 3.49Å; T653-R657 PolarHBondContact O-N 2.86Å; Y655-R657 VanDerWaalsContact C-N 3.35Å; Y655-R657 PolarHBondContact O-N 3.25Å; R657-R661 WeakPolarHBondContact O-CB 3.15Å; R657-R661 VanDerWaalsContact O-CG 3.24Å; R657-R661 WeakPolarHBondContact O-CG 3.03Å; R657-R661 PolarHBondContact O-N 3.42Å
658A73.8Confident66.8Low59 Ų59123.1 Ų123.149%0.48861%0.608SS.*Hα-helixtrans-72.8-39.7173.400000111.3N654 Y655 C656 R661 S662N654-A658 VanDerWaalsContact O-CB 3.28Å; N654-A658 WeakPolarHBondContact O-CB 3.3Å; N654-A658 PolarHBondContact O-N 3.47Å; Y655-A658 WeakPolarHBondContact O-CA 3.47Å; Y655-A658 WeakPolarHBondContact O-CB 3.31Å; Y655-A658 PolarHBondContact O-N 3.22Å; C656-A658 VanDerWaalsContact C-N 3.28Å; C656-A658 PolarHBondContact O-N 3.01Å; A658-R661 CarbonylContact O-C 3.48Å; A658-R661 PolarHBondContact O-N 3.13Å; A658-S662 WeakPolarHBondContact O-CB 3.41Å; A658-S662 PolarHBondContact O-N 3.07Å
659T63.6Low64.3Low68 Ų68129.8 Ų129.842%0.41763%0.625SS.*Hα-helixtrans-63.2-40.5173.2-45.80000111.7Y655 C656 S662 K663Y655-T659 PolarHBondContact O-N 2.8Å; Y655-T659 PolarHBondContact O-OG1 2.74Å; Y655-T659 VanDerWaalsContact O-OG1 3.04Å; C656-T659 WeakPolarHBondContact O-CB 3.46Å; C656-T659 PolarHBondContact O-N 2.55Å; C656-T659 VanDerWaalsContact O-N 3.15Å; T659-S662 WeakPolarHBondContact O-CB 3.34Å; T659-S662 PolarHBondContact O-N 2.94Å; T659-K663 PolarHBondContact O-N 3.34Å
660E60.7Low61.7Low135 Ų135131.6 Ų131.663%0.63163%0.633SS**Hα-helixtrans-61.4-50.2171.7-71.4173.9155.600111.6C656 S662 K663C656-E660 WeakPolarHBondContact O-CG 2.97Å; C656-E660 PolarHBondContact O-N 3.05Å; E660-S662 PolarHBondContact O-N 3.47Å; E660-K663 WeakPolarHBondContact O-CB 3.24Å; E660-K663 PolarHBondContact O-N 2.98Å
661R58.5Low58.9Low217 Ų217131.2 Ų131.282%0.81965%0.65SS**Hα-helixtrans-64.5-20176.5-73.3171.7175.6-179.1-0.9113.6R657 A658 K663R657-R661 WeakPolarHBondContact O-CB 3.15Å; R657-R661 VanDerWaalsContact O-CG 3.24Å; R657-R661 WeakPolarHBondContact O-CG 3.03Å; R657-R661 PolarHBondContact O-N 3.42Å; A658-R661 CarbonylContact O-C 3.48Å; A658-R661 PolarHBondContact O-N 3.13Å; R661-K663 VanDerWaalsContact C-N 3.34Å
662S53.8Low56.3Low96 Ų96132.1 Ų132.167%0.67167%0.665SS**Hα-helixtrans-73.9-23.4173.3-167.40000112.8A658 T659 E660 R664A658-S662 WeakPolarHBondContact O-CB 3.41Å; A658-S662 PolarHBondContact O-N 3.07Å; T659-S662 WeakPolarHBondContact O-CB 3.34Å; T659-S662 PolarHBondContact O-N 2.94Å; E660-S662 PolarHBondContact O-N 3.47Å; S662-R664 VanDerWaalsContact C-N 3.32Å; S662-R664 PolarHBondContact O-N 2.76Å
663K48.7Very low53.7Low176 Ų176131.8 Ų131.877%0.76567%0.674SS**SBendtrans-75.782.7172.3-70.7-177.4176.3177.50109.9T659 E660 R661 V665T659-K663 PolarHBondContact O-N 3.34Å; E660-K663 WeakPolarHBondContact O-CB 3.24Å; E660-K663 PolarHBondContact O-N 2.98Å; R661-K663 VanDerWaalsContact C-N 3.34Å; K663-V665 PolarHBondContact O-N 3.39Å
664R44.2Very low51Low237 Ų237134.1 Ų134.189%0.89469%0.692SS**PPolyproline II helixtrans-58.6120167.6-82.6-169.2175.2-167.1-0.1109.8S662 C666S662-R664 VanDerWaalsContact C-N 3.32Å; S662-R664 PolarHBondContact O-N 2.76Å; R664-C666 PolarHBondContact O-N 3.27Å
665V44.6Very low48.5Very low134 Ų134137.2 Ų137.281%0.81271%0.714SS**PPolyproline II helixtrans-57.4123.2165.71760000108.7K663 G667K663-V665 PolarHBondContact O-N 3.39Å; V665-G667 PolarHBondContact O-N 3.21Å
666C35.4Very low46.1Very low125 Ų125142.9 Ų142.985%0.84574%0.741SS**PPolyproline II helixtrans-67116.6167.8-172.60000108.2R664 K668R664-C666 PolarHBondContact O-N 3.27Å; C666-K668 PolarHBondContact O-N 3.2Å
667G34.8Very low44.5Very low55 Ų55147.6 Ų147.657%0.56776%0.762SS**PPolyproline II helixtrans-67.8126.2-170.500000112.6V665 W669V665-G667 PolarHBondContact O-N 3.21Å; G667-W669 PolarHBondContact O-N 3.46Å
668K39Very low42.7Very low186 Ų186148.4 Ų148.481%0.80978%0.776SS**PPolyproline II helixtrans-62.5118.7163.4-70.4-176.8177.2-178.50108.8C666C666-K668 PolarHBondContact O-N 3.2Å
669W32.2Very low40.9Very low259 Ų259153.3 Ų153.398%0.98179%0.792SS**PPolyproline II helixtrans-84.2128.9162.6-83.239.7000108.7G667G667-W669 PolarHBondContact O-N 3.46Å
670F34.7Very low39.6Very low194 Ų194158.4 Ų158.485%0.85181%0.814SS**PPolyproline II helixtrans-102.2130.7170.2-80.5-90.2000109.3
671A29.7Very low38.3Very low107 Ų107159.8 Ų159.888%0.88483%0.825SS**  trans-155.1123.7154.600000109.9
672T32.6Very low36.9Very low128 Ų128156 Ų15679%0.78583%0.826SS**  trans-88.6143.2171.2450000110.7
673T30.2Very low35.7Very low132 Ų132160.3 Ų160.381%0.8184%0.837SS**  -175115.7124.524.60000115.3
674S30Very low34.7Very low98 Ų98159.1 Ų159.169%0.68584%0.842SS**  45.4126.7129.965.60000124.2
675V33.2Very low33.9Very low136 Ų136152.6 Ų152.682%0.82484%0.838SS**  trans72.9100.6137.9-178.10000118.4
676K31.1Very low33Very low277 Ų277154.3 Ų154.3100%1.20484%0.841SS**  -142.3084-103-170.3177.2-179.80111.2

Retrieved 676 of 676 residues in 1331.4 ms (Link to these results)

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