G4M0X2_SCHMA Loading...

Ubiquilin 1,2, putative

AlphaFold DB , UniProt , Accession G4M0X2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 543 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
1M54.9Low83Confident216 Ų21674.9 Ų74.9100%1.06440%0.397SS*.  0107.90-77.9153167.200106.8
2S74.6Confident82.7Confident79 Ų7987.5 Ų87.555%0.55244%0.435SS*.PPolyproline II helixtrans-78.9125.8178.9-59.10000108.3S21S2-S21 WeakPolarHBondContact O-CB 3.37Å; S2-S21 PolarHBondContact O-N 2.81Å
3N83.2Confident82.8Confident102 Ų10283.5 Ų83.555%0.54543%0.43SS..EExtended strand (participates in β ladder)trans-87.2130.8171.1-70.7-25.2000108.6V19N3-V19 CarbonylContact C-O 3.57Å; N3-V19 WeakPolarHBondContact CA-O 3.37Å
4F86Confident83.2Confident45 Ų4583.1 Ų83.120%0.19743%0.425CS..EExtended strand (participates in β ladder)trans-98.9127.7171.7-66-32.3000110L6 S18 V19 I58 D65F4-L6 HydrophobicContact CB-CD2 4.32Å; F4-L6 HydrophobicContact CB-CG 4.35Å; F4-S18 WeakPolarHBondContact O-CA 3.44Å; F4-V19 PolarHBondContact N-O 3.45Å; F4-V19 PolarHBondContact O-N 2.85Å; F4-I58 HydrophobicContact CD2-CG2 3.98Å; F4-I58 HydrophobicContact CE2-CG2 4.24Å; F4-D65 WeakPolarHBondContact CA-OD1 3.33Å; F4-D65 HydrophobicContact CD1-CB 3.63Å; F4-D65 HydrophobicContact CE1-CB 4.2Å; F4-D65 HydrophobicContact CG-CB 4.37Å
5S87.2Confident83.5Confident53 Ų5383.7 Ų83.737%0.37142%0.423SS..EExtended strand (participates in β ladder)trans-84.8101.9168.5-60.10000109.1V17 D65 G66S5-V17 WeakPolarHBondContact CA-O 3.5Å; S5-D65 WeakPolarHBondContact CA-OD1 3.47Å; S5-D65 WeakPolarHBondContact CB-OD1 3.21Å; S5-D65 PolarHBondContact N-OD1 2.87Å; S5-G66 VanDerWaalsContact O-CA 3.28Å; S5-G66 WeakPolarHBondContact O-CA 3.1Å; S5-G66 PolarHBondContact O-N 3.47Å
6L88.1Confident83.9Confident0 Ų083.9 Ų83.90%043%0.431CS..EExtended strand (participates in β ladder)trans-101.7132.5179.6-59.3176.4000110F4 T16 V17 V19 L28 I58 I63 K64 I69F4-L6 HydrophobicContact CB-CD2 4.32Å; F4-L6 HydrophobicContact CB-CG 4.35Å; L6-T16 CarbonylContact O-C 3.59Å; L6-T16 WeakPolarHBondContact O-CA 3.42Å; L6-V17 HydrophobicContact CB-CG2 4.21Å; L6-V17 PolarHBondContact N-O 3.24Å; L6-V17 PolarHBondContact O-N 3.43Å; L6-V19 HydrophobicContact CD1-CG2 3.58Å; L6-V19 HydrophobicContact CG-CG2 4.22Å; L6-L28 HydrophobicContact CD1-CD1 3.89Å; L6-L28 HydrophobicContact CD1-CD2 4.27Å; L6-I58 HydrophobicContact CD1-CD1 4.12Å; L6-I63 HydrophobicContact CD1-CG2 4.13Å; L6-I63 HydrophobicContact CD2-CG2 3.46Å; L6-I63 VanDerWaalsContact CD2-CG2 3.46Å; L6-I63 HydrophobicContact CG-CG2 4.47Å; L6-K64 WeakPolarHBondContact CD2-O 3.25Å; L6-I69 HydrophobicContact CB-CD1 4.47Å; L6-I69 HydrophobicContact CD1-CD1 3.94Å
7R90.3Very high84.1Confident106 Ų10679.5 Ų79.540%0.441%0.408SS..EExtended strand (participates in β ladder)trans-91.6109.9178.1-66.5177.369.1-177-2.6108.8E14 F67 I68 I69R7-E14 IonicContact CZ-OE1 3.06Å; R7-E14 IonicContact CZ-OE2 3.86Å; R7-E14 IonicContact NE-OE1 2.62Å; R7-E14 PolarHBondContact NE-OE1 3.31Å; R7-E14 IonicContact NH2-OE1 2.71Å; R7-E14 PolarHBondContact NH2-OE1 3.23Å; R7-E14 IonicContact NH2-OE2 2.97Å; R7-E14 PolarHBondContact NH2-OE2 3.15Å; R7-F67 PolarHBondContact N-O 2.73Å; R7-I68 HydrophobicContact CB-CG1 4.11Å; R7-I68 CarbonylContact O-C 3.58Å; R7-I68 VanDerWaalsContact O-CA 3.25Å; R7-I68 WeakPolarHBondContact O-CA 3.48Å; R7-I69 PolarHBondContact O-N 3.32Å
8I90.3Very high84.3Confident0 Ų079.1 Ų79.10%041%0.413CS..EExtended strand (participates in β ladder)trans-94115.7178.3-57.8-178.3000108.9E14 K15 V17 L28 A32 F36 I69 L71I8-E14 CarbonylContact O-C 3.58Å; I8-E14 VanDerWaalsContact O-CA 3.3Å; I8-E14 WeakPolarHBondContact O-CA 3.48Å; I8-E14 WeakPolarHBondContact O-CG 3.21Å; I8-K15 PolarHBondContact N-O 2.84Å; I8-K15 PolarHBondContact O-N 3.39Å; I8-V17 HydrophobicContact CD1-CB 4.38Å; I8-V17 HydrophobicContact CD1-CG1 3.93Å; I8-V17 HydrophobicContact CD1-CG2 3.49Å; I8-V17 VanDerWaalsContact CD1-CG2 3.49Å; I8-V17 HydrophobicContact CG1-CG2 3.94Å; I8-L28 HydrophobicContact CD1-CD1 4.37Å; I8-A32 HydrophobicContact CD1-CB 3.55Å; I8-F36 HydrophobicContact CB-CE2 3.83Å; I8-F36 HydrophobicContact CB-CZ 4.31Å; I8-F36 HydrophobicContact CG2-CD2 4.37Å; I8-F36 HydrophobicContact CG2-CE2 3.46Å; I8-F36 VanDerWaalsContact CG2-CE2 3.46Å; I8-F36 HydrophobicContact CG2-CZ 3.97Å; I8-F36 WeakPolarHBondContact O-CZ 3.3Å; I8-I69 CarbonylContact C-O 3.4Å; I8-I69 WeakPolarHBondContact CA-O 3.2Å; I8-L71 HydrophobicContact CG2-CB 3.58Å; I8-L71 HydrophobicContact CG2-CD1 3.75Å; I8-L71 HydrophobicContact CG2-CG 4.34Å
9K89.8Confident84.4Confident104 Ų10475.2 Ų75.245%0.45239%0.393SS..EExtended strand (participates in β ladder)trans-101.5108.9179.2-170.5174.1-178.91770110.1E14 I68 I69 H70 L71K9-E14 HydrophobicContact CB-CG 4.29Å; K9-I68 HydrophobicContact CB-CG2 3.98Å; K9-I69 PolarHBondContact N-O 2.86Å; K9-H70 CarbonylContact O-C 3.53Å; K9-H70 WeakPolarHBondContact O-CA 3.27Å; K9-L71 PolarHBondContact O-N 2.99Å
10A86.7Confident84.4Confident9 Ų973.9 Ų73.97%0.07439%0.389CS..EExtended strand (participates in β ladder)trans-102.2162.9172.700000110.9R12 G13 F36 L71A10-R12 PolarHBondContact O-N 3.16Å; A10-R12 VanDerWaalsContact O-N 3.11Å; A10-G13 CarbonylContact C-O 3.54Å; A10-G13 WeakPolarHBondContact CA-O 3.36Å; A10-G13 WeakPolarHBondContact CB-O 3.38Å; A10-G13 PolarHBondContact N-O 3.08Å; A10-G13 PolarHBondContact O-N 2.95Å; A10-G13 VanDerWaalsContact O-N 3.13Å; A10-F36 HydrophobicContact CB-CD1 3.83Å; A10-F36 HydrophobicContact CB-CE1 3.31Å; A10-F36 HydrophobicContact CB-CZ 3.78Å; A10-L71 HydrophobicContact CB-CB 4.36Å; A10-L71 HydrophobicContact CB-CD2 3.86Å
11P82.1Confident84.2Confident110 Ų11071.4 Ų71.471%0.71438%0.378SS*.THydrogen-bonded Turntrans-56-27.2172.2-25.731.1000113.9L71P11-L71 WeakPolarHBondContact CD-O 3.34Å
12R79Confident85.5Confident226 Ų22664.8 Ų64.885%0.85335%0.354SS*.THydrogen-bonded Turntrans-94.4-0.5-178-72.8-174.5166.8171.9-4.8114.4A10A10-R12 PolarHBondContact O-N 3.16Å; A10-R12 VanDerWaalsContact O-N 3.11Å
13G84.3Confident85.9Confident35 Ų3561.3 Ų61.336%0.36133%0.329SS..EExtended strand (participates in β ladder)trans145.6178.5-178.900000113.1A10A10-G13 CarbonylContact C-O 3.54Å; A10-G13 WeakPolarHBondContact CA-O 3.36Å; A10-G13 WeakPolarHBondContact CB-O 3.38Å; A10-G13 PolarHBondContact N-O 3.08Å; A10-G13 PolarHBondContact O-N 2.95Å; A10-G13 VanDerWaalsContact O-N 3.13Å
14E88.3Confident86.1Confident78 Ų7857.9 Ų57.936%0.36431%0.313SS..EExtended strand (participates in β ladder)trans-118.1137-179.3-163.4-163.6121.800110.1R7 I8 K9R7-E14 IonicContact CZ-OE1 3.06Å; R7-E14 IonicContact CZ-OE2 3.86Å; R7-E14 IonicContact NE-OE1 2.62Å; R7-E14 PolarHBondContact NE-OE1 3.31Å; R7-E14 IonicContact NH2-OE1 2.71Å; R7-E14 PolarHBondContact NH2-OE1 3.23Å; R7-E14 IonicContact NH2-OE2 2.97Å; R7-E14 PolarHBondContact NH2-OE2 3.15Å; I8-E14 CarbonylContact O-C 3.58Å; I8-E14 VanDerWaalsContact O-CA 3.3Å; I8-E14 WeakPolarHBondContact O-CA 3.48Å; I8-E14 WeakPolarHBondContact O-CG 3.21Å; K9-E14 HydrophobicContact CB-CG 4.29Å
15K88Confident86.1Confident92 Ų9255.8 Ų55.840%0.430%0.304SS..EExtended strand (participates in β ladder)trans-135139.9175.5-66.3-171.5178.8-170.60109.9I8 A35 F36I8-K15 PolarHBondContact N-O 2.84Å; I8-K15 PolarHBondContact O-N 3.39Å; K15-A35 HydrophobicContact CB-CB 4.5Å; K15-A35 HydrophobicContact CD-CB 4.04Å; K15-A35 WeakPolarHBondContact CD-O 3.2Å; K15-A35 WeakPolarHBondContact CE-O 3.28Å; K15-A35 PolarHBondContact NZ-O 3.13Å; K15-F36 HydrophobicContact CB-CE2 4.01Å; K15-F36 HydrophobicContact CB-CZ 3.88Å; K15-F36 HydrophobicContact CD-CE1 4.36Å; K15-F36 HydrophobicContact CD-CE2 4.47Å; K15-F36 HydrophobicContact CD-CZ 4.33Å; K15-F36 HydrophobicContact CG-CE1 4.23Å; K15-F36 HydrophobicContact CG-CE2 4.38Å; K15-F36 HydrophobicContact CG-CZ 3.96Å
16T90.1Very high86Confident88 Ų8859.9 Ų59.954%0.5432%0.315SS..EExtended strand (participates in β ladder)trans-93.1126174.5-53.80000109.3L6L6-T16 CarbonylContact O-C 3.59Å; L6-T16 WeakPolarHBondContact O-CA 3.42Å
17V87.4Confident85.9Confident8 Ų864.8 Ų64.85%0.04834%0.338CS..EExtended strand (participates in β ladder)trans-112.2143.8173.9-62.30000109.8S5 L6 I8 V19 L28 E31 A35S5-V17 WeakPolarHBondContact CA-O 3.5Å; L6-V17 HydrophobicContact CB-CG2 4.21Å; L6-V17 PolarHBondContact N-O 3.24Å; L6-V17 PolarHBondContact O-N 3.43Å; I8-V17 HydrophobicContact CD1-CB 4.38Å; I8-V17 HydrophobicContact CD1-CG1 3.93Å; I8-V17 HydrophobicContact CD1-CG2 3.49Å; I8-V17 VanDerWaalsContact CD1-CG2 3.49Å; I8-V17 HydrophobicContact CG1-CG2 3.94Å; V17-V19 HydrophobicContact CG2-CG1 4.44Å; V17-L28 HydrophobicContact CG2-CD1 3.87Å; V17-E31 HydrophobicContact CB-CG 4.19Å; V17-E31 HydrophobicContact CG1-CG 4.31Å; V17-A35 HydrophobicContact CG1-CB 4Å
18S87Confident85.8Confident72 Ų7259.8 Ų59.850%0.50332%0.319SS..EExtended strand (participates in β ladder)trans-107.3114.9177.3-170.90000108.8F4F4-S18 WeakPolarHBondContact O-CA 3.44Å
19V85.8Confident85.6Confident5 Ų561.6 Ų61.63%0.0333%0.326CS..EExtended strand (participates in β ladder)trans-128.2148.1-177.6-65.80000110.8N3 F4 L6 V17 C23 L28 E31 I58N3-V19 CarbonylContact C-O 3.57Å; N3-V19 WeakPolarHBondContact CA-O 3.37Å; F4-V19 PolarHBondContact N-O 3.45Å; F4-V19 PolarHBondContact O-N 2.85Å; L6-V19 HydrophobicContact CD1-CG2 3.58Å; L6-V19 HydrophobicContact CG-CG2 4.22Å; V17-V19 HydrophobicContact CG2-CG1 4.44Å; V19-C23 HydrophobicContact CB-CB 4.39Å; V19-L28 HydrophobicContact CG1-CD1 3.93Å; V19-L28 HydrophobicContact CG2-CD1 4.15Å; V19-E31 HydrophobicContact CG1-CB 4.31Å; V19-E31 HydrophobicContact CG1-CG 4.34Å; V19-I58 HydrophobicContact CG2-CD1 3.62Å
20P84.8Confident85.5Confident49 Ų4960 Ų6032%0.31832%0.322SS..EExtended strand (participates in β ladder)trans-65.5150.317623-27.8000111.5S22 C23P20-S22 PolarHBondContact O-N 2.8Å; P20-S22 VanDerWaalsContact O-N 3.15Å; P20-C23 HydrophobicContact CG-CB 4Å; P20-C23 WeakPolarHBondContact O-CB 3.35Å; P20-C23 PolarHBondContact O-N 2.98Å; P20-C23 VanDerWaalsContact O-N 3.12Å
21S80.1Confident85.5Confident22 Ų2263 Ų6315%0.15434%0.335CS..THydrogen-bonded Turntrans-60-27.8-176.3610000114.5S2 E59S2-S21 WeakPolarHBondContact O-CB 3.37Å; S2-S21 PolarHBondContact O-N 2.81Å; S21-E59 WeakPolarHBondContact O-CG 3.3Å
22S81.4Confident85.7Confident78 Ų7857.8 Ų57.855%0.54530%0.301SS..THydrogen-bonded Turntrans-93.212.8-179.262.50000113.9P20P20-S22 PolarHBondContact O-N 2.8Å; P20-S22 VanDerWaalsContact O-N 3.15Å
23C83.4Confident86Confident5 Ų547.9 Ų47.93%0.03427%0.266CS..  trans-72.1145.6-175.1-162.40000111.5V19 P20 E27 I58V19-C23 HydrophobicContact CB-CB 4.39Å; P20-C23 HydrophobicContact CG-CB 4Å; P20-C23 WeakPolarHBondContact O-CB 3.35Å; P20-C23 PolarHBondContact O-N 2.98Å; P20-C23 VanDerWaalsContact O-N 3.12Å; C23-E27 WeakPolarHBondContact SG-CB 3.37Å; C23-E27 PolarHBondContact SG-OE2 2.82Å; C23-I58 HydrophobicContact CB-CD1 3.83Å; C23-I58 WeakPolarHBondContact O-CG1 3.45Å; C23-I58 PolarHBondContact O-N 2.88Å
24S87.4Confident86.1Confident31 Ų3152 Ų5222%0.21727%0.274CS..BIsolated β-bridgetrans-78.1155.7172.261.60000111.1K26 E27 L28S24-K26 PolarHBondContact O-N 3.4Å; S24-E27 PolarHBondContact N-OE2 3.37Å; S24-E27 PolarHBondContact O-N 3.3Å; S24-E27 VanDerWaalsContact O-N 3.15Å; S24-E27 WeakPolarHBondContact OG-CG 3.49Å; S24-E27 PolarHBondContact OG-N 3.18Å; S24-E27 PolarHBondContact OG-OE2 2.97Å; S24-L28 PolarHBondContact O-N 3.39Å
25V86.5Confident86Confident0 Ų049.4 Ų49.40%027%0.266CS..Hα-helixtrans-58.7-30.4172.8168.70000111.4L28 R29 L45 L52 K53 D56 L61V25-L28 PolarHBondContact O-N 3.3Å; V25-R29 VanDerWaalsContact O-CB 3.26Å; V25-R29 WeakPolarHBondContact O-CB 3.48Å; V25-R29 PolarHBondContact O-N 3.49Å; V25-L45 HydrophobicContact CG1-CD1 4.21Å; V25-L52 HydrophobicContact CG1-CB 3.7Å; V25-L52 HydrophobicContact CG2-CB 4.03Å; V25-L52 HydrophobicContact CG2-CD1 4.25Å; V25-K53 WeakPolarHBondContact CB-O 3.38Å; V25-K53 WeakPolarHBondContact CG1-O 3.48Å; V25-D56 HydrophobicContact CG2-CB 3.99Å; V25-D56 VanDerWaalsContact CG2-O 3.29Å; V25-D56 WeakPolarHBondContact CG2-O 3.47Å; V25-D56 PolarHBondContact N-O 3.33Å; V25-L61 HydrophobicContact CG2-CD1 3.61Å
26K85.4Confident85.7Confident139 Ų13946.2 Ų46.260%0.60425%0.252SS*.Hα-helixtrans-60.1-46.8174.8-175-179.9177.1179.20112.5S24 R29 D30 D54S24-K26 PolarHBondContact O-N 3.4Å; K26-R29 WeakPolarHBondContact O-CB 3.43Å; K26-R29 PolarHBondContact O-N 2.93Å; K26-D30 PolarHBondContact O-N 3.31Å; K26-D54 HydrophobicContact CB-CB 4.14Å
27E86.8Confident85.4Confident104 Ų10450.4 Ų50.449%0.48627%0.266SS..Hα-helixtrans-69.6-39177.1-72.9173.2126.800111.7C23 S24 R29 D30 E31C23-E27 WeakPolarHBondContact SG-CB 3.37Å; C23-E27 PolarHBondContact SG-OE2 2.82Å; S24-E27 PolarHBondContact N-OE2 3.37Å; S24-E27 PolarHBondContact O-N 3.3Å; S24-E27 VanDerWaalsContact O-N 3.15Å; S24-E27 WeakPolarHBondContact OG-CG 3.49Å; S24-E27 PolarHBondContact OG-N 3.18Å; S24-E27 PolarHBondContact OG-OE2 2.97Å; E27-R29 VanDerWaalsContact C-N 3.26Å; E27-R29 PolarHBondContact O-N 2.75Å; E27-D30 WeakPolarHBondContact O-CB 3.46Å; E27-D30 PolarHBondContact O-N 3.39Å; E27-E31 PolarHBondContact O-N 3.4Å
28L86.7Confident85.1Confident0 Ų051 Ų510%027%0.27CS..Hα-helixtrans-59.5-38.8171176.465.4000111.5L6 I8 V17 V19 S24 V25 E31 A32 L45 I69L6-L28 HydrophobicContact CD1-CD1 3.89Å; L6-L28 HydrophobicContact CD1-CD2 4.27Å; I8-L28 HydrophobicContact CD1-CD1 4.37Å; V17-L28 HydrophobicContact CG2-CD1 3.87Å; V19-L28 HydrophobicContact CG1-CD1 3.93Å; V19-L28 HydrophobicContact CG2-CD1 4.15Å; S24-L28 PolarHBondContact O-N 3.39Å; V25-L28 PolarHBondContact O-N 3.3Å; L28-E31 PolarHBondContact O-N 3.32Å; L28-A32 VanDerWaalsContact O-CB 3.29Å; L28-A32 WeakPolarHBondContact O-CB 3.27Å; L28-A32 PolarHBondContact O-N 2.97Å; L28-L45 HydrophobicContact CD2-CD1 4.04Å; L28-L45 HydrophobicContact CG-CD1 4.02Å; L28-I69 HydrophobicContact CD2-CD1 3.64Å
29R87Confident84.9Confident38 Ų3850.8 Ų50.814%0.14327%0.267CS..Hα-helixtrans-68.1-37.4176.2-167.3-175.9-63.5173.41.1111.5V25 K26 E27 A32 S33 S40 L43 L45 L52 D54V25-R29 VanDerWaalsContact O-CB 3.26Å; V25-R29 WeakPolarHBondContact O-CB 3.48Å; V25-R29 PolarHBondContact O-N 3.49Å; K26-R29 WeakPolarHBondContact O-CB 3.43Å; K26-R29 PolarHBondContact O-N 2.93Å; E27-R29 VanDerWaalsContact C-N 3.26Å; E27-R29 PolarHBondContact O-N 2.75Å; R29-A32 PolarHBondContact O-N 3.3Å; R29-S33 VanDerWaalsContact O-CB 3.3Å; R29-S33 WeakPolarHBondContact O-CB 3.47Å; R29-S33 PolarHBondContact O-N 3.42Å; R29-S40 VanDerWaalsContact CD-O 3.24Å; R29-S40 WeakPolarHBondContact CD-O 3.44Å; R29-L43 HydrophobicContact CG-CB 4.05Å; R29-L43 PolarHBondContact NE-O 3.49Å; R29-L45 HydrophobicContact CB-CD1 3.98Å; R29-L45 HydrophobicContact CG-CD1 4.41Å; R29-L52 PolarHBondContact NH2-O 2.87Å; R29-D54 VanDerWaalsContact CZ-CG 3.43Å; R29-D54 IonicContact CZ-OD1 3.2Å; R29-D54 IonicContact CZ-OD2 2.82Å; R29-D54 IonicContact NE-OD1 2.74Å; R29-D54 PolarHBondContact NE-OD1 2.81Å; R29-D54 IonicContact NH1-OD1 3.14Å; R29-D54 PolarHBondContact NH1-OD1 2.85Å; R29-D54 IonicContact NH1-OD2 2.94Å; R29-D54 PolarHBondContact NH1-OD2 2.9Å; R29-D54 IonicContact NH2-OD1 2.87Å; R29-D54 PolarHBondContact NH2-OD1 3.23Å; R29-D54 IonicContact NH2-OD2 2.83Å; R29-D54 PolarHBondContact NH2-OD2 3.35Å
30D87.6Confident84.8Confident70 Ų7052.8 Ų52.837%0.37428%0.281SS..Hα-helixtrans-63.1-45.9172.7-168.7-99.5000111.2K26 E27 A32 S33 K34K26-D30 PolarHBondContact O-N 3.31Å; E27-D30 WeakPolarHBondContact O-CB 3.46Å; E27-D30 PolarHBondContact O-N 3.39Å; D30-A32 PolarHBondContact O-N 2.86Å; D30-S33 WeakPolarHBondContact O-CB 3.47Å; D30-S33 PolarHBondContact O-N 2.84Å; D30-S33 VanDerWaalsContact O-N 3.08Å; D30-S33 PolarHBondContact O-OG 2.83Å; D30-K34 PolarHBondContact O-N 3.18Å; D30-K34 WeakPolarHBondContact OD1-CE 3.38Å; D30-K34 IonicContact OD1-NZ 3.32Å; D30-K34 PolarHBondContact OD1-NZ 3.31Å
31E86.1Confident84.5Confident73 Ų7358 Ų5834%0.34130%0.301SS..Hα-helixtrans-66.9-37.8177.9-158.758.3-153.500112.1V17 V19 E27 L28 S33 K34 A35V17-E31 HydrophobicContact CB-CG 4.19Å; V17-E31 HydrophobicContact CG1-CG 4.31Å; V19-E31 HydrophobicContact CG1-CB 4.31Å; V19-E31 HydrophobicContact CG1-CG 4.34Å; E27-E31 PolarHBondContact O-N 3.4Å; L28-E31 PolarHBondContact O-N 3.32Å; E31-S33 VanDerWaalsContact C-N 3.32Å; E31-S33 PolarHBondContact O-N 2.91Å; E31-K34 PolarHBondContact O-N 2.88Å; E31-K34 IonicContact OE2-NZ 2.96Å; E31-K34 PolarHBondContact OE2-NZ 3.04Å; E31-K34 VanDerWaalsContact OE2-NZ 3.14Å; E31-A35 WeakPolarHBondContact O-CB 3.43Å; E31-A35 PolarHBondContact O-N 3.03Å
32A85.7Confident84.7Confident0 Ų062.4 Ų62.40%031%0.314CS..Hα-helixtrans-63.8-36.5170.400000112.1I8 L28 R29 D30 A35 F36 L43 L71I8-A32 HydrophobicContact CD1-CB 3.55Å; L28-A32 VanDerWaalsContact O-CB 3.29Å; L28-A32 WeakPolarHBondContact O-CB 3.27Å; L28-A32 PolarHBondContact O-N 2.97Å; R29-A32 PolarHBondContact O-N 3.3Å; D30-A32 PolarHBondContact O-N 2.86Å; A32-A35 PolarHBondContact O-N 3.23Å; A32-F36 WeakPolarHBondContact O-CB 3.31Å; A32-F36 WeakPolarHBondContact O-CD2 3.45Å; A32-F36 PolarHBondContact O-N 2.83Å; A32-L43 HydrophobicContact CB-CD1 4.43Å; A32-L71 HydrophobicContact CB-CD1 4.01Å
33S86.3Confident84.9Confident18 Ų1858.8 Ų58.813%0.12629%0.288CS..Hα-helixtrans-65-39.7178.181.50000112.4R29 D30 E31 E37 T38 L43R29-S33 VanDerWaalsContact O-CB 3.3Å; R29-S33 WeakPolarHBondContact O-CB 3.47Å; R29-S33 PolarHBondContact O-N 3.42Å; D30-S33 WeakPolarHBondContact O-CB 3.47Å; D30-S33 PolarHBondContact O-N 2.84Å; D30-S33 VanDerWaalsContact O-N 3.08Å; D30-S33 PolarHBondContact O-OG 2.83Å; E31-S33 VanDerWaalsContact C-N 3.32Å; E31-S33 PolarHBondContact O-N 2.91Å; S33-E37 WeakPolarHBondContact O-CA 3.49Å; S33-E37 PolarHBondContact O-N 2.84Å; S33-T38 WeakPolarHBondContact CA-O 3.29Å; S33-T38 WeakPolarHBondContact CB-O 3.49Å; S33-T38 PolarHBondContact O-N 3.46Å; S33-L43 VanDerWaalsContact CA-CD1 3.49Å
34K86.9Confident85.1Confident121 Ų12161 Ų6153%0.52630%0.3SS..Hα-helixtrans-66.2-44.5171.9-65.5174.2-164.6140.40111.1D30 E31D30-K34 PolarHBondContact O-N 3.18Å; D30-K34 WeakPolarHBondContact OD1-CE 3.38Å; D30-K34 IonicContact OD1-NZ 3.32Å; D30-K34 PolarHBondContact OD1-NZ 3.31Å; E31-K34 PolarHBondContact O-N 2.88Å; E31-K34 IonicContact OE2-NZ 2.96Å; E31-K34 PolarHBondContact OE2-NZ 3.04Å; E31-K34 VanDerWaalsContact OE2-NZ 3.14Å
35A85Confident85.2Confident24 Ų2459.6 Ų59.620%0.19829%0.289CS..Hα-helixtrans-65.1-41.1-179.900000112.2K15 V17 E31 A32K15-A35 HydrophobicContact CB-CB 4.5Å; K15-A35 HydrophobicContact CD-CB 4.04Å; K15-A35 WeakPolarHBondContact CD-O 3.2Å; K15-A35 WeakPolarHBondContact CE-O 3.28Å; K15-A35 PolarHBondContact NZ-O 3.13Å; V17-A35 HydrophobicContact CG1-CB 4Å; E31-A35 WeakPolarHBondContact O-CB 3.43Å; E31-A35 PolarHBondContact O-N 3.03Å; A32-A35 PolarHBondContact O-N 3.23Å
36F83Confident85.4Confident25 Ų2561.8 Ų61.811%0.1130%0.301CS..Hα-helixtrans-99.16.8-176.2-73.3-85.5000114.6I8 A10 K15 A32 T38 L71I8-F36 HydrophobicContact CB-CE2 3.83Å; I8-F36 HydrophobicContact CB-CZ 4.31Å; I8-F36 HydrophobicContact CG2-CD2 4.37Å; I8-F36 HydrophobicContact CG2-CE2 3.46Å; I8-F36 VanDerWaalsContact CG2-CE2 3.46Å; I8-F36 HydrophobicContact CG2-CZ 3.97Å; I8-F36 WeakPolarHBondContact O-CZ 3.3Å; A10-F36 HydrophobicContact CB-CD1 3.83Å; A10-F36 HydrophobicContact CB-CE1 3.31Å; A10-F36 HydrophobicContact CB-CZ 3.78Å; K15-F36 HydrophobicContact CB-CE2 4.01Å; K15-F36 HydrophobicContact CB-CZ 3.88Å; K15-F36 HydrophobicContact CD-CE1 4.36Å; K15-F36 HydrophobicContact CD-CE2 4.47Å; K15-F36 HydrophobicContact CD-CZ 4.33Å; K15-F36 HydrophobicContact CG-CE1 4.23Å; K15-F36 HydrophobicContact CG-CE2 4.38Å; K15-F36 HydrophobicContact CG-CZ 3.96Å; A32-F36 WeakPolarHBondContact O-CB 3.31Å; A32-F36 WeakPolarHBondContact O-CD2 3.45Å; A32-F36 PolarHBondContact O-N 2.83Å; F36-T38 PolarHBondContact O-N 3.45Å; F36-T38 VanDerWaalsContact O-N 3.15Å; F36-T38 PolarHBondContact O-OG1 3.09Å; F36-L71 HydrophobicContact CD2-CD1 3.81Å; F36-L71 HydrophobicContact CE2-CD1 4.12Å; F36-L71 HydrophobicContact CG-CD1 4.35Å
37E83.6Confident85.5Confident176 Ų17656.8 Ų56.882%0.82228%0.279SS*.THydrogen-bonded Turntrans49.539.6179.9-61.9174.598.300112.8S33S33-E37 WeakPolarHBondContact O-CA 3.49Å; S33-E37 PolarHBondContact O-N 2.84Å
38T79.8Confident85.3Confident21 Ų2155.4 Ų55.413%0.12929%0.293CS..SBendtrans-133.4134.4-174.1-59.20000109.1S33 F36 S40 R42 L43 I73S33-T38 WeakPolarHBondContact CA-O 3.29Å; S33-T38 WeakPolarHBondContact CB-O 3.49Å; S33-T38 PolarHBondContact O-N 3.46Å; F36-T38 PolarHBondContact O-N 3.45Å; F36-T38 VanDerWaalsContact O-N 3.15Å; F36-T38 PolarHBondContact O-OG1 3.09Å; T38-S40 PolarHBondContact O-N 3.07Å; T38-R42 HydrophobicContact CG2-CB 4.25Å; T38-L43 HydrophobicContact CG2-CD2 3.68Å; T38-L43 HydrophobicContact CG2-CG 4.26Å; T38-I73 HydrophobicContact CG2-CD1 4.3Å; T38-I73 HydrophobicContact CG2-CG1 4.37Å; T38-I73 HydrophobicContact CG2-CG2 3.87Å
39P83.1Confident85.1Confident68 Ų6859 Ų5944%0.44233%0.33SS..  trans-58137.1-178.323-34.3000111.8E41 R42P39-E41 PolarHBondContact O-N 2.96Å; P39-E41 VanDerWaalsContact O-N 3.13Å; P39-R42 HydrophobicContact CG-CB 4.43Å; P39-R42 HydrophobicContact CG-CG 4.04Å; P39-R42 PolarHBondContact O-N 3.1Å
40S83.2Confident85Confident46 Ų4664.3 Ų64.332%0.32235%0.354SS..G310 helixtrans-56.2-30.3-176.752.50000113.2R29 T38 R42 L43R29-S40 VanDerWaalsContact CD-O 3.24Å; R29-S40 WeakPolarHBondContact CD-O 3.44Å; T38-S40 PolarHBondContact O-N 3.07Å; S40-R42 PolarHBondContact O-N 2.98Å; S40-L43 PolarHBondContact O-N 3.15Å; S40-L43 VanDerWaalsContact O-N 3.08Å
41E80.3Confident85.1Confident158 Ų15866.3 Ų66.374%0.73836%0.364SS*.G310 helixtrans-61-26.5175.8-64177.517200113.8P39P39-E41 PolarHBondContact O-N 2.96Å; P39-E41 VanDerWaalsContact O-N 3.13Å
42R83.5Confident85.1Confident115 Ų11563 Ų6343%0.43435%0.349SS..G310 helixtrans-92.2-8179.3-64.2-174.1-176169.41.4112.5T38 P39 S40 I73 S74T38-R42 HydrophobicContact CG2-CB 4.25Å; P39-R42 HydrophobicContact CG-CB 4.43Å; P39-R42 HydrophobicContact CG-CG 4.04Å; P39-R42 PolarHBondContact O-N 3.1Å; S40-R42 PolarHBondContact O-N 2.98Å; R42-I73 HydrophobicContact CB-CG2 4.19Å; R42-I73 CarbonylContact O-C 3.58Å; R42-I73 WeakPolarHBondContact O-CA 3.29Å; R42-S74 WeakPolarHBondContact CB-O 3.06Å; R42-S74 WeakPolarHBondContact CG-O 3.48Å; R42-S74 PolarHBondContact O-N 2.72Å
43L85.9Confident85.1Confident2 Ų269.4 Ų69.41%0.0138%0.376CS..EExtended strand (participates in β ladder)trans-94.9116-172.5-63.9-175.7000111.2R29 A32 S33 T38 S40 L71 I73R29-L43 HydrophobicContact CG-CB 4.05Å; R29-L43 PolarHBondContact NE-O 3.49Å; A32-L43 HydrophobicContact CB-CD1 4.43Å; S33-L43 VanDerWaalsContact CA-CD1 3.49Å; T38-L43 HydrophobicContact CG2-CD2 3.68Å; T38-L43 HydrophobicContact CG2-CG 4.26Å; S40-L43 PolarHBondContact O-N 3.15Å; S40-L43 VanDerWaalsContact O-N 3.08Å; L43-L71 HydrophobicContact CD1-CD1 4.2Å; L43-L71 HydrophobicContact CD2-CD1 3.96Å; L43-L71 HydrophobicContact CD2-CD2 3.66Å; L43-L71 HydrophobicContact CD2-CG 4.03Å; L43-L71 HydrophobicContact CG-CD1 4.49Å; L43-I73 HydrophobicContact CD2-CG1 3.95Å
44I87.8Confident84.9Confident53 Ų5371.6 Ų71.627%0.27239%0.387SS..EExtended strand (participates in β ladder)trans-104.5115.1173.4-56.4179000107.9I46 I51 L71 V72I44-I46 HydrophobicContact CG2-CG1 4.2Å; I44-I51 HydrophobicContact CG2-CG1 4.28Å; I44-I51 HydrophobicContact CG2-CG2 3.58Å; I44-L71 CarbonylContact O-C 3.57Å; I44-L71 WeakPolarHBondContact O-CA 3.48Å; I44-V72 HydrophobicContact CB-CB 4.43Å; I44-V72 PolarHBondContact N-O 3.5Å; I44-V72 PolarHBondContact O-N 3.13Å
45L88.6Confident84.7Confident0 Ų074.1 Ų74.10%040%0.4CS..EExtended strand (participates in β ladder)trans-91.5133.7175.6-66.1169.5000109.9V25 L28 R29 L52 I69 H70 L71V25-L45 HydrophobicContact CG1-CD1 4.21Å; L28-L45 HydrophobicContact CD2-CD1 4.04Å; L28-L45 HydrophobicContact CG-CD1 4.02Å; R29-L45 HydrophobicContact CB-CD1 3.98Å; R29-L45 HydrophobicContact CG-CD1 4.41Å; L45-L52 HydrophobicContact CB-CB 4.19Å; L45-L52 HydrophobicContact CB-CD1 4.08Å; L45-L52 HydrophobicContact CB-CG 4.34Å; L45-L52 PolarHBondContact O-N 3.34Å; L45-I69 HydrophobicContact CB-CG2 4.11Å; L45-I69 HydrophobicContact CD2-CG2 3.9Å; L45-H70 CarbonylContact C-O 3.36Å; L45-L71 HydrophobicContact CD2-CB 4.18Å; L45-L71 HydrophobicContact CD2-CD1 4.16Å; L45-L71 HydrophobicContact CD2-CG 4.37Å
46I90.3Very high84.6Confident46 Ų4674.8 Ų74.824%0.23640%0.401CS..EExtended strand (participates in β ladder)trans-129.4124.7-175.5-52.6175.7000108.9I44 K50 I51 H70 V72I44-I46 HydrophobicContact CG2-CG1 4.2Å; I46-K50 WeakPolarHBondContact CA-O 3.28Å; I46-I51 HydrophobicContact CG1-CG1 4.27Å; I46-H70 HydrophobicContact CB-CB 4.21Å; I46-H70 PolarHBondContact N-O 3.36Å; I46-H70 PolarHBondContact O-N 2.89Å; I46-V72 HydrophobicContact CD1-CG2 3.73Å
47F88.6Confident84.7Confident34 Ų3476 Ų7615%0.14941%0.41CS..EExtended strand (participates in β ladder)trans-136.6130.9178.1-178.3-104.2000110.5G49 K50 L52 I63 F67 I68 I69F47-G49 PolarHBondContact O-N 3.32Å; F47-G49 VanDerWaalsContact O-N 3.17Å; F47-K50 PolarHBondContact N-O 2.77Å; F47-K50 PolarHBondContact O-N 2.89Å; F47-L52 HydrophobicContact CB-CD1 4Å; F47-L52 HydrophobicContact CB-CD2 3.94Å; F47-L52 HydrophobicContact CB-CG 4.16Å; F47-I63 HydrophobicContact CD1-CD1 4.1Å; F47-I63 HydrophobicContact CD1-CG1 3.58Å; F47-I63 HydrophobicContact CD2-CG1 4.29Å; F47-I63 HydrophobicContact CE1-CG1 3.51Å; F47-I63 HydrophobicContact CE2-CG1 4.24Å; F47-I63 HydrophobicContact CG-CD1 4.19Å; F47-I63 HydrophobicContact CG-CG1 3.97Å; F47-I63 HydrophobicContact CZ-CG1 3.85Å; F47-F67 HydrophobicContact CE2-CB 3.97Å; F47-F67 AromaticContact CE2-CD1 3.57Å; F47-F67 HydrophobicContact CE2-CD1 3.57Å; F47-F67 HydrophobicContact CE2-CG 4.22Å; F47-F67 HydrophobicContact CZ-CB 4.42Å; F47-F67 AromaticContact CZ-CD1 3.4Å; F47-F67 HydrophobicContact CZ-CD1 3.4Å; F47-F67 VanDerWaalsContact CZ-CD1 3.4Å; F47-F67 HydrophobicContact CZ-CE1 4.02Å; F47-F67 HydrophobicContact CZ-CG 4.26Å; F47-I68 WeakPolarHBondContact CD2-O 3.18Å; F47-I69 HydrophobicContact CD2-CG1 3.98Å
48G82.2Confident84.7Confident75 Ų7567.6 Ų67.677%0.77337%0.371SS*.THydrogen-bonded Turntrans56.930.9179.900000114.5K50G48-K50 VanDerWaalsContact C-N 3.28Å; G48-K50 PolarHBondContact O-N 3.48Å
49G82.4Confident84.7Confident77 Ų7772.6 Ų72.679%0.79439%0.393SS*.THydrogen-bonded Turntrans78.62.3-177.100000115.2F47F47-G49 PolarHBondContact O-N 3.32Å; F47-G49 VanDerWaalsContact O-N 3.17Å
50K84.7Confident84.7Confident149 Ų14975.9 Ų75.965%0.64840%0.402SS*.EExtended strand (participates in β ladder)trans-107.5137.7176.1-63.1-176.4-179.7-1780110.6I46 F47 G48I46-K50 WeakPolarHBondContact CA-O 3.28Å; F47-K50 PolarHBondContact N-O 2.77Å; F47-K50 PolarHBondContact O-N 2.89Å; G48-K50 VanDerWaalsContact C-N 3.28Å; G48-K50 PolarHBondContact O-N 3.48Å
51I89.4Confident84.4Confident112 Ų11275.4 Ų75.457%0.57440%0.396SS*.EExtended strand (participates in β ladder)trans-75.1124.8170.3-62.6170000107.9I44 I46I44-I51 HydrophobicContact CG2-CG1 4.28Å; I44-I51 HydrophobicContact CG2-CG2 3.58Å; I46-I51 HydrophobicContact CG1-CG1 4.27Å
52L86.5Confident84.5Confident3 Ų376.2 Ų76.22%0.01640%0.397CS..PPolyproline II helixtrans-79.1126.1-178.6-56.7-173.3000110.5V25 R29 L45 F47 L61 I63 I69V25-L52 HydrophobicContact CG1-CB 3.7Å; V25-L52 HydrophobicContact CG2-CB 4.03Å; V25-L52 HydrophobicContact CG2-CD1 4.25Å; R29-L52 PolarHBondContact NH2-O 2.87Å; L45-L52 HydrophobicContact CB-CB 4.19Å; L45-L52 HydrophobicContact CB-CD1 4.08Å; L45-L52 HydrophobicContact CB-CG 4.34Å; L45-L52 PolarHBondContact O-N 3.34Å; F47-L52 HydrophobicContact CB-CD1 4Å; F47-L52 HydrophobicContact CB-CD2 3.94Å; F47-L52 HydrophobicContact CB-CG 4.16Å; L52-L61 HydrophobicContact CD1-CD1 4.11Å; L52-L61 HydrophobicContact CD2-CD1 3.45Å; L52-L61 VanDerWaalsContact CD2-CD1 3.45Å; L52-L61 HydrophobicContact CD2-CD2 3.56Å; L52-L61 HydrophobicContact CD2-CG 4.08Å; L52-L61 HydrophobicContact CG-CD1 4.24Å; L52-I63 HydrophobicContact CD1-CD1 4.12Å; L52-I69 HydrophobicContact CD1-CG2 4.44Å
53K85.9Confident84.5Confident135 Ų13571 Ų7159%0.58738%0.377SS*.PPolyproline II helixtrans-90.6154.3176.2-63.1-177.8179.9-176.20110.3V25 E55 D56V25-K53 WeakPolarHBondContact CB-O 3.38Å; V25-K53 WeakPolarHBondContact CG1-O 3.48Å; K53-E55 PolarHBondContact O-N 3.12Å; K53-E55 VanDerWaalsContact O-N 3.12Å; K53-D56 PolarHBondContact N-OD2 3.4Å; K53-D56 PolarHBondContact O-N 3.42Å; K53-D56 VanDerWaalsContact O-N 3.11Å
54D82.5Confident84.3Confident64 Ų6477.5 Ų77.534%0.34241%0.406SS..THydrogen-bonded Turntrans-61.3-22.5-178.3-70.9-48.3000114K26 R29K26-D54 HydrophobicContact CB-CB 4.14Å; R29-D54 VanDerWaalsContact CZ-CG 3.43Å; R29-D54 IonicContact CZ-OD1 3.2Å; R29-D54 IonicContact CZ-OD2 2.82Å; R29-D54 IonicContact NE-OD1 2.74Å; R29-D54 PolarHBondContact NE-OD1 2.81Å; R29-D54 IonicContact NH1-OD1 3.14Å; R29-D54 PolarHBondContact NH1-OD1 2.85Å; R29-D54 IonicContact NH1-OD2 2.94Å; R29-D54 PolarHBondContact NH1-OD2 2.9Å; R29-D54 IonicContact NH2-OD1 2.87Å; R29-D54 PolarHBondContact NH2-OD1 3.23Å; R29-D54 IonicContact NH2-OD2 2.83Å; R29-D54 PolarHBondContact NH2-OD2 3.35Å
55E82.5Confident84.2Confident173 Ų17379.1 Ų79.181%0.80842%0.415SS*.THydrogen-bonded Turntrans-81.9-16.9-179.3-53.7-175.711200113.1K53K53-E55 PolarHBondContact O-N 3.12Å; K53-E55 VanDerWaalsContact O-N 3.12Å
56D83.4Confident83.9Confident39 Ų3981.2 Ų81.221%0.20944%0.437CS..  trans-78.3149.8-179.4-63.9-42.3000110.8V25 K53 L61V25-D56 HydrophobicContact CG2-CB 3.99Å; V25-D56 VanDerWaalsContact CG2-O 3.29Å; V25-D56 WeakPolarHBondContact CG2-O 3.47Å; V25-D56 PolarHBondContact N-O 3.33Å; K53-D56 PolarHBondContact N-OD2 3.4Å; K53-D56 PolarHBondContact O-N 3.42Å; K53-D56 VanDerWaalsContact O-N 3.11Å; D56-L61 HydrophobicContact CB-CD1 3.73Å; D56-L61 HydrophobicContact CB-CD2 4.34Å; D56-L61 HydrophobicContact CB-CG 4.06Å
57T85.1Confident83.9Confident50 Ų5083.1 Ų83.131%0.30744%0.443SS..BIsolated β-bridgetrans-106.4152.4173.357.30000111.3E59 Q60 L61T57-E59 PolarHBondContact O-N 3.39Å; T57-Q60 PolarHBondContact O-N 3.48Å; T57-Q60 VanDerWaalsContact O-N 3.14Å; T57-Q60 VanDerWaalsContact OG1-CB 3.3Å; T57-Q60 WeakPolarHBondContact OG1-CB 3.4Å; T57-Q60 PolarHBondContact OG1-N 3.26Å; T57-L61 WeakPolarHBondContact O-CG 3.42Å; T57-L61 PolarHBondContact O-N 3.44Å; T57-L61 VanDerWaalsContact O-N 3.09Å
58I83.4Confident83.9Confident0 Ų084.9 Ų84.90%045%0.454CS..THydrogen-bonded Turntrans-56.5-37177.3-65.2179.3000111F4 L6 V19 C23 L61 K62 I63F4-I58 HydrophobicContact CD2-CG2 3.98Å; F4-I58 HydrophobicContact CE2-CG2 4.24Å; L6-I58 HydrophobicContact CD1-CD1 4.12Å; V19-I58 HydrophobicContact CG2-CD1 3.62Å; C23-I58 HydrophobicContact CB-CD1 3.83Å; C23-I58 WeakPolarHBondContact O-CG1 3.45Å; C23-I58 PolarHBondContact O-N 2.88Å; I58-L61 PolarHBondContact O-N 3.22Å; I58-K62 PolarHBondContact O-N 3.4Å; I58-I63 HydrophobicContact CG2-CB 3.7Å; I58-I63 HydrophobicContact CG2-CG2 3.96Å; I58-I63 PolarHBondContact O-N 3.2Å; I58-I63 VanDerWaalsContact O-N 3.09Å
59E80.1Confident84.3Confident126 Ų12681.3 Ų81.359%0.58942%0.417SS*.THydrogen-bonded Turntrans-65.1-45.3176.8-62.5-170.3168.300112.4S21 T57 L61 K62S21-E59 WeakPolarHBondContact O-CG 3.3Å; T57-E59 PolarHBondContact O-N 3.39Å; E59-L61 VanDerWaalsContact C-N 3.29Å; E59-L61 PolarHBondContact O-N 3.35Å; E59-K62 PolarHBondContact O-N 2.96Å; E59-K62 VanDerWaalsContact O-N 3.08Å
60Q82.2Confident84.7Confident136 Ų13682.1 Ų82.164%0.63640%0.4SS*.THydrogen-bonded Turntrans-65.5-34.5179.8-172.3172.82.300112.2T57 K62T57-Q60 PolarHBondContact O-N 3.48Å; T57-Q60 VanDerWaalsContact O-N 3.14Å; T57-Q60 VanDerWaalsContact OG1-CB 3.3Å; T57-Q60 WeakPolarHBondContact OG1-CB 3.4Å; T57-Q60 PolarHBondContact OG1-N 3.26Å; Q60-K62 PolarHBondContact O-N 3.3Å
61L77.7Confident84.8Confident36 Ų3675.1 Ų75.119%0.18837%0.369CS..THydrogen-bonded Turntrans-79.5-1.6176.9-66162.4000113.2V25 L52 D56 T57 I58 E59 I63V25-L61 HydrophobicContact CG2-CD1 3.61Å; L52-L61 HydrophobicContact CD1-CD1 4.11Å; L52-L61 HydrophobicContact CD2-CD1 3.45Å; L52-L61 VanDerWaalsContact CD2-CD1 3.45Å; L52-L61 HydrophobicContact CD2-CD2 3.56Å; L52-L61 HydrophobicContact CD2-CG 4.08Å; L52-L61 HydrophobicContact CG-CD1 4.24Å; D56-L61 HydrophobicContact CB-CD1 3.73Å; D56-L61 HydrophobicContact CB-CD2 4.34Å; D56-L61 HydrophobicContact CB-CG 4.06Å; T57-L61 WeakPolarHBondContact O-CG 3.42Å; T57-L61 PolarHBondContact O-N 3.44Å; T57-L61 VanDerWaalsContact O-N 3.09Å; I58-L61 PolarHBondContact O-N 3.22Å; E59-L61 VanDerWaalsContact C-N 3.29Å; E59-L61 PolarHBondContact O-N 3.35Å; L61-I63 HydrophobicContact CB-CD1 3.74Å; L61-I63 HydrophobicContact CB-CG1 3.82Å; L61-I63 HydrophobicContact CD1-CD1 3.92Å; L61-I63 PolarHBondContact O-N 3.31Å
62K82.3Confident84.8Confident175 Ų17572.8 Ų72.876%0.76136%0.36SS*.THydrogen-bonded Turntrans53.331.8-176-60-176.8177.3179.60113.1I58 E59 Q60 K64I58-K62 PolarHBondContact O-N 3.4Å; E59-K62 PolarHBondContact O-N 2.96Å; E59-K62 VanDerWaalsContact O-N 3.08Å; Q60-K62 PolarHBondContact O-N 3.3Å; K62-K64 PolarHBondContact O-N 2.66Å
63I82Confident84.7Confident5 Ų575.4 Ų75.43%0.02637%0.374CS..  trans-74.8122.7175.9-64.7166.7000107.3L6 F47 L52 I58 L61 F67 I69L6-I63 HydrophobicContact CD1-CG2 4.13Å; L6-I63 HydrophobicContact CD2-CG2 3.46Å; L6-I63 VanDerWaalsContact CD2-CG2 3.46Å; L6-I63 HydrophobicContact CG-CG2 4.47Å; F47-I63 HydrophobicContact CD1-CD1 4.1Å; F47-I63 HydrophobicContact CD1-CG1 3.58Å; F47-I63 HydrophobicContact CD2-CG1 4.29Å; F47-I63 HydrophobicContact CE1-CG1 3.51Å; F47-I63 HydrophobicContact CE2-CG1 4.24Å; F47-I63 HydrophobicContact CG-CD1 4.19Å; F47-I63 HydrophobicContact CG-CG1 3.97Å; F47-I63 HydrophobicContact CZ-CG1 3.85Å; L52-I63 HydrophobicContact CD1-CD1 4.12Å; I58-I63 HydrophobicContact CG2-CB 3.7Å; I58-I63 HydrophobicContact CG2-CG2 3.96Å; I58-I63 PolarHBondContact O-N 3.2Å; I58-I63 VanDerWaalsContact O-N 3.09Å; L61-I63 HydrophobicContact CB-CD1 3.74Å; L61-I63 HydrophobicContact CB-CG1 3.82Å; L61-I63 HydrophobicContact CD1-CD1 3.92Å; L61-I63 PolarHBondContact O-N 3.31Å; I63-F67 HydrophobicContact CG2-CB 4.4Å; I63-I69 HydrophobicContact CD1-CD1 4.16Å; I63-I69 HydrophobicContact CG2-CD1 4.42Å
64K81.9Confident84.3Confident140 Ų14070.4 Ų70.461%0.60936%0.356SS*.  trans-105.1169176.6-54-179.8175.3-178.30110.8L6 K62 G66 F67L6-K64 WeakPolarHBondContact CD2-O 3.25Å; K62-K64 PolarHBondContact O-N 2.66Å; K64-G66 PolarHBondContact O-N 3.21Å; K64-F67 HydrophobicContact CB-CD2 3.71Å; K64-F67 HydrophobicContact CB-CE2 3.56Å; K64-F67 HydrophobicContact CB-CZ 4.35Å; K64-F67 HydrophobicContact CD-CE2 4.13Å; K64-F67 HydrophobicContact CD-CZ 4.39Å; K64-F67 HydrophobicContact CG-CE2 4.1Å; K64-F67 HydrophobicContact CG-CZ 4.46Å; K64-F67 WeakPolarHBondContact O-CB 3.1Å; K64-F67 VanDerWaalsContact O-CD2 3.31Å; K64-F67 WeakPolarHBondContact O-CD2 3.39Å; K64-F67 PolarHBondContact O-N 3.08Å
65D86Confident83.5Confident87 Ų8777.2 Ų77.247%0.46538%0.382SS..THydrogen-bonded Turntrans-51.2135.9170.1-166.137000112.2F4 S5 F67F4-D65 WeakPolarHBondContact CA-OD1 3.33Å; F4-D65 HydrophobicContact CD1-CB 3.63Å; F4-D65 HydrophobicContact CE1-CB 4.2Å; F4-D65 HydrophobicContact CG-CB 4.37Å; S5-D65 WeakPolarHBondContact CA-OD1 3.47Å; S5-D65 WeakPolarHBondContact CB-OD1 3.21Å; S5-D65 PolarHBondContact N-OD1 2.87Å; D65-F67 VanDerWaalsContact C-N 3.33Å; D65-F67 PolarHBondContact O-N 3.05Å
66G83.6Confident82Confident44 Ų4475.5 Ų75.545%0.45437%0.374SS..THydrogen-bonded Turntrans81.6-0.2178.100000116S5 K64S5-G66 VanDerWaalsContact O-CA 3.28Å; S5-G66 WeakPolarHBondContact O-CA 3.1Å; S5-G66 PolarHBondContact O-N 3.47Å; K64-G66 PolarHBondContact O-N 3.21Å
67F89.3Confident80Confident86 Ų8681.9 Ų81.938%0.37740%0.403SS..  trans-73.3155.2179.5-84.1-117000112.4R7 F47 I63 K64 D65R7-F67 PolarHBondContact N-O 2.73Å; F47-F67 HydrophobicContact CE2-CB 3.97Å; F47-F67 AromaticContact CE2-CD1 3.57Å; F47-F67 HydrophobicContact CE2-CD1 3.57Å; F47-F67 HydrophobicContact CE2-CG 4.22Å; F47-F67 HydrophobicContact CZ-CB 4.42Å; F47-F67 AromaticContact CZ-CD1 3.4Å; F47-F67 HydrophobicContact CZ-CD1 3.4Å; F47-F67 VanDerWaalsContact CZ-CD1 3.4Å; F47-F67 HydrophobicContact CZ-CE1 4.02Å; F47-F67 HydrophobicContact CZ-CG 4.26Å; I63-F67 HydrophobicContact CG2-CB 4.4Å; K64-F67 HydrophobicContact CB-CD2 3.71Å; K64-F67 HydrophobicContact CB-CE2 3.56Å; K64-F67 HydrophobicContact CB-CZ 4.35Å; K64-F67 HydrophobicContact CD-CE2 4.13Å; K64-F67 HydrophobicContact CD-CZ 4.39Å; K64-F67 HydrophobicContact CG-CE2 4.1Å; K64-F67 HydrophobicContact CG-CZ 4.46Å; K64-F67 WeakPolarHBondContact O-CB 3.1Å; K64-F67 VanDerWaalsContact O-CD2 3.31Å; K64-F67 WeakPolarHBondContact O-CD2 3.39Å; K64-F67 PolarHBondContact O-N 3.08Å; D65-F67 VanDerWaalsContact C-N 3.33Å; D65-F67 PolarHBondContact O-N 3.05Å
68I89.6Confident77.6Confident71 Ų7187.8 Ų87.836%0.36443%0.427SS..EExtended strand (participates in β ladder)trans-101126.4-179.3-55.6172.9000109.9R7 K9 F47R7-I68 HydrophobicContact CB-CG1 4.11Å; R7-I68 CarbonylContact O-C 3.58Å; R7-I68 VanDerWaalsContact O-CA 3.25Å; R7-I68 WeakPolarHBondContact O-CA 3.48Å; K9-I68 HydrophobicContact CB-CG2 3.98Å; F47-I68 WeakPolarHBondContact CD2-O 3.18Å
69I89.8Confident75.6Confident0 Ų093.2 Ų93.20%046%0.462CS..EExtended strand (participates in β ladder)trans-111.7129.6174.4-59177000108L6 R7 I8 K9 L28 L45 F47 L52 I63L6-I69 HydrophobicContact CB-CD1 4.47Å; L6-I69 HydrophobicContact CD1-CD1 3.94Å; R7-I69 PolarHBondContact O-N 3.32Å; I8-I69 CarbonylContact C-O 3.4Å; I8-I69 WeakPolarHBondContact CA-O 3.2Å; K9-I69 PolarHBondContact N-O 2.86Å; L28-I69 HydrophobicContact CD2-CD1 3.64Å; L45-I69 HydrophobicContact CB-CG2 4.11Å; L45-I69 HydrophobicContact CD2-CG2 3.9Å; F47-I69 HydrophobicContact CD2-CG1 3.98Å; L52-I69 HydrophobicContact CD1-CG2 4.44Å; I63-I69 HydrophobicContact CD1-CD1 4.16Å; I63-I69 HydrophobicContact CG2-CD1 4.42Å
70H90.1Very high73.7Confident93 Ų9392.1 Ų92.143%0.43147%0.469SS..EExtended strand (participates in β ladder)trans-86.8133.5177-69.678.1000109.6K9 L45 I46K9-H70 CarbonylContact O-C 3.53Å; K9-H70 WeakPolarHBondContact O-CA 3.27Å; L45-H70 CarbonylContact C-O 3.36Å; I46-H70 HydrophobicContact CB-CB 4.21Å; I46-H70 PolarHBondContact N-O 3.36Å; I46-H70 PolarHBondContact O-N 2.89Å
71L88.5Confident71.7Confident2 Ų294.7 Ų94.71%0.0148%0.48CS..EExtended strand (participates in β ladder)trans-115.9128.1179.5176.2159.9000109.9I8 K9 A10 P11 A32 F36 L43 I44 L45 I73I8-L71 HydrophobicContact CG2-CB 3.58Å; I8-L71 HydrophobicContact CG2-CD1 3.75Å; I8-L71 HydrophobicContact CG2-CG 4.34Å; K9-L71 PolarHBondContact O-N 2.99Å; A10-L71 HydrophobicContact CB-CB 4.36Å; A10-L71 HydrophobicContact CB-CD2 3.86Å; P11-L71 WeakPolarHBondContact CD-O 3.34Å; A32-L71 HydrophobicContact CB-CD1 4.01Å; F36-L71 HydrophobicContact CD2-CD1 3.81Å; F36-L71 HydrophobicContact CE2-CD1 4.12Å; F36-L71 HydrophobicContact CG-CD1 4.35Å; L43-L71 HydrophobicContact CD1-CD1 4.2Å; L43-L71 HydrophobicContact CD2-CD1 3.96Å; L43-L71 HydrophobicContact CD2-CD2 3.66Å; L43-L71 HydrophobicContact CD2-CG 4.03Å; L43-L71 HydrophobicContact CG-CD1 4.49Å; I44-L71 CarbonylContact O-C 3.57Å; I44-L71 WeakPolarHBondContact O-CA 3.48Å; L45-L71 HydrophobicContact CD2-CB 4.18Å; L45-L71 HydrophobicContact CD2-CD1 4.16Å; L45-L71 HydrophobicContact CD2-CG 4.37Å; L71-I73 HydrophobicContact CD2-CG1 3.84Å
72V88.5Confident69.8Low64 Ų6499.6 Ų99.639%0.38851%0.512SS..EExtended strand (participates in β ladder)trans-117.7135.2176.5-177.60000109.3I44 I46I44-V72 HydrophobicContact CB-CB 4.43Å; I44-V72 PolarHBondContact N-O 3.5Å; I44-V72 PolarHBondContact O-N 3.13Å; I46-V72 HydrophobicContact CD1-CG2 3.73Å
73I84.6Confident67.8Low58 Ų5898.9 Ų98.930%0.29752%0.516SS..EExtended strand (participates in β ladder)trans-95.9109.1178.2-54.3174.3000108.6T38 R42 L43 L71T38-I73 HydrophobicContact CG2-CD1 4.3Å; T38-I73 HydrophobicContact CG2-CG1 4.37Å; T38-I73 HydrophobicContact CG2-CG2 3.87Å; R42-I73 HydrophobicContact CB-CG2 4.19Å; R42-I73 CarbonylContact O-C 3.58Å; R42-I73 WeakPolarHBondContact O-CA 3.29Å; L43-I73 HydrophobicContact CD2-CG1 3.95Å; L71-I73 HydrophobicContact CD2-CG1 3.84Å
74S76.7Confident65.7Low30 Ų30104 Ų10421%0.2155%0.55CS.*  trans-79141.7175-174.90000111.5R42 Q76R42-S74 WeakPolarHBondContact CB-O 3.06Å; R42-S74 WeakPolarHBondContact CG-O 3.48Å; R42-S74 PolarHBondContact O-N 2.72Å; S74-Q76 VanDerWaalsContact C-N 3.29Å; S74-Q76 PolarHBondContact O-N 2.98Å
75K65.8Low63.7Low207 Ų207104.4 Ų104.490%0.956%0.564SS**  trans-88.641.8178-67.9-172.2177-179.80112.7
76Q51.1Low61.5Low137 Ų137104 Ų10464%0.6458%0.58SS**PPolyproline II helixtrans-78.5133.1-176.5-99.8168.5-22.800113.9S74S74-Q76 VanDerWaalsContact C-N 3.29Å; S74-Q76 PolarHBondContact O-N 2.98Å
77Q41.9Very low59.3Low172 Ų172108.4 Ų108.480%0.80460%0.598SS**PPolyproline II helixtrans-77.2148.4-178.1-78162.5-39.900112.2
78Q34.6Very low57.2Low174 Ų174110.2 Ų110.281%0.81362%0.622SS**PPolyproline II helixtrans-58.7129-175.2-165166.311.500113.3S80Q78-S80 PolarHBondContact O-N 3.44Å
79P41.2Very low54.7Low115 Ų115112 Ų11275%0.74764%0.641SS**  trans-81112.8175.130.3-28.9000109.8
80S40.2Very low52.4Low103 Ų103118.7 Ų118.772%0.7268%0.681SS**  trans-110.3108.1170.5-61.20000110.5Q78Q78-S80 PolarHBondContact O-N 3.44Å
81Q41.4Very low50.2Low189 Ų189120 Ų12088%0.88370%0.695SS**  trans24.3113.7146.8-95167.3-17.300119.6
82V37.9Very low47.8Very low140 Ų140125.4 Ų125.485%0.84873%0.729SS**  trans-49.7128.3153.5-91.10000113.1
83N39.2Very low45.3Very low160 Ų160129.1 Ų129.186%0.85675%0.747SS**  trans-132.7118.8157-119.737.9000107.6
84P38.7Very low43.4Very low113 Ų113132.1 Ų132.173%0.73477%0.767SS**  trans-104.5118.9179.934.1-24.1000110.9
85T38.7Very low41.6Very low148 Ų148134.2 Ų134.291%0.90879%0.793SS**  trans-175.8136.4154.33.80000112.4
86G39.4Very low40.4Very low77 Ų77130.4 Ų130.479%0.79478%0.783SS**  trans12080.6145.300000117.9
87T38.2Very low40.4Very low137 Ų137134.2 Ų134.284%0.8479%0.791SS**  trans-56.8139158.443.50000113.6
88S44.1Very low40.3Very low125 Ų125131.3 Ų131.387%0.87479%0.787SS**  trans-178.4135.8131.9-82.30000114
89S38Very low40.4Very low109 Ų109133.7 Ų133.776%0.76279%0.789SS**  trans-82.9155.6-178-40.80000113.8
90V40.6Very low40.1Very low139 Ų139137 Ų13784%0.84280%0.795SS**  trans-165.596.3146.7171.30000107.8
91V45.2Very low40Very low120 Ų120136.5 Ų136.573%0.72779%0.791SS**  25.9118103.4-139.20000115.4
92T38.4Very low39.9Very low116 Ų116136.1 Ų136.171%0.71278%0.781SS**  158.7136.384.8-41.40000104.5
93D35.5Very low39.8Very low143 Ų143135.1 Ų135.177%0.76578%0.78SS**  163.6100.3102.9-170.345.9000107.3
94V44.1Very low40.1Very low121 Ų121132.7 Ų132.773%0.73377%0.773SS**  51.5111.793.9-158.90000116.2
95G40.3Very low40.2Very low73 Ų73132.9 Ų132.975%0.75378%0.777SS**  trans-169.292.1167.100000113
96D40.8Very low40.2Very low128 Ų128133.2 Ų133.268%0.68477%0.774SS**  trans-6.7143.6150.5-85-117.4000116.5
97R49.1Very low40.6Very low216 Ų216134.7 Ų134.782%0.81577%0.769SS**  cis163.4-177.831.4-113.6175.1170.1-135.1-10.5106.6
98P39.9Very low40.7Very low111 Ų111133.2 Ų133.272%0.72177%0.765SS**  -127154.9-6331.9-10.6000114.1
99R37.1Very low40.4Very low225 Ų225136.3 Ų136.385%0.84977%0.765SS**  trans-5.2125.6148.3-173-179.5-171.6165.62119.4
100E36.2Very low40.4Very low185 Ų185138.1 Ų138.186%0.86477%0.772SS**  trans-154.4134.6140-127.3175.4113.300112.6
101S36.4Very low40.1Very low91 Ų91134.9 Ų134.964%0.63677%0.767SS**  trans-122.8137.4-176.8-17.50000107.7
102R40Very low40Very low182 Ų182133.8 Ų133.869%0.68777%0.77SS**  trans-176.3121.9156.9-101.8150.3-177.6-1621.6112.6S297R102-S297 PolarHBondContact NH2-OG 3.46Å
103S36.5Very low39.9Very low119 Ų119136.6 Ų136.683%0.83278%0.781SS**  trans-91.8158.3160.5-47.60000110.4
104P44.8Very low40.4Very low109 Ų109133.2 Ų133.271%0.70878%0.78SS**  trans-152.6139.813132.1-11000118.1
105S41.5Very low40.4Very low117 Ų117133.3 Ų133.382%0.81878%0.78SS**  trans36.2135.4133.858.30000126.6
106N38.5Very low40.6Very low155 Ų155138.1 Ų138.183%0.82979%0.789SS**  trans-47.6161.3162.3-98.424.6000119
107P47.6Very low41.4Very low107 Ų107135.7 Ų135.770%0.69578%0.779SS**  trans-103.7138.5146.131.5-18.4000114.4
108S39.9Very low41.5Very low107 Ų107133.4 Ų133.475%0.74878%0.775SS**  trans-7.8135.114832.70000119.2
109Q38.3Very low42.9Very low189 Ų189130.7 Ų130.788%0.88376%0.762SS**  92.899.661.1-162.5-168.5115.600113.2
110T38Very low44.6Very low148 Ų148121.8 Ų121.891%0.90874%0.74SS**  trans-163.2125.7157.2-22.30000104.7
111G35Very low46.3Very low71 Ų71119.3 Ų119.373%0.73273%0.73SS**  cis126.210623.900000107.1
112A42.7Very low47.9Very low97 Ų97120.5 Ų120.580%0.80273%0.725SS**  trans160.1101.4158.200000109.8
113N36.9Very low49.5Very low175 Ų175118.3 Ų118.394%0.93672%0.723SS**  45.6107.489.9-83.11.4000114.8
114G45.6Very low51.3Low72 Ų72115.4 Ų115.474%0.74271%0.706SS**  trans168.493.616300000117.3
115V43.8Very low52.5Low123 Ų123115.4 Ų115.475%0.74570%0.698SS**  trans85.194.3145.7-157.40000119T117V115-T117 WeakPolarHBondContact CG1-OG1 3.21Å; V115-T117 PolarHBondContact O-N 2.94Å
116N44.3Very low53.8Low174 Ų174116 Ų11693%0.9369%0.688SS**  trans-81.474.2171.5-65-9.6000112.5
117T58.2Low55.5Low77 Ų77110.4 Ų110.447%0.47266%0.663SS.*  trans-118.3136.4174.2-53.90000110.3V115 A119 G120 M121V115-T117 WeakPolarHBondContact CG1-OG1 3.21Å; V115-T117 PolarHBondContact O-N 2.94Å; T117-A119 HydrophobicContact CG2-CB 3.89Å; T117-A119 PolarHBondContact O-N 2.86Å; T117-A119 VanDerWaalsContact O-N 3.09Å; T117-G120 WeakPolarHBondContact O-CA 3.18Å; T117-G120 PolarHBondContact O-N 2.81Å; T117-M121 PolarHBondContact O-N 3.41Å
118F51Low56.4Low168 Ų168109.4 Ų109.474%0.73765%0.649SS**Hα-helixtrans-50.7-32173.8178.2-102.6000112.6M121 Q122F118-M121 PolarHBondContact O-N 3.49Å; F118-Q122 PolarHBondContact O-N 3Å
119A68.7Low57.8Low53 Ų53106.4 Ų106.444%0.43863%0.627SS.*Hα-helixtrans-63.3-42.5170.600000113.1T117 M121 Q122 Q123T117-A119 HydrophobicContact CG2-CB 3.89Å; T117-A119 PolarHBondContact O-N 2.86Å; T117-A119 VanDerWaalsContact O-N 3.09Å; A119-M121 VanDerWaalsContact C-N 3.33Å; A119-M121 PolarHBondContact O-N 3.33Å; A119-Q122 PolarHBondContact O-N 2.96Å; A119-Q123 WeakPolarHBondContact O-CB 3.29Å; A119-Q123 PolarHBondContact O-N 3.36Å
120G72.4Confident59Low38 Ų38105.5 Ų105.539%0.39262%0.624SS.*Hα-helixtrans-66.8-32.8173.500000112.7T117 A124T117-G120 WeakPolarHBondContact O-CA 3.18Å; T117-G120 PolarHBondContact O-N 2.81Å; G120-A124 WeakPolarHBondContact O-CB 3.31Å; G120-A124 PolarHBondContact O-N 2.91Å
121M71.6Confident60.8Low134 Ų134105 Ų10566%0.6661%0.612SS**Hα-helixtrans-71.2-40173.7-179166.5-79.700112.5T117 F118 A119 Q123 A124 M125T117-M121 PolarHBondContact O-N 3.41Å; F118-M121 PolarHBondContact O-N 3.49Å; A119-M121 VanDerWaalsContact C-N 3.33Å; A119-M121 PolarHBondContact O-N 3.33Å; M121-Q123 VanDerWaalsContact C-N 3.32Å; M121-A124 PolarHBondContact O-N 2.98Å; M121-M125 WeakPolarHBondContact O-CB 3.38Å; M121-M125 PolarHBondContact O-N 2.86Å
122Q70.8Confident62.5Low115 Ų115104.9 Ų104.954%0.53759%0.594SS.*Hα-helixtrans-65.3-38175.2-173.8178.866.400111.5F118 A119 M125 Q126F118-Q122 PolarHBondContact O-N 3Å; A119-Q122 PolarHBondContact O-N 2.96Å; Q122-M125 PolarHBondContact O-N 2.75Å; Q122-Q126 PolarHBondContact O-N 3.19Å
123Q73.6Confident63.7Low136 Ų136104 Ų10464%0.63658%0.58SS**Hα-helixtrans-75.9-36.6178.3-155.1164.9-33.600112A119 M121 M125 Q126 A127A119-Q123 WeakPolarHBondContact O-CB 3.29Å; A119-Q123 PolarHBondContact O-N 3.36Å; M121-Q123 VanDerWaalsContact C-N 3.32Å; Q123-M125 VanDerWaalsContact C-N 3.31Å; Q123-Q126 PolarHBondContact O-N 3.04Å; Q123-A127 VanDerWaalsContact O-CB 3.24Å; Q123-A127 WeakPolarHBondContact O-CB 3.31Å; Q123-A127 PolarHBondContact O-N 3.47Å
124A75.3Confident65.8Low59 Ų59100.7 Ų100.749%0.48856%0.559SS.*Hα-helixtrans-65.1-35.6168.700000111.5G120 M121 Q128G120-A124 WeakPolarHBondContact O-CB 3.31Å; G120-A124 PolarHBondContact O-N 2.91Å; M121-A124 PolarHBondContact O-N 2.98Å; A124-Q128 WeakPolarHBondContact O-CB 3.1Å; A124-Q128 PolarHBondContact O-N 3.49Å
125M68.7Low67.2Low108 Ų108100.2 Ų100.253%0.53254%0.539SS..Hα-helixtrans-72.8-38.1176.5-171.3164.2-177.500111.9M121 Q122 Q123 Q128 V129M121-M125 WeakPolarHBondContact O-CB 3.38Å; M121-M125 PolarHBondContact O-N 2.86Å; Q122-M125 PolarHBondContact O-N 2.75Å; Q123-M125 VanDerWaalsContact C-N 3.31Å; M125-Q128 PolarHBondContact O-N 2.73Å; M125-V129 HydrophobicContact CG-CG2 4.35Å; M125-V129 VanDerWaalsContact O-CB 3.28Å; M125-V129 WeakPolarHBondContact O-CB 3.43Å; M125-V129 WeakPolarHBondContact O-CG2 3.37Å; M125-V129 PolarHBondContact O-N 2.98Å
126Q68.4Low68.5Low131 Ų13198.1 Ų98.161%0.61252%0.523SS*.Hα-helixtrans-66.5-42.9170.8-88-179.14.400112.1Q122 Q123 Q128 V129 M130Q122-Q126 PolarHBondContact O-N 3.19Å; Q123-Q126 PolarHBondContact O-N 3.04Å; Q126-Q128 VanDerWaalsContact C-N 3.31Å; Q126-Q128 PolarHBondContact O-N 3.36Å; Q126-V129 PolarHBondContact O-N 3.12Å; Q126-M130 WeakPolarHBondContact O-CB 3.48Å; Q126-M130 PolarHBondContact O-N 3.07Å
127A74.4Confident69.7Low37 Ų3795.1 Ų95.131%0.30650%0.499SS..Hα-helixtrans-64.2-37.1175.500000111.7Q123 Q131Q123-A127 VanDerWaalsContact O-CB 3.24Å; Q123-A127 WeakPolarHBondContact O-CB 3.31Å; Q123-A127 PolarHBondContact O-N 3.47Å; A127-Q131 VanDerWaalsContact O-CB 3.26Å; A127-Q131 WeakPolarHBondContact O-CB 3.24Å; A127-Q131 WeakPolarHBondContact O-CG 3.23Å; A127-Q131 PolarHBondContact O-N 3.42Å; A127-Q131 PolarHBondContact O-NE2 3Å; A127-Q131 VanDerWaalsContact O-NE2 3.09Å
128Q66.8Low70.5Confident86 Ų8696.6 Ų96.640%0.40250%0.504SS..Hα-helixtrans-75.6-34.8177.1-170.772.7-18.700112.3A124 M125 Q126 M130 Q131 N132 L135A124-Q128 WeakPolarHBondContact O-CB 3.1Å; A124-Q128 PolarHBondContact O-N 3.49Å; M125-Q128 PolarHBondContact O-N 2.73Å; Q126-Q128 VanDerWaalsContact C-N 3.31Å; Q126-Q128 PolarHBondContact O-N 3.36Å; Q128-M130 VanDerWaalsContact C-N 3.32Å; Q128-Q131 PolarHBondContact O-N 2.96Å; Q128-N132 WeakPolarHBondContact O-CA 3.3Å; Q128-N132 VanDerWaalsContact O-CB 3.25Å; Q128-N132 WeakPolarHBondContact O-CB 3.48Å; Q128-N132 PolarHBondContact O-N 2.98Å; Q128-L135 HydrophobicContact CG-CD2 4.05Å
129V69.1Low71.4Confident44 Ų4493.4 Ų93.427%0.26749%0.493SS..Hα-helixtrans-69.8-32.3173.2169.40000110.8M125 Q126 L135 L136M125-V129 HydrophobicContact CG-CG2 4.35Å; M125-V129 VanDerWaalsContact O-CB 3.28Å; M125-V129 WeakPolarHBondContact O-CB 3.43Å; M125-V129 WeakPolarHBondContact O-CG2 3.37Å; M125-V129 PolarHBondContact O-N 2.98Å; Q126-V129 PolarHBondContact O-N 3.12Å; V129-L135 HydrophobicContact CG2-CD2 3.74Å; V129-L135 HydrophobicContact CG2-CG 4.42Å; V129-L136 HydrophobicContact CG1-CB 4.45Å; V129-L136 HydrophobicContact CG1-CD1 4.45Å
130M63.5Low71.6Confident170 Ų17093 Ų9384%0.83748%0.483SS*.Hα-helixtrans-74.2-32.1171.8-82-179.8158.500113.4Q126 Q128Q126-M130 WeakPolarHBondContact O-CB 3.48Å; Q126-M130 PolarHBondContact O-N 3.07Å; Q128-M130 VanDerWaalsContact C-N 3.32Å
131Q75.4Confident71.9Confident138 Ų13896.9 Ų96.965%0.64550%0.495SS*.Hα-helixtrans-88.5-28.6179.8-74.217166.500113.5A127 Q128 P133A127-Q131 VanDerWaalsContact O-CB 3.26Å; A127-Q131 WeakPolarHBondContact O-CB 3.24Å; A127-Q131 WeakPolarHBondContact O-CG 3.23Å; A127-Q131 PolarHBondContact O-N 3.42Å; A127-Q131 PolarHBondContact O-NE2 3Å; A127-Q131 VanDerWaalsContact O-NE2 3.09Å; Q128-Q131 PolarHBondContact O-N 2.96Å; Q131-P133 WeakPolarHBondContact O-CD 3.48Å
132N70.4Confident72.3Confident67 Ų6792.5 Ų92.536%0.35848%0.477SS..  trans-111.685.6175.8-80.213000110.2Q128 E134 L135 L136Q128-N132 WeakPolarHBondContact O-CA 3.3Å; Q128-N132 VanDerWaalsContact O-CB 3.25Å; Q128-N132 WeakPolarHBondContact O-CB 3.48Å; Q128-N132 PolarHBondContact O-N 2.98Å; N132-E134 PolarHBondContact O-N 3.31Å; N132-E134 VanDerWaalsContact O-N 3.08Å; N132-L135 HydrophobicContact CB-CB 3.8Å; N132-L135 WeakPolarHBondContact O-CB 3.28Å; N132-L135 PolarHBondContact O-N 2.66Å; N132-L136 PolarHBondContact O-N 3.17Å
133P69.7Low72.4Confident79 Ų7991.8 Ų91.851%0.51348%0.482SS..Hα-helixtrans-56.5-21.3165.325.3-34.4000112.2Q131 R137Q131-P133 WeakPolarHBondContact O-CD 3.48Å; P133-R137 PolarHBondContact O-N 3.25Å
134E79.8Confident72.8Confident106 Ų10689.6 Ų89.650%0.49548%0.475SS..Hα-helixtrans-68.7-32.3171.6-68.2-62111.500113.3N132 R137 N138N132-E134 PolarHBondContact O-N 3.31Å; N132-E134 VanDerWaalsContact O-N 3.08Å; E134-R137 PolarHBondContact O-N 2.93Å; E134-R137 VanDerWaalsContact OE1-CD 3.3Å; E134-R137 WeakPolarHBondContact OE1-CD 3.37Å; E134-R137 IonicContact OE1-NE 3.97Å; E134-N138 WeakPolarHBondContact O-CB 3.19Å; E134-N138 PolarHBondContact O-N 2.97Å; E134-N138 PolarHBondContact O-ND2 3.47Å; E134-N138 VanDerWaalsContact O-ND2 3.12Å
135L75.9Confident72.9Confident62 Ų6287.9 Ų87.933%0.32546%0.458SS..Hα-helixtrans-70.4-40.5175.4-179.865.8000110.6Q128 V129 N132 N138 M139Q128-L135 HydrophobicContact CG-CD2 4.05Å; V129-L135 HydrophobicContact CG2-CD2 3.74Å; V129-L135 HydrophobicContact CG2-CG 4.42Å; N132-L135 HydrophobicContact CB-CB 3.8Å; N132-L135 WeakPolarHBondContact O-CB 3.28Å; N132-L135 PolarHBondContact O-N 2.66Å; L135-N138 PolarHBondContact O-N 2.97Å; L135-M139 WeakPolarHBondContact O-CB 3.49Å; L135-M139 PolarHBondContact O-N 2.94Å
136L69.4Low73.1Confident78 Ų7885.6 Ų85.641%0.40845%0.446SS..Hα-helixtrans-65.1-40.5174-175.263.9000111.1V129 N132 M139 L140V129-L136 HydrophobicContact CG1-CB 4.45Å; V129-L136 HydrophobicContact CG1-CD1 4.45Å; N132-L136 PolarHBondContact O-N 3.17Å; L136-M139 PolarHBondContact O-N 2.69Å; L136-L140 HydrophobicContact CD1-CD1 4.41Å; L136-L140 HydrophobicContact CD1-CG 4.42Å; L136-L140 HydrophobicContact CG-CD1 3.89Å; L136-L140 HydrophobicContact CG-CG 4.36Å; L136-L140 VanDerWaalsContact O-CB 3.31Å; L136-L140 WeakPolarHBondContact O-CB 3.39Å; L136-L140 WeakPolarHBondContact O-CD1 3.2Å; L136-L140 WeakPolarHBondContact O-CG 3.31Å; L136-L140 PolarHBondContact O-N 3.25Å
137R69.7Low73.5Confident112 Ų11282.3 Ų82.342%0.42344%0.437SS..Hα-helixtrans-58.3-49.9170.5-87.8171.8132.8114.7-28.9112P133 E134 M139 L140 D141P133-R137 PolarHBondContact O-N 3.25Å; E134-R137 PolarHBondContact O-N 2.93Å; E134-R137 VanDerWaalsContact OE1-CD 3.3Å; E134-R137 WeakPolarHBondContact OE1-CD 3.37Å; E134-R137 IonicContact OE1-NE 3.97Å; R137-M139 PolarHBondContact O-N 3.25Å; R137-L140 PolarHBondContact O-N 2.94Å; R137-D141 WeakPolarHBondContact O-CB 3.41Å; R137-D141 PolarHBondContact O-N 2.64Å
138N76.4Confident73.6Confident107 Ų10782.8 Ų82.857%0.57243%0.434SS*.Hα-helixtrans-63.1-30.4177.5-72.8-30.9000112.8E134 L135 S142E134-N138 WeakPolarHBondContact O-CB 3.19Å; E134-N138 PolarHBondContact O-N 2.97Å; E134-N138 PolarHBondContact O-ND2 3.47Å; E134-N138 VanDerWaalsContact O-ND2 3.12Å; L135-N138 PolarHBondContact O-N 2.97Å; N138-S142 PolarHBondContact O-N 3.21Å
139M68.6Low73.8Confident102 Ų10280.3 Ų80.350%0.50242%0.424SS..Hα-helixtrans-75.5-40.7174.6-175174.1158.200111.9L135 L136 R137 D141 S142 V145L135-M139 WeakPolarHBondContact O-CB 3.49Å; L135-M139 PolarHBondContact O-N 2.94Å; L136-M139 PolarHBondContact O-N 2.69Å; R137-M139 PolarHBondContact O-N 3.25Å; M139-D141 VanDerWaalsContact C-N 3.31Å; M139-S142 WeakPolarHBondContact O-CB 3.41Å; M139-S142 PolarHBondContact O-N 2.78Å; M139-V145 HydrophobicContact CG-CG2 4.31Å; M139-V145 WeakPolarHBondContact O-CB 3.44Å; M139-V145 WeakPolarHBondContact O-CG2 2.87Å
140L74.4Confident74.4Confident43 Ų4380.7 Ų80.723%0.22543%0.428CS..Hα-helixtrans-66.8-33.1174-73167000112.4L136 R137 S142 V145 M149L136-L140 HydrophobicContact CD1-CD1 4.41Å; L136-L140 HydrophobicContact CD1-CG 4.42Å; L136-L140 HydrophobicContact CG-CD1 3.89Å; L136-L140 HydrophobicContact CG-CG 4.36Å; L136-L140 VanDerWaalsContact O-CB 3.31Å; L136-L140 WeakPolarHBondContact O-CB 3.39Å; L136-L140 WeakPolarHBondContact O-CD1 3.2Å; L136-L140 WeakPolarHBondContact O-CG 3.31Å; L136-L140 PolarHBondContact O-N 3.25Å; R137-L140 PolarHBondContact O-N 2.94Å; L140-S142 VanDerWaalsContact C-N 3.27Å; L140-V145 HydrophobicContact CD2-CG1 4.36Å; L140-M149 HydrophobicContact CD2-CE 3.11Å; L140-M149 HydrophobicContact CD2-SD 4.04Å
141D78.9Confident75.3Confident121 Ų12176.3 Ų76.365%0.64741%0.408SS*.THydrogen-bonded Turntrans-80.5-9.3176.3-154.4-109.1000112.1R137 M139R137-D141 WeakPolarHBondContact O-CB 3.41Å; R137-D141 PolarHBondContact O-N 2.64Å; M139-D141 VanDerWaalsContact C-N 3.31Å
142S78.2Confident75.2Confident41 Ų4171.5 Ų71.529%0.28739%0.389SS..SBendtrans-63.9132177.5-175.60000110.4N138 M139 L140 L144 V145 Q146N138-S142 PolarHBondContact O-N 3.21Å; M139-S142 WeakPolarHBondContact O-CB 3.41Å; M139-S142 PolarHBondContact O-N 2.78Å; L140-S142 VanDerWaalsContact C-N 3.27Å; S142-L144 PolarHBondContact O-N 3.04Å; S142-V145 CarbonylContact O-C 3.57Å; S142-V145 WeakPolarHBondContact O-CA 3.17Å; S142-V145 PolarHBondContact O-N 3.32Å; S142-Q146 PolarHBondContact O-N 3.46Å
143P74.6Confident75.8Confident100 Ų10074 Ų7465%0.64940%0.398SS*.Hα-helixtrans-57.8-26-179.320.4-31.7000113.3S147P143-S147 VanDerWaalsContact O-CB 3.25Å; P143-S147 WeakPolarHBondContact O-CB 3.08Å; P143-S147 PolarHBondContact O-N 3.1Å; P143-S147 PolarHBondContact O-OG 2.91Å
144L80.7Confident76.4Confident91 Ų9173.8 Ų73.848%0.47640%0.395SS..Hα-helixtrans-64.2-49.3171.2172.261.2000111.9S142 S147 L148 Y330S142-L144 PolarHBondContact O-N 3.04Å; L144-S147 PolarHBondContact O-N 3.21Å; L144-L148 WeakPolarHBondContact O-CB 3.16Å; L144-L148 PolarHBondContact O-N 3.44Å; L144-Y330 HydrophobicContact CD1-CE1 4.24Å; L144-Y330 HydrophobicContact CD1-CE2 4.37Å; L144-Y330 WeakPolarHBondContact CD1-OH 3.47Å
145V77.1Confident76.3Confident22 Ų2268.9 Ų68.913%0.13337%0.373CS..Hα-helixtrans-72.7-37.3179.5176.80000109.9M139 L140 S142 S147 L148 M149M139-V145 HydrophobicContact CG-CG2 4.31Å; M139-V145 WeakPolarHBondContact O-CB 3.44Å; M139-V145 WeakPolarHBondContact O-CG2 2.87Å; L140-V145 HydrophobicContact CD2-CG1 4.36Å; S142-V145 CarbonylContact O-C 3.57Å; S142-V145 WeakPolarHBondContact O-CA 3.17Å; S142-V145 PolarHBondContact O-N 3.32Å; V145-S147 VanDerWaalsContact C-N 3.26Å; V145-S147 PolarHBondContact O-N 2.94Å; V145-L148 CarbonylContact O-C 3.48Å; V145-L148 WeakPolarHBondContact O-CB 3.14Å; V145-L148 PolarHBondContact O-N 3.29Å; V145-L148 VanDerWaalsContact O-N 3.16Å; V145-M149 HydrophobicContact CG1-CE 3.7Å; V145-M149 HydrophobicContact CG1-CG 3.98Å; V145-M149 HydrophobicContact CG1-SD 3.85Å; V145-M149 WeakPolarHBondContact O-CB 3.25Å; V145-M149 WeakPolarHBondContact O-CG 3.22Å; V145-M149 PolarHBondContact O-N 3.1Å
146Q73.4Confident76.4Confident61 Ų6169.6 Ų69.629%0.28537%0.371SS..Hα-helixtrans-60.9-35.7172.7-171.554.762.400112.2S142 S150 R193S142-Q146 PolarHBondContact O-N 3.46Å; Q146-S150 WeakPolarHBondContact O-CB 3.09Å; Q146-S150 PolarHBondContact O-N 3.07Å; Q146-S150 PolarHBondContact O-OG 3.02Å; Q146-S150 VanDerWaalsContact O-OG 3.04Å; Q146-R193 VanDerWaalsContact CD-NH1 3.28Å; Q146-R193 VanDerWaalsContact NE2-NH1 3.13Å
147S77Confident77Confident61 Ų6169.5 Ų69.543%0.42738%0.377SS..Hα-helixtrans-73.1-36.5174.4-61.60000112.6P143 L144 V145 S150 N151P143-S147 VanDerWaalsContact O-CB 3.25Å; P143-S147 WeakPolarHBondContact O-CB 3.08Å; P143-S147 PolarHBondContact O-N 3.1Å; P143-S147 PolarHBondContact O-OG 2.91Å; L144-S147 PolarHBondContact O-N 3.21Å; V145-S147 VanDerWaalsContact C-N 3.26Å; V145-S147 PolarHBondContact O-N 2.94Å; S147-S150 WeakPolarHBondContact CA-OG 3.28Å; S147-S150 PolarHBondContact O-OG 3.06Å; S147-N151 WeakPolarHBondContact O-CB 3.43Å; S147-N151 PolarHBondContact O-N 3.39Å; S147-N151 PolarHBondContact O-ND2 3.27Å
148L77.3Confident77.5Confident47 Ų4768.3 Ų68.325%0.24638%0.378CS..Hα-helixtrans-65.5-45.5171.7-178.461000110.2L144 V145 N151 V154 I155 L158L144-L148 WeakPolarHBondContact O-CB 3.16Å; L144-L148 PolarHBondContact O-N 3.44Å; V145-L148 CarbonylContact O-C 3.48Å; V145-L148 WeakPolarHBondContact O-CB 3.14Å; V145-L148 PolarHBondContact O-N 3.29Å; V145-L148 VanDerWaalsContact O-N 3.16Å; L148-N151 CarbonylContact O-C 3.58Å; L148-N151 PolarHBondContact O-N 3.48Å; L148-N151 VanDerWaalsContact O-N 3.1Å; L148-V154 HydrophobicContact CD1-CB 3.9Å; L148-V154 HydrophobicContact CD1-CG1 3.37Å; L148-I155 HydrophobicContact CD1-CG1 3.8Å; L148-I155 HydrophobicContact CG-CD1 4.38Å; L148-I155 HydrophobicContact CG-CG1 3.73Å; L148-I155 WeakPolarHBondContact O-CD1 3.26Å; L148-I155 VanDerWaalsContact O-CG1 3.25Å; L148-I155 WeakPolarHBondContact O-CG1 3.46Å; L148-L158 HydrophobicContact CD1-CD2 4.29Å; L148-L158 HydrophobicContact CD2-CD2 3.81Å
149M70.9Confident77.4Confident35 Ų3565.1 Ų65.117%0.17236%0.359CS..Hα-helixtrans-66.7-34.1179-71.9-169.8164.500114L140 V145 N151 I155 M189L140-M149 HydrophobicContact CD2-CE 3.11Å; L140-M149 HydrophobicContact CD2-SD 4.04Å; V145-M149 HydrophobicContact CG1-CE 3.7Å; V145-M149 HydrophobicContact CG1-CG 3.98Å; V145-M149 HydrophobicContact CG1-SD 3.85Å; V145-M149 WeakPolarHBondContact O-CB 3.25Å; V145-M149 WeakPolarHBondContact O-CG 3.22Å; V145-M149 PolarHBondContact O-N 3.1Å; M149-N151 PolarHBondContact O-N 2.82Å; M149-I155 HydrophobicContact CG-CD1 4.46Å; M149-M189 HydrophobicContact CB-SD 3.87Å; M149-M189 HydrophobicContact CE-CE 3.73Å; M149-M189 HydrophobicContact CE-CG 4.41Å; M149-M189 HydrophobicContact CE-SD 3.77Å; M149-M189 HydrophobicContact CG-CE 3.99Å; M149-M189 HydrophobicContact CG-SD 3.47Å; M149-M189 WeakPolarHBondContact CG-SD 3.16Å; M149-M189 HydrophobicContact SD-CE 4.42Å; M149-M189 HydrophobicContact SD-SD 3.73Å
150S81.1Confident78Confident52 Ų5266 Ų6636%0.36436%0.363SS..Hα-helixtrans-73.6-17.2173.258.40000113.1Q146 S147 P152Q146-S150 WeakPolarHBondContact O-CB 3.09Å; Q146-S150 PolarHBondContact O-N 3.07Å; Q146-S150 PolarHBondContact O-OG 3.02Å; Q146-S150 VanDerWaalsContact O-OG 3.04Å; S147-S150 WeakPolarHBondContact CA-OG 3.28Å; S147-S150 PolarHBondContact O-OG 3.06Å; S150-P152 VanDerWaalsContact O-CD 3.25Å; S150-P152 WeakPolarHBondContact O-CD 3.46Å
151N82.3Confident78.4Confident78 Ų7867.6 Ų67.642%0.41738%0.382SS..  trans-112.887.3-176.3-72.1-49.2000110.9S147 L148 M149 E153 V154 I155S147-N151 WeakPolarHBondContact O-CB 3.43Å; S147-N151 PolarHBondContact O-N 3.39Å; S147-N151 PolarHBondContact O-ND2 3.27Å; L148-N151 CarbonylContact O-C 3.58Å; L148-N151 PolarHBondContact O-N 3.48Å; L148-N151 VanDerWaalsContact O-N 3.1Å; M149-N151 PolarHBondContact O-N 2.82Å; N151-E153 PolarHBondContact O-N 3.2Å; N151-E153 VanDerWaalsContact O-N 3.1Å; N151-V154 HydrophobicContact CB-CB 4.06Å; N151-V154 HydrophobicContact CB-CG2 3.75Å; N151-V154 PolarHBondContact O-N 3.14Å; N151-I155 PolarHBondContact O-N 2.86Å; N151-I155 VanDerWaalsContact O-N 3.15Å
152P73.7Confident78.5Confident36 Ų3664.7 Ų64.723%0.23437%0.366CS..Hα-helixtrans-58.8-27.4-179.824.6-34.4000112.6S150 I155 R156 P182S150-P152 VanDerWaalsContact O-CD 3.25Å; S150-P152 WeakPolarHBondContact O-CD 3.46Å; P152-I155 PolarHBondContact O-N 3.31Å; P152-R156 WeakPolarHBondContact O-CB 3.25Å; P152-R156 VanDerWaalsContact O-CG 3.27Å; P152-R156 WeakPolarHBondContact O-CG 3.25Å; P152-R156 PolarHBondContact O-N 3.17Å; P152-P182 HydrophobicContact CB-CB 4.19Å; P152-P182 HydrophobicContact CG-CB 4.45Å
153E83.3Confident78.6Confident120 Ų12067.4 Ų67.456%0.56138%0.383SS*.Hα-helixtrans-69.2-37.4176.2-66-53.1132.300113.2N151 R156 S157N151-E153 PolarHBondContact O-N 3.2Å; N151-E153 VanDerWaalsContact O-N 3.1Å; E153-R156 PolarHBondContact O-N 3.23Å; E153-R156 IonicContact OE1-CZ 3.45Å; E153-R156 IonicContact OE1-NH1 3.34Å; E153-R156 PolarHBondContact OE1-NH1 3.42Å; E153-S157 WeakPolarHBondContact O-CB 3.45Å; E153-S157 PolarHBondContact O-N 3.08Å
154V82.3Confident78.9Confident74 Ų7469.9 Ų69.945%0.44839%0.386SS..Hα-helixtrans-72.2-38.3176.4-175.40000110L148 N151 S157 L158L148-V154 HydrophobicContact CD1-CB 3.9Å; L148-V154 HydrophobicContact CD1-CG1 3.37Å; N151-V154 HydrophobicContact CB-CB 4.06Å; N151-V154 HydrophobicContact CB-CG2 3.75Å; N151-V154 PolarHBondContact O-N 3.14Å; V154-S157 PolarHBondContact O-N 2.94Å; V154-L158 VanDerWaalsContact O-CB 3.32Å; V154-L158 WeakPolarHBondContact O-CB 3.24Å; V154-L158 PolarHBondContact O-N 2.83Å
155I76.6Confident78.7Confident4 Ų467.7 Ų67.72%0.02137%0.374CS..Hα-helixtrans-61-48.8172.2-78.2174.1000111L148 M149 N151 P152 S157 L158 F159 L179 L185 M189L148-I155 HydrophobicContact CD1-CG1 3.8Å; L148-I155 HydrophobicContact CG-CD1 4.38Å; L148-I155 HydrophobicContact CG-CG1 3.73Å; L148-I155 WeakPolarHBondContact O-CD1 3.26Å; L148-I155 VanDerWaalsContact O-CG1 3.25Å; L148-I155 WeakPolarHBondContact O-CG1 3.46Å; M149-I155 HydrophobicContact CG-CD1 4.46Å; N151-I155 PolarHBondContact O-N 2.86Å; N151-I155 VanDerWaalsContact O-N 3.15Å; P152-I155 PolarHBondContact O-N 3.31Å; I155-S157 VanDerWaalsContact C-N 3.31Å; I155-S157 PolarHBondContact O-N 3.34Å; I155-L158 PolarHBondContact O-N 3.14Å; I155-F159 HydrophobicContact CG2-CD2 3.67Å; I155-F159 HydrophobicContact CG2-CE2 3.6Å; I155-F159 HydrophobicContact CG2-CG 4.42Å; I155-F159 HydrophobicContact CG2-CZ 4.31Å; I155-F159 VanDerWaalsContact O-CB 3.31Å; I155-F159 WeakPolarHBondContact O-CB 3.48Å; I155-F159 WeakPolarHBondContact O-CD2 3.5Å; I155-F159 PolarHBondContact O-N 3.39Å; I155-L179 HydrophobicContact CG2-CD2 4.34Å; I155-L185 HydrophobicContact CD1-CD2 4.11Å; I155-L185 HydrophobicContact CG2-CD1 4.15Å; I155-M189 HydrophobicContact CD1-CE 3.79Å; I155-M189 HydrophobicContact CD1-SD 4.34Å
156R79.1Confident78.8Confident76 Ų7672.6 Ų72.629%0.28739%0.39SS..Hα-helixtrans-58.8-44.4177.2-78.6171.7177171.3-7.1111.5P152 E153 F159 Q160 L179 N180P152-R156 WeakPolarHBondContact O-CB 3.25Å; P152-R156 VanDerWaalsContact O-CG 3.27Å; P152-R156 WeakPolarHBondContact O-CG 3.25Å; P152-R156 PolarHBondContact O-N 3.17Å; E153-R156 PolarHBondContact O-N 3.23Å; E153-R156 IonicContact OE1-CZ 3.45Å; E153-R156 IonicContact OE1-NH1 3.34Å; E153-R156 PolarHBondContact OE1-NH1 3.42Å; R156-F159 PolarHBondContact O-N 3.01Å; R156-Q160 WeakPolarHBondContact O-CB 3.47Å; R156-Q160 PolarHBondContact O-N 3.31Å; R156-L179 PolarHBondContact NE-O 2.95Å; R156-N180 PolarHBondContact NH2-O 3.33Å
157S81.6Confident79.3Confident76 Ų7672.7 Ų72.753%0.53139%0.392SS..Hα-helixtrans-60.7-46.8176.1-176.20000112E153 V154 I155 Q160 A161E153-S157 WeakPolarHBondContact O-CB 3.45Å; E153-S157 PolarHBondContact O-N 3.08Å; V154-S157 PolarHBondContact O-N 2.94Å; I155-S157 VanDerWaalsContact C-N 3.31Å; I155-S157 PolarHBondContact O-N 3.34Å; S157-Q160 PolarHBondContact O-N 3.48Å; S157-A161 WeakPolarHBondContact O-CB 3.41Å; S157-A161 PolarHBondContact O-N 3.28Å
158L80.1Confident79.3Confident88 Ų8873 Ų7346%0.46139%0.389SS..Hα-helixtrans-66.2-41.5179.3-173.868.2000112.4L148 V154 I155 A161 N162L148-L158 HydrophobicContact CD1-CD2 4.29Å; L148-L158 HydrophobicContact CD2-CD2 3.81Å; V154-L158 VanDerWaalsContact O-CB 3.32Å; V154-L158 WeakPolarHBondContact O-CB 3.24Å; V154-L158 PolarHBondContact O-N 2.83Å; I155-L158 PolarHBondContact O-N 3.14Å; L158-A161 PolarHBondContact O-N 3.39Å; L158-N162 VanDerWaalsContact O-CB 3.3Å; L158-N162 WeakPolarHBondContact O-CB 3.27Å; L158-N162 PolarHBondContact O-N 2.88Å
159F74Confident79.3Confident39 Ų3973.3 Ų73.317%0.17139%0.39CS..Hα-helixtrans-69.5-36.2178.2-85.1-119.3000111.7I155 R156 M165 L179I155-F159 HydrophobicContact CG2-CD2 3.67Å; I155-F159 HydrophobicContact CG2-CE2 3.6Å; I155-F159 HydrophobicContact CG2-CG 4.42Å; I155-F159 HydrophobicContact CG2-CZ 4.31Å; I155-F159 VanDerWaalsContact O-CB 3.31Å; I155-F159 WeakPolarHBondContact O-CB 3.48Å; I155-F159 WeakPolarHBondContact O-CD2 3.5Å; I155-F159 PolarHBondContact O-N 3.39Å; R156-F159 PolarHBondContact O-N 3.01Å; F159-M165 HydrophobicContact CB-CB 4.48Å; F159-M165 HydrophobicContact CD1-CB 4.33Å; F159-M165 HydrophobicContact CD1-CE 3.31Å; F159-M165 HydrophobicContact CD1-CG 3.97Å; F159-M165 HydrophobicContact CD1-SD 3.27Å; F159-M165 WeakPolarHBondContact CD1-SD 3.39Å; F159-M165 HydrophobicContact CD2-CE 3.77Å; F159-M165 HydrophobicContact CE1-CE 2.98Å; F159-M165 HydrophobicContact CE1-CG 4.48Å; F159-M165 HydrophobicContact CE1-SD 3.3Å; F159-M165 WeakPolarHBondContact CE1-SD 3.29Å; F159-M165 HydrophobicContact CE2-CE 3.47Å; F159-M165 VanDerWaalsContact CE2-CE 3.47Å; F159-M165 HydrophobicContact CG-CE 3.73Å; F159-M165 HydrophobicContact CG-CG 4.24Å; F159-M165 HydrophobicContact CG-SD 4.06Å; F159-M165 HydrophobicContact CZ-CE 3.1Å; F159-M165 HydrophobicContact CZ-SD 4.08Å; F159-M165 VanDerWaalsContact O-CB 3.31Å; F159-M165 WeakPolarHBondContact O-CB 3.26Å; F159-L179 HydrophobicContact CD1-CD1 3.47Å; F159-L179 VanDerWaalsContact CD1-CD1 3.47Å; F159-L179 HydrophobicContact CD1-CD2 3.39Å; F159-L179 HydrophobicContact CD1-CG 4.08Å; F159-L179 HydrophobicContact CE1-CD1 3.89Å; F159-L179 HydrophobicContact CE1-CD2 3.4Å; F159-L179 HydrophobicContact CE1-CG 4.22Å; F159-L179 HydrophobicContact CG-CD1 4.43Å; F159-L179 HydrophobicContact CG-CD2 3.95Å; F159-L179 HydrophobicContact CZ-CD2 4Å
160Q80.8Confident79.8Confident122 Ų12279 Ų7957%0.5742%0.416SS*.Hα-helixtrans-75-31175.2-170.7174.2-0.800112.1R156 S157 N162R156-Q160 WeakPolarHBondContact O-CB 3.47Å; R156-Q160 PolarHBondContact O-N 3.31Å; S157-Q160 PolarHBondContact O-N 3.48Å; Q160-N162 VanDerWaalsContact C-N 3.32Å
161A83.2Confident79.8Confident76 Ų7684.8 Ų84.863%0.62843%0.43SS*.Hα-helixtrans-74.9-21.4175.400000112.9S157 L158 P163S157-A161 WeakPolarHBondContact O-CB 3.41Å; S157-A161 PolarHBondContact O-N 3.28Å; L158-A161 PolarHBondContact O-N 3.39Å; A161-P163 WeakPolarHBondContact O-CD 3.46Å
162N80.4Confident79.4Confident59 Ų5984.5 Ų84.532%0.31643%0.428SS..  trans-94.7111.5-176.3-157.7-8.8000111.4L158 Q160 Q164 M165 R166L158-N162 VanDerWaalsContact O-CB 3.3Å; L158-N162 WeakPolarHBondContact O-CB 3.27Å; L158-N162 PolarHBondContact O-N 2.88Å; Q160-N162 VanDerWaalsContact C-N 3.32Å; N162-Q164 PolarHBondContact O-N 3.48Å; N162-M165 HydrophobicContact CB-CB 4.18Å; N162-M165 HydrophobicContact CB-CG 4.08Å; N162-M165 WeakPolarHBondContact O-CB 3.35Å; N162-M165 PolarHBondContact O-N 3.43Å; N162-R166 PolarHBondContact O-N 3.41Å
163P80.8Confident79.8Confident99 Ų9986.8 Ų86.864%0.64344%0.443SS*.Hα-helixtrans-61.4-29.8-17722.6-32.8000113.2A161 M165 R166 D167A161-P163 WeakPolarHBondContact O-CD 3.46Å; P163-M165 VanDerWaalsContact C-N 3.32Å; P163-M165 PolarHBondContact O-N 3.2Å; P163-R166 PolarHBondContact O-N 3.18Å; P163-D167 PolarHBondContact O-N 2.81Å
164Q81.1Confident79.7Confident152 Ų15287.6 Ų87.671%0.7145%0.447SS*.Hα-helixtrans-68-31.8176.2-63.4-179-54.500112.7N162 L168N162-Q164 PolarHBondContact O-N 3.48Å; Q164-L168 WeakPolarHBondContact O-CB 3.32Å; Q164-L168 PolarHBondContact O-N 3.04Å; Q164-L168 VanDerWaalsContact O-N 3.16Å
165M75.9Confident79.3Confident45 Ų4586.3 Ų86.322%0.22244%0.438CS..Hα-helixtrans-73.8-32.2176.5-79.8-78.2-153.100112F159 N162 P163 L168 I169F159-M165 HydrophobicContact CB-CB 4.48Å; F159-M165 HydrophobicContact CD1-CB 4.33Å; F159-M165 HydrophobicContact CD1-CE 3.31Å; F159-M165 HydrophobicContact CD1-CG 3.97Å; F159-M165 HydrophobicContact CD1-SD 3.27Å; F159-M165 WeakPolarHBondContact CD1-SD 3.39Å; F159-M165 HydrophobicContact CD2-CE 3.77Å; F159-M165 HydrophobicContact CE1-CE 2.98Å; F159-M165 HydrophobicContact CE1-CG 4.48Å; F159-M165 HydrophobicContact CE1-SD 3.3Å; F159-M165 WeakPolarHBondContact CE1-SD 3.29Å; F159-M165 HydrophobicContact CE2-CE 3.47Å; F159-M165 VanDerWaalsContact CE2-CE 3.47Å; F159-M165 HydrophobicContact CG-CE 3.73Å; F159-M165 HydrophobicContact CG-CG 4.24Å; F159-M165 HydrophobicContact CG-SD 4.06Å; F159-M165 HydrophobicContact CZ-CE 3.1Å; F159-M165 HydrophobicContact CZ-SD 4.08Å; F159-M165 VanDerWaalsContact O-CB 3.31Å; F159-M165 WeakPolarHBondContact O-CB 3.26Å; N162-M165 HydrophobicContact CB-CB 4.18Å; N162-M165 HydrophobicContact CB-CG 4.08Å; N162-M165 WeakPolarHBondContact O-CB 3.35Å; N162-M165 PolarHBondContact O-N 3.43Å; P163-M165 VanDerWaalsContact C-N 3.32Å; P163-M165 PolarHBondContact O-N 3.2Å; M165-L168 PolarHBondContact O-N 3.34Å; M165-L168 HydrophobicContact SD-CD2 4.26Å; M165-I169 WeakPolarHBondContact O-CB 3.37Å; M165-I169 WeakPolarHBondContact O-CD1 3.43Å; M165-I169 WeakPolarHBondContact O-CG1 3.16Å; M165-I169 PolarHBondContact O-N 3.24Å
166R78.9Confident79.5Confident125 Ų12586.6 Ų86.647%0.47244%0.441SS..Hα-helixtrans-64.8-46.1175.8-74-173.8146.6166.7-7.8111.7N162 P163 L168 I169 E170N162-R166 PolarHBondContact O-N 3.41Å; P163-R166 PolarHBondContact O-N 3.18Å; R166-L168 PolarHBondContact O-N 3.35Å; R166-I169 PolarHBondContact O-N 3.26Å; R166-E170 WeakPolarHBondContact O-CB 3.28Å; R166-E170 VanDerWaalsContact O-CG 3.28Å; R166-E170 WeakPolarHBondContact O-CG 3.15Å; R166-E170 PolarHBondContact O-N 2.89Å
167D84Confident79.6Confident62 Ų6288.2 Ų88.233%0.33245%0.452SS..Hα-helixtrans-60.6-35.7172.9173.7-93.9000111.4P163 E170 R171P163-D167 PolarHBondContact O-N 2.81Å; D167-E170 PolarHBondContact O-N 3.04Å; D167-R171 VanDerWaalsContact CG-CZ 3.48Å; D167-R171 VanDerWaalsContact CG-NE 3.33Å; D167-R171 VanDerWaalsContact CG-NH2 3.28Å; D167-R171 WeakPolarHBondContact O-CB 3.25Å; D167-R171 WeakPolarHBondContact O-CG 3.43Å; D167-R171 PolarHBondContact O-N 3.48Å; D167-R171 WeakPolarHBondContact OD1-CD 3.31Å; D167-R171 IonicContact OD1-CZ 3.37Å; D167-R171 IonicContact OD1-NE 3.03Å; D167-R171 PolarHBondContact OD1-NE 3.01Å; D167-R171 IonicContact OD1-NH1 3.94Å; D167-R171 PolarHBondContact OD1-NH1 3.13Å; D167-R171 IonicContact OD1-NH2 2.75Å; D167-R171 PolarHBondContact OD1-NH2 3.4Å; D167-R171 IonicContact OD2-CZ 2.86Å; D167-R171 IonicContact OD2-NE 2.83Å; D167-R171 PolarHBondContact OD2-NE 3.3Å; D167-R171 IonicContact OD2-NH2 3.45Å; D167-R171 PolarHBondContact OD2-NH2 3.03Å
168L77.1Confident79.3Confident69 Ų6986.7 Ų86.736%0.36144%0.437SS..Hα-helixtrans-70.9-37.7175.4-173.863.2000113.5Q164 M165 R166 E170 R171 N172 L175Q164-L168 WeakPolarHBondContact O-CB 3.32Å; Q164-L168 PolarHBondContact O-N 3.04Å; Q164-L168 VanDerWaalsContact O-N 3.16Å; M165-L168 PolarHBondContact O-N 3.34Å; M165-L168 HydrophobicContact SD-CD2 4.26Å; R166-L168 PolarHBondContact O-N 3.35Å; L168-E170 VanDerWaalsContact C-N 3.33Å; L168-R171 PolarHBondContact O-N 3.5Å; L168-N172 WeakPolarHBondContact O-CB 3.36Å; L168-N172 PolarHBondContact O-N 2.8Å; L168-L175 HydrophobicContact CD1-CD1 4.01Å; L168-L175 HydrophobicContact CD2-CD1 3.78Å; L168-L175 HydrophobicContact CG-CD1 3.54Å
169I79.1Confident78.9Confident53 Ų5383.2 Ų83.227%0.27242%0.419SS..Hα-helixtrans-67.5-36.9174.3-68.9162.3000110.4M165 R166 N172 L179M165-I169 WeakPolarHBondContact O-CB 3.37Å; M165-I169 WeakPolarHBondContact O-CD1 3.43Å; M165-I169 WeakPolarHBondContact O-CG1 3.16Å; M165-I169 PolarHBondContact O-N 3.24Å; R166-I169 PolarHBondContact O-N 3.26Å; I169-N172 CarbonylContact O-C 3.57Å; I169-N172 VanDerWaalsContact O-O 3.12Å; I169-L179 HydrophobicContact CD1-CD1 3.48Å; I169-L179 VanDerWaalsContact CD1-CD1 3.48Å; I169-L179 HydrophobicContact CG1-CD1 3.57Å
170E80.9Confident79.3Confident155 Ų15586.9 Ų86.972%0.72444%0.44SS*.Hα-helixtrans-67.6-36.7173.7-73169.5-174.400111.6R166 D167 L168R166-E170 WeakPolarHBondContact O-CB 3.28Å; R166-E170 VanDerWaalsContact O-CG 3.28Å; R166-E170 WeakPolarHBondContact O-CG 3.15Å; R166-E170 PolarHBondContact O-N 2.89Å; D167-E170 PolarHBondContact O-N 3.04Å; L168-E170 VanDerWaalsContact C-N 3.33Å
171R81.1Confident79.5Confident172 Ų17285 Ų8565%0.64943%0.434SS*.Hα-helixtrans-77.8-23.9176.9-73.4173.2-170.5-171.312.7114D167 L168D167-R171 VanDerWaalsContact CG-CZ 3.48Å; D167-R171 VanDerWaalsContact CG-NE 3.33Å; D167-R171 VanDerWaalsContact CG-NH2 3.28Å; D167-R171 WeakPolarHBondContact O-CB 3.25Å; D167-R171 WeakPolarHBondContact O-CG 3.43Å; D167-R171 PolarHBondContact O-N 3.48Å; D167-R171 WeakPolarHBondContact OD1-CD 3.31Å; D167-R171 IonicContact OD1-CZ 3.37Å; D167-R171 IonicContact OD1-NE 3.03Å; D167-R171 PolarHBondContact OD1-NE 3.01Å; D167-R171 IonicContact OD1-NH1 3.94Å; D167-R171 PolarHBondContact OD1-NH1 3.13Å; D167-R171 IonicContact OD1-NH2 2.75Å; D167-R171 PolarHBondContact OD1-NH2 3.4Å; D167-R171 IonicContact OD2-CZ 2.86Å; D167-R171 IonicContact OD2-NE 2.83Å; D167-R171 PolarHBondContact OD2-NE 3.3Å; D167-R171 IonicContact OD2-NH2 3.45Å; D167-R171 PolarHBondContact OD2-NH2 3.03Å; L168-R171 PolarHBondContact O-N 3.5Å
172N73.5Confident79.1Confident72 Ų7283.2 Ų83.239%0.38542%0.416SS..  trans-131.995.8-179.3-82.4-72.3000110.5L168 I169 E174 L175 G176L168-N172 WeakPolarHBondContact O-CB 3.36Å; L168-N172 PolarHBondContact O-N 2.8Å; I169-N172 CarbonylContact O-C 3.57Å; I169-N172 VanDerWaalsContact O-O 3.12Å; N172-E174 PolarHBondContact O-N 3.21Å; N172-E174 VanDerWaalsContact O-N 3.14Å; N172-L175 HydrophobicContact CB-CB 3.99Å; N172-L175 HydrophobicContact CB-CD1 3.69Å; N172-L175 HydrophobicContact CB-CG 3.76Å; N172-L175 WeakPolarHBondContact O-CB 3.15Å; N172-L175 PolarHBondContact O-N 2.84Å; N172-G176 PolarHBondContact O-N 3.46Å
173P81.6Confident79.3Confident84 Ų8486.1 Ų86.155%0.54543%0.431SS..Hα-helixtrans-59.3-27.8176.323.3-32.9000112.3L175 G176 H177P173-L175 VanDerWaalsContact C-N 3.35Å; P173-G176 WeakPolarHBondContact O-CA 3.22Å; P173-G176 PolarHBondContact O-N 3.4Å; P173-H177 PolarHBondContact O-N 3.31Å; P173-H177 PolarHBondContact O-ND1 2.98Å
174E82.6Confident79.4Confident137 Ų13784.3 Ų84.364%0.6442%0.416SS*.Hα-helixtrans-60.8-39.5172-68.2-61.5132.500112.6N172 G176 H177 M178N172-E174 PolarHBondContact O-N 3.21Å; N172-E174 VanDerWaalsContact O-N 3.14Å; E174-G176 VanDerWaalsContact C-N 3.31Å; E174-H177 PolarHBondContact O-N 3.45Å; E174-M178 WeakPolarHBondContact O-CB 3.37Å; E174-M178 PolarHBondContact O-N 3.49Å
175L73.7Confident79.2Confident48 Ų4877.5 Ų77.525%0.25138%0.384SS..Hα-helixtrans-68.7-34.9175.5-70.9176.9000110.9L168 N172 P173 M178 L179L168-L175 HydrophobicContact CD1-CD1 4.01Å; L168-L175 HydrophobicContact CD2-CD1 3.78Å; L168-L175 HydrophobicContact CG-CD1 3.54Å; N172-L175 HydrophobicContact CB-CB 3.99Å; N172-L175 HydrophobicContact CB-CD1 3.69Å; N172-L175 HydrophobicContact CB-CG 3.76Å; N172-L175 WeakPolarHBondContact O-CB 3.15Å; N172-L175 PolarHBondContact O-N 2.84Å; P173-L175 VanDerWaalsContact C-N 3.35Å; L175-M178 HydrophobicContact CD2-CE 3.48Å; L175-M178 VanDerWaalsContact CD2-CE 3.48Å; L175-M178 HydrophobicContact CD2-SD 4.43Å; L175-M178 PolarHBondContact O-N 3.28Å; L175-L179 WeakPolarHBondContact O-CB 3.17Å; L175-L179 WeakPolarHBondContact O-CD1 3.32Å; L175-L179 WeakPolarHBondContact O-CG 3.37Å; L175-L179 PolarHBondContact O-N 3.38Å
176G80.1Confident79.4Confident9 Ų982.3 Ų82.39%0.09340%0.4CS..Hα-helixtrans-58.1-48.916900000112.2N172 P173 E174 L179 N180N172-G176 PolarHBondContact O-N 3.46Å; P173-G176 WeakPolarHBondContact O-CA 3.22Å; P173-G176 PolarHBondContact O-N 3.4Å; E174-G176 VanDerWaalsContact C-N 3.31Å; G176-L179 PolarHBondContact O-N 3.33Å; G176-N180 WeakPolarHBondContact O-CB 3.4Å; G176-N180 PolarHBondContact O-N 2.88Å; G176-N180 PolarHBondContact O-ND2 3.3Å
177H81Confident79.5Confident111 Ų11181.4 Ų81.451%0.51440%0.401SS..Hα-helixtrans-66.1-38.2178-70.987.5000112.4P173 E174 N180 N181P173-H177 PolarHBondContact O-N 3.31Å; P173-H177 PolarHBondContact O-ND1 2.98Å; E174-H177 PolarHBondContact O-N 3.45Å; H177-N180 PolarHBondContact O-N 3.45Å; H177-N181 VanDerWaalsContact O-CB 3.29Å; H177-N181 WeakPolarHBondContact O-CB 3.45Å; H177-N181 PolarHBondContact O-N 3.3Å; H177-N181 PolarHBondContact O-ND2 3.18Å
178M74.8Confident79.2Confident43 Ų4380 Ų8021%0.21240%0.396CS..Hα-helixtrans-63.2-40.2175.2-171.4178.777.900112.2E174 L175 L184 L185 S188E174-M178 WeakPolarHBondContact O-CB 3.37Å; E174-M178 PolarHBondContact O-N 3.49Å; L175-M178 HydrophobicContact CD2-CE 3.48Å; L175-M178 VanDerWaalsContact CD2-CE 3.48Å; L175-M178 HydrophobicContact CD2-SD 4.43Å; L175-M178 PolarHBondContact O-N 3.28Å; M178-L184 HydrophobicContact CB-CD2 4.22Å; M178-L184 HydrophobicContact CB-CG 4.36Å; M178-L184 HydrophobicContact CG-CG 4.18Å; M178-L185 HydrophobicContact CG-CB 4.41Å; M178-L185 WeakPolarHBondContact O-CB 3.19Å; M178-S188 PolarHBondContact SD-OG 3.02Å
179L73.3Confident79Confident16 Ų1678.7 Ų78.78%0.08439%0.389CS..Hα-helixtrans-78.7-29.1-179.7-68.7164.8000113.2I155 R156 F159 I169 L175 G176 L185I155-L179 HydrophobicContact CG2-CD2 4.34Å; R156-L179 PolarHBondContact NE-O 2.95Å; F159-L179 HydrophobicContact CD1-CD1 3.47Å; F159-L179 VanDerWaalsContact CD1-CD1 3.47Å; F159-L179 HydrophobicContact CD1-CD2 3.39Å; F159-L179 HydrophobicContact CD1-CG 4.08Å; F159-L179 HydrophobicContact CE1-CD1 3.89Å; F159-L179 HydrophobicContact CE1-CD2 3.4Å; F159-L179 HydrophobicContact CE1-CG 4.22Å; F159-L179 HydrophobicContact CG-CD1 4.43Å; F159-L179 HydrophobicContact CG-CD2 3.95Å; F159-L179 HydrophobicContact CZ-CD2 4Å; I169-L179 HydrophobicContact CD1-CD1 3.48Å; I169-L179 VanDerWaalsContact CD1-CD1 3.48Å; I169-L179 HydrophobicContact CG1-CD1 3.57Å; L175-L179 WeakPolarHBondContact O-CB 3.17Å; L175-L179 WeakPolarHBondContact O-CD1 3.32Å; L175-L179 WeakPolarHBondContact O-CG 3.37Å; L175-L179 PolarHBondContact O-N 3.38Å; G176-L179 PolarHBondContact O-N 3.33Å; L179-L185 HydrophobicContact CD2-CD1 3.61Å
180N81.2Confident78.9Confident116 Ų11681.3 Ų81.362%0.6240%0.4SS*.Hα-helixtrans-75.7-27.2173.5-76.8-60.2000112.1R156 G176 H177 P182R156-N180 PolarHBondContact NH2-O 3.33Å; G176-N180 WeakPolarHBondContact O-CB 3.4Å; G176-N180 PolarHBondContact O-N 2.88Å; G176-N180 PolarHBondContact O-ND2 3.3Å; H177-N180 PolarHBondContact O-N 3.45Å; N180-P182 WeakPolarHBondContact O-CD 3.27Å
181N84.2Confident78.9Confident81 Ų8175.6 Ų75.643%0.43337%0.374SS..  trans-102.6102.4177.5-73.1-29.2000111.9H177 D183 L184 L185H177-N181 VanDerWaalsContact O-CB 3.29Å; H177-N181 WeakPolarHBondContact O-CB 3.45Å; H177-N181 PolarHBondContact O-N 3.3Å; H177-N181 PolarHBondContact O-ND2 3.18Å; N181-D183 PolarHBondContact O-N 3.29Å; N181-L184 HydrophobicContact CB-CB 3.63Å; N181-L184 PolarHBondContact O-N 3.48Å; N181-L185 PolarHBondContact O-N 3.5Å
182P76.1Confident78.5Confident39 Ų3970.5 Ų70.525%0.25337%0.368SS..Hα-helixtrans-63-30.5-178.928.2-33.8000112P152 N180 R186P152-P182 HydrophobicContact CB-CB 4.19Å; P152-P182 HydrophobicContact CG-CB 4.45Å; N180-P182 WeakPolarHBondContact O-CD 3.27Å; P182-R186 WeakPolarHBondContact O-CB 3.23Å; P182-R186 VanDerWaalsContact O-CG 3.24Å; P182-R186 WeakPolarHBondContact O-CG 3.43Å; P182-R186 PolarHBondContact O-N 2.91Å
183D84.7Confident78.4Confident120 Ų12073.6 Ų73.664%0.64238%0.375SS*.Hα-helixtrans-69.2-35.7175.2-61.1-71.1000112.6N181 Q187N181-D183 PolarHBondContact O-N 3.29Å; D183-Q187 VanDerWaalsContact O-CB 3.28Å; D183-Q187 WeakPolarHBondContact O-CB 3.44Å; D183-Q187 PolarHBondContact O-N 3.43Å
184L81.5Confident78.1Confident62 Ų6273.1 Ų73.133%0.32537%0.368SS..Hα-helixtrans-72.9-40.1176.3-176.456.2000110.8M178 N181 R186 Q187 S188M178-L184 HydrophobicContact CB-CD2 4.22Å; M178-L184 HydrophobicContact CB-CG 4.36Å; M178-L184 HydrophobicContact CG-CG 4.18Å; N181-L184 HydrophobicContact CB-CB 3.63Å; N181-L184 PolarHBondContact O-N 3.48Å; L184-R186 VanDerWaalsContact C-N 3.34Å; L184-Q187 PolarHBondContact O-N 3.16Å; L184-S188 WeakPolarHBondContact O-CB 3.46Å; L184-S188 PolarHBondContact O-N 3.48Å; L184-S188 PolarHBondContact O-OG 3.12Å
185L77.5Confident77.7Confident8 Ų868.3 Ų68.34%0.04235%0.348CS..Hα-helixtrans-64-39.2173.1-170.2129.3000111.9I155 M178 L179 N181 S188 M189I155-L185 HydrophobicContact CD1-CD2 4.11Å; I155-L185 HydrophobicContact CG2-CD1 4.15Å; M178-L185 HydrophobicContact CG-CB 4.41Å; M178-L185 WeakPolarHBondContact O-CB 3.19Å; L179-L185 HydrophobicContact CD2-CD1 3.61Å; N181-L185 PolarHBondContact O-N 3.5Å; L185-S188 WeakPolarHBondContact CA-OG 3.48Å; L185-S188 PolarHBondContact O-OG 2.88Å; L185-S188 VanDerWaalsContact O-OG 3.07Å; L185-M189 HydrophobicContact CD1-CE 4.47Å; L185-M189 HydrophobicContact CD2-CE 3.8Å; L185-M189 HydrophobicContact CD2-CG 4.38Å; L185-M189 HydrophobicContact CD2-SD 3.7Å; L185-M189 HydrophobicContact CG-CE 4.16Å; L185-M189 HydrophobicContact CG-CG 4.5Å; L185-M189 HydrophobicContact CG-SD 4.35Å; L185-M189 WeakPolarHBondContact O-CB 3.32Å; L185-M189 VanDerWaalsContact O-CG 3.25Å; L185-M189 WeakPolarHBondContact O-CG 3.36Å; L185-M189 PolarHBondContact O-N 3.28Å
186R80.5Confident78.2Confident147 Ų14768.6 Ų68.656%0.55536%0.358SS*.Hα-helixtrans-64-44.5173.2-80.3178.7128.3144.84.3111.5P182 L184 M189 E190P182-R186 WeakPolarHBondContact O-CB 3.23Å; P182-R186 VanDerWaalsContact O-CG 3.24Å; P182-R186 WeakPolarHBondContact O-CG 3.43Å; P182-R186 PolarHBondContact O-N 2.91Å; L184-R186 VanDerWaalsContact C-N 3.34Å; R186-M189 PolarHBondContact O-N 3.27Å; R186-E190 WeakPolarHBondContact O-CA 3.22Å; R186-E190 WeakPolarHBondContact O-CB 3.45Å; R186-E190 PolarHBondContact O-N 2.85Å
187Q80.9Confident78Confident106 Ų10671.1 Ų71.150%0.49537%0.367SS..Hα-helixtrans-65-43.8177.6-171.7179.815500111.9D183 L184 E190 I191D183-Q187 VanDerWaalsContact O-CB 3.28Å; D183-Q187 WeakPolarHBondContact O-CB 3.44Å; D183-Q187 PolarHBondContact O-N 3.43Å; L184-Q187 PolarHBondContact O-N 3.16Å; Q187-E190 PolarHBondContact O-N 2.81Å; Q187-I191 HydrophobicContact CG-CD1 4.15Å; Q187-I191 WeakPolarHBondContact O-CD1 3.4Å; Q187-I191 WeakPolarHBondContact O-CG1 3.44Å; Q187-I191 PolarHBondContact O-N 3.03Å
188S77Confident77.4Confident33 Ų3370.9 Ų70.923%0.23137%0.368CS..Hα-helixtrans-68.2-39.6178.3690000111.6M178 L184 L185 E190 I191 A192M178-S188 PolarHBondContact SD-OG 3.02Å; L184-S188 WeakPolarHBondContact O-CB 3.46Å; L184-S188 PolarHBondContact O-N 3.48Å; L184-S188 PolarHBondContact O-OG 3.12Å; L185-S188 WeakPolarHBondContact CA-OG 3.48Å; L185-S188 PolarHBondContact O-OG 2.88Å; L185-S188 VanDerWaalsContact O-OG 3.07Å; S188-E190 VanDerWaalsContact C-N 3.33Å; S188-I191 PolarHBondContact O-N 2.88Å; S188-A192 VanDerWaalsContact O-CB 3.23Å; S188-A192 WeakPolarHBondContact O-CB 3.5Å; S188-A192 PolarHBondContact O-N 3.25Å
189M72.9Confident77.6Confident40 Ų4073.5 Ų73.520%0.19738%0.38CS..Hα-helixtrans-69.6-29.6171.8-74.4-170.4175.500112.4M149 I155 L185 R186 A192 R193M149-M189 HydrophobicContact CB-SD 3.87Å; M149-M189 HydrophobicContact CE-CE 3.73Å; M149-M189 HydrophobicContact CE-CG 4.41Å; M149-M189 HydrophobicContact CE-SD 3.77Å; M149-M189 HydrophobicContact CG-CE 3.99Å; M149-M189 HydrophobicContact CG-SD 3.47Å; M149-M189 WeakPolarHBondContact CG-SD 3.16Å; M149-M189 HydrophobicContact SD-CE 4.42Å; M149-M189 HydrophobicContact SD-SD 3.73Å; I155-M189 HydrophobicContact CD1-CE 3.79Å; I155-M189 HydrophobicContact CD1-SD 4.34Å; L185-M189 HydrophobicContact CD1-CE 4.47Å; L185-M189 HydrophobicContact CD2-CE 3.8Å; L185-M189 HydrophobicContact CD2-CG 4.38Å; L185-M189 HydrophobicContact CD2-SD 3.7Å; L185-M189 HydrophobicContact CG-CE 4.16Å; L185-M189 HydrophobicContact CG-CG 4.5Å; L185-M189 HydrophobicContact CG-SD 4.35Å; L185-M189 WeakPolarHBondContact O-CB 3.32Å; L185-M189 VanDerWaalsContact O-CG 3.25Å; L185-M189 WeakPolarHBondContact O-CG 3.36Å; L185-M189 PolarHBondContact O-N 3.28Å; R186-M189 PolarHBondContact O-N 3.27Å; M189-A192 PolarHBondContact O-N 3Å; M189-R193 WeakPolarHBondContact O-CA 3.29Å; M189-R193 WeakPolarHBondContact O-CB 3.35Å; M189-R193 PolarHBondContact O-N 2.81Å
190E78.1Confident77.9Confident109 Ų10978.1 Ų78.151%0.50940%0.401SS..Hα-helixtrans-71.9-41.1174.5-173.5170.410600111R186 Q187 S188 A192 R193 N194 M197R186-E190 WeakPolarHBondContact O-CA 3.22Å; R186-E190 WeakPolarHBondContact O-CB 3.45Å; R186-E190 PolarHBondContact O-N 2.85Å; Q187-E190 PolarHBondContact O-N 2.81Å; S188-E190 VanDerWaalsContact C-N 3.33Å; E190-A192 VanDerWaalsContact C-N 3.33Å; E190-R193 PolarHBondContact O-N 2.78Å; E190-N194 WeakPolarHBondContact O-CA 3.25Å; E190-N194 WeakPolarHBondContact O-CB 3.41Å; E190-N194 PolarHBondContact O-N 3.27Å; E190-M197 HydrophobicContact CG-SD 4.44Å
191I80.4Confident77.8Confident35 Ų3577.2 Ų77.218%0.17939%0.394CS..Hα-helixtrans-61.9-42.9170.3-66.4160.3000110.4Q187 S188 N194 M197 M198 M201Q187-I191 HydrophobicContact CG-CD1 4.15Å; Q187-I191 WeakPolarHBondContact O-CD1 3.4Å; Q187-I191 WeakPolarHBondContact O-CG1 3.44Å; Q187-I191 PolarHBondContact O-N 3.03Å; S188-I191 PolarHBondContact O-N 2.88Å; I191-N194 CarbonylContact O-C 3.44Å; I191-M197 HydrophobicContact CB-SD 4.16Å; I191-M197 HydrophobicContact CD1-CE 4.13Å; I191-M197 HydrophobicContact CG1-CE 3.41Å; I191-M197 VanDerWaalsContact CG1-CE 3.41Å; I191-M197 HydrophobicContact CG1-CG 4.01Å; I191-M197 HydrophobicContact CG1-SD 3.42Å; I191-M197 WeakPolarHBondContact CG1-SD 3.04Å; I191-M198 HydrophobicContact CG2-CB 4.25Å; I191-M201 HydrophobicContact CG2-SD 4.26Å
192A73.8Confident77.3Confident64 Ų6477.3 Ų77.353%0.52940%0.398SS..Hα-helixtrans-71.4-36.3179.900000112.8S188 M189 E190S188-A192 VanDerWaalsContact O-CB 3.23Å; S188-A192 WeakPolarHBondContact O-CB 3.5Å; S188-A192 PolarHBondContact O-N 3.25Å; M189-A192 PolarHBondContact O-N 3Å; E190-A192 VanDerWaalsContact C-N 3.33Å
193R70.1Confident77.4Confident138 Ų13882.5 Ų82.552%0.52141%0.412SS..Hα-helixtrans-79.7-25.8178.3-166.1176.978.41713.2111.7Q146 M189 E190 P195Q146-R193 VanDerWaalsContact CD-NH1 3.28Å; Q146-R193 VanDerWaalsContact NE2-NH1 3.13Å; M189-R193 WeakPolarHBondContact O-CA 3.29Å; M189-R193 WeakPolarHBondContact O-CB 3.35Å; M189-R193 PolarHBondContact O-N 2.81Å; E190-R193 PolarHBondContact O-N 2.78Å; R193-P195 WeakPolarHBondContact O-CD 3.47Å
194N76.6Confident77.4Confident74 Ų7482 Ų8240%0.39641%0.409SS..  trans-100.189.7177-165.7-0.1000110E190 I191 A196 M197 M198E190-N194 WeakPolarHBondContact O-CA 3.25Å; E190-N194 WeakPolarHBondContact O-CB 3.41Å; E190-N194 PolarHBondContact O-N 3.27Å; I191-N194 CarbonylContact O-C 3.44Å; N194-A196 PolarHBondContact O-N 3.4Å; N194-A196 VanDerWaalsContact O-N 3.09Å; N194-A196 WeakPolarHBondContact OD1-CB 3.29Å; N194-A196 PolarHBondContact OD1-N 3.12Å; N194-M197 HydrophobicContact CB-CB 3.71Å; N194-M197 WeakPolarHBondContact O-CA 3.3Å; N194-M197 WeakPolarHBondContact O-CB 3.39Å; N194-M197 PolarHBondContact O-N 3.19Å; N194-M198 PolarHBondContact O-N 3.03Å
195P73.7Confident77.1Confident36 Ų3685.1 Ų85.123%0.23442%0.418CS..Hα-helixtrans-56.5-29.5178.228.7-40.9000112.2R193 Q199R193-P195 WeakPolarHBondContact O-CD 3.47Å; P195-Q199 VanDerWaalsContact O-CB 3.27Å; P195-Q199 WeakPolarHBondContact O-CB 3.14Å; P195-Q199 WeakPolarHBondContact O-CG 3.33Å; P195-Q199 PolarHBondContact O-N 2.94Å
196A83.1Confident76.8Confident54 Ų5489.8 Ų89.845%0.44644%0.443SS..Hα-helixtrans-70.1-33.2174.800000111.8N194 Q199 E200N194-A196 PolarHBondContact O-N 3.4Å; N194-A196 VanDerWaalsContact O-N 3.09Å; N194-A196 WeakPolarHBondContact OD1-CB 3.29Å; N194-A196 PolarHBondContact OD1-N 3.12Å; A196-Q199 PolarHBondContact O-N 2.68Å; A196-E200 WeakPolarHBondContact O-CB 3.15Å; A196-E200 PolarHBondContact O-N 2.98Å
197M76Confident76.5Confident61 Ų6192.1 Ų92.130%0.345%0.451SS..Hα-helixtrans-73.3-39.2174.9-170.2179.2-175.600111.9E190 I191 N194 E200 M201E190-M197 HydrophobicContact CG-SD 4.44Å; I191-M197 HydrophobicContact CB-SD 4.16Å; I191-M197 HydrophobicContact CD1-CE 4.13Å; I191-M197 HydrophobicContact CG1-CE 3.41Å; I191-M197 VanDerWaalsContact CG1-CE 3.41Å; I191-M197 HydrophobicContact CG1-CG 4.01Å; I191-M197 HydrophobicContact CG1-SD 3.42Å; I191-M197 WeakPolarHBondContact CG1-SD 3.04Å; N194-M197 HydrophobicContact CB-CB 3.71Å; N194-M197 WeakPolarHBondContact O-CA 3.3Å; N194-M197 WeakPolarHBondContact O-CB 3.39Å; N194-M197 PolarHBondContact O-N 3.19Å; M197-E200 PolarHBondContact O-N 2.81Å; M197-M201 VanDerWaalsContact O-CB 3.26Å; M197-M201 WeakPolarHBondContact O-CB 3.4Å; M197-M201 PolarHBondContact O-N 2.85Å
198M69.1Low76.3Confident106 Ų10689.1 Ų89.152%0.52245%0.445SS..Hα-helixtrans-65.8-40.1171.2-174.2-178.4169.100111I191 N194 E200 M201 V202I191-M198 HydrophobicContact CG2-CB 4.25Å; N194-M198 PolarHBondContact O-N 3.03Å; M198-E200 VanDerWaalsContact C-N 3.34Å; M198-M201 PolarHBondContact O-N 3.32Å; M198-V202 HydrophobicContact CG-CG2 4.42Å; M198-V202 VanDerWaalsContact O-CB 3.32Å; M198-V202 WeakPolarHBondContact O-CB 3.33Å; M198-V202 WeakPolarHBondContact O-CG2 3.16Å; M198-V202 PolarHBondContact O-N 2.94Å
199Q78.1Confident75.7Confident98 Ų9889.5 Ų89.546%0.45844%0.444SS..Hα-helixtrans-65.4-37.2173.3-74.2166.716.300111.8P195 A196 R203P195-Q199 VanDerWaalsContact O-CB 3.27Å; P195-Q199 WeakPolarHBondContact O-CB 3.14Å; P195-Q199 WeakPolarHBondContact O-CG 3.33Å; P195-Q199 PolarHBondContact O-N 2.94Å; A196-Q199 PolarHBondContact O-N 2.68Å; Q199-R203 WeakPolarHBondContact O-CB 3.13Å; Q199-R203 WeakPolarHBondContact O-CD 3.32Å; Q199-R203 WeakPolarHBondContact O-CG 3.2Å; Q199-R203 PolarHBondContact O-N 3.44Å
200E80.1Confident75.3Confident113 Ų11391.2 Ų91.253%0.52846%0.46SS..Hα-helixtrans-70.5-37.4174.7-16263.3-151.400111.1A196 M197 M198 R203 N204A196-E200 WeakPolarHBondContact O-CB 3.15Å; A196-E200 PolarHBondContact O-N 2.98Å; M197-E200 PolarHBondContact O-N 2.81Å; M198-E200 VanDerWaalsContact C-N 3.34Å; E200-R203 PolarHBondContact O-N 3.4Å; E200-N204 WeakPolarHBondContact O-CA 3.49Å; E200-N204 WeakPolarHBondContact O-CB 3.17Å; E200-N204 PolarHBondContact O-N 3.15Å
201M79.7Confident74.7Confident97 Ų9791.4 Ų91.448%0.47847%0.465SS..Hα-helixtrans-65.8-46.8173179-179150.500110.2I191 M197 M198 R203 N204 Y205I191-M201 HydrophobicContact CG2-SD 4.26Å; M197-M201 VanDerWaalsContact O-CB 3.26Å; M197-M201 WeakPolarHBondContact O-CB 3.4Å; M197-M201 PolarHBondContact O-N 2.85Å; M198-M201 PolarHBondContact O-N 3.32Å; M201-R203 VanDerWaalsContact C-N 3.32Å; M201-R203 PolarHBondContact O-N 3Å; M201-N204 PolarHBondContact O-N 2.89Å; M201-Y205 WeakPolarHBondContact O-CB 3.31Å; M201-Y205 PolarHBondContact O-N 3.37Å
202V73.8Confident73.7Confident84 Ų8492.6 Ų92.651%0.50947%0.471SS..Hα-helixtrans-61.2-42.5174.8169.10000110.1M198 Y205 D206M198-V202 HydrophobicContact CG-CG2 4.42Å; M198-V202 VanDerWaalsContact O-CB 3.32Å; M198-V202 WeakPolarHBondContact O-CB 3.33Å; M198-V202 WeakPolarHBondContact O-CG2 3.16Å; M198-V202 PolarHBondContact O-N 2.94Å; V202-Y205 PolarHBondContact O-N 3.37Å; V202-D206 WeakPolarHBondContact O-CB 3.5Å; V202-D206 PolarHBondContact O-N 2.95Å
203R78.6Confident73.1Confident148 Ų14896.2 Ų96.256%0.55848%0.477SS*.Hα-helixtrans-67.2-38.9175.6-76.7168.5179.6173.30.4112.4Q199 E200 M201 R207Q199-R203 WeakPolarHBondContact O-CB 3.13Å; Q199-R203 WeakPolarHBondContact O-CD 3.32Å; Q199-R203 WeakPolarHBondContact O-CG 3.2Å; Q199-R203 PolarHBondContact O-N 3.44Å; E200-R203 PolarHBondContact O-N 3.4Å; M201-R203 VanDerWaalsContact C-N 3.32Å; M201-R203 PolarHBondContact O-N 3Å; R203-R207 WeakPolarHBondContact O-CB 2.91Å; R203-R207 PolarHBondContact O-N 2.84Å
204N83.5Confident73.1Confident109 Ų10993.8 Ų93.858%0.58348%0.481SS*.Hα-helixtrans-71.8-36.9177.7-170.831.1000110.9E200 M201 A208E200-N204 WeakPolarHBondContact O-CA 3.49Å; E200-N204 WeakPolarHBondContact O-CB 3.17Å; E200-N204 PolarHBondContact O-N 3.15Å; M201-N204 PolarHBondContact O-N 2.89Å; N204-A208 WeakPolarHBondContact O-CB 3.12Å; N204-A208 PolarHBondContact O-N 3.07Å
205Y76Confident72.5Confident127 Ų12793.8 Ų93.850%0.49848%0.484SS..Hα-helixtrans-71.4-39.9175.1-146.1-88.9000110.9M201 V202 A208 I209M201-Y205 WeakPolarHBondContact O-CB 3.31Å; M201-Y205 PolarHBondContact O-N 3.37Å; V202-Y205 PolarHBondContact O-N 3.37Å; Y205-A208 CarbonylContact O-C 3.57Å; Y205-A208 PolarHBondContact O-N 3.04Å; Y205-I209 HydrophobicContact CD1-CD1 3.56Å; Y205-I209 HydrophobicContact CD1-CG1 3.94Å; Y205-I209 HydrophobicContact CE1-CD1 3.78Å; Y205-I209 HydrophobicContact CE1-CG1 4.17Å; Y205-I209 VanDerWaalsContact O-CB 3.24Å; Y205-I209 WeakPolarHBondContact O-CB 3.21Å; Y205-I209 VanDerWaalsContact O-CG1 3.24Å; Y205-I209 WeakPolarHBondContact O-CG1 3.46Å; Y205-I209 PolarHBondContact O-N 3.46Å
206D71.2Confident71.2Confident107 Ų10798.4 Ų98.457%0.57251%0.514SS*.Hα-helixtrans-65.6-41.9173.3-174.865.4000111.1V202 A208 I209 S210V202-D206 WeakPolarHBondContact O-CB 3.5Å; V202-D206 PolarHBondContact O-N 2.95Å; D206-A208 VanDerWaalsContact C-N 3.35Å; D206-A208 PolarHBondContact O-N 2.82Å; D206-I209 PolarHBondContact O-N 2.77Å; D206-S210 VanDerWaalsContact O-CB 3.26Å; D206-S210 WeakPolarHBondContact O-CB 3.4Å; D206-S210 PolarHBondContact O-N 2.77Å
207R74.4Confident70.4Confident195 Ų19598.1 Ų98.174%0.73652%0.516SS*.Hα-helixtrans-66.8-36.4173.1-156.5179.3-130.5179.64.4111.7R203 N211R203-R207 WeakPolarHBondContact O-CB 2.91Å; R203-R207 PolarHBondContact O-N 2.84Å; R207-N211 VanDerWaalsContact O-CB 3.31Å; R207-N211 WeakPolarHBondContact O-CB 3.31Å; R207-N211 PolarHBondContact O-N 3.14Å
208A75.7Confident69.9Low44 Ų4495.3 Ų95.336%0.36450%0.503SS..Hα-helixtrans-72.5-34.8174.600000112.4N204 Y205 D206 N211 L212N204-A208 WeakPolarHBondContact O-CB 3.12Å; N204-A208 PolarHBondContact O-N 3.07Å; Y205-A208 CarbonylContact O-C 3.57Å; Y205-A208 PolarHBondContact O-N 3.04Å; D206-A208 VanDerWaalsContact C-N 3.35Å; D206-A208 PolarHBondContact O-N 2.82Å; A208-N211 CarbonylContact O-C 3.57Å; A208-N211 PolarHBondContact O-N 3.5Å; A208-L212 VanDerWaalsContact O-CB 3.27Å; A208-L212 WeakPolarHBondContact O-CB 3.47Å; A208-L212 WeakPolarHBondContact O-CD1 3.38Å; A208-L212 WeakPolarHBondContact O-CG 3.33Å; A208-L212 PolarHBondContact O-N 2.91Å
209I64.4Low69.6Low41 Ų4195.7 Ų95.721%0.2150%0.504CS..Hα-helixtrans-68.1-45.2173.3-80-179.8000109.9Y205 D206 N211 L212 E213 L222Y205-I209 HydrophobicContact CD1-CD1 3.56Å; Y205-I209 HydrophobicContact CD1-CG1 3.94Å; Y205-I209 HydrophobicContact CE1-CD1 3.78Å; Y205-I209 HydrophobicContact CE1-CG1 4.17Å; Y205-I209 VanDerWaalsContact O-CB 3.24Å; Y205-I209 WeakPolarHBondContact O-CB 3.21Å; Y205-I209 VanDerWaalsContact O-CG1 3.24Å; Y205-I209 WeakPolarHBondContact O-CG1 3.46Å; Y205-I209 PolarHBondContact O-N 3.46Å; D206-I209 PolarHBondContact O-N 2.77Å; I209-N211 VanDerWaalsContact C-N 3.26Å; I209-N211 PolarHBondContact O-N 3.35Å; I209-L212 CarbonylContact O-C 3.6Å; I209-L212 WeakPolarHBondContact O-CA 3.42Å; I209-L212 WeakPolarHBondContact O-CB 3.21Å; I209-L212 PolarHBondContact O-N 2.88Å; I209-E213 WeakPolarHBondContact O-CB 3.49Å; I209-E213 PolarHBondContact O-N 3.08Å; I209-L222 HydrophobicContact CD1-CD2 4.19Å; I209-L222 HydrophobicContact CG1-CD2 4.27Å; I209-L222 HydrophobicContact CG2-CD2 3.94Å
210S65.7Low69.3Low75 Ų7595.3 Ų95.352%0.52451%0.505SS..Hα-helixtrans-61.3-37.8174179.90000111.2D206 E213 S214D206-S210 VanDerWaalsContact O-CB 3.26Å; D206-S210 WeakPolarHBondContact O-CB 3.4Å; D206-S210 PolarHBondContact O-N 2.77Å; S210-E213 PolarHBondContact O-N 2.93Å; S210-S214 PolarHBondContact O-N 2.85Å
211N64.5Low68.8Low114 Ų11494 Ų9461%0.6150%0.499SS*.Hα-helixtrans-71.3-34.5173.3-143.514.6000111.9R207 A208 I209 S214 V215R207-N211 VanDerWaalsContact O-CB 3.31Å; R207-N211 WeakPolarHBondContact O-CB 3.31Å; R207-N211 PolarHBondContact O-N 3.14Å; A208-N211 CarbonylContact O-C 3.57Å; A208-N211 PolarHBondContact O-N 3.5Å; I209-N211 VanDerWaalsContact C-N 3.26Å; I209-N211 PolarHBondContact O-N 3.35Å; N211-S214 PolarHBondContact O-N 3.39Å; N211-S214 PolarHBondContact O-OG 3.47Å; N211-V215 WeakPolarHBondContact O-CG2 3.5Å
212L59.8Low68.3Low60 Ų6090.2 Ų90.231%0.31448%0.481SS..Hα-helixtrans-71.9-29.1173.8-91.6154.8000112.8A208 I209 S214 V215 G218A208-L212 VanDerWaalsContact O-CB 3.27Å; A208-L212 WeakPolarHBondContact O-CB 3.47Å; A208-L212 WeakPolarHBondContact O-CD1 3.38Å; A208-L212 WeakPolarHBondContact O-CG 3.33Å; A208-L212 PolarHBondContact O-N 2.91Å; I209-L212 CarbonylContact O-C 3.6Å; I209-L212 WeakPolarHBondContact O-CA 3.42Å; I209-L212 WeakPolarHBondContact O-CB 3.21Å; I209-L212 PolarHBondContact O-N 2.88Å; L212-S214 PolarHBondContact O-N 3.38Å; L212-V215 WeakPolarHBondContact O-CB 3.32Å; L212-V215 PolarHBondContact O-N 3.1Å; L212-G218 WeakPolarHBondContact O-CA 3.44Å
213E62.2Low68.2Low140 Ų14091.3 Ų91.365%0.65448%0.48SS*.Hα-helixtrans-64-29173.3-158.6-179.9126.700110.7I209 S210 V215I209-E213 WeakPolarHBondContact O-CB 3.49Å; I209-E213 PolarHBondContact O-N 3.08Å; S210-E213 PolarHBondContact O-N 2.93Å; E213-V215 VanDerWaalsContact C-N 3.33Å
214S70Confident67.8Low87 Ų8791.6 Ų91.661%0.60848%0.481SS*.THydrogen-bonded Turntrans-81.7-6171.880.70000114.4S210 N211 L212S210-S214 PolarHBondContact O-N 2.85Å; N211-S214 PolarHBondContact O-N 3.39Å; N211-S214 PolarHBondContact O-OG 3.47Å; L212-S214 PolarHBondContact O-N 3.38Å
215V64.1Low66.9Low74 Ų7488.2 Ų88.245%0.44846%0.463SS..SBendtrans-92.5127.8179.2177.80000110.2N211 L212 E213 G217 G218N211-V215 WeakPolarHBondContact O-CG2 3.5Å; L212-V215 WeakPolarHBondContact O-CB 3.32Å; L212-V215 PolarHBondContact O-N 3.1Å; E213-V215 VanDerWaalsContact C-N 3.33Å; V215-G217 PolarHBondContact O-N 3.14Å; V215-G218 PolarHBondContact O-N 2.73Å
216P45.9Very low66.1Low133 Ų13388.1 Ų88.186%0.86447%0.465SS*.THydrogen-bonded Turntrans-55.2111.9170.5-2130.8000110.5
217G65.1Low65.8Low48 Ų4890.7 Ų90.750%0.49547%0.467SS..THydrogen-bonded Turntrans104-7.8-17500000115.7V215 M219 N220 H221V215-G217 PolarHBondContact O-N 3.14Å; G217-M219 VanDerWaalsContact C-N 3.28Å; G217-M219 PolarHBondContact O-N 3.1Å; G217-N220 WeakPolarHBondContact O-CB 3.42Å; G217-N220 PolarHBondContact O-N 2.91Å; G217-N220 VanDerWaalsContact O-N 3.07Å; G217-H221 PolarHBondContact O-N 3.33Å
218G65.4Low65.4Low2 Ų287 Ų872%0.02146%0.462CS..Hα-helixtrans-62.3-32.8174.700000113.6L212 V215 N220 H221 L222L212-G218 WeakPolarHBondContact O-CA 3.44Å; V215-G218 PolarHBondContact O-N 2.73Å; G218-N220 VanDerWaalsContact C-N 3.27Å; G218-N220 PolarHBondContact O-N 3.23Å; G218-H221 WeakPolarHBondContact O-CA 3.18Å; G218-H221 WeakPolarHBondContact O-CB 3.17Å; G218-H221 PolarHBondContact O-N 2.93Å; G218-L222 PolarHBondContact O-N 3.45Å
219M63.4Low64.6Low114 Ų11489.7 Ų89.756%0.56247%0.469SS*.Hα-helixtrans-61.9-32.9172.9-159.277.5-137.600112.6G217 Q223G217-M219 VanDerWaalsContact C-N 3.28Å; G217-M219 PolarHBondContact O-N 3.1Å; M219-Q223 WeakPolarHBondContact O-CB 3.26Å; M219-Q223 WeakPolarHBondContact O-CG 3.28Å; M219-Q223 PolarHBondContact O-N 3.35Å
220N71.9Confident64.2Low89 Ų8992.2 Ų92.248%0.47648%0.48SS..Hα-helixtrans-71.9-32.8173.9-90.6-91.8000111.5G217 G218 R224G217-N220 WeakPolarHBondContact O-CB 3.42Å; G217-N220 PolarHBondContact O-N 2.91Å; G217-N220 VanDerWaalsContact O-N 3.07Å; G218-N220 VanDerWaalsContact C-N 3.27Å; G218-N220 PolarHBondContact O-N 3.23Å; N220-R224 VanDerWaalsContact O-CG 3.3Å; N220-R224 WeakPolarHBondContact O-CG 3.24Å; N220-R224 PolarHBondContact O-N 2.89Å
221H69Low63.8Low85 Ų8593.8 Ų93.839%0.39448%0.479SS..Hα-helixtrans-71.2-42.3175.2-170.856.5000111.3G217 G218 R224 I225G217-H221 PolarHBondContact O-N 3.33Å; G218-H221 WeakPolarHBondContact O-CA 3.18Å; G218-H221 WeakPolarHBondContact O-CB 3.17Å; G218-H221 PolarHBondContact O-N 2.93Å; H221-R224 PolarHBondContact O-N 3.48Å; H221-R224 VanDerWaalsContact O-N 3.15Å; H221-I225 VanDerWaalsContact O-CG1 3.3Å; H221-I225 WeakPolarHBondContact O-CG1 3.47Å; H221-I225 PolarHBondContact O-N 2.87Å
222L69.4Low63.6Low18 Ų1891.6 Ų91.69%0.09447%0.471CS..Hα-helixtrans-62.3-42.4172-70.3173000111.6I209 G218 R224 I225 F226I209-L222 HydrophobicContact CD1-CD2 4.19Å; I209-L222 HydrophobicContact CG1-CD2 4.27Å; I209-L222 HydrophobicContact CG2-CD2 3.94Å; G218-L222 PolarHBondContact O-N 3.45Å; L222-R224 VanDerWaalsContact C-N 3.26Å; L222-R224 PolarHBondContact O-N 3.46Å; L222-I225 PolarHBondContact O-N 3.15Å; L222-F226 WeakPolarHBondContact O-CB 3.39Å; L222-F226 WeakPolarHBondContact O-CD2 3.04Å; L222-F226 PolarHBondContact O-N 3.09Å
223Q71.5Confident63.6Low108 Ų10894.1 Ų94.151%0.50548%0.484SS..Hα-helixtrans-61.7-34.2174-75.3167.813.700112.3M219 R227M219-Q223 WeakPolarHBondContact O-CB 3.26Å; M219-Q223 WeakPolarHBondContact O-CG 3.28Å; M219-Q223 PolarHBondContact O-N 3.35Å; Q223-R227 WeakPolarHBondContact O-CB 3.13Å; Q223-R227 PolarHBondContact O-N 3.3Å
224R70.5Confident63.6Low153 Ų15393.3 Ų93.358%0.57748%0.481SS*.Hα-helixtrans-73.2-39.8173.5-73171.4-168.3175.92.9112.4N220 H221 L222 R227 D228N220-R224 VanDerWaalsContact O-CG 3.3Å; N220-R224 WeakPolarHBondContact O-CG 3.24Å; N220-R224 PolarHBondContact O-N 2.89Å; H221-R224 PolarHBondContact O-N 3.48Å; H221-R224 VanDerWaalsContact O-N 3.15Å; L222-R224 VanDerWaalsContact C-N 3.26Å; L222-R224 PolarHBondContact O-N 3.46Å; R224-R227 PolarHBondContact O-N 2.88Å; R224-D228 WeakPolarHBondContact O-CB 3.04Å; R224-D228 PolarHBondContact O-N 2.86Å
225I65.3Low63.4Low38 Ų3894.4 Ų94.420%0.19548%0.481CS..Hα-helixtrans-63.7-44.9174.8-68.5166.1000110.3H221 L222 R227 I229H221-I225 VanDerWaalsContact O-CG1 3.3Å; H221-I225 WeakPolarHBondContact O-CG1 3.47Å; H221-I225 PolarHBondContact O-N 2.87Å; L222-I225 PolarHBondContact O-N 3.15Å; I225-R227 VanDerWaalsContact C-N 3.32Å; I225-R227 PolarHBondContact O-N 3.33Å; I225-I229 HydrophobicContact CG2-CD1 3.81Å; I225-I229 HydrophobicContact CG2-CG1 4.48Å; I225-I229 VanDerWaalsContact O-CB 3.22Å; I225-I229 WeakPolarHBondContact O-CB 3.45Å; I225-I229 WeakPolarHBondContact O-CG1 3.02Å; I225-I229 PolarHBondContact O-N 3.22Å
226F58.9Low63.3Low125 Ų12593 Ų9355%0.54848%0.477SS..Iπ-helixtrans-62.8-39.7173.8-86.7-68.7000111.4L222 Q230L222-F226 WeakPolarHBondContact O-CB 3.39Å; L222-F226 WeakPolarHBondContact O-CD2 3.04Å; L222-F226 PolarHBondContact O-N 3.09Å; F226-Q230 WeakPolarHBondContact O-CA 3.46Å; F226-Q230 WeakPolarHBondContact O-CB 3.47Å; F226-Q230 PolarHBondContact O-N 3Å
227R65.4Low64Low161 Ų16189.4 Ų89.461%0.60846%0.458SS*.Iπ-helixtrans-72.4-45.8179-162.5170.2-171.2167.4-3.1113.1Q223 R224 I225 E231Q223-R227 WeakPolarHBondContact O-CB 3.13Å; Q223-R227 PolarHBondContact O-N 3.3Å; R224-R227 PolarHBondContact O-N 2.88Å; I225-R227 VanDerWaalsContact C-N 3.32Å; I225-R227 PolarHBondContact O-N 3.33Å; R227-E231 HydrophobicContact CG-CG 4.14Å; R227-E231 WeakPolarHBondContact CG-OE1 3.4Å; R227-E231 WeakPolarHBondContact CG-OE2 3.41Å; R227-E231 IonicContact NE-OE1 3.52Å; R227-E231 IonicContact NE-OE2 3.59Å; R227-E231 WeakPolarHBondContact O-CB 3.25Å; R227-E231 VanDerWaalsContact O-CG 3.23Å; R227-E231 WeakPolarHBondContact O-CG 3.47Å; R227-E231 PolarHBondContact O-N 3.46Å
228D64.8Low63.9Low118 Ų11890.1 Ų90.163%0.63146%0.455SS*.Iπ-helixtrans-79.2-20.9-176.2-72-41.4000113.5R224 P232R224-D228 WeakPolarHBondContact O-CB 3.04Å; R224-D228 PolarHBondContact O-N 2.86Å; D228-P232 WeakPolarHBondContact O-CD 3.1Å; D228-P232 WeakPolarHBondContact O-CG 3.22Å
229I59.4Low63.8Low100 Ų10092.2 Ų92.251%0.51347%0.47SS..Iπ-helixtrans-109.5-40.7-179.2-54.4-177.4000112.2I225 I233I225-I229 HydrophobicContact CG2-CD1 3.81Å; I225-I229 HydrophobicContact CG2-CG1 4.48Å; I225-I229 VanDerWaalsContact O-CB 3.22Å; I225-I229 WeakPolarHBondContact O-CB 3.45Å; I225-I229 WeakPolarHBondContact O-CG1 3.02Å; I225-I229 PolarHBondContact O-N 3.22Å; I229-I233 HydrophobicContact CG2-CD1 4.26Å; I229-I233 WeakPolarHBondContact O-CG1 3.26Å
230Q56.5Low63.4Low95 Ų9591.8 Ų91.844%0.44447%0.469SS..Iπ-helixtrans-81.7-35.9-178.5-160.5-177.5-29.900112.1F226 I233 M234F226-Q230 WeakPolarHBondContact O-CA 3.46Å; F226-Q230 WeakPolarHBondContact O-CB 3.47Å; F226-Q230 PolarHBondContact O-N 3Å; Q230-I233 PolarHBondContact O-N 3.21Å; Q230-M234 WeakPolarHBondContact O-CB 3.25Å; Q230-M234 PolarHBondContact O-N 2.88Å
231E57.9Low62.8Low108 Ų10889.9 Ų89.951%0.50547%0.47SS..Hα-helixtrans-60.7-46.4176.1-64.8-176.7159.200112.1R227 I233 M234 D235R227-E231 HydrophobicContact CG-CG 4.14Å; R227-E231 WeakPolarHBondContact CG-OE1 3.4Å; R227-E231 WeakPolarHBondContact CG-OE2 3.41Å; R227-E231 IonicContact NE-OE1 3.52Å; R227-E231 IonicContact NE-OE2 3.59Å; R227-E231 WeakPolarHBondContact O-CB 3.25Å; R227-E231 VanDerWaalsContact O-CG 3.23Å; R227-E231 WeakPolarHBondContact O-CG 3.47Å; R227-E231 PolarHBondContact O-N 3.46Å; E231-I233 PolarHBondContact O-N 3.08Å; E231-M234 PolarHBondContact O-N 2.78Å; E231-D235 WeakPolarHBondContact O-CB 3.32Å; E231-D235 PolarHBondContact O-N 3.38Å
232P58.8Low62.2Low67 Ų6789.3 Ų89.344%0.43548%0.476SS..Hα-helixtrans-71-2717923.9-32000113.8D228 A236D228-P232 WeakPolarHBondContact O-CD 3.1Å; D228-P232 WeakPolarHBondContact O-CG 3.22Å; P232-A236 WeakPolarHBondContact O-CA 3.42Å; P232-A236 WeakPolarHBondContact O-CB 3.11Å; P232-A236 PolarHBondContact O-N 2.89Å
233I59.5Low61.5Low114 Ų11492.3 Ų92.359%0.58550%0.498SS*.Hα-helixtrans-74.9-35.3173.7-70.2173.4000110.8I229 Q230 E231 A237I229-I233 HydrophobicContact CG2-CD1 4.26Å; I229-I233 WeakPolarHBondContact O-CG1 3.26Å; Q230-I233 PolarHBondContact O-N 3.21Å; E231-I233 PolarHBondContact O-N 3.08Å; I233-A237 WeakPolarHBondContact O-CB 3.27Å; I233-A237 PolarHBondContact O-N 3.46Å
234M62.8Low60.3Low122 Ų12294.2 Ų94.260%0.60151%0.511SS*.Hα-helixtrans-81.3-29.2179.1-158141.4162.200111.9Q230 E231 S238Q230-M234 WeakPolarHBondContact O-CB 3.25Å; Q230-M234 PolarHBondContact O-N 2.88Å; E231-M234 PolarHBondContact O-N 2.78Å; M234-S238 WeakPolarHBondContact O-CB 3.5Å; M234-S238 PolarHBondContact O-N 3.5Å; M234-S238 PolarHBondContact O-OG 3.04Å
235D66.6Low59Low111 Ų11191.5 Ų91.559%0.59452%0.516SS*.Hα-helixtrans-76.5-37.2169.5-155.7-89.7000110.8E231 S238 S239E231-D235 WeakPolarHBondContact O-CB 3.32Å; E231-D235 PolarHBondContact O-N 3.38Å; D235-S238 WeakPolarHBondContact CA-OG 3.45Å; D235-S238 PolarHBondContact O-OG 2.83Å; D235-S239 WeakPolarHBondContact O-CA 3.21Å; D235-S239 WeakPolarHBondContact O-CB 3.36Å; D235-S239 PolarHBondContact O-N 2.78Å; D235-S239 PolarHBondContact O-OG 3.09Å
236A60.9Low57.5Low44 Ų4492.3 Ų92.336%0.36453%0.533SS..Hα-helixtrans-67.1-39.1168.400000112.1P232 S239 I240P232-A236 WeakPolarHBondContact O-CA 3.42Å; P232-A236 WeakPolarHBondContact O-CB 3.11Å; P232-A236 PolarHBondContact O-N 2.89Å; A236-S239 WeakPolarHBondContact CA-OG 3.42Å; A236-S239 PolarHBondContact O-OG 3.48Å; A236-I240 WeakPolarHBondContact O-CB 3.35Å; A236-I240 VanDerWaalsContact O-CD1 3.31Å; A236-I240 WeakPolarHBondContact O-CD1 3.13Å; A236-I240 WeakPolarHBondContact O-CG1 3.25Å; A236-I240 PolarHBondContact O-N 3.4Å
237A60.3Low56.5Low58 Ų5893 Ų9348%0.47954%0.543SS..Hα-helixtrans-73.4-38.5177.500000112.3I233 G241I233-A237 WeakPolarHBondContact O-CB 3.27Å; I233-A237 PolarHBondContact O-N 3.46Å; A237-G241 PolarHBondContact O-N 2.9Å
238S63.5Low55Low62 Ų6294.5 Ų94.543%0.43456%0.556SS.*Hα-helixtrans-76.1-33.9175.260.40000111.9M234 D235 G241 S242M234-S238 WeakPolarHBondContact O-CB 3.5Å; M234-S238 PolarHBondContact O-N 3.5Å; M234-S238 PolarHBondContact O-OG 3.04Å; D235-S238 WeakPolarHBondContact CA-OG 3.45Å; D235-S238 PolarHBondContact O-OG 2.83Å; S238-G241 CarbonylContact O-C 3.55Å; S238-G241 PolarHBondContact O-N 3.2Å; S238-S242 VanDerWaalsContact O-CB 3.25Å; S238-S242 WeakPolarHBondContact O-CB 3.23Å; S238-S242 PolarHBondContact O-N 2.8Å; S238-S242 PolarHBondContact O-OG 3.31Å
239S63.1Low53.5Low47 Ų4792.9 Ų92.933%0.32955%0.554SS.*Hα-helixtrans-72.5-31.9171.164.80000112.2D235 A236 S242 S243D235-S239 WeakPolarHBondContact O-CA 3.21Å; D235-S239 WeakPolarHBondContact O-CB 3.36Å; D235-S239 PolarHBondContact O-N 2.78Å; D235-S239 PolarHBondContact O-OG 3.09Å; A236-S239 WeakPolarHBondContact CA-OG 3.42Å; A236-S239 PolarHBondContact O-OG 3.48Å; S239-S242 WeakPolarHBondContact CA-OG 3.08Å; S239-S243 WeakPolarHBondContact O-CA 3.18Å; S239-S243 WeakPolarHBondContact O-CB 3.38Å; S239-S243 PolarHBondContact O-N 3.26Å; S239-S243 PolarHBondContact O-OG 2.86Å
240I56.1Low52.3Low105 Ų10596.3 Ų96.354%0.53857%0.574SS.*Hα-helixtrans-68.5-39.8168.2-74.6165.5000110.5A236 S243 L244A236-I240 WeakPolarHBondContact O-CB 3.35Å; A236-I240 VanDerWaalsContact O-CD1 3.31Å; A236-I240 WeakPolarHBondContact O-CD1 3.13Å; A236-I240 WeakPolarHBondContact O-CG1 3.25Å; A236-I240 PolarHBondContact O-N 3.4Å; I240-S243 WeakPolarHBondContact CA-OG 3.3Å; I240-S243 PolarHBondContact O-OG 3.35Å; I240-L244 HydrophobicContact CG2-CD1 4.45Å; I240-L244 WeakPolarHBondContact O-CB 3.24Å; I240-L244 PolarHBondContact O-N 2.79Å
241G58.5Low51.2Low48 Ų4895 Ų9550%0.49559%0.585SS.*Hα-helixtrans-70.3-31.4175.400000114.6A237 S238 S245A237-G241 PolarHBondContact O-N 2.9Å; S238-G241 CarbonylContact O-C 3.55Å; S238-G241 PolarHBondContact O-N 3.2Å; G241-S245 WeakPolarHBondContact O-CB 3.27Å; G241-S245 PolarHBondContact O-N 3.3Å
242S57.5Low50Low74 Ų7497.1 Ų97.152%0.51760%0.601SS.*Hα-helixtrans-96.3-13.6177.955.40000113.8S238 S239 S245 G246S238-S242 VanDerWaalsContact O-CB 3.25Å; S238-S242 WeakPolarHBondContact O-CB 3.23Å; S238-S242 PolarHBondContact O-N 2.8Å; S238-S242 PolarHBondContact O-OG 3.31Å; S239-S242 WeakPolarHBondContact CA-OG 3.08Å; S242-S245 CarbonylContact O-C 3.54Å; S242-G246 PolarHBondContact O-N 3.23Å; S242-G246 VanDerWaalsContact O-N 3.14Å
243S53.9Low48.9Very low81 Ų8198.2 Ų98.257%0.56661%0.61SS**Hα-helixtrans-89.8-25.7167.465.70000113.3S239 I240 G246S239-S243 WeakPolarHBondContact O-CA 3.18Å; S239-S243 WeakPolarHBondContact O-CB 3.38Å; S239-S243 PolarHBondContact O-N 3.26Å; S239-S243 PolarHBondContact O-OG 2.86Å; I240-S243 WeakPolarHBondContact CA-OG 3.3Å; I240-S243 PolarHBondContact O-OG 3.35Å; S243-G246 PolarHBondContact O-N 3.33Å
244L45.9Very low47.9Very low147 Ų147101.1 Ų101.177%0.7762%0.621SS**THydrogen-bonded Turntrans-75-16162-99.572.4000112.7I240I240-L244 HydrophobicContact CG2-CD1 4.45Å; I240-L244 WeakPolarHBondContact O-CB 3.24Å; I240-L244 PolarHBondContact O-N 2.79Å
245S43.1Very low46.8Very low97 Ų97103.8 Ų103.868%0.67863%0.632SS**THydrogen-bonded Turntrans-112.433.2170.6-173.50000111.4G241 S242G241-S245 WeakPolarHBondContact O-CB 3.27Å; G241-S245 PolarHBondContact O-N 3.3Å; S242-S245 CarbonylContact O-C 3.54Å
246G34.5Very low45.6Very low55 Ų55105.1 Ų105.157%0.56764%0.639SS**  trans-102.352.4176.300000111.9S242 S243 Q248S242-G246 PolarHBondContact O-N 3.23Å; S242-G246 VanDerWaalsContact O-N 3.14Å; S243-G246 PolarHBondContact O-N 3.33Å; G246-Q248 PolarHBondContact O-N 2.87Å
247N37.1Very low45.3Very low139 Ų139108.8 Ų108.874%0.74366%0.659SS**  trans-84.3102.1168.8-161.264000109.9S249N247-S249 PolarHBondContact ND2-OG 3.04Å; N247-S249 PolarHBondContact O-N 3.35Å
248Q33.3Very low44.4Very low192 Ų192113.6 Ų113.690%0.89767%0.67SS**  trans-51.7100.6162.5178.3-176.353.500111.7G246G246-Q248 PolarHBondContact O-N 2.87Å
249S34.9Very low43.9Very low84 Ų84114 Ų11459%0.58768%0.677SS**  trans-171.795.4160.553.10000108.2N247N247-S249 PolarHBondContact ND2-OG 3.04Å; N247-S249 PolarHBondContact O-N 3.35Å
250N33.8Very low43.4Very low172 Ų172119.2 Ų119.292%0.9270%0.701SS**  47.197.780-150.746.5000113.7
251G32.4Very low43.2Very low67 Ų67121.1 Ų121.169%0.69171%0.711SS**  trans88.6132.7153.300000117.6
252N33.3Very low42.8Very low154 Ų154122.2 Ų122.282%0.82472%0.716SS**  trans80.588.9165-67.4-5.6000118.7
253S34.8Very low41.7Very low89 Ų89121.9 Ų121.962%0.62272%0.724SS**  11.4134.4119.854.20000119
254E38.9Very low41.1Very low175 Ų175121.4 Ų121.482%0.81873%0.731SS**  trans90.5129.5156.8-61.317198.500117.2
255Q40.3Very low40.8Very low179 Ų179120.9 Ų120.984%0.83673%0.734SS**  trans80.775.4165.3-63169.2-18.100117.9
256N40.8Very low40.9Very low138 Ų138127.8 Ų127.874%0.73875%0.745SS**  trans-116.6105.3148.2-87.6-47000110.2F258 A259N256-F258 PolarHBondContact O-N 2.81Å; N256-F258 VanDerWaalsContact O-N 3.15Å; N256-A259 WeakPolarHBondContact O-CB 3.4Å; N256-A259 PolarHBondContact O-N 2.72Å
257P54.9Low41.2Very low122 Ų122133.7 Ų133.779%0.79276%0.758SS**THydrogen-bonded Turntrans-71.9-4.3-176.530-34.4000113.7
258F42.4Very low41.2Very low159 Ų159130.9 Ų130.970%0.69776%0.762SS**THydrogen-bonded Turntrans-86.6-17.3174.6-161.1-102.6000112.9N256 N260 L261N256-F258 PolarHBondContact O-N 2.81Å; N256-F258 VanDerWaalsContact O-N 3.15Å; F258-N260 PolarHBondContact O-N 3.16Å; F258-L261 PolarHBondContact O-N 2.89Å
259A51.5Low41.7Very low71 Ų71126 Ų12659%0.58776%0.755SS**THydrogen-bonded Turntrans-67.2-15.8177.400000113.4N256N256-A259 WeakPolarHBondContact O-CB 3.4Å; N256-A259 PolarHBondContact O-N 2.72Å
260N53.1Low42.2Very low155 Ų155127.5 Ų127.583%0.82976%0.762SS**THydrogen-bonded Turntrans-90.7-5.3179.8-136.311.5000113.6F258F258-N260 PolarHBondContact O-N 3.16Å
261L51.7Low42.6Very low146 Ų146124.1 Ų124.176%0.76476%0.759SS**THydrogen-bonded Turntrans-101.4-24.5177.7-170.461.1000112.6F258F258-L261 PolarHBondContact O-N 2.89Å
262A50.3Low43.5Very low71 Ų71127 Ų12759%0.58776%0.763SS**SBendtrans-98.57173.400000113.2G264A262-G264 PolarHBondContact O-N 2.93Å
263G34.5Very low44.5Very low67 Ų67128 Ų12869%0.69176%0.762SS**  trans-77.275.3176.900000112.9
264G40.9Very low45.9Very low70 Ų70129.7 Ų129.772%0.72277%0.771SS**  trans-146.414172.500000114.3A262 R266A262-G264 PolarHBondContact O-N 2.93Å; G264-R266 PolarHBondContact O-N 3.37Å
265V40.4Very low47.6Very low136 Ų136129.7 Ų129.782%0.82477%0.774SS**  trans-71.890.8179.5-166.50000109.8Q267V265-Q267 PolarHBondContact O-N 2.99Å
266R44.2Very low49Very low242 Ų242127 Ų12791%0.91377%0.772SS**  trans-8390.7153-83-167.3175.4-164.10.3108.9G264G264-R266 PolarHBondContact O-N 3.37Å
267Q42.3Very low50.5Low179 Ų179124.9 Ų124.984%0.83676%0.761SS**  28.1103.9123.6-160.1158-5.900117.6V265V265-Q267 PolarHBondContact O-N 2.99Å
268G36.3Very low51.2Low80 Ų80124.4 Ų124.483%0.82576%0.757SS**  trans52.592.2136.400000119.9
269A42.8Very low52.4Low91 Ų91127.4 Ų127.475%0.75276%0.764SS**  trans-160.5145.214700000109.3A271A269-A271 PolarHBondContact O-N 2.79Å
270P46.3Very low53.2Low114 Ų114126.9 Ų126.974%0.7476%0.76SS**  trans-62123.6175.326.3-32.4000109.6T272P270-T272 PolarHBondContact O-N 3.01Å; P270-T272 PolarHBondContact O-OG1 3.29Å
271A41.7Very low53.5Low102 Ų102125.2 Ų125.284%0.84376%0.758SS**  trans-58106.9176.400000109.3A269 E273A269-A271 PolarHBondContact O-N 2.79Å; A271-E273 VanDerWaalsContact C-N 3.27Å
272T51.1Low53.8Low128 Ų128122.8 Ų122.879%0.78576%0.759SS**  trans-95.619.1-179.9-47.10000110.6P270P270-T272 PolarHBondContact O-N 3.01Å; P270-T272 PolarHBondContact O-OG1 3.29Å
273E56Low54Low173 Ų173126 Ų12681%0.80877%0.771SS**SBendtrans-115.5121.2178.5-73.1-175.7125.600109.9A271 M275A271-E273 VanDerWaalsContact C-N 3.27Å; E273-M275 PolarHBondContact O-N 3.38Å
274P63.9Low54.5Low125 Ų125130.4 Ų130.481%0.81278%0.779SS**PPolyproline II helixtrans-65.1130.4175.526.9-31.8000109.3
275M73.4Confident54.7Low176 Ų176134.4 Ų134.487%0.86778%0.784SS**PPolyproline II helixtrans-55.3141.8172.3-66.9-177.9-70.600110.2E273 N277E273-M275 PolarHBondContact O-N 3.38Å; M275-N277 PolarHBondContact O-N 3.35Å
276P71.3Confident54.6Low123 Ų123132 Ų13280%0.79978%0.778SS**PPolyproline II helixtrans-61.3130.4-176.423.5-32.5000111.3P278P276-P278 WeakPolarHBondContact O-CD 3.31Å
277N72.3Confident54.2Low93 Ų93126.8 Ų126.850%0.49777%0.773SS.*PPolyproline II helixtrans-66.2117.3-177.5-179.913.2000111.2M275 W279 A280M275-N277 PolarHBondContact O-N 3.35Å; N277-W279 PolarHBondContact O-N 3.4Å; N277-W279 VanDerWaalsContact O-N 3.16Å; N277-W279 WeakPolarHBondContact OD1-CB 3.09Å; N277-W279 PolarHBondContact OD1-N 3.01Å; N277-A280 PolarHBondContact O-N 3.45Å
278P68.3Low53.7Low111 Ų111123.7 Ų123.772%0.72177%0.767SS**THydrogen-bonded Turntrans-70.6-6.4178.430.6-36000113.6P276P276-P278 WeakPolarHBondContact O-CD 3.31Å
279W68.6Low53.7Low222 Ų222128.1 Ų128.184%0.84177%0.771SS**THydrogen-bonded Turntrans-100.86.3177.5-57.6-54.5000114.2N277N277-W279 PolarHBondContact O-N 3.4Å; N277-W279 VanDerWaalsContact O-N 3.16Å; N277-W279 WeakPolarHBondContact OD1-CB 3.09Å; N277-W279 PolarHBondContact OD1-N 3.01Å
280A68.7Low53.3Low61 Ų61130.3 Ų130.350%0.50477%0.771SS.*SBendtrans-76.9133.2168.900000110N277 A282N277-A280 PolarHBondContact O-N 3.45Å; A280-A282 PolarHBondContact O-N 2.9Å
281P59.2Low52.9Low120 Ų120129.9 Ų129.978%0.77977%0.77SS**  trans-61.7127.3-179.423.9-32.3000110.9T283P281-T283 PolarHBondContact O-N 3.48Å; P281-T283 VanDerWaalsContact O-N 3.14Å
282A57.4Low52.4Low95 Ų95130.5 Ų130.579%0.78576%0.764SS**  trans-68.7107.3176.900000110.3A280 N284A280-A282 PolarHBondContact O-N 2.9Å; A282-N284 PolarHBondContact O-N 2.97Å
283T53.5Low51.6Low139 Ų139131.5 Ų131.585%0.85377%0.77SS**  trans-7095.9171.1-460000109.2P281 N285P281-T283 PolarHBondContact O-N 3.48Å; P281-T283 VanDerWaalsContact O-N 3.14Å; T283-N285 PolarHBondContact O-N 2.7Å
284N45.6Very low50.7Low159 Ų159130.1 Ų130.185%0.8577%0.773SS**  trans-73.1107.4173.9-107.3-18000110A282A282-N284 PolarHBondContact O-N 2.97Å
285N46Very low49.4Very low153 Ų153128.1 Ų128.182%0.81877%0.768SS**  trans-87.6107.9165.7-161.235.4000108.6T283T283-N285 PolarHBondContact O-N 2.7Å
286A36.9Very low47.7Very low85 Ų85126 Ų12670%0.70277%0.767SS**  trans-75.6130.717900000111.1
287T35.8Very low46Very low134 Ų134123.5 Ų123.582%0.82275%0.752SS**  trans-136.5108.3152.9-61.80000109.3
288T32.6Very low44.3Very low113 Ų113124.3 Ų124.369%0.69377%0.765SS**  trans-48.2132.2174.3-50.30000114.2
289N37Very low43Very low173 Ų173125.2 Ų125.293%0.92577%0.768SS**  trans-158.5130.1133-100.7-26.6000111.7
290N34.5Very low41.7Very low138 Ų138120.2 Ų120.274%0.73876%0.758SS**  trans-115.1132.6-164.8170.536.7000109.3
291S36.6Very low40.4Very low105 Ų105121.5 Ų121.573%0.73476%0.763SS**  trans-165.494151.6530000111.8
292T31Very low39.5Very low115 Ų115123.2 Ų123.271%0.70677%0.766SS**  trans39.3118.8130.1380000120.8
293T34.4Very low39.2Very low149 Ų149128 Ų12891%0.91476%0.764SS**  -169.9154.9124.218.30000112.3
294T38.2Very low39.2Very low143 Ų143128.8 Ų128.888%0.87776%0.763SS**  trans-89.7153.3-153.543.90000116.6
295A35.9Very low39.6Very low84 Ų84124.3 Ų124.369%0.69474%0.744SS**  trans-129.5146.5174.700000113.7
296P37.9Very low40Very low132 Ų132121.8 Ų121.886%0.85773%0.73SS**  trans-111.5161161.436.5-24.6000113.5
297S35Very low41Very low70 Ų70125.3 Ų125.349%0.4973%0.73SS.*  trans-101.9153-166540000115.9R102R102-S297 PolarHBondContact NH2-OG 3.46Å
298S38Very low42.4Very low109 Ų109123.8 Ų123.876%0.76272%0.72SS**  trans-169.7129.1139.666.80000114.6
299V40.3Very low43.9Very low130 Ų130124.6 Ų124.679%0.78872%0.716SS**  trans50.9119.2131.8-172.60000119.6
300N41Very low45.4Very low118 Ų118120.8 Ų120.863%0.63170%0.699SS**  trans-142.1121.6148.8-161.536.5000112.1
301S42Very low46.7Very low87 Ų87119.6 Ų119.661%0.60869%0.691SS**  trans-100.8142.5170.4-58.10000108.5
302N39.8Very low48.1Very low157 Ų157120.6 Ų120.684%0.8469%0.687SS**  trans37.794.9143.8-13140.4000118.1
303R51.5Low50Low196 Ų196120.9 Ų120.974%0.7469%0.685SS**  trans-126.823.1-178.9-95.7-169.3-173.51633.1116
304N53.6Low51.4Low155 Ų155120.2 Ų120.283%0.82967%0.671SS**SBendtrans-97.90.6-176.2-123.4-4.9000115.2
305S54Low52.5Low65 Ų65119.2 Ų119.246%0.45566%0.659SS.*SBendtrans-95.1-14.4-176.848.10000115.4
306D54Low54.1Low99 Ų99119.5 Ų119.553%0.52966%0.657SS.*Hα-helixtrans-86.7-21.1-171.3-77.4-82.1000114.8T310D306-T310 PolarHBondContact O-N 3.15Å; D306-T310 PolarHBondContact O-OG1 3.06Å
307F58.7Low55.6Low159 Ų159117 Ų11770%0.69764%0.642SS**Hα-helixtrans-72.3-35.3-179.5-174.8-107.5000112.6M311F307-M311 PolarHBondContact O-N 3.28Å
308V64.2Low56.9Low102 Ų102115.3 Ų115.362%0.61863%0.631SS**Hα-helixtrans-74.2-35.4-178.9-176.50000111.8M311 L312V308-M311 PolarHBondContact O-N 3.46Å; V308-L312 PolarHBondContact O-N 2.81Å; V308-L312 VanDerWaalsContact O-N 3.12Å
309Q63.5Low58.2Low131 Ų131114.7 Ų114.761%0.61262%0.624SS**Hα-helixtrans-68.4-36.5176.3-68.6-178.125.600111.9N313Q309-N313 PolarHBondContact O-N 3.22Å
310T69.7Low59.9Low92 Ų92115.4 Ų115.456%0.56462%0.619SS**Hα-helixtrans-67.1-37.6177.1-52.40000111.5D306 Q314D306-T310 PolarHBondContact O-N 3.15Å; D306-T310 PolarHBondContact O-OG1 3.06Å; T310-Q314 PolarHBondContact O-N 3.23Å
311M62.3Low61.3Low113 Ų113115.5 Ų115.556%0.55762%0.618SS**Hα-helixtrans-74.9-32179.2-168.6150.5177.300113.5F307 V308 Q314 L315F307-M311 PolarHBondContact O-N 3.28Å; V308-M311 PolarHBondContact O-N 3.46Å; M311-Q314 PolarHBondContact O-N 2.73Å; M311-L315 PolarHBondContact O-N 2.94Å
312L65.6Low62.4Low127 Ų127115.5 Ų115.567%0.66561%0.614SS**Hα-helixtrans-70-36.7177.4-17359.6000112.4V308 Q314 L315 S316V308-L312 PolarHBondContact O-N 2.81Å; V308-L312 VanDerWaalsContact O-N 3.12Å; L312-Q314 VanDerWaalsContact C-N 3.31Å; L312-Q314 PolarHBondContact O-N 3.09Å; L312-L315 PolarHBondContact O-N 3.06Å; L312-S316 PolarHBondContact O-N 3.29Å; L312-S316 PolarHBondContact O-OG 3.36Å
313N71.3Confident63.8Low121 Ų121111.2 Ų111.265%0.64760%0.597SS**Hα-helixtrans-69-29174.9-112.3-0.6000113Q309 S316 S317Q309-N313 PolarHBondContact O-N 3.22Å; N313-S316 WeakPolarHBondContact CA-OG 3.12Å; N313-S316 PolarHBondContact O-OG 3.39Å; N313-S317 PolarHBondContact O-OG 2.96Å
314Q62.7Low64.5Low134 Ų134106.5 Ų106.563%0.62659%0.586SS**Hα-helixtrans-72-33.6175.4-164.6115.647.900112.2T310 M311 L312 S317 S318T310-Q314 PolarHBondContact O-N 3.23Å; M311-Q314 PolarHBondContact O-N 2.73Å; L312-Q314 VanDerWaalsContact C-N 3.31Å; L312-Q314 PolarHBondContact O-N 3.09Å; Q314-S317 WeakPolarHBondContact CA-OG 3.39Å; Q314-S317 PolarHBondContact O-OG 3.45Å; Q314-S317 VanDerWaalsContact O-OG 3.08Å; Q314-S318 PolarHBondContact O-OG 2.93Å
315L61.9Low65Low122 Ų122101 Ų10164%0.63956%0.562SS**Hα-helixtrans-74.3-37177.2-118.2112.9000112.6M311 L312 S317M311-L315 PolarHBondContact O-N 2.94Å; L312-L315 PolarHBondContact O-N 3.06Å; L315-S317 PolarHBondContact O-N 3.45Å
316S70.2Confident65.4Low91 Ų91103.3 Ų103.364%0.63656%0.564SS**THydrogen-bonded Turntrans-69.9-15.7176.950.90000114.3L312 N313L312-S316 PolarHBondContact O-N 3.29Å; L312-S316 PolarHBondContact O-OG 3.36Å; N313-S316 WeakPolarHBondContact CA-OG 3.12Å; N313-S316 PolarHBondContact O-OG 3.39Å
317S68.6Low66.1Low78 Ų78105.1 Ų105.155%0.54557%0.57SS.*THydrogen-bonded Turntrans-101.70.7-173.743.40000114N313 Q314 L315 P319N313-S317 PolarHBondContact O-OG 2.96Å; Q314-S317 WeakPolarHBondContact CA-OG 3.39Å; Q314-S317 PolarHBondContact O-OG 3.45Å; Q314-S317 VanDerWaalsContact O-OG 3.08Å; L315-S317 PolarHBondContact O-N 3.45Å; S317-P319 VanDerWaalsContact C-CD 3.44Å; S317-P319 VanDerWaalsContact O-CD 3.25Å; S317-P319 WeakPolarHBondContact O-CD 3.39Å
318S62.3Low66.7Low36 Ų36100.5 Ų100.525%0.25256%0.555SS.*  trans-121.570.2-174.7-570000112.9Q314 E320 L321Q314-S318 PolarHBondContact O-OG 2.93Å; S318-E320 PolarHBondContact O-N 2.79Å; S318-L321 WeakPolarHBondContact O-CB 3.09Å; S318-L321 PolarHBondContact O-N 2.99Å; S318-L321 VanDerWaalsContact O-N 3.1Å
319P65.3Low67Low95 Ų95100.4 Ų100.462%0.61756%0.556SS**Hα-helixtrans-62.2-22.4177.724.9-33.1000113.5S317 L321 V322 S323S317-P319 VanDerWaalsContact C-CD 3.44Å; S317-P319 VanDerWaalsContact O-CD 3.25Å; S317-P319 WeakPolarHBondContact O-CD 3.39Å; P319-L321 VanDerWaalsContact C-N 3.31Å; P319-L321 PolarHBondContact O-N 2.94Å; P319-V322 PolarHBondContact O-N 2.79Å; P319-S323 PolarHBondContact O-N 3.48Å; P319-S323 VanDerWaalsContact O-N 3.14Å
320E76.2Confident67.5Low146 Ų146100.4 Ų100.468%0.68255%0.551SS**Hα-helixtrans-66.1-30.9174.8-64.7-83.610700112.5S318 N324S318-E320 PolarHBondContact O-N 2.79Å; E320-N324 PolarHBondContact O-N 3.09Å; E320-N324 VanDerWaalsContact O-N 3.07Å; E320-N324 PolarHBondContact O-ND2 3.37Å
321L71Confident67.7Low119 Ų11998 Ų9862%0.62354%0.536SS*.Hα-helixtrans-71.7-34176.2-71.7173.7000111.3S318 P319 A325S318-L321 WeakPolarHBondContact O-CB 3.09Å; S318-L321 PolarHBondContact O-N 2.99Å; S318-L321 VanDerWaalsContact O-N 3.1Å; P319-L321 VanDerWaalsContact C-N 3.31Å; P319-L321 PolarHBondContact O-N 2.94Å; L321-A325 VanDerWaalsContact O-CB 3.25Å; L321-A325 WeakPolarHBondContact O-CB 3.18Å; L321-A325 PolarHBondContact O-N 3.39Å
322V65Low68.3Low87 Ų8798.1 Ų98.153%0.52754%0.536SS..Hα-helixtrans-70-40.1175.5178.90000110.9P319 A325 F326P319-V322 PolarHBondContact O-N 2.79Å; V322-A325 WeakPolarHBondContact O-CB 3.06Å; V322-A325 PolarHBondContact O-N 2.88Å; V322-F326 HydrophobicContact CG1-CD2 4.48Å; V322-F326 PolarHBondContact O-N 3.46Å
323S68Low68.9Low68 Ų6894.8 Ų94.848%0.47653%0.526SS..Hα-helixtrans-67.5-37.6178-156.30000112.2P319P319-S323 PolarHBondContact O-N 3.48Å; P319-S323 VanDerWaalsContact O-N 3.14Å
324N65.6Low68.9Low96 Ų9692.4 Ų92.451%0.51351%0.512SS..Hα-helixtrans-71.2-35.1171.4-83-65.5000112.1E320 F326 Q327 V328E320-N324 PolarHBondContact O-N 3.09Å; E320-N324 VanDerWaalsContact O-N 3.07Å; E320-N324 PolarHBondContact O-ND2 3.37Å; N324-F326 VanDerWaalsContact C-N 3.33Å; N324-F326 PolarHBondContact O-N 3.1Å; N324-Q327 PolarHBondContact O-N 2.87Å; N324-V328 VanDerWaalsContact O-CG2 3.28Å; N324-V328 WeakPolarHBondContact O-CG2 3.37Å; N324-V328 PolarHBondContact O-N 3.03Å
325A65.9Low69.2Low40 Ų4090 Ų9033%0.33150%0.503SS..Hα-helixtrans-60.8-39.8175.500000112.2L321 V322 Q327 V328 V331L321-A325 VanDerWaalsContact O-CB 3.25Å; L321-A325 WeakPolarHBondContact O-CB 3.18Å; L321-A325 PolarHBondContact O-N 3.39Å; V322-A325 WeakPolarHBondContact O-CB 3.06Å; V322-A325 PolarHBondContact O-N 2.88Å; A325-Q327 VanDerWaalsContact C-N 3.26Å; A325-Q327 PolarHBondContact O-N 2.79Å; A325-V328 WeakPolarHBondContact O-CB 3.48Å; A325-V328 WeakPolarHBondContact O-CG2 3.32Å; A325-V328 PolarHBondContact O-N 2.74Å; A325-V331 WeakPolarHBondContact O-CB 3.15Å; A325-V331 WeakPolarHBondContact O-CG2 3.18Å
326F61.9Low70Confident113 Ų11390.8 Ų90.850%0.49650%0.504SS..Hα-helixtrans-68.9-19.6176.9-105.2-87.6000114.7V322 N324 L335V322-F326 HydrophobicContact CG1-CD2 4.48Å; V322-F326 PolarHBondContact O-N 3.46Å; N324-F326 VanDerWaalsContact C-N 3.33Å; N324-F326 PolarHBondContact O-N 3.1Å; F326-L335 HydrophobicContact CE1-CD2 4.31Å
327Q67.5Low70Confident138 Ų13888.3 Ų88.365%0.64549%0.489SS*.THydrogen-bonded Turntrans-89.9-5.4175.6-74.4174.110.800112.9N324 A325N324-Q327 PolarHBondContact O-N 2.87Å; A325-Q327 VanDerWaalsContact C-N 3.26Å; A325-Q327 PolarHBondContact O-N 2.79Å
328V71.4Confident70Confident62 Ų6287.6 Ų87.638%0.37648%0.477SS..SBendtrans-73.3130.3177.9-170.70000109.1N324 A325 Y330 V331 Q332N324-V328 VanDerWaalsContact O-CG2 3.28Å; N324-V328 WeakPolarHBondContact O-CG2 3.37Å; N324-V328 PolarHBondContact O-N 3.03Å; A325-V328 WeakPolarHBondContact O-CB 3.48Å; A325-V328 WeakPolarHBondContact O-CG2 3.32Å; A325-V328 PolarHBondContact O-N 2.74Å; V328-Y330 PolarHBondContact O-N 3.15Å; V328-V331 HydrophobicContact CB-CG2 4.32Å; V328-V331 PolarHBondContact O-N 3.03Å; V328-Q332 PolarHBondContact O-N 3.45Å; V328-Q332 VanDerWaalsContact O-N 3.15Å
329P71.8Confident70.8Confident100 Ų10090.4 Ų90.465%0.64950%0.497SS*.Hα-helixtrans-56.9-24.8177.419.9-31.8000113.1A333P329-A333 WeakPolarHBondContact O-CB 3.43Å; P329-A333 PolarHBondContact O-N 3.1Å
330Y74.1Confident71.5Confident130 Ų13089 Ų8951%0.5149%0.493SS..Hα-helixtrans-67.3-39.4172.4-174.6-97.8000113.4L144 V328 A333 M334L144-Y330 HydrophobicContact CD1-CE1 4.24Å; L144-Y330 HydrophobicContact CD1-CE2 4.37Å; L144-Y330 WeakPolarHBondContact CD1-OH 3.47Å; V328-Y330 PolarHBondContact O-N 3.15Å; Y330-A333 PolarHBondContact O-N 3.4Å; Y330-M334 WeakPolarHBondContact O-CB 3.36Å; Y330-M334 PolarHBondContact O-N 2.87Å
331V74Confident71.5Confident42 Ų4285.9 Ų85.926%0.25548%0.482SS..Hα-helixtrans-76.8-31.8178.5175.40000110.9A325 V328 M334 L335A325-V331 WeakPolarHBondContact O-CB 3.15Å; A325-V331 WeakPolarHBondContact O-CG2 3.18Å; V328-V331 HydrophobicContact CB-CG2 4.32Å; V328-V331 PolarHBondContact O-N 3.03Å; V331-M334 PolarHBondContact O-N 3.14Å; V331-L335 VanDerWaalsContact O-CB 3.31Å; V331-L335 WeakPolarHBondContact O-CB 3.31Å; V331-L335 PolarHBondContact O-N 3.4Å
332Q74.4Confident71.5Confident116 Ų11684.8 Ų84.854%0.54248%0.482SS..Hα-helixtrans-62-47167.5-76-178.4-3.300111.5V328 M334 L335 E336V328-Q332 PolarHBondContact O-N 3.45Å; V328-Q332 VanDerWaalsContact O-N 3.15Å; Q332-M334 VanDerWaalsContact C-N 3.29Å; Q332-M334 PolarHBondContact O-N 3.3Å; Q332-L335 PolarHBondContact O-N 2.78Å; Q332-E336 VanDerWaalsContact O-CB 3.22Å; Q332-E336 WeakPolarHBondContact O-CB 3.28Å; Q332-E336 PolarHBondContact O-N 2.87Å
333A77.1Confident72.4Confident56 Ų5684.1 Ų84.146%0.46348%0.481SS..Hα-helixtrans-62.9-34.7176.100000112.6P329 Y330 A337P329-A333 WeakPolarHBondContact O-CB 3.43Å; P329-A333 PolarHBondContact O-N 3.1Å; Y330-A333 PolarHBondContact O-N 3.4Å; A333-A337 WeakPolarHBondContact O-CB 3.33Å; A333-A337 PolarHBondContact O-N 3.46Å
334M73Confident72.8Confident72 Ų7283.8 Ų83.836%0.35548%0.476SS..Hα-helixtrans-72.9-41.3176.2-174.5161-179.800112.5Y330 V331 Q332 E336 A337 M338 L348Y330-M334 WeakPolarHBondContact O-CB 3.36Å; Y330-M334 PolarHBondContact O-N 2.87Å; V331-M334 PolarHBondContact O-N 3.14Å; Q332-M334 VanDerWaalsContact C-N 3.29Å; Q332-M334 PolarHBondContact O-N 3.3Å; M334-E336 VanDerWaalsContact C-N 3.29Å; M334-A337 PolarHBondContact O-N 3.3Å; M334-M338 HydrophobicContact CE-SD 4.4Å; M334-M338 HydrophobicContact CG-SD 4.32Å; M334-M338 VanDerWaalsContact O-CB 3.32Å; M334-M338 WeakPolarHBondContact O-CB 3.29Å; M334-M338 VanDerWaalsContact O-CG 3.24Å; M334-M338 WeakPolarHBondContact O-CG 3.16Å; M334-M338 PolarHBondContact O-N 3.02Å; M334-L348 HydrophobicContact CE-CD1 3.56Å
335L68.7Low72.6Confident83 Ų8382.4 Ų82.444%0.43547%0.467SS..Hα-helixtrans-64.8-37.3174-175.564.3000111F326 V331 Q332 M338 S339F326-L335 HydrophobicContact CE1-CD2 4.31Å; V331-L335 VanDerWaalsContact O-CB 3.31Å; V331-L335 WeakPolarHBondContact O-CB 3.31Å; V331-L335 PolarHBondContact O-N 3.4Å; Q332-L335 PolarHBondContact O-N 2.78Å; L335-M338 PolarHBondContact O-N 3.35Å; L335-S339 VanDerWaalsContact O-CB 3.26Å; L335-S339 WeakPolarHBondContact O-CB 3.35Å; L335-S339 PolarHBondContact O-N 2.84Å; L335-S339 PolarHBondContact O-OG 3.5Å
336E78.2Confident72.8Confident139 Ų13984.3 Ų84.365%0.6547%0.469SS*.Hα-helixtrans-70-43.3176-163.3158.910900111Q332 M334 M338 S339 A340Q332-E336 VanDerWaalsContact O-CB 3.22Å; Q332-E336 WeakPolarHBondContact O-CB 3.28Å; Q332-E336 PolarHBondContact O-N 2.87Å; M334-E336 VanDerWaalsContact C-N 3.29Å; E336-M338 VanDerWaalsContact C-N 3.34Å; E336-M338 PolarHBondContact O-N 3.47Å; E336-S339 WeakPolarHBondContact CA-OG 3.19Å; E336-S339 PolarHBondContact O-N 3.24Å; E336-S339 PolarHBondContact O-OG 3.05Å; E336-A340 WeakPolarHBondContact O-CB 3.48Å; E336-A340 PolarHBondContact O-N 2.83Å
337A70.8Confident73.2Confident39 Ų3983.5 Ų83.532%0.32247%0.47SS..Hα-helixtrans-64.5-35.2173.200000112.8A333 M334 N341A333-A337 WeakPolarHBondContact O-CB 3.33Å; A333-A337 PolarHBondContact O-N 3.46Å; M334-A337 PolarHBondContact O-N 3.3Å; A337-N341 WeakPolarHBondContact O-CB 3.27Å; A337-N341 PolarHBondContact O-N 2.86Å
338M68.1Low73.1Confident62 Ų6280.3 Ų80.331%0.30546%0.457SS..Hα-helixtrans-70.3-38.4172.5-77.4176.368.700111.7M334 L335 E336 M345M334-M338 HydrophobicContact CE-SD 4.4Å; M334-M338 HydrophobicContact CG-SD 4.32Å; M334-M338 VanDerWaalsContact O-CB 3.32Å; M334-M338 WeakPolarHBondContact O-CB 3.29Å; M334-M338 VanDerWaalsContact O-CG 3.24Å; M334-M338 WeakPolarHBondContact O-CG 3.16Å; M334-M338 PolarHBondContact O-N 3.02Å; L335-M338 PolarHBondContact O-N 3.35Å; E336-M338 VanDerWaalsContact C-N 3.34Å; E336-M338 PolarHBondContact O-N 3.47Å; M338-M345 HydrophobicContact CE-CE 4.49Å; M338-M345 HydrophobicContact CE-CG 4.26Å; M338-M345 HydrophobicContact CE-SD 3.45Å; M338-M345 WeakPolarHBondContact CE-SD 3.3Å
339S78.6Confident72.6Confident95 Ų9578.8 Ų78.866%0.66445%0.446SS*.Hα-helixtrans-71.6-34.4177.276.80000112.7L335 E336L335-S339 VanDerWaalsContact O-CB 3.26Å; L335-S339 WeakPolarHBondContact O-CB 3.35Å; L335-S339 PolarHBondContact O-N 2.84Å; L335-S339 PolarHBondContact O-OG 3.5Å; E336-S339 WeakPolarHBondContact CA-OG 3.19Å; E336-S339 PolarHBondContact O-N 3.24Å; E336-S339 PolarHBondContact O-OG 3.05Å
340A80.9Confident72.2Confident66 Ų6679.6 Ų79.655%0.54544%0.443SS..Hα-helixtrans-83.3-29.3-179.300000111.9E336E336-A340 WeakPolarHBondContact O-CB 3.48Å; E336-A340 PolarHBondContact O-N 2.83Å
341N74.7Confident71.7Confident81 Ų8179.7 Ų79.743%0.43345%0.452SS..  trans-131.296.4-176.3-66.8-63.2000111.9A337 S343 V344A337-N341 WeakPolarHBondContact O-CB 3.27Å; A337-N341 PolarHBondContact O-N 2.86Å; N341-S343 PolarHBondContact O-N 2.85Å; N341-S343 VanDerWaalsContact O-N 3.13Å; N341-V344 HydrophobicContact CB-CB 4.14Å; N341-V344 HydrophobicContact CB-CG2 3.56Å; N341-V344 WeakPolarHBondContact O-CB 3.42Å; N341-V344 PolarHBondContact O-N 2.74Å
342P72.6Confident71.1Confident96 Ų9680.1 Ų80.162%0.62345%0.453SS*.Hα-helixtrans-58.9-25.6171.424.8-34000112.2V344 M345 E346P342-V344 VanDerWaalsContact C-N 3.3Å; P342-V344 PolarHBondContact O-N 3.49Å; P342-M345 PolarHBondContact O-N 3.32Å; P342-E346 PolarHBondContact O-N 2.91Å
343S82.4Confident70.6Confident72 Ų7279.2 Ų79.250%0.50346%0.457SS..Hα-helixtrans-67.1-26.1176.5-31.20000113.8N341 N347N341-S343 PolarHBondContact O-N 2.85Å; N341-S343 VanDerWaalsContact O-N 3.13Å; S343-N347 WeakPolarHBondContact O-CB 3.15Å; S343-N347 PolarHBondContact O-N 3.5Å; S343-N347 PolarHBondContact O-ND2 2.81Å
344V76.1Confident69.9Low62 Ų6283.4 Ų83.438%0.37647%0.469SS..Hα-helixtrans-73.6-39.6176.3172.80000109.6N341 P342 N347 L348N341-V344 HydrophobicContact CB-CB 4.14Å; N341-V344 HydrophobicContact CB-CG2 3.56Å; N341-V344 WeakPolarHBondContact O-CB 3.42Å; N341-V344 PolarHBondContact O-N 2.74Å; P342-V344 VanDerWaalsContact C-N 3.3Å; P342-V344 PolarHBondContact O-N 3.49Å; V344-N347 PolarHBondContact O-N 3.49Å; V344-L348 VanDerWaalsContact O-CB 3.25Å; V344-L348 WeakPolarHBondContact O-CB 3.46Å; V344-L348 PolarHBondContact O-N 3.23Å
345M62.9Low69.1Low67 Ų6781.8 Ų81.833%0.3346%0.461SS..Hα-helixtrans-69.3-38.6173.9-176.3153.8170.500112M338 P342 L348 I349M338-M345 HydrophobicContact CE-CE 4.49Å; M338-M345 HydrophobicContact CE-CG 4.26Å; M338-M345 HydrophobicContact CE-SD 3.45Å; M338-M345 WeakPolarHBondContact CE-SD 3.3Å; P342-M345 PolarHBondContact O-N 3.32Å; M345-L348 PolarHBondContact O-N 3.45Å; M345-I349 HydrophobicContact CE-CD1 3.85Å; M345-I349 HydrophobicContact CG-CD1 3.61Å; M345-I349 HydrophobicContact CG-CG1 4.29Å; M345-I349 VanDerWaalsContact O-CB 3.31Å; M345-I349 WeakPolarHBondContact O-CB 3.31Å; M345-I349 WeakPolarHBondContact O-CG1 3.44Å; M345-I349 PolarHBondContact O-N 3.03Å
346E70.3Confident68.7Low79 Ų7981 Ų8137%0.36946%0.462SS..Hα-helixtrans-60.9-45.4173.4-162.791-156.900111.2P342 L348 I349 M350 R367P342-E346 PolarHBondContact O-N 2.91Å; E346-L348 PolarHBondContact O-N 2.9Å; E346-I349 PolarHBondContact O-N 2.87Å; E346-M350 HydrophobicContact CG-SD 4.41Å; E346-M350 VanDerWaalsContact O-CB 3.25Å; E346-M350 WeakPolarHBondContact O-CB 3.3Å; E346-M350 WeakPolarHBondContact O-CG 3.43Å; E346-M350 PolarHBondContact O-N 3.4Å; E346-R367 IonicContact OE1-NH1 3.64Å
347N68.4Low68.1Low96 Ų9678.6 Ų78.651%0.51346%0.461SS..Hα-helixtrans-65.5-37.8175.1-89.9-68.7000112.2S343 V344 M350 N351S343-N347 WeakPolarHBondContact O-CB 3.15Å; S343-N347 PolarHBondContact O-N 3.5Å; S343-N347 PolarHBondContact O-ND2 2.81Å; V344-N347 PolarHBondContact O-N 3.49Å; N347-M350 PolarHBondContact O-N 3.4Å; N347-N351 WeakPolarHBondContact O-CB 3.4Å; N347-N351 PolarHBondContact O-N 3.42Å
348L66.8Low67.5Low72 Ų7279.4 Ų79.438%0.37746%0.462SS..Hα-helixtrans-71.4-33.9178-153.4141.5000110.9M334 V344 M345 E346 N352M334-L348 HydrophobicContact CE-CD1 3.56Å; V344-L348 VanDerWaalsContact O-CB 3.25Å; V344-L348 WeakPolarHBondContact O-CB 3.46Å; V344-L348 PolarHBondContact O-N 3.23Å; M345-L348 PolarHBondContact O-N 3.45Å; E346-L348 PolarHBondContact O-N 2.9Å; L348-N352 WeakPolarHBondContact O-CB 3.4Å; L348-N352 PolarHBondContact O-N 2.81Å
349I61.2Low67.3Low29 Ų2981.4 Ų81.415%0.14947%0.474CS..Hα-helixtrans-75.4-33.2174.7-70.8168.1000112.1M345 E346 I355 R363 L370M345-I349 HydrophobicContact CE-CD1 3.85Å; M345-I349 HydrophobicContact CG-CD1 3.61Å; M345-I349 HydrophobicContact CG-CG1 4.29Å; M345-I349 VanDerWaalsContact O-CB 3.31Å; M345-I349 WeakPolarHBondContact O-CB 3.31Å; M345-I349 WeakPolarHBondContact O-CG1 3.44Å; M345-I349 PolarHBondContact O-N 3.03Å; E346-I349 PolarHBondContact O-N 2.87Å; I349-I355 HydrophobicContact CG1-CD1 4.11Å; I349-I355 HydrophobicContact CG2-CG2 4.02Å; I349-R363 PolarHBondContact O-NH2 2.73Å; I349-L370 HydrophobicContact CD1-CD2 4.29Å
350M63.1Low67Low117 Ų11781.1 Ų81.158%0.57647%0.47SS*.Hα-helixtrans-77.5-40.1177-81.7-174.9156.600112.7E346 N347E346-M350 HydrophobicContact CG-SD 4.41Å; E346-M350 VanDerWaalsContact O-CB 3.25Å; E346-M350 WeakPolarHBondContact O-CB 3.3Å; E346-M350 WeakPolarHBondContact O-CG 3.43Å; E346-M350 PolarHBondContact O-N 3.4Å; N347-M350 PolarHBondContact O-N 3.4Å
351N63.8Low66.8Low132 Ų13283.8 Ų83.871%0.70648%0.475SS*.Hα-helixtrans-95.1-7.2-177.5-81.2-3.6000114.8N347 P353N347-N351 WeakPolarHBondContact O-CB 3.4Å; N347-N351 PolarHBondContact O-N 3.42Å; N351-P353 WeakPolarHBondContact O-CD 3.16Å
352N60.8Low66.6Low52 Ų5282.5 Ų82.528%0.27847%0.47SS..  trans-79.5113.9178.7-168.48.1000110.5L348 M354 I355 S356L348-N352 WeakPolarHBondContact O-CB 3.4Å; L348-N352 PolarHBondContact O-N 2.81Å; N352-M354 PolarHBondContact O-N 2.86Å; N352-M354 PolarHBondContact OD1-N 2.97Å; N352-I355 HydrophobicContact CB-CB 4.49Å; N352-I355 HydrophobicContact CB-CD1 4.19Å; N352-I355 HydrophobicContact CB-CG1 4.27Å; N352-I355 PolarHBondContact O-N 2.86Å; N352-S356 PolarHBondContact O-N 3.16Å; N352-S356 VanDerWaalsContact O-N 3.1Å
353P64.3Low66.5Low96 Ų9681.7 Ų81.762%0.62345%0.454SS*.THydrogen-bonded Turntrans-60.9-15.5178.624.8-34.3000113.4N351 S356 S357N351-P353 WeakPolarHBondContact O-CD 3.16Å; P353-S356 VanDerWaalsContact CA-OG 3.3Å; P353-S356 WeakPolarHBondContact CA-OG 3.07Å; P353-S356 PolarHBondContact O-OG 3.37Å; P353-S357 PolarHBondContact O-OG 3.2Å
354M61.8Low66.2Low144 Ų14483.1 Ų83.171%0.70946%0.456SS*.THydrogen-bonded Turntrans-79.3-23173.1-74.1-100-99.600113.8N352 S357 V358N352-M354 PolarHBondContact O-N 2.86Å; N352-M354 PolarHBondContact OD1-N 2.97Å; M354-S357 PolarHBondContact O-OG 3.15Å; M354-S357 VanDerWaalsContact O-OG 3.13Å; M354-V358 WeakPolarHBondContact O-CG2 3.24Å
355I57.4Low66Low39 Ų3985.8 Ų85.820%0.247%0.465CS..THydrogen-bonded Turntrans-102-22.8-179.7-57.7173.3000110.4I349 N352 S357 V358 R363I349-I355 HydrophobicContact CG1-CD1 4.11Å; I349-I355 HydrophobicContact CG2-CG2 4.02Å; N352-I355 HydrophobicContact CB-CB 4.49Å; N352-I355 HydrophobicContact CB-CD1 4.19Å; N352-I355 HydrophobicContact CB-CG1 4.27Å; N352-I355 PolarHBondContact O-N 2.86Å; I355-S357 VanDerWaalsContact C-N 3.26Å; I355-S357 PolarHBondContact O-N 3.26Å; I355-V358 PolarHBondContact O-N 3.27Å; I355-R363 PolarHBondContact O-NE 3.35Å
356S58.9Low66.1Low65 Ų6586.7 Ų86.746%0.45547%0.469SS..THydrogen-bonded Turntrans-72.9-17.516962.50000114.6N352 P353 R363N352-S356 PolarHBondContact O-N 3.16Å; N352-S356 VanDerWaalsContact O-N 3.1Å; P353-S356 VanDerWaalsContact CA-OG 3.3Å; P353-S356 WeakPolarHBondContact CA-OG 3.07Å; P353-S356 PolarHBondContact O-OG 3.37Å; S356-R363 VanDerWaalsContact CA-CZ 3.49Å
357S65.7Low66.3Low89 Ų8990.4 Ų90.462%0.62248%0.48SS*.THydrogen-bonded Turntrans-89.2-6.7171.745.10000113.6P353 M354 I355P353-S357 PolarHBondContact O-OG 3.2Å; M354-S357 PolarHBondContact O-OG 3.15Å; M354-S357 VanDerWaalsContact O-OG 3.13Å; I355-S357 VanDerWaalsContact C-N 3.26Å; I355-S357 PolarHBondContact O-N 3.26Å
358V58.4Low66.5Low57 Ų5793.4 Ų93.435%0.34549%0.491SS..SBendtrans-80.8135.8176.1171.70000109.6M354 I355 V362M354-V358 WeakPolarHBondContact O-CG2 3.24Å; I355-V358 PolarHBondContact O-N 3.27Å; V358-V362 HydrophobicContact CG1-CB 3.68Å; V358-V362 HydrophobicContact CG1-CG1 3.46Å; V358-V362 VanDerWaalsContact CG1-CG1 3.46Å
359N64.5Low66.5Low104 Ų10494.4 Ų94.456%0.55650%0.495SS*.  trans-37.9135.9-176.4-94.814.6000113.2N361 V362 R363N359-N361 PolarHBondContact O-N 3.47Å; N359-V362 HydrophobicContact CB-CB 4.18Å; N359-V362 HydrophobicContact CB-CG2 3.83Å; N359-V362 WeakPolarHBondContact O-CA 3.24Å; N359-V362 WeakPolarHBondContact O-CB 3.25Å; N359-V362 PolarHBondContact O-N 2.78Å; N359-R363 PolarHBondContact O-N 2.71Å
360P72Confident66.8Low88 Ų8895.3 Ų95.357%0.57150%0.5SS*.Hα-helixtrans-54.6-39.7177.620.5-31.4000112.1V362 R363 D364P360-V362 VanDerWaalsContact C-N 3.3Å; P360-V362 PolarHBondContact O-N 2.75Å; P360-R363 WeakPolarHBondContact O-CB 3.09Å; P360-R363 PolarHBondContact O-N 3.26Å; P360-R363 VanDerWaalsContact O-N 3.13Å; P360-D364 PolarHBondContact O-N 3.42Å
361N76.3Confident67.3Low123 Ų12393.4 Ų93.466%0.65850%0.496SS*.Hα-helixtrans-61.1-33.6175.1-63.9-33.9000113.8N359 Q365N359-N361 PolarHBondContact O-N 3.47Å; N361-Q365 WeakPolarHBondContact O-CB 3.34Å; N361-Q365 PolarHBondContact O-N 2.75Å; N361-Q365 VanDerWaalsContact O-N 3.09Å
362V71.5Confident68Low53 Ų5393.9 Ų93.932%0.32149%0.494SS..Hα-helixtrans-78-32.3178.1175.10000110.3V358 N359 P360 Q365 M366V358-V362 HydrophobicContact CG1-CB 3.68Å; V358-V362 HydrophobicContact CG1-CG1 3.46Å; V358-V362 VanDerWaalsContact CG1-CG1 3.46Å; N359-V362 HydrophobicContact CB-CB 4.18Å; N359-V362 HydrophobicContact CB-CG2 3.83Å; N359-V362 WeakPolarHBondContact O-CA 3.24Å; N359-V362 WeakPolarHBondContact O-CB 3.25Å; N359-V362 PolarHBondContact O-N 2.78Å; P360-V362 VanDerWaalsContact C-N 3.3Å; P360-V362 PolarHBondContact O-N 2.75Å; V362-Q365 PolarHBondContact O-N 3.03Å; V362-M366 WeakPolarHBondContact O-CB 3.5Å; V362-M366 PolarHBondContact O-N 2.96Å
363R69.5Low68.3Low80 Ų8094 Ų9430%0.30249%0.494SS..Hα-helixtrans-65.4-40.9173.8-124.4177.9-179.1170.6-1.5112.1I349 I355 S356 N359 P360 R367I349-R363 PolarHBondContact O-NH2 2.73Å; I355-R363 PolarHBondContact O-NE 3.35Å; S356-R363 VanDerWaalsContact CA-CZ 3.49Å; N359-R363 PolarHBondContact O-N 2.71Å; P360-R363 WeakPolarHBondContact O-CB 3.09Å; P360-R363 PolarHBondContact O-N 3.26Å; P360-R363 VanDerWaalsContact O-N 3.13Å; R363-R367 WeakPolarHBondContact O-CB 3.44Å; R363-R367 PolarHBondContact O-N 2.72Å
364D75.8Confident68.5Low102 Ų10292.2 Ų92.255%0.54549%0.487SS..Hα-helixtrans-69.5-40.6174-77.9-57.5000112.3P360 M366 R367 Q368P360-D364 PolarHBondContact O-N 3.42Å; D364-M366 VanDerWaalsContact C-N 3.34Å; D364-M366 PolarHBondContact O-N 3.32Å; D364-R367 PolarHBondContact O-N 3.45Å; D364-Q368 WeakPolarHBondContact O-CB 3.42Å; D364-Q368 PolarHBondContact O-N 3.39Å
365Q72.9Confident69Low118 Ų11891.2 Ų91.255%0.55149%0.485SS*.Hα-helixtrans-62.7-40.8173.5-173.8174.733.600112.1N361 V362 Q368 M369N361-Q365 WeakPolarHBondContact O-CB 3.34Å; N361-Q365 PolarHBondContact O-N 2.75Å; N361-Q365 VanDerWaalsContact O-N 3.09Å; V362-Q365 PolarHBondContact O-N 3.03Å; Q365-Q368 PolarHBondContact O-N 3.2Å; Q365-M369 HydrophobicContact CG-CE 4.45Å; Q365-M369 VanDerWaalsContact O-CB 3.29Å; Q365-M369 WeakPolarHBondContact O-CB 2.97Å; Q365-M369 PolarHBondContact O-N 3.19Å
366M65Low69.3Low86 Ų8693.8 Ų93.842%0.42450%0.496SS..Hα-helixtrans-70.7-36.9178.8-165.6177.4-80.600111.2V362 D364 Q368 M369 L370V362-M366 WeakPolarHBondContact O-CB 3.5Å; V362-M366 PolarHBondContact O-N 2.96Å; D364-M366 VanDerWaalsContact C-N 3.34Å; D364-M366 PolarHBondContact O-N 3.32Å; M366-Q368 VanDerWaalsContact C-N 3.33Å; M366-Q368 PolarHBondContact O-N 3.07Å; M366-M369 PolarHBondContact O-N 2.79Å; M366-L370 HydrophobicContact CG-CD1 3.74Å; M366-L370 WeakPolarHBondContact O-CB 3.09Å; M366-L370 WeakPolarHBondContact O-CD1 3.34Å; M366-L370 PolarHBondContact O-N 3.11Å
367R73.5Confident69.5Low157 Ų15794.9 Ų94.959%0.59250%0.496SS*.Hα-helixtrans-62.1-38.4170.3-89.6176.168.495.2-5.6112.6E346 R363 D364 P371E346-R367 IonicContact OE1-NH1 3.64Å; R363-R367 WeakPolarHBondContact O-CB 3.44Å; R363-R367 PolarHBondContact O-N 2.72Å; D364-R367 PolarHBondContact O-N 3.45Å; R367-P371 WeakPolarHBondContact O-CD 3.17Å
368Q74.2Confident69.7Low158 Ų15897.1 Ų97.174%0.73850%0.501SS*.Hα-helixtrans-75.5-29.5177.8-165.6160.93100112.5D364 Q365 M366D364-Q368 WeakPolarHBondContact O-CB 3.42Å; D364-Q368 PolarHBondContact O-N 3.39Å; Q365-Q368 PolarHBondContact O-N 3.2Å; M366-Q368 VanDerWaalsContact C-N 3.33Å; M366-Q368 PolarHBondContact O-N 3.07Å
369M66.9Low70.3Confident94 Ų9499 Ų9946%0.46351%0.505SS..Hα-helixtrans-82.2-30.2176.5-165.4-174.6-60.300112.9Q365 M366 Q372 L373Q365-M369 HydrophobicContact CG-CE 4.45Å; Q365-M369 VanDerWaalsContact O-CB 3.29Å; Q365-M369 WeakPolarHBondContact O-CB 2.97Å; Q365-M369 PolarHBondContact O-N 3.19Å; M366-M369 PolarHBondContact O-N 2.79Å; M369-Q372 CarbonylContact O-C 3.01Å; M369-Q372 PolarHBondContact O-N 3.41Å; M369-L373 HydrophobicContact CG-CB 4.42Å; M369-L373 VanDerWaalsContact O-CB 3.29Å; M369-L373 WeakPolarHBondContact O-CB 3.48Å; M369-L373 PolarHBondContact O-N 2.94Å
370L66.6Low70.8Confident48 Ų4898.6 Ų98.625%0.25151%0.509SS..Hα-helixtrans-51.6-44.5-177.3-120.175.1000114.8I349 M366 A374I349-L370 HydrophobicContact CD1-CD2 4.29Å; M366-L370 HydrophobicContact CG-CD1 3.74Å; M366-L370 WeakPolarHBondContact O-CB 3.09Å; M366-L370 WeakPolarHBondContact O-CD1 3.34Å; M366-L370 PolarHBondContact O-N 3.11Å; L370-A374 WeakPolarHBondContact O-CB 3.16Å; L370-A374 PolarHBondContact O-N 3.12Å
371P74.2Confident71.2Confident76 Ų7697.7 Ų97.749%0.49450%0.504SS..Hα-helixtrans-72.9-27.217724.7-31.5000113.3R367 N375R367-P371 WeakPolarHBondContact O-CD 3.17Å; P371-N375 PolarHBondContact O-N 3.25Å; P371-N375 PolarHBondContact O-ND2 2.95Å
372Q77.2Confident71Confident143 Ų14393.8 Ų93.867%0.66848%0.482SS*.Hα-helixtrans-79.5-37.9176.8-164.3170.3-22.600111.3M369 N375 Q376M369-Q372 CarbonylContact O-C 3.01Å; M369-Q372 PolarHBondContact O-N 3.41Å; Q372-N375 PolarHBondContact O-N 2.82Å; Q372-Q376 WeakPolarHBondContact O-CB 3.46Å; Q372-Q376 PolarHBondContact O-N 3.25Å
373L67.9Low70.9Confident55 Ų5596.6 Ų96.629%0.28849%0.493SS..Hα-helixtrans-71.1-36.2174.4-175.565.7000111.5M369 Q376 I377M369-L373 HydrophobicContact CG-CB 4.42Å; M369-L373 VanDerWaalsContact O-CB 3.29Å; M369-L373 WeakPolarHBondContact O-CB 3.48Å; M369-L373 PolarHBondContact O-N 2.94Å; L373-Q376 CarbonylContact O-C 3.59Å; L373-Q376 PolarHBondContact O-N 3.36Å; L373-I377 HydrophobicContact CD1-CD1 4.21Å; L373-I377 HydrophobicContact CD1-CG1 4.23Å; L373-I377 HydrophobicContact CD2-CD1 4.28Å; L373-I377 HydrophobicContact CG-CD1 3.78Å; L373-I377 HydrophobicContact CG-CG1 4.22Å; L373-I377 VanDerWaalsContact O-CB 3.29Å; L373-I377 WeakPolarHBondContact O-CB 2.97Å; L373-I377 VanDerWaalsContact O-CG1 3.31Å; L373-I377 WeakPolarHBondContact O-CG1 3.39Å; L373-I377 PolarHBondContact O-N 2.99Å
374A68.2Low71.3Confident57 Ų5797.9 Ų97.947%0.47151%0.505SS..Hα-helixtrans-63.3-41.7173.400000111.7L370 Q376 N378L370-A374 WeakPolarHBondContact O-CB 3.16Å; L370-A374 PolarHBondContact O-N 3.12Å; A374-Q376 VanDerWaalsContact C-N 3.3Å; A374-Q376 PolarHBondContact O-N 3.35Å; A374-N378 WeakPolarHBondContact O-CB 3.24Å; A374-N378 PolarHBondContact O-N 2.98Å
375N71.7Confident71.4Confident123 Ų12396.4 Ų96.466%0.65850%0.496SS*.Hα-helixtrans-68.9-28.2173.8-76.6-44.2000112.9P371 Q372P371-N375 PolarHBondContact O-N 3.25Å; P371-N375 PolarHBondContact O-ND2 2.95Å; Q372-N375 PolarHBondContact O-N 2.82Å
376Q63.8Low71.4Confident94 Ų9495.7 Ų95.744%0.43950%0.496SS..Hα-helixtrans-82.4-38177.6-170.7163.241.700113Q372 L373 A374 N378 Q379 F382Q372-Q376 WeakPolarHBondContact O-CB 3.46Å; Q372-Q376 PolarHBondContact O-N 3.25Å; L373-Q376 CarbonylContact O-C 3.59Å; L373-Q376 PolarHBondContact O-N 3.36Å; A374-Q376 VanDerWaalsContact C-N 3.3Å; A374-Q376 PolarHBondContact O-N 3.35Å; Q376-N378 PolarHBondContact O-N 3.49Å; Q376-Q379 VanDerWaalsContact O-CB 3.31Å; Q376-Q379 WeakPolarHBondContact O-CB 3.41Å; Q376-Q379 PolarHBondContact O-N 3.04Å; Q376-F382 HydrophobicContact CG-CB 4.5Å; Q376-F382 HydrophobicContact CG-CD2 3.88Å; Q376-F382 HydrophobicContact CG-CE2 4.42Å; Q376-F382 HydrophobicContact CG-CG 4.3Å; Q376-F382 WeakPolarHBondContact O-CB 3.45Å
377I63.1Low72.2Confident88 Ų8895.5 Ų95.545%0.45150%0.503SS..Hα-helixtrans-62-32.4173.3-79.5172.2000110.9L373 Q379 F382L373-I377 HydrophobicContact CD1-CD1 4.21Å; L373-I377 HydrophobicContact CD1-CG1 4.23Å; L373-I377 HydrophobicContact CD2-CD1 4.28Å; L373-I377 HydrophobicContact CG-CD1 3.78Å; L373-I377 HydrophobicContact CG-CG1 4.22Å; L373-I377 VanDerWaalsContact O-CB 3.29Å; L373-I377 WeakPolarHBondContact O-CB 2.97Å; L373-I377 VanDerWaalsContact O-CG1 3.31Å; L373-I377 WeakPolarHBondContact O-CG1 3.39Å; L373-I377 PolarHBondContact O-N 2.99Å; I377-Q379 PolarHBondContact O-N 3.16Å; I377-F382 HydrophobicContact CB-CD1 4.4Å; I377-F382 HydrophobicContact CB-CE1 4.41Å; I377-F382 HydrophobicContact CG1-CD1 3.99Å; I377-F382 HydrophobicContact CG1-CE1 3.52Å; I377-F382 HydrophobicContact CG1-CZ 4.2Å
378N69.6Low72.7Confident136 Ų13691.6 Ų91.673%0.72749%0.494SS*.THydrogen-bonded Turntrans-74.4-5.2174.9-133.111.3000113.3A374 Q376A374-N378 WeakPolarHBondContact O-CB 3.24Å; A374-N378 PolarHBondContact O-N 2.98Å; Q376-N378 PolarHBondContact O-N 3.49Å
379Q72.8Confident73Confident95 Ų9588.8 Ų88.844%0.44449%0.489SS..  trans-80.2128.7173.4-75.6-158.3-56.700111.5Q376 I377 S381 F382 M383Q376-Q379 VanDerWaalsContact O-CB 3.31Å; Q376-Q379 WeakPolarHBondContact O-CB 3.41Å; Q376-Q379 PolarHBondContact O-N 3.04Å; I377-Q379 PolarHBondContact O-N 3.16Å; Q379-S381 WeakPolarHBondContact CB-OG 3.26Å; Q379-S381 PolarHBondContact O-N 3.36Å; Q379-S381 PolarHBondContact OE1-OG 3.2Å; Q379-F382 HydrophobicContact CB-CB 4.26Å; Q379-F382 WeakPolarHBondContact O-CB 3.38Å; Q379-F382 PolarHBondContact O-N 3.22Å; Q379-M383 PolarHBondContact O-N 3.38Å; Q379-M383 VanDerWaalsContact O-N 3.12Å
380P73.4Confident74Confident97 Ų9793.9 Ų93.963%0.6350%0.503SS*.Hα-helixtrans-61.6-24.8173.723.9-32.6000112.8N384P380-N384 WeakPolarHBondContact O-CB 3.47Å; P380-N384 PolarHBondContact O-N 2.92Å; P380-N384 PolarHBondContact O-ND2 3.36Å
381S80.4Confident74.7Confident68 Ų6892.7 Ų92.748%0.47650%0.5SS..Hα-helixtrans-67.6-34.8171.441.90000113.1Q379 M385Q379-S381 WeakPolarHBondContact CB-OG 3.26Å; Q379-S381 PolarHBondContact O-N 3.36Å; Q379-S381 PolarHBondContact OE1-OG 3.2Å; S381-M385 WeakPolarHBondContact O-CB 3.47Å; S381-M385 PolarHBondContact O-N 3.05Å
382F73.4Confident74.8Confident42 Ų4294.2 Ų94.218%0.18450%0.504CS..Hα-helixtrans-74-39175.2-175-94.2000111.2Q376 I377 Q379 N384 M385 L386Q376-F382 HydrophobicContact CG-CB 4.5Å; Q376-F382 HydrophobicContact CG-CD2 3.88Å; Q376-F382 HydrophobicContact CG-CE2 4.42Å; Q376-F382 HydrophobicContact CG-CG 4.3Å; Q376-F382 WeakPolarHBondContact O-CB 3.45Å; I377-F382 HydrophobicContact CB-CD1 4.4Å; I377-F382 HydrophobicContact CB-CE1 4.41Å; I377-F382 HydrophobicContact CG1-CD1 3.99Å; I377-F382 HydrophobicContact CG1-CE1 3.52Å; I377-F382 HydrophobicContact CG1-CZ 4.2Å; Q379-F382 HydrophobicContact CB-CB 4.26Å; Q379-F382 WeakPolarHBondContact O-CB 3.38Å; Q379-F382 PolarHBondContact O-N 3.22Å; F382-N384 VanDerWaalsContact C-N 3.3Å; F382-N384 PolarHBondContact O-N 3.22Å; F382-M385 WeakPolarHBondContact O-CB 3.44Å; F382-M385 PolarHBondContact O-N 3.36Å; F382-L386 HydrophobicContact CE1-CD1 3.98Å; F382-L386 HydrophobicContact CZ-CD1 4.07Å; F382-L386 PolarHBondContact O-N 3.39Å
383M69.8Low75.2Confident111 Ų11194 Ų9455%0.54750%0.503SS..Hα-helixtrans-62.4-38.1172.7-154.573.7-176.700111.9Q379 M385 L386 S387Q379-M383 PolarHBondContact O-N 3.38Å; Q379-M383 VanDerWaalsContact O-N 3.12Å; M383-M385 VanDerWaalsContact C-N 3.33Å; M383-L386 PolarHBondContact O-N 3.02Å; M383-S387 WeakPolarHBondContact O-CB 3.15Å; M383-S387 PolarHBondContact O-N 3.21Å; M383-S387 PolarHBondContact O-OG 2.85Å
384N77.6Confident75.9Confident107 Ų10793.4 Ų93.457%0.57251%0.506SS*.Hα-helixtrans-71.5-24.3172.6-78.5-28.8000113.6P380 F382 S387 N388P380-N384 WeakPolarHBondContact O-CB 3.47Å; P380-N384 PolarHBondContact O-N 2.92Å; P380-N384 PolarHBondContact O-ND2 3.36Å; F382-N384 VanDerWaalsContact C-N 3.3Å; F382-N384 PolarHBondContact O-N 3.22Å; N384-S387 WeakPolarHBondContact CA-OG 3.44Å; N384-S387 PolarHBondContact O-OG 2.77Å; N384-N388 WeakPolarHBondContact O-CB 3.15Å; N384-N388 PolarHBondContact O-N 3.49Å
385M78.2Confident76.3Confident71 Ų7194.8 Ų94.835%0.3550%0.503SS..Hα-helixtrans-75.7-38.7172.4-174.2178.7175.600110.9S381 F382 M383 N388 A391 M395S381-M385 WeakPolarHBondContact O-CB 3.47Å; S381-M385 PolarHBondContact O-N 3.05Å; F382-M385 WeakPolarHBondContact O-CB 3.44Å; F382-M385 PolarHBondContact O-N 3.36Å; M383-M385 VanDerWaalsContact C-N 3.33Å; M385-N388 PolarHBondContact O-N 3.34Å; M385-A391 HydrophobicContact CG-CB 3.9Å; M385-A391 WeakPolarHBondContact O-CB 3.35Å; M385-M395 HydrophobicContact CE-CB 4.09Å; M385-M395 HydrophobicContact CE-CE 4.22Å; M385-M395 HydrophobicContact CE-CG 3.93Å; M385-M395 HydrophobicContact CE-SD 3.49Å; M385-M395 WeakPolarHBondContact CE-SD 3.29Å
386L71.8Confident76.6Confident103 Ų10395.8 Ų95.854%0.53951%0.506SS..Hα-helixtrans-72.9-34.6178.9-13786.5000112.6F382 M383 N388F382-L386 HydrophobicContact CE1-CD1 3.98Å; F382-L386 HydrophobicContact CZ-CD1 4.07Å; F382-L386 PolarHBondContact O-N 3.39Å; M383-L386 PolarHBondContact O-N 3.02Å; L386-N388 VanDerWaalsContact C-N 3.32Å
387S82.6Confident77.6Confident83 Ų8398.1 Ų98.158%0.5852%0.517SS*.SBendtrans-80.3-13.617769.50000113.5M383 N384 P389M383-S387 WeakPolarHBondContact O-CB 3.15Å; M383-S387 PolarHBondContact O-N 3.21Å; M383-S387 PolarHBondContact O-OG 2.85Å; N384-S387 WeakPolarHBondContact CA-OG 3.44Å; N384-S387 PolarHBondContact O-OG 2.77Å; S387-P389 WeakPolarHBondContact O-CD 3.33Å
388N83.6Confident78.4Confident74 Ų7499.1 Ų99.140%0.39652%0.522SS..  trans-94.5105.1-178-168.9-18.5000109.9N384 M385 L386 R390 A391 L392N384-N388 WeakPolarHBondContact O-CB 3.15Å; N384-N388 PolarHBondContact O-N 3.49Å; M385-N388 PolarHBondContact O-N 3.34Å; L386-N388 VanDerWaalsContact C-N 3.32Å; N388-R390 PolarHBondContact O-N 2.75Å; N388-R390 VanDerWaalsContact O-N 3.1Å; N388-R390 VanDerWaalsContact OD1-CB 3.28Å; N388-R390 WeakPolarHBondContact OD1-CB 3.35Å; N388-R390 PolarHBondContact OD1-N 2.7Å; N388-R390 VanDerWaalsContact OD1-N 3.15Å; N388-A391 HydrophobicContact CB-CB 3.82Å; N388-A391 WeakPolarHBondContact O-CA 3.49Å; N388-A391 WeakPolarHBondContact O-CB 3.43Å; N388-A391 PolarHBondContact O-N 3.29Å; N388-L392 PolarHBondContact O-N 3.46Å
389P79.4Confident78.4Confident99 Ų9998.2 Ų98.264%0.64351%0.513SS*.Hα-helixtrans-59.3-28.1-179.424.9-34.6000111.8S387 Q393S387-P389 WeakPolarHBondContact O-CD 3.33Å; P389-Q393 VanDerWaalsContact O-CB 3.3Å; P389-Q393 WeakPolarHBondContact O-CB 3.46Å; P389-Q393 PolarHBondContact O-N 2.81Å
390R89.4Confident78.7Confident201 Ų201100 Ų10076%0.75852%0.522SS*.Hα-helixtrans-71.4-32.5175.3-155.5177.7-155.71726.1112.5N388 A394N388-R390 PolarHBondContact O-N 2.75Å; N388-R390 VanDerWaalsContact O-N 3.1Å; N388-R390 VanDerWaalsContact OD1-CB 3.28Å; N388-R390 WeakPolarHBondContact OD1-CB 3.35Å; N388-R390 PolarHBondContact OD1-N 2.7Å; N388-R390 VanDerWaalsContact OD1-N 3.15Å; R390-A394 VanDerWaalsContact O-CB 3.31Å; R390-A394 WeakPolarHBondContact O-CB 3.28Å; R390-A394 PolarHBondContact O-N 2.83Å
391A81.3Confident79Confident23 Ų2397 Ų9719%0.1951%0.509CS..Hα-helixtrans-75.3-37.3176.600000111.3M385 N388 A394 M395M385-A391 HydrophobicContact CG-CB 3.9Å; M385-A391 WeakPolarHBondContact O-CB 3.35Å; N388-A391 HydrophobicContact CB-CB 3.82Å; N388-A391 WeakPolarHBondContact O-CA 3.49Å; N388-A391 WeakPolarHBondContact O-CB 3.43Å; N388-A391 PolarHBondContact O-N 3.29Å; A391-A394 PolarHBondContact O-N 2.9Å; A391-M395 VanDerWaalsContact O-CB 3.28Å; A391-M395 WeakPolarHBondContact O-CB 3.43Å; A391-M395 PolarHBondContact O-N 2.75Å
392L76.5Confident78.6Confident109 Ų10997.8 Ų97.857%0.57151%0.507SS*.Hα-helixtrans-62.5-43169.7-167.479.8000111.2N388 M395 M396N388-L392 PolarHBondContact O-N 3.46Å; L392-M395 PolarHBondContact O-N 2.75Å; L392-M396 WeakPolarHBondContact O-CB 3.33Å; L392-M396 PolarHBondContact O-N 3.44Å
393Q84.9Confident78.6Confident139 Ų139101.3 Ų101.365%0.6552%0.524SS*.Hα-helixtrans-64.5-41.6177.1-162173.616.500111.9P389 M396 Q397P389-Q393 VanDerWaalsContact O-CB 3.3Å; P389-Q393 WeakPolarHBondContact O-CB 3.46Å; P389-Q393 PolarHBondContact O-N 2.81Å; Q393-M396 PolarHBondContact O-N 3.37Å; Q393-Q397 WeakPolarHBondContact O-CB 3.39Å; Q393-Q397 PolarHBondContact O-N 2.98Å
394A82.4Confident79Confident42 Ų4298.6 Ų98.635%0.34751%0.513SS..Hα-helixtrans-65-38.4172.700000111.9R390 A391 Q397 I398R390-A394 VanDerWaalsContact O-CB 3.31Å; R390-A394 WeakPolarHBondContact O-CB 3.28Å; R390-A394 PolarHBondContact O-N 2.83Å; A391-A394 PolarHBondContact O-N 2.9Å; A394-Q397 WeakPolarHBondContact O-CB 3.26Å; A394-Q397 PolarHBondContact O-N 2.56Å; A394-I398 VanDerWaalsContact O-CG1 3.27Å; A394-I398 WeakPolarHBondContact O-CG1 3.44Å; A394-I398 PolarHBondContact O-N 3.14Å
395M77.7Confident78.8Confident85 Ų8597.4 Ų97.442%0.41951%0.507SS..Hα-helixtrans-69.1-35.5177.3-161.1-178.4-172.200111.8M385 A391 L392 I398 Q399M385-M395 HydrophobicContact CE-CB 4.09Å; M385-M395 HydrophobicContact CE-CE 4.22Å; M385-M395 HydrophobicContact CE-CG 3.93Å; M385-M395 HydrophobicContact CE-SD 3.49Å; M385-M395 WeakPolarHBondContact CE-SD 3.29Å; A391-M395 VanDerWaalsContact O-CB 3.28Å; A391-M395 WeakPolarHBondContact O-CB 3.43Å; A391-M395 PolarHBondContact O-N 2.75Å; L392-M395 PolarHBondContact O-N 2.75Å; M395-I398 PolarHBondContact O-N 3.46Å; M395-Q399 PolarHBondContact O-N 3.34Å
396M76.1Confident78.3Confident145 Ų14599.1 Ų99.171%0.71451%0.514SS*.Hα-helixtrans-67.8-38.7173.2-144-170.1-168.500111.3L392 Q393 I398 Q399 Q400L392-M396 WeakPolarHBondContact O-CB 3.33Å; L392-M396 PolarHBondContact O-N 3.44Å; Q393-M396 PolarHBondContact O-N 3.37Å; M396-I398 VanDerWaalsContact C-N 3.33Å; M396-Q399 PolarHBondContact O-N 3.45Å; M396-Q400 WeakPolarHBondContact O-CB 3.31Å; M396-Q400 PolarHBondContact O-N 3.49Å
397Q84.9Confident78.2Confident142 Ų142102.1 Ų102.166%0.66453%0.525SS*.Hα-helixtrans-65-36.3172.3-169174.214.900112Q393 A394 G401Q393-Q397 WeakPolarHBondContact O-CB 3.39Å; Q393-Q397 PolarHBondContact O-N 2.98Å; A394-Q397 WeakPolarHBondContact O-CB 3.26Å; A394-Q397 PolarHBondContact O-N 2.56Å; Q397-G401 PolarHBondContact O-N 3.46Å
398I81Confident77.7Confident109 Ų109105.6 Ų105.656%0.55953%0.532SS*.Hα-helixtrans-70.1-42.4174.5-70.8164.9000111A394 M395 M396 Q400 G401 L402A394-I398 VanDerWaalsContact O-CG1 3.27Å; A394-I398 WeakPolarHBondContact O-CG1 3.44Å; A394-I398 PolarHBondContact O-N 3.14Å; M395-I398 PolarHBondContact O-N 3.46Å; M396-I398 VanDerWaalsContact C-N 3.33Å; I398-Q400 VanDerWaalsContact C-N 3.34Å; I398-Q400 PolarHBondContact O-N 2.96Å; I398-G401 CarbonylContact O-C 3.6Å; I398-G401 WeakPolarHBondContact O-CA 3.27Å; I398-G401 PolarHBondContact O-N 3.13Å; I398-L402 HydrophobicContact CG2-CD1 4.33Å; I398-L402 WeakPolarHBondContact O-CB 3.49Å; I398-L402 PolarHBondContact O-N 2.78Å
399Q68.7Low76.6Confident118 Ų118103.7 Ų103.755%0.55153%0.526SS*.Hα-helixtrans-62.2-42.2175.5-86.5-173.97.400111.9M395 M396 G401 L402 Q403M395-Q399 PolarHBondContact O-N 3.34Å; M396-Q399 PolarHBondContact O-N 3.45Å; Q399-G401 VanDerWaalsContact C-N 3.35Å; Q399-L402 PolarHBondContact O-N 3.17Å; Q399-Q403 WeakPolarHBondContact O-CG 3.46Å; Q399-Q403 PolarHBondContact O-N 3.2Å
400Q79.9Confident75.8Confident133 Ų133103 Ų10362%0.62152%0.522SS*.Hα-helixtrans-63.7-43.3173-164.9168.354.300110.5M396 I398 L402 Q403 T404M396-Q400 WeakPolarHBondContact O-CB 3.31Å; M396-Q400 PolarHBondContact O-N 3.49Å; I398-Q400 VanDerWaalsContact C-N 3.34Å; I398-Q400 PolarHBondContact O-N 2.96Å; Q400-L402 VanDerWaalsContact C-N 3.31Å; Q400-L402 PolarHBondContact O-N 3.21Å; Q400-Q403 PolarHBondContact O-N 2.84Å; Q400-T404 WeakPolarHBondContact O-CB 3.45Å; Q400-T404 PolarHBondContact O-N 2.57Å; Q400-T404 PolarHBondContact O-OG1 3.08Å
401G78.9Confident74.9Confident34 Ų3495.9 Ų95.935%0.35151%0.512SS..Hα-helixtrans-61.6-33.2174.200000113.9Q397 I398 Q399 L405Q397-G401 PolarHBondContact O-N 3.46Å; I398-G401 CarbonylContact O-C 3.6Å; I398-G401 WeakPolarHBondContact O-CA 3.27Å; I398-G401 PolarHBondContact O-N 3.13Å; Q399-G401 VanDerWaalsContact C-N 3.35Å; G401-L405 WeakPolarHBondContact O-CB 3.45Å; G401-L405 PolarHBondContact O-N 2.86Å
402L73.8Confident74.3Confident83 Ų8397.7 Ų97.744%0.43552%0.52SS..Hα-helixtrans-80.3-32.2178.4-128.8138.3000112.1I398 Q399 Q400 L405 Q406I398-L402 HydrophobicContact CG2-CD1 4.33Å; I398-L402 WeakPolarHBondContact O-CB 3.49Å; I398-L402 PolarHBondContact O-N 2.78Å; Q399-L402 PolarHBondContact O-N 3.17Å; Q400-L402 VanDerWaalsContact C-N 3.31Å; Q400-L402 PolarHBondContact O-N 3.21Å; L402-L405 PolarHBondContact O-N 3.44Å; L402-Q406 WeakPolarHBondContact O-CB 3.21Å; L402-Q406 WeakPolarHBondContact O-CG 3.17Å; L402-Q406 PolarHBondContact O-N 2.86Å
403Q72.2Confident73.5Confident117 Ų11795.2 Ų95.255%0.54751%0.507SS..Hα-helixtrans-69.1-41.2168.2-76.3176.5-1.200111.4Q399 Q400 L405 Q406 Q407Q399-Q403 WeakPolarHBondContact O-CG 3.46Å; Q399-Q403 PolarHBondContact O-N 3.2Å; Q400-Q403 PolarHBondContact O-N 2.84Å; Q403-L405 VanDerWaalsContact C-N 3.34Å; Q403-Q406 CarbonylContact O-C 3.51Å; Q403-Q406 PolarHBondContact O-N 3.45Å; Q403-Q407 WeakPolarHBondContact O-CB 2.98Å; Q403-Q407 WeakPolarHBondContact O-CG 3.39Å; Q403-Q407 PolarHBondContact O-N 3.3Å
404T78.2Confident72.5Confident53 Ų5394.4 Ų94.433%0.32551%0.512SS..Hα-helixtrans-61.6-42.7170.1-61.90000110.3Q400 Q406 Q407 E408Q400-T404 WeakPolarHBondContact O-CB 3.45Å; Q400-T404 PolarHBondContact O-N 2.57Å; Q400-T404 PolarHBondContact O-OG1 3.08Å; T404-Q406 VanDerWaalsContact C-N 3.34Å; T404-Q406 PolarHBondContact O-N 2.92Å; T404-Q407 PolarHBondContact O-N 2.79Å; T404-Q407 VanDerWaalsContact O-N 3.15Å; T404-E408 HydrophobicContact CG2-CG 4.16Å; T404-E408 WeakPolarHBondContact CG2-OE2 3.36Å; T404-E408 WeakPolarHBondContact O-CB 3.11Å; T404-E408 PolarHBondContact O-N 3.38Å
405L72.9Confident71.6Confident83 Ų8397.3 Ų97.344%0.43553%0.53SS..Hα-helixtrans-63.2-38.3173.5-123.884.2000112.3G401 L402 Q403 Q407 A409 V412G401-L405 WeakPolarHBondContact O-CB 3.45Å; G401-L405 PolarHBondContact O-N 2.86Å; L402-L405 PolarHBondContact O-N 3.44Å; Q403-L405 VanDerWaalsContact C-N 3.34Å; L405-Q407 VanDerWaalsContact C-N 3.34Å; L405-A409 CarbonylContact O-C 3.21Å; L405-A409 VanDerWaalsContact O-CA 3.27Å; L405-A409 WeakPolarHBondContact O-CA 3.14Å; L405-A409 PolarHBondContact O-N 3.38Å; L405-A409 VanDerWaalsContact O-O 3.13Å; L405-V412 HydrophobicContact CD2-CG2 3.59Å; L405-V412 HydrophobicContact CG-CG2 4.02Å
406Q68.4Low71Confident107 Ų10799.1 Ų99.150%0.554%0.541SS..Hα-helixtrans-68.7-30.7174-85-177.1300112.7L402 Q403 T404 L413L402-Q406 WeakPolarHBondContact O-CB 3.21Å; L402-Q406 WeakPolarHBondContact O-CG 3.17Å; L402-Q406 PolarHBondContact O-N 2.86Å; Q403-Q406 CarbonylContact O-C 3.51Å; Q403-Q406 PolarHBondContact O-N 3.45Å; T404-Q406 VanDerWaalsContact C-N 3.34Å; T404-Q406 PolarHBondContact O-N 2.92Å; Q406-L413 HydrophobicContact CG-CD2 3.98Å
407Q69.8Low70.2Confident165 Ų16595.2 Ų95.277%0.77154%0.537SS*.Hα-helixtrans-83.1-41.8177.8-80.9177.17.400113.4Q403 T404 L405Q403-Q407 WeakPolarHBondContact O-CB 2.98Å; Q403-Q407 WeakPolarHBondContact O-CG 3.39Å; Q403-Q407 PolarHBondContact O-N 3.3Å; T404-Q407 PolarHBondContact O-N 2.79Å; T404-Q407 VanDerWaalsContact O-N 3.15Å; L405-Q407 VanDerWaalsContact C-N 3.34Å
408E71.6Confident68.9Low157 Ų15796.2 Ų96.273%0.73454%0.544SS*.Hα-helixtrans-87.6-29.8-177.5-74.6-176.9140.800112.6T404T404-E408 HydrophobicContact CG2-CG 4.16Å; T404-E408 WeakPolarHBondContact CG2-OE2 3.36Å; T404-E408 WeakPolarHBondContact O-CB 3.11Å; T404-E408 PolarHBondContact O-N 3.38Å
409A61.5Low67.8Low33 Ų3396.4 Ų96.427%0.27356%0.555SS.*  trans-145.863.1-174.200000112.5L405 G411 V412L405-A409 CarbonylContact O-C 3.21Å; L405-A409 VanDerWaalsContact O-CA 3.27Å; L405-A409 WeakPolarHBondContact O-CA 3.14Å; L405-A409 PolarHBondContact O-N 3.38Å; L405-A409 VanDerWaalsContact O-O 3.13Å; A409-G411 PolarHBondContact O-N 2.85Å; A409-V412 HydrophobicContact CB-CB 4.49Å; A409-V412 HydrophobicContact CB-CG1 4.02Å; A409-V412 HydrophobicContact CB-CG2 3.81Å; A409-V412 WeakPolarHBondContact O-CG2 3.46Å; A409-V412 PolarHBondContact O-N 2.84Å
410P62Low67.2Low84 Ų8495 Ų9555%0.54556%0.563SS.*Hα-helixtrans-55.6-21.2174.322.1-32.4000113.4T414P410-T414 PolarHBondContact O-OG1 2.89Å
411G71.3Confident66.3Low53 Ų5394.3 Ų94.355%0.54657%0.57SS.*Hα-helixtrans-74.1-22.9175.600000115.8A409 S415A409-G411 PolarHBondContact O-N 2.85Å; G411-S415 PolarHBondContact O-N 2.74Å; G411-S415 VanDerWaalsContact O-N 3.16Å
412V67.5Low65.5Low61 Ų6198.6 Ų98.637%0.3759%0.592SS.*Hα-helixtrans-76.7-29.1179.9-61.40000112L405 A409 S415 L416L405-V412 HydrophobicContact CD2-CG2 3.59Å; L405-V412 HydrophobicContact CG-CG2 4.02Å; A409-V412 HydrophobicContact CB-CB 4.49Å; A409-V412 HydrophobicContact CB-CG1 4.02Å; A409-V412 HydrophobicContact CB-CG2 3.81Å; A409-V412 WeakPolarHBondContact O-CG2 3.46Å; A409-V412 PolarHBondContact O-N 2.84Å; V412-S415 WeakPolarHBondContact O-CB 3.17Å; V412-S415 PolarHBondContact O-N 3.34Å; V412-L416 WeakPolarHBondContact O-CD1 3.41Å; V412-L416 PolarHBondContact O-N 2.83Å; V412-L416 VanDerWaalsContact O-N 3.08Å
413L59.4Low64.3Low57 Ų57102.7 Ų102.730%0.29861%0.613SS.*Hα-helixtrans-74.6-33178.2-159.468.6000112Q406 S415 L416Q406-L413 HydrophobicContact CG-CD2 3.98Å; L413-S415 VanDerWaalsContact C-N 3.3Å; L413-L416 PolarHBondContact O-N 2.94Å
414T63.5Low63Low122 Ų122100.7 Ų100.775%0.74862%0.623SS**Hα-helixtrans-68.4-30.8168.8-47.30000111.8P410 L416P410-T414 PolarHBondContact O-OG1 2.89Å; T414-L416 VanDerWaalsContact C-N 3.33Å
415S65.1Low61.5Low103 Ų103104 Ų10472%0.7265%0.645SS**Hα-helixtrans-74.1-19.7173.7179.10000113.7G411 V412 L413G411-S415 PolarHBondContact O-N 2.74Å; G411-S415 VanDerWaalsContact O-N 3.16Å; V412-S415 WeakPolarHBondContact O-CB 3.17Å; V412-S415 PolarHBondContact O-N 3.34Å; L413-S415 VanDerWaalsContact C-N 3.3Å
416L63.7Low60.1Low123 Ų123104 Ų10464%0.64467%0.665SS**THydrogen-bonded Turntrans-9310.7-176.8-91.2147.3000113.9V412 L413 T414 M418V412-L416 WeakPolarHBondContact O-CD1 3.41Å; V412-L416 PolarHBondContact O-N 2.83Å; V412-L416 VanDerWaalsContact O-N 3.08Å; L413-L416 PolarHBondContact O-N 2.94Å; T414-L416 VanDerWaalsContact C-N 3.33Å; L416-M418 PolarHBondContact O-N 3.2Å
417G60.3Low59.1Low62 Ų62104.4 Ų104.464%0.63968%0.68SS**THydrogen-bonded Turntrans77.915.2161.500000116.9S419G417-S419 PolarHBondContact O-N 2.87Å
418M58Low57.8Low164 Ų164103 Ų10381%0.80868%0.683SS**  trans-94.269.9175.1-61.4-178.991.300110.3L416L416-M418 PolarHBondContact O-N 3.2Å
419S56.6Low56.2Low113 Ų113101.6 Ų101.679%0.7969%0.685SS**PPolyproline II helixtrans-77118.8176.9540000111.4G417G417-S419 PolarHBondContact O-N 2.87Å
420A56Low55.3Low88 Ų88105.5 Ų105.573%0.72771%0.71SS**PPolyproline II helixtrans-65142.8163.400000110.5
421P61.7Low54.2Low119 Ų119105 Ų10577%0.77372%0.72SS**PPolyproline II helixtrans-71.9151.2176.527.4-30.5000112
422P61.4Low52.7Low123 Ų123109.1 Ų109.180%0.79974%0.735SS**PPolyproline II helixtrans-78.4136.6-162.930.3-34.7000113.6G424P422-G424 PolarHBondContact O-N 2.91Å
423I48.7Very low51.5Low170 Ų170112 Ų11287%0.87275%0.753SS**  trans-69.3112.9160.4-19.8174.1000106.4P425I423-P425 WeakPolarHBondContact O-CD 3.36Å
424G46.1Very low50.8Low74 Ų74114.9 Ų114.976%0.76378%0.775SS**  trans-87.8125178.800000112.3P422P422-G424 PolarHBondContact O-N 2.91Å
425P46.1Very low49.7Very low122 Ų122114.1 Ų114.179%0.79278%0.781SS**  trans-105.4137.4160.135.1-24.1000110I423I423-P425 WeakPolarHBondContact O-CD 3.36Å
426G43.1Very low48.5Very low83 Ų83112.4 Ų112.486%0.85678%0.779SS**  trans-134.266.9-178.500000112.1
427S47.9Very low47.4Very low117 Ų117116.1 Ų116.182%0.81879%0.793SS**  trans-68.7126.5163.343.50000110.5
428V42.7Very low46.4Very low136 Ų136119.6 Ų119.682%0.82480%0.802SS**  trans-65.3128.1165-75.90000110.4
429T37.6Very low45.8Very low127 Ų127117.2 Ų117.278%0.77980%0.8SS**  trans160.9118139.1-77.70000112.5
430S42.5Very low45Very low115 Ų115116.1 Ų116.180%0.80480%0.797SS**  trans81.1109.9148.2-62.60000122.5
431G39.4Very low44.2Very low73 Ų73118 Ų11875%0.75380%0.8SS**  trans68.6132.6135.400000117.2
432T38.6Very low43.3Very low139 Ų139118.4 Ų118.485%0.85380%0.8SS**  cis-169.1141.929.9-400000107.3
433T42.1Very low42.5Very low123 Ų123118.1 Ų118.176%0.75580%0.8SS**  trans-54-178.3170.240.50000115.9
434P44.8Very low42.3Very low117 Ų117114.5 Ų114.576%0.7680%0.796SS**  cis-143.2-174.8-11.422.34.4000116.4
435A40.7Very low42.2Very low105 Ų105117.6 Ų117.687%0.86880%0.803SS**  trans86.2135149.400000118.3
436G39.4Very low42.1Very low67 Ų67115.5 Ų115.569%0.69180%0.803SS**  cis-175.9174.32.500000111.2
437E42.5Very low41.9Very low201 Ų201117.9 Ų117.994%0.93980%0.797SS**  trans88.899.7153.8-54.6-179.6124.100120.6
438T38.2Very low41.9Very low135 Ų135120.2 Ų120.283%0.82880%0.8SS**  trans-81.2-168.1150.445.60000111.1
439P46.4Very low41.7Very low115 Ų115119.1 Ų119.175%0.74780%0.798SS**  cis-141.6-172.4-9.622.55.2000116.3
440A39.9Very low42.1Very low89 Ų89120.5 Ų120.574%0.73680%0.801SS**  trans85.5135.8150.300000118.4
441T38.8Very low42Very low128 Ų128119 Ų11979%0.78579%0.79SS**  -176.6127.259.9-53.90000112.8
442V43Very low42Very low128 Ų128121.5 Ų121.578%0.77679%0.791SS**  trans14.8144.3135.9-165.60000123.5
443S42.9Very low42Very low116 Ų116120.7 Ų120.781%0.81179%0.786SS**  trans121.6141.6148.5-52.60000114.1
444A45.8Very low42Very low95 Ų95119.2 Ų119.279%0.78579%0.786SS**  cis-172.3165-9.100000107.6
445P43Very low41.6Very low138 Ų138119.7 Ų119.790%0.89678%0.782SS**  trans-111.1161.3-17738.9-27.9000115.3
446G44Very low41.7Very low78 Ų78124.7 Ų124.780%0.80478%0.779SS**  trans163.7156.9169.500000109.5
447D39.9Very low41.8Very low134 Ų134127.1 Ų127.172%0.71778%0.78SS**  cis-172.1146.7-10.5-174.40.1000103.3
448N46.7Very low41.8Very low166 Ų166123.3 Ų123.389%0.88878%0.776SS**  trans178.5113.5150.4-91.7-18.3000110.8
449S40.4Very low41.6Very low112 Ų112123.4 Ų123.478%0.78377%0.771SS**  trans-97.8143.3175.1-60.60000110.7
450D44.4Very low41.2Very low157 Ų157123.9 Ų123.984%0.8477%0.772SS**  trans-173.6156.2147.5-163.629.8000108.9
451S42Very low40.9Very low83 Ų83125.3 Ų125.358%0.5877%0.772SS**  -142154.4-76.860.20000109
452T39.2Very low41.1Very low126 Ų126124.2 Ų124.277%0.77378%0.776SS**  trans57.6133145.319.60000120.8
453T38.9Very low41.2Very low122 Ų122125.4 Ų125.475%0.74878%0.778SS**  cis-174.8145.127.3-610000111.2
454A40.8Very low41.6Very low91 Ų91125.1 Ų125.175%0.75277%0.773SS**  trans58.7135155.200000120
455D37.4Very low41.8Very low127 Ų127125.3 Ų125.368%0.67977%0.766SS**  cis-163.8137.643.6-171.144.5000111.8
456R42.9Very low42.4Very low210 Ų210124.4 Ų124.479%0.79275%0.754SS**  trans26.6146.4146.6-66.6173.5174.8171-4.1122
457T40.8Very low42.8Very low119 Ų119129 Ų12973%0.7375%0.754SS**  cis-177.3149.7-5.125.10000107.3
458S42Very low43.7Very low120 Ų120126.4 Ų126.484%0.83975%0.752SS**  trans93.194.1152.8-54.20000120.3
459D33.8Very low44.3Very low138 Ų138125.3 Ų125.374%0.73874%0.741SS**  trans-56.5151.3156.6-174.410.7000113.9
460T37.8Very low45.2Very low125 Ų125125.1 Ų125.177%0.76773%0.731SS**  trans178.798.9130.2-63.50000110.6
461T35.5Very low46.2Very low118 Ų118121.9 Ų121.972%0.72472%0.717SS**  47.8113.7129.1-390000121.2
462A42.6Very low47.5Very low105 Ų105121.8 Ų121.887%0.86872%0.716SS**  trans-152.2130.6147.600000113
463N44.6Very low48.9Very low154 Ų154121.5 Ų121.582%0.82471%0.709SS**  trans-51.9154.4-176.4-116.310.1000117.4
464P51.7Low50.3Low109 Ų109120.7 Ų120.771%0.70870%0.7SS**  trans-97.6130.7166.635-26.7000112.8
465P49.9Very low51.7Low99 Ų99120 Ų12064%0.64369%0.69SS**  trans-113.267.2171.638.7-27.3000112.2
466N55.1Low53.3Low119 Ų119117.9 Ų117.964%0.63669%0.685SS**  trans-1103.7-175.6-75.113.5000115.9
467Q52.6Low54.3Low174 Ų174113.1 Ų113.181%0.81367%0.673SS**SBendtrans-98.1-25.9-177-67.5-162.271.900114.8T471Q467-T471 PolarHBondContact O-OG1 3.13Å
468A58.7Low55.7Low80 Ų80113.5 Ų113.566%0.66167%0.67SS**Hα-helixtrans-80.7-38.7179.300000112.8T471 S472A468-T471 PolarHBondContact O-N 3.22Å; A468-S472 PolarHBondContact O-N 3.02Å; A468-S472 VanDerWaalsContact O-N 3.17Å
469E58.5Low56.8Low143 Ų143113.5 Ų113.567%0.66866%0.66SS**Hα-helixtrans-69.1-34.3176.8-72.9-175.3104.900112.3T471 S472 L473E469-T471 VanDerWaalsContact C-N 3.29Å; E469-T471 PolarHBondContact O-N 3.46Å; E469-S472 PolarHBondContact O-N 3.35Å; E469-L473 VanDerWaalsContact O-CB 3.28Å; E469-L473 WeakPolarHBondContact O-CB 3.35Å; E469-L473 PolarHBondContact O-N 3.21Å
470L59.6Low57.9Low109 Ų109113.4 Ų113.457%0.57166%0.657SS**Hα-helixtrans-66.6-33.1176.3-140.5161000111.5L474L470-L474 WeakPolarHBondContact O-CB 3.22Å; L470-L474 PolarHBondContact O-N 3.03Å
471T65.3Low58.8Low88 Ų88113 Ų11354%0.5465%0.648SS.*Hα-helixtrans-74.4-35.9176.4-49.10000112Q467 A468 E469 S475Q467-T471 PolarHBondContact O-OG1 3.13Å; A468-T471 PolarHBondContact O-N 3.22Å; E469-T471 VanDerWaalsContact C-N 3.29Å; E469-T471 PolarHBondContact O-N 3.46Å; T471-S475 WeakPolarHBondContact O-CB 3.37Å; T471-S475 PolarHBondContact O-N 3.17Å; T471-S475 PolarHBondContact O-OG 3.41Å
472S69.3Low59.8Low81 Ų81111.2 Ų111.257%0.56664%0.64SS**Hα-helixtrans-69.5-42.2173.2-177.70000112A468 E469 L474 S475 S476A468-S472 PolarHBondContact O-N 3.02Å; A468-S472 VanDerWaalsContact O-N 3.17Å; E469-S472 PolarHBondContact O-N 3.35Å; S472-L474 VanDerWaalsContact C-N 3.35Å; S472-L474 PolarHBondContact O-N 3.15Å; S472-S475 PolarHBondContact O-N 2.84Å; S472-S476 PolarHBondContact O-N 3.25Å
473L69.3Low60.2Low120 Ų120111.4 Ų111.463%0.62863%0.631SS**Hα-helixtrans-62.9-40.4174.5-170.378.5000111.4E469 S476 M477E469-L473 VanDerWaalsContact O-CB 3.28Å; E469-L473 WeakPolarHBondContact O-CB 3.35Å; E469-L473 PolarHBondContact O-N 3.21Å; L473-S476 PolarHBondContact O-N 2.99Å; L473-M477 WeakPolarHBondContact O-CB 3.12Å; L473-M477 PolarHBondContact O-N 3.28Å
474L67.8Low60.4Low106 Ų106108.7 Ų108.756%0.55562%0.62SS**Hα-helixtrans-68.2-34.2176.9-172.461.2000112.3L470 S472 L478L470-L474 WeakPolarHBondContact O-CB 3.22Å; L470-L474 PolarHBondContact O-N 3.03Å; S472-L474 VanDerWaalsContact C-N 3.35Å; S472-L474 PolarHBondContact O-N 3.15Å; L474-L478 WeakPolarHBondContact O-CB 3.02Å; L474-L478 PolarHBondContact O-N 2.92Å
475S69.7Low60.1Low77 Ų77110.5 Ų110.554%0.53862%0.623SS.*Hα-helixtrans-70.2-39.8174.9-53.80000111.8T471 S472 L478 N479T471-S475 WeakPolarHBondContact O-CB 3.37Å; T471-S475 PolarHBondContact O-N 3.17Å; T471-S475 PolarHBondContact O-OG 3.41Å; S472-S475 PolarHBondContact O-N 2.84Å; S475-L478 PolarHBondContact O-N 2.93Å; S475-N479 PolarHBondContact O-N 2.89Å
476S71.4Confident59.6Low81 Ų81112.4 Ų112.457%0.56663%0.628SS**Hα-helixtrans-71-34.6175.2-139.70000111.9S472 L473 N479 M480S472-S476 PolarHBondContact O-N 3.25Å; L473-S476 PolarHBondContact O-N 2.99Å; S476-N479 PolarHBondContact O-N 3.2Å; S476-M480 VanDerWaalsContact O-CB 3.23Å; S476-M480 WeakPolarHBondContact O-CB 3.06Å; S476-M480 PolarHBondContact O-N 3.35Å
477M63.9Low58.8Low110 Ų110109.7 Ų109.754%0.54263%0.628SS.*Hα-helixtrans-69.6-33174.1-169.8174.3169.900112L473 M480 M481L473-M477 WeakPolarHBondContact O-CB 3.12Å; L473-M477 PolarHBondContact O-N 3.28Å; M477-M480 PolarHBondContact O-N 3.28Å; M477-M481 WeakPolarHBondContact O-CB 3.38Å; M477-M481 PolarHBondContact O-N 3.21Å
478L70.1Confident58Low128 Ų128110.1 Ų110.167%0.6764%0.635SS**Hα-helixtrans-73.2-34.2175.2-155.975.3000112.7L474 S475 S482L474-L478 WeakPolarHBondContact O-CB 3.02Å; L474-L478 PolarHBondContact O-N 2.92Å; S475-L478 PolarHBondContact O-N 2.93Å; L478-S482 PolarHBondContact O-N 3.14Å; L478-S482 PolarHBondContact O-OG 3.25Å
479N65.1Low56.9Low120 Ų120110 Ų11064%0.64264%0.642SS**Hα-helixtrans-75.3-28.1174-134.346.1000112.2S475 S476 S482 T483S475-N479 PolarHBondContact O-N 2.89Å; S476-N479 PolarHBondContact O-N 3.2Å; N479-S482 PolarHBondContact O-OG 3.14Å; N479-T483 PolarHBondContact O-OG1 3.49Å
480M58.2Low55.8Low136 Ų136107.1 Ų107.167%0.6764%0.642SS**Hα-helixtrans-80-30.7172.2-169.7164.616600112.2S476 M477 T483 T484S476-M480 VanDerWaalsContact O-CB 3.23Å; S476-M480 WeakPolarHBondContact O-CB 3.06Å; S476-M480 PolarHBondContact O-N 3.35Å; M477-M480 PolarHBondContact O-N 3.28Å; M480-T483 PolarHBondContact O-N 3.09Å; M480-T484 VanDerWaalsContact O-CB 3.24Å; M480-T484 WeakPolarHBondContact O-CB 3.3Å; M480-T484 PolarHBondContact O-N 3.4Å; M480-T484 PolarHBondContact O-OG1 3.09Å
481M56.3Low54.9Low116 Ų116108 Ų10857%0.57165%0.652SS**Hα-helixtrans-83.1-24.6179.2-157.9170.8-158.300113.1M477 T483 N485M477-M481 WeakPolarHBondContact O-CB 3.38Å; M477-M481 PolarHBondContact O-N 3.21Å; M481-T483 VanDerWaalsContact C-N 3.34Å; M481-N485 VanDerWaalsContact O-CB 3.3Å; M481-N485 WeakPolarHBondContact O-CB 3.38Å; M481-N485 PolarHBondContact O-N 3.28Å
482S55.6Low54.1Low80 Ų80109.8 Ų109.856%0.55966%0.659SS**Hα-helixtrans-75-23.3166.851.10000113.2L478 N479L478-S482 PolarHBondContact O-N 3.14Å; L478-S482 PolarHBondContact O-OG 3.25Å; N479-S482 PolarHBondContact O-OG 3.14Å
483T50.7Low53.3Low110 Ų110113.2 Ų113.268%0.67567%0.671SS**Hα-helixtrans-87.1-23.7173.3-54.70000112.5N479 M480 M481N479-T483 PolarHBondContact O-OG1 3.49Å; M480-T483 PolarHBondContact O-N 3.09Å; M481-T483 VanDerWaalsContact C-N 3.34Å
484T49.3Very low52.8Low96 Ų96109.7 Ų109.759%0.58966%0.659SS**Hα-helixtrans-94.3-14.9-177.7-52.70000113.2M480 N486M480-T484 VanDerWaalsContact O-CB 3.24Å; M480-T484 WeakPolarHBondContact O-CB 3.3Å; M480-T484 PolarHBondContact O-N 3.4Å; M480-T484 PolarHBondContact O-OG1 3.09Å; T484-N486 VanDerWaalsContact C-N 3.32Å; T484-N486 PolarHBondContact O-N 3.2Å
485N44.8Very low52.9Low147 Ų147107.7 Ų107.779%0.78665%0.652SS**THydrogen-bonded Turntrans-9118.9179.9-148.823.6000114.7M481M481-N485 VanDerWaalsContact O-CB 3.3Å; M481-N485 WeakPolarHBondContact O-CB 3.38Å; M481-N485 PolarHBondContact O-N 3.28Å
486N39.6Very low53Low139 Ų139106.7 Ų106.774%0.74364%0.644SS**THydrogen-bonded Turntrans-126.517.2171.5-155.651.7000113.1T484T484-N486 VanDerWaalsContact C-N 3.32Å; T484-N486 PolarHBondContact O-N 3.2Å
487G38.5Very low53.2Low62 Ų62108 Ų10864%0.63964%0.641SS**SBendtrans-103.8-3.1-167.700000117.4
488L36Very low53.8Low183 Ų183108.8 Ų108.896%0.95864%0.644SS**SBendtrans-14288.6-174.7-70.1162.7000110.2
489G35.3Very low54.4Low78 Ų78107 Ų10780%0.80463%0.628SS**  trans143.8-7.8167.100000118.1T491G489-T491 PolarHBondContact O-N 3.45Å
490A37Very low55.4Low82 Ų82102.9 Ų102.968%0.67860%0.604SS**  trans-82.4106.2177.400000110.3N492A490-N492 PolarHBondContact O-N 2.97Å
491T39.5Very low56.8Low127 Ų127102.4 Ų102.478%0.77960%0.6SS**  trans-42.2103.2162.141.10000110.6G489 N493G489-T491 PolarHBondContact O-N 3.45Å; T491-N493 WeakPolarHBondContact O-CB 3.48Å; T491-N493 PolarHBondContact O-N 2.96Å
492N48.3Very low58.3Low127 Ų127100 Ų10068%0.67960%0.598SS**SBendtrans42.934.4144.2-114-78.3000117.4A490 R499A490-N492 PolarHBondContact O-N 2.97Å; N492-R499 VanDerWaalsContact CG-NH2 3.26Å; N492-R499 PolarHBondContact O-NH2 3.49Å; N492-R499 PolarHBondContact OD1-NH1 3.41Å; N492-R499 PolarHBondContact OD1-NH2 2.98Å
493N53.8Low59.8Low153 Ų15398.4 Ų98.482%0.81858%0.582SS**  trans-125.89.3-178.1-141.222.6000115.1T491T491-N493 WeakPolarHBondContact O-CB 3.48Å; T491-N493 PolarHBondContact O-N 2.96Å
494A58.6Low61.6Low45 Ų4593.9 Ų93.937%0.37255%0.553SS.*SBendtrans-65.7140.3165.800000109.9R499A494-R499 HydrophobicContact CB-CG 4.3Å
495P69.9Low63.5Low65 Ų6595.2 Ų95.242%0.42255%0.553SS.*  trans-53.2141.917722.1-32.1000109.4E497 Q498 R499P495-E497 PolarHBondContact O-N 2.76Å; P495-Q498 HydrophobicContact CG-CB 4.31Å; P495-Q498 HydrophobicContact CG-CG 4.07Å; P495-Q498 PolarHBondContact O-N 3.08Å; P495-R499 PolarHBondContact O-N 2.93Å
496P70.8Confident65.4Low55 Ų5591.9 Ų91.936%0.35754%0.535SS..Hα-helixtrans-53.8-29.3-174.120.8-32.8000112.4Q498 R499 Y500 L519 I523P496-Q498 VanDerWaalsContact C-N 3.33Å; P496-Q498 PolarHBondContact O-N 3.49Å; P496-R499 WeakPolarHBondContact O-CB 3.11Å; P496-R499 PolarHBondContact O-N 3.48Å; P496-Y500 HydrophobicContact CB-CD2 4.23Å; P496-Y500 HydrophobicContact CB-CE2 4.23Å; P496-Y500 WeakPolarHBondContact O-CD2 3.38Å; P496-Y500 PolarHBondContact O-N 3.39Å; P496-Y500 VanDerWaalsContact O-N 3.08Å; P496-L519 HydrophobicContact CB-CD1 4.23Å; P496-L519 HydrophobicContact CB-CD2 4.35Å; P496-L519 HydrophobicContact CB-CG 4.42Å; P496-L519 HydrophobicContact CG-CD2 4.15Å; P496-I523 HydrophobicContact CB-CD1 3.74Å; P496-I523 HydrophobicContact CB-CG1 3.88Å; P496-I523 HydrophobicContact CG-CD1 4.11Å
497E76Confident67.7Low108 Ų10885.3 Ų85.351%0.50550%0.499SS..Hα-helixtrans-64-35.1178.8-44.1-160.4129.100113.3P495 Q501 L519P495-E497 PolarHBondContact O-N 2.76Å; E497-Q501 PolarHBondContact O-N 3.37Å; E497-L519 VanDerWaalsContact CA-CD1 3.44Å; E497-L519 HydrophobicContact CB-CD1 3.95Å; E497-L519 HydrophobicContact CG-CD1 3.63Å
498Q77.3Confident70.1Confident128 Ų12884.7 Ų84.760%0.59849%0.488SS*.Hα-helixtrans-80-32.6177-74.8179.7-13.300111.9P495 P496 Y500P495-Q498 HydrophobicContact CG-CB 4.31Å; P495-Q498 HydrophobicContact CG-CG 4.07Å; P495-Q498 PolarHBondContact O-N 3.08Å; P496-Q498 VanDerWaalsContact C-N 3.33Å; P496-Q498 PolarHBondContact O-N 3.49Å; Q498-Y500 VanDerWaalsContact C-N 3.28Å; Q498-Y500 PolarHBondContact O-N 2.77Å
499R81.4Confident72.6Confident91 Ų9182 Ų8234%0.34348%0.475SS..Hα-helixtrans-61.1-42.9175.2-65.4-75-157.394.534.2111.4N492 A494 P495 P496N492-R499 VanDerWaalsContact CG-NH2 3.26Å; N492-R499 PolarHBondContact O-NH2 3.49Å; N492-R499 PolarHBondContact OD1-NH1 3.41Å; N492-R499 PolarHBondContact OD1-NH2 2.98Å; A494-R499 HydrophobicContact CB-CG 4.3Å; P495-R499 PolarHBondContact O-N 2.93Å; P496-R499 WeakPolarHBondContact O-CB 3.11Å; P496-R499 PolarHBondContact O-N 3.48Å
500Y86.2Confident74.9Confident33 Ų3382.6 Ų82.613%0.12946%0.458CS..THydrogen-bonded Turntrans-10521.3-170.9-58-58.7000113P496 Q498 A502 E503 L504 L522 I523P496-Y500 HydrophobicContact CB-CD2 4.23Å; P496-Y500 HydrophobicContact CB-CE2 4.23Å; P496-Y500 WeakPolarHBondContact O-CD2 3.38Å; P496-Y500 PolarHBondContact O-N 3.39Å; P496-Y500 VanDerWaalsContact O-N 3.08Å; Q498-Y500 VanDerWaalsContact C-N 3.28Å; Q498-Y500 PolarHBondContact O-N 2.77Å; Y500-A502 VanDerWaalsContact C-N 3.34Å; Y500-A502 PolarHBondContact O-N 2.81Å; Y500-E503 WeakPolarHBondContact CA-OE2 3.43Å; Y500-E503 PolarHBondContact O-N 2.72Å; Y500-L504 VanDerWaalsContact O-CB 3.28Å; Y500-L504 WeakPolarHBondContact O-CB 3.42Å; Y500-L504 WeakPolarHBondContact O-CG 3.29Å; Y500-L504 PolarHBondContact O-N 3.07Å; Y500-L522 HydrophobicContact CD1-CB 4.11Å; Y500-L522 HydrophobicContact CD2-CB 4.16Å; Y500-L522 HydrophobicContact CG-CB 3.9Å; Y500-I523 HydrophobicContact CD2-CG1 4.18Å; Y500-I523 HydrophobicContact CE2-CB 4.38Å; Y500-I523 HydrophobicContact CE2-CG1 3.64Å
501Q88Confident77.2Confident125 Ų12580.5 Ų80.558%0.58444%0.444SS*.Hα-helixtrans-62.6-40.9-173.1-175.3174.1-1200112.1E497 E505E497-Q501 PolarHBondContact O-N 3.37Å; Q501-E505 PolarHBondContact O-N 3.36Å; Q501-E505 VanDerWaalsContact O-N 3.09Å
502A86.9Confident79.4Confident65 Ų6576.1 Ų76.154%0.53741%0.414SS..Hα-helixtrans-66.7-41.8177.600000111.1Y500 E505 I506Y500-A502 VanDerWaalsContact C-N 3.34Å; Y500-A502 PolarHBondContact O-N 2.81Å; A502-E505 PolarHBondContact O-N 3.37Å; A502-I506 VanDerWaalsContact O-CG1 3.29Å; A502-I506 WeakPolarHBondContact O-CG1 3.47Å; A502-I506 PolarHBondContact O-N 2.74Å
503E88.9Confident81.2Confident47 Ų4776.3 Ų76.322%0.2242%0.42CS..Hα-helixtrans-69.7-37.4179.3-64.485.7169.400112.3Y500 E505 I506 L507 L522 V529Y500-E503 WeakPolarHBondContact CA-OE2 3.43Å; Y500-E503 PolarHBondContact O-N 2.72Å; E503-E505 VanDerWaalsContact C-N 3.31Å; E503-I506 PolarHBondContact O-N 3.29Å; E503-L507 WeakPolarHBondContact O-CB 3.08Å; E503-L507 WeakPolarHBondContact O-CG 3.47Å; E503-L507 PolarHBondContact O-N 3.41Å; E503-L522 HydrophobicContact CB-CD1 3.54Å; E503-L522 HydrophobicContact CB-CD2 3.51Å; E503-L522 HydrophobicContact CB-CG 4.16Å; E503-L522 HydrophobicContact CG-CD2 4.02Å; E503-V529 HydrophobicContact CB-CG2 3.72Å; E503-V529 HydrophobicContact CG-CG2 3.5Å
504L88.1Confident82.7Confident15 Ų1573.4 Ų73.48%0.07940%0.404CS..Hα-helixtrans-62.5-39.3172.6-76.4173.9000111.1Y500 A508 R515 N518 L519 L522Y500-L504 VanDerWaalsContact O-CB 3.28Å; Y500-L504 WeakPolarHBondContact O-CB 3.42Å; Y500-L504 WeakPolarHBondContact O-CG 3.29Å; Y500-L504 PolarHBondContact O-N 3.07Å; L504-A508 VanDerWaalsContact O-CB 3.29Å; L504-A508 WeakPolarHBondContact O-CB 3.45Å; L504-A508 PolarHBondContact O-N 2.74Å; L504-R515 HydrophobicContact CD1-CG 4.19Å; L504-R515 HydrophobicContact CD2-CG 4.17Å; L504-N518 HydrophobicContact CD2-CB 3.44Å; L504-N518 VanDerWaalsContact CD2-CB 3.44Å; L504-L519 HydrophobicContact CD1-CD1 4.07Å; L504-L519 HydrophobicContact CD2-CB 4.33Å; L504-L522 HydrophobicContact CD2-CD1 3.91Å; L504-L522 HydrophobicContact CG-CD1 4.02Å
505E87.8Confident84.1Confident124 Ų12479.3 Ų79.358%0.57942%0.417SS*.Hα-helixtrans-67.8-40.6175.9-166.4175.8109.100111.4Q501 A502 E503 A508 N509Q501-E505 PolarHBondContact O-N 3.36Å; Q501-E505 VanDerWaalsContact O-N 3.09Å; A502-E505 PolarHBondContact O-N 3.37Å; E503-E505 VanDerWaalsContact C-N 3.31Å; E505-A508 PolarHBondContact O-N 2.67Å; E505-N509 WeakPolarHBondContact O-CB 3.34Å; E505-N509 PolarHBondContact O-N 2.88Å; E505-N509 PolarHBondContact O-ND2 2.98Å
506I86.3Confident84.9Confident78 Ų7883.5 Ų83.540%0.443%0.431SS..Hα-helixtrans-62.7-46.7174.2-64.4162.2000110.7A502 E503 A508 N509 M510 V529A502-I506 VanDerWaalsContact O-CG1 3.29Å; A502-I506 WeakPolarHBondContact O-CG1 3.47Å; A502-I506 PolarHBondContact O-N 2.74Å; E503-I506 PolarHBondContact O-N 3.29Å; I506-A508 VanDerWaalsContact C-N 3.34Å; I506-A508 PolarHBondContact O-N 3.38Å; I506-N509 PolarHBondContact O-N 3.15Å; I506-M510 HydrophobicContact CG2-CE 3.74Å; I506-M510 HydrophobicContact CG2-SD 4.35Å; I506-M510 WeakPolarHBondContact O-CG 3.46Å; I506-M510 PolarHBondContact O-N 3.22Å; I506-V529 HydrophobicContact CB-CG1 4.41Å; I506-V529 HydrophobicContact CD1-CG2 4.37Å; I506-V529 HydrophobicContact CG2-CG1 3.78Å
507L88.2Confident85.8Confident0 Ų082.2 Ų82.20%043%0.425CS..Hα-helixtrans-61.4-40.8176.3-75.9171.3000112.1E503 M510 G511 F512 N518 L522 V529 A532 I533 L536E503-L507 WeakPolarHBondContact O-CB 3.08Å; E503-L507 WeakPolarHBondContact O-CG 3.47Å; E503-L507 PolarHBondContact O-N 3.41Å; L507-M510 HydrophobicContact CD2-CE 3.78Å; L507-M510 HydrophobicContact CG-CE 4.34Å; L507-M510 PolarHBondContact O-N 2.91Å; L507-G511 PolarHBondContact O-N 2.81Å; L507-F512 HydrophobicContact CB-CB 4.3Å; L507-F512 HydrophobicContact CD2-CD2 3.89Å; L507-F512 HydrophobicContact CD2-CE2 4.41Å; L507-F512 HydrophobicContact CD2-CG 4.48Å; L507-F512 WeakPolarHBondContact O-CB 3.39Å; L507-F512 PolarHBondContact O-N 3.04Å; L507-N518 HydrophobicContact CB-CB 4.34Å; L507-N518 WeakPolarHBondContact CB-ND2 3.32Å; L507-N518 HydrophobicContact CD1-CB 3.6Å; L507-L522 HydrophobicContact CD1-CD1 3.41Å; L507-L522 VanDerWaalsContact CD1-CD1 3.41Å; L507-L522 HydrophobicContact CD1-CD2 4.2Å; L507-L522 HydrophobicContact CD1-CG 3.72Å; L507-V529 HydrophobicContact CD2-CG1 4.36Å; L507-V529 HydrophobicContact CG-CG1 4.4Å; L507-A532 HydrophobicContact CD1-CB 4.24Å; L507-I533 HydrophobicContact CD2-CG1 3.67Å; L507-L536 HydrophobicContact CD1-CD1 3.94Å; L507-L536 HydrophobicContact CD2-CD1 3.59Å; L507-L536 HydrophobicContact CG-CD1 4.37Å
508A87.6Confident86.5Confident49 Ų4977.2 Ų77.241%0.40540%0.402SS..Hα-helixtrans-63.3-42.5174.700000111.8L504 E505 I506 M510 G511 F512L504-A508 VanDerWaalsContact O-CB 3.29Å; L504-A508 WeakPolarHBondContact O-CB 3.45Å; L504-A508 PolarHBondContact O-N 2.74Å; E505-A508 PolarHBondContact O-N 2.67Å; I506-A508 VanDerWaalsContact C-N 3.34Å; I506-A508 PolarHBondContact O-N 3.38Å; A508-M510 VanDerWaalsContact C-N 3.25Å; A508-M510 PolarHBondContact O-N 2.97Å; A508-G511 PolarHBondContact O-N 2.63Å; A508-F512 WeakPolarHBondContact CA-O 3.36Å
509N87.9Confident87.1Confident128 Ų12872.3 Ų72.368%0.68438%0.379SS*.Hα-helixtrans-65.4-27.1175.5-72-25.2000112.8E505 I506 G511E505-N509 WeakPolarHBondContact O-CB 3.34Å; E505-N509 PolarHBondContact O-N 2.88Å; E505-N509 PolarHBondContact O-ND2 2.98Å; I506-N509 PolarHBondContact O-N 3.15Å; N509-G511 VanDerWaalsContact C-N 3.3Å
510M84.1Confident87.4Confident89 Ų8974.1 Ų74.144%0.43839%0.391SS..THydrogen-bonded Turntrans-82.9-1.8173.4-70.7-175.8-58.700114I506 L507 A508 F512 V529 I533I506-M510 HydrophobicContact CG2-CE 3.74Å; I506-M510 HydrophobicContact CG2-SD 4.35Å; I506-M510 WeakPolarHBondContact O-CG 3.46Å; I506-M510 PolarHBondContact O-N 3.22Å; L507-M510 HydrophobicContact CD2-CE 3.78Å; L507-M510 HydrophobicContact CG-CE 4.34Å; L507-M510 PolarHBondContact O-N 2.91Å; A508-M510 VanDerWaalsContact C-N 3.25Å; A508-M510 PolarHBondContact O-N 2.97Å; M510-F512 HydrophobicContact CB-CD2 4.29Å; M510-V529 HydrophobicContact CE-CG1 3.7Å; M510-I533 HydrophobicContact CE-CD1 3.29Å; M510-I533 HydrophobicContact CE-CG1 3.55Å; M510-I533 HydrophobicContact SD-CD1 3.5Å; M510-I533 WeakPolarHBondContact SD-CD1 3.42Å; M510-I533 HydrophobicContact SD-CG1 4.28Å
511G85.9Confident87.6Confident38 Ų3872.7 Ų72.739%0.39239%0.387SS..THydrogen-bonded Turntrans100-0.7176.400000114.9L507 A508 N509 V513L507-G511 PolarHBondContact O-N 2.81Å; A508-G511 PolarHBondContact O-N 2.63Å; N509-G511 VanDerWaalsContact C-N 3.3Å; G511-V513 PolarHBondContact O-N 3.43Å
512F86Confident87.7Confident36 Ų3666.8 Ų66.816%0.15836%0.359CS..  trans-8088.5170.4-60.9-82.7000109.3L507 A508 M510 N514 N518 I533 L536 L537L507-F512 HydrophobicContact CB-CB 4.3Å; L507-F512 HydrophobicContact CD2-CD2 3.89Å; L507-F512 HydrophobicContact CD2-CE2 4.41Å; L507-F512 HydrophobicContact CD2-CG 4.48Å; L507-F512 WeakPolarHBondContact O-CB 3.39Å; L507-F512 PolarHBondContact O-N 3.04Å; A508-F512 WeakPolarHBondContact CA-O 3.36Å; M510-F512 HydrophobicContact CB-CD2 4.29Å; F512-N514 VanDerWaalsContact C-N 3.3Å; F512-N514 PolarHBondContact O-N 2.6Å; F512-N518 VanDerWaalsContact CB-OD1 3.23Å; F512-N518 WeakPolarHBondContact CB-OD1 3.05Å; F512-N518 PolarHBondContact O-ND2 3.43Å; F512-I533 HydrophobicContact CE2-CB 4.34Å; F512-I533 HydrophobicContact CE2-CG1 4.09Å; F512-I533 HydrophobicContact CE2-CG2 3.89Å; F512-I533 HydrophobicContact CZ-CG2 3.94Å; F512-L536 HydrophobicContact CB-CD1 4.24Å; F512-L536 HydrophobicContact CD1-CB 3.68Å; F512-L536 HydrophobicContact CD1-CD1 3.87Å; F512-L536 HydrophobicContact CD1-CG 4.23Å; F512-L536 HydrophobicContact CD2-CD1 4.27Å; F512-L536 HydrophobicContact CE1-CB 3.42Å; F512-L536 VanDerWaalsContact CE1-CB 3.42Å; F512-L536 HydrophobicContact CE1-CD1 4.28Å; F512-L536 HydrophobicContact CE1-CG 4.41Å; F512-L536 HydrophobicContact CG-CB 4.47Å; F512-L536 HydrophobicContact CG-CD1 3.87Å; F512-L536 HydrophobicContact CZ-CB 4.01Å; F512-L537 HydrophobicContact CE1-CD2 4.4Å; F512-L537 HydrophobicContact CZ-CD2 4.05Å; F512-L537 HydrophobicContact CZ-CG 4.09Å
513V85Confident87.8Confident131 Ų13167.2 Ų67.279%0.79435%0.352SS*.  trans-77-15.3-177.3-64.80000113.9G511 R515G511-V513 PolarHBondContact O-N 3.43Å; V513-R515 PolarHBondContact O-N 2.83Å; V513-R515 VanDerWaalsContact O-N 3.12Å
514N87Confident87.8Confident91 Ų9167 Ų6749%0.48736%0.357SS..  trans-81.894.5-176.9-167.7-27.4000110.8F512 E516 A517 N518F512-N514 VanDerWaalsContact C-N 3.3Å; F512-N514 PolarHBondContact O-N 2.6Å; N514-E516 VanDerWaalsContact C-N 3.28Å; N514-E516 PolarHBondContact O-N 3.48Å; N514-E516 PolarHBondContact OD1-N 3.46Å; N514-A517 HydrophobicContact CB-CB 4.04Å; N514-A517 PolarHBondContact O-N 3.49Å; N514-A517 PolarHBondContact OD1-N 3.08Å; N514-N518 WeakPolarHBondContact O-CB 3.3Å; N514-N518 PolarHBondContact O-N 3.14Å; N514-N518 PolarHBondContact O-OD1 3.18Å; N514-N518 VanDerWaalsContact O-OD1 3.14Å
515R87.5Confident87.8Confident169 Ų16967.5 Ų67.564%0.63836%0.361SS*.Hα-helixtrans-56.9-37.5-177.5-171-179.6-73.6165.3-3.3113L504 V513 N518 L519L504-R515 HydrophobicContact CD1-CG 4.19Å; L504-R515 HydrophobicContact CD2-CG 4.17Å; V513-R515 PolarHBondContact O-N 2.83Å; V513-R515 VanDerWaalsContact O-N 3.12Å; R515-N518 PolarHBondContact O-N 2.74Å; R515-L519 VanDerWaalsContact O-CB 3.27Å; R515-L519 WeakPolarHBondContact O-CB 3.13Å; R515-L519 PolarHBondContact O-N 2.87Å
516E87.3Confident87.7Confident154 Ų15470.3 Ų70.372%0.7237%0.372SS*.Hα-helixtrans-68.8-46179.7-74.8174.39100112.1N514 N518 L519 Q520N514-E516 VanDerWaalsContact C-N 3.28Å; N514-E516 PolarHBondContact O-N 3.48Å; N514-E516 PolarHBondContact OD1-N 3.46Å; E516-N518 VanDerWaalsContact C-N 3.3Å; E516-N518 PolarHBondContact O-N 2.9Å; E516-L519 PolarHBondContact O-N 2.84Å; E516-Q520 WeakPolarHBondContact O-CB 3.48Å; E516-Q520 PolarHBondContact O-N 3.28Å
517A88.5Confident87.5Confident28 Ų2867.3 Ų67.323%0.23136%0.36CS..Hα-helixtrans-61.6-43.1175.900000110.7N514 L519 Q520 A521 L536N514-A517 HydrophobicContact CB-CB 4.04Å; N514-A517 PolarHBondContact O-N 3.49Å; N514-A517 PolarHBondContact OD1-N 3.08Å; A517-L519 PolarHBondContact O-N 2.86Å; A517-Q520 PolarHBondContact O-N 2.87Å; A517-A521 WeakPolarHBondContact O-CB 3.42Å; A517-A521 PolarHBondContact O-N 2.87Å; A517-L536 HydrophobicContact CB-CD2 3.69Å
518N90.3Very high87.5Confident3 Ų371.1 Ų71.12%0.01638%0.381CS..Hα-helixtrans-61.9-44.9177.8-66.5-1.5000111.8L504 L507 F512 N514 R515 E516 Q520 A521 L522 L536L504-N518 HydrophobicContact CD2-CB 3.44Å; L504-N518 VanDerWaalsContact CD2-CB 3.44Å; L507-N518 HydrophobicContact CB-CB 4.34Å; L507-N518 WeakPolarHBondContact CB-ND2 3.32Å; L507-N518 HydrophobicContact CD1-CB 3.6Å; F512-N518 VanDerWaalsContact CB-OD1 3.23Å; F512-N518 WeakPolarHBondContact CB-OD1 3.05Å; F512-N518 PolarHBondContact O-ND2 3.43Å; N514-N518 WeakPolarHBondContact O-CB 3.3Å; N514-N518 PolarHBondContact O-N 3.14Å; N514-N518 PolarHBondContact O-OD1 3.18Å; N514-N518 VanDerWaalsContact O-OD1 3.14Å; R515-N518 PolarHBondContact O-N 2.74Å; E516-N518 VanDerWaalsContact C-N 3.3Å; E516-N518 PolarHBondContact O-N 2.9Å; N518-Q520 VanDerWaalsContact C-N 3.34Å; N518-Q520 PolarHBondContact O-N 2.78Å; N518-A521 PolarHBondContact O-N 3.15Å; N518-L522 WeakPolarHBondContact O-CB 3.09Å; N518-L522 WeakPolarHBondContact O-CD1 3.21Å; N518-L522 VanDerWaalsContact O-CG 3.26Å; N518-L522 WeakPolarHBondContact O-CG 3.41Å; N518-L522 PolarHBondContact O-N 2.93Å; N518-L536 VanDerWaalsContact OD1-CD1 3.27Å; N518-L536 WeakPolarHBondContact OD1-CD1 3.28Å
519L89.6Confident87.4Confident24 Ų2469.9 Ų69.913%0.12637%0.368CS..Hα-helixtrans-60.3-46.1176.6-171.2102.9000110.8P496 E497 L504 R515 E516 A517 A521 L522 I523P496-L519 HydrophobicContact CB-CD1 4.23Å; P496-L519 HydrophobicContact CB-CD2 4.35Å; P496-L519 HydrophobicContact CB-CG 4.42Å; P496-L519 HydrophobicContact CG-CD2 4.15Å; E497-L519 VanDerWaalsContact CA-CD1 3.44Å; E497-L519 HydrophobicContact CB-CD1 3.95Å; E497-L519 HydrophobicContact CG-CD1 3.63Å; L504-L519 HydrophobicContact CD1-CD1 4.07Å; L504-L519 HydrophobicContact CD2-CB 4.33Å; R515-L519 VanDerWaalsContact O-CB 3.27Å; R515-L519 WeakPolarHBondContact O-CB 3.13Å; R515-L519 PolarHBondContact O-N 2.87Å; E516-L519 PolarHBondContact O-N 2.84Å; A517-L519 PolarHBondContact O-N 2.86Å; L519-A521 VanDerWaalsContact C-N 3.31Å; L519-A521 PolarHBondContact O-N 3.43Å; L519-L522 PolarHBondContact O-N 3.25Å; L519-I523 HydrophobicContact CD2-CD1 3.56Å; L519-I523 HydrophobicContact CG-CD1 3.78Å; L519-I523 HydrophobicContact CG-CG1 4.38Å; L519-I523 WeakPolarHBondContact O-CB 3.32Å; L519-I523 WeakPolarHBondContact O-CD1 3.43Å; L519-I523 WeakPolarHBondContact O-CG1 3.16Å; L519-I523 PolarHBondContact O-N 2.81Å
520Q89.5Confident87.4Confident129 Ų12969.3 Ų69.360%0.60337%0.365SS*.Hα-helixtrans-65.7-36.2179.3-168.9176.41500112.3E516 A517 N518 A524 R535E516-Q520 WeakPolarHBondContact O-CB 3.48Å; E516-Q520 PolarHBondContact O-N 3.28Å; A517-Q520 PolarHBondContact O-N 2.87Å; N518-Q520 VanDerWaalsContact C-N 3.34Å; N518-Q520 PolarHBondContact O-N 2.78Å; Q520-A524 WeakPolarHBondContact O-CB 3.42Å; Q520-A524 PolarHBondContact O-N 3.12Å; Q520-R535 PolarHBondContact O-NH1 2.95Å
521A89.1Confident87.7Confident4 Ų467 Ų673%0.03336%0.36CS..Hα-helixtrans-64.7-47.3173.100000110.8A517 N518 L519 A524 T525 A532 R535 L536A517-A521 WeakPolarHBondContact O-CB 3.42Å; A517-A521 PolarHBondContact O-N 2.87Å; N518-A521 PolarHBondContact O-N 3.15Å; L519-A521 VanDerWaalsContact C-N 3.31Å; L519-A521 PolarHBondContact O-N 3.43Å; A521-A524 PolarHBondContact O-N 3.35Å; A521-A524 VanDerWaalsContact O-N 3.16Å; A521-T525 VanDerWaalsContact O-CG2 3.29Å; A521-T525 WeakPolarHBondContact O-CG2 3.23Å; A521-T525 PolarHBondContact O-N 2.64Å; A521-T525 PolarHBondContact O-OG1 2.98Å; A521-A532 HydrophobicContact CB-CB 3.8Å; A521-R535 HydrophobicContact CB-CB 4.49Å; A521-L536 HydrophobicContact CB-CD1 4.09Å; A521-L536 HydrophobicContact CB-CD2 4.05Å; A521-L536 HydrophobicContact CB-CG 3.69Å
522L90.9Very high87.8Confident0 Ų065.2 Ų65.20%034%0.342CS..Hα-helixtrans-67.8-36.5-179.9-73.5164.4000113.7Y500 E503 L504 L507 N518 L519 A524 T525 F526 G527 V529 A532Y500-L522 HydrophobicContact CD1-CB 4.11Å; Y500-L522 HydrophobicContact CD2-CB 4.16Å; Y500-L522 HydrophobicContact CG-CB 3.9Å; E503-L522 HydrophobicContact CB-CD1 3.54Å; E503-L522 HydrophobicContact CB-CD2 3.51Å; E503-L522 HydrophobicContact CB-CG 4.16Å; E503-L522 HydrophobicContact CG-CD2 4.02Å; L504-L522 HydrophobicContact CD2-CD1 3.91Å; L504-L522 HydrophobicContact CG-CD1 4.02Å; L507-L522 HydrophobicContact CD1-CD1 3.41Å; L507-L522 VanDerWaalsContact CD1-CD1 3.41Å; L507-L522 HydrophobicContact CD1-CD2 4.2Å; L507-L522 HydrophobicContact CD1-CG 3.72Å; N518-L522 WeakPolarHBondContact O-CB 3.09Å; N518-L522 WeakPolarHBondContact O-CD1 3.21Å; N518-L522 VanDerWaalsContact O-CG 3.26Å; N518-L522 WeakPolarHBondContact O-CG 3.41Å; N518-L522 PolarHBondContact O-N 2.93Å; L519-L522 PolarHBondContact O-N 3.25Å; L522-A524 VanDerWaalsContact C-N 3.29Å; L522-A524 PolarHBondContact O-N 3.35Å; L522-T525 PolarHBondContact O-N 2.96Å; L522-F526 PolarHBondContact O-N 3.33Å; L522-G527 PolarHBondContact O-N 2.85Å; L522-V529 HydrophobicContact CD2-CG2 4.41Å; L522-A532 HydrophobicContact CD2-CB 3.72Å; L522-A532 HydrophobicContact CG-CB 3.95Å
523I88.1Confident88Confident75 Ų7565.1 Ų65.139%0.38534%0.342SS..Hα-helixtrans-61.4-42.4171.6-70.5162.5000109.9P496 Y500 L519P496-I523 HydrophobicContact CB-CD1 3.74Å; P496-I523 HydrophobicContact CB-CG1 3.88Å; P496-I523 HydrophobicContact CG-CD1 4.11Å; Y500-I523 HydrophobicContact CD2-CG1 4.18Å; Y500-I523 HydrophobicContact CE2-CB 4.38Å; Y500-I523 HydrophobicContact CE2-CG1 3.64Å; L519-I523 HydrophobicContact CD2-CD1 3.56Å; L519-I523 HydrophobicContact CG-CD1 3.78Å; L519-I523 HydrophobicContact CG-CG1 4.38Å; L519-I523 WeakPolarHBondContact O-CB 3.32Å; L519-I523 WeakPolarHBondContact O-CD1 3.43Å; L519-I523 WeakPolarHBondContact O-CG1 3.16Å; L519-I523 PolarHBondContact O-N 2.81Å
524A88.3Confident88.2Confident41 Ų4163 Ų6334%0.33933%0.327SS..Hα-helixtrans-76.5-26.3-178.100000113.9Q520 A521 L522Q520-A524 WeakPolarHBondContact O-CB 3.42Å; Q520-A524 PolarHBondContact O-N 3.12Å; A521-A524 PolarHBondContact O-N 3.35Å; A521-A524 VanDerWaalsContact O-N 3.16Å; L522-A524 VanDerWaalsContact C-N 3.29Å; L522-A524 PolarHBondContact O-N 3.35Å
525T90.1Very high88.2Confident26 Ų2664 Ų6416%0.1632%0.324CS..THydrogen-bonded Turntrans-98.99.7179.264.40000112.4A521 L522 G527 D528 A531 A532A521-T525 VanDerWaalsContact O-CG2 3.29Å; A521-T525 WeakPolarHBondContact O-CG2 3.23Å; A521-T525 PolarHBondContact O-N 2.64Å; A521-T525 PolarHBondContact O-OG1 2.98Å; L522-T525 PolarHBondContact O-N 2.96Å; T525-G527 PolarHBondContact O-N 2.92Å; T525-D528 WeakPolarHBondContact CB-O 3.5Å; T525-D528 WeakPolarHBondContact O-CB 3.45Å; T525-D528 PolarHBondContact O-N 2.84Å; T525-D528 PolarHBondContact OG1-O 3.04Å; T525-A531 VanDerWaalsContact CG2-C 3.45Å; T525-A531 HydrophobicContact CG2-CB 3.52Å; T525-A532 HydrophobicContact CG2-CB 4.47Å
526F83.9Confident88.2Confident183 Ų18356.3 Ų56.380%0.80330%0.295SS*.THydrogen-bonded Turntrans54.436.4178.9-66.6-89.5000113.7L522L522-F526 PolarHBondContact O-N 3.33Å
527G83.3Confident88.2Confident15 Ų1553 Ų5316%0.15528%0.282CS..THydrogen-bonded Turntrans86.42.5-178.700000114.6L522 T525 V529L522-G527 PolarHBondContact O-N 2.85Å; T525-G527 PolarHBondContact O-N 2.92Å; G527-V529 PolarHBondContact O-N 3.15Å; G527-V529 VanDerWaalsContact O-N 3.15Å
528D87.1Confident88Confident80 Ų8057.3 Ų57.343%0.42830%0.297SS..  trans-74.3108.5171.4-167-46.3000109.9T525 N530 A531 A532T525-D528 WeakPolarHBondContact CB-O 3.5Å; T525-D528 WeakPolarHBondContact O-CB 3.45Å; T525-D528 PolarHBondContact O-N 2.84Å; T525-D528 PolarHBondContact OG1-O 3.04Å; D528-N530 VanDerWaalsContact C-N 3.33Å; D528-N530 PolarHBondContact O-N 2.88Å; D528-N530 WeakPolarHBondContact OD1-CA 3.43Å; D528-N530 WeakPolarHBondContact OD1-CB 3.4Å; D528-N530 PolarHBondContact OD1-N 3.23Å; D528-A531 HydrophobicContact CB-CB 4.08Å; D528-A531 PolarHBondContact OD1-N 3.48Å; D528-A531 VanDerWaalsContact OD1-N 3.1Å; D528-A532 VanDerWaalsContact O-CB 3.32Å; D528-A532 WeakPolarHBondContact O-CB 3.25Å; D528-A532 PolarHBondContact O-N 3.35Å
529V86.2Confident87.6Confident23 Ų2360 Ų6014%0.13932%0.316CS..Hα-helixtrans-61.5-39.9179.4179.80000111.5E503 I506 L507 M510 L522 G527 A532 I533E503-V529 HydrophobicContact CB-CG2 3.72Å; E503-V529 HydrophobicContact CG-CG2 3.5Å; I506-V529 HydrophobicContact CB-CG1 4.41Å; I506-V529 HydrophobicContact CD1-CG2 4.37Å; I506-V529 HydrophobicContact CG2-CG1 3.78Å; L507-V529 HydrophobicContact CD2-CG1 4.36Å; L507-V529 HydrophobicContact CG-CG1 4.4Å; M510-V529 HydrophobicContact CE-CG1 3.7Å; L522-V529 HydrophobicContact CD2-CG2 4.41Å; G527-V529 PolarHBondContact O-N 3.15Å; G527-V529 VanDerWaalsContact O-N 3.15Å; V529-A532 WeakPolarHBondContact O-CB 3.47Å; V529-A532 PolarHBondContact O-N 3.04Å; V529-I533 HydrophobicContact CG1-CD1 4.25Å; V529-I533 HydrophobicContact CG1-CG1 4.49Å; V529-I533 WeakPolarHBondContact O-CG1 3.48Å; V529-I533 PolarHBondContact O-N 3.11Å
530N87.9Confident86.9Confident117 Ų11764.3 Ų64.363%0.62634%0.34SS*.Hα-helixtrans-69.3-43.7-176.8-64.8-70.9000111.1D528 A532 I533 D534D528-N530 VanDerWaalsContact C-N 3.33Å; D528-N530 PolarHBondContact O-N 2.88Å; D528-N530 WeakPolarHBondContact OD1-CA 3.43Å; D528-N530 WeakPolarHBondContact OD1-CB 3.4Å; D528-N530 PolarHBondContact OD1-N 3.23Å; N530-A532 VanDerWaalsContact C-N 3.27Å; N530-A532 PolarHBondContact O-N 3.23Å; N530-I533 WeakPolarHBondContact O-CB 3.41Å; N530-I533 PolarHBondContact O-N 2.71Å; N530-D534 PolarHBondContact O-N 2.6Å; N530-D534 VanDerWaalsContact O-N 3.15Å
531A89.8Confident86.1Confident41 Ų4166.1 Ų66.134%0.33935%0.348SS..Hα-helixtrans-66.3-33174.100000111.4T525 D528 D534 R535T525-A531 VanDerWaalsContact CG2-C 3.45Å; T525-A531 HydrophobicContact CG2-CB 3.52Å; D528-A531 HydrophobicContact CB-CB 4.08Å; D528-A531 PolarHBondContact OD1-N 3.48Å; D528-A531 VanDerWaalsContact OD1-N 3.1Å; A531-D534 PolarHBondContact O-N 2.79Å; A531-R535 PolarHBondContact O-N 2.89Å; A531-R535 VanDerWaalsContact O-N 3.1Å
532A89.2Confident84.8Confident0 Ų070.5 Ų70.50%038%0.379CS..Hα-helixtrans-65.6-41.6175.900000111.1L507 A521 L522 T525 D528 V529 N530 D534 R535 L536L507-A532 HydrophobicContact CD1-CB 4.24Å; A521-A532 HydrophobicContact CB-CB 3.8Å; L522-A532 HydrophobicContact CD2-CB 3.72Å; L522-A532 HydrophobicContact CG-CB 3.95Å; T525-A532 HydrophobicContact CG2-CB 4.47Å; D528-A532 VanDerWaalsContact O-CB 3.32Å; D528-A532 WeakPolarHBondContact O-CB 3.25Å; D528-A532 PolarHBondContact O-N 3.35Å; V529-A532 WeakPolarHBondContact O-CB 3.47Å; V529-A532 PolarHBondContact O-N 3.04Å; N530-A532 VanDerWaalsContact C-N 3.27Å; N530-A532 PolarHBondContact O-N 3.23Å; A532-D534 PolarHBondContact O-N 2.98Å; A532-R535 PolarHBondContact O-N 3.13Å; A532-L536 WeakPolarHBondContact O-CB 3.31Å; A532-L536 WeakPolarHBondContact O-CD1 3.15Å; A532-L536 WeakPolarHBondContact O-CG 3.4Å; A532-L536 PolarHBondContact O-N 2.85Å
533I89Confident82.8Confident33 Ų3384.2 Ų84.217%0.16943%0.43CS..Hα-helixtrans-57.8-48.2173.6-65.5162000110.7L507 M510 F512 V529 N530 R535 L536 L537L507-I533 HydrophobicContact CD2-CG1 3.67Å; M510-I533 HydrophobicContact CE-CD1 3.29Å; M510-I533 HydrophobicContact CE-CG1 3.55Å; M510-I533 HydrophobicContact SD-CD1 3.5Å; M510-I533 WeakPolarHBondContact SD-CD1 3.42Å; M510-I533 HydrophobicContact SD-CG1 4.28Å; F512-I533 HydrophobicContact CE2-CB 4.34Å; F512-I533 HydrophobicContact CE2-CG1 4.09Å; F512-I533 HydrophobicContact CE2-CG2 3.89Å; F512-I533 HydrophobicContact CZ-CG2 3.94Å; V529-I533 HydrophobicContact CG1-CD1 4.25Å; V529-I533 HydrophobicContact CG1-CG1 4.49Å; V529-I533 WeakPolarHBondContact O-CG1 3.48Å; V529-I533 PolarHBondContact O-N 3.11Å; N530-I533 WeakPolarHBondContact O-CB 3.41Å; N530-I533 PolarHBondContact O-N 2.71Å; I533-R535 VanDerWaalsContact C-N 3.31Å; I533-R535 PolarHBondContact O-N 2.78Å; I533-L536 CarbonylContact O-C 3.58Å; I533-L536 PolarHBondContact O-N 2.97Å; I533-L536 VanDerWaalsContact O-N 3.14Å; I533-L537 HydrophobicContact CG2-CD1 3.84Å; I533-L537 HydrophobicContact CG2-CG 4.21Å; I533-L537 WeakPolarHBondContact O-CG 3.3Å; I533-L537 PolarHBondContact O-N 2.76Å
534D88.8Confident82.6Confident88 Ų8884.7 Ų84.747%0.47143%0.432SS..Hα-helixtrans-59.9-43.9-178.9-168.3-94.8000111.1N530 A531 A532 L536 L537 Q538N530-D534 PolarHBondContact O-N 2.6Å; N530-D534 VanDerWaalsContact O-N 3.15Å; A531-D534 PolarHBondContact O-N 2.79Å; A532-D534 PolarHBondContact O-N 2.98Å; D534-L536 PolarHBondContact O-N 2.98Å; D534-L537 PolarHBondContact O-N 2.83Å; D534-Q538 VanDerWaalsContact O-CG 3.31Å; D534-Q538 WeakPolarHBondContact O-CG 3.36Å; D534-Q538 PolarHBondContact O-N 2.66Å; D534-Q538 PolarHBondContact OD1-NE2 2.85Å
535R87Confident82.3Confident112 Ų11286.9 Ų86.942%0.42344%0.437SS..Hα-helixtrans-66.6-35.4175.8-155.6-179.8-163-139.67.1113.1Q520 A521 A531 A532 I533 S539Q520-R535 PolarHBondContact O-NH1 2.95Å; A521-R535 HydrophobicContact CB-CB 4.49Å; A531-R535 PolarHBondContact O-N 2.89Å; A531-R535 VanDerWaalsContact O-N 3.1Å; A532-R535 PolarHBondContact O-N 3.13Å; I533-R535 VanDerWaalsContact C-N 3.31Å; I533-R535 PolarHBondContact O-N 2.78Å; R535-S539 WeakPolarHBondContact O-CB 3.3Å; R535-S539 PolarHBondContact O-N 2.92Å; R535-S539 PolarHBondContact O-OG 3.45Å
536L87.9Confident81.8Confident6 Ų690.3 Ų90.33%0.03145%0.453CS..Hα-helixtrans-68.9-38.4174.7-74.5165000111.8L507 F512 A517 N518 A521 A532 I533 D534 S539 N540L507-L536 HydrophobicContact CD1-CD1 3.94Å; L507-L536 HydrophobicContact CD2-CD1 3.59Å; L507-L536 HydrophobicContact CG-CD1 4.37Å; F512-L536 HydrophobicContact CB-CD1 4.24Å; F512-L536 HydrophobicContact CD1-CB 3.68Å; F512-L536 HydrophobicContact CD1-CD1 3.87Å; F512-L536 HydrophobicContact CD1-CG 4.23Å; F512-L536 HydrophobicContact CD2-CD1 4.27Å; F512-L536 HydrophobicContact CE1-CB 3.42Å; F512-L536 VanDerWaalsContact CE1-CB 3.42Å; F512-L536 HydrophobicContact CE1-CD1 4.28Å; F512-L536 HydrophobicContact CE1-CG 4.41Å; F512-L536 HydrophobicContact CG-CB 4.47Å; F512-L536 HydrophobicContact CG-CD1 3.87Å; F512-L536 HydrophobicContact CZ-CB 4.01Å; A517-L536 HydrophobicContact CB-CD2 3.69Å; N518-L536 VanDerWaalsContact OD1-CD1 3.27Å; N518-L536 WeakPolarHBondContact OD1-CD1 3.28Å; A521-L536 HydrophobicContact CB-CD1 4.09Å; A521-L536 HydrophobicContact CB-CD2 4.05Å; A521-L536 HydrophobicContact CB-CG 3.69Å; A532-L536 WeakPolarHBondContact O-CB 3.31Å; A532-L536 WeakPolarHBondContact O-CD1 3.15Å; A532-L536 WeakPolarHBondContact O-CG 3.4Å; A532-L536 PolarHBondContact O-N 2.85Å; I533-L536 CarbonylContact O-C 3.58Å; I533-L536 PolarHBondContact O-N 2.97Å; I533-L536 VanDerWaalsContact O-N 3.14Å; D534-L536 PolarHBondContact O-N 2.98Å; L536-S539 VanDerWaalsContact CA-OG 3.32Å; L536-S539 WeakPolarHBondContact CA-OG 3.35Å; L536-S539 PolarHBondContact O-N 3.32Å; L536-S539 PolarHBondContact O-OG 2.89Å; L536-S539 VanDerWaalsContact O-OG 3.08Å; L536-N540 WeakPolarHBondContact O-CB 3.48Å; L536-N540 PolarHBondContact O-N 3Å
537L87.1Confident81.7Confident86 Ų8684.9 Ų84.945%0.4543%0.432SS..Hα-helixtrans-64.8-43.3174.2-71.6171.3000111.1F512 I533 D534 N540 Q541F512-L537 HydrophobicContact CE1-CD2 4.4Å; F512-L537 HydrophobicContact CZ-CD2 4.05Å; F512-L537 HydrophobicContact CZ-CG 4.09Å; I533-L537 HydrophobicContact CG2-CD1 3.84Å; I533-L537 HydrophobicContact CG2-CG 4.21Å; I533-L537 WeakPolarHBondContact O-CG 3.3Å; I533-L537 PolarHBondContact O-N 2.76Å; D534-L537 PolarHBondContact O-N 2.83Å; L537-N540 PolarHBondContact O-N 3.36Å; L537-Q541 WeakPolarHBondContact O-CG 3.4Å; L537-Q541 PolarHBondContact O-N 3.31Å
538Q84.5Confident81.6Confident117 Ų11789.3 Ų89.355%0.54745%0.45SS..Hα-helixtrans-65.2-41.4176.2-68.8177.418.900112.7D534 Q541 S542D534-Q538 VanDerWaalsContact O-CG 3.31Å; D534-Q538 WeakPolarHBondContact O-CG 3.36Å; D534-Q538 PolarHBondContact O-N 2.66Å; D534-Q538 PolarHBondContact OD1-NE2 2.85Å; Q538-Q541 PolarHBondContact O-N 3.49Å; Q538-S542 PolarHBondContact O-N 3.07Å; Q538-S542 PolarHBondContact O-OG 2.71Å
539S81.7Confident81.3Confident60 Ų6089.9 Ų89.942%0.4245%0.451SS..Hα-helixtrans-71.3-31.9177.654.50000112.8R535 L536 S542R535-S539 WeakPolarHBondContact O-CB 3.3Å; R535-S539 PolarHBondContact O-N 2.92Å; R535-S539 PolarHBondContact O-OG 3.45Å; L536-S539 VanDerWaalsContact CA-OG 3.32Å; L536-S539 WeakPolarHBondContact CA-OG 3.35Å; L536-S539 PolarHBondContact O-N 3.32Å; L536-S539 PolarHBondContact O-OG 2.89Å; L536-S539 VanDerWaalsContact O-OG 3.08Å; S539-S542 WeakPolarHBondContact CA-OG 3.47Å; S539-S542 PolarHBondContact O-N 2.97Å; S539-S542 PolarHBondContact O-OG 2.62Å; S539-S542 VanDerWaalsContact O-OG 3.07Å
540N75.9Confident80.9Confident115 Ų11594.6 Ų94.662%0.61547%0.473SS*.Hα-helixtrans-78.1-20.6175.3-152.225000112.7L536 L537 S542L536-N540 WeakPolarHBondContact O-CB 3.48Å; L536-N540 PolarHBondContact O-N 3Å; L537-N540 PolarHBondContact O-N 3.36Å; N540-S542 VanDerWaalsContact C-N 3.35Å
541Q71.5Confident80.4Confident166 Ų16692.9 Ų92.978%0.77646%0.462SS*.Hα-helixtrans-79.2-15169.8-78.6-17015.500113.7L537 Q538L537-Q541 WeakPolarHBondContact O-CG 3.4Å; L537-Q541 PolarHBondContact O-N 3.31Å; Q538-Q541 PolarHBondContact O-N 3.49Å
542S63.4Low79.6Confident97 Ų9797.3 Ų97.368%0.67847%0.472SS*.THydrogen-bonded Turntrans-95.312.3-179.9340000113.7Q538 S539 N540Q538-S542 PolarHBondContact O-N 3.07Å; Q538-S542 PolarHBondContact O-OG 2.71Å; S539-S542 WeakPolarHBondContact CA-OG 3.47Å; S539-S542 PolarHBondContact O-N 2.97Å; S539-S542 PolarHBondContact O-OG 2.62Å; S539-S542 VanDerWaalsContact O-OG 3.07Å; N540-S542 VanDerWaalsContact C-N 3.35Å
543R48.9Very low78.7Confident287 Ų287106.1 Ų106.1100%1.08352%0.515SS*.  trans-117.70164.5-92.9-155.3157.7-167.9-3.9110.5

Retrieved 543 of 543 residues in 174.2 ms (Link to these results)