A0A077YXD7_TRITR Loading...

Trifunctional enzyme subunit alpha, mitochondrial

AlphaFold DB , UniProt , Accession A0A077YXD7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 728 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
1M60.6Low89.8Confident200 Ų20080.5 Ų80.599%0.98542%0.424SS*.  0147.20-71.7-176.3-17300108.5P20M1-P20 HydrophobicContact CB-CB 4.14Å; M1-P20 HydrophobicContact CB-CG 4Å; M1-P20 HydrophobicContact SD-CB 4.26Å
2T80.9Confident90.4Very high82 Ų8273.8 Ų73.850%0.50339%0.389SS..  trans-74.8148.3175.162.90000110.6V4T2-V4 PolarHBondContact OG1-O 3.48Å
3H86.3Confident91.1Very high32 Ų3268.1 Ų68.115%0.14836%0.359CS..SBendtrans-84.9-21175.3-51.179.9000112N18 V31 E34H3-N18 CarbonylContact O-C 3.57Å; H3-N18 VanDerWaalsContact O-C 3.27Å; H3-N18 PolarHBondContact O-N 3.21Å; H3-V31 HydrophobicContact CB-CG2 3.68Å; H3-E34 WeakPolarHBondContact CA-OE2 3.49Å; H3-E34 WeakPolarHBondContact CB-OE2 3.5Å; H3-E34 IonicContact CE1-OE1 2.85Å; H3-E34 IonicContact CG-OE1 2.64Å; H3-E34 PolarHBondContact N-OE1 2.77Å; H3-E34 PolarHBondContact N-OE2 3.2Å; H3-E34 IonicContact ND1-OE1 3.68Å; H3-E34 PolarHBondContact ND1-OE1 2.84Å; H3-E34 IonicContact ND1-OE2 3.37Å
4V90.1Very high91.6Very high7 Ų763.2 Ų63.24%0.04233%0.333CS..EExtended strand (participates in β ladder)trans-129.2139.7-175.9-168.60000109T2 I15 K16 L17 E34 V35T2-V4 PolarHBondContact OG1-O 3.48Å; V4-I15 HydrophobicContact CG1-CG2 3.43Å; V4-I15 VanDerWaalsContact CG1-CG2 3.43Å; V4-K16 WeakPolarHBondContact CA-O 3.4Å; V4-L17 HydrophobicContact CG1-CD2 4.25Å; V4-L17 HydrophobicContact CG2-CD2 3.78Å; V4-E34 HydrophobicContact CB-CB 3.88Å; V4-E34 HydrophobicContact CG2-CB 3.63Å; V4-E34 PolarHBondContact N-OE2 3.02Å; V4-V35 HydrophobicContact CG1-CG2 4.43Å; V4-V35 HydrophobicContact CG2-CG2 3.87Å
5K93Very high92Very high144 Ų14459.1 Ų59.163%0.62631%0.311SS*.EExtended strand (participates in β ladder)trans-122.2146.6168.4-66.6-176.9179.1-178.20108.9K16K5-K16 PolarHBondContact N-O 3.45Å; K5-K16 PolarHBondContact O-N 3.13Å
6S95.6Very high92.2Very high54 Ų5458 Ų5838%0.37830%0.303SS..EExtended strand (participates in β ladder)trans-124.8147.116755.50000111.9I14S6-I14 CarbonylContact C-O 3.5Å; S6-I14 WeakPolarHBondContact CA-O 3.14Å; S6-I14 VanDerWaalsContact CB-O 3.26Å; S6-I14 WeakPolarHBondContact CB-O 3.44Å
7Y96.5Very high92.4Very high81 Ų8154.7 Ų54.732%0.31829%0.286SS..EExtended strand (participates in β ladder)trans-155.4177.2177.857.4-84.6000109.6I14 K16 E204Y7-I14 HydrophobicContact CD1-CB 4.45Å; Y7-I14 HydrophobicContact CD1-CG2 4.31Å; Y7-I14 HydrophobicContact CD2-CB 4.2Å; Y7-I14 HydrophobicContact CD2-CD1 4.17Å; Y7-I14 HydrophobicContact CE1-CB 4.23Å; Y7-I14 HydrophobicContact CE1-CG2 3.67Å; Y7-I14 HydrophobicContact CE2-CB 3.97Å; Y7-I14 HydrophobicContact CE2-CD1 3.54Å; Y7-I14 HydrophobicContact CE2-CG1 4.32Å; Y7-I14 HydrophobicContact CE2-CG2 3.98Å; Y7-I14 HydrophobicContact CG-CB 4.44Å; Y7-I14 VanDerWaalsContact CZ-CG2 3.48Å; Y7-I14 PolarHBondContact N-O 3.23Å; Y7-I14 VanDerWaalsContact N-O 3.08Å; Y7-I14 PolarHBondContact O-N 3.47Å; Y7-K16 HydrophobicContact CE1-CB 4.14Å; Y7-K16 HydrophobicContact CE1-CD 4.09Å; Y7-E204 WeakPolarHBondContact CE2-OE1 3.47Å; Y7-E204 PolarHBondContact OH-OE1 2.82Å; Y7-E204 PolarHBondContact OH-OE2 3.17Å
8K97.4Very high92.4Very high104 Ų10455.7 Ų55.745%0.45229%0.291SS..EExtended strand (participates in β ladder)trans-117.4141-179.3-63.4-170.5-70.3-1670111.1V12 D45 S47 V48K8-V12 WeakPolarHBondContact CA-O 3.48Å; K8-D45 IonicContact NZ-OD1 3.98Å; K8-D45 IonicContact NZ-OD2 2.79Å; K8-D45 PolarHBondContact NZ-OD2 3.28Å; K8-S47 PolarHBondContact NZ-OG 3.43Å; K8-V48 HydrophobicContact CD-CG2 3.58Å; K8-V48 HydrophobicContact CG-CG2 4.05Å
9N95.9Very high92.3Very high64 Ų6452.9 Ų52.934%0.34228%0.277SS..EExtended strand (participates in β ladder)trans-116.892.1162.9-176.8-34.7000107.1E11 V12 I14 V208N9-E11 PolarHBondContact O-N 3.17Å; N9-V12 PolarHBondContact N-O 2.59Å; N9-V12 PolarHBondContact O-N 3.25Å; N9-I14 HydrophobicContact CB-CD1 3.81Å; N9-V208 HydrophobicContact CB-CG2 4.44Å
10G95.1Very high92Very high57 Ų5751.7 Ų51.759%0.58827%0.272SS*.THydrogen-bonded Turntrans58.3-121.3-168.200000111.3V12G10-V12 VanDerWaalsContact C-N 3.32Å
11E96.1Very high91.6Very high60 Ų6057.1 Ų57.128%0.2830%0.302SS..THydrogen-bonded Turntrans-81.1-5.4178.477.5-76.4-156.700114.2N9 V48 K49 R212 L215N9-E11 PolarHBondContact O-N 3.17Å; E11-V48 CarbonylContact O-C 3.51Å; E11-V48 WeakPolarHBondContact O-CA 3.4Å; E11-K49 HydrophobicContact CB-CB 4.26Å; E11-K49 HydrophobicContact CB-CG 4Å; E11-K49 HydrophobicContact CG-CB 4.31Å; E11-K49 HydrophobicContact CG-CG 4.42Å; E11-K49 PolarHBondContact O-N 3.17Å; E11-R212 WeakPolarHBondContact OE1-CD 3.35Å; E11-R212 VanDerWaalsContact OE1-CG 3.27Å; E11-R212 WeakPolarHBondContact OE1-CG 3.31Å; E11-R212 IonicContact OE1-CZ 2.88Å; E11-R212 IonicContact OE1-NE 3.87Å; E11-R212 PolarHBondContact OE1-NE 2.62Å; E11-R212 IonicContact OE1-NH2 3.03Å; E11-R212 IonicContact OE2-CZ 2.66Å; E11-R212 IonicContact OE2-NE 3.82Å; E11-R212 PolarHBondContact OE2-NE 3.25Å; E11-R212 IonicContact OE2-NH2 3.95Å; E11-R212 PolarHBondContact OE2-NH2 3.27Å; E11-L215 HydrophobicContact CG-CD1 4.21Å
12V97.9Very high92.8Very high0 Ų051.6 Ų51.60%027%0.272CS..EExtended strand (participates in β ladder)trans-97.4118.4-180-177.80000110.1K8 N9 G10 I14 L52 V208 V211 R212K8-V12 WeakPolarHBondContact CA-O 3.48Å; N9-V12 PolarHBondContact N-O 2.59Å; N9-V12 PolarHBondContact O-N 3.25Å; G10-V12 VanDerWaalsContact C-N 3.32Å; V12-I14 HydrophobicContact CG1-CG1 4.33Å; V12-L52 HydrophobicContact CG1-CB 4.26Å; V12-V208 HydrophobicContact CB-CG1 4.43Å; V12-V208 HydrophobicContact CG1-CG2 4.27Å; V12-V208 HydrophobicContact CG2-CG1 4.1Å; V12-V211 HydrophobicContact CB-CG1 4.48Å; V12-V211 HydrophobicContact CG1-CB 4.26Å; V12-V211 HydrophobicContact CG1-CG1 4.02Å; V12-V211 HydrophobicContact CG1-CG2 4.21Å; V12-V211 HydrophobicContact CG2-CB 4.11Å; V12-V211 HydrophobicContact CG2-CG1 3.72Å; V12-R212 HydrophobicContact CG2-CG 4.43Å
13G98.4Very high93Very high0 Ų056.4 Ų56.40%029%0.286CS..EExtended strand (participates in β ladder)trans-80.8132.3170.800000110.5G50 I51 L52G13-G50 PolarHBondContact N-O 3.38Å; G13-I51 CarbonylContact O-C 3.58Å; G13-I51 VanDerWaalsContact O-CA 3.22Å; G13-I51 WeakPolarHBondContact O-CA 3.37Å; G13-L52 PolarHBondContact O-N 2.83Å
14I98.2Very high93.2Very high0 Ų057.5 Ų57.50%029%0.291CS..EExtended strand (participates in β ladder)trans-116.7130.6-175.7-66.9174.1000109.1S6 Y7 N9 V12 L52 L54 E204 V208S6-I14 CarbonylContact C-O 3.5Å; S6-I14 WeakPolarHBondContact CA-O 3.14Å; S6-I14 VanDerWaalsContact CB-O 3.26Å; S6-I14 WeakPolarHBondContact CB-O 3.44Å; Y7-I14 HydrophobicContact CD1-CB 4.45Å; Y7-I14 HydrophobicContact CD1-CG2 4.31Å; Y7-I14 HydrophobicContact CD2-CB 4.2Å; Y7-I14 HydrophobicContact CD2-CD1 4.17Å; Y7-I14 HydrophobicContact CE1-CB 4.23Å; Y7-I14 HydrophobicContact CE1-CG2 3.67Å; Y7-I14 HydrophobicContact CE2-CB 3.97Å; Y7-I14 HydrophobicContact CE2-CD1 3.54Å; Y7-I14 HydrophobicContact CE2-CG1 4.32Å; Y7-I14 HydrophobicContact CE2-CG2 3.98Å; Y7-I14 HydrophobicContact CG-CB 4.44Å; Y7-I14 VanDerWaalsContact CZ-CG2 3.48Å; Y7-I14 PolarHBondContact N-O 3.23Å; Y7-I14 VanDerWaalsContact N-O 3.08Å; Y7-I14 PolarHBondContact O-N 3.47Å; N9-I14 HydrophobicContact CB-CD1 3.81Å; V12-I14 HydrophobicContact CG1-CG1 4.33Å; I14-L52 CarbonylContact C-O 3.53Å; I14-L52 WeakPolarHBondContact CA-O 3.16Å; I14-L52 HydrophobicContact CG1-CB 4.29Å; I14-L52 HydrophobicContact CG1-CD2 4.43Å; I14-L54 HydrophobicContact CG2-CD2 3.33Å; I14-L54 HydrophobicContact CG2-CG 4.41Å; I14-E204 HydrophobicContact CD1-CG 4.3Å; I14-V208 HydrophobicContact CD1-CG2 4.12Å
15I97.7Very high93.5Very high1 Ų157.2 Ų57.21%0.00529%0.29CS..EExtended strand (participates in β ladder)trans-111.5114.5170.8-56.2-179.4000107.4V4 C38 L39 L42 I51 L52 V53 L54V4-I15 HydrophobicContact CG1-CG2 3.43Å; V4-I15 VanDerWaalsContact CG1-CG2 3.43Å; I15-C38 HydrophobicContact CD1-CB 4.06Å; I15-C38 HydrophobicContact CG1-CB 4.07Å; I15-C38 HydrophobicContact CG2-CB 4.28Å; I15-L39 HydrophobicContact CD1-CB 4.14Å; I15-L39 HydrophobicContact CD1-CD1 4.33Å; I15-L42 HydrophobicContact CD1-CD1 4.15Å; I15-L42 HydrophobicContact CG1-CD1 3.56Å; I15-I51 HydrophobicContact CD1-CG2 4.05Å; I15-I51 HydrophobicContact CG1-CG2 4.21Å; I15-L52 PolarHBondContact N-O 2.85Å; I15-V53 HydrophobicContact CB-CG2 4.39Å; I15-V53 HydrophobicContact CD1-CG2 4.49Å; I15-V53 WeakPolarHBondContact O-CA 3.36Å; I15-L54 PolarHBondContact O-N 3.46Å
16K96.1Very high93.5Very high42 Ų4251.5 Ų51.518%0.18327%0.267CS..EExtended strand (participates in β ladder)trans-113.1115.5-176.8-164.4162.3-167.9156.20110.5V4 K5 Y7 L54 G56 E204V4-K16 WeakPolarHBondContact CA-O 3.4Å; K5-K16 PolarHBondContact N-O 3.45Å; K5-K16 PolarHBondContact O-N 3.13Å; Y7-K16 HydrophobicContact CE1-CB 4.14Å; Y7-K16 HydrophobicContact CE1-CD 4.09Å; K16-L54 CarbonylContact C-O 3.51Å; K16-L54 WeakPolarHBondContact CA-O 3.46Å; K16-L54 HydrophobicContact CB-CD1 4.5Å; K16-L54 HydrophobicContact CB-CG 4.35Å; K16-L54 HydrophobicContact CD-CD1 3.7Å; K16-L54 HydrophobicContact CD-CG 4.42Å; K16-L54 VanDerWaalsContact CE-CD1 3.49Å; K16-L54 HydrophobicContact CG-CD1 3.76Å; K16-L54 HydrophobicContact CG-CG 4.07Å; K16-G56 VanDerWaalsContact CE-CA 3.46Å; K16-E204 IonicContact NZ-OE2 3.88Å; K16-E204 PolarHBondContact NZ-OE2 2.88Å
17L95.4Very high93.3Very high2 Ų249.1 Ų49.11%0.0125%0.25CS..EExtended strand (participates in β ladder)trans-84.5128.3178.9-58.3171.2000110.5V4 N25 V31 V35 V53 L54 S55 G56 I62V4-L17 HydrophobicContact CG1-CD2 4.25Å; V4-L17 HydrophobicContact CG2-CD2 3.78Å; L17-N25 PolarHBondContact O-ND2 2.98Å; L17-V31 HydrophobicContact CD2-CG1 4.4Å; L17-V35 HydrophobicContact CD2-CG2 3.57Å; L17-V53 HydrophobicContact CD1-CG1 4.3Å; L17-L54 PolarHBondContact N-O 3.35Å; L17-S55 CarbonylContact O-C 3.6Å; L17-S55 WeakPolarHBondContact O-CA 3.46Å; L17-S55 PolarHBondContact O-OG 3.08Å; L17-G56 PolarHBondContact O-N 2.94Å; L17-I62 HydrophobicContact CD1-CD1 3.44Å; L17-I62 VanDerWaalsContact CD1-CD1 3.44Å; L17-I62 HydrophobicContact CD1-CG1 3.58Å
18N92.8Very high93.1Very high72 Ų7246.2 Ų46.239%0.38524%0.24SC..  trans-155.288.9173.8-175.920.4000109.7H3 P20 N25 K57H3-N18 CarbonylContact O-C 3.57Å; H3-N18 VanDerWaalsContact O-C 3.27Å; H3-N18 PolarHBondContact O-N 3.21Å; N18-P20 VanDerWaalsContact O-CD 3.27Å; N18-P20 WeakPolarHBondContact O-CD 3.34Å; N18-P20 VanDerWaalsContact O-N 3.17Å; N18-N25 WeakPolarHBondContact CA-OD1 3.26Å; N18-K57 WeakPolarHBondContact OD1-CE 3.37Å; N18-K57 WeakPolarHBondContact OD1-CG 3.49Å; N18-K57 PolarHBondContact OD1-NZ 3.26Å
19C90.2Very high92.7Very high3 Ų343.6 Ų43.62%0.0223%0.233CC..  trans-63.6115.2173.9-63.60000109.5K22 N25 K57C19-K22 HydrophobicContact CB-CB 4.37Å; C19-N25 PolarHBondContact N-OD1 2.67Å; C19-K57 WeakPolarHBondContact O-CE 3.37Å; C19-K57 PolarHBondContact O-NZ 3.19Å
20P85.8Confident92.5Very high28 Ų2844.9 Ų44.918%0.18224%0.239CC..THydrogen-bonded Turntrans-63.1153.3177.928.5-35000110.4M1 N18 K22M1-P20 HydrophobicContact CB-CB 4.14Å; M1-P20 HydrophobicContact CB-CG 4Å; M1-P20 HydrophobicContact SD-CB 4.26Å; N18-P20 VanDerWaalsContact O-CD 3.27Å; N18-P20 WeakPolarHBondContact O-CD 3.34Å; N18-P20 VanDerWaalsContact O-N 3.17Å; P20-K22 PolarHBondContact O-N 3.35Å
21D84.7Confident92.3Very high166 Ų16642.4 Ų42.489%0.88821%0.213SC*.THydrogen-bonded Turntrans58.55.6174.3-46.6-46.3000116.5
22K84.1Confident91.9Very high84 Ų8439.9 Ų39.937%0.36520%0.201SC..  trans-112.6142.4172.3-64.7-166.8177.9-169.60110.6C19 P20 E24 V26 K57 D66C19-K22 HydrophobicContact CB-CB 4.37Å; P20-K22 PolarHBondContact O-N 3.35Å; K22-E24 VanDerWaalsContact C-N 3.34Å; K22-E24 WeakPolarHBondContact CB-O 3.28Å; K22-V26 HydrophobicContact CD-CG2 3.94Å; K22-K57 WeakPolarHBondContact O-CE 3.22Å; K22-K57 PolarHBondContact O-NZ 3.28Å; K22-D66 IonicContact NZ-OD2 3.81Å; K22-D66 PolarHBondContact NZ-OD2 2.83Å
23K85.5Confident91.6Very high184 Ų18444.3 Ų44.380%0.822%0.224SC*.SBendtrans-65.7-39.6173.3-174.4-179.5177.1-179.50111.8K57K23-K57 WeakPolarHBondContact O-CD 3.26Å
24E91.4Very high91.4Very high55 Ų5546.4 Ų46.426%0.25723%0.234SC..SBendtrans-115150.1179.8-56.7-73.1138.600110.3K22 S60 A63 T107K22-E24 VanDerWaalsContact C-N 3.34Å; K22-E24 WeakPolarHBondContact CB-O 3.28Å; E24-S60 WeakPolarHBondContact CA-OG 3.46Å; E24-S60 VanDerWaalsContact OE2-CB 3.24Å; E24-S60 WeakPolarHBondContact OE2-CB 3.4Å; E24-S60 PolarHBondContact OE2-OG 2.86Å; E24-A63 HydrophobicContact CB-CB 3.86Å; E24-A63 HydrophobicContact CG-CB 4.23Å; E24-T107 PolarHBondContact OE2-OG1 3.1Å
25N94.9Very high91.1Very high1 Ų146.7 Ų46.71%0.00524%0.235CC..  trans-74.5137.9167-69-26.4000109.4L17 N18 C19 S55 K57 S60 F61 I62 A63L17-N25 PolarHBondContact O-ND2 2.98Å; N18-N25 WeakPolarHBondContact CA-OD1 3.26Å; C19-N25 PolarHBondContact N-OD1 2.67Å; N25-S55 PolarHBondContact ND2-OG 3.43Å; N25-K57 WeakPolarHBondContact OD1-CD 3.4Å; N25-K57 WeakPolarHBondContact OD1-CE 3.4Å; N25-S60 PolarHBondContact N-OG 2.67Å; N25-S60 PolarHBondContact ND2-O 2.92Å; N25-F61 VanDerWaalsContact CB-O 3.24Å; N25-F61 WeakPolarHBondContact CB-O 3.46Å; N25-F61 PolarHBondContact ND2-O 2.9Å; N25-I62 HydrophobicContact CB-CG1 4.34Å; N25-I62 CarbonylContact O-C 3.27Å; N25-I62 WeakPolarHBondContact O-CA 3.4Å; N25-A63 PolarHBondContact O-N 3.48Å
26V93.9Very high90.8Very high23 Ų2349.8 Ų49.814%0.13925%0.249CC..  trans-134.1149177.6-65.10000110.3K22 N28 G64 D66K22-V26 HydrophobicContact CD-CG2 3.94Å; V26-N28 PolarHBondContact O-N 2.9Å; V26-G64 CarbonylContact C-O 3.58Å; V26-G64 WeakPolarHBondContact CA-O 3.4Å; V26-D66 HydrophobicContact CB-CB 4.44Å; V26-D66 HydrophobicContact CG2-CB 4.14Å
27V92.1Very high90.8Very high5 Ų549.5 Ų49.53%0.0326%0.258CS..BIsolated β-bridgetrans-79.7119.6173.1-174.70000109.2M32 I62 G64 D66 M69 F86V27-M32 HydrophobicContact CG1-CG 3.69Å; V27-M32 HydrophobicContact CG1-SD 4.18Å; V27-I62 HydrophobicContact CG2-CD1 4.29Å; V27-I62 HydrophobicContact CG2-CG2 3.61Å; V27-G64 PolarHBondContact N-O 2.87Å; V27-D66 PolarHBondContact O-N 3.09Å; V27-M69 WeakPolarHBondContact O-CE 3.29Å; V27-F86 HydrophobicContact CG1-CD2 4.34Å; V27-F86 HydrophobicContact CG1-CE2 4.02Å; V27-F86 HydrophobicContact CG1-CZ 4.24Å; V27-F86 HydrophobicContact CG2-CZ 4.34Å
28N91.5Very high90.8Very high20 Ų2050.2 Ų50.211%0.10726%0.263CS..  trans-134.2176.9166.164.537.7000110V26 N30 V31 M32 D66 M69V26-N28 PolarHBondContact O-N 2.9Å; N28-N30 VanDerWaalsContact C-N 3.26Å; N28-N30 PolarHBondContact O-N 3.17Å; N28-N30 WeakPolarHBondContact OD1-CB 3.37Å; N28-N30 PolarHBondContact OD1-N 3.06Å; N28-V31 PolarHBondContact O-N 2.7Å; N28-V31 WeakPolarHBondContact OD1-CG2 3.4Å; N28-V31 PolarHBondContact OD1-N 2.8Å; N28-M32 WeakPolarHBondContact O-CG 3.21Å; N28-M32 PolarHBondContact O-N 2.96Å; N28-D66 HydrophobicContact CB-CB 4.06Å; N28-M69 HydrophobicContact CB-SD 4.27Å
29V89.1Confident90.9Very high49 Ų4946.9 Ų46.930%0.29725%0.245SC..Hα-helixtrans-55.6-40.1-178.6-179.60000112.7M32 I33 M69 L82V29-M32 HydrophobicContact CB-CE 4.34Å; V29-M32 HydrophobicContact CG2-CE 4.03Å; V29-M32 WeakPolarHBondContact O-CB 3.4Å; V29-M32 PolarHBondContact O-N 3.49Å; V29-I33 HydrophobicContact CG1-CD1 3.83Å; V29-I33 HydrophobicContact CG1-CG1 4.48Å; V29-I33 VanDerWaalsContact O-CG1 3.3Å; V29-I33 WeakPolarHBondContact O-CG1 3.42Å; V29-I33 PolarHBondContact O-N 2.72Å; V29-M69 HydrophobicContact CG2-CG 4.47Å; V29-M69 HydrophobicContact CG2-SD 3.87Å; V29-L82 HydrophobicContact CG2-CD1 3.87Å
30N90.7Very high91.1Very high90 Ų9048.5 Ų48.548%0.48125%0.254SS..Hα-helixtrans-67.9-47.6-180-63.5-24000111.3N28 M32 I33 E34N28-N30 VanDerWaalsContact C-N 3.26Å; N28-N30 PolarHBondContact O-N 3.17Å; N28-N30 WeakPolarHBondContact OD1-CB 3.37Å; N28-N30 PolarHBondContact OD1-N 3.06Å; N30-M32 VanDerWaalsContact C-N 3.27Å; N30-M32 PolarHBondContact O-N 3.32Å; N30-I33 PolarHBondContact O-N 2.77Å; N30-E34 WeakPolarHBondContact O-CB 3.41Å; N30-E34 WeakPolarHBondContact O-CG 3.35Å; N30-E34 PolarHBondContact O-N 3.36Å
31V90.8Very high91.6Very high6 Ų649.9 Ų49.94%0.03627%0.267CS..Hα-helixtrans-57.8-42.8175.1174.20000110.6H3 L17 N28 E34 V35H3-V31 HydrophobicContact CB-CG2 3.68Å; L17-V31 HydrophobicContact CD2-CG1 4.4Å; N28-V31 PolarHBondContact O-N 2.7Å; N28-V31 WeakPolarHBondContact OD1-CG2 3.4Å; N28-V31 PolarHBondContact OD1-N 2.8Å; V31-E34 PolarHBondContact O-N 3.18Å; V31-V35 HydrophobicContact CG1-CG2 4.21Å; V31-V35 WeakPolarHBondContact O-CB 3.46Å; V31-V35 VanDerWaalsContact O-CG2 3.27Å; V31-V35 WeakPolarHBondContact O-CG2 3.45Å; V31-V35 PolarHBondContact O-N 3.24Å
32M89.3Confident92.2Very high7 Ų742.4 Ų42.43%0.03423%0.228CC..Hα-helixtrans-59-48.8176.2-75.9-167.2-68.700112.3V27 N28 V29 N30 F36 M69 L82 F86 I89V27-M32 HydrophobicContact CG1-CG 3.69Å; V27-M32 HydrophobicContact CG1-SD 4.18Å; N28-M32 WeakPolarHBondContact O-CG 3.21Å; N28-M32 PolarHBondContact O-N 2.96Å; V29-M32 HydrophobicContact CB-CE 4.34Å; V29-M32 HydrophobicContact CG2-CE 4.03Å; V29-M32 WeakPolarHBondContact O-CB 3.4Å; V29-M32 PolarHBondContact O-N 3.49Å; N30-M32 VanDerWaalsContact C-N 3.27Å; N30-M32 PolarHBondContact O-N 3.32Å; M32-F36 VanDerWaalsContact O-CB 3.28Å; M32-F36 WeakPolarHBondContact O-CB 3.47Å; M32-F36 PolarHBondContact O-N 3.31Å; M32-M69 HydrophobicContact CE-SD 4.33Å; M32-L82 HydrophobicContact CE-CD1 3.7Å; M32-F86 HydrophobicContact CG-CD2 3.91Å; M32-F86 HydrophobicContact CG-CE2 4.44Å; M32-F86 HydrophobicContact SD-CB 3.55Å; M32-F86 VanDerWaalsContact SD-CB 3.55Å; M32-F86 HydrophobicContact SD-CD2 3.52Å; M32-F86 VanDerWaalsContact SD-CD2 3.52Å; M32-F86 HydrophobicContact SD-CG 3.79Å; M32-I89 HydrophobicContact CB-CD1 3.58Å; M32-I89 HydrophobicContact CG-CD1 4.12Å; M32-I89 WeakPolarHBondContact O-CD1 3.49Å; M32-I89 HydrophobicContact SD-CD1 4.41Å
33I91.1Very high92.8Very high92 Ų9240.6 Ų40.647%0.47222%0.224SC..Hα-helixtrans-62.7-44.3179-69.7166.6000111V29 N30 F36 G37V29-I33 HydrophobicContact CG1-CD1 3.83Å; V29-I33 HydrophobicContact CG1-CG1 4.48Å; V29-I33 VanDerWaalsContact O-CG1 3.3Å; V29-I33 WeakPolarHBondContact O-CG1 3.42Å; V29-I33 PolarHBondContact O-N 2.72Å; N30-I33 PolarHBondContact O-N 2.77Å; I33-F36 WeakPolarHBondContact O-CB 3.42Å; I33-F36 PolarHBondContact O-N 3.39Å; I33-G37 PolarHBondContact O-N 3.49Å
34E94.2Very high93.3Very high45 Ų4539.6 Ų39.621%0.2122%0.222CC..Hα-helixtrans-68.9-42.1-178.3-70.3180-150.200112.5H3 V4 N30 V31 F36 G37 C38H3-E34 WeakPolarHBondContact CA-OE2 3.49Å; H3-E34 WeakPolarHBondContact CB-OE2 3.5Å; H3-E34 IonicContact CE1-OE1 2.85Å; H3-E34 IonicContact CG-OE1 2.64Å; H3-E34 PolarHBondContact N-OE1 2.77Å; H3-E34 PolarHBondContact N-OE2 3.2Å; H3-E34 IonicContact ND1-OE1 3.68Å; H3-E34 PolarHBondContact ND1-OE1 2.84Å; H3-E34 IonicContact ND1-OE2 3.37Å; V4-E34 HydrophobicContact CB-CB 3.88Å; V4-E34 HydrophobicContact CG2-CB 3.63Å; V4-E34 PolarHBondContact N-OE2 3.02Å; N30-E34 WeakPolarHBondContact O-CB 3.41Å; N30-E34 WeakPolarHBondContact O-CG 3.35Å; N30-E34 PolarHBondContact O-N 3.36Å; V31-E34 PolarHBondContact O-N 3.18Å; E34-F36 VanDerWaalsContact C-N 3.3Å; E34-F36 PolarHBondContact O-N 3.22Å; E34-G37 PolarHBondContact O-N 3.14Å; E34-C38 WeakPolarHBondContact O-CB 3.42Å; E34-C38 PolarHBondContact O-N 3.49Å; E34-C38 PolarHBondContact O-SG 3.01Å
35V92.3Very high93.5Very high6 Ų639.3 Ų39.34%0.03622%0.222CC..Hα-helixtrans-59.4-45.1172.6169.10000110.1V4 L17 V31 C38 L39 I89V4-V35 HydrophobicContact CG1-CG2 4.43Å; V4-V35 HydrophobicContact CG2-CG2 3.87Å; L17-V35 HydrophobicContact CD2-CG2 3.57Å; V31-V35 HydrophobicContact CG1-CG2 4.21Å; V31-V35 WeakPolarHBondContact O-CB 3.46Å; V31-V35 VanDerWaalsContact O-CG2 3.27Å; V31-V35 WeakPolarHBondContact O-CG2 3.45Å; V31-V35 PolarHBondContact O-N 3.24Å; V35-C38 PolarHBondContact O-N 2.96Å; V35-L39 VanDerWaalsContact O-CB 3.25Å; V35-L39 WeakPolarHBondContact O-CB 3.34Å; V35-L39 PolarHBondContact O-N 3.07Å; V35-I89 HydrophobicContact CG1-CG2 4.44Å
36F91.9Very high93.6Very high65 Ų6543.8 Ų43.829%0.28525%0.253SS..Hα-helixtrans-61.1-45.4177.8174.4-101.6000112.4M32 I33 E34 L39 N40 I89 R92M32-F36 VanDerWaalsContact O-CB 3.28Å; M32-F36 WeakPolarHBondContact O-CB 3.47Å; M32-F36 PolarHBondContact O-N 3.31Å; I33-F36 WeakPolarHBondContact O-CB 3.42Å; I33-F36 PolarHBondContact O-N 3.39Å; E34-F36 VanDerWaalsContact C-N 3.3Å; E34-F36 PolarHBondContact O-N 3.22Å; F36-L39 PolarHBondContact O-N 3.03Å; F36-N40 WeakPolarHBondContact CE1-ND2 3.11Å; F36-N40 WeakPolarHBondContact CE2-ND2 3.34Å; F36-N40 WeakPolarHBondContact CZ-ND2 3.2Å; F36-N40 PolarHBondContact O-N 3.25Å; F36-N40 PolarHBondContact O-ND2 2.95Å; F36-I89 HydrophobicContact CB-CD1 4.28Å; F36-I89 HydrophobicContact CB-CG1 4.13Å; F36-I89 HydrophobicContact CB-CG2 4.43Å; F36-I89 HydrophobicContact CD2-CG1 4.11Å; F36-I89 HydrophobicContact CG-CG1 4.45Å; F36-R92 VanDerWaalsContact CE2-CD 3.48Å
37G94.7Very high93.8Very high37 Ų3745.1 Ų45.138%0.38126%0.264SS..Hα-helixtrans-59.8-48.8176.500000112I33 E34 L39 N40 A41I33-G37 PolarHBondContact O-N 3.49Å; E34-G37 PolarHBondContact O-N 3.14Å; G37-L39 PolarHBondContact O-N 3.28Å; G37-N40 PolarHBondContact O-N 3.33Å; G37-A41 WeakPolarHBondContact O-CB 3.39Å; G37-A41 PolarHBondContact O-N 3.08Å
38C95.4Very high94Very high17 Ų1744.9 Ų44.912%0.11526%0.262CS..Hα-helixtrans-61.2-45.2176.9-67.40000111.9I15 E34 V35 N40 A41 L42I15-C38 HydrophobicContact CD1-CB 4.06Å; I15-C38 HydrophobicContact CG1-CB 4.07Å; I15-C38 HydrophobicContact CG2-CB 4.28Å; E34-C38 WeakPolarHBondContact O-CB 3.42Å; E34-C38 PolarHBondContact O-N 3.49Å; E34-C38 PolarHBondContact O-SG 3.01Å; V35-C38 PolarHBondContact O-N 2.96Å; C38-N40 PolarHBondContact O-N 3.31Å; C38-A41 PolarHBondContact O-N 2.89Å; C38-L42 WeakPolarHBondContact O-CB 3.16Å; C38-L42 VanDerWaalsContact O-CG 3.32Å; C38-L42 WeakPolarHBondContact O-CG 3.4Å; C38-L42 PolarHBondContact O-N 3.34Å
39L95.3Very high94.3Very high1 Ų149.4 Ų49.41%0.00528%0.281CS..Hα-helixtrans-60.2-47.4178.9-177.771.7000111.2I15 V35 F36 G37 L42 T43 I51 R92 I93I15-L39 HydrophobicContact CD1-CB 4.14Å; I15-L39 HydrophobicContact CD1-CD1 4.33Å; V35-L39 VanDerWaalsContact O-CB 3.25Å; V35-L39 WeakPolarHBondContact O-CB 3.34Å; V35-L39 PolarHBondContact O-N 3.07Å; F36-L39 PolarHBondContact O-N 3.03Å; G37-L39 PolarHBondContact O-N 3.28Å; L39-L42 PolarHBondContact O-N 3.48Å; L39-T43 VanDerWaalsContact O-CB 3.24Å; L39-T43 WeakPolarHBondContact O-CB 3.43Å; L39-T43 PolarHBondContact O-N 3.13Å; L39-T43 PolarHBondContact O-OG1 3.43Å; L39-I51 HydrophobicContact CD1-CD1 3.87Å; L39-R92 HydrophobicContact CD2-CB 4.18Å; L39-I93 HydrophobicContact CD1-CG1 4.24Å; L39-I93 HydrophobicContact CD2-CG1 3.5Å
40N95.1Very high94.7Very high37 Ų3747 Ų4720%0.19827%0.267CS..Hα-helixtrans-63.5-46179.5-72.3-24.4000111.6F36 G37 C38 L42 T43 Q44F36-N40 WeakPolarHBondContact CE1-ND2 3.11Å; F36-N40 WeakPolarHBondContact CE2-ND2 3.34Å; F36-N40 WeakPolarHBondContact CZ-ND2 3.2Å; F36-N40 PolarHBondContact O-N 3.25Å; F36-N40 PolarHBondContact O-ND2 2.95Å; G37-N40 PolarHBondContact O-N 3.33Å; C38-N40 PolarHBondContact O-N 3.31Å; N40-L42 PolarHBondContact O-N 3.5Å; N40-T43 PolarHBondContact O-N 3.03Å; N40-Q44 WeakPolarHBondContact O-CB 3.48Å; N40-Q44 WeakPolarHBondContact O-CG 3.37Å; N40-Q44 PolarHBondContact O-N 2.95Å
41A96.4Very high95Very high57 Ų5742.8 Ų42.847%0.47124%0.244SC..Hα-helixtrans-58.4-48.4178.700000111.5G37 C38 T43 Q44 D45G37-A41 WeakPolarHBondContact O-CB 3.39Å; G37-A41 PolarHBondContact O-N 3.08Å; C38-A41 PolarHBondContact O-N 2.89Å; A41-T43 VanDerWaalsContact C-N 3.33Å; A41-T43 PolarHBondContact O-N 3.45Å; A41-Q44 PolarHBondContact O-N 3.08Å; A41-D45 PolarHBondContact O-N 3.29Å
42L97.1Very high95.4Very high10 Ų1042.5 Ų42.55%0.05224%0.242CC..Hα-helixtrans-68.2-31177.5-67.3176.6000112.9I15 C38 L39 N40 V48 I51 K98I15-L42 HydrophobicContact CD1-CD1 4.15Å; I15-L42 HydrophobicContact CG1-CD1 3.56Å; C38-L42 WeakPolarHBondContact O-CB 3.16Å; C38-L42 VanDerWaalsContact O-CG 3.32Å; C38-L42 WeakPolarHBondContact O-CG 3.4Å; C38-L42 PolarHBondContact O-N 3.34Å; L39-L42 PolarHBondContact O-N 3.48Å; N40-L42 PolarHBondContact O-N 3.5Å; L42-V48 HydrophobicContact CB-CG1 4.42Å; L42-V48 HydrophobicContact CD2-CG2 3.95Å; L42-V48 WeakPolarHBondContact O-CB 3.27Å; L42-V48 WeakPolarHBondContact O-CG1 3.46Å; L42-I51 HydrophobicContact CB-CD1 4.01Å; L42-I51 HydrophobicContact CB-CG1 4.35Å; L42-I51 HydrophobicContact CD1-CG2 4.3Å; L42-K98 PolarHBondContact O-NZ 3.08Å
43T95.2Very high95.8Very high46 Ų4642.2 Ų42.228%0.28224%0.241SC..Hα-helixtrans-70.2-37.7176.1-57.70000111.2L39 N40 A41 N96 K98L39-T43 VanDerWaalsContact O-CB 3.24Å; L39-T43 WeakPolarHBondContact O-CB 3.43Å; L39-T43 PolarHBondContact O-N 3.13Å; L39-T43 PolarHBondContact O-OG1 3.43Å; N40-T43 PolarHBondContact O-N 3.03Å; A41-T43 VanDerWaalsContact C-N 3.33Å; A41-T43 PolarHBondContact O-N 3.45Å; T43-N96 PolarHBondContact OG1-ND2 3.29Å; T43-K98 WeakPolarHBondContact O-CE 3.48Å; T43-K98 PolarHBondContact O-NZ 3.35Å
44Q96Very high96Very high162 Ų16237.9 Ų37.976%0.75722%0.219SC*.Hα-helixtrans-79.8-26.9179.7-70174.4-8.400113.3N40 A41 S46N40-Q44 WeakPolarHBondContact O-CB 3.48Å; N40-Q44 WeakPolarHBondContact O-CG 3.37Å; N40-Q44 PolarHBondContact O-N 2.95Å; A41-Q44 PolarHBondContact O-N 3.08Å; Q44-S46 PolarHBondContact O-N 3.09Å
45D97.3Very high96.1Very high49 Ų4936.2 Ų36.226%0.26221%0.212SC..  trans-66.9112176.2-175.5-17.9000110.9K8 A41 S47 V48 K98K8-D45 IonicContact NZ-OD1 3.98Å; K8-D45 IonicContact NZ-OD2 2.79Å; K8-D45 PolarHBondContact NZ-OD2 3.28Å; A41-D45 PolarHBondContact O-N 3.29Å; D45-S47 PolarHBondContact O-N 3.32Å; D45-S47 VanDerWaalsContact OD1-CB 3.31Å; D45-S47 WeakPolarHBondContact OD1-CB 3.43Å; D45-S47 PolarHBondContact OD1-N 3.05Å; D45-S47 PolarHBondContact OD1-OG 3.48Å; D45-S47 PolarHBondContact OD2-OG 3.24Å; D45-V48 HydrophobicContact CB-CB 4.39Å; D45-V48 HydrophobicContact CB-CG2 4.05Å; D45-V48 PolarHBondContact O-N 2.91Å; D45-V48 VanDerWaalsContact O-N 3.1Å; D45-K98 PolarHBondContact O-NZ 3.12Å
46S96.1Very high96Very high95 Ų9537 Ų3766%0.66422%0.222SC*.THydrogen-bonded Turntrans-66.7-20.5-177.961.50000114Q44 V48 K49Q44-S46 PolarHBondContact O-N 3.09Å; S46-V48 VanDerWaalsContact C-N 3.32Å; S46-K49 WeakPolarHBondContact O-CE 3.11Å; S46-K49 PolarHBondContact O-NZ 2.75Å
47S97.5Very high95.9Very high51 Ų5135.4 Ų35.436%0.35721%0.214SC..THydrogen-bonded Turntrans-74.1-24.417471.20000112.4K8 D45K8-S47 PolarHBondContact NZ-OG 3.43Å; D45-S47 PolarHBondContact O-N 3.32Å; D45-S47 VanDerWaalsContact OD1-CB 3.31Å; D45-S47 WeakPolarHBondContact OD1-CB 3.43Å; D45-S47 PolarHBondContact OD1-N 3.05Å; D45-S47 PolarHBondContact OD1-OG 3.48Å; D45-S47 PolarHBondContact OD2-OG 3.24Å
48V97.9Very high95.4Very high1 Ų135.5 Ų35.51%0.00621%0.208CC..  trans-82.4126.1174.7173.20000109.1K8 E11 L42 D45 S46 G50 I51 K98K8-V48 HydrophobicContact CD-CG2 3.58Å; K8-V48 HydrophobicContact CG-CG2 4.05Å; E11-V48 CarbonylContact O-C 3.51Å; E11-V48 WeakPolarHBondContact O-CA 3.4Å; L42-V48 HydrophobicContact CB-CG1 4.42Å; L42-V48 HydrophobicContact CD2-CG2 3.95Å; L42-V48 WeakPolarHBondContact O-CB 3.27Å; L42-V48 WeakPolarHBondContact O-CG1 3.46Å; D45-V48 HydrophobicContact CB-CB 4.39Å; D45-V48 HydrophobicContact CB-CG2 4.05Å; D45-V48 PolarHBondContact O-N 2.91Å; D45-V48 VanDerWaalsContact O-N 3.1Å; S46-V48 VanDerWaalsContact C-N 3.32Å; V48-G50 WeakPolarHBondContact CG1-O 3.39Å; V48-I51 HydrophobicContact CG1-CG1 4.2Å; V48-K98 HydrophobicContact CG1-CD 4.2Å; V48-K98 WeakPolarHBondContact O-CD 3.38Å; V48-K98 WeakPolarHBondContact O-CE 3.36Å; V48-K98 PolarHBondContact O-NZ 2.83Å
49K96.9Very high95.1Very high114 Ų11435.3 Ų35.350%0.49621%0.206SC..  trans-108.5-28.1178.9-58.2-54.9-175.4-165.50113E11 S46 K98 L215E11-K49 HydrophobicContact CB-CB 4.26Å; E11-K49 HydrophobicContact CB-CG 4Å; E11-K49 HydrophobicContact CG-CB 4.31Å; E11-K49 HydrophobicContact CG-CG 4.42Å; E11-K49 PolarHBondContact O-N 3.17Å; S46-K49 WeakPolarHBondContact O-CE 3.11Å; S46-K49 PolarHBondContact O-NZ 2.75Å; K49-K98 WeakPolarHBondContact O-CB 3.03Å; K49-L215 HydrophobicContact CB-CD1 3.67Å; K49-L215 HydrophobicContact CB-CD2 4.01Å; K49-L215 WeakPolarHBondContact O-CD2 3.29Å
50G96.9Very high95.1Very high0 Ų035.2 Ų35.20%021%0.206CC..EExtended strand (participates in β ladder)trans-143.5162.3175.300000111.7G13 V48G13-G50 PolarHBondContact N-O 3.38Å; V48-G50 WeakPolarHBondContact CG1-O 3.39Å
51I98.2Very high95.1Very high0 Ų033.5 Ų33.50%020%0.197CC..EExtended strand (participates in β ladder)trans-124.9137.3-175.1-56.9177.4000110.2G13 I15 L39 L42 V48 P99 V100 V101G13-I51 CarbonylContact O-C 3.58Å; G13-I51 VanDerWaalsContact O-CA 3.22Å; G13-I51 WeakPolarHBondContact O-CA 3.37Å; I15-I51 HydrophobicContact CD1-CG2 4.05Å; I15-I51 HydrophobicContact CG1-CG2 4.21Å; L39-I51 HydrophobicContact CD1-CD1 3.87Å; L42-I51 HydrophobicContact CB-CD1 4.01Å; L42-I51 HydrophobicContact CB-CG1 4.35Å; L42-I51 HydrophobicContact CD1-CG2 4.3Å; V48-I51 HydrophobicContact CG1-CG1 4.2Å; I51-P99 PolarHBondContact N-O 3.21Å; I51-V100 HydrophobicContact CB-CG1 4.23Å; I51-V100 HydrophobicContact CB-CG2 4.26Å; I51-V100 HydrophobicContact CG2-CG1 4.18Å; I51-V100 CarbonylContact O-C 3.47Å; I51-V100 VanDerWaalsContact O-CA 3.3Å; I51-V100 WeakPolarHBondContact O-CA 3.29Å; I51-V101 PolarHBondContact O-N 3.37Å
52L98Very high95.2Very high0 Ų030.9 Ų30.90%018%0.175CC..EExtended strand (participates in β ladder)trans-117.5128.7172.9173.260.3000109.8V12 G13 I14 I15 L54 V101 E204 S207 V208 V211V12-L52 HydrophobicContact CG1-CB 4.26Å; G13-L52 PolarHBondContact O-N 2.83Å; I14-L52 CarbonylContact C-O 3.53Å; I14-L52 WeakPolarHBondContact CA-O 3.16Å; I14-L52 HydrophobicContact CG1-CB 4.29Å; I14-L52 HydrophobicContact CG1-CD2 4.43Å; I15-L52 PolarHBondContact N-O 2.85Å; L52-L54 HydrophobicContact CD2-CD2 3.7Å; L52-L54 HydrophobicContact CG-CD2 3.75Å; L52-V101 CarbonylContact C-O 3.54Å; L52-V101 WeakPolarHBondContact CA-O 3.37Å; L52-V101 HydrophobicContact CD1-CB 4.16Å; L52-V101 HydrophobicContact CD1-CG1 4.08Å; L52-V101 WeakPolarHBondContact CD1-O 3.37Å; L52-E204 HydrophobicContact CD2-CG 4.43Å; L52-S207 VanDerWaalsContact CD1-CB 3.46Å; L52-V208 HydrophobicContact CD2-CG2 4.11Å; L52-V211 HydrophobicContact CB-CG2 4.38Å
53V97.9Very high95Very high1 Ų132 Ų321%0.00619%0.185CC..EExtended strand (participates in β ladder)trans-104.8123169.7-172.10000108.9I15 L17 F61 V100 V101 A102 G103 L115I15-V53 HydrophobicContact CB-CG2 4.39Å; I15-V53 HydrophobicContact CD1-CG2 4.49Å; I15-V53 WeakPolarHBondContact O-CA 3.36Å; L17-V53 HydrophobicContact CD1-CG1 4.3Å; V53-F61 HydrophobicContact CG1-CE2 4.49Å; V53-F61 HydrophobicContact CG1-CZ 4.36Å; V53-V100 HydrophobicContact CG2-CG1 4.02Å; V53-V101 PolarHBondContact N-O 3.32Å; V53-A102 WeakPolarHBondContact O-CA 3.2Å; V53-G103 PolarHBondContact O-N 3.37Å; V53-L115 HydrophobicContact CB-CD2 4.37Å; V53-L115 HydrophobicContact CG1-CD2 3.93Å
54L95.6Very high95Very high2 Ų230.2 Ų30.21%0.0118%0.176CC..EExtended strand (participates in β ladder)trans-137.8170.9175.964.9129.6000111.9I14 I15 K16 L17 L52 E204I14-L54 HydrophobicContact CG2-CD2 3.33Å; I14-L54 HydrophobicContact CG2-CG 4.41Å; I15-L54 PolarHBondContact O-N 3.46Å; K16-L54 CarbonylContact C-O 3.51Å; K16-L54 WeakPolarHBondContact CA-O 3.46Å; K16-L54 HydrophobicContact CB-CD1 4.5Å; K16-L54 HydrophobicContact CB-CG 4.35Å; K16-L54 HydrophobicContact CD-CD1 3.7Å; K16-L54 HydrophobicContact CD-CG 4.42Å; K16-L54 VanDerWaalsContact CE-CD1 3.49Å; K16-L54 HydrophobicContact CG-CD1 3.76Å; K16-L54 HydrophobicContact CG-CG 4.07Å; L17-L54 PolarHBondContact N-O 3.35Å; L52-L54 HydrophobicContact CD2-CD2 3.7Å; L52-L54 HydrophobicContact CG-CD2 3.75Å; L54-E204 HydrophobicContact CD2-CG 4.2Å
55S95.5Very high94.8Very high9 Ų924.1 Ų24.16%0.06315%0.154CC..EExtended strand (participates in β ladder)trans-101.6139.7168.51760000111.3L17 N25 K57 S60L17-S55 CarbonylContact O-C 3.6Å; L17-S55 WeakPolarHBondContact O-CA 3.46Å; L17-S55 PolarHBondContact O-OG 3.08Å; N25-S55 PolarHBondContact ND2-OG 3.43Å; S55-K57 VanDerWaalsContact C-N 3.31Å; S55-K57 PolarHBondContact OG-N 3.43Å; S55-K57 PolarHBondContact OG-O 3.17Å; S55-S60 WeakPolarHBondContact CB-O 3.42Å; S55-S60 PolarHBondContact OG-O 3.17Å
56G91.1Very high94.5Very high24 Ų2422.9 Ų22.925%0.24715%0.147CC..SBendtrans-82.6-5.1167.500000114K16 L17K16-G56 VanDerWaalsContact CE-CA 3.46Å; L17-G56 PolarHBondContact O-N 2.94Å
57K90.4Very high94.1Very high30 Ų3019.3 Ų19.313%0.1312%0.121CC..SBendtrans-97.4129.5175.1-64.2-173.2-171.9-74.60110.3N18 C19 K22 K23 N25 S55 N59N18-K57 WeakPolarHBondContact OD1-CE 3.37Å; N18-K57 WeakPolarHBondContact OD1-CG 3.49Å; N18-K57 PolarHBondContact OD1-NZ 3.26Å; C19-K57 WeakPolarHBondContact O-CE 3.37Å; C19-K57 PolarHBondContact O-NZ 3.19Å; K22-K57 WeakPolarHBondContact O-CE 3.22Å; K22-K57 PolarHBondContact O-NZ 3.28Å; K23-K57 WeakPolarHBondContact O-CD 3.26Å; N25-K57 WeakPolarHBondContact OD1-CD 3.4Å; N25-K57 WeakPolarHBondContact OD1-CE 3.4Å; S55-K57 VanDerWaalsContact C-N 3.31Å; S55-K57 PolarHBondContact OG-N 3.43Å; S55-K57 PolarHBondContact OG-O 3.17Å; K57-N59 PolarHBondContact O-N 3.43Å
58P84Confident93.6Very high39 Ų3921.3 Ų21.325%0.25313%0.128SC..THydrogen-bonded Turntrans-61.5141169.826.6-32.6000109.8S60 E196 V200P58-S60 PolarHBondContact O-N 3.48Å; P58-S60 VanDerWaalsContact O-N 3.11Å; P58-E196 HydrophobicContact CB-CB 3.4Å; P58-E196 HydrophobicContact CB-CG 4.43Å; P58-E196 HydrophobicContact CG-CB 4.11Å; P58-V200 HydrophobicContact CB-CG2 4.37Å
59N88.9Confident93.3Very high13 Ų1322.8 Ų22.87%0.0714%0.135CC..THydrogen-bonded Turntrans60.914.3176.6-54.4-59.8000117.6K57 G106 T107 K129 E196K57-N59 PolarHBondContact O-N 3.43Å; N59-G106 VanDerWaalsContact O-CA 3.24Å; N59-G106 WeakPolarHBondContact O-CA 3.31Å; N59-T107 PolarHBondContact O-N 2.55Å; N59-K129 HydrophobicContact CB-CB 4.12Å; N59-K129 HydrophobicContact CB-CD 3.67Å; N59-K129 WeakPolarHBondContact ND2-CD 3.19Å; N59-K129 PolarHBondContact ND2-NZ 3.36Å; N59-K129 VanDerWaalsContact ND2-NZ 3.11Å; N59-K129 WeakPolarHBondContact OD1-CD 3.46Å; N59-E196 PolarHBondContact ND2-OE1 2.96Å; N59-E196 PolarHBondContact ND2-OE2 2.88Å
60S94.4Very high92.9Very high0 Ų017.7 Ų17.70%011%0.113CC..EExtended strand (participates in β ladder)trans-138.797.4175.8160.80000109.1E24 N25 S55 P58 M105E24-S60 WeakPolarHBondContact CA-OG 3.46Å; E24-S60 VanDerWaalsContact OE2-CB 3.24Å; E24-S60 WeakPolarHBondContact OE2-CB 3.4Å; E24-S60 PolarHBondContact OE2-OG 2.86Å; N25-S60 PolarHBondContact N-OG 2.67Å; N25-S60 PolarHBondContact ND2-O 2.92Å; S55-S60 WeakPolarHBondContact CB-O 3.42Å; S55-S60 PolarHBondContact OG-O 3.17Å; P58-S60 PolarHBondContact O-N 3.48Å; P58-S60 VanDerWaalsContact O-N 3.11Å; S60-M105 PolarHBondContact N-O 3.09Å
61F96.7Very high92.4Very high0 Ų019.5 Ų19.50%013%0.128CC..EExtended strand (participates in β ladder)trans-70.9-74.5167.4-178.5-107.8000109.1N25 V53 A102 G103 I104 M105 T107 C108 G112 L115 A116N25-F61 VanDerWaalsContact CB-O 3.24Å; N25-F61 WeakPolarHBondContact CB-O 3.46Å; N25-F61 PolarHBondContact ND2-O 2.9Å; V53-F61 HydrophobicContact CG1-CE2 4.49Å; V53-F61 HydrophobicContact CG1-CZ 4.36Å; F61-A102 HydrophobicContact CZ-CB 4.42Å; F61-G103 WeakPolarHBondContact CD2-O 3.38Å; F61-I104 HydrophobicContact CB-CG2 3.97Å; F61-I104 HydrophobicContact CD1-CG1 4.46Å; F61-I104 HydrophobicContact CD2-CG1 4.18Å; F61-I104 HydrophobicContact CE1-CG1 4.49Å; F61-I104 HydrophobicContact CE2-CG1 4.22Å; F61-I104 HydrophobicContact CG-CG1 4.3Å; F61-I104 HydrophobicContact CG-CG2 4.14Å; F61-I104 HydrophobicContact CZ-CG1 4.37Å; F61-M105 PolarHBondContact N-O 2.87Å; F61-T107 WeakPolarHBondContact CB-O 3.3Å; F61-T107 PolarHBondContact N-O 2.86Å; F61-C108 HydrophobicContact CB-CB 4.21Å; F61-C108 HydrophobicContact CD1-CB 4.17Å; F61-C108 VanDerWaalsContact CD1-SG 3.53Å; F61-G112 WeakPolarHBondContact CE1-O 3.47Å; F61-L115 HydrophobicContact CE1-CD2 4.33Å; F61-L115 HydrophobicContact CZ-CD2 3.99Å; F61-A116 HydrophobicContact CE1-CB 4.39Å
62I97.1Very high91.8Very high3 Ų324.5 Ų24.52%0.01516%0.155CC..EExtended strand (participates in β ladder)trans-152.5124.3166.3-58.8171.3000107.4L17 N25 V27 G64 T107 C108 L109 G112 L115L17-I62 HydrophobicContact CD1-CD1 3.44Å; L17-I62 VanDerWaalsContact CD1-CD1 3.44Å; L17-I62 HydrophobicContact CD1-CG1 3.58Å; N25-I62 HydrophobicContact CB-CG1 4.34Å; N25-I62 CarbonylContact O-C 3.27Å; N25-I62 WeakPolarHBondContact O-CA 3.4Å; V27-I62 HydrophobicContact CG2-CD1 4.29Å; V27-I62 HydrophobicContact CG2-CG2 3.61Å; I62-G64 VanDerWaalsContact C-N 3.29Å; I62-G64 PolarHBondContact O-N 3.14Å; I62-T107 CarbonylContact C-O 3.58Å; I62-T107 PolarHBondContact N-O 2.88Å; I62-T107 VanDerWaalsContact O-O 3.14Å; I62-C108 WeakPolarHBondContact O-CA 3.39Å; I62-L109 PolarHBondContact O-N 3.29Å; I62-G112 VanDerWaalsContact CB-CA 3.49Å; I62-L115 HydrophobicContact CD1-CD1 4.11Å
63A94.3Very high91.4Very high33 Ų3324.7 Ų24.727%0.27316%0.156SC..  trans-84.73.4-173.500000114.7E24 N25 T107E24-A63 HydrophobicContact CB-CB 3.86Å; E24-A63 HydrophobicContact CG-CB 4.23Å; N25-A63 PolarHBondContact O-N 3.48Å; A63-T107 HydrophobicContact CB-CG2 3.85Å
64G93.7Very high90.8Very high8 Ų831.3 Ų31.38%0.08219%0.187CC..  trans129.4-171.2-179.500000112.5V26 V27 I62 L109V26-G64 CarbonylContact C-O 3.58Å; V26-G64 WeakPolarHBondContact CA-O 3.4Å; V27-G64 PolarHBondContact N-O 2.87Å; I62-G64 VanDerWaalsContact C-N 3.29Å; I62-G64 PolarHBondContact O-N 3.14Å; G64-L109 WeakPolarHBondContact CA-O 3.47Å; G64-L109 PolarHBondContact N-O 2.67Å
65A91.8Very high90.7Very high35 Ų3533.3 Ų33.329%0.28920%0.201SC..BIsolated β-bridgetrans-73.8148.1169.600000110.8T67 M69 I70A65-T67 PolarHBondContact O-N 3.29Å; A65-M69 HydrophobicContact CB-CE 4.15Å; A65-I70 HydrophobicContact CB-CD1 3.94Å
66D91.3Very high90.6Very high22 Ų2235.7 Ų35.712%0.11821%0.213CC..  trans-63.2118171-165.5-34.9000109.2K22 V26 V27 N28 N68 M69 I70K22-D66 IonicContact NZ-OD2 3.81Å; K22-D66 PolarHBondContact NZ-OD2 2.83Å; V26-D66 HydrophobicContact CB-CB 4.44Å; V26-D66 HydrophobicContact CG2-CB 4.14Å; V27-D66 PolarHBondContact O-N 3.09Å; N28-D66 HydrophobicContact CB-CB 4.06Å; D66-N68 PolarHBondContact O-N 2.83Å; D66-N68 WeakPolarHBondContact OD1-CB 3.32Å; D66-N68 PolarHBondContact OD1-N 3.44Å; D66-N68 VanDerWaalsContact OD1-N 3.12Å; D66-M69 HydrophobicContact CB-CB 4.1Å; D66-M69 WeakPolarHBondContact O-CB 3.46Å; D66-M69 PolarHBondContact O-N 3.26Å; D66-M69 VanDerWaalsContact O-N 3.13Å; D66-I70 PolarHBondContact O-N 3.47Å
67T87.7Confident90.9Very high21 Ų2140.8 Ų40.813%0.12923%0.23CC..Hα-helixtrans-64.9-29.4-17648.80000112.3A65 M69 I70 A71 L139 L303 F306A65-T67 PolarHBondContact O-N 3.29Å; T67-M69 VanDerWaalsContact C-N 3.34Å; T67-I70 PolarHBondContact O-N 3.16Å; T67-A71 WeakPolarHBondContact O-CB 3.35Å; T67-A71 PolarHBondContact O-N 2.79Å; T67-L139 HydrophobicContact CG2-CD1 4.36Å; T67-L303 HydrophobicContact CG2-CD2 3.95Å; T67-F306 HydrophobicContact CG2-CD1 3.96Å; T67-F306 HydrophobicContact CG2-CE1 3.79Å
68N88.2Confident91.1Very high92 Ų9243.7 Ų43.749%0.49224%0.244SC..Hα-helixtrans-69-34.8176.1-66.9-23.1000111.5D66 I70 A71 N72D66-N68 PolarHBondContact O-N 2.83Å; D66-N68 WeakPolarHBondContact OD1-CB 3.32Å; D66-N68 PolarHBondContact OD1-N 3.44Å; D66-N68 VanDerWaalsContact OD1-N 3.12Å; N68-I70 VanDerWaalsContact C-N 3.26Å; N68-I70 PolarHBondContact O-N 2.98Å; N68-A71 PolarHBondContact O-N 3.04Å; N68-N72 VanDerWaalsContact O-CB 3.26Å; N68-N72 WeakPolarHBondContact O-CB 3.47Å; N68-N72 PolarHBondContact O-N 3.23Å; N68-N72 PolarHBondContact O-ND2 2.92Å
69M90.4Very high91.6Very high32 Ų3241.9 Ų41.916%0.15823%0.232CC..Hα-helixtrans-61.2-38.6174.8178.4-17563.500111.2V27 N28 V29 M32 A65 D66 T67 C73 L82V27-M69 WeakPolarHBondContact O-CE 3.29Å; N28-M69 HydrophobicContact CB-SD 4.27Å; V29-M69 HydrophobicContact CG2-CG 4.47Å; V29-M69 HydrophobicContact CG2-SD 3.87Å; M32-M69 HydrophobicContact CE-SD 4.33Å; A65-M69 HydrophobicContact CB-CE 4.15Å; D66-M69 HydrophobicContact CB-CB 4.1Å; D66-M69 WeakPolarHBondContact O-CB 3.46Å; D66-M69 PolarHBondContact O-N 3.26Å; D66-M69 VanDerWaalsContact O-N 3.13Å; T67-M69 VanDerWaalsContact C-N 3.34Å; M69-C73 PolarHBondContact O-SG 3.46Å; M69-L82 HydrophobicContact CE-CD2 3.98Å; M69-L82 HydrophobicContact CG-CD1 4.37Å; M69-L82 HydrophobicContact CG-CD2 3.86Å; M69-L82 HydrophobicContact SD-CD1 3.79Å; M69-L82 HydrophobicContact SD-CD2 3.96Å; M69-L82 HydrophobicContact SD-CG 4.39Å
70I88.3Confident92.1Very high7 Ų742.4 Ų42.44%0.03624%0.236CC..Hα-helixtrans-77-45.1179.3-52.7177.1000110.7A65 D66 T67 N68 N72 C73 L141 F290 A294 L303A65-I70 HydrophobicContact CB-CD1 3.94Å; D66-I70 PolarHBondContact O-N 3.47Å; T67-I70 PolarHBondContact O-N 3.16Å; N68-I70 VanDerWaalsContact C-N 3.26Å; N68-I70 PolarHBondContact O-N 2.98Å; I70-N72 PolarHBondContact O-N 2.85Å; I70-C73 WeakPolarHBondContact O-CB 3.43Å; I70-C73 PolarHBondContact O-N 3.34Å; I70-C73 VanDerWaalsContact O-N 3.14Å; I70-L141 HydrophobicContact CD1-CD1 3.74Å; I70-L141 HydrophobicContact CG2-CD1 3.95Å; I70-L141 HydrophobicContact CG2-CD2 4.38Å; I70-F290 HydrophobicContact CD1-CZ 4.36Å; I70-F290 HydrophobicContact CG1-CZ 4.46Å; I70-F290 HydrophobicContact CG2-CZ 4.47Å; I70-A294 HydrophobicContact CG2-CB 4.11Å; I70-L303 HydrophobicContact CG2-CD1 4.35Å
71A85.9Confident92.1Very high39 Ų3945 Ų4532%0.32226%0.257SS..Hα-helixtrans-60.8-30.1-18000000112.7T67 N68 C73T67-A71 WeakPolarHBondContact O-CB 3.35Å; T67-A71 PolarHBondContact O-N 2.79Å; N68-A71 PolarHBondContact O-N 3.04Å; A71-C73 VanDerWaalsContact C-N 3.35Å
72N87.4Confident92.1Very high105 Ų10546.1 Ų46.156%0.56126%0.263SS*.THydrogen-bonded Turntrans-79.2-12.4179.8-71.2-12.8000114.1N68 I70 Q74N68-N72 VanDerWaalsContact O-CB 3.26Å; N68-N72 WeakPolarHBondContact O-CB 3.47Å; N68-N72 PolarHBondContact O-N 3.23Å; N68-N72 PolarHBondContact O-ND2 2.92Å; I70-N72 PolarHBondContact O-N 2.85Å; N72-Q74 WeakPolarHBondContact O-CG 3.25Å; N72-Q74 PolarHBondContact O-N 3.01Å; N72-Q74 PolarHBondContact O-NE2 3.06Å
73C88.7Confident92.1Very high4 Ų446.1 Ų46.13%0.02726%0.264CS..  trans-64.6119.4176.7-68.60000110.5M69 I70 A71 E78 A79M69-C73 PolarHBondContact O-SG 3.46Å; I70-C73 WeakPolarHBondContact O-CB 3.43Å; I70-C73 PolarHBondContact O-N 3.34Å; I70-C73 VanDerWaalsContact O-N 3.14Å; A71-C73 VanDerWaalsContact C-N 3.35Å; C73-E78 WeakPolarHBondContact CA-OE2 3.35Å; C73-A79 HydrophobicContact CB-CB 3.95Å
74Q85.6Confident92.2Very high140 Ų14048.5 Ų48.565%0.65427%0.271SS*.  trans-95.6-17.2-176.2-60.3-55.9-49.200113.1N72 E78N72-Q74 WeakPolarHBondContact O-CG 3.25Å; N72-Q74 PolarHBondContact O-N 3.01Å; N72-Q74 PolarHBondContact O-NE2 3.06Å; Q74-E78 PolarHBondContact N-OE2 2.98Å
75S93.2Very high92.2Very high43 Ų4353.4 Ų53.430%0.30129%0.29SS..SBendtrans-135.7156.6-176.665.60000112.7E77 E78 A79S75-E77 PolarHBondContact O-N 3.25Å; S75-E78 PolarHBondContact O-N 3.05Å; S75-E78 WeakPolarHBondContact OG-CB 3.43Å; S75-E78 PolarHBondContact OG-N 3.5Å; S75-E78 VanDerWaalsContact OG-N 3.15Å; S75-A79 PolarHBondContact O-N 3.33Å; S75-A79 VanDerWaalsContact O-N 3.13Å
76L93.8Very high92.4Very high60 Ų6052.7 Ų52.731%0.31428%0.281SS..Hα-helixtrans-60.6-40.2175178.4155.5000110.2T80 I292L76-T80 WeakPolarHBondContact O-CB 3.43Å; L76-T80 PolarHBondContact O-N 3.18Å; L76-T80 PolarHBondContact O-OG1 2.98Å; L76-I292 HydrophobicContact CD1-CG1 3.67Å
77E96.6Very high92.7Very high131 Ų13152 Ų5261%0.61228%0.277SS*.Hα-helixtrans-62.5-47.1-179.7-66.470.6-154.900110.9S75 T80 A81S75-E77 PolarHBondContact O-N 3.25Å; E77-T80 PolarHBondContact O-N 3Å; E77-A81 VanDerWaalsContact O-CB 3.25Å; E77-A81 WeakPolarHBondContact O-CB 3.46Å; E77-A81 PolarHBondContact O-N 3.21Å
78E95.3Very high93.1Very high91 Ų9152.5 Ų52.543%0.42529%0.287SS..Hα-helixtrans-61.3-50.2178.1-176.3-174.4-175.300111.5C73 Q74 S75 T80 A81 L82C73-E78 WeakPolarHBondContact CA-OE2 3.35Å; Q74-E78 PolarHBondContact N-OE2 2.98Å; S75-E78 PolarHBondContact O-N 3.05Å; S75-E78 WeakPolarHBondContact OG-CB 3.43Å; S75-E78 PolarHBondContact OG-N 3.5Å; S75-E78 VanDerWaalsContact OG-N 3.15Å; E78-T80 VanDerWaalsContact C-N 3.35Å; E78-T80 PolarHBondContact O-N 3.43Å; E78-A81 PolarHBondContact O-N 3.48Å; E78-L82 WeakPolarHBondContact O-CB 3.46Å; E78-L82 PolarHBondContact O-N 3.17Å
79A95.1Very high93.4Very high0 Ų048.7 Ų48.70%027%0.266CS..Hα-helixtrans-65.2-37.7179.500000112.4C73 S75 L82 S83 F290 A294C73-A79 HydrophobicContact CB-CB 3.95Å; S75-A79 PolarHBondContact O-N 3.33Å; S75-A79 VanDerWaalsContact O-N 3.13Å; A79-L82 WeakPolarHBondContact O-CB 3.34Å; A79-L82 PolarHBondContact O-N 2.93Å; A79-S83 PolarHBondContact O-N 3.49Å; A79-S83 VanDerWaalsContact O-N 3.17Å; A79-F290 WeakPolarHBondContact O-CD1 3.49Å; A79-A294 HydrophobicContact CB-CB 3.68Å
80T97.8Very high93.7Very high24 Ų2447.2 Ų47.215%0.14726%0.259CS..Hα-helixtrans-64.6-45174-59.70000110.9L76 E77 E78 L82 S83 L84 A287L76-T80 WeakPolarHBondContact O-CB 3.43Å; L76-T80 PolarHBondContact O-N 3.18Å; L76-T80 PolarHBondContact O-OG1 2.98Å; E77-T80 PolarHBondContact O-N 3Å; E78-T80 VanDerWaalsContact C-N 3.35Å; E78-T80 PolarHBondContact O-N 3.43Å; T80-L82 VanDerWaalsContact C-N 3.28Å; T80-L82 PolarHBondContact O-N 2.97Å; T80-S83 PolarHBondContact O-N 2.93Å; T80-L84 HydrophobicContact CG2-CD1 4.09Å; T80-L84 HydrophobicContact CG2-CG 4.41Å; T80-L84 WeakPolarHBondContact O-CG 3.5Å; T80-L84 PolarHBondContact O-N 2.86Å; T80-A287 HydrophobicContact CG2-CB 4.23Å
81A95.9Very high94.1Very high54 Ų5449.8 Ų49.845%0.44627%0.273SS..Hα-helixtrans-62.9-36.4178.200000111.9E77 E78 L84 K85E77-A81 VanDerWaalsContact O-CB 3.25Å; E77-A81 WeakPolarHBondContact O-CB 3.46Å; E77-A81 PolarHBondContact O-N 3.21Å; E78-A81 PolarHBondContact O-N 3.48Å; A81-L84 PolarHBondContact O-N 3.21Å; A81-K85 WeakPolarHBondContact O-CB 3.48Å; A81-K85 PolarHBondContact O-N 3.46Å
82L95Very high94.5Very high24 Ų2454.1 Ų54.113%0.12628%0.281CS..Hα-helixtrans-60.7-48.8174.3-175.467.2000111.6V29 M32 M69 E78 A79 T80 K85 F86V29-L82 HydrophobicContact CG2-CD1 3.87Å; M32-L82 HydrophobicContact CE-CD1 3.7Å; M69-L82 HydrophobicContact CE-CD2 3.98Å; M69-L82 HydrophobicContact CG-CD1 4.37Å; M69-L82 HydrophobicContact CG-CD2 3.86Å; M69-L82 HydrophobicContact SD-CD1 3.79Å; M69-L82 HydrophobicContact SD-CD2 3.96Å; M69-L82 HydrophobicContact SD-CG 4.39Å; E78-L82 WeakPolarHBondContact O-CB 3.46Å; E78-L82 PolarHBondContact O-N 3.17Å; A79-L82 WeakPolarHBondContact O-CB 3.34Å; A79-L82 PolarHBondContact O-N 2.93Å; T80-L82 VanDerWaalsContact C-N 3.28Å; T80-L82 PolarHBondContact O-N 2.97Å; L82-K85 PolarHBondContact O-N 3.46Å; L82-F86 PolarHBondContact O-N 2.99Å; L82-F86 VanDerWaalsContact O-N 3.11Å
83S97Very high94.9Very high4 Ų449.2 Ų49.23%0.02825%0.254CS..Hα-helixtrans-61.2-47.7175.31680000111.9A79 T80 K85 F86 Q87 G144 A287A79-S83 PolarHBondContact O-N 3.49Å; A79-S83 VanDerWaalsContact O-N 3.17Å; T80-S83 PolarHBondContact O-N 2.93Å; S83-K85 VanDerWaalsContact C-N 3.31Å; S83-K85 PolarHBondContact O-N 3.31Å; S83-F86 PolarHBondContact O-N 2.96Å; S83-F86 VanDerWaalsContact O-N 3.15Å; S83-Q87 WeakPolarHBondContact O-CG 3.01Å; S83-Q87 PolarHBondContact O-N 2.69Å; S83-G144 WeakPolarHBondContact CB-O 3.25Å; S83-G144 PolarHBondContact OG-O 2.82Å; S83-A287 VanDerWaalsContact OG-CA 3.23Å; S83-A287 WeakPolarHBondContact OG-CA 3.44Å; S83-A287 VanDerWaalsContact OG-CB 3.3Å; S83-A287 WeakPolarHBondContact OG-CB 3.49Å
84L96.8Very high95.1Very high82 Ų8252 Ų5243%0.42927%0.266SS..Hα-helixtrans-59.2-40.8177.7-73.2173.4000112.5T80 A81 Q87 G88 A287T80-L84 HydrophobicContact CG2-CD1 4.09Å; T80-L84 HydrophobicContact CG2-CG 4.41Å; T80-L84 WeakPolarHBondContact O-CG 3.5Å; T80-L84 PolarHBondContact O-N 2.86Å; A81-L84 PolarHBondContact O-N 3.21Å; L84-Q87 PolarHBondContact O-N 3.38Å; L84-G88 PolarHBondContact O-N 3.19Å; L84-A287 HydrophobicContact CD2-CB 3.63Å; L84-A287 HydrophobicContact CG-CB 3.75Å
85K94.5Very high95.5Very high111 Ų11148.8 Ų48.848%0.48326%0.264SS..Hα-helixtrans-61.3-46.1176.2-178.9177.6-76.1-179.60110.7A81 L82 S83 G88 I89A81-K85 WeakPolarHBondContact O-CB 3.48Å; A81-K85 PolarHBondContact O-N 3.46Å; L82-K85 PolarHBondContact O-N 3.46Å; S83-K85 VanDerWaalsContact C-N 3.31Å; S83-K85 PolarHBondContact O-N 3.31Å; K85-G88 PolarHBondContact O-N 2.96Å; K85-I89 WeakPolarHBondContact O-CG1 3.36Å; K85-I89 PolarHBondContact O-N 2.82Å
86F96.3Very high95.5Very high20 Ų2047.5 Ų47.59%0.08825%0.254CS..Hα-helixtrans-65-46.4178.5-170.5-140.6000111.9V27 M32 L82 S83 G88 I89 L90 G111 E114V27-F86 HydrophobicContact CG1-CD2 4.34Å; V27-F86 HydrophobicContact CG1-CE2 4.02Å; V27-F86 HydrophobicContact CG1-CZ 4.24Å; V27-F86 HydrophobicContact CG2-CZ 4.34Å; M32-F86 HydrophobicContact CG-CD2 3.91Å; M32-F86 HydrophobicContact CG-CE2 4.44Å; M32-F86 HydrophobicContact SD-CB 3.55Å; M32-F86 VanDerWaalsContact SD-CB 3.55Å; M32-F86 HydrophobicContact SD-CD2 3.52Å; M32-F86 VanDerWaalsContact SD-CD2 3.52Å; M32-F86 HydrophobicContact SD-CG 3.79Å; L82-F86 PolarHBondContact O-N 2.99Å; L82-F86 VanDerWaalsContact O-N 3.11Å; S83-F86 PolarHBondContact O-N 2.96Å; S83-F86 VanDerWaalsContact O-N 3.15Å; F86-G88 VanDerWaalsContact C-N 3.26Å; F86-G88 PolarHBondContact O-N 3.28Å; F86-I89 PolarHBondContact O-N 2.81Å; F86-I89 VanDerWaalsContact O-N 3.14Å; F86-L90 HydrophobicContact CD1-CD1 4.24Å; F86-L90 HydrophobicContact CD2-CD1 4.41Å; F86-L90 HydrophobicContact CD2-CG 4.22Å; F86-L90 HydrophobicContact CE1-CD1 3.77Å; F86-L90 HydrophobicContact CE2-CD1 3.96Å; F86-L90 HydrophobicContact CE2-CD2 3.96Å; F86-L90 HydrophobicContact CE2-CG 3.93Å; F86-L90 HydrophobicContact CZ-CD1 3.61Å; F86-L90 HydrophobicContact CZ-CD2 4.24Å; F86-L90 HydrophobicContact CZ-CG 4.11Å; F86-L90 WeakPolarHBondContact O-CG 3.36Å; F86-L90 PolarHBondContact O-N 2.93Å; F86-G111 WeakPolarHBondContact CZ-O 3.35Å; F86-E114 HydrophobicContact CE1-CB 4.21Å
87Q97.3Very high95.3Very high8 Ų853.5 Ų53.54%0.03728%0.283CS..Hα-helixtrans-55.7-40.4173.5-72179.51.200112.1S83 L84 I89 L90 N91 L283 E286S83-Q87 WeakPolarHBondContact O-CG 3.01Å; S83-Q87 PolarHBondContact O-N 2.69Å; L84-Q87 PolarHBondContact O-N 3.38Å; Q87-I89 VanDerWaalsContact C-N 3.34Å; Q87-I89 PolarHBondContact O-N 2.66Å; Q87-L90 PolarHBondContact O-N 2.89Å; Q87-N91 VanDerWaalsContact O-CB 3.28Å; Q87-N91 WeakPolarHBondContact O-CB 3.36Å; Q87-N91 PolarHBondContact O-N 3.45Å; Q87-N91 PolarHBondContact O-ND2 3.22Å; Q87-L283 HydrophobicContact CG-CD2 4.42Å; Q87-L283 PolarHBondContact NE2-O 3.07Å; Q87-L283 PolarHBondContact OE1-O 3.24Å; Q87-E286 PolarHBondContact NE2-OE1 3.05Å
88G95.6Very high95.2Very high32 Ų3248.7 Ų48.733%0.3326%0.26SS..Hα-helixtrans-60.4-40.6177.600000113.1L84 K85 F86 R92L84-G88 PolarHBondContact O-N 3.19Å; K85-G88 PolarHBondContact O-N 2.96Å; F86-G88 VanDerWaalsContact C-N 3.26Å; F86-G88 PolarHBondContact O-N 3.28Å; G88-R92 WeakPolarHBondContact O-CG 3.49Å; G88-R92 PolarHBondContact O-N 3.21Å
89I94.8Very high95.1Very high12 Ų1245.3 Ų45.36%0.06225%0.246CC..Hα-helixtrans-66.8-48.1175.4-62.4164.3000110.1M32 V35 F36 K85 F86 Q87 N91 R92 I93M32-I89 HydrophobicContact CB-CD1 3.58Å; M32-I89 HydrophobicContact CG-CD1 4.12Å; M32-I89 WeakPolarHBondContact O-CD1 3.49Å; M32-I89 HydrophobicContact SD-CD1 4.41Å; V35-I89 HydrophobicContact CG1-CG2 4.44Å; F36-I89 HydrophobicContact CB-CD1 4.28Å; F36-I89 HydrophobicContact CB-CG1 4.13Å; F36-I89 HydrophobicContact CB-CG2 4.43Å; F36-I89 HydrophobicContact CD2-CG1 4.11Å; F36-I89 HydrophobicContact CG-CG1 4.45Å; K85-I89 WeakPolarHBondContact O-CG1 3.36Å; K85-I89 PolarHBondContact O-N 2.82Å; F86-I89 PolarHBondContact O-N 2.81Å; F86-I89 VanDerWaalsContact O-N 3.14Å; Q87-I89 VanDerWaalsContact C-N 3.34Å; Q87-I89 PolarHBondContact O-N 2.66Å; I89-N91 VanDerWaalsContact C-N 3.31Å; I89-N91 PolarHBondContact O-N 2.96Å; I89-R92 WeakPolarHBondContact O-CB 3.33Å; I89-R92 PolarHBondContact O-N 2.79Å; I89-I93 PolarHBondContact O-N 3.49Å; I89-I93 VanDerWaalsContact O-N 3.1Å
90L96.6Very high95.1Very high0 Ų045.3 Ų45.30%025%0.246CC..Hα-helixtrans-65.9-33.5-179.5-63.6-168.6000112.6F86 Q87 R92 I93 H94 E114 L115 A118 G145F86-L90 HydrophobicContact CD1-CD1 4.24Å; F86-L90 HydrophobicContact CD2-CD1 4.41Å; F86-L90 HydrophobicContact CD2-CG 4.22Å; F86-L90 HydrophobicContact CE1-CD1 3.77Å; F86-L90 HydrophobicContact CE2-CD1 3.96Å; F86-L90 HydrophobicContact CE2-CD2 3.96Å; F86-L90 HydrophobicContact CE2-CG 3.93Å; F86-L90 HydrophobicContact CZ-CD1 3.61Å; F86-L90 HydrophobicContact CZ-CD2 4.24Å; F86-L90 HydrophobicContact CZ-CG 4.11Å; F86-L90 WeakPolarHBondContact O-CG 3.36Å; F86-L90 PolarHBondContact O-N 2.93Å; Q87-L90 PolarHBondContact O-N 2.89Å; L90-R92 VanDerWaalsContact C-N 3.28Å; L90-R92 PolarHBondContact O-N 3.47Å; L90-I93 HydrophobicContact CD2-CD1 3.94Å; L90-I93 PolarHBondContact O-N 3.25Å; L90-H94 WeakPolarHBondContact O-CB 3.19Å; L90-H94 PolarHBondContact O-N 2.81Å; L90-E114 HydrophobicContact CD1-CB 3.82Å; L90-L115 HydrophobicContact CD2-CB 3.99Å; L90-L115 HydrophobicContact CD2-CG 4.05Å; L90-A118 HydrophobicContact CB-CB 3.94Å; L90-A118 HydrophobicContact CD2-CB 4.17Å; L90-A118 WeakPolarHBondContact O-CB 3.22Å; L90-G145 VanDerWaalsContact CD1-O 3.24Å; L90-G145 WeakPolarHBondContact CD1-O 3.4Å
91N95.9Very high95.1Very high62 Ų6244.2 Ų44.233%0.33224%0.239SC..Hα-helixtrans-64.4-33.2172.6-75.6-22.7000112.1Q87 I89 H94 A95 R150Q87-N91 VanDerWaalsContact O-CB 3.28Å; Q87-N91 WeakPolarHBondContact O-CB 3.36Å; Q87-N91 PolarHBondContact O-N 3.45Å; Q87-N91 PolarHBondContact O-ND2 3.22Å; I89-N91 VanDerWaalsContact C-N 3.31Å; I89-N91 PolarHBondContact O-N 2.96Å; N91-H94 PolarHBondContact O-N 3.02Å; N91-A95 WeakPolarHBondContact O-CB 3.34Å; N91-A95 PolarHBondContact O-N 3.02Å; N91-R150 PolarHBondContact OD1-NH2 3.25Å
92R95Very high95.2Very high130 Ų13041.6 Ų41.649%0.49122%0.218SC..Hα-helixtrans-73.4-34.4174.5-72.7175.8178.3-122.92.5113.1F36 L39 G88 I89 L90 H94 N96F36-R92 VanDerWaalsContact CE2-CD 3.48Å; L39-R92 HydrophobicContact CD2-CB 4.18Å; G88-R92 WeakPolarHBondContact O-CG 3.49Å; G88-R92 PolarHBondContact O-N 3.21Å; I89-R92 WeakPolarHBondContact O-CB 3.33Å; I89-R92 PolarHBondContact O-N 2.79Å; L90-R92 VanDerWaalsContact C-N 3.28Å; L90-R92 PolarHBondContact O-N 3.47Å; R92-H94 VanDerWaalsContact C-N 3.35Å; R92-N96 WeakPolarHBondContact O-CB 3.27Å; R92-N96 PolarHBondContact O-N 3.19Å; R92-N96 VanDerWaalsContact O-N 3.13Å
93I95.3Very high95.3Very high1 Ų140.5 Ų40.51%0.00521%0.212CC..Hα-helixtrans-60.9-49.9169.2-65.8176.6000109L39 I89 L90 A95 N96 V100 L115 A118L39-I93 HydrophobicContact CD1-CG1 4.24Å; L39-I93 HydrophobicContact CD2-CG1 3.5Å; I89-I93 PolarHBondContact O-N 3.49Å; I89-I93 VanDerWaalsContact O-N 3.1Å; L90-I93 HydrophobicContact CD2-CD1 3.94Å; L90-I93 PolarHBondContact O-N 3.25Å; I93-A95 PolarHBondContact O-N 2.95Å; I93-N96 VanDerWaalsContact O-CB 3.28Å; I93-N96 WeakPolarHBondContact O-CB 3.16Å; I93-N96 PolarHBondContact O-N 3.37Å; I93-V100 HydrophobicContact CG2-CB 4.08Å; I93-V100 HydrophobicContact CG2-CG1 3.95Å; I93-V100 HydrophobicContact CG2-CG2 4.25Å; I93-L115 HydrophobicContact CD1-CG 4.18Å; I93-A118 HydrophobicContact CB-CB 4.07Å; I93-A118 HydrophobicContact CG2-CB 3.95Å
94H93.4Very high95.4Very high62 Ų6240.3 Ų40.329%0.28721%0.21SC..Hα-helixtrans-65.4-38.9-178.1-174.774.1000113.5L90 N91 R92 N96 A118 R223L90-H94 WeakPolarHBondContact O-CB 3.19Å; L90-H94 PolarHBondContact O-N 2.81Å; N91-H94 PolarHBondContact O-N 3.02Å; R92-H94 VanDerWaalsContact C-N 3.35Å; H94-N96 VanDerWaalsContact C-N 3.26Å; H94-N96 PolarHBondContact O-N 3.15Å; H94-A118 WeakPolarHBondContact CA-O 3.27Å; H94-R223 PolarHBondContact O-NH1 2.98Å; H94-R223 PolarHBondContact O-NH2 3.21Å
95A93.3Very high95.3Very high74 Ų7436.9 Ų36.961%0.61219%0.192SC*.THydrogen-bonded Turntrans-86.86.2179.400000113N91 I93 M97N91-A95 WeakPolarHBondContact O-CB 3.34Å; N91-A95 PolarHBondContact O-N 3.02Å; I93-A95 PolarHBondContact O-N 2.95Å; A95-M97 PolarHBondContact O-N 3.03Å
96N94.1Very high95.3Very high16 Ų1631.6 Ų31.69%0.08617%0.169CC..  trans-64.3135.6-178.5-153.1-57.5000110.4T43 R92 I93 H94 K98 V100T43-N96 PolarHBondContact OG1-ND2 3.29Å; R92-N96 WeakPolarHBondContact O-CB 3.27Å; R92-N96 PolarHBondContact O-N 3.19Å; R92-N96 VanDerWaalsContact O-N 3.13Å; I93-N96 VanDerWaalsContact O-CB 3.28Å; I93-N96 WeakPolarHBondContact O-CB 3.16Å; I93-N96 PolarHBondContact O-N 3.37Å; H94-N96 VanDerWaalsContact C-N 3.26Å; H94-N96 PolarHBondContact O-N 3.15Å; N96-K98 WeakPolarHBondContact OD1-CB 3.22Å; N96-K98 PolarHBondContact OD1-N 3.05Å; N96-K98 PolarHBondContact OD1-O 2.76Å; N96-V100 HydrophobicContact CB-CG2 3.9Å
97M90.3Very high95.3Very high185 Ų18531.8 Ų31.891%0.91117%0.172SC*.SBendtrans-72.2-22.7175.5-69.8-65.1-69.600112.1A95A95-M97 PolarHBondContact O-N 3.03Å
98K93.8Very high95.4Very high30 Ų3031.4 Ų31.413%0.1317%0.17CC..SBendtrans-92.3136.5174.3-56.6-176.6-170.7-1770108.7L42 T43 D45 V48 K49 N96 V100L42-K98 PolarHBondContact O-NZ 3.08Å; T43-K98 WeakPolarHBondContact O-CE 3.48Å; T43-K98 PolarHBondContact O-NZ 3.35Å; D45-K98 PolarHBondContact O-NZ 3.12Å; V48-K98 HydrophobicContact CG1-CD 4.2Å; V48-K98 WeakPolarHBondContact O-CD 3.38Å; V48-K98 WeakPolarHBondContact O-CE 3.36Å; V48-K98 PolarHBondContact O-NZ 2.83Å; K49-K98 WeakPolarHBondContact O-CB 3.03Å; N96-K98 WeakPolarHBondContact OD1-CB 3.22Å; N96-K98 PolarHBondContact OD1-N 3.05Å; N96-K98 PolarHBondContact OD1-O 2.76Å; K98-V100 PolarHBondContact O-N 3.08Å
99P93.7Very high95.5Very high21 Ų2131 Ų3114%0.13616%0.16CC..  trans-60.1132.5176.725-33.8000110.5I51 D120 L214 L215I51-P99 PolarHBondContact N-O 3.21Å; P99-D120 WeakPolarHBondContact CA-OD2 3.39Å; P99-L214 HydrophobicContact CB-CB 4.22Å; P99-L214 HydrophobicContact CB-CD1 4.25Å; P99-L214 HydrophobicContact CG-CB 4.38Å; P99-L215 HydrophobicContact CG-CD2 3.61Å; P99-L215 HydrophobicContact CG-CG 4.27Å
100V95.9Very high95.6Very high0 Ų030.4 Ų30.40%016%0.158CC..EExtended strand (participates in β ladder)trans-112.9119.8176.5-1680000110I51 V53 I93 N96 K98 C119 D120I51-V100 HydrophobicContact CB-CG1 4.23Å; I51-V100 HydrophobicContact CB-CG2 4.26Å; I51-V100 HydrophobicContact CG2-CG1 4.18Å; I51-V100 CarbonylContact O-C 3.47Å; I51-V100 VanDerWaalsContact O-CA 3.3Å; I51-V100 WeakPolarHBondContact O-CA 3.29Å; V53-V100 HydrophobicContact CG2-CG1 4.02Å; I93-V100 HydrophobicContact CG2-CB 4.08Å; I93-V100 HydrophobicContact CG2-CG1 3.95Å; I93-V100 HydrophobicContact CG2-CG2 4.25Å; N96-V100 HydrophobicContact CB-CG2 3.9Å; K98-V100 PolarHBondContact O-N 3.08Å; V100-C119 CarbonylContact O-C 3.56Å; V100-C119 VanDerWaalsContact O-CB 3.31Å; V100-C119 WeakPolarHBondContact O-CB 3.35Å; V100-D120 PolarHBondContact N-OD2 3.1Å; V100-D120 WeakPolarHBondContact O-CB 3.2Å; V100-D120 PolarHBondContact O-N 3.41Å
101V96.8Very high95.6Very high0 Ų030.5 Ų30.50%016%0.159CC..EExtended strand (participates in β ladder)trans-107.9139.7-179.4178.70000110.2I51 L52 V53 Y121 I123 V211 L214I51-V101 PolarHBondContact O-N 3.37Å; L52-V101 CarbonylContact C-O 3.54Å; L52-V101 WeakPolarHBondContact CA-O 3.37Å; L52-V101 HydrophobicContact CD1-CB 4.16Å; L52-V101 HydrophobicContact CD1-CG1 4.08Å; L52-V101 WeakPolarHBondContact CD1-O 3.37Å; V53-V101 PolarHBondContact N-O 3.32Å; V101-Y121 CarbonylContact C-O 3.45Å; V101-Y121 WeakPolarHBondContact CA-O 3.35Å; V101-I123 HydrophobicContact CG1-CD1 3.65Å; V101-I123 HydrophobicContact CG1-CG1 4.1Å; V101-V211 HydrophobicContact CB-CG2 3.84Å; V101-V211 HydrophobicContact CG2-CG2 3.53Å; V101-L214 HydrophobicContact CG2-CD1 3.53Å
102A98Very high95.6Very high0 Ų027.6 Ų27.60%014%0.143CC..EExtended strand (participates in β ladder)trans-101.5117.8170.500000110.4V53 F61 I104 A116 C119 Y121 R122 I123V53-A102 WeakPolarHBondContact O-CA 3.2Å; F61-A102 HydrophobicContact CZ-CB 4.42Å; A102-I104 HydrophobicContact CB-CD1 4.15Å; A102-I104 HydrophobicContact CB-CG1 4.14Å; A102-A116 HydrophobicContact CB-CB 4.21Å; A102-C119 HydrophobicContact CB-CB 4.12Å; A102-Y121 PolarHBondContact N-O 3.35Å; A102-R122 HydrophobicContact CB-CG 4.23Å; A102-R122 WeakPolarHBondContact O-CA 3.4Å; A102-I123 PolarHBondContact O-N 3.06Å
103G97.5Very high95.8Very high0 Ų021.4 Ų21.40%012%0.12CC..EExtended strand (participates in β ladder)trans-94.8113.4169.900000110.5V53 F61V53-G103 PolarHBondContact O-N 3.37Å; F61-G103 WeakPolarHBondContact CD2-O 3.38Å
104I97.8Very high95.9Very high0 Ų021.6 Ų21.60%012%0.121CC..EExtended strand (participates in β ladder)trans-118.4120.5-165.4-55.2170.3000110.5F61 A102 C108 A116 R122 I123 A124 V125 T130 F132F61-I104 HydrophobicContact CB-CG2 3.97Å; F61-I104 HydrophobicContact CD1-CG1 4.46Å; F61-I104 HydrophobicContact CD2-CG1 4.18Å; F61-I104 HydrophobicContact CE1-CG1 4.49Å; F61-I104 HydrophobicContact CE2-CG1 4.22Å; F61-I104 HydrophobicContact CG-CG1 4.3Å; F61-I104 HydrophobicContact CG-CG2 4.14Å; F61-I104 HydrophobicContact CZ-CG1 4.37Å; A102-I104 HydrophobicContact CB-CD1 4.15Å; A102-I104 HydrophobicContact CB-CG1 4.14Å; I104-C108 HydrophobicContact CG2-CB 3.7Å; I104-A116 HydrophobicContact CD1-CB 3.77Å; I104-R122 HydrophobicContact CD1-CB 4.26Å; I104-R122 HydrophobicContact CD1-CG 4.26Å; I104-I123 WeakPolarHBondContact CB-O 3.18Å; I104-I123 PolarHBondContact N-O 3.27Å; I104-A124 CarbonylContact O-C 3.56Å; I104-A124 VanDerWaalsContact O-CA 3.29Å; I104-A124 WeakPolarHBondContact O-CA 3.32Å; I104-V125 PolarHBondContact O-N 3.44Å; I104-T130 HydrophobicContact CG2-CG2 4.45Å; I104-F132 HydrophobicContact CB-CE1 4.36Å; I104-F132 HydrophobicContact CD1-CE1 3.83Å; I104-F132 HydrophobicContact CG2-CE1 3.73Å; I104-F132 HydrophobicContact CG2-CZ 4.06Å
105M94.9Very high96.1Very high10 Ų1019 Ų195%0.04911%0.109CC..  trans-132.3125.7167.4-178.9-178.3175.300108.2S60 F61 V125 T127 E196 M199 V200 L203S60-M105 PolarHBondContact N-O 3.09Å; F61-M105 PolarHBondContact N-O 2.87Å; M105-V125 HydrophobicContact CB-CB 4.26Å; M105-V125 HydrophobicContact CB-CG2 4.01Å; M105-V125 HydrophobicContact CG-CB 4.16Å; M105-V125 HydrophobicContact CG-CG2 4.26Å; M105-T127 HydrophobicContact CE-CG2 4.31Å; M105-E196 HydrophobicContact CE-CB 4.33Å; M105-M199 HydrophobicContact CE-CB 3.92Å; M105-M199 HydrophobicContact SD-CB 4.03Å; M105-V200 HydrophobicContact SD-CG2 3.86Å; M105-L203 HydrophobicContact CB-CD2 3.86Å
106G94.8Very high96.3Very high0 Ų015.4 Ų15.40%08%0.08CC..SBendtrans86.7-152.817900000116.2N59 C108 K129 T130 I131N59-G106 VanDerWaalsContact O-CA 3.24Å; N59-G106 WeakPolarHBondContact O-CA 3.31Å; G106-C108 PolarHBondContact O-N 3.25Å; G106-C108 VanDerWaalsContact O-N 3.16Å; G106-K129 CarbonylContact C-O 3.4Å; G106-K129 WeakPolarHBondContact CA-O 3.49Å; G106-T130 PolarHBondContact N-OG1 3.06Å; G106-T130 WeakPolarHBondContact O-CA 3.42Å; G106-I131 PolarHBondContact O-N 3.28Å
107T97.1Very high96.4Very high24 Ų2415.2 Ų15.215%0.1478%0.078CC..EExtended strand (participates in β ladder)trans-61116.2-174.1-47.20000110.8E24 N59 F61 I62 A63 L109 K129E24-T107 PolarHBondContact OE2-OG1 3.1Å; N59-T107 PolarHBondContact O-N 2.55Å; F61-T107 WeakPolarHBondContact CB-O 3.3Å; F61-T107 PolarHBondContact N-O 2.86Å; I62-T107 CarbonylContact C-O 3.58Å; I62-T107 PolarHBondContact N-O 2.88Å; I62-T107 VanDerWaalsContact O-O 3.14Å; A63-T107 HydrophobicContact CB-CG2 3.85Å; T107-L109 HydrophobicContact CG2-CB 4.29Å; T107-L109 HydrophobicContact CG2-CD1 3.48Å; T107-L109 VanDerWaalsContact CG2-CD1 3.48Å; T107-L109 HydrophobicContact CG2-CG 3.55Å; T107-K129 PolarHBondContact N-O 3.25Å
108C98.3Very high96.7Very high0 Ų06.4 Ų6.40%04%0.035CC..EExtended strand (participates in β ladder)trans-126.580.2175.7-174.90000108.9F61 I62 I104 G106 I131 F132 G133F61-C108 HydrophobicContact CB-CB 4.21Å; F61-C108 HydrophobicContact CD1-CB 4.17Å; F61-C108 VanDerWaalsContact CD1-SG 3.53Å; I62-C108 WeakPolarHBondContact O-CA 3.39Å; I104-C108 HydrophobicContact CG2-CB 3.7Å; G106-C108 PolarHBondContact O-N 3.25Å; G106-C108 VanDerWaalsContact O-N 3.16Å; C108-I131 PolarHBondContact N-O 3.5Å; C108-F132 HydrophobicContact CB-CD1 3.86Å; C108-F132 HydrophobicContact CB-CE1 4.08Å; C108-F132 WeakPolarHBondContact O-CA 3.44Å; C108-G133 PolarHBondContact O-N 3.48Å
109L98.3Very high96.8Very high23 Ų235 Ų512%0.123%0.029CC..EExtended strand (participates in β ladder)trans-121.3150.2-170.3-61.2-179.4000111.7I62 G64 T107 G111 G112 I131 G133 P135 T169I62-L109 PolarHBondContact O-N 3.29Å; G64-L109 WeakPolarHBondContact CA-O 3.47Å; G64-L109 PolarHBondContact N-O 2.67Å; T107-L109 HydrophobicContact CG2-CB 4.29Å; T107-L109 HydrophobicContact CG2-CD1 3.48Å; T107-L109 VanDerWaalsContact CG2-CD1 3.48Å; T107-L109 HydrophobicContact CG2-CG 3.55Å; L109-G111 PolarHBondContact O-N 2.69Å; L109-G112 WeakPolarHBondContact O-CA 3.45Å; L109-G112 PolarHBondContact O-N 3.01Å; L109-I131 HydrophobicContact CD1-CD1 4.46Å; L109-I131 HydrophobicContact CD2-CG1 4.43Å; L109-G133 CarbonylContact C-O 3.46Å; L109-G133 WeakPolarHBondContact CA-O 3.48Å; L109-P135 HydrophobicContact CB-CG 4.22Å; L109-T169 HydrophobicContact CD2-CG2 3.61Å
110G97Very high96.8Very high1 Ų14.2 Ų4.21%0.012%0.024CC..THydrogen-bonded Turntrans51.7-124.5175.400000112.4G112 L113 E114 G133 E136G110-G112 PolarHBondContact O-N 2.99Å; G110-L113 CarbonylContact O-C 3.36Å; G110-L113 WeakPolarHBondContact O-CA 3.34Å; G110-L113 WeakPolarHBondContact O-CB 3.48Å; G110-L113 PolarHBondContact O-N 3.04Å; G110-E114 WeakPolarHBondContact O-CG 3.42Å; G110-E114 PolarHBondContact O-N 3.03Å; G110-G133 PolarHBondContact N-O 3.15Å; G110-E136 WeakPolarHBondContact CA-OE1 3.31Å
111G95.8Very high96.7Very high2 Ų24.9 Ų4.92%0.0213%0.026CC..Hα-helixtrans-50.5-27.417500000115.3F86 L109 E114 L115F86-G111 WeakPolarHBondContact CZ-O 3.35Å; L109-G111 PolarHBondContact O-N 2.69Å; G111-E114 PolarHBondContact O-N 3.11Å; G111-L115 PolarHBondContact O-N 3.31Å
112G96.7Very high96.7Very high0 Ų05.1 Ų5.10%03%0.027CC..Hα-helixtrans-65-47.7170.500000113.9F61 I62 L109 G110 E114 L115 A116F61-G112 WeakPolarHBondContact CE1-O 3.47Å; I62-G112 VanDerWaalsContact CB-CA 3.49Å; L109-G112 WeakPolarHBondContact O-CA 3.45Å; L109-G112 PolarHBondContact O-N 3.01Å; G110-G112 PolarHBondContact O-N 2.99Å; G112-E114 VanDerWaalsContact C-N 3.33Å; G112-L115 PolarHBondContact O-N 2.87Å; G112-A116 PolarHBondContact O-N 2.95Å; G112-A116 VanDerWaalsContact O-N 3.09Å
113L98.4Very high96.6Very high1 Ų15.1 Ų5.11%0.0053%0.027CC..Hα-helixtrans-67.7-36.6174.6-174.655.6000111.1G110 L115 A116 L117 F132 L134 L180G110-L113 CarbonylContact O-C 3.36Å; G110-L113 WeakPolarHBondContact O-CA 3.34Å; G110-L113 WeakPolarHBondContact O-CB 3.48Å; G110-L113 PolarHBondContact O-N 3.04Å; L113-L115 VanDerWaalsContact C-N 3.3Å; L113-L115 PolarHBondContact O-N 3.25Å; L113-A116 HydrophobicContact CD1-CB 4.4Å; L113-A116 PolarHBondContact O-N 2.99Å; L113-L117 HydrophobicContact CD1-CG 4.34Å; L113-L117 HydrophobicContact CG-CD1 4.05Å; L113-L117 HydrophobicContact CG-CG 4.23Å; L113-L117 WeakPolarHBondContact O-CB 3.48Å; L113-L117 WeakPolarHBondContact O-CG 3.46Å; L113-L117 PolarHBondContact O-N 3.03Å; L113-F132 HydrophobicContact CD1-CB 4.38Å; L113-F132 HydrophobicContact CD1-CD1 4.07Å; L113-F132 HydrophobicContact CD2-CB 4.32Å; L113-L134 HydrophobicContact CB-CD2 4.06Å; L113-L134 HydrophobicContact CD2-CD2 4.18Å; L113-L134 HydrophobicContact CD2-CG 4.06Å; L113-L134 HydrophobicContact CG-CD2 4.36Å; L113-L180 HydrophobicContact CD1-CD1 4.06Å; L113-L180 HydrophobicContact CD1-CD2 4.26Å; L113-L180 HydrophobicContact CD1-CG 4.4Å; L113-L180 HydrophobicContact CD2-CD2 4.31Å
114E98.3Very high96.5Very high5 Ų55.1 Ų5.12%0.0233%0.027CC..Hα-helixtrans-61.8-38.3175.9-62.7-173.911100112.4F86 L90 G110 G111 G112 L117 A118 L134 P143 G144 G145 G146 G147F86-E114 HydrophobicContact CE1-CB 4.21Å; L90-E114 HydrophobicContact CD1-CB 3.82Å; G110-E114 WeakPolarHBondContact O-CG 3.42Å; G110-E114 PolarHBondContact O-N 3.03Å; G111-E114 PolarHBondContact O-N 3.11Å; G112-E114 VanDerWaalsContact C-N 3.33Å; E114-L117 PolarHBondContact O-N 3.26Å; E114-A118 PolarHBondContact O-N 3.45Å; E114-L134 HydrophobicContact CG-CD2 3.86Å; E114-P143 WeakPolarHBondContact OE1-CB 3.08Å; E114-G144 PolarHBondContact OE1-N 3.29Å; E114-G145 VanDerWaalsContact OE1-CA 3.25Å; E114-G145 WeakPolarHBondContact OE1-CA 3.49Å; E114-G145 PolarHBondContact OE1-N 3.49Å; E114-G145 WeakPolarHBondContact OE2-CA 3.39Å; E114-G145 PolarHBondContact OE2-N 3.13Å; E114-G146 PolarHBondContact OE1-N 3.32Å; E114-G146 VanDerWaalsContact OE1-N 3.08Å; E114-G147 WeakPolarHBondContact OE1-CA 3.44Å; E114-G147 PolarHBondContact OE1-N 3.2Å
115L97Very high96.3Very high6 Ų65.1 Ų5.13%0.0313%0.027CC..Hα-helixtrans-63-49.8171.4-172.4155.3000111.2V53 F61 I62 L90 I93 G111 G112 L113 L117 A118 C119V53-L115 HydrophobicContact CB-CD2 4.37Å; V53-L115 HydrophobicContact CG1-CD2 3.93Å; F61-L115 HydrophobicContact CE1-CD2 4.33Å; F61-L115 HydrophobicContact CZ-CD2 3.99Å; I62-L115 HydrophobicContact CD1-CD1 4.11Å; L90-L115 HydrophobicContact CD2-CB 3.99Å; L90-L115 HydrophobicContact CD2-CG 4.05Å; I93-L115 HydrophobicContact CD1-CG 4.18Å; G111-L115 PolarHBondContact O-N 3.31Å; G112-L115 PolarHBondContact O-N 2.87Å; L113-L115 VanDerWaalsContact C-N 3.3Å; L113-L115 PolarHBondContact O-N 3.25Å; L115-L117 PolarHBondContact O-N 3.42Å; L115-A118 WeakPolarHBondContact O-CB 3.48Å; L115-A118 PolarHBondContact O-N 2.86Å; L115-C119 PolarHBondContact O-N 3.29Å
116A97.5Very high96.1Very high0 Ų07.1 Ų7.10%04%0.038CC..Hα-helixtrans-60.1-34.3178.100000112.8F61 A102 I104 G112 L113 A118 C119 R122F61-A116 HydrophobicContact CE1-CB 4.39Å; A102-A116 HydrophobicContact CB-CB 4.21Å; I104-A116 HydrophobicContact CD1-CB 3.77Å; G112-A116 PolarHBondContact O-N 2.95Å; G112-A116 VanDerWaalsContact O-N 3.09Å; L113-A116 HydrophobicContact CD1-CB 4.4Å; L113-A116 PolarHBondContact O-N 2.99Å; A116-A118 VanDerWaalsContact C-N 3.28Å; A116-A118 PolarHBondContact O-N 3.35Å; A116-C119 WeakPolarHBondContact O-CB 3.31Å; A116-C119 PolarHBondContact O-N 2.98Å; A116-R122 HydrophobicContact CB-CG 4.18Å; A116-R122 VanDerWaalsContact O-CD 3.32Å; A116-R122 WeakPolarHBondContact O-CD 3.25Å; A116-R122 WeakPolarHBondContact O-CG 3.43Å; A116-R122 PolarHBondContact O-NH1 2.86Å
117L97.2Very high95.7Very high11 Ų118 Ų86%0.0584%0.043CC..Hα-helixtrans-70.1-22175-73.7169000113.1L113 E114 L115 R150 L151 L154 L180L113-L117 HydrophobicContact CD1-CG 4.34Å; L113-L117 HydrophobicContact CG-CD1 4.05Å; L113-L117 HydrophobicContact CG-CG 4.23Å; L113-L117 WeakPolarHBondContact O-CB 3.48Å; L113-L117 WeakPolarHBondContact O-CG 3.46Å; L113-L117 PolarHBondContact O-N 3.03Å; E114-L117 PolarHBondContact O-N 3.26Å; L115-L117 PolarHBondContact O-N 3.42Å; L117-R150 HydrophobicContact CB-CB 4.02Å; L117-L151 HydrophobicContact CD1-CB 3.81Å; L117-L151 HydrophobicContact CD1-CD1 4.34Å; L117-L151 HydrophobicContact CD2-CB 4.42Å; L117-L151 HydrophobicContact CD2-CD1 4.03Å; L117-L154 HydrophobicContact CD2-CB 4.48Å; L117-L154 HydrophobicContact CD2-CD2 3.54Å; L117-L180 HydrophobicContact CD2-CD1 3.76Å
118A96.1Very high95.1Very high0 Ų012.6 Ų12.60%07%0.074CC..Hα-helixtrans-78.7-26.2174.300000112.5L90 I93 H94 E114 L115 A116L90-A118 HydrophobicContact CB-CB 3.94Å; L90-A118 HydrophobicContact CD2-CB 4.17Å; L90-A118 WeakPolarHBondContact O-CB 3.22Å; I93-A118 HydrophobicContact CB-CB 4.07Å; I93-A118 HydrophobicContact CG2-CB 3.95Å; H94-A118 WeakPolarHBondContact CA-O 3.27Å; E114-A118 PolarHBondContact O-N 3.45Å; L115-A118 WeakPolarHBondContact O-CB 3.48Å; L115-A118 PolarHBondContact O-N 2.86Å; A116-A118 VanDerWaalsContact C-N 3.28Å; A116-A118 PolarHBondContact O-N 3.35Å
119C96Very high94.6Very high1 Ų117.8 Ų17.81%0.00710%0.096CC..SBendtrans-69.5157.6177.7-63.10000113.1V100 A102 L115 A116 R122V100-C119 CarbonylContact O-C 3.56Å; V100-C119 VanDerWaalsContact O-CB 3.31Å; V100-C119 WeakPolarHBondContact O-CB 3.35Å; A102-C119 HydrophobicContact CB-CB 4.12Å; L115-C119 PolarHBondContact O-N 3.29Å; A116-C119 WeakPolarHBondContact O-CB 3.31Å; A116-C119 PolarHBondContact O-N 2.98Å; C119-R122 PolarHBondContact O-NH1 2.95Å
120D92.9Very high94.5Very high4 Ų416.7 Ų16.72%0.0219%0.09CC..SBendtrans-69.7-31.7177.5-72.8-68.8000114.1P99 V100 P221 M222 R223P99-D120 WeakPolarHBondContact CA-OD2 3.39Å; V100-D120 PolarHBondContact N-OD2 3.1Å; V100-D120 WeakPolarHBondContact O-CB 3.2Å; V100-D120 PolarHBondContact O-N 3.41Å; D120-P221 HydrophobicContact CB-CB 4.09Å; D120-M222 PolarHBondContact O-N 3.38Å; D120-R223 IonicContact OD1-CZ 3.42Å; D120-R223 IonicContact OD1-NE 3.23Å; D120-R223 PolarHBondContact OD1-NE 2.59Å; D120-R223 IonicContact OD1-NH2 2.81Å; D120-R223 PolarHBondContact OD1-NH2 3.05Å; D120-R223 IonicContact OD2-NH2 3.79Å; D120-R223 PolarHBondContact OD2-NH2 3.48Å
121Y94.8Very high94.5Very high15 Ų1518.7 Ų18.76%0.05910%0.101CC..EExtended strand (participates in β ladder)trans-152.2143.7-171.3-150.7-99.6000110.5V101 A102 I123 D182 L183 V210 L214 M222V101-Y121 CarbonylContact C-O 3.45Å; V101-Y121 WeakPolarHBondContact CA-O 3.35Å; A102-Y121 PolarHBondContact N-O 3.35Å; Y121-I123 HydrophobicContact CD1-CD1 4.49Å; Y121-I123 HydrophobicContact CD1-CG1 3.92Å; Y121-I123 HydrophobicContact CE1-CG1 4.15Å; Y121-D182 WeakPolarHBondContact CA-OD2 3.39Å; Y121-D182 HydrophobicContact CD1-CB 3.9Å; Y121-D182 HydrophobicContact CD2-CB 3.77Å; Y121-D182 HydrophobicContact CE1-CB 3.55Å; Y121-D182 HydrophobicContact CE2-CB 3.4Å; Y121-D182 HydrophobicContact CG-CB 4Å; Y121-L183 HydrophobicContact CE1-CB 3.83Å; Y121-V210 HydrophobicContact CD1-CG1 3.59Å; Y121-V210 HydrophobicContact CE1-CG1 3.73Å; Y121-V210 HydrophobicContact CG-CG1 4.34Å; Y121-L214 HydrophobicContact CG-CD1 4.46Å; Y121-M222 HydrophobicContact CE2-CG 4.35Å; Y121-M222 HydrophobicContact CE2-SD 4.28Å
122R96.6Very high94.6Very high4 Ų418.7 Ų18.72%0.01510%0.1CC..EExtended strand (participates in β ladder)trans-125.9122-178.8-69.4148.7-65.6-75.8-10.7110.4A102 I104 A116 C119 L180 D182 L183 M222A102-R122 HydrophobicContact CB-CG 4.23Å; A102-R122 WeakPolarHBondContact O-CA 3.4Å; I104-R122 HydrophobicContact CD1-CB 4.26Å; I104-R122 HydrophobicContact CD1-CG 4.26Å; A116-R122 HydrophobicContact CB-CG 4.18Å; A116-R122 VanDerWaalsContact O-CD 3.32Å; A116-R122 WeakPolarHBondContact O-CD 3.25Å; A116-R122 WeakPolarHBondContact O-CG 3.43Å; A116-R122 PolarHBondContact O-NH1 2.86Å; C119-R122 PolarHBondContact O-NH1 2.95Å; R122-L180 WeakPolarHBondContact CD-O 3.36Å; R122-L180 PolarHBondContact NE-O 3.39Å; R122-D182 IonicContact CZ-OD2 2.64Å; R122-D182 VanDerWaalsContact CZ-OD2 3.26Å; R122-D182 PolarHBondContact N-OD2 3.05Å; R122-D182 IonicContact NE-OD2 3.03Å; R122-D182 PolarHBondContact NE-OD2 3.37Å; R122-D182 IonicContact NH2-OD1 3.42Å; R122-D182 PolarHBondContact NH2-OD1 3.47Å; R122-D182 IonicContact NH2-OD2 3.03Å; R122-D182 PolarHBondContact NH2-OD2 3.34Å; R122-D182 PolarHBondContact O-N 2.93Å; R122-L183 PolarHBondContact O-N 2.75Å; R122-M222 PolarHBondContact NH2-O 2.74Å
123I95.8Very high94.7Very high0 Ų018.7 Ų18.70%010%0.1CC..EExtended strand (participates in β ladder)trans-111.4128.8177.6-55.3168.5000107.4V101 A102 I104 Y121 L183 I185 L203 S207 V210V101-I123 HydrophobicContact CG1-CD1 3.65Å; V101-I123 HydrophobicContact CG1-CG1 4.1Å; A102-I123 PolarHBondContact O-N 3.06Å; I104-I123 WeakPolarHBondContact CB-O 3.18Å; I104-I123 PolarHBondContact N-O 3.27Å; Y121-I123 HydrophobicContact CD1-CD1 4.49Å; Y121-I123 HydrophobicContact CD1-CG1 3.92Å; Y121-I123 HydrophobicContact CE1-CG1 4.15Å; I123-L183 CarbonylContact C-O 3.55Å; I123-L183 VanDerWaalsContact CA-O 3.32Å; I123-L183 WeakPolarHBondContact CA-O 3.45Å; I123-L183 HydrophobicContact CG1-CB 4.28Å; I123-L183 HydrophobicContact CG2-CB 4.49Å; I123-L183 HydrophobicContact CG2-CD2 3.73Å; I123-I185 HydrophobicContact CG2-CD1 3.72Å; I123-I185 HydrophobicContact CG2-CG1 3.87Å; I123-L203 HydrophobicContact CB-CD1 4.43Å; I123-L203 HydrophobicContact CG2-CD1 3.91Å; I123-S207 WeakPolarHBondContact CD1-OG 3.27Å; I123-V210 HydrophobicContact CD1-CB 3.62Å; I123-V210 HydrophobicContact CD1-CG1 3.83Å; I123-V210 HydrophobicContact CD1-CG2 3.61Å; I123-V210 HydrophobicContact CG1-CG1 4.5Å; I123-V210 HydrophobicContact CG1-CG2 4.48Å
124A95.6Very high94.7Very high0 Ų018.6 Ų18.60%010%0.1CC..EExtended strand (participates in β ladder)trans-124.4137-178.500000112.4I104 T130 F132 V172 V181 L183 V184 I185I104-A124 CarbonylContact O-C 3.56Å; I104-A124 VanDerWaalsContact O-CA 3.29Å; I104-A124 WeakPolarHBondContact O-CA 3.32Å; A124-T130 HydrophobicContact CB-CG2 4.49Å; A124-F132 HydrophobicContact CB-CE2 4.42Å; A124-F132 HydrophobicContact CB-CZ 3.68Å; A124-V172 HydrophobicContact CB-CG1 4.09Å; A124-V172 HydrophobicContact CB-CG2 4.17Å; A124-V181 HydrophobicContact CB-CB 4.43Å; A124-V181 HydrophobicContact CB-CG1 3.67Å; A124-V181 HydrophobicContact CB-CG2 3.83Å; A124-L183 PolarHBondContact N-O 3.27Å; A124-V184 CarbonylContact O-C 3.52Å; A124-V184 WeakPolarHBondContact O-CA 3.41Å; A124-I185 PolarHBondContact O-N 3.21Å
125V93.1Very high94.6Very high0 Ų019.7 Ų19.70%011%0.107CC..EExtended strand (participates in β ladder)trans-81.9126.9169-171.20000109.4I104 M105 T127 T130 I185 P187 M199 L203I104-V125 PolarHBondContact O-N 3.44Å; M105-V125 HydrophobicContact CB-CB 4.26Å; M105-V125 HydrophobicContact CB-CG2 4.01Å; M105-V125 HydrophobicContact CG-CB 4.16Å; M105-V125 HydrophobicContact CG-CG2 4.26Å; V125-T127 VanDerWaalsContact C-N 3.27Å; V125-T127 HydrophobicContact CB-CG2 4.35Å; V125-T127 HydrophobicContact CG1-CG2 3.72Å; V125-T127 PolarHBondContact O-N 2.92Å; V125-T130 WeakPolarHBondContact O-CB 3.41Å; V125-T130 WeakPolarHBondContact O-CG2 2.87Å; V125-T130 PolarHBondContact O-OG1 3.17Å; V125-I185 CarbonylContact C-O 3.44Å; V125-I185 WeakPolarHBondContact CA-O 3.26Å; V125-I185 HydrophobicContact CG2-CB 4.49Å; V125-P187 HydrophobicContact CG1-CG 4.1Å; V125-M199 HydrophobicContact CG1-CE 3.62Å; V125-L203 HydrophobicContact CG2-CB 3.91Å; V125-L203 HydrophobicContact CG2-CD1 3.9Å; V125-L203 HydrophobicContact CG2-CD2 3.94Å; V125-L203 HydrophobicContact CG2-CG 4.11Å
126N90.6Very high94.7Very high53 Ų5320.3 Ų20.328%0.28311%0.11SC..  trans-76.870.6-178-170.821.9000112.8V172 V184 I185 E186 P187N126-V172 HydrophobicContact CB-CB 4.35Å; N126-V172 HydrophobicContact CB-CG1 4.07Å; N126-V184 HydrophobicContact CB-CG1 3.76Å; N126-I185 PolarHBondContact N-O 2.73Å; N126-E186 WeakPolarHBondContact CB-OE2 3.42Å; N126-E186 PolarHBondContact ND2-OE1 2.78Å; N126-E186 PolarHBondContact ND2-OE2 3.07Å; N126-P187 VanDerWaalsContact O-CD 3.27Å; N126-P187 WeakPolarHBondContact O-CD 3.44Å; N126-P187 VanDerWaalsContact O-CG 3.22Å; N126-P187 WeakPolarHBondContact O-CG 3.47Å
127T87.5Confident94.7Very high18 Ų1821 Ų2111%0.1111%0.114CC..  trans-105.3154.6172.679.20000111.4M105 V125 K129 T130 P187M105-T127 HydrophobicContact CE-CG2 4.31Å; V125-T127 VanDerWaalsContact C-N 3.27Å; V125-T127 HydrophobicContact CB-CG2 4.35Å; V125-T127 HydrophobicContact CG1-CG2 3.72Å; V125-T127 PolarHBondContact O-N 2.92Å; T127-K129 PolarHBondContact O-N 3.45Å; T127-K129 VanDerWaalsContact O-N 3.12Å; T127-K129 PolarHBondContact OG1-N 2.97Å; T127-T130 PolarHBondContact O-N 2.89Å; T127-T130 PolarHBondContact OG1-N 3.26Å; T127-T130 PolarHBondContact OG1-OG1 3.36Å; T127-P187 HydrophobicContact CG2-CG 4.03Å
128P82.7Confident94.7Very high120 Ų12027.2 Ų27.278%0.77914%0.137SC*.THydrogen-bonded Turntrans-58.1-25.3174.3-26.135.1000114.4
129K89.2Confident94.7Very high109 Ų10928.5 Ų28.547%0.47414%0.143SC..THydrogen-bonded Turntrans-84.5-14.4177.2-66173.2-179170.50112.5N59 G106 T107 T127 I131 E196N59-K129 HydrophobicContact CB-CB 4.12Å; N59-K129 HydrophobicContact CB-CD 3.67Å; N59-K129 WeakPolarHBondContact ND2-CD 3.19Å; N59-K129 PolarHBondContact ND2-NZ 3.36Å; N59-K129 VanDerWaalsContact ND2-NZ 3.11Å; N59-K129 WeakPolarHBondContact OD1-CD 3.46Å; G106-K129 CarbonylContact C-O 3.4Å; G106-K129 WeakPolarHBondContact CA-O 3.49Å; T107-K129 PolarHBondContact N-O 3.25Å; T127-K129 PolarHBondContact O-N 3.45Å; T127-K129 VanDerWaalsContact O-N 3.12Å; T127-K129 PolarHBondContact OG1-N 2.97Å; K129-I131 PolarHBondContact O-N 2.96Å; K129-E196 IonicContact NZ-OE1 2.66Å; K129-E196 PolarHBondContact NZ-OE1 2.75Å
130T94.8Very high94.7Very high0 Ų028.6 Ų28.60%015%0.145CC..  trans-81.4105.7179.4-550000110.4I104 G106 A124 V125 T127 F132 V172I104-T130 HydrophobicContact CG2-CG2 4.45Å; G106-T130 PolarHBondContact N-OG1 3.06Å; G106-T130 WeakPolarHBondContact O-CA 3.42Å; A124-T130 HydrophobicContact CB-CG2 4.49Å; V125-T130 WeakPolarHBondContact O-CB 3.41Å; V125-T130 WeakPolarHBondContact O-CG2 2.87Å; V125-T130 PolarHBondContact O-OG1 3.17Å; T127-T130 PolarHBondContact O-N 2.89Å; T127-T130 PolarHBondContact OG1-N 3.26Å; T127-T130 PolarHBondContact OG1-OG1 3.36Å; T130-F132 HydrophobicContact CG2-CE2 3.99Å; T130-F132 HydrophobicContact CG2-CZ 3.87Å; T130-V172 HydrophobicContact CG2-CG2 3.46Å; T130-V172 VanDerWaalsContact CG2-CG2 3.46Å
131I97Very high95Very high44 Ų4428.4 Ų28.423%0.22614%0.144CC..EExtended strand (participates in β ladder)trans-137.5149.3-174.560.4174.9000111.3G106 C108 L109 K129 T169 V170G106-I131 PolarHBondContact O-N 3.28Å; C108-I131 PolarHBondContact N-O 3.5Å; L109-I131 HydrophobicContact CD1-CD1 4.46Å; L109-I131 HydrophobicContact CD2-CG1 4.43Å; K129-I131 PolarHBondContact O-N 2.96Å; I131-T169 HydrophobicContact CD1-CG2 4.23Å; I131-V170 VanDerWaalsContact CA-O 3.31Å; I131-V170 WeakPolarHBondContact CA-O 3.45Å
132F98.7Very high95.1Very high1 Ų127.7 Ų27.70%0.00414%0.141CC..EExtended strand (participates in β ladder)trans-125.4143.9-177.5-49.5-97.3000110.9I104 C108 L113 A124 T130 T169 V170 V172 A175 L180 V181I104-F132 HydrophobicContact CB-CE1 4.36Å; I104-F132 HydrophobicContact CD1-CE1 3.83Å; I104-F132 HydrophobicContact CG2-CE1 3.73Å; I104-F132 HydrophobicContact CG2-CZ 4.06Å; C108-F132 HydrophobicContact CB-CD1 3.86Å; C108-F132 HydrophobicContact CB-CE1 4.08Å; C108-F132 WeakPolarHBondContact O-CA 3.44Å; L113-F132 HydrophobicContact CD1-CB 4.38Å; L113-F132 HydrophobicContact CD1-CD1 4.07Å; L113-F132 HydrophobicContact CD2-CB 4.32Å; A124-F132 HydrophobicContact CB-CE2 4.42Å; A124-F132 HydrophobicContact CB-CZ 3.68Å; T130-F132 HydrophobicContact CG2-CE2 3.99Å; T130-F132 HydrophobicContact CG2-CZ 3.87Å; F132-T169 CarbonylContact O-C 3.6Å; F132-T169 WeakPolarHBondContact O-CA 3.29Å; F132-V170 HydrophobicContact CB-CG2 3.84Å; F132-V170 HydrophobicContact CD2-CG2 4.39Å; F132-V170 PolarHBondContact N-O 3.21Å; F132-V170 PolarHBondContact O-N 3.39Å; F132-V172 HydrophobicContact CE2-CG2 3.86Å; F132-V172 HydrophobicContact CZ-CG2 4.45Å; F132-A175 HydrophobicContact CD2-CB 3.61Å; F132-A175 HydrophobicContact CE2-CB 3.89Å; F132-A175 HydrophobicContact CG-CB 4.29Å; F132-L180 HydrophobicContact CB-CD2 3.66Å; F132-L180 HydrophobicContact CD1-CD2 4.5Å; F132-L180 HydrophobicContact CG-CD2 4.12Å; F132-V181 HydrophobicContact CE1-CG2 3.85Å; F132-V181 HydrophobicContact CE2-CG2 3.89Å; F132-V181 HydrophobicContact CZ-CG2 3.51Å
133G98.3Very high95.2Very high0 Ų027.6 Ų27.60%014%0.141CC..EExtended strand (participates in β ladder)trans172.6169.117300000113.2C108 L109 G110 P135C108-G133 PolarHBondContact O-N 3.48Å; L109-G133 CarbonylContact C-O 3.46Å; L109-G133 WeakPolarHBondContact CA-O 3.48Å; G110-G133 PolarHBondContact N-O 3.15Å; G133-P135 WeakPolarHBondContact O-CD 3.46Å
134L98.6Very high95.3Very high0 Ų027.9 Ų27.90%014%0.144CC..  trans-117.181.7175.3-68.4177.6000108.5L113 E114 E136 P143 L151 I164 G167L113-L134 HydrophobicContact CB-CD2 4.06Å; L113-L134 HydrophobicContact CD2-CD2 4.18Å; L113-L134 HydrophobicContact CD2-CG 4.06Å; L113-L134 HydrophobicContact CG-CD2 4.36Å; E114-L134 HydrophobicContact CG-CD2 3.86Å; L134-E136 WeakPolarHBondContact CA-OE2 3.47Å; L134-E136 WeakPolarHBondContact CB-OE2 3.28Å; L134-E136 PolarHBondContact O-N 3.5Å; L134-P143 HydrophobicContact CB-CG 3.96Å; L134-P143 HydrophobicContact CD1-CB 4.2Å; L134-P143 HydrophobicContact CD1-CG 3.73Å; L134-P143 HydrophobicContact CD2-CB 4.41Å; L134-P143 HydrophobicContact CD2-CG 4.37Å; L134-P143 HydrophobicContact CG-CG 4.21Å; L134-L151 HydrophobicContact CD1-CB 4.24Å; L134-L151 HydrophobicContact CD1-CD2 3.61Å; L134-L151 HydrophobicContact CG-CD2 4.31Å; L134-I164 HydrophobicContact CD1-CD1 4.5Å; L134-I164 HydrophobicContact CD1-CG1 3.81Å; L134-G167 WeakPolarHBondContact O-CA 3.48Å
135P97.3Very high95.3Very high28 Ų2827.9 Ų27.918%0.18214%0.144CC..G310 helixtrans-78.72.6-171.134.8-36.9000114.2L109 G133 V137 R138L109-P135 HydrophobicContact CB-CG 4.22Å; G133-P135 WeakPolarHBondContact O-CD 3.46Å; P135-V137 PolarHBondContact O-N 3.15Å; P135-V137 VanDerWaalsContact O-N 3.1Å; P135-R138 VanDerWaalsContact O-CB 3.27Å; P135-R138 WeakPolarHBondContact O-CB 3.26Å; P135-R138 PolarHBondContact O-N 3.13Å
136E98.3Very high95.6Very high18 Ų1827.9 Ų27.98%0.08414%0.144CC..G310 helixtrans-52.6-35.4-172.4-72.785.1170.300113.6G110 L134 R138 L139 G140 L141G110-E136 WeakPolarHBondContact CA-OE1 3.31Å; L134-E136 WeakPolarHBondContact CA-OE2 3.47Å; L134-E136 WeakPolarHBondContact CB-OE2 3.28Å; L134-E136 PolarHBondContact O-N 3.5Å; E136-R138 PolarHBondContact O-N 3.24Å; E136-R138 VanDerWaalsContact O-N 3.12Å; E136-L139 CarbonylContact O-C 3.58Å; E136-L139 WeakPolarHBondContact O-CA 3.28Å; E136-L139 WeakPolarHBondContact O-CB 3.33Å; E136-L139 PolarHBondContact O-N 2.64Å; E136-G140 PolarHBondContact O-N 2.88Å; E136-L141 CarbonylContact C-O 3.56Å; E136-L141 HydrophobicContact CB-CB 4.01Å; E136-L141 WeakPolarHBondContact O-CB 3.47Å; E136-L141 PolarHBondContact O-N 3.49Å
137V97.8Very high95.9Very high16 Ų1625.4 Ų25.410%0.09713%0.131CC..G310 helixtrans-58.1-28.3177.372.40000113.1P135 L139 G140 L141 I164 A263 P264 I267P135-V137 PolarHBondContact O-N 3.15Å; P135-V137 VanDerWaalsContact O-N 3.1Å; V137-L139 PolarHBondContact O-N 3.32Å; V137-G140 PolarHBondContact O-N 3.26Å; V137-L141 WeakPolarHBondContact CA-O 3.41Å; V137-L141 PolarHBondContact N-O 2.89Å; V137-I164 WeakPolarHBondContact CB-O 3.48Å; V137-I164 VanDerWaalsContact CG1-O 3.26Å; V137-I164 WeakPolarHBondContact CG1-O 3.24Å; V137-A263 HydrophobicContact CG2-CB 4.47Å; V137-P264 HydrophobicContact CG2-CG 3.76Å; V137-I267 HydrophobicContact CB-CD1 4.04Å; V137-I267 HydrophobicContact CG2-CD1 3.82Å
138R95.9Very high96.5Very high140 Ų14024.5 Ų24.553%0.52813%0.125SC..G310 helixtrans-74.4-17.2177-59.7178171.8177.2-5.2113P135 E136 T166 G167P135-R138 VanDerWaalsContact O-CB 3.27Å; P135-R138 WeakPolarHBondContact O-CB 3.26Å; P135-R138 PolarHBondContact O-N 3.13Å; E136-R138 PolarHBondContact O-N 3.24Å; E136-R138 VanDerWaalsContact O-N 3.12Å; R138-T166 PolarHBondContact NE-O 2.88Å; R138-G167 PolarHBondContact NE-O 3.2Å; R138-G167 PolarHBondContact NH1-O 3.04Å; R138-G167 PolarHBondContact NH2-O 3.33Å
139L96.4Very high97.2Very high27 Ų2718.8 Ų18.814%0.1419%0.088CC..G310 helixtrans-98.68.2174.4-56.3179.6000111.7T67 E136 V137 L141 S299 L303 F306T67-L139 HydrophobicContact CG2-CD1 4.36Å; E136-L139 CarbonylContact O-C 3.58Å; E136-L139 WeakPolarHBondContact O-CA 3.28Å; E136-L139 WeakPolarHBondContact O-CB 3.33Å; E136-L139 PolarHBondContact O-N 2.64Å; V137-L139 PolarHBondContact O-N 3.32Å; L139-L141 VanDerWaalsContact C-N 3.29Å; L139-L141 HydrophobicContact CB-CD1 4.05Å; L139-L141 HydrophobicContact CB-CG 4.35Å; L139-S299 WeakPolarHBondContact O-CA 3.21Å; L139-S299 PolarHBondContact O-OG 3.42Å; L139-L303 HydrophobicContact CB-CD2 4.21Å; L139-L303 HydrophobicContact CD1-CD2 4.15Å; L139-L303 HydrophobicContact CD2-CD2 4.25Å; L139-L303 HydrophobicContact CG-CD2 4.43Å; L139-F306 HydrophobicContact CD2-CB 3.66Å; L139-F306 HydrophobicContact CD2-CD1 4.46Å; L139-F306 HydrophobicContact CD2-CD2 3.94Å; L139-F306 HydrophobicContact CD2-CG 3.77Å
140G97.2Very high97.5Very high3 Ų314.4 Ų14.43%0.0317%0.069CC..THydrogen-bonded Turntrans75.519.4-175.100000113.5E136 V137 L302E136-G140 PolarHBondContact O-N 2.88Å; V137-G140 PolarHBondContact O-N 3.26Å; G140-L302 VanDerWaalsContact CA-CD1 3.47Å; G140-L302 VanDerWaalsContact N-CD1 3.32Å
141L98Very high97.6Very high1 Ų114.4 Ų14.41%0.0057%0.069CC..  trans-118.3-176.7-175.3-63.3169.3000111.3I70 E136 V137 L139 A263 F290 L293 A294 S299I70-L141 HydrophobicContact CD1-CD1 3.74Å; I70-L141 HydrophobicContact CG2-CD1 3.95Å; I70-L141 HydrophobicContact CG2-CD2 4.38Å; E136-L141 CarbonylContact C-O 3.56Å; E136-L141 HydrophobicContact CB-CB 4.01Å; E136-L141 WeakPolarHBondContact O-CB 3.47Å; E136-L141 PolarHBondContact O-N 3.49Å; V137-L141 WeakPolarHBondContact CA-O 3.41Å; V137-L141 PolarHBondContact N-O 2.89Å; L139-L141 VanDerWaalsContact C-N 3.29Å; L139-L141 HydrophobicContact CB-CD1 4.05Å; L139-L141 HydrophobicContact CB-CG 4.35Å; L141-A263 WeakPolarHBondContact O-CB 3.48Å; L141-F290 HydrophobicContact CD2-CE2 4.49Å; L141-L293 HydrophobicContact CD2-CB 4.08Å; L141-A294 HydrophobicContact CD2-CB 4.1Å; L141-S299 WeakPolarHBondContact CD2-OG 3.34Å
142L98.5Very high97.5Very high0 Ų012.4 Ų12.40%06%0.058CC..  trans-131.3162.516558.677.2000109.4G144 T148 L266 I267 V270 E286 A289 F290 L293L142-G144 PolarHBondContact O-N 2.79Å; L142-T148 HydrophobicContact CD1-CG2 4.37Å; L142-L266 HydrophobicContact CD2-CB 4.16Å; L142-I267 HydrophobicContact CB-CD1 4.1Å; L142-I267 HydrophobicContact CB-CG1 3.53Å; L142-I267 HydrophobicContact CD2-CG1 4.26Å; L142-V270 HydrophobicContact CD2-CG2 4.29Å; L142-E286 HydrophobicContact CD1-CG 3.61Å; L142-A289 HydrophobicContact CD2-CB 3.72Å; L142-F290 HydrophobicContact CD1-CB 4.13Å; L142-F290 WeakPolarHBondContact O-CD2 3.34Å; L142-L293 HydrophobicContact CB-CD1 4.24Å; L142-L293 HydrophobicContact CD2-CD1 3.67Å; L142-L293 HydrophobicContact CG-CD1 3.75Å
143P98.5Very high97.2Very high1 Ų115.7 Ų15.71%0.0067%0.071CC..  trans-54.4127.9174.8-23.432.7000110.7E114 L134 T148 I164 E286E114-P143 WeakPolarHBondContact OE1-CB 3.08Å; L134-P143 HydrophobicContact CB-CG 3.96Å; L134-P143 HydrophobicContact CD1-CB 4.2Å; L134-P143 HydrophobicContact CD1-CG 3.73Å; L134-P143 HydrophobicContact CD2-CB 4.41Å; L134-P143 HydrophobicContact CD2-CG 4.37Å; L134-P143 HydrophobicContact CG-CG 4.21Å; P143-T148 HydrophobicContact CB-CG2 4.14Å; P143-T148 HydrophobicContact CG-CG2 4.02Å; P143-I164 HydrophobicContact CG-CG2 3.97Å; P143-E286 WeakPolarHBondContact O-CG 3.43Å
144G97Very high96.9Very high7 Ų716.1 Ų16.17%0.0727%0.073CC..SBendtrans-109.3-3.9-171.800000114.9S83 E114 L142 E286S83-G144 WeakPolarHBondContact CB-O 3.25Å; S83-G144 PolarHBondContact OG-O 2.82Å; E114-G144 PolarHBondContact OE1-N 3.29Å; L142-G144 PolarHBondContact O-N 2.79Å; G144-E286 VanDerWaalsContact C-OE1 3.3Å
145G96.9Very high96.5Very high0 Ų016.5 Ų16.50%08%0.075CC..SBendtrans-101.73.6179.300000114.5L90 E114 R150L90-G145 VanDerWaalsContact CD1-O 3.24Å; L90-G145 WeakPolarHBondContact CD1-O 3.4Å; E114-G145 VanDerWaalsContact OE1-CA 3.25Å; E114-G145 WeakPolarHBondContact OE1-CA 3.49Å; E114-G145 PolarHBondContact OE1-N 3.49Å; E114-G145 WeakPolarHBondContact OE2-CA 3.39Å; E114-G145 PolarHBondContact OE2-N 3.13Å; G145-R150 PolarHBondContact O-NH1 2.82Å
146G97.9Very high96.2Very high0 Ų015.6 Ų15.60%07%0.069CC..SBendtrans10910.1-178.100000114E114 T148 Q149 R150 E286E114-G146 PolarHBondContact OE1-N 3.32Å; E114-G146 VanDerWaalsContact OE1-N 3.08Å; G146-T148 VanDerWaalsContact C-N 3.26Å; G146-T148 PolarHBondContact O-N 3.11Å; G146-Q149 PolarHBondContact O-N 3.29Å; G146-R150 PolarHBondContact O-N 2.99Å; G146-E286 VanDerWaalsContact C-OE2 3.3Å; G146-E286 WeakPolarHBondContact CA-OE1 3.28Å; G146-E286 VanDerWaalsContact CA-OE2 3.23Å; G146-E286 WeakPolarHBondContact CA-OE2 3.23Å; G146-E286 PolarHBondContact N-OE1 3.49Å
147G98.2Very high95.9Very high0 Ų014.8 Ų14.80%07%0.065CC..Hα-helixtrans-60.5-33.2178.600000112.9E114 Q149 L151 E286E114-G147 WeakPolarHBondContact OE1-CA 3.44Å; E114-G147 PolarHBondContact OE1-N 3.2Å; G147-Q149 PolarHBondContact O-N 3.26Å; G147-L151 VanDerWaalsContact O-CB 3.31Å; G147-L151 WeakPolarHBondContact O-CB 3.44Å; G147-L151 PolarHBondContact O-N 3.47Å; G147-E286 PolarHBondContact N-OE2 3.49Å
148T98.5Very high95.6Very high0 Ų016.4 Ų16.40%08%0.075CC..Hα-helixtrans-66.1-21.9174.470.90000112.2L142 P143 G146 P152 V270 V271 E286L142-T148 HydrophobicContact CD1-CG2 4.37Å; P143-T148 HydrophobicContact CB-CG2 4.14Å; P143-T148 HydrophobicContact CG-CG2 4.02Å; G146-T148 VanDerWaalsContact C-N 3.26Å; G146-T148 PolarHBondContact O-N 3.11Å; T148-P152 WeakPolarHBondContact O-CD 3.42Å; T148-P152 WeakPolarHBondContact O-CG 3.17Å; T148-V270 HydrophobicContact CG2-CG1 4.27Å; T148-V270 VanDerWaalsContact OG1-CG1 3.25Å; T148-V270 WeakPolarHBondContact OG1-CG1 3.42Å; T148-V271 WeakPolarHBondContact O-CG2 3.49Å; T148-E286 VanDerWaalsContact CB-OE2 3.25Å; T148-E286 WeakPolarHBondContact CB-OE2 3.07Å; T148-E286 HydrophobicContact CG2-CG 4.06Å; T148-E286 WeakPolarHBondContact CG2-OE2 3.42Å; T148-E286 PolarHBondContact N-OE2 3.45Å; T148-E286 PolarHBondContact OG1-OE2 2.89Å
149Q97.7Very high95.4Very high0 Ų012.3 Ų12.30%06%0.064CC..Hα-helixtrans-101.4-44.1-175.9-59.3-51.7-44.200113G146 G147 R153 V270 I279 L283G146-Q149 PolarHBondContact O-N 3.29Å; G147-Q149 PolarHBondContact O-N 3.26Å; Q149-R153 WeakPolarHBondContact O-CD 3.39Å; Q149-R153 WeakPolarHBondContact O-CG 3.49Å; Q149-R153 PolarHBondContact O-NH1 3.3Å; Q149-V270 PolarHBondContact NE2-O 2.92Å; Q149-V270 VanDerWaalsContact NE2-O 3.16Å; Q149-I279 HydrophobicContact CB-CD1 4.38Å; Q149-I279 HydrophobicContact CB-CG1 3.94Å; Q149-L283 HydrophobicContact CB-CD2 4.06Å; Q149-L283 HydrophobicContact CB-CG 4.5Å; Q149-L283 HydrophobicContact CG-CD2 3.86Å; Q149-L283 HydrophobicContact CG-CG 4.13Å
150R96.4Very high95.4Very high17 Ų1711 Ų116%0.0646%0.057CC..Hα-helixtrans-79.4-42.8-175.2-62.4-169.6-17089.73.1112.3N91 L117 G145 G146 R153 L154N91-R150 PolarHBondContact OD1-NH2 3.25Å; L117-R150 HydrophobicContact CB-CB 4.02Å; G145-R150 PolarHBondContact O-NH1 2.82Å; G146-R150 PolarHBondContact O-N 2.99Å; R150-R153 PolarHBondContact O-N 3.17Å; R150-L154 PolarHBondContact O-N 3.01Å
151L97.1Very high95.4Very high0 Ų011 Ų110%06%0.056CC..Hα-helixtrans-61.3-50.9-176-178.165.9000112.7L117 L134 G147 R153 L154 I155 L163 I164 L180L117-L151 HydrophobicContact CD1-CB 3.81Å; L117-L151 HydrophobicContact CD1-CD1 4.34Å; L117-L151 HydrophobicContact CD2-CB 4.42Å; L117-L151 HydrophobicContact CD2-CD1 4.03Å; L134-L151 HydrophobicContact CD1-CB 4.24Å; L134-L151 HydrophobicContact CD1-CD2 3.61Å; L134-L151 HydrophobicContact CG-CD2 4.31Å; G147-L151 VanDerWaalsContact O-CB 3.31Å; G147-L151 WeakPolarHBondContact O-CB 3.44Å; G147-L151 PolarHBondContact O-N 3.47Å; L151-R153 PolarHBondContact O-N 2.74Å; L151-L154 PolarHBondContact O-N 3.05Å; L151-L154 VanDerWaalsContact O-N 3.09Å; L151-I155 HydrophobicContact CD1-CD1 3.87Å; L151-I155 HydrophobicContact CD1-CG1 4.13Å; L151-I155 HydrophobicContact CD1-CG2 4.35Å; L151-I155 HydrophobicContact CG-CD1 4.19Å; L151-I155 HydrophobicContact CG-CG1 4.38Å; L151-I155 PolarHBondContact O-N 2.84Å; L151-I155 VanDerWaalsContact O-N 3.14Å; L151-L163 HydrophobicContact CD2-CB 4.04Å; L151-L163 HydrophobicContact CD2-CD1 4.18Å; L151-I164 HydrophobicContact CD2-CD1 4.45Å; L151-I164 HydrophobicContact CD2-CG1 4.11Å; L151-L180 HydrophobicContact CD1-CD1 3.62Å
152P93.8Very high95.3Very high1 Ų113.5 Ų13.51%0.0067%0.07CC..Hα-helixtrans-67.1-20.8-177.3-19.534.4000113.6T148 S156 L157 I164 Y275T148-P152 WeakPolarHBondContact O-CD 3.42Å; T148-P152 WeakPolarHBondContact O-CG 3.17Å; P152-S156 WeakPolarHBondContact CA-O 3.31Å; P152-S156 CarbonylContact O-C 3.58Å; P152-S156 WeakPolarHBondContact O-CA 3.5Å; P152-S156 PolarHBondContact O-N 2.97Å; P152-S156 VanDerWaalsContact O-O 3.12Å; P152-L157 HydrophobicContact CB-CD1 4.19Å; P152-L157 PolarHBondContact O-N 3.41Å; P152-I164 HydrophobicContact CG-CD1 3.88Å; P152-Y275 HydrophobicContact CB-CE2 4.26Å; P152-Y275 PolarHBondContact O-OH 3.25Å; P152-Y275 VanDerWaalsContact O-OH 3.12Å
153R92Very high95.3Very high71 Ų7113.5 Ų13.527%0.2687%0.07SC..Hα-helixtrans-83.6-26.4175-69.5177.9174.180-2.9112.9Q149 R150 L151 G274Q149-R153 WeakPolarHBondContact O-CD 3.39Å; Q149-R153 WeakPolarHBondContact O-CG 3.49Å; Q149-R153 PolarHBondContact O-NH1 3.3Å; R150-R153 PolarHBondContact O-N 3.17Å; L151-R153 PolarHBondContact O-N 2.74Å; R153-G274 PolarHBondContact NH2-O 2.76Å
154L92.3Very high95.3Very high9 Ų913.4 Ų13.45%0.0477%0.069CC..Hα-helixtrans-78.4-51.3178-176.663.7000111.8L117 R150 L151 L180 S225L117-L154 HydrophobicContact CD2-CB 4.48Å; L117-L154 HydrophobicContact CD2-CD2 3.54Å; R150-L154 PolarHBondContact O-N 3.01Å; L151-L154 PolarHBondContact O-N 3.05Å; L151-L154 VanDerWaalsContact O-N 3.09Å; L154-L180 HydrophobicContact CD2-CD1 4.02Å; L154-S225 WeakPolarHBondContact O-CB 3.11Å; L154-S225 PolarHBondContact O-N 3.18Å
155I91.4Very high95.4Very high8 Ų814.3 Ų14.34%0.0417%0.072CC..THydrogen-bonded Turntrans-98.9-49.6-17166172.1000113.5L151 D159 L163 L178 L180L151-I155 HydrophobicContact CD1-CD1 3.87Å; L151-I155 HydrophobicContact CD1-CG1 4.13Å; L151-I155 HydrophobicContact CD1-CG2 4.35Å; L151-I155 HydrophobicContact CG-CD1 4.19Å; L151-I155 HydrophobicContact CG-CG1 4.38Å; L151-I155 PolarHBondContact O-N 2.84Å; L151-I155 VanDerWaalsContact O-N 3.14Å; I155-D159 HydrophobicContact CD1-CB 3.73Å; I155-D159 HydrophobicContact CG1-CB 4.07Å; I155-L163 HydrophobicContact CD1-CD1 3.79Å; I155-L178 WeakPolarHBondContact CA-O 3.44Å; I155-L178 HydrophobicContact CB-CB 4.28Å; I155-L178 WeakPolarHBondContact CB-O 3.34Å; I155-L178 HydrophobicContact CD1-CB 4.42Å; I155-L178 HydrophobicContact CD1-CD1 4.33Å; I155-L178 HydrophobicContact CG2-CB 4.18Å; I155-L178 WeakPolarHBondContact CG2-O 3.37Å; I155-L180 HydrophobicContact CG2-CB 3.93Å; I155-L180 HydrophobicContact CG2-CD1 4.41Å
156S89.9Confident95.3Very high8 Ų816.6 Ų16.66%0.0569%0.086CC..  trans167.7159.5170.669.90000108.1P152 T158 D159 G160P152-S156 WeakPolarHBondContact CA-O 3.31Å; P152-S156 CarbonylContact O-C 3.58Å; P152-S156 WeakPolarHBondContact O-CA 3.5Å; P152-S156 PolarHBondContact O-N 2.97Å; P152-S156 VanDerWaalsContact O-O 3.12Å; S156-T158 VanDerWaalsContact C-N 3.31Å; S156-T158 PolarHBondContact O-N 3.21Å; S156-T158 PolarHBondContact OG-OG1 3.12Å; S156-D159 VanDerWaalsContact OG-CB 3.23Å; S156-D159 WeakPolarHBondContact OG-CB 3.18Å; S156-D159 PolarHBondContact OG-N 2.82Å; S156-D159 PolarHBondContact OG-OD2 3.46Å; S156-G160 PolarHBondContact O-N 2.78Å
157L91.8Very high95.3Very high2 Ų216.6 Ų16.61%0.019%0.086CC..Hα-helixtrans-60.9-42177.1177.256.2000111.8P152 L161 F236 F245 F246 V271 Y275P152-L157 HydrophobicContact CB-CD1 4.19Å; P152-L157 PolarHBondContact O-N 3.41Å; L157-L161 HydrophobicContact CD1-CD1 3.76Å; L157-L161 HydrophobicContact CD1-CG 4.11Å; L157-L161 HydrophobicContact CG-CD1 4.21Å; L157-L161 WeakPolarHBondContact O-CB 3.35Å; L157-L161 WeakPolarHBondContact O-CG 3.27Å; L157-L161 PolarHBondContact O-N 2.85Å; L157-F236 HydrophobicContact CB-CD2 4.2Å; L157-F236 HydrophobicContact CB-CE2 4.11Å; L157-F236 HydrophobicContact CD2-CD1 4.17Å; L157-F236 HydrophobicContact CD2-CD2 3.98Å; L157-F236 HydrophobicContact CD2-CE1 4.26Å; L157-F236 HydrophobicContact CD2-CE2 4.07Å; L157-F236 HydrophobicContact CD2-CG 4.05Å; L157-F236 HydrophobicContact CD2-CZ 4.21Å; L157-F245 HydrophobicContact CD1-CE1 4.37Å; L157-F245 HydrophobicContact CD2-CD1 3.81Å; L157-F245 HydrophobicContact CD2-CE1 3.55Å; L157-F245 HydrophobicContact CD2-CZ 4.42Å; L157-F245 HydrophobicContact CG-CD1 4.43Å; L157-F245 HydrophobicContact CG-CE1 3.67Å; L157-F245 HydrophobicContact CG-CZ 4.22Å; L157-F246 HydrophobicContact CD1-CE1 4.47Å; L157-F246 HydrophobicContact CD1-CZ 4.12Å; L157-F246 HydrophobicContact CD2-CE2 4.39Å; L157-F246 HydrophobicContact CD2-CZ 4.03Å; L157-V271 HydrophobicContact CD1-CG1 3.64Å; L157-Y275 HydrophobicContact CD1-CD2 4.3Å; L157-Y275 HydrophobicContact CD1-CE2 3.73Å; L157-Y275 HydrophobicContact CD2-CE1 4.36Å
158T91.8Very high95.2Very high50 Ų5019.4 Ų19.431%0.30710%0.097SC..Hα-helixtrans-70.8-47.2-17746.90000112.6S156 D162 M232 F236 F245S156-T158 VanDerWaalsContact C-N 3.31Å; S156-T158 PolarHBondContact O-N 3.21Å; S156-T158 PolarHBondContact OG-OG1 3.12Å; T158-D162 WeakPolarHBondContact O-CB 3.43Å; T158-D162 PolarHBondContact O-N 2.96Å; T158-M232 HydrophobicContact CG2-SD 4.22Å; T158-F236 HydrophobicContact CG2-CE2 4.43Å; T158-F236 HydrophobicContact CG2-CZ 4.36Å; T158-F245 HydrophobicContact CG2-CE2 3.81Å; T158-F245 HydrophobicContact CG2-CZ 3.92Å
159D93.1Very high95.1Very high54 Ų5421.7 Ų21.729%0.28911%0.111SC..Hα-helixtrans-71.5-36.8179.9-60.6-51000110.9I155 S156 D162 L163 L178I155-D159 HydrophobicContact CD1-CB 3.73Å; I155-D159 HydrophobicContact CG1-CB 4.07Å; S156-D159 VanDerWaalsContact OG-CB 3.23Å; S156-D159 WeakPolarHBondContact OG-CB 3.18Å; S156-D159 PolarHBondContact OG-N 2.82Å; S156-D159 PolarHBondContact OG-OD2 3.46Å; D159-D162 PolarHBondContact O-N 3.39Å; D159-L163 WeakPolarHBondContact O-CG 3.44Å; D159-L163 PolarHBondContact O-N 3.47Å; D159-L178 HydrophobicContact CB-CD2 3.98Å
160G96.1Very high95Very high0 Ų021.7 Ų21.70%011%0.111CC..Hα-helixtrans-60.7-49.3174.500000111.9S156 D162 L163 I164S156-G160 PolarHBondContact O-N 2.78Å; G160-D162 VanDerWaalsContact C-N 3.34Å; G160-D162 PolarHBondContact O-N 3.19Å; G160-L163 PolarHBondContact O-N 3.42Å; G160-I164 WeakPolarHBondContact O-CD1 3.45Å; G160-I164 WeakPolarHBondContact O-CG1 3.47Å; G160-I164 PolarHBondContact O-N 2.9Å
161L97Very high94.9Very high1 Ų123.4 Ų23.41%0.00512%0.121CC..Hα-helixtrans-63.5-37.5176.3-80.9172.5000112.6L157 I164 L165 F245 F246 M249 I267 V271L157-L161 HydrophobicContact CD1-CD1 3.76Å; L157-L161 HydrophobicContact CD1-CG 4.11Å; L157-L161 HydrophobicContact CG-CD1 4.21Å; L157-L161 WeakPolarHBondContact O-CB 3.35Å; L157-L161 WeakPolarHBondContact O-CG 3.27Å; L157-L161 PolarHBondContact O-N 2.85Å; L161-I164 PolarHBondContact O-N 2.97Å; L161-L165 HydrophobicContact CB-CD1 4.23Å; L161-L165 HydrophobicContact CD2-CD1 4.24Å; L161-L165 WeakPolarHBondContact O-CB 3.37Å; L161-L165 VanDerWaalsContact O-CG 3.24Å; L161-L165 WeakPolarHBondContact O-CG 3.42Å; L161-L165 PolarHBondContact O-N 3.36Å; L161-F245 HydrophobicContact CD1-CE1 3.62Å; L161-F245 HydrophobicContact CD1-CZ 3.88Å; L161-F246 HydrophobicContact CD1-CE1 4.31Å; L161-M249 HydrophobicContact CB-CE 4.43Å; L161-M249 HydrophobicContact CD1-CE 4.42Å; L161-M249 HydrophobicContact CD1-CG 4.29Å; L161-I267 HydrophobicContact CD2-CG2 4.23Å; L161-V271 HydrophobicContact CD2-CB 4.16Å; L161-V271 HydrophobicContact CD2-CG1 4.19Å; L161-V271 HydrophobicContact CD2-CG2 3.86Å; L161-V271 HydrophobicContact CG-CG1 4.45Å
162D95.7Very high94.7Very high54 Ų5423.4 Ų23.429%0.28912%0.121SC..Hα-helixtrans-59-48.8174.5176.861.7000111.9T158 D159 G160 T166 R168T158-D162 WeakPolarHBondContact O-CB 3.43Å; T158-D162 PolarHBondContact O-N 2.96Å; D159-D162 PolarHBondContact O-N 3.39Å; G160-D162 VanDerWaalsContact C-N 3.34Å; G160-D162 PolarHBondContact O-N 3.19Å; D162-T166 WeakPolarHBondContact O-CB 3.46Å; D162-T166 VanDerWaalsContact O-CG2 3.28Å; D162-T166 WeakPolarHBondContact O-CG2 3.44Å; D162-T166 PolarHBondContact O-N 3.39Å; D162-T166 VanDerWaalsContact O-N 3.15Å; D162-T166 PolarHBondContact O-OG1 2.89Å; D162-R168 IonicContact OD2-CZ 3.86Å; D162-R168 IonicContact OD2-NE 3.55Å; D162-R168 PolarHBondContact OD2-NE 3.14Å; D162-R168 IonicContact OD2-NH2 2.76Å; D162-R168 PolarHBondContact OD2-NH2 2.95Å
163L98.3Very high94.5Very high0 Ų026.4 Ų26.40%015%0.146CC..Hα-helixtrans-64-42.3178.2-67.6-176.6000112.5L151 I155 D159 G160 G167 R168 V170 L178L151-L163 HydrophobicContact CD2-CB 4.04Å; L151-L163 HydrophobicContact CD2-CD1 4.18Å; I155-L163 HydrophobicContact CD1-CD1 3.79Å; D159-L163 WeakPolarHBondContact O-CG 3.44Å; D159-L163 PolarHBondContact O-N 3.47Å; G160-L163 PolarHBondContact O-N 3.42Å; L163-G167 WeakPolarHBondContact O-CA 3.43Å; L163-G167 PolarHBondContact O-N 2.94Å; L163-R168 HydrophobicContact CD2-CG 3.7Å; L163-V170 HydrophobicContact CD1-CG1 4.5Å; L163-V170 HydrophobicContact CD2-CG1 3.64Å; L163-L178 HydrophobicContact CD1-CD1 4.31Å
164I98.7Very high94.6Very high0 Ų024.6 Ų24.60%014%0.141CC..Hα-helixtrans-71.7-43.6-178.6-59.5158.9000111.5L134 V137 P143 L151 P152 G160 L161 I267L134-I164 HydrophobicContact CD1-CD1 4.5Å; L134-I164 HydrophobicContact CD1-CG1 3.81Å; V137-I164 WeakPolarHBondContact CB-O 3.48Å; V137-I164 VanDerWaalsContact CG1-O 3.26Å; V137-I164 WeakPolarHBondContact CG1-O 3.24Å; P143-I164 HydrophobicContact CG-CG2 3.97Å; L151-I164 HydrophobicContact CD2-CD1 4.45Å; L151-I164 HydrophobicContact CD2-CG1 4.11Å; P152-I164 HydrophobicContact CG-CD1 3.88Å; G160-I164 WeakPolarHBondContact O-CD1 3.45Å; G160-I164 WeakPolarHBondContact O-CG1 3.47Å; G160-I164 PolarHBondContact O-N 2.9Å; L161-I164 PolarHBondContact O-N 2.97Å; I164-I267 HydrophobicContact CB-CG2 4.3Å; I164-I267 HydrophobicContact CG2-CB 4.44Å; I164-I267 HydrophobicContact CG2-CD1 3.9Å; I164-I267 HydrophobicContact CG2-CG1 4.03Å; I164-I267 HydrophobicContact CG2-CG2 3.53Å
165L97.9Very high94.7Very high25 Ų2524.2 Ų24.213%0.13114%0.138CC..Hα-helixtrans-76.4-27.2-174.3-70.8169.3000113.5L161 M249 V253 P264 I267 V268L161-L165 HydrophobicContact CB-CD1 4.23Å; L161-L165 HydrophobicContact CD2-CD1 4.24Å; L161-L165 WeakPolarHBondContact O-CB 3.37Å; L161-L165 VanDerWaalsContact O-CG 3.24Å; L161-L165 WeakPolarHBondContact O-CG 3.42Å; L161-L165 PolarHBondContact O-N 3.36Å; L165-M249 HydrophobicContact CD1-CE 3.35Å; L165-V253 HydrophobicContact CD1-CG2 4.06Å; L165-V253 HydrophobicContact CD2-CG2 3.95Å; L165-P264 HydrophobicContact CD2-CB 3.92Å; L165-I267 HydrophobicContact CD2-CB 3.9Å; L165-I267 HydrophobicContact CD2-CD1 4.24Å; L165-I267 HydrophobicContact CD2-CG2 3.63Å; L165-I267 HydrophobicContact CG-CG2 4.09Å; L165-V268 HydrophobicContact CD1-CG2 4.28Å; L165-V268 HydrophobicContact CD2-CG2 4.18Å
166T95.9Very high94.8Very high48 Ų4828.5 Ų28.529%0.29416%0.157SC..Hα-helixtrans-97.2-17.8178.466.50000113.3R138 D162 R168R138-T166 PolarHBondContact NE-O 2.88Å; D162-T166 WeakPolarHBondContact O-CB 3.46Å; D162-T166 VanDerWaalsContact O-CG2 3.28Å; D162-T166 WeakPolarHBondContact O-CG2 3.44Å; D162-T166 PolarHBondContact O-N 3.39Å; D162-T166 VanDerWaalsContact O-N 3.15Å; D162-T166 PolarHBondContact O-OG1 2.89Å; T166-R168 PolarHBondContact O-N 2.82Å; T166-R168 VanDerWaalsContact O-N 3.16Å; T166-R168 WeakPolarHBondContact OG1-CB 3.4Å; T166-R168 VanDerWaalsContact OG1-CG 3.31Å; T166-R168 WeakPolarHBondContact OG1-CG 3.35Å; T166-R168 PolarHBondContact OG1-N 3.37Å
167G96.9Very high94.8Very high0 Ų035 Ų350%018%0.18CC..  trans58.521.1-171.600000113.6L134 R138 L163L134-G167 WeakPolarHBondContact O-CA 3.48Å; R138-G167 PolarHBondContact NE-O 3.2Å; R138-G167 PolarHBondContact NH1-O 3.04Å; R138-G167 PolarHBondContact NH2-O 3.33Å; L163-G167 WeakPolarHBondContact O-CA 3.43Å; L163-G167 PolarHBondContact O-N 2.94Å
168R96Very high94.8Very high60 Ų6035.3 Ų35.323%0.22618%0.182CC..  trans-73.4153.2-177.776.9-177.5-178.482.8-1.8111.1D162 L163 T166 V170 E174D162-R168 IonicContact OD2-CZ 3.86Å; D162-R168 IonicContact OD2-NE 3.55Å; D162-R168 PolarHBondContact OD2-NE 3.14Å; D162-R168 IonicContact OD2-NH2 2.76Å; D162-R168 PolarHBondContact OD2-NH2 2.95Å; L163-R168 HydrophobicContact CD2-CG 3.7Å; T166-R168 PolarHBondContact O-N 2.82Å; T166-R168 VanDerWaalsContact O-N 3.16Å; T166-R168 WeakPolarHBondContact OG1-CB 3.4Å; T166-R168 VanDerWaalsContact OG1-CG 3.31Å; T166-R168 WeakPolarHBondContact OG1-CG 3.35Å; T166-R168 PolarHBondContact OG1-N 3.37Å; R168-V170 VanDerWaalsContact NH1-CG1 3.31Å; R168-E174 IonicContact CZ-OE1 3.79Å; R168-E174 IonicContact NH1-OE1 3.26Å; R168-E174 PolarHBondContact NH1-OE1 3.37Å; R168-E174 IonicContact NH1-OE2 3.32Å; R168-E174 IonicContact NH2-OE1 3.77Å; R168-E174 PolarHBondContact NH2-OE1 3.2Å; R168-E174 VanDerWaalsContact NH2-OE1 3.16Å
169T96.8Very high94.8Very high47 Ų4733.6 Ų33.629%0.28817%0.174SC..  trans-99.1150.8175.659.40000111.6L109 I131 F132L109-T169 HydrophobicContact CD2-CG2 3.61Å; I131-T169 HydrophobicContact CD1-CG2 4.23Å; F132-T169 CarbonylContact O-C 3.6Å; F132-T169 WeakPolarHBondContact O-CA 3.29Å
170V96Very high94.9Very high1 Ų131 Ų311%0.00616%0.16CC..EExtended strand (participates in β ladder)trans-117.4144174.3-60.80000109.7I131 F132 L163 R168 E174 A175 L178 L180I131-V170 VanDerWaalsContact CA-O 3.31Å; I131-V170 WeakPolarHBondContact CA-O 3.45Å; F132-V170 HydrophobicContact CB-CG2 3.84Å; F132-V170 HydrophobicContact CD2-CG2 4.39Å; F132-V170 PolarHBondContact N-O 3.21Å; F132-V170 PolarHBondContact O-N 3.39Å; L163-V170 HydrophobicContact CD1-CG1 4.5Å; L163-V170 HydrophobicContact CD2-CG1 3.64Å; R168-V170 VanDerWaalsContact NH1-CG1 3.31Å; V170-E174 HydrophobicContact CB-CB 4.07Å; V170-E174 HydrophobicContact CB-CG 4Å; V170-E174 HydrophobicContact CG1-CG 3.91Å; V170-E174 WeakPolarHBondContact CG1-OE1 3.08Å; V170-A175 HydrophobicContact CG2-CB 3.98Å; V170-L178 HydrophobicContact CG1-CD1 4.3Å; V170-L180 HydrophobicContact CG2-CD2 4.23Å
171N93.7Very high94.9Very high53 Ų5331.1 Ų31.128%0.28316%0.16SC..EExtended strand (participates in β ladder)trans-80.5173.217163.113.8000110.4A173 E174 A175N171-A173 VanDerWaalsContact C-N 3.33Å; N171-A173 PolarHBondContact O-N 3.06Å; N171-E174 PolarHBondContact O-N 3.29Å; N171-E174 VanDerWaalsContact OD1-CB 3.32Å; N171-E174 WeakPolarHBondContact OD1-CB 3.24Å; N171-E174 PolarHBondContact OD1-N 3.13Å; N171-A175 WeakPolarHBondContact O-CB 3.14Å; N171-A175 PolarHBondContact O-N 2.82Å
172V93.7Very high94.7Very high0 Ų031.3 Ų31.30%016%0.161CC..Hα-helixtrans-57.7-42.5-177.9175.70000112.6A124 N126 T130 F132 E174 A175 K176 V184A124-V172 HydrophobicContact CB-CG1 4.09Å; A124-V172 HydrophobicContact CB-CG2 4.17Å; N126-V172 HydrophobicContact CB-CB 4.35Å; N126-V172 HydrophobicContact CB-CG1 4.07Å; T130-V172 HydrophobicContact CG2-CG2 3.46Å; T130-V172 VanDerWaalsContact CG2-CG2 3.46Å; F132-V172 HydrophobicContact CE2-CG2 3.86Å; F132-V172 HydrophobicContact CZ-CG2 4.45Å; V172-E174 PolarHBondContact O-N 3.08Å; V172-A175 PolarHBondContact O-N 3.27Å; V172-K176 WeakPolarHBondContact O-CB 3.35Å; V172-K176 PolarHBondContact O-N 3.28Å; V172-V184 HydrophobicContact CG1-CB 4.28Å; V172-V184 HydrophobicContact CG1-CG1 3.65Å; V172-V184 HydrophobicContact CG1-CG2 3.65Å
173A90.3Very high94.6Very high63 Ų6331.4 Ų31.452%0.52116%0.162SC..Hα-helixtrans-61.3-44.8178.500000112.7N171 R177N171-A173 VanDerWaalsContact C-N 3.33Å; N171-A173 PolarHBondContact O-N 3.06Å; A173-R177 PolarHBondContact O-N 3.32Å; A173-R177 VanDerWaalsContact O-N 3.16Å
174E92.6Very high94.3Very high34 Ų3433.3 Ų33.316%0.15917%0.173CC..Hα-helixtrans-69.2-40.4175.6-176.4179177.200111.4R168 V170 N171 V172 K176 R177 L178R168-E174 IonicContact CZ-OE1 3.79Å; R168-E174 IonicContact NH1-OE1 3.26Å; R168-E174 PolarHBondContact NH1-OE1 3.37Å; R168-E174 IonicContact NH1-OE2 3.32Å; R168-E174 IonicContact NH2-OE1 3.77Å; R168-E174 PolarHBondContact NH2-OE1 3.2Å; R168-E174 VanDerWaalsContact NH2-OE1 3.16Å; V170-E174 HydrophobicContact CB-CB 4.07Å; V170-E174 HydrophobicContact CB-CG 4Å; V170-E174 HydrophobicContact CG1-CG 3.91Å; V170-E174 WeakPolarHBondContact CG1-OE1 3.08Å; N171-E174 PolarHBondContact O-N 3.29Å; N171-E174 VanDerWaalsContact OD1-CB 3.32Å; N171-E174 WeakPolarHBondContact OD1-CB 3.24Å; N171-E174 PolarHBondContact OD1-N 3.13Å; V172-E174 PolarHBondContact O-N 3.08Å; E174-K176 PolarHBondContact O-N 2.82Å; E174-R177 PolarHBondContact O-N 3.08Å; E174-L178 HydrophobicContact CG-CD1 4.06Å; E174-L178 HydrophobicContact CG-CG 4.39Å; E174-L178 WeakPolarHBondContact O-CG 3.35Å; E174-L178 PolarHBondContact O-N 2.74Å
175A95.7Very high93.9Very high0 Ų034.9 Ų34.90%018%0.181CC..Hα-helixtrans-59.8-43.5176.600000112F132 V170 N171 V172 L178 G179 L180 V181F132-A175 HydrophobicContact CD2-CB 3.61Å; F132-A175 HydrophobicContact CE2-CB 3.89Å; F132-A175 HydrophobicContact CG-CB 4.29Å; V170-A175 HydrophobicContact CG2-CB 3.98Å; N171-A175 WeakPolarHBondContact O-CB 3.14Å; N171-A175 PolarHBondContact O-N 2.82Å; V172-A175 PolarHBondContact O-N 3.27Å; A175-L178 PolarHBondContact O-N 3.3Å; A175-G179 PolarHBondContact O-N 2.66Å; A175-L180 HydrophobicContact CB-CB 4.14Å; A175-L180 HydrophobicContact CB-CD2 4.28Å; A175-L180 WeakPolarHBondContact O-CB 3.33Å; A175-L180 PolarHBondContact O-N 3.46Å; A175-V181 HydrophobicContact CB-CB 4.27Å; A175-V181 HydrophobicContact CB-CG2 3.74Å; A175-V181 PolarHBondContact O-N 3.44Å
176K93.3Very high93.4Very high98 Ų9839.3 Ų39.343%0.42620%0.201SC..Hα-helixtrans-62.8-43.5174.7177.756.8176.7171.50111.8V172 E174 L178 G179 V181 D182 V184V172-K176 WeakPolarHBondContact O-CB 3.35Å; V172-K176 PolarHBondContact O-N 3.28Å; E174-K176 PolarHBondContact O-N 2.82Å; K176-L178 VanDerWaalsContact C-N 3.34Å; K176-L178 PolarHBondContact O-N 3.47Å; K176-G179 PolarHBondContact O-N 2.94Å; K176-G179 VanDerWaalsContact O-N 3.16Å; K176-V181 WeakPolarHBondContact CD-O 3.47Å; K176-D182 PolarHBondContact NZ-O 3.42Å; K176-V184 HydrophobicContact CB-CG2 3.95Å; K176-V184 HydrophobicContact CD-CG2 4.25Å; K176-V184 HydrophobicContact CG-CG2 4.03Å
177R90.3Very high92.5Very high146 Ų14639.3 Ų39.355%0.55120%0.202SC*.Hα-helixtrans-62.7-39.1177.5-175-170.166.686.12.3112.6A173 E174 G179A173-R177 PolarHBondContact O-N 3.32Å; A173-R177 VanDerWaalsContact O-N 3.16Å; E174-R177 PolarHBondContact O-N 3.08Å; R177-G179 PolarHBondContact O-N 3.01Å
178L91.8Very high91.3Very high8 Ų843.4 Ų43.44%0.04222%0.224CC..Hα-helixtrans-73-14.9177.9-69.6173.9000112.7I155 D159 L163 V170 E174 A175 K176I155-L178 WeakPolarHBondContact CA-O 3.44Å; I155-L178 HydrophobicContact CB-CB 4.28Å; I155-L178 WeakPolarHBondContact CB-O 3.34Å; I155-L178 HydrophobicContact CD1-CB 4.42Å; I155-L178 HydrophobicContact CD1-CD1 4.33Å; I155-L178 HydrophobicContact CG2-CB 4.18Å; I155-L178 WeakPolarHBondContact CG2-O 3.37Å; D159-L178 HydrophobicContact CB-CD2 3.98Å; L163-L178 HydrophobicContact CD1-CD1 4.31Å; V170-L178 HydrophobicContact CG1-CD1 4.3Å; E174-L178 HydrophobicContact CG-CD1 4.06Å; E174-L178 HydrophobicContact CG-CG 4.39Å; E174-L178 WeakPolarHBondContact O-CG 3.35Å; E174-L178 PolarHBondContact O-N 2.74Å; A175-L178 PolarHBondContact O-N 3.3Å; K176-L178 VanDerWaalsContact C-N 3.34Å; K176-L178 PolarHBondContact O-N 3.47Å
179G91.7Very high89.5Confident13 Ų1347.7 Ų47.713%0.13425%0.246CC..THydrogen-bonded Turntrans81.516.3-171.300000113.7A175 K176 R177A175-G179 PolarHBondContact O-N 2.66Å; K176-G179 PolarHBondContact O-N 2.94Å; K176-G179 VanDerWaalsContact O-N 3.16Å; R177-G179 PolarHBondContact O-N 3.01Å
180L95.1Very high87.5Confident1 Ų152.1 Ų52.11%0.00528%0.276CS..SBendtrans-77.3-34.5174.5-174.357.4000111.8L113 L117 R122 F132 L151 L154 I155 V170 A175L113-L180 HydrophobicContact CD1-CD1 4.06Å; L113-L180 HydrophobicContact CD1-CD2 4.26Å; L113-L180 HydrophobicContact CD1-CG 4.4Å; L113-L180 HydrophobicContact CD2-CD2 4.31Å; L117-L180 HydrophobicContact CD2-CD1 3.76Å; R122-L180 WeakPolarHBondContact CD-O 3.36Å; R122-L180 PolarHBondContact NE-O 3.39Å; F132-L180 HydrophobicContact CB-CD2 3.66Å; F132-L180 HydrophobicContact CD1-CD2 4.5Å; F132-L180 HydrophobicContact CG-CD2 4.12Å; L151-L180 HydrophobicContact CD1-CD1 3.62Å; L154-L180 HydrophobicContact CD2-CD1 4.02Å; I155-L180 HydrophobicContact CG2-CB 3.93Å; I155-L180 HydrophobicContact CG2-CD1 4.41Å; V170-L180 HydrophobicContact CG2-CD2 4.23Å; A175-L180 HydrophobicContact CB-CB 4.14Å; A175-L180 HydrophobicContact CB-CD2 4.28Å; A175-L180 WeakPolarHBondContact O-CB 3.33Å; A175-L180 PolarHBondContact O-N 3.46Å
181V95.5Very high85.2Confident1 Ų155.7 Ų55.71%0.00631%0.313CS..  trans-112.8132.6175.9167.30000109.2A124 F132 A175 K176 L183 V184A124-V181 HydrophobicContact CB-CB 4.43Å; A124-V181 HydrophobicContact CB-CG1 3.67Å; A124-V181 HydrophobicContact CB-CG2 3.83Å; F132-V181 HydrophobicContact CE1-CG2 3.85Å; F132-V181 HydrophobicContact CE2-CG2 3.89Å; F132-V181 HydrophobicContact CZ-CG2 3.51Å; A175-V181 HydrophobicContact CB-CB 4.27Å; A175-V181 HydrophobicContact CB-CG2 3.74Å; A175-V181 PolarHBondContact O-N 3.44Å; K176-V181 WeakPolarHBondContact CD-O 3.47Å; V181-L183 VanDerWaalsContact CG1-O 3.23Å; V181-L183 WeakPolarHBondContact CG1-O 3.44Å; V181-V184 HydrophobicContact CG1-CG2 3.92Å
182D93.2Very high83.2Confident5 Ų558.7 Ų58.73%0.02733%0.328CS..SBendtrans-93.6-36.7-174.6-52.8-68.6000112.3Y121 R122 K176 M222Y121-D182 WeakPolarHBondContact CA-OD2 3.39Å; Y121-D182 HydrophobicContact CD1-CB 3.9Å; Y121-D182 HydrophobicContact CD2-CB 3.77Å; Y121-D182 HydrophobicContact CE1-CB 3.55Å; Y121-D182 HydrophobicContact CE2-CB 3.4Å; Y121-D182 HydrophobicContact CG-CB 4Å; R122-D182 IonicContact CZ-OD2 2.64Å; R122-D182 VanDerWaalsContact CZ-OD2 3.26Å; R122-D182 PolarHBondContact N-OD2 3.05Å; R122-D182 IonicContact NE-OD2 3.03Å; R122-D182 PolarHBondContact NE-OD2 3.37Å; R122-D182 IonicContact NH2-OD1 3.42Å; R122-D182 PolarHBondContact NH2-OD1 3.47Å; R122-D182 IonicContact NH2-OD2 3.03Å; R122-D182 PolarHBondContact NH2-OD2 3.34Å; R122-D182 PolarHBondContact O-N 2.93Å; K176-D182 PolarHBondContact NZ-O 3.42Å; D182-M222 HydrophobicContact CB-SD 4.47Å; D182-M222 WeakPolarHBondContact OD1-CB 3.37Å
183L93.2Very high81.2Confident57 Ų5761.4 Ų61.430%0.29835%0.345SS..EExtended strand (participates in β ladder)trans-135140.6174.7-172.4147.3000110.8Y121 R122 I123 A124 V181 I185 V210Y121-L183 HydrophobicContact CE1-CB 3.83Å; R122-L183 PolarHBondContact O-N 2.75Å; I123-L183 CarbonylContact C-O 3.55Å; I123-L183 VanDerWaalsContact CA-O 3.32Å; I123-L183 WeakPolarHBondContact CA-O 3.45Å; I123-L183 HydrophobicContact CG1-CB 4.28Å; I123-L183 HydrophobicContact CG2-CB 4.49Å; I123-L183 HydrophobicContact CG2-CD2 3.73Å; A124-L183 PolarHBondContact N-O 3.27Å; V181-L183 VanDerWaalsContact CG1-O 3.23Å; V181-L183 WeakPolarHBondContact CG1-O 3.44Å; L183-I185 HydrophobicContact CD2-CG1 3.88Å; L183-V210 HydrophobicContact CD1-CG2 4.15Å
184V92.2Very high79.7Confident40 Ų4064.3 Ų64.324%0.24236%0.362CS..EExtended strand (participates in β ladder)trans-112.7130.5178.6178.90000108.8A124 N126 V172 K176 V181A124-V184 CarbonylContact O-C 3.52Å; A124-V184 WeakPolarHBondContact O-CA 3.41Å; N126-V184 HydrophobicContact CB-CG1 3.76Å; V172-V184 HydrophobicContact CG1-CB 4.28Å; V172-V184 HydrophobicContact CG1-CG1 3.65Å; V172-V184 HydrophobicContact CG1-CG2 3.65Å; K176-V184 HydrophobicContact CB-CG2 3.95Å; K176-V184 HydrophobicContact CD-CG2 4.25Å; K176-V184 HydrophobicContact CG-CG2 4.03Å; V181-V184 HydrophobicContact CG1-CG2 3.92Å
185I90.7Very high78.7Confident32 Ų3266.4 Ų66.416%0.16437%0.374CS..EExtended strand (participates in β ladder)trans-100.4117.8168.7-61.4178.5000106.6I123 A124 V125 N126 L183 M199 L203I123-I185 HydrophobicContact CG2-CD1 3.72Å; I123-I185 HydrophobicContact CG2-CG1 3.87Å; A124-I185 PolarHBondContact O-N 3.21Å; V125-I185 CarbonylContact C-O 3.44Å; V125-I185 WeakPolarHBondContact CA-O 3.26Å; V125-I185 HydrophobicContact CG2-CB 4.49Å; N126-I185 PolarHBondContact N-O 2.73Å; L183-I185 HydrophobicContact CD2-CG1 3.88Å; I185-M199 HydrophobicContact CG2-CE 4.39Å; I185-L203 HydrophobicContact CD1-CD1 3.82Å
186E87.1Confident77.8Confident119 Ų11969.9 Ų69.956%0.55639%0.39SS*.PPolyproline II helixtrans-74.7132.8170.7-64.3-59.2152.400108.9N126N126-E186 WeakPolarHBondContact CB-OE2 3.42Å; N126-E186 PolarHBondContact ND2-OE1 2.78Å; N126-E186 PolarHBondContact ND2-OE2 3.07Å
187P77.3Confident77.2Confident47 Ų4769.3 Ų69.331%0.30539%0.392SS..PPolyproline II helixtrans-55.8148.6168.6-20.431.2000110.8V125 N126 T127 M199V125-P187 HydrophobicContact CG1-CG 4.1Å; N126-P187 VanDerWaalsContact O-CD 3.27Å; N126-P187 WeakPolarHBondContact O-CD 3.44Å; N126-P187 VanDerWaalsContact O-CG 3.22Å; N126-P187 WeakPolarHBondContact O-CG 3.47Å; T127-P187 HydrophobicContact CG2-CG 4.03Å; P187-M199 HydrophobicContact CB-CE 4.26Å; P187-M199 HydrophobicContact CB-SD 4.44Å
188L71.3Confident76.9Confident87 Ų8765.4 Ų65.446%0.45538%0.379SS..PPolyproline II helixtrans-57.4147.8164.1-65.5178.1000109.2L192 F198L188-L192 HydrophobicContact CB-CB 4.22Å; L188-L192 HydrophobicContact CB-CD1 4.22Å; L188-F198 HydrophobicContact CD1-CD1 4.4Å; L188-F198 HydrophobicContact CD1-CE1 3.48Å; L188-F198 VanDerWaalsContact CD1-CE1 3.48Å; L188-F198 HydrophobicContact CD1-CZ 4.07Å; L188-F198 HydrophobicContact CG-CE1 4.45Å
189E58.5Low76.5Confident149 Ų14965.9 Ų65.970%0.69638%0.381SS*.PPolyproline II helixtrans-51.6146.6-174.1-63.7-176.416000112.3G191 L192E189-G191 PolarHBondContact O-N 3.27Å; E189-L192 HydrophobicContact CB-CD1 3.93Å; E189-L192 HydrophobicContact CG-CD1 4.5Å; E189-L192 PolarHBondContact O-N 2.95Å; E189-L192 VanDerWaalsContact O-N 3.11Å
190P53.9Low76.3Confident140 Ų14065.6 Ų65.691%0.90938%0.377SS*.THydrogen-bonded Turntrans-52.4116.9175.3-21.631000110.7
191G48.2Very low76Confident77 Ų7769.6 Ų69.679%0.79440%0.398SS*.THydrogen-bonded Turntrans113.8-18.1179.200000115.3E189E189-G191 PolarHBondContact O-N 3.27Å
192L52.4Low75.6Confident115 Ų11573.7 Ų73.760%0.60242%0.417SS*.THydrogen-bonded Turntrans-72.8-45.2174.9-79.9157.2000111.4L188 E189L188-L192 HydrophobicContact CB-CB 4.22Å; L188-L192 HydrophobicContact CB-CD1 4.22Å; E189-L192 HydrophobicContact CB-CD1 3.93Å; E189-L192 HydrophobicContact CG-CD1 4.5Å; E189-L192 PolarHBondContact O-N 2.95Å; E189-L192 VanDerWaalsContact O-N 3.11Å
193T52Low75.6Confident57 Ų5773.7 Ų73.735%0.3542%0.417SS..  trans-149.1133.2163.571.50000109F198T193-F198 HydrophobicContact CG2-CD1 4.39Å; T193-F198 HydrophobicContact CG2-CG 4.43Å
194S57.7Low75.6Confident125 Ų12572 Ų7287%0.87441%0.408SS*.  trans-89.16.316561.20000111.8E196S194-E196 PolarHBondContact O-N 2.9Å
195D71.7Confident75.6Confident78 Ų7873 Ų7342%0.41742%0.416SS..  trans-81101.5-174.6-173.55.6000110N197 F198D195-N197 PolarHBondContact O-N 3.21Å; D195-N197 VanDerWaalsContact O-N 3.15Å; D195-N197 VanDerWaalsContact OD1-CB 3.26Å; D195-N197 WeakPolarHBondContact OD1-CB 3.11Å; D195-N197 PolarHBondContact OD1-N 3.18Å; D195-N197 PolarHBondContact OD1-ND2 3.39Å; D195-F198 HydrophobicContact CB-CB 4.08Å; D195-F198 WeakPolarHBondContact O-CB 3.2Å; D195-F198 PolarHBondContact O-N 3.16Å; D195-F198 VanDerWaalsContact O-N 3.09Å
196E77.6Confident75.7Confident72 Ų7272.5 Ų72.534%0.33642%0.42SS..Hα-helixtrans-60-23.5176.9-53.3-175.6145.500111.8P58 N59 M105 K129 S194 M199 V200P58-E196 HydrophobicContact CB-CB 3.4Å; P58-E196 HydrophobicContact CB-CG 4.43Å; P58-E196 HydrophobicContact CG-CB 4.11Å; N59-E196 PolarHBondContact ND2-OE1 2.96Å; N59-E196 PolarHBondContact ND2-OE2 2.88Å; M105-E196 HydrophobicContact CE-CB 4.33Å; K129-E196 IonicContact NZ-OE1 2.66Å; K129-E196 PolarHBondContact NZ-OE1 2.75Å; S194-E196 PolarHBondContact O-N 2.9Å; E196-M199 PolarHBondContact O-N 3.45Å; E196-V200 WeakPolarHBondContact O-CG2 3.48Å; E196-V200 PolarHBondContact O-N 3.46Å
197N80.6Confident76Confident87 Ų8766.9 Ų66.947%0.46539%0.393SS..Hα-helixtrans-73.7-34.2176.3-57.2-63.8000112.5D195 M199 V200 N201D195-N197 PolarHBondContact O-N 3.21Å; D195-N197 VanDerWaalsContact O-N 3.15Å; D195-N197 VanDerWaalsContact OD1-CB 3.26Å; D195-N197 WeakPolarHBondContact OD1-CB 3.11Å; D195-N197 PolarHBondContact OD1-N 3.18Å; D195-N197 PolarHBondContact OD1-ND2 3.39Å; N197-M199 VanDerWaalsContact C-N 3.28Å; N197-M199 PolarHBondContact O-N 3.43Å; N197-V200 WeakPolarHBondContact O-CB 3.32Å; N197-V200 PolarHBondContact O-N 2.81Å; N197-N201 PolarHBondContact O-N 2.85Å; N197-N201 VanDerWaalsContact O-N 3.1Å
198F83.3Confident76.9Confident64 Ų6464.7 Ų64.728%0.28138%0.379SS..Hα-helixtrans-58.1-45.4173.1176.9-92.1000110.3L188 T193 D195 V200 N201 E202L188-F198 HydrophobicContact CD1-CD1 4.4Å; L188-F198 HydrophobicContact CD1-CE1 3.48Å; L188-F198 VanDerWaalsContact CD1-CE1 3.48Å; L188-F198 HydrophobicContact CD1-CZ 4.07Å; L188-F198 HydrophobicContact CG-CE1 4.45Å; T193-F198 HydrophobicContact CG2-CD1 4.39Å; T193-F198 HydrophobicContact CG2-CG 4.43Å; D195-F198 HydrophobicContact CB-CB 4.08Å; D195-F198 WeakPolarHBondContact O-CB 3.2Å; D195-F198 PolarHBondContact O-N 3.16Å; D195-F198 VanDerWaalsContact O-N 3.09Å; F198-V200 VanDerWaalsContact C-N 3.29Å; F198-V200 PolarHBondContact O-N 3.31Å; F198-N201 WeakPolarHBondContact O-CB 2.96Å; F198-N201 PolarHBondContact O-N 2.8Å; F198-E202 HydrophobicContact CD1-CG 4.02Å; F198-E202 HydrophobicContact CE1-CG 3.4Å; F198-E202 VanDerWaalsContact CE1-CG 3.4Å; F198-E202 HydrophobicContact CE2-CG 4.39Å; F198-E202 HydrophobicContact CZ-CG 3.63Å; F198-E202 PolarHBondContact O-N 3.16Å
199M83.8Confident77.9Confident17 Ų1767.1 Ų67.18%0.08439%0.386CS..Hα-helixtrans-63.8-31.7177.3-71.5-54.1-50.900113.5M105 V125 I185 P187 E196 N197 L203M105-M199 HydrophobicContact CE-CB 3.92Å; M105-M199 HydrophobicContact SD-CB 4.03Å; V125-M199 HydrophobicContact CG1-CE 3.62Å; I185-M199 HydrophobicContact CG2-CE 4.39Å; P187-M199 HydrophobicContact CB-CE 4.26Å; P187-M199 HydrophobicContact CB-SD 4.44Å; E196-M199 PolarHBondContact O-N 3.45Å; N197-M199 VanDerWaalsContact C-N 3.28Å; N197-M199 PolarHBondContact O-N 3.43Å; M199-L203 WeakPolarHBondContact O-CB 3.37Å; M199-L203 PolarHBondContact O-N 3.23Å
200V87.3Confident79.5Confident7 Ų760.3 Ų60.34%0.04235%0.354CS..Hα-helixtrans-65.1-41.2172.51730000110.8P58 M105 E196 N197 F198 L203 E204P58-V200 HydrophobicContact CB-CG2 4.37Å; M105-V200 HydrophobicContact SD-CG2 3.86Å; E196-V200 WeakPolarHBondContact O-CG2 3.48Å; E196-V200 PolarHBondContact O-N 3.46Å; N197-V200 WeakPolarHBondContact O-CB 3.32Å; N197-V200 PolarHBondContact O-N 2.81Å; F198-V200 VanDerWaalsContact C-N 3.29Å; F198-V200 PolarHBondContact O-N 3.31Å; V200-L203 PolarHBondContact O-N 2.66Å; V200-E204 WeakPolarHBondContact O-CB 3.46Å; V200-E204 PolarHBondContact O-N 2.88Å
201N88.2Confident81.4Confident85 Ų8553.6 Ų53.646%0.45531%0.311SS..Hα-helixtrans-69.2-38178-65.9-25.2000112.4N197 F198 E204 S205N197-N201 PolarHBondContact O-N 2.85Å; N197-N201 VanDerWaalsContact O-N 3.1Å; F198-N201 WeakPolarHBondContact O-CB 2.96Å; F198-N201 PolarHBondContact O-N 2.8Å; N201-E204 PolarHBondContact O-N 2.78Å; N201-S205 WeakPolarHBondContact O-CB 3.33Å; N201-S205 PolarHBondContact O-N 2.84Å; N201-S205 PolarHBondContact O-OG 3.44Å
202E87.5Confident83.5Confident88 Ų8854 Ų5441%0.41129%0.289SS..Hα-helixtrans-64.7-43.2172.8-76.1-58121.600111.6F198 E204 S205 G206F198-E202 HydrophobicContact CD1-CG 4.02Å; F198-E202 HydrophobicContact CE1-CG 3.4Å; F198-E202 VanDerWaalsContact CE1-CG 3.4Å; F198-E202 HydrophobicContact CE2-CG 4.39Å; F198-E202 HydrophobicContact CZ-CG 3.63Å; F198-E202 PolarHBondContact O-N 3.16Å; E202-E204 VanDerWaalsContact C-N 3.32Å; E202-E204 PolarHBondContact O-N 3.03Å; E202-S205 PolarHBondContact O-N 2.64Å; E202-G206 PolarHBondContact O-N 3.37Å
203L92.7Very high85.3Confident5 Ų551.8 Ų51.83%0.02628%0.275CS..Hα-helixtrans-59-45.1173.6174.461.4000111.1M105 I123 V125 I185 M199 V200 S207M105-L203 HydrophobicContact CB-CD2 3.86Å; I123-L203 HydrophobicContact CB-CD1 4.43Å; I123-L203 HydrophobicContact CG2-CD1 3.91Å; V125-L203 HydrophobicContact CG2-CB 3.91Å; V125-L203 HydrophobicContact CG2-CD1 3.9Å; V125-L203 HydrophobicContact CG2-CD2 3.94Å; V125-L203 HydrophobicContact CG2-CG 4.11Å; I185-L203 HydrophobicContact CD1-CD1 3.82Å; M199-L203 WeakPolarHBondContact O-CB 3.37Å; M199-L203 PolarHBondContact O-N 3.23Å; V200-L203 PolarHBondContact O-N 2.66Å; L203-S207 WeakPolarHBondContact O-CB 3.43Å; L203-S207 PolarHBondContact O-N 3.49Å; L203-S207 PolarHBondContact O-OG 3.46Å
204E94.6Very high87Confident22 Ų2249.9 Ų49.910%0.10326%0.263CS..Hα-helixtrans-60.3-51.6177.4-173.8172.7150.100111.1Y7 I14 K16 L52 L54 V200 N201 E202 G206 S207 V208Y7-E204 WeakPolarHBondContact CE2-OE1 3.47Å; Y7-E204 PolarHBondContact OH-OE1 2.82Å; Y7-E204 PolarHBondContact OH-OE2 3.17Å; I14-E204 HydrophobicContact CD1-CG 4.3Å; K16-E204 IonicContact NZ-OE2 3.88Å; K16-E204 PolarHBondContact NZ-OE2 2.88Å; L52-E204 HydrophobicContact CD2-CG 4.43Å; L54-E204 HydrophobicContact CD2-CG 4.2Å; V200-E204 WeakPolarHBondContact O-CB 3.46Å; V200-E204 PolarHBondContact O-N 2.88Å; N201-E204 PolarHBondContact O-N 2.78Å; E202-E204 VanDerWaalsContact C-N 3.32Å; E202-E204 PolarHBondContact O-N 3.03Å; E204-G206 PolarHBondContact O-N 2.98Å; E204-S207 PolarHBondContact O-N 3.35Å; E204-V208 WeakPolarHBondContact O-CG2 3.37Å; E204-V208 PolarHBondContact O-N 2.91Å
205S91.9Very high88.5Confident59 Ų5947.1 Ų47.141%0.41324%0.238SC..Hα-helixtrans-62.3-44.7-179.4-60.50000112.5N201 E202 V208 K209N201-S205 WeakPolarHBondContact O-CB 3.33Å; N201-S205 PolarHBondContact O-N 2.84Å; N201-S205 PolarHBondContact O-OG 3.44Å; E202-S205 PolarHBondContact O-N 2.64Å; S205-V208 PolarHBondContact O-N 3.26Å; S205-K209 PolarHBondContact O-N 3.49Å
206G91.3Very high89.3Confident23 Ų2347.5 Ų47.524%0.23724%0.243CC..Hα-helixtrans-63.9-39.9175.500000112.2E202 E204 K209 V210E202-G206 PolarHBondContact O-N 3.37Å; E204-G206 PolarHBondContact O-N 2.98Å; G206-K209 WeakPolarHBondContact O-CB 3.26Å; G206-K209 PolarHBondContact O-N 3.3Å; G206-V210 PolarHBondContact O-N 3.17Å; G206-V210 VanDerWaalsContact O-N 3.17Å
207S94.8Very high89.2Confident0 Ų047.8 Ų47.80%026%0.257CS..Hα-helixtrans-70.2-36.6179.2-57.40000112.8L52 I123 L203 E204 K209 V210 V211L52-S207 VanDerWaalsContact CD1-CB 3.46Å; I123-S207 WeakPolarHBondContact CD1-OG 3.27Å; L203-S207 WeakPolarHBondContact O-CB 3.43Å; L203-S207 PolarHBondContact O-N 3.49Å; L203-S207 PolarHBondContact O-OG 3.46Å; E204-S207 PolarHBondContact O-N 3.35Å; S207-K209 VanDerWaalsContact C-N 3.29Å; S207-K209 PolarHBondContact O-N 3.11Å; S207-V210 PolarHBondContact O-N 2.96Å; S207-V211 WeakPolarHBondContact O-CG2 3.48Å; S207-V211 PolarHBondContact O-N 3.09Å
208V95.9Very high89Confident2 Ų250 Ų501%0.01227%0.265CS..Hα-helixtrans-59.8-40.7172.7167.40000111N9 V12 I14 L52 E204 S205 V211 R212N9-V208 HydrophobicContact CB-CG2 4.44Å; V12-V208 HydrophobicContact CB-CG1 4.43Å; V12-V208 HydrophobicContact CG1-CG2 4.27Å; V12-V208 HydrophobicContact CG2-CG1 4.1Å; I14-V208 HydrophobicContact CD1-CG2 4.12Å; L52-V208 HydrophobicContact CD2-CG2 4.11Å; E204-V208 WeakPolarHBondContact O-CG2 3.37Å; E204-V208 PolarHBondContact O-N 2.91Å; S205-V208 PolarHBondContact O-N 3.26Å; V208-V211 PolarHBondContact O-N 3.31Å; V208-R212 WeakPolarHBondContact O-CG 3.44Å; V208-R212 PolarHBondContact O-N 3.39Å; V208-R212 VanDerWaalsContact O-N 3.09Å
209K92.9Very high88.7Confident138 Ų13849 Ų4960%0.626%0.263SS*.Hα-helixtrans-61.4-44.1174.4-67.5173.9-176.5174.80111.5S205 G206 S207 V211 R212 Q213S205-K209 PolarHBondContact O-N 3.49Å; G206-K209 WeakPolarHBondContact O-CB 3.26Å; G206-K209 PolarHBondContact O-N 3.3Å; S207-K209 VanDerWaalsContact C-N 3.29Å; S207-K209 PolarHBondContact O-N 3.11Å; K209-V211 VanDerWaalsContact C-N 3.34Å; K209-V211 PolarHBondContact O-N 3.18Å; K209-R212 WeakPolarHBondContact O-CB 3.47Å; K209-R212 PolarHBondContact O-N 3.44Å; K209-R212 VanDerWaalsContact O-N 3.15Å; K209-Q213 WeakPolarHBondContact O-CG 3.32Å; K209-Q213 PolarHBondContact O-N 3.21Å
210V91.1Very high88.1Confident5 Ų552 Ų523%0.0328%0.282CS..Hα-helixtrans-62.8-40177171.70000112Y121 I123 L183 G206 S207 R212 Q213 L214 L219Y121-V210 HydrophobicContact CD1-CG1 3.59Å; Y121-V210 HydrophobicContact CE1-CG1 3.73Å; Y121-V210 HydrophobicContact CG-CG1 4.34Å; I123-V210 HydrophobicContact CD1-CB 3.62Å; I123-V210 HydrophobicContact CD1-CG1 3.83Å; I123-V210 HydrophobicContact CD1-CG2 3.61Å; I123-V210 HydrophobicContact CG1-CG1 4.5Å; I123-V210 HydrophobicContact CG1-CG2 4.48Å; L183-V210 HydrophobicContact CD1-CG2 4.15Å; G206-V210 PolarHBondContact O-N 3.17Å; G206-V210 VanDerWaalsContact O-N 3.17Å; S207-V210 PolarHBondContact O-N 2.96Å; V210-R212 VanDerWaalsContact C-N 3.3Å; V210-R212 PolarHBondContact O-N 3.4Å; V210-Q213 PolarHBondContact O-N 2.77Å; V210-L214 HydrophobicContact CG1-CD1 4.35Å; V210-L214 WeakPolarHBondContact O-CG 3.25Å; V210-L214 PolarHBondContact O-N 3.2Å; V210-L219 HydrophobicContact CG1-CD1 3.91Å
211V92.9Very high87.2Confident0 Ų054.5 Ų54.50%030%0.298CS..Hα-helixtrans-57.6-46.3173.41750000110.2V12 L52 V101 S207 V208 K209 Q213 L214 L215V12-V211 HydrophobicContact CB-CG1 4.48Å; V12-V211 HydrophobicContact CG1-CB 4.26Å; V12-V211 HydrophobicContact CG1-CG1 4.02Å; V12-V211 HydrophobicContact CG1-CG2 4.21Å; V12-V211 HydrophobicContact CG2-CB 4.11Å; V12-V211 HydrophobicContact CG2-CG1 3.72Å; L52-V211 HydrophobicContact CB-CG2 4.38Å; V101-V211 HydrophobicContact CB-CG2 3.84Å; V101-V211 HydrophobicContact CG2-CG2 3.53Å; S207-V211 WeakPolarHBondContact O-CG2 3.48Å; S207-V211 PolarHBondContact O-N 3.09Å; V208-V211 PolarHBondContact O-N 3.31Å; K209-V211 VanDerWaalsContact C-N 3.34Å; K209-V211 PolarHBondContact O-N 3.18Å; V211-Q213 VanDerWaalsContact C-N 3.35Å; V211-Q213 PolarHBondContact O-N 3.12Å; V211-L214 WeakPolarHBondContact O-CB 3.49Å; V211-L214 PolarHBondContact O-N 2.6Å; V211-L215 HydrophobicContact CG1-CD1 4.38Å; V211-L215 WeakPolarHBondContact O-CG 3.49Å; V211-L215 PolarHBondContact O-N 2.95Å; V211-L215 VanDerWaalsContact O-N 3.08Å
212R94Very high86.1Confident85 Ų8552.6 Ų52.632%0.32129%0.287SS..Hα-helixtrans-60.5-42.1177.1-70178.3172.7133.79.1112.7E11 V12 V208 K209 V210 L214 L215 T216E11-R212 WeakPolarHBondContact OE1-CD 3.35Å; E11-R212 VanDerWaalsContact OE1-CG 3.27Å; E11-R212 WeakPolarHBondContact OE1-CG 3.31Å; E11-R212 IonicContact OE1-CZ 2.88Å; E11-R212 IonicContact OE1-NE 3.87Å; E11-R212 PolarHBondContact OE1-NE 2.62Å; E11-R212 IonicContact OE1-NH2 3.03Å; E11-R212 IonicContact OE2-CZ 2.66Å; E11-R212 IonicContact OE2-NE 3.82Å; E11-R212 PolarHBondContact OE2-NE 3.25Å; E11-R212 IonicContact OE2-NH2 3.95Å; E11-R212 PolarHBondContact OE2-NH2 3.27Å; V12-R212 HydrophobicContact CG2-CG 4.43Å; V208-R212 WeakPolarHBondContact O-CG 3.44Å; V208-R212 PolarHBondContact O-N 3.39Å; V208-R212 VanDerWaalsContact O-N 3.09Å; K209-R212 WeakPolarHBondContact O-CB 3.47Å; K209-R212 PolarHBondContact O-N 3.44Å; K209-R212 VanDerWaalsContact O-N 3.15Å; V210-R212 VanDerWaalsContact C-N 3.3Å; V210-R212 PolarHBondContact O-N 3.4Å; R212-L214 VanDerWaalsContact C-N 3.3Å; R212-L214 PolarHBondContact O-N 3.41Å; R212-L215 WeakPolarHBondContact O-CB 3.45Å; R212-L215 PolarHBondContact O-N 2.72Å; R212-T216 PolarHBondContact O-N 2.78Å; R212-T216 PolarHBondContact O-OG1 2.91Å
213Q90.1Very high84.9Confident69 Ų6952.9 Ų52.932%0.32228%0.284SS..Hα-helixtrans-65.3-31.3176.7-69.1179.2-42.800113.2K209 V210 V211 T216 A217 E218 L219K209-Q213 WeakPolarHBondContact O-CG 3.32Å; K209-Q213 PolarHBondContact O-N 3.21Å; V210-Q213 PolarHBondContact O-N 2.77Å; V211-Q213 VanDerWaalsContact C-N 3.35Å; V211-Q213 PolarHBondContact O-N 3.12Å; Q213-T216 PolarHBondContact O-OG1 2.79Å; Q213-A217 PolarHBondContact O-N 2.95Å; Q213-E218 HydrophobicContact CB-CB 4.19Å; Q213-E218 PolarHBondContact O-N 3.31Å; Q213-L219 HydrophobicContact CB-CB 4.34Å; Q213-L219 HydrophobicContact CB-CD1 3.79Å; Q213-L219 HydrophobicContact CB-CG 3.9Å; Q213-L219 PolarHBondContact O-N 3.47Å
214L87.8Confident83.3Confident17 Ų1756.3 Ų56.39%0.08931%0.309CS..Hα-helixtrans-70-34.2171.1-70.7167.2000111.6P99 V101 Y121 V210 V211 R212 A217 L219 P221P99-L214 HydrophobicContact CB-CB 4.22Å; P99-L214 HydrophobicContact CB-CD1 4.25Å; P99-L214 HydrophobicContact CG-CB 4.38Å; V101-L214 HydrophobicContact CG2-CD1 3.53Å; Y121-L214 HydrophobicContact CG-CD1 4.46Å; V210-L214 HydrophobicContact CG1-CD1 4.35Å; V210-L214 WeakPolarHBondContact O-CG 3.25Å; V210-L214 PolarHBondContact O-N 3.2Å; V211-L214 WeakPolarHBondContact O-CB 3.49Å; V211-L214 PolarHBondContact O-N 2.6Å; R212-L214 VanDerWaalsContact C-N 3.3Å; R212-L214 PolarHBondContact O-N 3.41Å; L214-A217 PolarHBondContact O-N 2.83Å; L214-L219 HydrophobicContact CD2-CB 3.66Å; L214-L219 HydrophobicContact CG-CB 4.11Å; L214-P221 HydrophobicContact CD2-CG 4.32Å
215L89.1Confident81.5Confident66 Ų6657.1 Ų57.135%0.34632%0.317SS..Hα-helixtrans-70.7-35.6176.9-64.4172.9000112.5E11 K49 P99 V211 R212 A217E11-L215 HydrophobicContact CG-CD1 4.21Å; K49-L215 HydrophobicContact CB-CD1 3.67Å; K49-L215 HydrophobicContact CB-CD2 4.01Å; K49-L215 WeakPolarHBondContact O-CD2 3.29Å; P99-L215 HydrophobicContact CG-CD2 3.61Å; P99-L215 HydrophobicContact CG-CG 4.27Å; V211-L215 HydrophobicContact CG1-CD1 4.38Å; V211-L215 WeakPolarHBondContact O-CG 3.49Å; V211-L215 PolarHBondContact O-N 2.95Å; V211-L215 VanDerWaalsContact O-N 3.08Å; R212-L215 WeakPolarHBondContact O-CB 3.45Å; R212-L215 PolarHBondContact O-N 2.72Å; L215-A217 VanDerWaalsContact C-N 3.25Å; L215-A217 PolarHBondContact O-N 3.28Å
216T86.9Confident79.5Confident87 Ų8762.4 Ų62.453%0.53433%0.328SS..THydrogen-bonded Turntrans-83.30.8175.860.60000113.4R212 Q213 E218R212-T216 PolarHBondContact O-N 2.78Å; R212-T216 PolarHBondContact O-OG1 2.91Å; Q213-T216 PolarHBondContact O-OG1 2.79Å; T216-E218 PolarHBondContact O-N 3.01Å; T216-E218 WeakPolarHBondContact OG1-CG 3.46Å; T216-E218 PolarHBondContact OG1-OE1 3.25Å
217A77Confident77.6Confident77 Ų7767.4 Ų67.464%0.63634%0.343SS*.THydrogen-bonded Turntrans59.716.2-174.800000115.2Q213 L214 L215 L219Q213-A217 PolarHBondContact O-N 2.95Å; L214-A217 PolarHBondContact O-N 2.83Å; L215-A217 VanDerWaalsContact C-N 3.25Å; L215-A217 PolarHBondContact O-N 3.28Å; A217-L219 PolarHBondContact O-N 3.4Å
218E75.5Confident75.3Confident133 Ų13372.6 Ų72.662%0.62138%0.377SS*.SBendtrans-63.1-32.4167.1-74.9169.8-139.400111.4Q213 T216Q213-E218 HydrophobicContact CB-CB 4.19Å; Q213-E218 PolarHBondContact O-N 3.31Å; T216-E218 PolarHBondContact O-N 3.01Å; T216-E218 WeakPolarHBondContact OG1-CG 3.46Å; T216-E218 PolarHBondContact OG1-OE1 3.25Å
219L77.4Confident73.1Confident45 Ų4578.7 Ų78.724%0.23640%0.403CS..SBendtrans-114.4150.9169.8-68.3178.5000109.9V210 Q213 L214 A217V210-L219 HydrophobicContact CG1-CD1 3.91Å; Q213-L219 HydrophobicContact CB-CB 4.34Å; Q213-L219 HydrophobicContact CB-CD1 3.79Å; Q213-L219 HydrophobicContact CB-CG 3.9Å; Q213-L219 PolarHBondContact O-N 3.47Å; L214-L219 HydrophobicContact CD2-CB 3.66Å; L214-L219 HydrophobicContact CG-CB 4.11Å; A217-L219 PolarHBondContact O-N 3.4Å
220V72.4Confident71.3Confident79 Ų7976.9 Ų76.948%0.47940%0.4SS..  trans-113.8137.4175.2-175.70000108.8M222V220-M222 PolarHBondContact O-N 2.89Å
221P67.4Low69.6Low60 Ų6083.4 Ų83.439%0.3943%0.434SS..  trans-50.2133.8173.2-29.636.3000112.8D120 L214D120-P221 HydrophobicContact CB-CB 4.09Å; L214-P221 HydrophobicContact CD2-CG 4.32Å
222M65.6Low68.1Low44 Ų4488.7 Ų88.722%0.21746%0.46CS..  trans-110.183.2-178.8-72-171.159.400109.6D120 Y121 R122 D182 V220D120-M222 PolarHBondContact O-N 3.38Å; Y121-M222 HydrophobicContact CE2-CG 4.35Å; Y121-M222 HydrophobicContact CE2-SD 4.28Å; R122-M222 PolarHBondContact NH2-O 2.74Å; D182-M222 HydrophobicContact CB-SD 4.47Å; D182-M222 WeakPolarHBondContact OD1-CB 3.37Å; V220-M222 PolarHBondContact O-N 2.89Å
223R62.4Low66.7Low94 Ų9486.4 Ų86.436%0.35545%0.454SS..SBendtrans-97.4-9.2178.6-64.4177.6177.4-164.31113.7H94 D120H94-R223 PolarHBondContact O-NH1 2.98Å; H94-R223 PolarHBondContact O-NH2 3.21Å; D120-R223 IonicContact OD1-CZ 3.42Å; D120-R223 IonicContact OD1-NE 3.23Å; D120-R223 PolarHBondContact OD1-NE 2.59Å; D120-R223 IonicContact OD1-NH2 2.81Å; D120-R223 PolarHBondContact OD1-NH2 3.05Å; D120-R223 IonicContact OD2-NH2 3.79Å; D120-R223 PolarHBondContact OD2-NH2 3.48Å
224S59.3Low65.4Low78 Ų7885.2 Ų85.255%0.54545%0.453SS..SBendtrans-147.7155.1177.564.60000110.1R226S224-R226 PolarHBondContact O-N 3.26Å
225S55.9Low64.6Low39 Ų3987.3 Ų87.327%0.27346%0.464SS..  trans-58.4123.5178.9-172.50000111.1L154 F227L154-S225 WeakPolarHBondContact O-CB 3.11Å; L154-S225 PolarHBondContact O-N 3.18Å; S225-F227 VanDerWaalsContact C-N 3.34Å; S225-F227 PolarHBondContact OG-N 3.09Å
226R49.8Very low63.8Low170 Ų17085.1 Ų85.164%0.64245%0.452SS*.  trans-78.3-17.7171.6-103.6-169.7-165.5163.91.8113.4S224S224-R226 PolarHBondContact O-N 3.26Å
227F51.5Low63.1Low128 Ų12886.1 Ų86.156%0.56145%0.454SS*.SBendtrans-58128.5-178.7-73.3-76.2000107.7S225 K229S225-F227 VanDerWaalsContact C-N 3.34Å; S225-F227 PolarHBondContact OG-N 3.09Å; F227-K229 PolarHBondContact O-N 3.3Å
228P46.2Very low63.3Low109 Ų10985.6 Ų85.671%0.70844%0.443SS*.  trans-48.1118.6-175.120-31.7000105.9N230P228-N230 VanDerWaalsContact C-N 3.3Å; P228-N230 WeakPolarHBondContact O-CA 3.49Å; P228-N230 PolarHBondContact O-N 3.13Å
229K50.4Low63.7Low130 Ų13082.9 Ų82.957%0.56543%0.43SS*.  trans-29.199.7-170.6-73.1-177.1175.1-171.50107.3F227 L231 N233 S234 D237F227-K229 PolarHBondContact O-N 3.3Å; K229-L231 PolarHBondContact O-N 3.34Å; K229-L231 VanDerWaalsContact O-N 3.16Å; K229-N233 HydrophobicContact CB-CB 4.31Å; K229-S234 VanDerWaalsContact CB-OG 3.28Å; K229-S234 WeakPolarHBondContact CB-OG 3.39Å; K229-D237 IonicContact NZ-OD2 2.85Å; K229-D237 PolarHBondContact NZ-OD2 3.47Å
230N54.2Low64.1Low99 Ų9986.6 Ų86.653%0.52945%0.449SS..  trans-46.8136-178.3-91.9-21.5000104.7P228 M232 N233 S234P228-N230 VanDerWaalsContact C-N 3.3Å; P228-N230 WeakPolarHBondContact O-CA 3.49Å; P228-N230 PolarHBondContact O-N 3.13Å; N230-M232 CarbonylContact O-C 3.59Å; N230-M232 PolarHBondContact O-N 3.19Å; N230-N233 WeakPolarHBondContact O-CA 3.47Å; N230-N233 WeakPolarHBondContact O-CB 3.28Å; N230-N233 PolarHBondContact O-N 3.36Å; N230-S234 PolarHBondContact O-N 2.83Å
231L57.2Low64.8Low143 Ų14387.6 Ų87.675%0.74945%0.447SS*.Hα-helixtrans-41.5-37.6-172.3179.463.9000112.1K229 S234 L235K229-L231 PolarHBondContact O-N 3.34Å; K229-L231 VanDerWaalsContact O-N 3.16Å; L231-S234 PolarHBondContact O-N 3.48Å; L231-L235 WeakPolarHBondContact O-CG 3.45Å; L231-L235 PolarHBondContact O-N 3.09Å
232M60.3Low65.6Low110 Ų11085.7 Ų85.754%0.54243%0.433SS..Hα-helixtrans-54.1-45.7170.2-137.1-179.3-70.700116.4T158 N230 L235 F236T158-M232 HydrophobicContact CG2-SD 4.22Å; N230-M232 CarbonylContact O-C 3.59Å; N230-M232 PolarHBondContact O-N 3.19Å; M232-L235 WeakPolarHBondContact O-CB 3.39Å; M232-L235 PolarHBondContact O-N 2.97Å; M232-F236 HydrophobicContact CG-CE2 4.3Å; M232-F236 HydrophobicContact CG-CZ 4.41Å; M232-F236 WeakPolarHBondContact O-CD2 3.48Å; M232-F236 PolarHBondContact O-N 3.08Å
233N63.8Low66.7Low37 Ų3786.6 Ų86.620%0.19844%0.439CS..Hα-helixtrans-62.8-40.2173.7-73.9-13.4000112K229 N230 L235 F236 D237K229-N233 HydrophobicContact CB-CB 4.31Å; N230-N233 WeakPolarHBondContact O-CA 3.47Å; N230-N233 WeakPolarHBondContact O-CB 3.28Å; N230-N233 PolarHBondContact O-N 3.36Å; N233-L235 VanDerWaalsContact C-N 3.29Å; N233-L235 PolarHBondContact O-N 3.17Å; N233-F236 PolarHBondContact O-N 3.3Å; N233-F236 VanDerWaalsContact O-N 3.11Å; N233-D237 PolarHBondContact O-N 3.22Å
234S64.6Low68.1Low44 Ų4487.3 Ų87.331%0.30845%0.449SS..Hα-helixtrans-66.4-32174.1-58.70000111.9K229 N230 L231 F236 D237K229-S234 VanDerWaalsContact CB-OG 3.28Å; K229-S234 WeakPolarHBondContact CB-OG 3.39Å; N230-S234 PolarHBondContact O-N 2.83Å; L231-S234 PolarHBondContact O-N 3.48Å; S234-F236 VanDerWaalsContact C-N 3.25Å; S234-F236 PolarHBondContact O-N 3.25Å; S234-D237 WeakPolarHBondContact O-CB 3.47Å; S234-D237 PolarHBondContact O-N 3.28Å
235L70.4Confident69.7Low61 Ų6185.1 Ų85.132%0.31943%0.43SS..Hα-helixtrans-64.2-30.8171.7-65.7175.7000111.9L231 M232 N233 D237 V238 F241L231-L235 WeakPolarHBondContact O-CG 3.45Å; L231-L235 PolarHBondContact O-N 3.09Å; M232-L235 WeakPolarHBondContact O-CB 3.39Å; M232-L235 PolarHBondContact O-N 2.97Å; N233-L235 VanDerWaalsContact C-N 3.29Å; N233-L235 PolarHBondContact O-N 3.17Å; L235-D237 PolarHBondContact O-N 3.16Å; L235-V238 WeakPolarHBondContact O-CB 3.46Å; L235-V238 PolarHBondContact O-N 3.47Å; L235-F241 HydrophobicContact CB-CB 4.39Å; L235-F241 HydrophobicContact CB-CG 4.34Å; L235-F241 HydrophobicContact CD2-CD2 4.13Å; L235-F241 HydrophobicContact CD2-CE2 3.98Å; L235-F241 HydrophobicContact CD2-CZ 4.27Å; L235-F241 VanDerWaalsContact O-CB 3.32Å; L235-F241 WeakPolarHBondContact O-CB 3.19Å
236F72.6Confident71.5Confident20 Ų2083.6 Ų83.69%0.08842%0.418CS..Hα-helixtrans-75.3-11.8176.4-62.5-47.7000114.2L157 T158 M232 N233 S234 F245L157-F236 HydrophobicContact CB-CD2 4.2Å; L157-F236 HydrophobicContact CB-CE2 4.11Å; L157-F236 HydrophobicContact CD2-CD1 4.17Å; L157-F236 HydrophobicContact CD2-CD2 3.98Å; L157-F236 HydrophobicContact CD2-CE1 4.26Å; L157-F236 HydrophobicContact CD2-CE2 4.07Å; L157-F236 HydrophobicContact CD2-CG 4.05Å; L157-F236 HydrophobicContact CD2-CZ 4.21Å; T158-F236 HydrophobicContact CG2-CE2 4.43Å; T158-F236 HydrophobicContact CG2-CZ 4.36Å; M232-F236 HydrophobicContact CG-CE2 4.3Å; M232-F236 HydrophobicContact CG-CZ 4.41Å; M232-F236 WeakPolarHBondContact O-CD2 3.48Å; M232-F236 PolarHBondContact O-N 3.08Å; N233-F236 PolarHBondContact O-N 3.3Å; N233-F236 VanDerWaalsContact O-N 3.11Å; S234-F236 VanDerWaalsContact C-N 3.25Å; S234-F236 PolarHBondContact O-N 3.25Å; F236-F245 HydrophobicContact CD1-CB 4.42Å; F236-F245 HydrophobicContact CD1-CG 4.48Å; F236-F245 HydrophobicContact CE1-CB 3.63Å; F236-F245 AromaticContact CE1-CD1 3.86Å; F236-F245 HydrophobicContact CE1-CD1 3.86Å; F236-F245 AromaticContact CE1-CD2 3.83Å; F236-F245 HydrophobicContact CE1-CD2 3.83Å; F236-F245 HydrophobicContact CE1-CE2 4.48Å; F236-F245 AromaticContact CE1-CG 3.48Å; F236-F245 HydrophobicContact CE1-CG 3.48Å; F236-F245 VanDerWaalsContact CE1-CG 3.48Å; F236-F245 HydrophobicContact CZ-CB 4.48Å; F236-F245 HydrophobicContact CZ-CD1 4.2Å; F236-F245 AromaticContact CZ-CD2 3.83Å; F236-F245 HydrophobicContact CZ-CD2 3.83Å; F236-F245 HydrophobicContact CZ-CE1 4.42Å; F236-F245 HydrophobicContact CZ-CE2 4.07Å; F236-F245 AromaticContact CZ-CG 3.89Å; F236-F245 HydrophobicContact CZ-CG 3.89Å; F236-F245 HydrophobicContact CZ-CZ 4.36Å
237D72.5Confident73.6Confident108 Ų10878.5 Ų78.558%0.57841%0.412SS*.THydrogen-bonded Turntrans-71.4-19.2166.3-63.9-30.1000111K229 N233 S234 L235K229-D237 IonicContact NZ-OD2 2.85Å; K229-D237 PolarHBondContact NZ-OD2 3.47Å; N233-D237 PolarHBondContact O-N 3.22Å; S234-D237 WeakPolarHBondContact O-CB 3.47Å; S234-D237 PolarHBondContact O-N 3.28Å; L235-D237 PolarHBondContact O-N 3.16Å
238V80.9Confident75.7Confident66 Ų6679 Ų7940%0.441%0.411SS..SBendtrans-89.7118175.1-176.50000110.4L235 I240 F241 K242L235-V238 WeakPolarHBondContact O-CB 3.46Å; L235-V238 PolarHBondContact O-N 3.47Å; V238-I240 VanDerWaalsContact C-N 3.28Å; V238-I240 HydrophobicContact CG1-CB 4.49Å; V238-I240 PolarHBondContact O-N 3.26Å; V238-F241 HydrophobicContact CB-CD2 3.89Å; V238-F241 HydrophobicContact CG1-CD2 3.83Å; V238-F241 HydrophobicContact CG2-CD2 4.47Å; V238-F241 PolarHBondContact O-N 2.6Å; V238-F241 VanDerWaalsContact O-N 3.17Å; V238-K242 PolarHBondContact O-N 3.06Å; V238-K242 VanDerWaalsContact O-N 3.09Å
239E83.2Confident78.1Confident77 Ų7774.4 Ų74.436%0.3638%0.381SS..Hα-helixtrans-56.1-37.8-173.8-172.660.1-14700113.5K242 N243E239-K242 PolarHBondContact O-N 3.44Å; E239-K242 WeakPolarHBondContact OE2-CE 3.35Å; E239-K242 IonicContact OE2-NZ 2.82Å; E239-K242 PolarHBondContact OE2-NZ 3.08Å; E239-N243 WeakPolarHBondContact O-CB 3.45Å; E239-N243 PolarHBondContact O-N 3.07Å; E239-N243 PolarHBondContact O-ND2 2.57Å; E239-N243 PolarHBondContact OE1-ND2 2.91Å
240I86.3Confident80.2Confident123 Ų12370.5 Ų70.563%0.63137%0.373SS*.Hα-helixtrans-63-50.2179-64.1170.5000111.1V238 K242 N243 L244V238-I240 VanDerWaalsContact C-N 3.28Å; V238-I240 HydrophobicContact CG1-CB 4.49Å; V238-I240 PolarHBondContact O-N 3.26Å; I240-K242 VanDerWaalsContact C-N 3.34Å; I240-K242 PolarHBondContact O-N 3.31Å; I240-N243 PolarHBondContact O-N 3.31Å; I240-L244 HydrophobicContact CG2-CD1 4.12Å; I240-L244 WeakPolarHBondContact O-CG 3.36Å; I240-L244 PolarHBondContact O-N 3.45Å
241F85.6Confident82.1Confident100 Ų10069.4 Ų69.444%0.43937%0.367SS..Hα-helixtrans-64.4-40179.9-79.4-72.8000111.7L235 V238 N243 L244 F245L235-F241 HydrophobicContact CB-CB 4.39Å; L235-F241 HydrophobicContact CB-CG 4.34Å; L235-F241 HydrophobicContact CD2-CD2 4.13Å; L235-F241 HydrophobicContact CD2-CE2 3.98Å; L235-F241 HydrophobicContact CD2-CZ 4.27Å; L235-F241 VanDerWaalsContact O-CB 3.32Å; L235-F241 WeakPolarHBondContact O-CB 3.19Å; V238-F241 HydrophobicContact CB-CD2 3.89Å; V238-F241 HydrophobicContact CG1-CD2 3.83Å; V238-F241 HydrophobicContact CG2-CD2 4.47Å; V238-F241 PolarHBondContact O-N 2.6Å; V238-F241 VanDerWaalsContact O-N 3.17Å; F241-N243 PolarHBondContact O-N 3.4Å; F241-L244 PolarHBondContact O-N 3.2Å; F241-F245 WeakPolarHBondContact O-CB 3.38Å; F241-F245 PolarHBondContact O-N 3.09Å
242K85.5Confident83.9Confident20 Ų2066.7 Ų66.79%0.08735%0.349CS..Hα-helixtrans-58.2-46.8173.9-174.4174.263.6-164.90111.6V238 E239 I240 F245 F246 Y275V238-K242 PolarHBondContact O-N 3.06Å; V238-K242 VanDerWaalsContact O-N 3.09Å; E239-K242 PolarHBondContact O-N 3.44Å; E239-K242 WeakPolarHBondContact OE2-CE 3.35Å; E239-K242 IonicContact OE2-NZ 2.82Å; E239-K242 PolarHBondContact OE2-NZ 3.08Å; I240-K242 VanDerWaalsContact C-N 3.34Å; I240-K242 PolarHBondContact O-N 3.31Å; K242-F245 PolarHBondContact O-N 2.83Å; K242-F246 HydrophobicContact CD-CE2 4.27Å; K242-F246 HydrophobicContact CG-CD2 3.81Å; K242-F246 HydrophobicContact CG-CE2 3.61Å; K242-F246 WeakPolarHBondContact O-CD2 3.38Å; K242-F246 PolarHBondContact O-N 3.07Å; K242-Y275 PolarHBondContact NZ-O 3.27Å; K242-Y275 VanDerWaalsContact NZ-O 3.09Å
243N88.9Confident85.5Confident63 Ų6361.8 Ų61.834%0.33733%0.325SS..Hα-helixtrans-65-43.2178.8-74.7-41000112.5E239 I240 F241 F245 F246 A247E239-N243 WeakPolarHBondContact O-CB 3.45Å; E239-N243 PolarHBondContact O-N 3.07Å; E239-N243 PolarHBondContact O-ND2 2.57Å; E239-N243 PolarHBondContact OE1-ND2 2.91Å; I240-N243 PolarHBondContact O-N 3.31Å; F241-N243 PolarHBondContact O-N 3.4Å; N243-F245 VanDerWaalsContact C-N 3.35Å; N243-F245 PolarHBondContact O-N 3.05Å; N243-F246 PolarHBondContact O-N 2.77Å; N243-A247 WeakPolarHBondContact O-CB 3.39Å; N243-A247 PolarHBondContact O-N 3.35Å
244L91.9Very high86.8Confident109 Ų10964.4 Ų64.457%0.57134%0.339SS*.Hα-helixtrans-60.7-43.2174.6-71.8173000112I240 F241 A247 Y248I240-L244 HydrophobicContact CG2-CD1 4.12Å; I240-L244 WeakPolarHBondContact O-CG 3.36Å; I240-L244 PolarHBondContact O-N 3.45Å; F241-L244 PolarHBondContact O-N 3.2Å; L244-A247 PolarHBondContact O-N 3.46Å; L244-Y248 WeakPolarHBondContact O-CB 3.47Å; L244-Y248 PolarHBondContact O-N 3.36Å
245F92.7Very high88Confident32 Ų3269.8 Ų69.814%0.1436%0.357CS..Hα-helixtrans-62-46.3177.8173.9-99.7000112.3L157 T158 L161 F236 F241 K242 N243 A247 Y248 M249L157-F245 HydrophobicContact CD1-CE1 4.37Å; L157-F245 HydrophobicContact CD2-CD1 3.81Å; L157-F245 HydrophobicContact CD2-CE1 3.55Å; L157-F245 HydrophobicContact CD2-CZ 4.42Å; L157-F245 HydrophobicContact CG-CD1 4.43Å; L157-F245 HydrophobicContact CG-CE1 3.67Å; L157-F245 HydrophobicContact CG-CZ 4.22Å; T158-F245 HydrophobicContact CG2-CE2 3.81Å; T158-F245 HydrophobicContact CG2-CZ 3.92Å; L161-F245 HydrophobicContact CD1-CE1 3.62Å; L161-F245 HydrophobicContact CD1-CZ 3.88Å; F236-F245 HydrophobicContact CD1-CB 4.42Å; F236-F245 HydrophobicContact CD1-CG 4.48Å; F236-F245 HydrophobicContact CE1-CB 3.63Å; F236-F245 AromaticContact CE1-CD1 3.86Å; F236-F245 HydrophobicContact CE1-CD1 3.86Å; F236-F245 AromaticContact CE1-CD2 3.83Å; F236-F245 HydrophobicContact CE1-CD2 3.83Å; F236-F245 HydrophobicContact CE1-CE2 4.48Å; F236-F245 AromaticContact CE1-CG 3.48Å; F236-F245 HydrophobicContact CE1-CG 3.48Å; F236-F245 VanDerWaalsContact CE1-CG 3.48Å; F236-F245 HydrophobicContact CZ-CB 4.48Å; F236-F245 HydrophobicContact CZ-CD1 4.2Å; F236-F245 AromaticContact CZ-CD2 3.83Å; F236-F245 HydrophobicContact CZ-CD2 3.83Å; F236-F245 HydrophobicContact CZ-CE1 4.42Å; F236-F245 HydrophobicContact CZ-CE2 4.07Å; F236-F245 AromaticContact CZ-CG 3.89Å; F236-F245 HydrophobicContact CZ-CG 3.89Å; F236-F245 HydrophobicContact CZ-CZ 4.36Å; F241-F245 WeakPolarHBondContact O-CB 3.38Å; F241-F245 PolarHBondContact O-N 3.09Å; K242-F245 PolarHBondContact O-N 2.83Å; N243-F245 VanDerWaalsContact C-N 3.35Å; N243-F245 PolarHBondContact O-N 3.05Å; F245-A247 VanDerWaalsContact C-N 3.35Å; F245-A247 PolarHBondContact O-N 2.87Å; F245-Y248 WeakPolarHBondContact O-CB 3.28Å; F245-Y248 PolarHBondContact O-N 3Å; F245-M249 HydrophobicContact CD1-CG 4.31Å; F245-M249 HydrophobicContact CD2-CG 4.48Å; F245-M249 HydrophobicContact CE1-CG 3.83Å; F245-M249 HydrophobicContact CE2-CG 4.03Å; F245-M249 HydrophobicContact CE2-SD 4.28Å; F245-M249 HydrophobicContact CZ-CG 3.68Å; F245-M249 HydrophobicContact CZ-SD 4.13Å; F245-M249 WeakPolarHBondContact O-CG 3.49Å; F245-M249 PolarHBondContact O-N 3.14Å
246F94.2Very high88.8Confident6 Ų672.8 Ų72.83%0.02637%0.371CS..Hα-helixtrans-68.8-32.4177.7-76.4-66.3000112.9L157 L161 K242 N243 M249 A250 V268 V271 R272L157-F246 HydrophobicContact CD1-CE1 4.47Å; L157-F246 HydrophobicContact CD1-CZ 4.12Å; L157-F246 HydrophobicContact CD2-CE2 4.39Å; L157-F246 HydrophobicContact CD2-CZ 4.03Å; L161-F246 HydrophobicContact CD1-CE1 4.31Å; K242-F246 HydrophobicContact CD-CE2 4.27Å; K242-F246 HydrophobicContact CG-CD2 3.81Å; K242-F246 HydrophobicContact CG-CE2 3.61Å; K242-F246 WeakPolarHBondContact O-CD2 3.38Å; K242-F246 PolarHBondContact O-N 3.07Å; N243-F246 PolarHBondContact O-N 2.77Å; F246-M249 PolarHBondContact O-N 3.47Å; F246-A250 WeakPolarHBondContact O-CB 3.48Å; F246-A250 PolarHBondContact O-N 3.14Å; F246-V268 HydrophobicContact CD1-CG1 3.98Å; F246-V271 HydrophobicContact CE1-CB 4.36Å; F246-V271 HydrophobicContact CE1-CG1 4.03Å; F246-V271 HydrophobicContact CZ-CG1 4.09Å; F246-R272 HydrophobicContact CB-CG 4.24Å; F246-R272 HydrophobicContact CD1-CB 3.72Å; F246-R272 HydrophobicContact CD1-CG 4.22Å; F246-R272 HydrophobicContact CD2-CB 3.97Å; F246-R272 HydrophobicContact CD2-CG 3.66Å; F246-R272 HydrophobicContact CE1-CB 3.79Å; F246-R272 HydrophobicContact CE2-CB 4.04Å; F246-R272 HydrophobicContact CE2-CG 4.03Å; F246-R272 HydrophobicContact CG-CB 3.82Å; F246-R272 HydrophobicContact CG-CG 3.78Å; F246-R272 HydrophobicContact CZ-CB 3.97Å; F246-R272 HydrophobicContact CZ-CG 4.47Å
247A93.8Very high89.7Confident63 Ų6372.6 Ų72.652%0.52137%0.371SS..Hα-helixtrans-63.7-43.6171.500000111.5N243 L244 F245 A250 N251N243-A247 WeakPolarHBondContact O-CB 3.39Å; N243-A247 PolarHBondContact O-N 3.35Å; L244-A247 PolarHBondContact O-N 3.46Å; F245-A247 VanDerWaalsContact C-N 3.35Å; F245-A247 PolarHBondContact O-N 2.87Å; A247-A250 PolarHBondContact O-N 3.28Å; A247-N251 PolarHBondContact O-N 3.41Å
248Y95.2Very high90.4Very high138 Ų13869.9 Ų69.954%0.54137%0.369SS..Hα-helixtrans-59.8-46.1172.6166.8-101.4000111.9L244 F245 A250 N251 K252L244-Y248 WeakPolarHBondContact O-CB 3.47Å; L244-Y248 PolarHBondContact O-N 3.36Å; F245-Y248 WeakPolarHBondContact O-CB 3.28Å; F245-Y248 PolarHBondContact O-N 3Å; Y248-A250 PolarHBondContact O-N 3.36Å; Y248-N251 PolarHBondContact O-N 3.33Å; Y248-K252 HydrophobicContact CE1-CD 4.36Å; Y248-K252 WeakPolarHBondContact O-CB 3.29Å; Y248-K252 PolarHBondContact O-N 3.31Å
249M95.4Very high90.8Very high14 Ų1469.3 Ų69.37%0.06938%0.377CS..Hα-helixtrans-64.3-38.8178.5-71.9-55.9-58.900112.5L161 L165 F245 F246 K252 V253 V268L161-M249 HydrophobicContact CB-CE 4.43Å; L161-M249 HydrophobicContact CD1-CE 4.42Å; L161-M249 HydrophobicContact CD1-CG 4.29Å; L165-M249 HydrophobicContact CD1-CE 3.35Å; F245-M249 HydrophobicContact CD1-CG 4.31Å; F245-M249 HydrophobicContact CD2-CG 4.48Å; F245-M249 HydrophobicContact CE1-CG 3.83Å; F245-M249 HydrophobicContact CE2-CG 4.03Å; F245-M249 HydrophobicContact CE2-SD 4.28Å; F245-M249 HydrophobicContact CZ-CG 3.68Å; F245-M249 HydrophobicContact CZ-SD 4.13Å; F245-M249 WeakPolarHBondContact O-CG 3.49Å; F245-M249 PolarHBondContact O-N 3.14Å; F246-M249 PolarHBondContact O-N 3.47Å; M249-K252 HydrophobicContact CE-CD 4.47Å; M249-K252 PolarHBondContact O-N 2.86Å; M249-K252 HydrophobicContact SD-CD 4.36Å; M249-V253 WeakPolarHBondContact O-CB 3.42Å; M249-V253 WeakPolarHBondContact O-CG2 3.25Å; M249-V253 PolarHBondContact O-N 2.88Å; M249-V268 HydrophobicContact CB-CG1 4.14Å; M249-V268 HydrophobicContact CB-CG2 4.34Å
250A94.2Very high91.4Very high48 Ų4867.8 Ų67.840%0.39737%0.37SS..Hα-helixtrans-61.6-46.417400000111.5F246 A247 Y248 K252 V253 D254F246-A250 WeakPolarHBondContact O-CB 3.48Å; F246-A250 PolarHBondContact O-N 3.14Å; A247-A250 PolarHBondContact O-N 3.28Å; Y248-A250 PolarHBondContact O-N 3.36Å; A250-K252 PolarHBondContact O-N 3.11Å; A250-V253 PolarHBondContact O-N 3.38Å; A250-D254 WeakPolarHBondContact O-CB 3.22Å; A250-D254 PolarHBondContact O-N 2.89Å
251N94.8Very high91.9Very high75 Ų7564.7 Ų64.740%0.40135%0.35SS..Hα-helixtrans-64-40176.4-172-90000112.6A247 Y248 D254 K255A247-N251 PolarHBondContact O-N 3.41Å; Y248-N251 PolarHBondContact O-N 3.33Å; N251-D254 PolarHBondContact O-N 2.79Å; N251-K255 WeakPolarHBondContact O-CG 3.27Å; N251-K255 PolarHBondContact O-N 3.35Å; N251-K255 WeakPolarHBondContact OD1-CD 3.45Å; N251-K255 WeakPolarHBondContact OD1-CE 3.21Å; N251-K255 PolarHBondContact OD1-NZ 3.4Å
252K94.5Very high92.4Very high86 Ų8662 Ų6237%0.37434%0.343SS..Hα-helixtrans-62.6-45.5176.7-178-179.3176.8-173.30111Y248 M249 A250 K255 M256Y248-K252 HydrophobicContact CE1-CD 4.36Å; Y248-K252 WeakPolarHBondContact O-CB 3.29Å; Y248-K252 PolarHBondContact O-N 3.31Å; M249-K252 HydrophobicContact CE-CD 4.47Å; M249-K252 PolarHBondContact O-N 2.86Å; M249-K252 HydrophobicContact SD-CD 4.36Å; A250-K252 PolarHBondContact O-N 3.11Å; K252-K255 PolarHBondContact O-N 3.36Å; K252-M256 HydrophobicContact CG-SD 4.03Å; K252-M256 WeakPolarHBondContact O-CB 3.45Å; K252-M256 VanDerWaalsContact O-CG 3.27Å; K252-M256 WeakPolarHBondContact O-CG 3.42Å; K252-M256 PolarHBondContact O-N 2.88Å
253V94.2Very high93.1Very high7 Ų761 Ų614%0.04234%0.339CS..Hα-helixtrans-62.7-48177.5161.10000111L165 M249 A250 K255 M256 T257 P264 P265 V268L165-V253 HydrophobicContact CD1-CG2 4.06Å; L165-V253 HydrophobicContact CD2-CG2 3.95Å; M249-V253 WeakPolarHBondContact O-CB 3.42Å; M249-V253 WeakPolarHBondContact O-CG2 3.25Å; M249-V253 PolarHBondContact O-N 2.88Å; A250-V253 PolarHBondContact O-N 3.38Å; V253-K255 VanDerWaalsContact C-N 3.32Å; V253-K255 PolarHBondContact O-N 2.96Å; V253-M256 PolarHBondContact O-N 2.98Å; V253-T257 HydrophobicContact CG1-CG2 4.19Å; V253-T257 WeakPolarHBondContact O-CG2 3.45Å; V253-T257 PolarHBondContact O-N 3.41Å; V253-T257 PolarHBondContact O-OG1 3.05Å; V253-T257 VanDerWaalsContact O-OG1 3.05Å; V253-P264 HydrophobicContact CB-CB 4.48Å; V253-P264 HydrophobicContact CG1-CB 3.46Å; V253-P264 VanDerWaalsContact CG1-CB 3.46Å; V253-P264 HydrophobicContact CG2-CB 4.21Å; V253-P265 HydrophobicContact CG1-CG 3.84Å; V253-V268 HydrophobicContact CG2-CG2 3.86Å
254D91.5Very high93.5Very high92 Ų9258.6 Ų58.649%0.49233%0.326SS..Hα-helixtrans-55.1-46.5178.2-176.665.7000112A250 N251 M256 T257 G258A250-D254 WeakPolarHBondContact O-CB 3.22Å; A250-D254 PolarHBondContact O-N 2.89Å; N251-D254 PolarHBondContact O-N 2.79Å; D254-M256 VanDerWaalsContact C-N 3.31Å; D254-M256 PolarHBondContact O-N 3.32Å; D254-T257 PolarHBondContact O-N 3.18Å; D254-G258 WeakPolarHBondContact O-CA 3.43Å; D254-G258 PolarHBondContact O-N 3.37Å
255K90.2Very high93.8Very high157 Ų15755.8 Ų55.868%0.68331%0.314SS*.Hα-helixtrans-63.9-31.9174.7-75172.9175161.30114.1N251 K252 V253N251-K255 WeakPolarHBondContact O-CG 3.27Å; N251-K255 PolarHBondContact O-N 3.35Å; N251-K255 WeakPolarHBondContact OD1-CD 3.45Å; N251-K255 WeakPolarHBondContact OD1-CE 3.21Å; N251-K255 PolarHBondContact OD1-NZ 3.4Å; K252-K255 PolarHBondContact O-N 3.36Å; V253-K255 VanDerWaalsContact C-N 3.32Å; V253-K255 PolarHBondContact O-N 2.96Å
256M87.1Confident94Very high124 Ų12456.2 Ų56.261%0.61132%0.318SS*.Hα-helixtrans-79.6-33.9-179.7-76.3177.961.100112.4K252 V253 D254K252-M256 HydrophobicContact CG-SD 4.03Å; K252-M256 WeakPolarHBondContact O-CB 3.45Å; K252-M256 VanDerWaalsContact O-CG 3.27Å; K252-M256 WeakPolarHBondContact O-CG 3.42Å; K252-M256 PolarHBondContact O-N 2.88Å; V253-M256 PolarHBondContact O-N 2.98Å; D254-M256 VanDerWaalsContact C-N 3.31Å; D254-M256 PolarHBondContact O-N 3.32Å
257T91.1Very high94.3Very high16 Ų1656 Ų5610%0.09832%0.317CS..Hα-helixtrans-99-17.9-174.862.40000113.5V253 D254 G259 H260 Y261 P264V253-T257 HydrophobicContact CG1-CG2 4.19Å; V253-T257 WeakPolarHBondContact O-CG2 3.45Å; V253-T257 PolarHBondContact O-N 3.41Å; V253-T257 PolarHBondContact O-OG1 3.05Å; V253-T257 VanDerWaalsContact O-OG1 3.05Å; D254-T257 PolarHBondContact O-N 3.18Å; T257-G259 PolarHBondContact O-N 3.26Å; T257-G259 PolarHBondContact OG1-N 3.45Å; T257-H260 WeakPolarHBondContact O-CB 3.49Å; T257-H260 PolarHBondContact O-CD2 3.26Å; T257-H260 PolarHBondContact O-N 3.44Å; T257-H260 VanDerWaalsContact O-N 3.1Å; T257-Y261 HydrophobicContact CG2-CD2 4.24Å; T257-Y261 HydrophobicContact CG2-CG 4.47Å; T257-P264 HydrophobicContact CG2-CB 4.03Å; T257-P264 HydrophobicContact CG2-CG 3.8Å
258G87.9Confident94.5Very high51 Ų5153.1 Ų53.153%0.52629%0.293SS..THydrogen-bonded Turntrans62.818.4-172.600000113.3D254 H260D254-G258 WeakPolarHBondContact O-CA 3.43Å; D254-G258 PolarHBondContact O-N 3.37Å; G258-H260 VanDerWaalsContact C-N 3.26Å; G258-H260 PolarHBondContact O-N 3.38Å
259G89.5Confident94.6Very high55 Ų5549.5 Ų49.557%0.56728%0.283SS*.THydrogen-bonded Turntrans78.40.1-173.200000115.1T257T257-G259 PolarHBondContact O-N 3.26Å; T257-G259 PolarHBondContact OG1-N 3.45Å
260H95Very high94.7Very high45 Ų4548.9 Ų48.921%0.20828%0.28CS..  trans-83-14.1-174.8-62.4-60.5000115.2T257 G258 K540 F675T257-H260 WeakPolarHBondContact O-CB 3.49Å; T257-H260 PolarHBondContact O-CD2 3.26Å; T257-H260 PolarHBondContact O-N 3.44Å; T257-H260 VanDerWaalsContact O-N 3.1Å; G258-H260 VanDerWaalsContact C-N 3.26Å; G258-H260 PolarHBondContact O-N 3.38Å; H260-K540 PolarHBondContact CE1-O 3.3Å; H260-K540 PolarHBondContact NE2-O 3.3Å; H260-F675 HydrophobicContact CB-CD1 3.71Å; H260-F675 HydrophobicContact CB-CD2 4.31Å; H260-F675 HydrophobicContact CB-CE1 3.43Å; H260-F675 VanDerWaalsContact CB-CE1 3.43Å; H260-F675 HydrophobicContact CB-CE2 4.06Å; H260-F675 HydrophobicContact CB-CG 4.15Å; H260-F675 HydrophobicContact CB-CZ 3.64Å; H260-F675 AromaticContact CG-CE1 3.56Å; H260-F675 AromaticContact CG-CZ 3.49Å; H260-F675 VanDerWaalsContact CG-CZ 3.49Å; H260-F675 AromaticContact ND1-CE2 3.96Å; H260-F675 AromaticContact ND1-CZ 3.43Å; H260-F675 WeakPolarHBondContact ND1-CZ 3.49Å
261Y96.9Very high94.9Very high57 Ų5746.6 Ų46.622%0.22426%0.261CS..  trans-118.1112.4-175.7-63.9-91.3000109.9T257 A263 P264 P265 L302 P674 F675T257-Y261 HydrophobicContact CG2-CD2 4.24Å; T257-Y261 HydrophobicContact CG2-CG 4.47Å; Y261-A263 VanDerWaalsContact C-N 3.34Å; Y261-A263 PolarHBondContact O-N 2.86Å; Y261-P264 WeakPolarHBondContact O-CD 3.42Å; Y261-P265 WeakPolarHBondContact O-CD 3.13Å; Y261-L302 HydrophobicContact CD1-CD1 4.29Å; Y261-L302 HydrophobicContact CE1-CD1 4.22Å; Y261-P674 WeakPolarHBondContact OH-CD 3.39Å; Y261-F675 HydrophobicContact CD1-CB 4.17Å; Y261-F675 HydrophobicContact CE1-CB 3.72Å; Y261-F675 HydrophobicContact CE1-CD1 4.31Å; Y261-F675 HydrophobicContact CE1-CG 4.47Å; Y261-F675 AromaticContact CE2-CD1 3.95Å; Y261-F675 HydrophobicContact CE2-CD1 3.95Å; Y261-F675 AromaticContact CZ-CD1 3.74Å
262P97Very high95Very high43 Ų4347.2 Ų47.228%0.27926%0.258SS..SBendtrans-73.7-23.7-177.926.9-33.9000113.4P265 L266 L293 E298P262-P265 WeakPolarHBondContact O-CD 3.46Å; P262-L266 WeakPolarHBondContact O-CG 3.12Å; P262-L266 PolarHBondContact O-N 3.23Å; P262-L293 HydrophobicContact CB-CD2 3.86Å; P262-L293 HydrophobicContact CG-CD2 3.74Å; P262-E298 HydrophobicContact CG-CB 4.42Å; P262-E298 HydrophobicContact CG-CG 4.35Å
263A98.4Very high95.1Very high1 Ų147.5 Ų47.51%0.00826%0.259CS..Hα-helixtrans-65.2-50.7-175.500000114V137 L141 Y261 L266 I267 L293V137-A263 HydrophobicContact CG2-CB 4.47Å; L141-A263 WeakPolarHBondContact O-CB 3.48Å; Y261-A263 VanDerWaalsContact C-N 3.34Å; Y261-A263 PolarHBondContact O-N 2.86Å; A263-L266 PolarHBondContact O-N 3.04Å; A263-L266 VanDerWaalsContact O-N 3.15Å; A263-I267 WeakPolarHBondContact O-CG1 3.44Å; A263-I267 PolarHBondContact O-N 3.24Å; A263-L293 HydrophobicContact CB-CD1 3.8Å; A263-L293 HydrophobicContact CB-CD2 3.95Å
264P98.2Very high95.1Very high12 Ų1247.2 Ų47.28%0.07826%0.258CS..Hα-helixtrans-59.4-43.9-178.6-26.137.2000114.8V137 L165 V253 T257 Y261 L266 I267 V268V137-P264 HydrophobicContact CG2-CG 3.76Å; L165-P264 HydrophobicContact CD2-CB 3.92Å; V253-P264 HydrophobicContact CB-CB 4.48Å; V253-P264 HydrophobicContact CG1-CB 3.46Å; V253-P264 VanDerWaalsContact CG1-CB 3.46Å; V253-P264 HydrophobicContact CG2-CB 4.21Å; T257-P264 HydrophobicContact CG2-CB 4.03Å; T257-P264 HydrophobicContact CG2-CG 3.8Å; Y261-P264 WeakPolarHBondContact O-CD 3.42Å; P264-L266 VanDerWaalsContact C-N 3.33Å; P264-L266 PolarHBondContact O-N 3.25Å; P264-I267 WeakPolarHBondContact O-CB 3.27Å; P264-I267 PolarHBondContact O-N 3.35Å; P264-V268 WeakPolarHBondContact O-CG2 3.29Å; P264-V268 PolarHBondContact O-N 3.08Å; P264-V268 VanDerWaalsContact O-N 3.14Å
265P97.6Very high95.2Very high49 Ų4945.3 Ų45.332%0.31824%0.244SC..Hα-helixtrans-61.4-39.4173.5-24.433.9000113.2V253 Y261 P262 V268 N269V253-P265 HydrophobicContact CG1-CG 3.84Å; Y261-P265 WeakPolarHBondContact O-CD 3.13Å; P262-P265 WeakPolarHBondContact O-CD 3.46Å; P265-V268 PolarHBondContact O-N 2.75Å; P265-N269 PolarHBondContact O-N 2.96Å; P265-N269 PolarHBondContact O-ND2 3.03Å
266L98.4Very high95.2Very high42 Ų4242.5 Ų42.522%0.2223%0.232CC..Hα-helixtrans-66.5-39.1176.5-75.7176.9000112L142 P262 A263 P264 V268 N269 V270 A289 I292 L293L142-L266 HydrophobicContact CD2-CB 4.16Å; P262-L266 WeakPolarHBondContact O-CG 3.12Å; P262-L266 PolarHBondContact O-N 3.23Å; A263-L266 PolarHBondContact O-N 3.04Å; A263-L266 VanDerWaalsContact O-N 3.15Å; P264-L266 VanDerWaalsContact C-N 3.33Å; P264-L266 PolarHBondContact O-N 3.25Å; L266-V268 PolarHBondContact O-N 2.89Å; L266-N269 PolarHBondContact O-N 3.07Å; L266-V270 WeakPolarHBondContact O-CB 3.22Å; L266-V270 VanDerWaalsContact O-CG2 3.25Å; L266-V270 WeakPolarHBondContact O-CG2 3.41Å; L266-V270 PolarHBondContact O-N 2.8Å; L266-A289 HydrophobicContact CB-CB 4.46Å; L266-A289 HydrophobicContact CD1-CB 4.44Å; L266-A289 HydrophobicContact CD2-CB 4.5Å; L266-I292 HydrophobicContact CD1-CG2 4.35Å; L266-L293 HydrophobicContact CB-CD1 4.4Å; L266-L293 HydrophobicContact CD1-CD1 3.98Å; L266-L293 HydrophobicContact CD1-CD2 3.82Å; L266-L293 HydrophobicContact CD1-CG 3.73Å
267I98.7Very high95.6Very high0 Ų042.6 Ų42.60%023%0.229CC..Hα-helixtrans-55.2-52.5172.6-72.7158.9000110.3V137 L142 L161 I164 L165 A263 P264 N269 V270 V271V137-I267 HydrophobicContact CB-CD1 4.04Å; V137-I267 HydrophobicContact CG2-CD1 3.82Å; L142-I267 HydrophobicContact CB-CD1 4.1Å; L142-I267 HydrophobicContact CB-CG1 3.53Å; L142-I267 HydrophobicContact CD2-CG1 4.26Å; L161-I267 HydrophobicContact CD2-CG2 4.23Å; I164-I267 HydrophobicContact CB-CG2 4.3Å; I164-I267 HydrophobicContact CG2-CB 4.44Å; I164-I267 HydrophobicContact CG2-CD1 3.9Å; I164-I267 HydrophobicContact CG2-CG1 4.03Å; I164-I267 HydrophobicContact CG2-CG2 3.53Å; L165-I267 HydrophobicContact CD2-CB 3.9Å; L165-I267 HydrophobicContact CD2-CD1 4.24Å; L165-I267 HydrophobicContact CD2-CG2 3.63Å; L165-I267 HydrophobicContact CG-CG2 4.09Å; A263-I267 WeakPolarHBondContact O-CG1 3.44Å; A263-I267 PolarHBondContact O-N 3.24Å; P264-I267 WeakPolarHBondContact O-CB 3.27Å; P264-I267 PolarHBondContact O-N 3.35Å; I267-N269 VanDerWaalsContact C-N 3.28Å; I267-N269 PolarHBondContact O-N 3.15Å; I267-V270 PolarHBondContact O-N 3.4Å; I267-V271 HydrophobicContact CG2-CG2 4.46Å; I267-V271 VanDerWaalsContact O-CG2 3.29Å; I267-V271 WeakPolarHBondContact O-CG2 3.42Å; I267-V271 PolarHBondContact O-N 3.1Å
268V98.3Very high95.6Very high4 Ų443.4 Ų43.42%0.02424%0.24CC..Hα-helixtrans-58.2-43.3179.6176.80000110.7L165 F246 M249 V253 P264 P265 L266 R272L165-V268 HydrophobicContact CD1-CG2 4.28Å; L165-V268 HydrophobicContact CD2-CG2 4.18Å; F246-V268 HydrophobicContact CD1-CG1 3.98Å; M249-V268 HydrophobicContact CB-CG1 4.14Å; M249-V268 HydrophobicContact CB-CG2 4.34Å; V253-V268 HydrophobicContact CG2-CG2 3.86Å; P264-V268 WeakPolarHBondContact O-CG2 3.29Å; P264-V268 PolarHBondContact O-N 3.08Å; P264-V268 VanDerWaalsContact O-N 3.14Å; P265-V268 PolarHBondContact O-N 2.75Å; L266-V268 PolarHBondContact O-N 2.89Å; V268-R272 VanDerWaalsContact O-CB 3.23Å; V268-R272 WeakPolarHBondContact O-CB 3.46Å; V268-R272 PolarHBondContact O-N 2.94Å
269N97.6Very high95.9Very high61 Ų6144.5 Ų44.533%0.32623%0.234SC..Hα-helixtrans-66.9-42.7179.6-82.1-40.1000113.7P265 L266 I267 R272 K273P265-N269 PolarHBondContact O-N 2.96Å; P265-N269 PolarHBondContact O-ND2 3.03Å; L266-N269 PolarHBondContact O-N 3.07Å; I267-N269 VanDerWaalsContact C-N 3.28Å; I267-N269 PolarHBondContact O-N 3.15Å; N269-R272 PolarHBondContact O-N 3.34Å; N269-R272 PolarHBondContact OD1-NH2 3.32Å; N269-R272 VanDerWaalsContact OD1-NH2 3.13Å; N269-K273 WeakPolarHBondContact O-CG 3.41Å; N269-K273 PolarHBondContact O-N 2.74Å
270V98.6Very high96.3Very high1 Ų143.7 Ų43.71%0.00623%0.225CC..Hα-helixtrans-65.2-46178.9166.70000110.6L142 T148 Q149 L266 I267 K273 G274 E286 A289L142-V270 HydrophobicContact CD2-CG2 4.29Å; T148-V270 HydrophobicContact CG2-CG1 4.27Å; T148-V270 VanDerWaalsContact OG1-CG1 3.25Å; T148-V270 WeakPolarHBondContact OG1-CG1 3.42Å; Q149-V270 PolarHBondContact NE2-O 2.92Å; Q149-V270 VanDerWaalsContact NE2-O 3.16Å; L266-V270 WeakPolarHBondContact O-CB 3.22Å; L266-V270 VanDerWaalsContact O-CG2 3.25Å; L266-V270 WeakPolarHBondContact O-CG2 3.41Å; L266-V270 PolarHBondContact O-N 2.8Å; I267-V270 PolarHBondContact O-N 3.4Å; V270-K273 PolarHBondContact O-N 2.79Å; V270-G274 PolarHBondContact O-N 2.82Å; V270-G274 VanDerWaalsContact O-N 3.1Å; V270-E286 HydrophobicContact CG1-CB 3.63Å; V270-E286 HydrophobicContact CG1-CG 4.13Å; V270-A289 HydrophobicContact CG2-CB 3.65Å
271V98Very high96.4Very high0 Ų045.7 Ų45.70%023%0.234CC..Hα-helixtrans-61.4-47.7175.5177.90000109.9T148 L157 L161 F246 I267 K273 G274 Y275T148-V271 WeakPolarHBondContact O-CG2 3.49Å; L157-V271 HydrophobicContact CD1-CG1 3.64Å; L161-V271 HydrophobicContact CD2-CB 4.16Å; L161-V271 HydrophobicContact CD2-CG1 4.19Å; L161-V271 HydrophobicContact CD2-CG2 3.86Å; L161-V271 HydrophobicContact CG-CG1 4.45Å; F246-V271 HydrophobicContact CE1-CB 4.36Å; F246-V271 HydrophobicContact CE1-CG1 4.03Å; F246-V271 HydrophobicContact CZ-CG1 4.09Å; I267-V271 HydrophobicContact CG2-CG2 4.46Å; I267-V271 VanDerWaalsContact O-CG2 3.29Å; I267-V271 WeakPolarHBondContact O-CG2 3.42Å; I267-V271 PolarHBondContact O-N 3.1Å; V271-K273 PolarHBondContact O-N 3.42Å; V271-G274 PolarHBondContact O-N 3.02Å; V271-G274 VanDerWaalsContact O-N 3.13Å; V271-Y275 HydrophobicContact CG1-CD2 3.91Å; V271-Y275 HydrophobicContact CG1-CE2 3.92Å; V271-Y275 WeakPolarHBondContact O-CD2 3.43Å; V271-Y275 PolarHBondContact O-N 3.41Å
272R96.1Very high96.5Very high88 Ų8843 Ų4333%0.33222%0.224SC..Hα-helixtrans-55.7-47.6177.5-178.1175.466121.2-4.5112.6F246 V268 N269 G274 Y275 K276F246-R272 HydrophobicContact CB-CG 4.24Å; F246-R272 HydrophobicContact CD1-CB 3.72Å; F246-R272 HydrophobicContact CD1-CG 4.22Å; F246-R272 HydrophobicContact CD2-CB 3.97Å; F246-R272 HydrophobicContact CD2-CG 3.66Å; F246-R272 HydrophobicContact CE1-CB 3.79Å; F246-R272 HydrophobicContact CE2-CB 4.04Å; F246-R272 HydrophobicContact CE2-CG 4.03Å; F246-R272 HydrophobicContact CG-CB 3.82Å; F246-R272 HydrophobicContact CG-CG 3.78Å; F246-R272 HydrophobicContact CZ-CB 3.97Å; F246-R272 HydrophobicContact CZ-CG 4.47Å; V268-R272 VanDerWaalsContact O-CB 3.23Å; V268-R272 WeakPolarHBondContact O-CB 3.46Å; V268-R272 PolarHBondContact O-N 2.94Å; N269-R272 PolarHBondContact O-N 3.34Å; N269-R272 PolarHBondContact OD1-NH2 3.32Å; N269-R272 VanDerWaalsContact OD1-NH2 3.13Å; R272-G274 VanDerWaalsContact C-N 3.3Å; R272-G274 PolarHBondContact O-N 3.16Å; R272-Y275 PolarHBondContact O-N 2.79Å; R272-K276 WeakPolarHBondContact O-CB 3.33Å; R272-K276 PolarHBondContact O-N 3.15Å
273K96.1Very high96.6Very high92 Ų9241.5 Ų41.540%0.421%0.213SC..Hα-helixtrans-59.3-42.9177.8-81.1179.4176.5-175.80111.6N269 V270 V271 Y275 K276 F277 S285N269-K273 WeakPolarHBondContact O-CG 3.41Å; N269-K273 PolarHBondContact O-N 2.74Å; V270-K273 PolarHBondContact O-N 2.79Å; V271-K273 PolarHBondContact O-N 3.42Å; K273-Y275 VanDerWaalsContact C-N 3.35Å; K273-Y275 PolarHBondContact O-N 3.16Å; K273-K276 PolarHBondContact O-N 3.35Å; K273-K276 VanDerWaalsContact O-N 3.17Å; K273-F277 HydrophobicContact CB-CD2 4.41Å; K273-F277 HydrophobicContact CG-CD2 4.45Å; K273-F277 PolarHBondContact O-N 3.38Å; K273-S285 VanDerWaalsContact CD-OG 3.25Å; K273-S285 WeakPolarHBondContact CD-OG 3.19Å; K273-S285 PolarHBondContact NZ-OG 2.87Å
274G95.9Very high96.6Very high1 Ų147.4 Ų47.41%0.0124%0.239CC..Hα-helixtrans-61.5-40176.300000113.6R153 V270 V271 R272 K276 G278R153-G274 PolarHBondContact NH2-O 2.76Å; V270-G274 PolarHBondContact O-N 2.82Å; V270-G274 VanDerWaalsContact O-N 3.1Å; V271-G274 PolarHBondContact O-N 3.02Å; V271-G274 VanDerWaalsContact O-N 3.13Å; R272-G274 VanDerWaalsContact C-N 3.3Å; R272-G274 PolarHBondContact O-N 3.16Å; G274-K276 VanDerWaalsContact C-N 3.32Å; G274-G278 WeakPolarHBondContact CA-O 3.47Å; G274-G278 CarbonylContact O-C 3.59Å; G274-G278 WeakPolarHBondContact O-CA 3.29Å; G274-G278 PolarHBondContact O-N 2.96Å
275Y92.1Very high96.6Very high52 Ų5247.7 Ų47.720%0.20424%0.241CC..Hα-helixtrans-76.9-17.4176.3-84.6-101.4000113.7P152 L157 K242 V271 R272 K273P152-Y275 HydrophobicContact CB-CE2 4.26Å; P152-Y275 PolarHBondContact O-OH 3.25Å; P152-Y275 VanDerWaalsContact O-OH 3.12Å; L157-Y275 HydrophobicContact CD1-CD2 4.3Å; L157-Y275 HydrophobicContact CD1-CE2 3.73Å; L157-Y275 HydrophobicContact CD2-CE1 4.36Å; K242-Y275 PolarHBondContact NZ-O 3.27Å; K242-Y275 VanDerWaalsContact NZ-O 3.09Å; V271-Y275 HydrophobicContact CG1-CD2 3.91Å; V271-Y275 HydrophobicContact CG1-CE2 3.92Å; V271-Y275 WeakPolarHBondContact O-CD2 3.43Å; V271-Y275 PolarHBondContact O-N 3.41Å; R272-Y275 PolarHBondContact O-N 2.79Å; K273-Y275 VanDerWaalsContact C-N 3.35Å; K273-Y275 PolarHBondContact O-N 3.16Å
276K91.2Very high96.7Very high98 Ų9845.3 Ų45.343%0.42623%0.226SC..Hα-helixtrans-91.2-43.4178.1-173.4169.8179.4171.60112.7R272 K273 G274R272-K276 WeakPolarHBondContact O-CB 3.33Å; R272-K276 PolarHBondContact O-N 3.15Å; K273-K276 PolarHBondContact O-N 3.35Å; K273-K276 VanDerWaalsContact O-N 3.17Å; G274-K276 VanDerWaalsContact C-N 3.32Å
277F93.9Very high96.7Very high126 Ų12643.3 Ų43.355%0.55322%0.216SC*.Hα-helixtrans-116.74-170.5-54.6-65.7000113.6K273 E281K273-F277 HydrophobicContact CB-CD2 4.41Å; K273-F277 HydrophobicContact CG-CD2 4.45Å; K273-F277 PolarHBondContact O-N 3.38Å; F277-E281 HydrophobicContact CB-CB 3.77Å; F277-E281 HydrophobicContact CB-CG 3.94Å
278G93.1Very high96.7Very high33 Ų3349.5 Ų49.534%0.3424%0.242SC..  trans95.9166.2179.700000113.9G274 G280 E281 G282G274-G278 WeakPolarHBondContact CA-O 3.47Å; G274-G278 CarbonylContact O-C 3.59Å; G274-G278 WeakPolarHBondContact O-CA 3.29Å; G274-G278 PolarHBondContact O-N 2.96Å; G278-G280 VanDerWaalsContact C-N 3.33Å; G278-G280 PolarHBondContact O-N 3.3Å; G278-E281 PolarHBondContact O-N 2.77Å; G278-G282 PolarHBondContact O-N 3.07Å; G278-G282 VanDerWaalsContact O-N 3.09Å
279I94Very high96.7Very high75 Ų7549.5 Ų49.539%0.38524%0.243SC..Hα-helixtrans-62.2-38-171-163.4171.1000112.8Q149 E281 G282 L283Q149-I279 HydrophobicContact CB-CD1 4.38Å; Q149-I279 HydrophobicContact CB-CG1 3.94Å; I279-E281 PolarHBondContact O-N 2.8Å; I279-G282 WeakPolarHBondContact O-CA 3.43Å; I279-G282 PolarHBondContact O-N 3.49Å; I279-L283 HydrophobicContact CG1-CD1 4.45Å; I279-L283 HydrophobicContact CG1-CG 4.46Å; I279-L283 WeakPolarHBondContact O-CG 3.49Å; I279-L283 PolarHBondContact O-N 2.78Å
280G96.7Very high96.7Very high37 Ų3747.3 Ų47.338%0.38123%0.23SC..Hα-helixtrans-61.9-44.7179.600000112.7G278 G282 L283 K284G278-G280 VanDerWaalsContact C-N 3.33Å; G278-G280 PolarHBondContact O-N 3.3Å; G280-G282 VanDerWaalsContact C-N 3.33Å; G280-L283 PolarHBondContact O-N 3.08Å; G280-K284 WeakPolarHBondContact O-CG 3.27Å; G280-K284 PolarHBondContact O-N 2.98Å
281E98.1Very high96.7Very high87 Ų8747.3 Ų47.341%0.40723%0.23SC..Hα-helixtrans-68.6-34175.6-66.8-53.911700112F277 G278 I279 K284 S285F277-E281 HydrophobicContact CB-CB 3.77Å; F277-E281 HydrophobicContact CB-CG 3.94Å; G278-E281 PolarHBondContact O-N 2.77Å; I279-E281 PolarHBondContact O-N 2.8Å; E281-K284 IonicContact OE1-NZ 3.23Å; E281-K284 PolarHBondContact OE1-NZ 3.24Å; E281-S285 WeakPolarHBondContact O-CB 3.49Å; E281-S285 PolarHBondContact O-N 2.77Å
282G98.4Very high96.6Very high0 Ų050.6 Ų50.60%025%0.247CC..Hα-helixtrans-59.2-4817000000112.7G278 I279 G280 S285 E286G278-G282 PolarHBondContact O-N 3.07Å; G278-G282 VanDerWaalsContact O-N 3.09Å; I279-G282 WeakPolarHBondContact O-CA 3.43Å; I279-G282 PolarHBondContact O-N 3.49Å; G280-G282 VanDerWaalsContact C-N 3.33Å; G282-S285 PolarHBondContact O-N 3.35Å; G282-E286 WeakPolarHBondContact O-CB 3.01Å; G282-E286 PolarHBondContact O-N 2.97Å
283L98.5Very high96.7Very high12 Ų1246.4 Ų46.46%0.06323%0.231CC..Hα-helixtrans-64.1-44.5179.3-70.7174.1000112.3Q87 Q149 I279 G280 S285 E286 A287Q87-L283 HydrophobicContact CG-CD2 4.42Å; Q87-L283 PolarHBondContact NE2-O 3.07Å; Q87-L283 PolarHBondContact OE1-O 3.24Å; Q149-L283 HydrophobicContact CB-CD2 4.06Å; Q149-L283 HydrophobicContact CB-CG 4.5Å; Q149-L283 HydrophobicContact CG-CD2 3.86Å; Q149-L283 HydrophobicContact CG-CG 4.13Å; I279-L283 HydrophobicContact CG1-CD1 4.45Å; I279-L283 HydrophobicContact CG1-CG 4.46Å; I279-L283 WeakPolarHBondContact O-CG 3.49Å; I279-L283 PolarHBondContact O-N 2.78Å; G280-L283 PolarHBondContact O-N 3.08Å; L283-S285 VanDerWaalsContact C-N 3.32Å; L283-S285 PolarHBondContact O-N 2.85Å; L283-E286 WeakPolarHBondContact O-CB 3.39Å; L283-E286 PolarHBondContact O-N 3.03Å; L283-A287 PolarHBondContact O-N 3.23Å
284K98.5Very high96.7Very high125 Ų12542.1 Ų42.154%0.54321%0.213SC..Hα-helixtrans-60.1-43.2174-68.9174.5-171167.30111.7G280 E281 E286 A287 K288G280-K284 WeakPolarHBondContact O-CG 3.27Å; G280-K284 PolarHBondContact O-N 2.98Å; E281-K284 IonicContact OE1-NZ 3.23Å; E281-K284 PolarHBondContact OE1-NZ 3.24Å; K284-E286 VanDerWaalsContact C-N 3.33Å; K284-A287 PolarHBondContact O-N 3.17Å; K284-K288 PolarHBondContact O-N 2.96Å
285S98.7Very high96.6Very high18 Ų1844.5 Ų44.513%0.12623%0.227CC..Hα-helixtrans-68-34.4177.5-168.40000112.3K273 E281 G282 L283 A289K273-S285 VanDerWaalsContact CD-OG 3.25Å; K273-S285 WeakPolarHBondContact CD-OG 3.19Å; K273-S285 PolarHBondContact NZ-OG 2.87Å; E281-S285 WeakPolarHBondContact O-CB 3.49Å; E281-S285 PolarHBondContact O-N 2.77Å; G282-S285 PolarHBondContact O-N 3.35Å; L283-S285 VanDerWaalsContact C-N 3.32Å; L283-S285 PolarHBondContact O-N 2.85Å; S285-A289 VanDerWaalsContact O-CB 3.26Å; S285-A289 WeakPolarHBondContact O-CB 3.31Å; S285-A289 PolarHBondContact O-N 3.42Å
286E98.8Very high96.7Very high0 Ų042.5 Ų42.50%022%0.221CC..Hα-helixtrans-61.5-49.8174.4-171.1-169.178.800110.3Q87 L142 P143 G144 G146 G147 T148 V270 G282 L283 K284 K288 A289 F290Q87-E286 PolarHBondContact NE2-OE1 3.05Å; L142-E286 HydrophobicContact CD1-CG 3.61Å; P143-E286 WeakPolarHBondContact O-CG 3.43Å; G144-E286 VanDerWaalsContact C-OE1 3.3Å; G146-E286 VanDerWaalsContact C-OE2 3.3Å; G146-E286 WeakPolarHBondContact CA-OE1 3.28Å; G146-E286 VanDerWaalsContact CA-OE2 3.23Å; G146-E286 WeakPolarHBondContact CA-OE2 3.23Å; G146-E286 PolarHBondContact N-OE1 3.49Å; G147-E286 PolarHBondContact N-OE2 3.49Å; T148-E286 VanDerWaalsContact CB-OE2 3.25Å; T148-E286 WeakPolarHBondContact CB-OE2 3.07Å; T148-E286 HydrophobicContact CG2-CG 4.06Å; T148-E286 WeakPolarHBondContact CG2-OE2 3.42Å; T148-E286 PolarHBondContact N-OE2 3.45Å; T148-E286 PolarHBondContact OG1-OE2 2.89Å; V270-E286 HydrophobicContact CG1-CB 3.63Å; V270-E286 HydrophobicContact CG1-CG 4.13Å; G282-E286 WeakPolarHBondContact O-CB 3.01Å; G282-E286 PolarHBondContact O-N 2.97Å; L283-E286 WeakPolarHBondContact O-CB 3.39Å; L283-E286 PolarHBondContact O-N 3.03Å; K284-E286 VanDerWaalsContact C-N 3.33Å; E286-K288 PolarHBondContact O-N 3.42Å; E286-A289 PolarHBondContact O-N 2.85Å; E286-A289 VanDerWaalsContact O-N 3.16Å; E286-F290 WeakPolarHBondContact O-CB 3.46Å; E286-F290 PolarHBondContact O-N 3.1Å
287A98.7Very high96.8Very high0 Ų041.8 Ų41.80%023%0.226CC..Hα-helixtrans-62.3-42.8-178.700000112.8T80 S83 L84 L283 K284 A289 F290 G291T80-A287 HydrophobicContact CG2-CB 4.23Å; S83-A287 VanDerWaalsContact OG-CA 3.23Å; S83-A287 WeakPolarHBondContact OG-CA 3.44Å; S83-A287 VanDerWaalsContact OG-CB 3.3Å; S83-A287 WeakPolarHBondContact OG-CB 3.49Å; L84-A287 HydrophobicContact CD2-CB 3.63Å; L84-A287 HydrophobicContact CG-CB 3.75Å; L283-A287 PolarHBondContact O-N 3.23Å; K284-A287 PolarHBondContact O-N 3.17Å; A287-A289 PolarHBondContact O-N 3.41Å; A287-F290 PolarHBondContact O-N 3.01Å; A287-G291 PolarHBondContact O-N 3.21Å
288K98.5Very high96.8Very high130 Ų13038 Ų3857%0.56521%0.211SC*.Hα-helixtrans-62.7-42.8174.8-176.7174.6-178.3172.70111.9K284 E286 G291 I292K284-K288 PolarHBondContact O-N 2.96Å; E286-K288 PolarHBondContact O-N 3.42Å; K288-G291 PolarHBondContact O-N 3.34Å; K288-I292 HydrophobicContact CG-CD1 4.35Å; K288-I292 WeakPolarHBondContact O-CG1 3.24Å; K288-I292 PolarHBondContact O-N 3.21Å; K288-I292 VanDerWaalsContact O-N 3.09Å
289A98.6Very high97Very high4 Ų436.5 Ų36.53%0.03320%0.195CC..Hα-helixtrans-70.8-34.318000000112.1L142 L266 V270 S285 E286 A287 G291 I292 L293L142-A289 HydrophobicContact CD2-CB 3.72Å; L266-A289 HydrophobicContact CB-CB 4.46Å; L266-A289 HydrophobicContact CD1-CB 4.44Å; L266-A289 HydrophobicContact CD2-CB 4.5Å; V270-A289 HydrophobicContact CG2-CB 3.65Å; S285-A289 VanDerWaalsContact O-CB 3.26Å; S285-A289 WeakPolarHBondContact O-CB 3.31Å; S285-A289 PolarHBondContact O-N 3.42Å; E286-A289 PolarHBondContact O-N 2.85Å; E286-A289 VanDerWaalsContact O-N 3.16Å; A287-A289 PolarHBondContact O-N 3.41Å; A289-G291 VanDerWaalsContact C-N 3.34Å; A289-I292 PolarHBondContact O-N 3.45Å; A289-L293 WeakPolarHBondContact O-CB 3.44Å; A289-L293 WeakPolarHBondContact O-CG 3.44Å; A289-L293 PolarHBondContact O-N 3.25Å
290F98.4Very high96.9Very high15 Ų1535.8 Ų35.87%0.06619%0.189CC..Hα-helixtrans-59-46.5169.4-177.4-89000110.8I70 A79 L141 L142 E286 A287 I292 L293 A294I70-F290 HydrophobicContact CD1-CZ 4.36Å; I70-F290 HydrophobicContact CG1-CZ 4.46Å; I70-F290 HydrophobicContact CG2-CZ 4.47Å; A79-F290 WeakPolarHBondContact O-CD1 3.49Å; L141-F290 HydrophobicContact CD2-CE2 4.49Å; L142-F290 HydrophobicContact CD1-CB 4.13Å; L142-F290 WeakPolarHBondContact O-CD2 3.34Å; E286-F290 WeakPolarHBondContact O-CB 3.46Å; E286-F290 PolarHBondContact O-N 3.1Å; A287-F290 PolarHBondContact O-N 3.01Å; F290-I292 PolarHBondContact O-N 3.22Å; F290-L293 PolarHBondContact O-N 2.86Å; F290-A294 HydrophobicContact CE1-CB 4.27Å; F290-A294 VanDerWaalsContact O-CB 3.3Å; F290-A294 WeakPolarHBondContact O-CB 3.43Å; F290-A294 PolarHBondContact O-N 3.05Å
291G97.7Very high96.9Very high0 Ų034.2 Ų34.20%017%0.172CC..Hα-helixtrans-57-48.7175.900000113.3A287 K288 A289 L293 A294 T295A287-G291 PolarHBondContact O-N 3.21Å; K288-G291 PolarHBondContact O-N 3.34Å; A289-G291 VanDerWaalsContact C-N 3.34Å; G291-L293 VanDerWaalsContact C-N 3.33Å; G291-L293 PolarHBondContact O-N 2.85Å; G291-A294 PolarHBondContact O-N 3.05Å; G291-T295 PolarHBondContact O-N 3.15Å; G291-T295 PolarHBondContact O-OG1 3Å
292I97.5Very high96.8Very high69 Ų6930.8 Ų30.835%0.35416%0.156SC..Hα-helixtrans-57.1-46.3176.6-67.6165000111.3L76 L266 K288 A289 F290 T295 S296L76-I292 HydrophobicContact CD1-CG1 3.67Å; L266-I292 HydrophobicContact CD1-CG2 4.35Å; K288-I292 HydrophobicContact CG-CD1 4.35Å; K288-I292 WeakPolarHBondContact O-CG1 3.24Å; K288-I292 PolarHBondContact O-N 3.21Å; K288-I292 VanDerWaalsContact O-N 3.09Å; A289-I292 PolarHBondContact O-N 3.45Å; F290-I292 PolarHBondContact O-N 3.22Å; I292-T295 PolarHBondContact O-OG1 2.98Å; I292-S296 PolarHBondContact O-N 2.84Å
293L97.6Very high96.7Very high0 Ų031.1 Ų31.10%016%0.158CC..Hα-helixtrans-73.3-40.5-176.1-72.1171.1000112.5L141 L142 P262 A263 L266 A289 F290 G291 T295 S296 S299L141-L293 HydrophobicContact CD2-CB 4.08Å; L142-L293 HydrophobicContact CB-CD1 4.24Å; L142-L293 HydrophobicContact CD2-CD1 3.67Å; L142-L293 HydrophobicContact CG-CD1 3.75Å; P262-L293 HydrophobicContact CB-CD2 3.86Å; P262-L293 HydrophobicContact CG-CD2 3.74Å; A263-L293 HydrophobicContact CB-CD1 3.8Å; A263-L293 HydrophobicContact CB-CD2 3.95Å; L266-L293 HydrophobicContact CB-CD1 4.4Å; L266-L293 HydrophobicContact CD1-CD1 3.98Å; L266-L293 HydrophobicContact CD1-CD2 3.82Å; L266-L293 HydrophobicContact CD1-CG 3.73Å; A289-L293 WeakPolarHBondContact O-CB 3.44Å; A289-L293 WeakPolarHBondContact O-CG 3.44Å; A289-L293 PolarHBondContact O-N 3.25Å; F290-L293 PolarHBondContact O-N 2.86Å; G291-L293 VanDerWaalsContact C-N 3.33Å; G291-L293 PolarHBondContact O-N 2.85Å; L293-T295 PolarHBondContact O-N 2.97Å; L293-S296 WeakPolarHBondContact O-CB 3.38Å; L293-S296 PolarHBondContact O-N 2.75Å; L293-S296 PolarHBondContact O-OG 3.19Å; L293-S299 WeakPolarHBondContact O-CB 3.1Å; L293-S299 PolarHBondContact O-OG 2.63Å
294A96.2Very high96.5Very high3 Ų332 Ų323%0.02516%0.162CC..Hα-helixtrans-58.7-33.317900000112.4I70 A79 L141 F290 G291I70-A294 HydrophobicContact CG2-CB 4.11Å; A79-A294 HydrophobicContact CB-CB 3.68Å; L141-A294 HydrophobicContact CD2-CB 4.1Å; F290-A294 HydrophobicContact CE1-CB 4.27Å; F290-A294 VanDerWaalsContact O-CB 3.3Å; F290-A294 WeakPolarHBondContact O-CB 3.43Å; F290-A294 PolarHBondContact O-N 3.05Å; G291-A294 PolarHBondContact O-N 3.05Å
295T92.9Very high96.4Very high50 Ų5026.3 Ų26.331%0.30714%0.137SC..THydrogen-bonded Turntrans-92.42.2176.758.10000114.3G291 I292 L293G291-T295 PolarHBondContact O-N 3.15Å; G291-T295 PolarHBondContact O-OG1 3Å; I292-T295 PolarHBondContact O-OG1 2.98Å; L293-T295 PolarHBondContact O-N 2.97Å
296S94.5Very high96.2Very high11 Ų1129.2 Ų29.28%0.07715%0.148CC..SBendtrans-77.1147.3-178.470.40000112.6I292 L293 E298 S299 K300I292-S296 PolarHBondContact O-N 2.84Å; L293-S296 WeakPolarHBondContact O-CB 3.38Å; L293-S296 PolarHBondContact O-N 2.75Å; L293-S296 PolarHBondContact O-OG 3.19Å; S296-E298 VanDerWaalsContact C-N 3.25Å; S296-E298 WeakPolarHBondContact CB-OE2 3.47Å; S296-E298 PolarHBondContact O-N 3.21Å; S296-S299 PolarHBondContact O-N 3.01Å; S296-S299 VanDerWaalsContact OG-CB 3.29Å; S296-S299 WeakPolarHBondContact OG-CB 3.23Å; S296-S299 PolarHBondContact OG-N 3.3Å; S296-K300 PolarHBondContact O-N 2.88Å
297P92.8Very high96Very high82 Ų8232.1 Ų32.153%0.53216%0.163SC..Hα-helixtrans-61.6-33.6175.823.9-31.6000112.4K300 C301P297-K300 PolarHBondContact O-N 3.16Å; P297-C301 PolarHBondContact O-N 2.93Å; P297-C301 PolarHBondContact O-SG 2.82Å
298E95.5Very high95.8Very high48 Ų4832.4 Ų32.422%0.22417%0.165CC..Hα-helixtrans-66.1-42.2179.1-61.276.8-167.300111.6P262 S296 C301 L302 F675P262-E298 HydrophobicContact CG-CB 4.42Å; P262-E298 HydrophobicContact CG-CG 4.35Å; S296-E298 VanDerWaalsContact C-N 3.25Å; S296-E298 WeakPolarHBondContact CB-OE2 3.47Å; S296-E298 PolarHBondContact O-N 3.21Å; E298-C301 PolarHBondContact O-N 3.39Å; E298-L302 WeakPolarHBondContact O-CB 3.41Å; E298-L302 VanDerWaalsContact O-CG 3.32Å; E298-L302 WeakPolarHBondContact O-CG 3.35Å; E298-L302 PolarHBondContact O-N 3.26Å; E298-F675 HydrophobicContact CB-CB 4.32Å; E298-F675 HydrophobicContact CG-CB 4.07Å
299S95.5Very high95.7Very high0 Ų026.6 Ų26.60%014%0.142CC..Hα-helixtrans-61.6-44.9174175.30000111.2L139 L141 L293 S296 C301 L302 L303L139-S299 WeakPolarHBondContact O-CA 3.21Å; L139-S299 PolarHBondContact O-OG 3.42Å; L141-S299 WeakPolarHBondContact CD2-OG 3.34Å; L293-S299 WeakPolarHBondContact O-CB 3.1Å; L293-S299 PolarHBondContact O-OG 2.63Å; S296-S299 PolarHBondContact O-N 3.01Å; S296-S299 VanDerWaalsContact OG-CB 3.29Å; S296-S299 WeakPolarHBondContact OG-CB 3.23Å; S296-S299 PolarHBondContact OG-N 3.3Å; S299-C301 VanDerWaalsContact C-N 3.29Å; S299-C301 PolarHBondContact O-N 2.82Å; S299-L302 PolarHBondContact O-N 3.12Å; S299-L303 WeakPolarHBondContact O-CB 3.25Å; S299-L303 WeakPolarHBondContact O-CG 3.45Å; S299-L303 PolarHBondContact O-N 2.94Å
300K93.4Very high95.5Very high61 Ų6128.8 Ų28.827%0.26515%0.152SC..Hα-helixtrans-59.6-39.5175.9-67.4-158.9176.6-164.90112.1S296 P297 H304S296-K300 PolarHBondContact O-N 2.88Å; P297-K300 PolarHBondContact O-N 3.16Å; K300-H304 WeakPolarHBondContact O-CB 3.22Å; K300-H304 PolarHBondContact O-N 3.28Å
301C95.7Very high95.2Very high4 Ų433.1 Ų33.13%0.02717%0.173CC..Hα-helixtrans-68.8-39.7176.7-68.60000113.1P297 E298 S299 H304 L305 F675P297-C301 PolarHBondContact O-N 2.93Å; P297-C301 PolarHBondContact O-SG 2.82Å; E298-C301 PolarHBondContact O-N 3.39Å; S299-C301 VanDerWaalsContact C-N 3.29Å; S299-C301 PolarHBondContact O-N 2.82Å; C301-H304 WeakPolarHBondContact O-CB 3.42Å; C301-H304 PolarHBondContact O-N 3.17Å; C301-L305 WeakPolarHBondContact O-CG 3Å; C301-L305 PolarHBondContact O-N 3.1Å; C301-F675 VanDerWaalsContact CB-O 3.28Å; C301-F675 WeakPolarHBondContact CB-O 3.42Å
302L97.1Very high95.1Very high15 Ų1533.4 Ų33.48%0.07918%0.175CC..Hα-helixtrans-74.6-34.7179.3-69.1169.2000112.4G140 Y261 E298 S299 L305 F306 P674G140-L302 VanDerWaalsContact CA-CD1 3.47Å; G140-L302 VanDerWaalsContact N-CD1 3.32Å; Y261-L302 HydrophobicContact CD1-CD1 4.29Å; Y261-L302 HydrophobicContact CE1-CD1 4.22Å; E298-L302 WeakPolarHBondContact O-CB 3.41Å; E298-L302 VanDerWaalsContact O-CG 3.32Å; E298-L302 WeakPolarHBondContact O-CG 3.35Å; E298-L302 PolarHBondContact O-N 3.26Å; S299-L302 PolarHBondContact O-N 3.12Å; L302-L305 HydrophobicContact CD2-CD1 4.42Å; L302-L305 PolarHBondContact O-N 2.79Å; L302-F306 PolarHBondContact O-N 2.76Å; L302-P674 HydrophobicContact CD2-CB 3.93Å
303L94.9Very high95Very high6 Ų635.5 Ų35.53%0.03118%0.182CC..Hα-helixtrans-64.6-42.1169.9-76.2168.2000111.5T67 I70 L139 S299 F306 N307T67-L303 HydrophobicContact CG2-CD2 3.95Å; I70-L303 HydrophobicContact CG2-CD1 4.35Å; L139-L303 HydrophobicContact CB-CD2 4.21Å; L139-L303 HydrophobicContact CD1-CD2 4.15Å; L139-L303 HydrophobicContact CD2-CD2 4.25Å; L139-L303 HydrophobicContact CG-CD2 4.43Å; S299-L303 WeakPolarHBondContact O-CB 3.25Å; S299-L303 WeakPolarHBondContact O-CG 3.45Å; S299-L303 PolarHBondContact O-N 2.94Å; L303-F306 PolarHBondContact O-N 3.01Å; L303-N307 PolarHBondContact O-N 3.38Å
304H94.5Very high94.9Very high30 Ų3040.8 Ų40.814%0.13921%0.205CC..Hα-helixtrans-54.5-52.9171.3166.259.9000111.2K300 C301 F306 N307 A308 D663 Y726K300-H304 WeakPolarHBondContact O-CB 3.22Å; K300-H304 PolarHBondContact O-N 3.28Å; C301-H304 WeakPolarHBondContact O-CB 3.42Å; C301-H304 PolarHBondContact O-N 3.17Å; H304-F306 VanDerWaalsContact C-N 3.3Å; H304-F306 PolarHBondContact O-N 3.08Å; H304-N307 PolarHBondContact O-N 3.31Å; H304-N307 VanDerWaalsContact O-N 3.16Å; H304-A308 WeakPolarHBondContact O-CB 3.44Å; H304-A308 PolarHBondContact O-N 3.22Å; H304-D663 IonicContact CD2-OD2 3.32Å; H304-D663 IonicContact CE1-OD2 2.73Å; H304-D663 IonicContact NE2-OD2 2.69Å; H304-D663 PolarHBondContact NE2-OD2 3.09Å; H304-Y726 AromaticContact CE1-CD1 3.94Å; H304-Y726 AromaticContact CE1-CE1 3.37Å; H304-Y726 WeakPolarHBondContact CE1-CE1 3.45Å; H304-Y726 AromaticContact CE1-CE2 3.65Å; H304-Y726 AromaticContact CE1-CZ 3.19Å; H304-Y726 PolarHBondContact CE1-OH 2.81Å; H304-Y726 AromaticContact NE2-CE2 3.69Å; H304-Y726 AromaticContact NE2-CZ 3.54Å; H304-Y726 PolarHBondContact NE2-OH 3.39Å
305L97Very high94.9Very high6 Ų642.2 Ų42.23%0.03121%0.212CC..Hα-helixtrans-60.4-37.7178.1-76.4172.8000113.2C301 L302 S309 I664 V667 F668 P674 G677C301-L305 WeakPolarHBondContact O-CG 3Å; C301-L305 PolarHBondContact O-N 3.1Å; L302-L305 HydrophobicContact CD2-CD1 4.42Å; L302-L305 PolarHBondContact O-N 2.79Å; L305-S309 WeakPolarHBondContact O-CB 3.45Å; L305-S309 PolarHBondContact O-N 3.36Å; L305-S309 PolarHBondContact O-OG 3.11Å; L305-I664 HydrophobicContact CD2-CD1 4.02Å; L305-V667 HydrophobicContact CD1-CG1 4.02Å; L305-V667 HydrophobicContact CD1-CG2 4.24Å; L305-V667 HydrophobicContact CD2-CB 4.15Å; L305-V667 HydrophobicContact CD2-CG1 4.35Å; L305-V667 HydrophobicContact CD2-CG2 3.92Å; L305-F668 HydrophobicContact CD2-CE2 4.25Å; L305-P674 HydrophobicContact CD1-CB 4.03Å; L305-P674 VanDerWaalsContact CD1-O 3.25Å; L305-P674 WeakPolarHBondContact CD1-O 3.28Å; L305-G677 WeakPolarHBondContact CD2-O 3.09Å
306F95.1Very high95Very high80 Ų8044.2 Ų44.235%0.35123%0.225SC..Hα-helixtrans-62.2-46.9175.4175.9-97.6000111.6T67 L139 L302 L303 H304 S309 N310T67-F306 HydrophobicContact CG2-CD1 3.96Å; T67-F306 HydrophobicContact CG2-CE1 3.79Å; L139-F306 HydrophobicContact CD2-CB 3.66Å; L139-F306 HydrophobicContact CD2-CD1 4.46Å; L139-F306 HydrophobicContact CD2-CD2 3.94Å; L139-F306 HydrophobicContact CD2-CG 3.77Å; L302-F306 PolarHBondContact O-N 2.76Å; L303-F306 PolarHBondContact O-N 3.01Å; H304-F306 VanDerWaalsContact C-N 3.3Å; H304-F306 PolarHBondContact O-N 3.08Å; F306-S309 PolarHBondContact O-N 3.16Å; F306-N310 WeakPolarHBondContact CE1-ND2 3.19Å; F306-N310 WeakPolarHBondContact CZ-ND2 3.4Å; F306-N310 PolarHBondContact O-N 3.15Å; F306-N310 VanDerWaalsContact O-N 3.1Å; F306-N310 PolarHBondContact O-ND2 3.45Å
307N93.3Very high95Very high61 Ų6146.3 Ų46.333%0.32623%0.232SC..Hα-helixtrans-65.8-47.9178.7-69.9-19.9000111.3L303 H304 S309 N310 E311L303-N307 PolarHBondContact O-N 3.38Å; H304-N307 PolarHBondContact O-N 3.31Å; H304-N307 VanDerWaalsContact O-N 3.16Å; N307-S309 VanDerWaalsContact C-N 3.27Å; N307-S309 PolarHBondContact O-N 3.21Å; N307-N310 WeakPolarHBondContact O-CB 3.37Å; N307-N310 PolarHBondContact O-N 3.45Å; N307-E311 PolarHBondContact O-N 3.44Å
308A95.1Very high95.1Very high5 Ų544.1 Ų44.14%0.04122%0.224CC..Hα-helixtrans-60.6-36.4176.300000112.2H304 N310 E311 C312 A660 I664H304-A308 WeakPolarHBondContact O-CB 3.44Å; H304-A308 PolarHBondContact O-N 3.22Å; A308-N310 VanDerWaalsContact C-N 3.31Å; A308-N310 PolarHBondContact O-N 3.31Å; A308-E311 PolarHBondContact O-N 3.38Å; A308-C312 PolarHBondContact O-N 2.91Å; A308-C312 PolarHBondContact O-SG 3.25Å; A308-A660 HydrophobicContact CB-CB 4.14Å; A308-I664 HydrophobicContact CB-CD1 3.8Å; A308-I664 HydrophobicContact CB-CG1 3.75Å
309S96.3Very high95.1Very high9 Ų946.1 Ų46.16%0.06325%0.249CC..Hα-helixtrans-65.6-33.9174.2-64.60000112.1L305 F306 N307 E311 C312 K313 I664 F668L305-S309 WeakPolarHBondContact O-CB 3.45Å; L305-S309 PolarHBondContact O-N 3.36Å; L305-S309 PolarHBondContact O-OG 3.11Å; F306-S309 PolarHBondContact O-N 3.16Å; N307-S309 VanDerWaalsContact C-N 3.27Å; N307-S309 PolarHBondContact O-N 3.21Å; S309-E311 VanDerWaalsContact C-N 3.33Å; S309-C312 CarbonylContact O-C 3.57Å; S309-C312 PolarHBondContact O-N 3.06Å; S309-K313 VanDerWaalsContact O-CG 3.28Å; S309-K313 WeakPolarHBondContact O-CG 3.45Å; S309-K313 PolarHBondContact O-N 2.95Å; S309-K313 VanDerWaalsContact O-N 3.14Å; S309-I664 VanDerWaalsContact OG-CD1 3.29Å; S309-I664 WeakPolarHBondContact OG-CD1 3.27Å; S309-F668 WeakPolarHBondContact OG-CE2 3.33Å
310N93.6Very high95.1Very high49 Ų4946.8 Ų46.826%0.26225%0.253SS..Hα-helixtrans-70.5-31.7176.9-69.2-27.4000111.9F306 N307 A308 K313F306-N310 WeakPolarHBondContact CE1-ND2 3.19Å; F306-N310 WeakPolarHBondContact CZ-ND2 3.4Å; F306-N310 PolarHBondContact O-N 3.15Å; F306-N310 VanDerWaalsContact O-N 3.1Å; F306-N310 PolarHBondContact O-ND2 3.45Å; N307-N310 WeakPolarHBondContact O-CB 3.37Å; N307-N310 PolarHBondContact O-N 3.45Å; A308-N310 VanDerWaalsContact C-N 3.31Å; A308-N310 PolarHBondContact O-N 3.31Å; N310-K313 PolarHBondContact O-N 3.42Å; N310-K313 PolarHBondContact OD1-NZ 3.03Å
311E92.1Very high95.1Very high107 Ų10753.2 Ų53.250%0.528%0.281SS..Hα-helixtrans-67.5-42.5169.4-62.4-48.9126.300111.6N307 A308 S309 K313 K314N307-E311 PolarHBondContact O-N 3.44Å; A308-E311 PolarHBondContact O-N 3.38Å; S309-E311 VanDerWaalsContact C-N 3.33Å; E311-K313 PolarHBondContact O-N 2.71Å; E311-K313 VanDerWaalsContact O-N 3.1Å; E311-K314 WeakPolarHBondContact O-CB 3.4Å; E311-K314 PolarHBondContact O-N 3.34Å; E311-K314 IonicContact OE1-NZ 2.77Å; E311-K314 PolarHBondContact OE1-NZ 2.94Å; E311-K314 IonicContact OE2-NZ 3.43Å; E311-K314 PolarHBondContact OE2-NZ 2.82Å
312C96.6Very high94.8Very high6 Ų657.6 Ų57.64%0.04130%0.3CS..THydrogen-bonded Turntrans-72.21176.1-590000114.1A308 S309 L493 L498 V499 I664A308-C312 PolarHBondContact O-N 2.91Å; A308-C312 PolarHBondContact O-SG 3.25Å; S309-C312 CarbonylContact O-C 3.57Å; S309-C312 PolarHBondContact O-N 3.06Å; C312-L493 WeakPolarHBondContact O-CD2 3.44Å; C312-L498 HydrophobicContact CB-CB 4.42Å; C312-V499 PolarHBondContact O-N 2.98Å; C312-I664 HydrophobicContact CB-CG2 4.19Å
313K96.2Very high94.4Very high113 Ų11358.2 Ų58.249%0.49131%0.307SS..THydrogen-bonded Turntrans-97.90.6169.1-74.6170.5-165.1163.10113S309 N310 E311 L498S309-K313 VanDerWaalsContact O-CG 3.28Å; S309-K313 WeakPolarHBondContact O-CG 3.45Å; S309-K313 PolarHBondContact O-N 2.95Å; S309-K313 VanDerWaalsContact O-N 3.14Å; N310-K313 PolarHBondContact O-N 3.42Å; N310-K313 PolarHBondContact OD1-NZ 3.03Å; E311-K313 PolarHBondContact O-N 2.71Å; E311-K313 VanDerWaalsContact O-N 3.1Å; K313-L498 HydrophobicContact CD-CD2 4.4Å; K313-L498 HydrophobicContact CG-CD2 3.79Å
314K95.1Very high94.1Very high111 Ų11158 Ų5848%0.48331%0.307SS..SBendtrans-103.7156.1177-60.3174-167.1166.90109.7E311 P316E311-K314 WeakPolarHBondContact O-CB 3.4Å; E311-K314 PolarHBondContact O-N 3.34Å; E311-K314 IonicContact OE1-NZ 2.77Å; E311-K314 PolarHBondContact OE1-NZ 2.94Å; E311-K314 IonicContact OE2-NZ 3.43Å; E311-K314 PolarHBondContact OE2-NZ 2.82Å; K314-P316 VanDerWaalsContact O-CD 3.24Å; K314-P316 WeakPolarHBondContact O-CD 3.47Å
315N96Very high94Very high33 Ų3363.3 Ų63.318%0.17633%0.331CS..  trans-96.3100.6169.8-169.8-19.3000109.1Y317 G318 S486 V489 L493N315-Y317 PolarHBondContact O-N 2.94Å; N315-Y317 VanDerWaalsContact O-N 3.16Å; N315-Y317 WeakPolarHBondContact OD1-CB 3.43Å; N315-Y317 PolarHBondContact OD1-N 3.4Å; N315-G318 PolarHBondContact ND2-O 2.7Å; N315-G318 PolarHBondContact O-N 2.85Å; N315-G318 VanDerWaalsContact O-N 3.13Å; N315-G318 PolarHBondContact OD1-O 3.43Å; N315-S486 PolarHBondContact ND2-O 3.28Å; N315-S486 PolarHBondContact ND2-OG 3.44Å; N315-V489 HydrophobicContact CB-CG1 4.01Å; N315-L493 HydrophobicContact CB-CD1 4.02Å
316P94.4Very high94Very high91 Ų9164.2 Ų64.259%0.59134%0.337SS*.THydrogen-bonded Turntrans-69.2-12-178.129.5-34.7000112.6K314 G318K314-P316 VanDerWaalsContact O-CD 3.24Å; K314-P316 WeakPolarHBondContact O-CD 3.47Å; P316-G318 VanDerWaalsContact C-N 3.34Å
317Y95.5Very high94.2Very high56 Ų5660.4 Ų60.422%0.2232%0.32CS..THydrogen-bonded Turntrans-90.10.8177.1-55.4-87.1000112.7N315 K482 I485 V489 T501N315-Y317 PolarHBondContact O-N 2.94Å; N315-Y317 VanDerWaalsContact O-N 3.16Å; N315-Y317 WeakPolarHBondContact OD1-CB 3.43Å; N315-Y317 PolarHBondContact OD1-N 3.4Å; Y317-K482 HydrophobicContact CD1-CG 4.36Å; Y317-K482 WeakPolarHBondContact O-CE 3.46Å; Y317-I485 HydrophobicContact CD1-CG2 4.07Å; Y317-I485 HydrophobicContact CD2-CG2 3.66Å; Y317-I485 HydrophobicContact CE1-CD1 4.41Å; Y317-I485 HydrophobicContact CE1-CG2 3.89Å; Y317-I485 HydrophobicContact CE2-CG2 3.49Å; Y317-I485 VanDerWaalsContact CE2-CG2 3.49Å; Y317-I485 HydrophobicContact CG-CG2 3.96Å; Y317-V489 HydrophobicContact CD2-CG2 4.18Å; Y317-V489 HydrophobicContact CE2-CG2 4.28Å; Y317-T501 HydrophobicContact CE2-CG2 3.67Å; Y317-T501 PolarHBondContact OH-OG1 2.89Å
318G94Very high94.5Very high36 Ų3657.5 Ų57.537%0.37131%0.305SS..  trans79.7175.4-174.600000112.6N315 P316 S486N315-G318 PolarHBondContact ND2-O 2.7Å; N315-G318 PolarHBondContact O-N 2.85Å; N315-G318 VanDerWaalsContact O-N 3.13Å; N315-G318 PolarHBondContact OD1-O 3.43Å; P316-G318 VanDerWaalsContact C-N 3.34Å; G318-S486 PolarHBondContact O-OG 3.34Å
319A95Very high94.6Very high89 Ų8957.3 Ų57.374%0.73630%0.303SS*.  trans-69138.3177.100000110.9
320P95.8Very high94.8Very high15 Ų1557 Ų5710%0.09730%0.301CS..  trans-69.6153.4176.930.7-35.5000110.6K322 S486 R487 E490P320-K322 VanDerWaalsContact C-N 3.26Å; P320-K322 WeakPolarHBondContact CB-O 3.43Å; P320-K322 PolarHBondContact O-N 2.97Å; P320-S486 WeakPolarHBondContact CA-OG 3.23Å; P320-S486 WeakPolarHBondContact CD-OG 3.29Å; P320-S486 VanDerWaalsContact N-OG 3.14Å; P320-R487 HydrophobicContact CB-CB 3.97Å; P320-R487 HydrophobicContact CB-CG 4.45Å; P320-R487 HydrophobicContact CG-CB 4.42Å; P320-E490 HydrophobicContact CG-CB 4.17Å; P320-E490 HydrophobicContact CG-CG 4.42Å; P320-E490 WeakPolarHBondContact CG-OE2 3.28Å
321K93.2Very high95Very high195 Ų19554.9 Ų54.985%0.84829%0.29SS*.SBendtrans-62.5-35.6175.5-67.7180-177.4179.20112.2E483K321-E483 PolarHBondContact N-OE1 3.05Å; K321-E483 PolarHBondContact N-OE2 2.66Å
322K89.2Confident95.2Very high97 Ų9749.9 Ų49.942%0.42227%0.267SS..SBendtrans-122125.7172.8-67.8176.8177.9169.90109.1P320 D432 E483 R487P320-K322 VanDerWaalsContact C-N 3.26Å; P320-K322 WeakPolarHBondContact CB-O 3.43Å; P320-K322 PolarHBondContact O-N 2.97Å; K322-D432 IonicContact NZ-OD2 2.94Å; K322-D432 PolarHBondContact NZ-OD2 2.68Å; K322-E483 PolarHBondContact N-OE1 2.94Å; K322-R487 PolarHBondContact O-NE 2.75Å
323A89.2Confident95.2Very high27 Ų2751.4 Ų51.422%0.22328%0.284CS..  trans-68.2158173.600000111.3E325 N405A323-E325 VanDerWaalsContact C-N 3.31Å; A323-E325 HydrophobicContact CB-CG 4.11Å; A323-E325 PolarHBondContact O-N 2.87Å; A323-E325 VanDerWaalsContact O-N 3.07Å; A323-N405 WeakPolarHBondContact O-CB 3.32Å; A323-N405 PolarHBondContact O-OD1 3.13Å
324A88.5Confident95Very high3 Ų352.1 Ų52.13%0.02529%0.292CS..  trans-78.976.8169.200000110.9V327 I406 R487 L491A324-V327 HydrophobicContact CB-CG2 4.41Å; A324-I406 HydrophobicContact CB-CG2 3.68Å; A324-R487 HydrophobicContact CB-CG 4.31Å; A324-L491 HydrophobicContact CB-CB 4.13Å; A324-L491 HydrophobicContact CB-CD1 4.14Å
325E92.8Very high95Very high140 Ų14048.6 Ų48.665%0.65428%0.278SS*.  trans-83.5-40.5-179-63.1-179.6170.400112A323 R349 N405A323-E325 VanDerWaalsContact C-N 3.31Å; A323-E325 HydrophobicContact CB-CG 4.11Å; A323-E325 PolarHBondContact O-N 2.87Å; A323-E325 VanDerWaalsContact O-N 3.07Å; E325-R349 PolarHBondContact O-N 3.08Å; E325-N405 PolarHBondContact N-OD1 3.33Å
326V97.8Very high95.1Very high26 Ų2647 Ų4716%0.15827%0.27CS..EExtended strand (participates in β ladder)trans-117120.2172.6-175.90000108.8R349 V351 A404 N405V326-R349 HydrophobicContact CG2-CB 4.44Å; V326-V351 HydrophobicContact CG1-CG2 4.48Å; V326-A404 HydrophobicContact CG1-CB 4.4Å; V326-A404 WeakPolarHBondContact O-CA 3.33Å; V326-N405 PolarHBondContact N-OD1 3.48Å; V326-N405 PolarHBondContact O-N 3.4Å
327V98.8Very high95.3Very high0 Ų043 Ų430%024%0.244CC..EExtended strand (participates in β ladder)trans-106.6125.8178.6179.50000108.9A324 V329 T343 I348 R349 C350 V351 I406 I408 L491A324-V327 HydrophobicContact CB-CG2 4.41Å; V327-V329 HydrophobicContact CG1-CG2 4.18Å; V327-T343 HydrophobicContact CB-CG2 3.95Å; V327-T343 HydrophobicContact CG1-CG2 4.3Å; V327-T343 HydrophobicContact CG2-CG2 3.92Å; V327-I348 HydrophobicContact CG2-CG2 3.74Å; V327-R349 PolarHBondContact N-O 2.86Å; V327-C350 CarbonylContact O-C 3.41Å; V327-C350 VanDerWaalsContact O-CA 3.26Å; V327-C350 WeakPolarHBondContact O-CA 3.4Å; V327-V351 PolarHBondContact O-N 3.38Å; V327-I406 WeakPolarHBondContact CA-O 3.25Å; V327-I406 HydrophobicContact CG1-CG2 4.45Å; V327-I406 HydrophobicContact CG2-CG2 3.98Å; V327-I408 HydrophobicContact CG1-CD1 4.17Å; V327-I408 HydrophobicContact CG1-CG1 4.41Å; V327-L491 HydrophobicContact CG1-CD2 4.28Å; V327-L491 HydrophobicContact CG2-CD1 3.79Å; V327-L491 HydrophobicContact CG2-CD2 4.15Å
328G98.7Very high95.5Very high0 Ų040.7 Ų40.70%024%0.237CC..EExtended strand (participates in β ladder)trans-88.8140.8164.200000110.2V351 I406 V407 I408G328-V351 CarbonylContact C-O 3.54Å; G328-V351 WeakPolarHBondContact CA-O 3.24Å; G328-I406 PolarHBondContact N-O 3.21Å; G328-V407 CarbonylContact O-C 3.56Å; G328-V407 WeakPolarHBondContact O-CA 3.48Å; G328-I408 PolarHBondContact O-N 2.94Å
329V98.8Very high95.7Very high0 Ų039 Ų390%022%0.219CC..EExtended strand (participates in β ladder)trans-126.5118.9168.6-179.40000107.6V327 I339 V351 L352 K353 I408V327-V329 HydrophobicContact CG1-CG2 4.18Å; V329-I339 HydrophobicContact CG2-CG2 3.87Å; V329-V351 PolarHBondContact N-O 3.04Å; V329-L352 HydrophobicContact CB-CD1 3.93Å; V329-L352 HydrophobicContact CG1-CD1 3.83Å; V329-K353 PolarHBondContact O-N 3.49Å; V329-I408 CarbonylContact C-O 3.58Å; V329-I408 WeakPolarHBondContact CA-O 3.3Å
330V98.7Very high95.9Very high3 Ų334.8 Ų34.82%0.01818%0.184CC..EExtended strand (participates in β ladder)trans-106.2117.8-179.5178.20000110.3K353 Y398 V407 I408 A410 V411 I421 L425V330-K353 CarbonylContact C-O 3.59Å; V330-K353 WeakPolarHBondContact CA-O 3.42Å; V330-K353 HydrophobicContact CG1-CD 4.05Å; V330-K353 HydrophobicContact CG2-CB 4.33Å; V330-K353 HydrophobicContact CG2-CD 4.37Å; V330-Y398 HydrophobicContact CG1-CE1 4.48Å; V330-V407 HydrophobicContact CG2-CG1 3.87Å; V330-I408 PolarHBondContact N-O 3.38Å; V330-A410 CarbonylContact O-C 3.39Å; V330-A410 WeakPolarHBondContact O-CA 3.46Å; V330-A410 PolarHBondContact O-N 3.03Å; V330-V411 HydrophobicContact CG1-CG1 4.1Å; V330-I421 HydrophobicContact CG1-CG2 4.11Å; V330-L425 HydrophobicContact CG2-CD2 3.87Å
331G98.2Very high96Very high4 Ų434.2 Ų34.24%0.04118%0.18CC..  trans103112.5-170.500000110.1G333 G336 K353G331-G333 VanDerWaalsContact C-N 3.35Å; G331-G336 VanDerWaalsContact O-CA 3.29Å; G331-G336 WeakPolarHBondContact O-CA 3.35Å; G331-K353 PolarHBondContact N-O 2.86Å
332A97.6Very high96.3Very high2 Ų225.2 Ų25.22%0.01714%0.142CC..  trans-99.926-179.700000112.2T337 L352 D354 V359 L360 S363A332-T337 PolarHBondContact O-OG1 3.13Å; A332-L352 HydrophobicContact CB-CD1 3.97Å; A332-L352 HydrophobicContact CB-CD2 4.03Å; A332-L352 HydrophobicContact CB-CG 3.99Å; A332-D354 HydrophobicContact CB-CB 3.75Å; A332-D354 PolarHBondContact N-OD2 3.48Å; A332-V359 HydrophobicContact CB-CG1 3.72Å; A332-V359 VanDerWaalsContact O-CG1 3.28Å; A332-V359 WeakPolarHBondContact O-CG1 3.41Å; A332-L360 HydrophobicContact CB-CD2 3.85Å; A332-S363 PolarHBondContact O-OG 2.89Å
333G95.2Very high96.7Very high38 Ų3820.6 Ų20.639%0.39212%0.121SC..SBendtrans-65.2-166.6169.300000113G331 M335 T337G331-G333 VanDerWaalsContact C-N 3.35Å; G333-M335 VanDerWaalsContact C-N 3.33Å; G333-M335 PolarHBondContact O-N 3.46Å; G333-T337 WeakPolarHBondContact O-CB 2.82Å; G333-T337 PolarHBondContact O-N 2.93Å; G333-T337 PolarHBondContact O-OG1 3.07Å
334L92.7Very high97.2Very high128 Ų12819.3 Ų19.367%0.6711%0.111SC*.Hα-helixtrans-53.5-48.5-179.8178.965.7000112.3G338L334-G338 PolarHBondContact O-N 3.25Å; L334-G338 VanDerWaalsContact O-N 3.16Å
335M95.7Very high97.5Very high37 Ų3719.7 Ų19.718%0.18211%0.112CC..Hα-helixtrans-70.7-53.6-176.6-63.7-53.8-68.900111.7G333 T337 G338 I339 Y462 V466G333-M335 VanDerWaalsContact C-N 3.33Å; G333-M335 PolarHBondContact O-N 3.46Å; M335-T337 VanDerWaalsContact C-N 3.31Å; M335-T337 PolarHBondContact O-N 3.47Å; M335-G338 CarbonylContact O-C 3.59Å; M335-G338 WeakPolarHBondContact O-CA 3.3Å; M335-G338 PolarHBondContact O-N 3.23Å; M335-I339 VanDerWaalsContact O-CG1 3.27Å; M335-I339 WeakPolarHBondContact O-CG1 3.37Å; M335-I339 PolarHBondContact O-N 3.16Å; M335-Y462 WeakPolarHBondContact CE-O 3.24Å; M335-V466 HydrophobicContact CE-CG2 3.71Å; M335-V466 HydrophobicContact SD-CG2 4.16Å
336G98.4Very high97.5Very high0 Ų017.6 Ų17.60%010%0.101CC..Hα-helixtrans-63.4-34.6-179.100000113.8G331 G338 I339 A340G331-G336 VanDerWaalsContact O-CA 3.29Å; G331-G336 WeakPolarHBondContact O-CA 3.35Å; G336-G338 PolarHBondContact O-N 3.2Å; G336-I339 PolarHBondContact O-N 3.07Å; G336-A340 WeakPolarHBondContact O-CB 3.42Å; G336-A340 PolarHBondContact O-N 3.5Å
337T98.7Very high97.3Very high8 Ų820.3 Ų20.35%0.04912%0.115CC..Hα-helixtrans-60.5-45.7169.9-60.10000111.3A332 G333 M335 A340 Q341 S363 H366 I367A332-T337 PolarHBondContact O-OG1 3.13Å; G333-T337 WeakPolarHBondContact O-CB 2.82Å; G333-T337 PolarHBondContact O-N 2.93Å; G333-T337 PolarHBondContact O-OG1 3.07Å; M335-T337 VanDerWaalsContact C-N 3.31Å; M335-T337 PolarHBondContact O-N 3.47Å; T337-A340 PolarHBondContact O-N 2.78Å; T337-Q341 WeakPolarHBondContact O-CB 3.47Å; T337-Q341 PolarHBondContact O-N 2.79Å; T337-S363 VanDerWaalsContact OG1-CB 3.25Å; T337-S363 WeakPolarHBondContact OG1-CB 3.47Å; T337-S363 PolarHBondContact OG1-OG 2.93Å; T337-H366 HydrophobicContact CG2-CB 4.08Å; T337-I367 HydrophobicContact CG2-CD1 4.23Å; T337-I367 HydrophobicContact CG2-CG1 4Å
338G98.4Very high97.3Very high7 Ų721 Ų217%0.07212%0.119CC..Hα-helixtrans-64.8-39.5177.400000113.1L334 M335 G336 Q341 V342L334-G338 PolarHBondContact O-N 3.25Å; L334-G338 VanDerWaalsContact O-N 3.16Å; M335-G338 CarbonylContact O-C 3.59Å; M335-G338 WeakPolarHBondContact O-CA 3.3Å; M335-G338 PolarHBondContact O-N 3.23Å; G336-G338 PolarHBondContact O-N 3.2Å; G338-Q341 WeakPolarHBondContact O-CB 3.47Å; G338-Q341 PolarHBondContact O-N 2.87Å; G338-V342 PolarHBondContact O-N 3.36Å; G338-V342 VanDerWaalsContact O-N 3.07Å
339I98.8Very high97.2Very high0 Ų027.7 Ų27.70%014%0.144CC..Hα-helixtrans-65.8-45.6176.8-66.5162.9000110.3V329 M335 G336 Q341 V342 T343 I408 A410 N438 Y462 V466V329-I339 HydrophobicContact CG2-CG2 3.87Å; M335-I339 VanDerWaalsContact O-CG1 3.27Å; M335-I339 WeakPolarHBondContact O-CG1 3.37Å; M335-I339 PolarHBondContact O-N 3.16Å; G336-I339 PolarHBondContact O-N 3.07Å; I339-Q341 VanDerWaalsContact C-N 3.32Å; I339-Q341 PolarHBondContact O-N 2.75Å; I339-V342 WeakPolarHBondContact O-CG2 3.38Å; I339-V342 PolarHBondContact O-N 2.91Å; I339-T343 WeakPolarHBondContact O-CB 3.35Å; I339-T343 PolarHBondContact O-N 2.95Å; I339-T343 PolarHBondContact O-OG1 3.35Å; I339-I408 HydrophobicContact CD1-CG2 4.11Å; I339-I408 HydrophobicContact CG2-CD1 3.55Å; I339-I408 HydrophobicContact CG2-CG2 4.5Å; I339-A410 HydrophobicContact CD1-CB 4.18Å; I339-N438 HydrophobicContact CD1-CB 4.43Å; I339-Y462 HydrophobicContact CD1-CD2 3.59Å; I339-Y462 HydrophobicContact CD1-CE2 3.95Å; I339-Y462 HydrophobicContact CD1-CG 4.06Å; I339-Y462 HydrophobicContact CG1-CD1 4.17Å; I339-Y462 HydrophobicContact CG1-CD2 3.81Å; I339-Y462 HydrophobicContact CG1-CE1 4.36Å; I339-Y462 HydrophobicContact CG1-CE2 4Å; I339-Y462 HydrophobicContact CG1-CG 3.89Å; I339-Y462 HydrophobicContact CG2-CE2 4.36Å; I339-V466 HydrophobicContact CG1-CG1 4.18Å; I339-V466 HydrophobicContact CG1-CG2 4.39Å
340A98.9Very high97.2Very high0 Ų027.7 Ų27.70%014%0.144CC..Hα-helixtrans-59.9-43.717400000111.2G336 T337 V342 T343 I344 L352 I367 L392G336-A340 WeakPolarHBondContact O-CB 3.42Å; G336-A340 PolarHBondContact O-N 3.5Å; T337-A340 PolarHBondContact O-N 2.78Å; A340-V342 PolarHBondContact O-N 3.1Å; A340-T343 WeakPolarHBondContact O-CB 3.48Å; A340-T343 PolarHBondContact O-N 3.44Å; A340-I344 WeakPolarHBondContact O-CG2 3.32Å; A340-I344 PolarHBondContact O-N 2.84Å; A340-L352 HydrophobicContact CB-CD1 4.21Å; A340-L352 HydrophobicContact CB-CD2 4.25Å; A340-I367 HydrophobicContact CB-CD1 4.14Å; A340-L392 HydrophobicContact CB-CD1 4.14Å
341Q98.6Very high97.2Very high3 Ų327.7 Ų27.71%0.01414%0.144CC..Hα-helixtrans-56.3-51.6177.5-169.6-170.1-44.800112.6T337 G338 I339 T343 D345 I367 A370T337-Q341 WeakPolarHBondContact O-CB 3.47Å; T337-Q341 PolarHBondContact O-N 2.79Å; G338-Q341 WeakPolarHBondContact O-CB 3.47Å; G338-Q341 PolarHBondContact O-N 2.87Å; I339-Q341 VanDerWaalsContact C-N 3.32Å; I339-Q341 PolarHBondContact O-N 2.75Å; Q341-T343 PolarHBondContact O-N 2.97Å; Q341-D345 WeakPolarHBondContact O-CB 2.92Å; Q341-D345 PolarHBondContact O-N 3.02Å; Q341-I367 HydrophobicContact CB-CG1 4Å; Q341-I367 HydrophobicContact CG-CG1 4.34Å; Q341-I367 HydrophobicContact CG-CG2 4.49Å; Q341-A370 HydrophobicContact CG-CB 4.5Å
342V98.1Very high97.3Very high6 Ų627.5 Ų27.54%0.03614%0.142CC..Hα-helixtrans-73.6-15.2-178.6-59.60000113G338 I339 A340 K346 V466 D467 Q495G338-V342 PolarHBondContact O-N 3.36Å; G338-V342 VanDerWaalsContact O-N 3.07Å; I339-V342 WeakPolarHBondContact O-CG2 3.38Å; I339-V342 PolarHBondContact O-N 2.91Å; A340-V342 PolarHBondContact O-N 3.1Å; V342-K346 WeakPolarHBondContact O-CG 3.22Å; V342-V466 HydrophobicContact CG1-CG1 4.07Å; V342-V466 HydrophobicContact CG2-CG1 3.84Å; V342-D467 HydrophobicContact CG1-CB 4.08Å; V342-Q495 HydrophobicContact CG2-CB 4.45Å; V342-Q495 HydrophobicContact CG2-CG 4.26Å
343T98.7Very high97.3Very high0 Ų027.8 Ų27.80%014%0.143CC..Hα-helixtrans-79.8-53.5174.6-59.70000110.2V327 I339 A340 Q341 D345 K346 I348 C350 Q495V327-T343 HydrophobicContact CB-CG2 3.95Å; V327-T343 HydrophobicContact CG1-CG2 4.3Å; V327-T343 HydrophobicContact CG2-CG2 3.92Å; I339-T343 WeakPolarHBondContact O-CB 3.35Å; I339-T343 PolarHBondContact O-N 2.95Å; I339-T343 PolarHBondContact O-OG1 3.35Å; A340-T343 WeakPolarHBondContact O-CB 3.48Å; A340-T343 PolarHBondContact O-N 3.44Å; Q341-T343 PolarHBondContact O-N 2.97Å; T343-D345 VanDerWaalsContact C-N 3.34Å; T343-D345 PolarHBondContact O-N 2.63Å; T343-K346 PolarHBondContact O-N 3.27Å; T343-I348 HydrophobicContact CG2-CB 3.74Å; T343-I348 HydrophobicContact CG2-CG2 3.75Å; T343-I348 WeakPolarHBondContact O-CB 3.4Å; T343-I348 PolarHBondContact O-N 2.59Å; T343-C350 HydrophobicContact CG2-CB 3.92Å; T343-Q495 PolarHBondContact OG1-NE2 2.69Å
344I98.5Very high97.5Very high0 Ų027 Ų270%013%0.13CC..Hα-helixtrans-71-28.9-175.471.2175.2000113A340 K346 N347 C350 I367 Y388 N391 L392A340-I344 WeakPolarHBondContact O-CG2 3.32Å; A340-I344 PolarHBondContact O-N 2.84Å; I344-K346 PolarHBondContact O-N 2.79Å; I344-K346 VanDerWaalsContact O-N 3.13Å; I344-N347 PolarHBondContact O-N 3.15Å; I344-C350 HydrophobicContact CG2-CB 3.44Å; I344-C350 VanDerWaalsContact CG2-CB 3.44Å; I344-I367 HydrophobicContact CD1-CG2 3.48Å; I344-I367 VanDerWaalsContact CD1-CG2 3.48Å; I344-Y388 WeakPolarHBondContact CB-O 3.5Å; I344-Y388 WeakPolarHBondContact CD1-O 3.33Å; I344-Y388 VanDerWaalsContact O-CD1 3.23Å; I344-Y388 WeakPolarHBondContact O-CD1 3.48Å; I344-N391 HydrophobicContact CB-CB 4Å; I344-N391 HydrophobicContact CG2-CB 3.99Å; I344-L392 HydrophobicContact CD1-CB 3.91Å; I344-L392 HydrophobicContact CD1-CD2 4.41Å; I344-L392 HydrophobicContact CG2-CB 4.16Å; I344-L392 HydrophobicContact CG2-CD1 4.35Å
345D94.9Very high97.6Very high11 Ų1127.8 Ų27.86%0.05913%0.133CC..THydrogen-bonded Turntrans-72.2-3.3178.484.815000113.7Q341 T343 L371 K374 Y388Q341-D345 WeakPolarHBondContact O-CB 2.92Å; Q341-D345 PolarHBondContact O-N 3.02Å; T343-D345 VanDerWaalsContact C-N 3.34Å; T343-D345 PolarHBondContact O-N 2.63Å; D345-L371 HydrophobicContact CB-CD2 4.35Å; D345-K374 IonicContact OD2-NZ 3.83Å; D345-K374 PolarHBondContact OD2-NZ 3.26Å; D345-Y388 HydrophobicContact CB-CD2 4.34Å
346K93.8Very high97.7Very high97 Ų9729 Ų2942%0.42214%0.14SC..THydrogen-bonded Turntrans-105.613.7169.3-54.2-58178.3-1660113.1V342 T343 I344 I348 K494 Q495V342-K346 WeakPolarHBondContact O-CG 3.22Å; T343-K346 PolarHBondContact O-N 3.27Å; I344-K346 PolarHBondContact O-N 2.79Å; I344-K346 VanDerWaalsContact O-N 3.13Å; K346-I348 VanDerWaalsContact C-N 3.3Å; K346-I348 HydrophobicContact CB-CD1 4.15Å; K346-I348 HydrophobicContact CB-CG1 4.23Å; K346-I348 PolarHBondContact O-N 2.83Å; K346-K494 WeakPolarHBondContact CG-O 3.45Å; K346-Q495 VanDerWaalsContact CE-O 3.3Å; K346-Q495 WeakPolarHBondContact CE-O 3.25Å
347N94.1Very high97.6Very high82 Ų8233 Ų3344%0.43917%0.168SC..THydrogen-bonded Turntrans60.636.9-178-162.349.1000113.3I344 L387 Y388 N391I344-N347 PolarHBondContact O-N 3.15Å; N347-L387 WeakPolarHBondContact OD1-CD1 3.32Å; N347-L387 WeakPolarHBondContact OD1-CD2 3.48Å; N347-L387 VanDerWaalsContact OD1-CG 3.28Å; N347-L387 WeakPolarHBondContact OD1-CG 3.31Å; N347-Y388 HydrophobicContact CB-CD1 4.5Å; N347-Y388 HydrophobicContact CB-CE1 4.24Å; N347-N391 PolarHBondContact OD1-ND2 2.92Å
348I96.9Very high97.6Very high16 Ų1634.5 Ų34.58%0.08218%0.181CC..  trans-105130.4174.5-55.5170.9000108V327 T343 K346 C350 L491 K494V327-I348 HydrophobicContact CG2-CG2 3.74Å; T343-I348 HydrophobicContact CG2-CB 3.74Å; T343-I348 HydrophobicContact CG2-CG2 3.75Å; T343-I348 WeakPolarHBondContact O-CB 3.4Å; T343-I348 PolarHBondContact O-N 2.59Å; K346-I348 VanDerWaalsContact C-N 3.3Å; K346-I348 HydrophobicContact CB-CD1 4.15Å; K346-I348 HydrophobicContact CB-CG1 4.23Å; K346-I348 PolarHBondContact O-N 2.83Å; I348-C350 PolarHBondContact O-N 3.48Å; I348-L491 HydrophobicContact CD1-CD1 4.19Å; I348-K494 HydrophobicContact CD1-CB 4.05Å
349R98.5Very high97.6Very high139 Ų13935.3 Ų35.353%0.52519%0.185SC..EExtended strand (participates in β ladder)trans-66.8126.5179.3-173.2171.2176.91463.8109.8E325 V326 V327 I393E325-R349 PolarHBondContact O-N 3.08Å; V326-R349 HydrophobicContact CG2-CB 4.44Å; V327-R349 PolarHBondContact N-O 2.86Å; R349-I393 HydrophobicContact CG-CD1 3.92Å; R349-I393 VanDerWaalsContact NH2-CD1 3.31Å
350C98.8Very high97.6Very high0 Ų035.7 Ų35.70%019%0.187CC..EExtended strand (participates in β ladder)trans-128.6117.1-174-172.60000111V327 T343 I344 I348 N391 I393V327-C350 CarbonylContact O-C 3.41Å; V327-C350 VanDerWaalsContact O-CA 3.26Å; V327-C350 WeakPolarHBondContact O-CA 3.4Å; T343-C350 HydrophobicContact CG2-CB 3.92Å; I344-C350 HydrophobicContact CG2-CB 3.44Å; I344-C350 VanDerWaalsContact CG2-CB 3.44Å; I348-C350 PolarHBondContact O-N 3.48Å; C350-N391 PolarHBondContact N-O 2.9Å; C350-I393 PolarHBondContact O-N 2.95Å
351V98.8Very high97.5Very high4 Ų441.2 Ų41.22%0.02422%0.216CC..EExtended strand (participates in β ladder)trans-88.9112.2168.8-179.80000108.2V326 V327 G328 V329 I393 A400 I401V326-V351 HydrophobicContact CG1-CG2 4.48Å; V327-V351 PolarHBondContact O-N 3.38Å; G328-V351 CarbonylContact C-O 3.54Å; G328-V351 WeakPolarHBondContact CA-O 3.24Å; V329-V351 PolarHBondContact N-O 3.04Å; V351-I393 CarbonylContact C-O 3.59Å; V351-I393 VanDerWaalsContact CA-O 3.32Å; V351-I393 WeakPolarHBondContact CA-O 3.45Å; V351-I393 HydrophobicContact CG2-CB 4.19Å; V351-I393 HydrophobicContact CG2-CD1 4.35Å; V351-I393 HydrophobicContact CG2-CG2 4.44Å; V351-A400 HydrophobicContact CG1-CB 3.77Å; V351-I401 HydrophobicContact CB-CG2 3.98Å; V351-I401 HydrophobicContact CG1-CG2 3.61Å
352L98.8Very high97.5Very high0 Ų048 Ų480%024%0.241CC..EExtended strand (participates in β ladder)trans-96.4108175.7-179.460.8000108.8V329 A332 A340 L360 L392 I393 P394 S395V329-L352 HydrophobicContact CB-CD1 3.93Å; V329-L352 HydrophobicContact CG1-CD1 3.83Å; A332-L352 HydrophobicContact CB-CD1 3.97Å; A332-L352 HydrophobicContact CB-CD2 4.03Å; A332-L352 HydrophobicContact CB-CG 3.99Å; A340-L352 HydrophobicContact CB-CD1 4.21Å; A340-L352 HydrophobicContact CB-CD2 4.25Å; L352-L360 HydrophobicContact CD2-CD2 4.27Å; L352-L360 HydrophobicContact CG-CD2 3.91Å; L352-L360 VanDerWaalsContact O-CD2 3.3Å; L352-L360 WeakPolarHBondContact O-CD2 3.42Å; L352-L392 HydrophobicContact CB-CD1 3.96Å; L352-L392 HydrophobicContact CD2-CD1 4.39Å; L352-I393 PolarHBondContact N-O 3.11Å; L352-P394 CarbonylContact O-C 3.58Å; L352-P394 WeakPolarHBondContact O-CA 3.44Å; L352-S395 PolarHBondContact O-N 2.98Å
353K98.4Very high97.5Very high8 Ų847.9 Ų47.94%0.03524%0.241CC..EExtended strand (participates in β ladder)trans-104.9130.6-177.9-174-89.8176.1178.20111.4V329 V330 G331 S395 Y398V329-K353 PolarHBondContact O-N 3.49Å; V330-K353 CarbonylContact C-O 3.59Å; V330-K353 WeakPolarHBondContact CA-O 3.42Å; V330-K353 HydrophobicContact CG1-CD 4.05Å; V330-K353 HydrophobicContact CG2-CB 4.33Å; V330-K353 HydrophobicContact CG2-CD 4.37Å; G331-K353 PolarHBondContact N-O 2.86Å; K353-S395 VanDerWaalsContact CA-O 3.24Å; K353-S395 WeakPolarHBondContact CA-O 3.49Å; K353-Y398 HydrophobicContact CD-CD1 4.28Å; K353-Y398 HydrophobicContact CD-CE1 4.11Å; K353-Y398 PolarHBondContact NZ-OH 3.37Å
354D98.5Very high97.5Very high22 Ų2250.9 Ų50.912%0.11826%0.255CS..  trans-137.9169.8168.1-156.6-79.3000109.8A332 D356 L360 S395 V396A332-D354 HydrophobicContact CB-CB 3.75Å; A332-D354 PolarHBondContact N-OD2 3.48Å; D354-D356 PolarHBondContact OD1-N 3.39Å; D354-L360 HydrophobicContact CB-CD1 4.44Å; D354-L360 HydrophobicContact CB-CD2 3.82Å; D354-L360 HydrophobicContact CB-CG 3.88Å; D354-S395 PolarHBondContact N-O 3.39Å; D354-V396 VanDerWaalsContact O-CA 3.25Å; D354-V396 WeakPolarHBondContact O-CA 3.26Å
355I95.9Very high97.5Very high144 Ų14457 Ų5774%0.73828%0.281SS*.SBendtrans-83.3-23.7170.958.8172.6000111.7
356D97.2Very high97.6Very high63 Ų6360.7 Ų60.734%0.33730%0.298SS..  trans-109.5111.4-174.3-177.9-1.3000111.4D354 A358 V359 L360D354-D356 PolarHBondContact OD1-N 3.39Å; D356-A358 PolarHBondContact O-N 3.48Å; D356-A358 WeakPolarHBondContact OD1-CA 3.39Å; D356-A358 VanDerWaalsContact OD1-CB 3.26Å; D356-A358 WeakPolarHBondContact OD1-CB 3.27Å; D356-A358 PolarHBondContact OD1-N 3.3Å; D356-V359 HydrophobicContact CB-CB 4.17Å; D356-V359 HydrophobicContact CB-CG2 3.67Å; D356-V359 WeakPolarHBondContact O-CB 3.48Å; D356-V359 PolarHBondContact O-N 3.06Å; D356-V359 WeakPolarHBondContact OD2-CG2 3.4Å; D356-L360 PolarHBondContact O-N 2.99Å; D356-L360 VanDerWaalsContact O-N 3.15Å
357S97Very high97.9Very high82 Ų8256 Ų5657%0.57328%0.278SS*.Hα-helixtrans-56.8-30.8174.864.40000113.8L360 L361S357-L360 PolarHBondContact O-N 2.94Å; S357-L361 PolarHBondContact O-N 3.36Å
358A97.9Very high98.1Very high40 Ų4054.1 Ų54.133%0.33127%0.269SS..Hα-helixtrans-72.2-31.9176.700000111.8D356 R362D356-A358 PolarHBondContact O-N 3.48Å; D356-A358 WeakPolarHBondContact OD1-CA 3.39Å; D356-A358 VanDerWaalsContact OD1-CB 3.26Å; D356-A358 WeakPolarHBondContact OD1-CB 3.27Å; D356-A358 PolarHBondContact OD1-N 3.3Å; A358-R362 WeakPolarHBondContact O-CG 3.39Å; A358-R362 PolarHBondContact O-N 2.86Å; A358-R362 PolarHBondContact O-NH1 2.94Å; A358-R362 VanDerWaalsContact O-NH1 3.12Å
359V97.9Very high98.1Very high25 Ų2555.9 Ų55.915%0.15228%0.279CS..Hα-helixtrans-65.4-48.3171.1179.40000109.4A332 D356 L361 R362 S363A332-V359 HydrophobicContact CB-CG1 3.72Å; A332-V359 VanDerWaalsContact O-CG1 3.28Å; A332-V359 WeakPolarHBondContact O-CG1 3.41Å; D356-V359 HydrophobicContact CB-CB 4.17Å; D356-V359 HydrophobicContact CB-CG2 3.67Å; D356-V359 WeakPolarHBondContact O-CB 3.48Å; D356-V359 PolarHBondContact O-N 3.06Å; D356-V359 WeakPolarHBondContact OD2-CG2 3.4Å; V359-L361 VanDerWaalsContact C-N 3.33Å; V359-L361 PolarHBondContact O-N 3.36Å; V359-R362 WeakPolarHBondContact O-CB 3.45Å; V359-R362 PolarHBondContact O-N 3.06Å; V359-R362 VanDerWaalsContact O-N 3.08Å; V359-S363 PolarHBondContact O-N 3.11Å; V359-S363 PolarHBondContact O-OG 2.86Å; V359-S363 VanDerWaalsContact O-OG 3.1Å
360L98.6Very high98.1Very high8 Ų849.5 Ų49.54%0.04226%0.255CS..Hα-helixtrans-54.3-47.7178-68.6170.6000111.9A332 L352 D354 D356 S357 R362 S363 E364 P394 S395 V396A332-L360 HydrophobicContact CB-CD2 3.85Å; L352-L360 HydrophobicContact CD2-CD2 4.27Å; L352-L360 HydrophobicContact CG-CD2 3.91Å; L352-L360 VanDerWaalsContact O-CD2 3.3Å; L352-L360 WeakPolarHBondContact O-CD2 3.42Å; D354-L360 HydrophobicContact CB-CD1 4.44Å; D354-L360 HydrophobicContact CB-CD2 3.82Å; D354-L360 HydrophobicContact CB-CG 3.88Å; D356-L360 PolarHBondContact O-N 2.99Å; D356-L360 VanDerWaalsContact O-N 3.15Å; S357-L360 PolarHBondContact O-N 2.94Å; L360-R362 VanDerWaalsContact C-N 3.32Å; L360-R362 PolarHBondContact O-N 2.88Å; L360-S363 WeakPolarHBondContact O-CA 3.39Å; L360-S363 WeakPolarHBondContact O-CB 3.43Å; L360-S363 PolarHBondContact O-N 3.05Å; L360-E364 WeakPolarHBondContact O-CG 3.46Å; L360-E364 PolarHBondContact O-N 3.09Å; L360-P394 HydrophobicContact CB-CB 4.31Å; L360-P394 HydrophobicContact CD1-CB 4.4Å; L360-P394 HydrophobicContact CD2-CB 4.3Å; L360-S395 WeakPolarHBondContact CD1-O 3.33Å; L360-V396 HydrophobicContact CD1-CG1 3.78Å
361L98.1Very high98Very high115 Ų11549.5 Ų49.560%0.60226%0.256SS*.Hα-helixtrans-61.2-39.2178.6-175.465000112.5S357 V359 S363 K365S357-L361 PolarHBondContact O-N 3.36Å; V359-L361 VanDerWaalsContact C-N 3.33Å; V359-L361 PolarHBondContact O-N 3.36Å; L361-S363 VanDerWaalsContact C-N 3.34Å; L361-K365 WeakPolarHBondContact O-CB 3.42Å; L361-K365 PolarHBondContact O-N 2.92Å
362R98.2Very high98Very high145 Ų14552 Ų5255%0.54727%0.269SS..Hα-helixtrans-65-39.4174.6-71.8-171.7-59-89.79.2111.4A358 V359 L360 K365 H366A358-R362 WeakPolarHBondContact O-CG 3.39Å; A358-R362 PolarHBondContact O-N 2.86Å; A358-R362 PolarHBondContact O-NH1 2.94Å; A358-R362 VanDerWaalsContact O-NH1 3.12Å; V359-R362 WeakPolarHBondContact O-CB 3.45Å; V359-R362 PolarHBondContact O-N 3.06Å; V359-R362 VanDerWaalsContact O-N 3.08Å; L360-R362 VanDerWaalsContact C-N 3.32Å; L360-R362 PolarHBondContact O-N 2.88Å; R362-K365 PolarHBondContact O-N 2.88Å; R362-H366 WeakPolarHBondContact O-CB 3.35Å; R362-H366 PolarHBondContact O-N 3.2Å
363S98.5Very high97.8Very high4 Ų457.2 Ų57.23%0.02829%0.289CS..Hα-helixtrans-64.7-46.8176.2-57.40000112A332 T337 V359 L360 L361 K365 H366 I367A332-S363 PolarHBondContact O-OG 2.89Å; T337-S363 VanDerWaalsContact OG1-CB 3.25Å; T337-S363 WeakPolarHBondContact OG1-CB 3.47Å; T337-S363 PolarHBondContact OG1-OG 2.93Å; V359-S363 PolarHBondContact O-N 3.11Å; V359-S363 PolarHBondContact O-OG 2.86Å; V359-S363 VanDerWaalsContact O-OG 3.1Å; L360-S363 WeakPolarHBondContact O-CA 3.39Å; L360-S363 WeakPolarHBondContact O-CB 3.43Å; L360-S363 PolarHBondContact O-N 3.05Å; L361-S363 VanDerWaalsContact C-N 3.34Å; S363-K365 VanDerWaalsContact C-N 3.32Å; S363-K365 PolarHBondContact O-N 2.92Å; S363-H366 WeakPolarHBondContact O-CB 3.29Å; S363-H366 PolarHBondContact O-N 3.04Å; S363-H366 VanDerWaalsContact O-N 3.13Å; S363-I367 VanDerWaalsContact O-CG1 3.32Å; S363-I367 WeakPolarHBondContact O-CG1 3.34Å; S363-I367 PolarHBondContact O-N 3.49Å
364E98.4Very high97.5Very high63 Ų6359.8 Ų59.829%0.29430%0.3SS..Hα-helixtrans-58-44.4175.5-71.9-179.792.300111.6L360 I367 T368 L392 P394L360-E364 WeakPolarHBondContact O-CG 3.46Å; L360-E364 PolarHBondContact O-N 3.09Å; E364-I367 PolarHBondContact O-N 2.84Å; E364-T368 VanDerWaalsContact O-CB 3.31Å; E364-T368 WeakPolarHBondContact O-CB 3.18Å; E364-T368 PolarHBondContact O-N 3.23Å; E364-T368 PolarHBondContact O-OG1 3.22Å; E364-L392 HydrophobicContact CG-CD2 3.99Å; E364-P394 HydrophobicContact CG-CB 4.44Å; E364-P394 HydrophobicContact CG-CG 4.44Å
365K98.4Very high97.3Very high129 Ų12961 Ų6156%0.56131%0.306SS*.Hα-helixtrans-60.9-46.4174.4-175.1-176.8-179.1-60.80111.4L361 R362 S363 I367 T368 D369L361-K365 WeakPolarHBondContact O-CB 3.42Å; L361-K365 PolarHBondContact O-N 2.92Å; R362-K365 PolarHBondContact O-N 2.88Å; S363-K365 VanDerWaalsContact C-N 3.32Å; S363-K365 PolarHBondContact O-N 2.92Å; K365-I367 VanDerWaalsContact C-N 3.34Å; K365-I367 PolarHBondContact O-N 3.42Å; K365-T368 PolarHBondContact O-N 2.95Å; K365-D369 IonicContact NZ-OD2 3.92Å; K365-D369 PolarHBondContact NZ-OD2 3.48Å; K365-D369 WeakPolarHBondContact O-CB 3.25Å; K365-D369 VanDerWaalsContact O-CG 3.29Å; K365-D369 PolarHBondContact O-N 2.8Å
366H98Very high97.2Very high88 Ų8863.2 Ų63.241%0.40731%0.31SS..Hα-helixtrans-58.1-46.8179.1-176.594000111.9T337 R362 S363 D369 A370T337-H366 HydrophobicContact CG2-CB 4.08Å; R362-H366 WeakPolarHBondContact O-CB 3.35Å; R362-H366 PolarHBondContact O-N 3.2Å; S363-H366 WeakPolarHBondContact O-CB 3.29Å; S363-H366 PolarHBondContact O-N 3.04Å; S363-H366 VanDerWaalsContact O-N 3.13Å; H366-D369 PolarHBondContact O-N 3.07Å; H366-A370 PolarHBondContact O-N 3.42Å
367I98.6Very high96.6Very high0 Ų069 Ų690%033%0.327CS..Hα-helixtrans-63.6-46.9178.6-69.4170.4000110.4T337 A340 Q341 I344 S363 E364 K365 D369 A370 L371 L389 L392T337-I367 HydrophobicContact CG2-CD1 4.23Å; T337-I367 HydrophobicContact CG2-CG1 4Å; A340-I367 HydrophobicContact CB-CD1 4.14Å; Q341-I367 HydrophobicContact CB-CG1 4Å; Q341-I367 HydrophobicContact CG-CG1 4.34Å; Q341-I367 HydrophobicContact CG-CG2 4.49Å; I344-I367 HydrophobicContact CD1-CG2 3.48Å; I344-I367 VanDerWaalsContact CD1-CG2 3.48Å; S363-I367 VanDerWaalsContact O-CG1 3.32Å; S363-I367 WeakPolarHBondContact O-CG1 3.34Å; S363-I367 PolarHBondContact O-N 3.49Å; E364-I367 PolarHBondContact O-N 2.84Å; K365-I367 VanDerWaalsContact C-N 3.34Å; K365-I367 PolarHBondContact O-N 3.42Å; I367-D369 VanDerWaalsContact C-N 3.33Å; I367-D369 PolarHBondContact O-N 2.82Å; I367-A370 WeakPolarHBondContact O-CB 3.48Å; I367-A370 PolarHBondContact O-N 3.23Å; I367-A370 VanDerWaalsContact O-N 3.12Å; I367-L371 HydrophobicContact CG2-CD1 4.39Å; I367-L371 WeakPolarHBondContact O-CG 3.17Å; I367-L371 PolarHBondContact O-N 2.87Å; I367-L389 HydrophobicContact CG2-CD2 4.33Å; I367-L392 HydrophobicContact CD1-CD1 4.24Å; I367-L392 HydrophobicContact CD1-CD2 3.74Å; I367-L392 HydrophobicContact CG2-CD2 4.42Å
368T98.5Very high95.9Very high42 Ų4274.3 Ų74.326%0.25834%0.335SS..Hα-helixtrans-59.1-44.3177.1-60.80000111.4E364 K365 A370 L371 N372 L389E364-T368 VanDerWaalsContact O-CB 3.31Å; E364-T368 WeakPolarHBondContact O-CB 3.18Å; E364-T368 PolarHBondContact O-N 3.23Å; E364-T368 PolarHBondContact O-OG1 3.22Å; K365-T368 PolarHBondContact O-N 2.95Å; T368-A370 VanDerWaalsContact C-N 3.32Å; T368-A370 PolarHBondContact O-N 3.5Å; T368-L371 PolarHBondContact O-N 3.23Å; T368-N372 WeakPolarHBondContact O-CB 3.42Å; T368-N372 PolarHBondContact O-N 3.36Å; T368-N372 PolarHBondContact O-ND2 3.29Å; T368-L389 HydrophobicContact CG2-CD1 4.48Å
369D98.2Very high95.2Very high53 Ų5378 Ų7828%0.28334%0.344SS..Hα-helixtrans-63.8-37.5176.4-73.8-23.3000111.9K365 H366 I367 N372 R373K365-D369 IonicContact NZ-OD2 3.92Å; K365-D369 PolarHBondContact NZ-OD2 3.48Å; K365-D369 WeakPolarHBondContact O-CB 3.25Å; K365-D369 VanDerWaalsContact O-CG 3.29Å; K365-D369 PolarHBondContact O-N 2.8Å; H366-D369 PolarHBondContact O-N 3.07Å; I367-D369 VanDerWaalsContact C-N 3.33Å; I367-D369 PolarHBondContact O-N 2.82Å; D369-N372 PolarHBondContact O-N 2.94Å; D369-R373 WeakPolarHBondContact O-CG 3.34Å; D369-R373 PolarHBondContact O-N 3.41Å; D369-R373 PolarHBondContact O-NH1 3.26Å
370A96.9Very high94.7Very high4 Ų477.7 Ų77.73%0.03334%0.341CS..Hα-helixtrans-64-44.8174.700000112.3Q341 H366 I367 T368 R373 K374Q341-A370 HydrophobicContact CG-CB 4.5Å; H366-A370 PolarHBondContact O-N 3.42Å; I367-A370 WeakPolarHBondContact O-CB 3.48Å; I367-A370 PolarHBondContact O-N 3.23Å; I367-A370 VanDerWaalsContact O-N 3.12Å; T368-A370 VanDerWaalsContact C-N 3.32Å; T368-A370 PolarHBondContact O-N 3.5Å; A370-R373 VanDerWaalsContact CA-NH2 3.31Å; A370-R373 WeakPolarHBondContact O-CB 3.28Å; A370-R373 PolarHBondContact O-N 3.3Å; A370-K374 PolarHBondContact O-N 3.49Å; A370-K374 VanDerWaalsContact O-N 3.13Å
371L97.5Very high94.2Very high1 Ų180.6 Ų80.61%0.00536%0.359CS..Hα-helixtrans-66.9-38.4175.4-65.2178.2000111.8D345 I367 T368 R373 K374 L375 I380 K385 Y388 L389D345-L371 HydrophobicContact CB-CD2 4.35Å; I367-L371 HydrophobicContact CG2-CD1 4.39Å; I367-L371 WeakPolarHBondContact O-CG 3.17Å; I367-L371 PolarHBondContact O-N 2.87Å; T368-L371 PolarHBondContact O-N 3.23Å; L371-R373 VanDerWaalsContact C-N 3.29Å; L371-R373 PolarHBondContact O-N 3.37Å; L371-K374 HydrophobicContact CD2-CD 4.38Å; L371-K374 WeakPolarHBondContact O-CB 3.29Å; L371-K374 PolarHBondContact O-N 3.02Å; L371-K374 VanDerWaalsContact O-N 3.08Å; L371-L375 WeakPolarHBondContact O-CB 3.46Å; L371-L375 PolarHBondContact O-N 2.94Å; L371-I380 HydrophobicContact CB-CD1 4.24Å; L371-I380 HydrophobicContact CD2-CD1 4.11Å; L371-K385 HydrophobicContact CB-CG 4.12Å; L371-K385 HydrophobicContact CD1-CG 4.49Å; L371-Y388 HydrophobicContact CD2-CD2 4.11Å; L371-L389 HydrophobicContact CD1-CD2 3.74Å; L371-L389 HydrophobicContact CD1-CG 3.77Å
372N98Very high94Very high57 Ų5779 Ų7931%0.30536%0.356SS..Hα-helixtrans-58.6-39.9172.5-75.8-26.7000111.9T368 D369 L375 K376 K385T368-N372 WeakPolarHBondContact O-CB 3.42Å; T368-N372 PolarHBondContact O-N 3.36Å; T368-N372 PolarHBondContact O-ND2 3.29Å; D369-N372 PolarHBondContact O-N 2.94Å; N372-L375 PolarHBondContact O-N 3.05Å; N372-K376 WeakPolarHBondContact O-CB 3.41Å; N372-K376 PolarHBondContact O-N 3.29Å; N372-K385 VanDerWaalsContact OD1-CE 3.31Å; N372-K385 WeakPolarHBondContact OD1-CE 3.2Å; N372-K385 PolarHBondContact OD1-NZ 3.13Å
373R96Very high93.6Very high109 Ų10978.6 Ų78.641%0.41136%0.364SS..Hα-helixtrans-64-40.4173.7-71.4-175.4-61.6-89.89.3111.9D369 A370 L371 R377D369-R373 WeakPolarHBondContact O-CG 3.34Å; D369-R373 PolarHBondContact O-N 3.41Å; D369-R373 PolarHBondContact O-NH1 3.26Å; A370-R373 VanDerWaalsContact CA-NH2 3.31Å; A370-R373 WeakPolarHBondContact O-CB 3.28Å; A370-R373 PolarHBondContact O-N 3.3Å; L371-R373 VanDerWaalsContact C-N 3.29Å; L371-R373 PolarHBondContact O-N 3.37Å; R373-R377 WeakPolarHBondContact O-CB 3.47Å; R373-R377 VanDerWaalsContact O-CG 3.25Å; R373-R377 WeakPolarHBondContact O-CG 3.23Å; R373-R377 PolarHBondContact O-N 3.36Å; R373-R377 VanDerWaalsContact O-N 3.11Å
374K92Very high93.3Very high61 Ų6181.1 Ų81.127%0.26538%0.375SS..Hα-helixtrans-64.3-42.8174.8-70.5-175.1178.6-176.70111.5D345 A370 L371 R377 R378 K379 I380D345-K374 IonicContact OD2-NZ 3.83Å; D345-K374 PolarHBondContact OD2-NZ 3.26Å; A370-K374 PolarHBondContact O-N 3.49Å; A370-K374 VanDerWaalsContact O-N 3.13Å; L371-K374 HydrophobicContact CD2-CD 4.38Å; L371-K374 WeakPolarHBondContact O-CB 3.29Å; L371-K374 PolarHBondContact O-N 3.02Å; L371-K374 VanDerWaalsContact O-N 3.08Å; K374-R377 CarbonylContact O-C 3.55Å; K374-R377 PolarHBondContact O-N 3.27Å; K374-R378 PolarHBondContact O-N 3.18Å; K374-R378 VanDerWaalsContact O-N 3.15Å; K374-K379 HydrophobicContact CB-CB 4.32Å; K374-K379 PolarHBondContact O-N 3.23Å; K374-I380 HydrophobicContact CB-CD1 3.94Å; K374-I380 HydrophobicContact CB-CG1 3.97Å; K374-I380 HydrophobicContact CB-CG2 4.42Å
375L92.9Very high93.2Very high49 Ų4979.9 Ų79.926%0.25737%0.368SS..Hα-helixtrans-62.9-47.7176.7-179.763.6000111.7L371 N372 R377 R378 I380 P382 K385L371-L375 WeakPolarHBondContact O-CB 3.46Å; L371-L375 PolarHBondContact O-N 2.94Å; N372-L375 PolarHBondContact O-N 3.05Å; L375-R377 PolarHBondContact O-N 3.23Å; L375-R378 WeakPolarHBondContact O-CA 3.28Å; L375-R378 PolarHBondContact O-N 3.29Å; L375-I380 HydrophobicContact CB-CG1 4.16Å; L375-I380 VanDerWaalsContact CD1-O 3.31Å; L375-I380 WeakPolarHBondContact CD1-O 3.42Å; L375-P382 HydrophobicContact CD1-CG 4.12Å; L375-K385 HydrophobicContact CD2-CD 4.04Å
376K93.9Very high93.1Very high189 Ų18978.2 Ų78.282%0.82237%0.366SS*.Hα-helixtrans-58.9-34.4175.8-176.2174.4-179.4174.50112.2N372 R378N372-K376 WeakPolarHBondContact O-CB 3.41Å; N372-K376 PolarHBondContact O-N 3.29Å; K376-R378 PolarHBondContact O-N 3.01Å
377R86Confident93Very high184 Ų18477.5 Ų77.569%0.69436%0.364SS*.THydrogen-bonded Turntrans-83.26.7174.3-67.3173179.2175.3-0.1113.4R373 K374 L375 K379R373-R377 WeakPolarHBondContact O-CB 3.47Å; R373-R377 VanDerWaalsContact O-CG 3.25Å; R373-R377 WeakPolarHBondContact O-CG 3.23Å; R373-R377 PolarHBondContact O-N 3.36Å; R373-R377 VanDerWaalsContact O-N 3.11Å; K374-R377 CarbonylContact O-C 3.55Å; K374-R377 PolarHBondContact O-N 3.27Å; L375-R377 PolarHBondContact O-N 3.23Å; R377-K379 HydrophobicContact CB-CG 4.12Å; R377-K379 PolarHBondContact O-N 3.12Å
378R82.5Confident93Very high195 Ų19579.2 Ų79.274%0.73637%0.371SS*.THydrogen-bonded Turntrans52.933.5-178.8-55.3-178.5-179.1-175-1.4113.4K374 L375 K376K374-R378 PolarHBondContact O-N 3.18Å; K374-R378 VanDerWaalsContact O-N 3.15Å; L375-R378 WeakPolarHBondContact O-CA 3.28Å; L375-R378 PolarHBondContact O-N 3.29Å; K376-R378 PolarHBondContact O-N 3.01Å
379K83.2Confident93Very high118 Ų11879.3 Ų79.351%0.51337%0.37SS..SBendtrans-87.5-19176.2-64.9-59-176.6-171.10113K374 R377K374-K379 HydrophobicContact CB-CB 4.32Å; K374-K379 PolarHBondContact O-N 3.23Å; R377-K379 HydrophobicContact CB-CG 4.12Å; R377-K379 PolarHBondContact O-N 3.12Å
380I87Confident93Very high17 Ų1780.6 Ų80.69%0.08738%0.383CS..SBendtrans-139.4157.5174.764.1177.2000109L371 K374 L375 Q384 K385 Y388L371-I380 HydrophobicContact CB-CD1 4.24Å; L371-I380 HydrophobicContact CD2-CD1 4.11Å; K374-I380 HydrophobicContact CB-CD1 3.94Å; K374-I380 HydrophobicContact CB-CG1 3.97Å; K374-I380 HydrophobicContact CB-CG2 4.42Å; L375-I380 HydrophobicContact CB-CG1 4.16Å; L375-I380 VanDerWaalsContact CD1-O 3.31Å; L375-I380 WeakPolarHBondContact CD1-O 3.42Å; I380-Q384 VanDerWaalsContact CA-OE1 3.25Å; I380-Q384 HydrophobicContact CB-CB 4.16Å; I380-K385 HydrophobicContact CD1-CB 3.87Å; I380-Y388 HydrophobicContact CG2-CE2 3.97Å
381T88Confident93.1Very high69 Ų6981.5 Ų81.542%0.42339%0.387SS..  trans-86.1164.9172.268.50000111.5L383 Q384 K385T381-L383 VanDerWaalsContact C-N 3.31Å; T381-L383 PolarHBondContact O-N 3.45Å; T381-Q384 PolarHBondContact O-N 3.45Å; T381-Q384 WeakPolarHBondContact OG1-CG 3.31Å; T381-Q384 PolarHBondContact OG1-N 2.88Å; T381-Q384 VanDerWaalsContact OG1-N 3.08Å; T381-K385 PolarHBondContact O-N 3.41Å
382P92.6Very high93.1Very high83 Ų8382.2 Ų82.254%0.53939%0.391SS..Hα-helixtrans-54.5-46.2170.3-26.535.6000112.4L375 Q384 K385 D386L375-P382 HydrophobicContact CD1-CG 4.12Å; P382-Q384 PolarHBondContact O-N 2.82Å; P382-K385 WeakPolarHBondContact O-CB 3.21Å; P382-K385 PolarHBondContact O-N 2.83Å; P382-K385 VanDerWaalsContact O-N 3.13Å; P382-D386 PolarHBondContact O-N 2.83Å
383L91.3Very high93.1Very high136 Ų13681.8 Ų81.871%0.71239%0.388SS*.Hα-helixtrans-60.1-42.7177.5-178.663.7000112.6T381 K385 D386 L387T381-L383 VanDerWaalsContact C-N 3.31Å; T381-L383 PolarHBondContact O-N 3.45Å; L383-K385 VanDerWaalsContact C-N 3.35Å; L383-D386 PolarHBondContact O-N 3.45Å; L383-L387 WeakPolarHBondContact O-CB 3.28Å; L383-L387 PolarHBondContact O-N 3.31Å
384Q91.8Very high93.3Very high57 Ų5778.8 Ų78.827%0.26638%0.383SS..Hα-helixtrans-63.8-40.3175.7-77174.5-36.600112I380 T381 P382 L387 Y388I380-Q384 VanDerWaalsContact CA-OE1 3.25Å; I380-Q384 HydrophobicContact CB-CB 4.16Å; T381-Q384 PolarHBondContact O-N 3.45Å; T381-Q384 WeakPolarHBondContact OG1-CG 3.31Å; T381-Q384 PolarHBondContact OG1-N 2.88Å; T381-Q384 VanDerWaalsContact OG1-N 3.08Å; P382-Q384 PolarHBondContact O-N 2.82Å; Q384-L387 PolarHBondContact O-N 3.45Å; Q384-Y388 HydrophobicContact CB-CE2 4.14Å; Q384-Y388 WeakPolarHBondContact O-CB 3.41Å; Q384-Y388 WeakPolarHBondContact O-CD2 3.41Å; Q384-Y388 PolarHBondContact O-N 2.83Å
385K95.7Very high93.6Very high36 Ų3676.8 Ų76.816%0.15738%0.377CS..Hα-helixtrans-59-49.3175.3173.2-170159.8-168.50110.5L371 N372 L375 I380 T381 P382 L383 L387 Y388 L389L371-K385 HydrophobicContact CB-CG 4.12Å; L371-K385 HydrophobicContact CD1-CG 4.49Å; N372-K385 VanDerWaalsContact OD1-CE 3.31Å; N372-K385 WeakPolarHBondContact OD1-CE 3.2Å; N372-K385 PolarHBondContact OD1-NZ 3.13Å; L375-K385 HydrophobicContact CD2-CD 4.04Å; I380-K385 HydrophobicContact CD1-CB 3.87Å; T381-K385 PolarHBondContact O-N 3.41Å; P382-K385 WeakPolarHBondContact O-CB 3.21Å; P382-K385 PolarHBondContact O-N 2.83Å; P382-K385 VanDerWaalsContact O-N 3.13Å; L383-K385 VanDerWaalsContact C-N 3.35Å; K385-L387 VanDerWaalsContact C-N 3.34Å; K385-Y388 PolarHBondContact O-N 2.87Å; K385-L389 HydrophobicContact CG-CD1 4.09Å; K385-L389 WeakPolarHBondContact O-CG 3.4Å; K385-L389 PolarHBondContact O-N 2.95Å
386D97Very high93.8Very high94 Ų9478 Ų7850%0.50339%0.386SS..Hα-helixtrans-65.9-39.8-177.2-62.8-18.5000110.9P382 L383 L389 S390P382-D386 PolarHBondContact O-N 2.83Å; L383-D386 PolarHBondContact O-N 3.45Å; D386-L389 PolarHBondContact O-N 3.06Å; D386-S390 WeakPolarHBondContact O-CB 3.37Å; D386-S390 PolarHBondContact O-N 3.45Å
387L96.2Very high93.9Very high73 Ų7373.1 Ų73.138%0.38237%0.366SS..Hα-helixtrans-58.9-49.2171.6177.863.1000111.8N347 L383 Q384 K385 L389 S390 N391N347-L387 WeakPolarHBondContact OD1-CD1 3.32Å; N347-L387 WeakPolarHBondContact OD1-CD2 3.48Å; N347-L387 VanDerWaalsContact OD1-CG 3.28Å; N347-L387 WeakPolarHBondContact OD1-CG 3.31Å; L383-L387 WeakPolarHBondContact O-CB 3.28Å; L383-L387 PolarHBondContact O-N 3.31Å; Q384-L387 PolarHBondContact O-N 3.45Å; K385-L387 VanDerWaalsContact C-N 3.34Å; L387-L389 VanDerWaalsContact C-N 3.34Å; L387-L389 PolarHBondContact O-N 3.46Å; L387-S390 PolarHBondContact O-N 2.98Å; L387-S390 PolarHBondContact O-OG 2.86Å; L387-N391 PolarHBondContact O-N 2.9Å; L387-N391 PolarHBondContact O-ND2 3.37Å; L387-N391 VanDerWaalsContact O-ND2 3.07Å
388Y98Very high94.3Very high37 Ų3766 Ų6615%0.14534%0.339CS..Hα-helixtrans-61.9-41.9178-61.4-25.7000112I344 D345 N347 L371 I380 Q384 K385 S390 N391I344-Y388 WeakPolarHBondContact CB-O 3.5Å; I344-Y388 WeakPolarHBondContact CD1-O 3.33Å; I344-Y388 VanDerWaalsContact O-CD1 3.23Å; I344-Y388 WeakPolarHBondContact O-CD1 3.48Å; D345-Y388 HydrophobicContact CB-CD2 4.34Å; N347-Y388 HydrophobicContact CB-CD1 4.5Å; N347-Y388 HydrophobicContact CB-CE1 4.24Å; L371-Y388 HydrophobicContact CD2-CD2 4.11Å; I380-Y388 HydrophobicContact CG2-CE2 3.97Å; Q384-Y388 HydrophobicContact CB-CE2 4.14Å; Q384-Y388 WeakPolarHBondContact O-CB 3.41Å; Q384-Y388 WeakPolarHBondContact O-CD2 3.41Å; Q384-Y388 PolarHBondContact O-N 2.83Å; K385-Y388 PolarHBondContact O-N 2.87Å; Y388-S390 VanDerWaalsContact C-N 3.33Å; Y388-S390 PolarHBondContact O-N 2.7Å; Y388-N391 WeakPolarHBondContact O-CB 3.46Å; Y388-N391 PolarHBondContact O-N 3.18Å
389L98.4Very high94.9Very high43 Ų4362.6 Ų62.623%0.22533%0.33CS..Hα-helixtrans-64.4-37175.8-73173.4000112.2I367 T368 L371 K385 D386 L387 N391 L392I367-L389 HydrophobicContact CG2-CD2 4.33Å; T368-L389 HydrophobicContact CG2-CD1 4.48Å; L371-L389 HydrophobicContact CD1-CD2 3.74Å; L371-L389 HydrophobicContact CD1-CG 3.77Å; K385-L389 HydrophobicContact CG-CD1 4.09Å; K385-L389 WeakPolarHBondContact O-CG 3.4Å; K385-L389 PolarHBondContact O-N 2.95Å; D386-L389 PolarHBondContact O-N 3.06Å; L387-L389 VanDerWaalsContact C-N 3.34Å; L387-L389 PolarHBondContact O-N 3.46Å; L389-N391 PolarHBondContact O-N 3.43Å; L389-L392 WeakPolarHBondContact O-CB 3.45Å; L389-L392 PolarHBondContact O-N 3.18Å
390S98Very high95.6Very high81 Ų8158.5 Ų58.557%0.56632%0.318SS*.Hα-helixtrans-63.9-21.3177.277.20000113.9D386 L387 Y388 L392D386-S390 WeakPolarHBondContact O-CB 3.37Å; D386-S390 PolarHBondContact O-N 3.45Å; L387-S390 PolarHBondContact O-N 2.98Å; L387-S390 PolarHBondContact O-OG 2.86Å; Y388-S390 VanDerWaalsContact C-N 3.33Å; Y388-S390 PolarHBondContact O-N 2.7Å; S390-L392 VanDerWaalsContact C-N 3.31Å
391N98.5Very high96Very high22 Ų2257.7 Ų57.712%0.11831%0.314CS..THydrogen-bonded Turntrans-77-15.6174.5-74.2-56.5000113.3I344 N347 C350 L387 Y388 L389I344-N391 HydrophobicContact CB-CB 4Å; I344-N391 HydrophobicContact CG2-CB 3.99Å; N347-N391 PolarHBondContact OD1-ND2 2.92Å; C350-N391 PolarHBondContact N-O 2.9Å; L387-N391 PolarHBondContact O-N 2.9Å; L387-N391 PolarHBondContact O-ND2 3.37Å; L387-N391 VanDerWaalsContact O-ND2 3.07Å; Y388-N391 WeakPolarHBondContact O-CB 3.46Å; Y388-N391 PolarHBondContact O-N 3.18Å; L389-N391 PolarHBondContact O-N 3.43Å
392L98.7Very high96.4Very high17 Ų1760 Ų609%0.08932%0.318CS..EExtended strand (participates in β ladder)trans-87.2122.2179.2-174.764.5000110.6A340 I344 L352 E364 I367 L389 S390A340-L392 HydrophobicContact CB-CD1 4.14Å; I344-L392 HydrophobicContact CD1-CB 3.91Å; I344-L392 HydrophobicContact CD1-CD2 4.41Å; I344-L392 HydrophobicContact CG2-CB 4.16Å; I344-L392 HydrophobicContact CG2-CD1 4.35Å; L352-L392 HydrophobicContact CB-CD1 3.96Å; L352-L392 HydrophobicContact CD2-CD1 4.39Å; E364-L392 HydrophobicContact CG-CD2 3.99Å; I367-L392 HydrophobicContact CD1-CD1 4.24Å; I367-L392 HydrophobicContact CD1-CD2 3.74Å; I367-L392 HydrophobicContact CG2-CD2 4.42Å; L389-L392 WeakPolarHBondContact O-CB 3.45Å; L389-L392 PolarHBondContact O-N 3.18Å; S390-L392 VanDerWaalsContact C-N 3.31Å
393I98.3Very high96.6Very high47 Ų4760.7 Ų60.724%0.24132%0.318CS..EExtended strand (participates in β ladder)trans-121.292.7179.9-57.7170.3000108.2R349 C350 V351 L352R349-I393 HydrophobicContact CG-CD1 3.92Å; R349-I393 VanDerWaalsContact NH2-CD1 3.31Å; C350-I393 PolarHBondContact O-N 2.95Å; V351-I393 CarbonylContact C-O 3.59Å; V351-I393 VanDerWaalsContact CA-O 3.32Å; V351-I393 WeakPolarHBondContact CA-O 3.45Å; V351-I393 HydrophobicContact CG2-CB 4.19Å; V351-I393 HydrophobicContact CG2-CD1 4.35Å; V351-I393 HydrophobicContact CG2-CG2 4.44Å; L352-I393 PolarHBondContact N-O 3.11Å
394P98.5Very high96.9Very high46 Ų4654.5 Ų54.530%0.29929%0.286SS..EExtended strand (participates in β ladder)trans-68.2140172.831.6-36.8000110L352 L360 E364L352-P394 CarbonylContact O-C 3.58Å; L352-P394 WeakPolarHBondContact O-CA 3.44Å; L360-P394 HydrophobicContact CB-CB 4.31Å; L360-P394 HydrophobicContact CD1-CB 4.4Å; L360-P394 HydrophobicContact CD2-CB 4.3Å; E364-P394 HydrophobicContact CG-CB 4.44Å; E364-P394 HydrophobicContact CG-CG 4.44Å
395S98.4Very high97.2Very high20 Ų2053.2 Ų53.214%0.1428%0.281CS..EExtended strand (participates in β ladder)trans-153.2149.3174-171.10000112L352 K353 D354 L360 E397 A400L352-S395 PolarHBondContact O-N 2.98Å; K353-S395 VanDerWaalsContact CA-O 3.24Å; K353-S395 WeakPolarHBondContact CA-O 3.49Å; D354-S395 PolarHBondContact N-O 3.39Å; L360-S395 WeakPolarHBondContact CD1-O 3.33Å; S395-E397 PolarHBondContact OG-N 3.46Å; S395-E397 VanDerWaalsContact OG-N 3.16Å; S395-E397 PolarHBondContact OG-O 3.25Å; S395-A400 WeakPolarHBondContact OG-CB 3.36Å
396V97.8Very high97.3Very high73 Ų7351.5 Ų51.544%0.44227%0.273SS..SBendtrans-93.9-6.1169.7-630000113.4D354 L360D354-V396 VanDerWaalsContact O-CA 3.25Å; D354-V396 WeakPolarHBondContact O-CA 3.26Å; L360-V396 HydrophobicContact CD1-CG1 3.78Å
397E96.5Very high97.4Very high88 Ų8847 Ų4741%0.41125%0.249SC..SBendtrans-112.9136.6-170.9-60.1178.712600111.9S395 K399 A400S395-E397 PolarHBondContact OG-N 3.46Å; S395-E397 VanDerWaalsContact OG-N 3.16Å; S395-E397 PolarHBondContact OG-O 3.25Å; E397-K399 HydrophobicContact CB-CD 4.41Å; E397-K399 HydrophobicContact CB-CG 4.05Å; E397-K399 PolarHBondContact O-N 3.29Å; E397-K399 IonicContact OE1-NZ 2.74Å; E397-K399 PolarHBondContact OE1-NZ 3.48Å; E397-K399 WeakPolarHBondContact OE2-CD 3.39Å; E397-K399 WeakPolarHBondContact OE2-CE 3.16Å; E397-K399 IonicContact OE2-NZ 3.86Å; E397-K399 PolarHBondContact OE2-NZ 2.92Å; E397-A400 WeakPolarHBondContact O-CB 3.43Å; E397-A400 PolarHBondContact O-N 3.49Å
398Y94.4Very high97.5Very high34 Ų3443.6 Ų43.613%0.13323%0.231CC..G310 helixtrans-63.6-22.7174.1-74.1-71000113.7V330 K353 A400 I401 E424 L425 H428V330-Y398 HydrophobicContact CG1-CE1 4.48Å; K353-Y398 HydrophobicContact CD-CD1 4.28Å; K353-Y398 HydrophobicContact CD-CE1 4.11Å; K353-Y398 PolarHBondContact NZ-OH 3.37Å; Y398-A400 PolarHBondContact O-N 2.88Å; Y398-I401 HydrophobicContact CD1-CD1 4.09Å; Y398-I401 WeakPolarHBondContact O-CG1 3.2Å; Y398-I401 PolarHBondContact O-N 2.89Å; Y398-I401 VanDerWaalsContact O-N 3.13Å; Y398-E424 HydrophobicContact CE2-CB 4.03Å; Y398-E424 WeakPolarHBondContact CE2-OE2 3.27Å; Y398-E424 PolarHBondContact OH-OE2 3.25Å; Y398-L425 HydrophobicContact CD1-CD2 4.04Å; Y398-L425 HydrophobicContact CE1-CD2 3.9Å; Y398-L425 HydrophobicContact CE1-CG 4.48Å; Y398-H428 WeakPolarHBondContact CB-CD2 3.29Å; Y398-H428 AromaticContact CG-CD2 3.83Å
399K95.2Very high97.5Very high123 Ų12341.8 Ų41.854%0.53522%0.224SC..G310 helixtrans-61.1-21.517878.6-165.5-162.6-147.50113.1E397 I401 K402E397-K399 HydrophobicContact CB-CD 4.41Å; E397-K399 HydrophobicContact CB-CG 4.05Å; E397-K399 PolarHBondContact O-N 3.29Å; E397-K399 IonicContact OE1-NZ 2.74Å; E397-K399 PolarHBondContact OE1-NZ 3.48Å; E397-K399 WeakPolarHBondContact OE2-CD 3.39Å; E397-K399 WeakPolarHBondContact OE2-CE 3.16Å; E397-K399 IonicContact OE2-NZ 3.86Å; E397-K399 PolarHBondContact OE2-NZ 2.92Å; K399-I401 VanDerWaalsContact C-N 3.3Å; K399-I401 PolarHBondContact O-N 3.34Å; K399-K402 WeakPolarHBondContact O-CB 3.43Å; K399-K402 WeakPolarHBondContact O-CG 3.49Å; K399-K402 PolarHBondContact O-N 3.15Å
400A96.6Very high97.5Very high33 Ų3340.2 Ų40.227%0.27322%0.218SC..G310 helixtrans-69.8-24.1178.700000113.5V351 S395 E397 Y398 K402V351-A400 HydrophobicContact CG1-CB 3.77Å; S395-A400 WeakPolarHBondContact OG-CB 3.36Å; E397-A400 WeakPolarHBondContact O-CB 3.43Å; E397-A400 PolarHBondContact O-N 3.49Å; Y398-A400 PolarHBondContact O-N 2.88Å; A400-K402 VanDerWaalsContact C-N 3.33Å
401I96.5Very high97.4Very high0 Ų038 Ų380%020%0.2CC..G310 helixtrans-90.37.3-179.957.8157.8000113.3V351 Y398 K399 D403 A404 V407 L425 V429V351-I401 HydrophobicContact CB-CG2 3.98Å; V351-I401 HydrophobicContact CG1-CG2 3.61Å; Y398-I401 HydrophobicContact CD1-CD1 4.09Å; Y398-I401 WeakPolarHBondContact O-CG1 3.2Å; Y398-I401 PolarHBondContact O-N 2.89Å; Y398-I401 VanDerWaalsContact O-N 3.13Å; K399-I401 VanDerWaalsContact C-N 3.3Å; K399-I401 PolarHBondContact O-N 3.34Å; I401-D403 PolarHBondContact O-N 2.86Å; I401-D403 VanDerWaalsContact O-N 3.11Å; I401-A404 HydrophobicContact CB-CB 4.42Å; I401-A404 WeakPolarHBondContact O-CB 3.38Å; I401-A404 PolarHBondContact O-N 2.99Å; I401-V407 HydrophobicContact CD1-CG2 4.15Å; I401-L425 HydrophobicContact CD1-CD2 3.15Å; I401-V429 HydrophobicContact CD1-CG1 3.73Å; I401-V429 HydrophobicContact CG1-CG1 4.22Å
402K96.7Very high97Very high117 Ų11745.1 Ų45.151%0.50923%0.231SC..THydrogen-bonded Turntrans-56.8-32.7-171.370.4-177.8-175.170.90115.1K399 A400 H428K399-K402 WeakPolarHBondContact O-CB 3.43Å; K399-K402 WeakPolarHBondContact O-CG 3.49Å; K399-K402 PolarHBondContact O-N 3.15Å; A400-K402 VanDerWaalsContact C-N 3.33Å; K402-H428 WeakPolarHBondContact CA-O 3.39Å; K402-H428 WeakPolarHBondContact CB-O 3.45Å
403D95.5Very high96.5Very high98 Ų9847.7 Ų47.752%0.52424%0.242SC..THydrogen-bonded Turntrans-95.24.5-178.1-54.5-45.3000112.2I401 N405I401-D403 PolarHBondContact O-N 2.86Å; I401-D403 VanDerWaalsContact O-N 3.11Å; D403-N405 PolarHBondContact O-N 3.07Å
404A98.1Very high96.2Very high5 Ų549.2 Ų49.24%0.04125%0.251CS..  trans-65.9131.9-179.400000111.5V326 I401 V407 C433V326-A404 HydrophobicContact CG1-CB 4.4Å; V326-A404 WeakPolarHBondContact O-CA 3.33Å; I401-A404 HydrophobicContact CB-CB 4.42Å; I401-A404 WeakPolarHBondContact O-CB 3.38Å; I401-A404 PolarHBondContact O-N 2.99Å; A404-V407 HydrophobicContact CB-CG2 3.77Å; A404-C433 PolarHBondContact O-SG 3.39Å
405N97.3Very high95.9Very high31 Ų3149.9 Ų49.917%0.16625%0.252CS..SBendtrans-84-23.1173.8-45.8111000111.7A323 E325 V326 D403 V434 R487A323-N405 WeakPolarHBondContact O-CB 3.32Å; A323-N405 PolarHBondContact O-OD1 3.13Å; E325-N405 PolarHBondContact N-OD1 3.33Å; V326-N405 PolarHBondContact N-OD1 3.48Å; V326-N405 PolarHBondContact O-N 3.4Å; D403-N405 PolarHBondContact O-N 3.07Å; N405-V434 PolarHBondContact O-N 3.19Å; N405-V434 VanDerWaalsContact O-N 3.07Å; N405-R487 PolarHBondContact O-NH1 2.96Å
406I98.7Very high95.8Very high0 Ų057 Ų570%028%0.28CS..EExtended strand (participates in β ladder)trans-147.2136.5174.7-177.3164.1000109.2A324 V327 G328 V434 A436 A488 L491A324-I406 HydrophobicContact CB-CG2 3.68Å; V327-I406 WeakPolarHBondContact CA-O 3.25Å; V327-I406 HydrophobicContact CG1-CG2 4.45Å; V327-I406 HydrophobicContact CG2-CG2 3.98Å; G328-I406 PolarHBondContact N-O 3.21Å; I406-V434 CarbonylContact C-O 3.6Å; I406-V434 VanDerWaalsContact CA-O 3.24Å; I406-V434 WeakPolarHBondContact CA-O 3.24Å; I406-V434 HydrophobicContact CB-CB 4.16Å; I406-V434 HydrophobicContact CD1-CB 4.15Å; I406-V434 HydrophobicContact CD1-CG1 3.79Å; I406-V434 HydrophobicContact CG1-CB 3.92Å; I406-V434 HydrophobicContact CG1-CG1 3.93Å; I406-A436 HydrophobicContact CD1-CB 4.29Å; I406-A436 HydrophobicContact CG1-CB 4.4Å; I406-A488 HydrophobicContact CD1-CB 4.37Å; I406-L491 HydrophobicContact CD1-CD2 4.04Å; I406-L491 HydrophobicContact CG2-CD2 3.85Å
407V98.8Very high95.8Very high0 Ų056.4 Ų56.40%027%0.274CS..EExtended strand (participates in β ladder)trans-117.4126.5173.61790000109.3G328 V330 I401 A404 L425 V429 V434 A436G328-V407 CarbonylContact O-C 3.56Å; G328-V407 WeakPolarHBondContact O-CA 3.48Å; V330-V407 HydrophobicContact CG2-CG1 3.87Å; I401-V407 HydrophobicContact CD1-CG2 4.15Å; A404-V407 HydrophobicContact CB-CG2 3.77Å; V407-L425 HydrophobicContact CG1-CD1 3.85Å; V407-L425 HydrophobicContact CG1-CD2 3.79Å; V407-L425 HydrophobicContact CG1-CG 4.49Å; V407-V429 HydrophobicContact CG2-CG1 3.91Å; V407-V434 PolarHBondContact N-O 3.4Å; V407-A436 PolarHBondContact O-N 2.89Å
408I98.9Very high95.8Very high0 Ų052.2 Ų52.20%025%0.254CS..EExtended strand (participates in β ladder)trans-98.8109.4175.1-51.8175.4000108.8V327 G328 V329 V330 I339 A436 N438 L460 Y462 L491V327-I408 HydrophobicContact CG1-CD1 4.17Å; V327-I408 HydrophobicContact CG1-CG1 4.41Å; G328-I408 PolarHBondContact O-N 2.94Å; V329-I408 CarbonylContact C-O 3.58Å; V329-I408 WeakPolarHBondContact CA-O 3.3Å; V330-I408 PolarHBondContact N-O 3.38Å; I339-I408 HydrophobicContact CD1-CG2 4.11Å; I339-I408 HydrophobicContact CG2-CD1 3.55Å; I339-I408 HydrophobicContact CG2-CG2 4.5Å; I408-A436 CarbonylContact C-O 3.46Å; I408-A436 VanDerWaalsContact CA-O 3.22Å; I408-A436 WeakPolarHBondContact CA-O 3.46Å; I408-A436 HydrophobicContact CG1-CB 4.27Å; I408-N438 HydrophobicContact CG2-CB 4.33Å; I408-L460 HydrophobicContact CD1-CD1 3.96Å; I408-L460 HydrophobicContact CG1-CD1 4.04Å; I408-Y462 HydrophobicContact CD1-CE2 4.17Å; I408-Y462 HydrophobicContact CG2-CE2 4.45Å; I408-L491 HydrophobicContact CD1-CD2 3.8Å; I408-L491 HydrophobicContact CG1-CD2 4.49Å
409E98.6Very high96Very high0 Ų052.6 Ų52.60%026%0.258CS..EExtended strand (participates in β ladder)trans-79.9120.2171177.9-77.212000109.2V411 K418 I421 A436 T437 N438E409-V411 HydrophobicContact CG-CG2 4.32Å; E409-V411 WeakPolarHBondContact OE1-CG2 3.48Å; E409-V411 PolarHBondContact OE1-N 2.99Å; E409-K418 IonicContact OE1-NZ 3.5Å; E409-K418 PolarHBondContact OE1-NZ 3.41Å; E409-K418 IonicContact OE2-NZ 3.74Å; E409-K418 PolarHBondContact OE2-NZ 2.72Å; E409-I421 HydrophobicContact CG-CG2 3.93Å; E409-A436 PolarHBondContact N-O 3.31Å; E409-T437 WeakPolarHBondContact OE2-CB 3.32Å; E409-T437 PolarHBondContact OE2-OG1 3.04Å; E409-N438 WeakPolarHBondContact O-CB 3.33Å; E409-N438 PolarHBondContact O-N 3.36Å
410A98Very high96.2Very high10 Ų1052.6 Ų52.68%0.08326%0.257CS..  trans-136.646.1-177.500000111.4V330 I339 N438V330-A410 CarbonylContact O-C 3.39Å; V330-A410 WeakPolarHBondContact O-CA 3.46Å; V330-A410 PolarHBondContact O-N 3.03Å; I339-A410 HydrophobicContact CD1-CB 4.18Å; A410-N438 HydrophobicContact CB-CB 4.2Å
411V96Very high96.2Very high33 Ų3351.4 Ų51.420%0.225%0.246CC..  trans-90.5-176.8175.4-55.30000112.2V330 E409 L417 K418 I421V330-V411 HydrophobicContact CG1-CG1 4.1Å; E409-V411 HydrophobicContact CG-CG2 4.32Å; E409-V411 WeakPolarHBondContact OE1-CG2 3.48Å; E409-V411 PolarHBondContact OE1-N 2.99Å; V411-L417 HydrophobicContact CB-CD2 4.44Å; V411-L417 HydrophobicContact CG2-CD2 3.91Å; V411-L417 HydrophobicContact CG2-CG 4.07Å; V411-K418 HydrophobicContact CG2-CG 4.12Å; V411-I421 HydrophobicContact CB-CD1 3.96Å; V411-I421 HydrophobicContact CG1-CD1 3.56Å; V411-I421 HydrophobicContact CG2-CD1 3.28Å
412F90.4Very high96.3Very high173 Ų17351.4 Ų51.476%0.75925%0.246SC*.  trans-52.3146.7177.2-68.1-75.8000112.8D414 L417 K418F412-D414 PolarHBondContact O-N 2.84Å; F412-L417 HydrophobicContact CB-CD2 4.13Å; F412-K418 WeakPolarHBondContact O-CE 3.37Å
413E87.5Confident96.3Very high70 Ų7048.5 Ų48.533%0.32724%0.238SC..SBendtrans-74.669.6-177.5-163.375.816400111.1K418 T439 S440 A441 I442E413-K418 VanDerWaalsContact OE2-CE 3.28Å; E413-K418 WeakPolarHBondContact OE2-CE 3.15Å; E413-K418 IonicContact OE2-NZ 3.81Å; E413-T439 PolarHBondContact OE1-OG1 3.41Å; E413-T439 VanDerWaalsContact OE1-OG1 3.08Å; E413-S440 PolarHBondContact OE1-N 3.33Å; E413-S440 VanDerWaalsContact OE1-N 3.13Å; E413-A441 PolarHBondContact OE1-N 2.93Å; E413-I442 HydrophobicContact CG-CD1 3.89Å; E413-I442 HydrophobicContact CG-CG1 4.22Å
414D91.3Very high96.4Very high79 Ų7946.3 Ų46.342%0.42223%0.225SC..  trans-131.8123.6175.8178.2-79.8000109.9F412 K416 L417 K418F412-D414 PolarHBondContact O-N 2.84Å; D414-K416 PolarHBondContact O-N 2.97Å; D414-K416 WeakPolarHBondContact OD1-CA 3.4Å; D414-K416 WeakPolarHBondContact OD1-CB 3.37Å; D414-K416 PolarHBondContact OD1-N 3.22Å; D414-L417 HydrophobicContact CB-CB 3.92Å; D414-L417 PolarHBondContact O-N 3.28Å; D414-L417 WeakPolarHBondContact OD1-CB 3.28Å; D414-L417 PolarHBondContact OD1-N 3.12Å; D414-K418 WeakPolarHBondContact O-CB 3.49Å; D414-K418 WeakPolarHBondContact O-CG 3.4Å; D414-K418 PolarHBondContact O-N 3.3Å
415L92.3Very high96.4Very high61 Ų6146 Ų4632%0.31922%0.223SC..Hα-helixtrans-61.3-43.8-175173.762.4000112.1K418 Q419 I442 K446 I447L415-K418 PolarHBondContact O-N 2.95Å; L415-Q419 HydrophobicContact CD1-CG 3.98Å; L415-Q419 HydrophobicContact CG-CG 4.46Å; L415-Q419 WeakPolarHBondContact O-CB 3.34Å; L415-Q419 WeakPolarHBondContact O-CG 3.45Å; L415-Q419 PolarHBondContact O-N 3.25Å; L415-I442 HydrophobicContact CB-CD1 4.39Å; L415-I442 HydrophobicContact CB-CG2 4.39Å; L415-I442 HydrophobicContact CD1-CG2 3.84Å; L415-K446 HydrophobicContact CD1-CB 4.2Å; L415-I447 HydrophobicContact CD1-CG1 3.77Å
416K97.3Very high96.4Very high168 Ų16845.4 Ų45.473%0.7322%0.219SC*.Hα-helixtrans-67.7-41.1-176.7-66.9-176.8179.9178.10110.7D414 K420D414-K416 PolarHBondContact O-N 2.97Å; D414-K416 WeakPolarHBondContact OD1-CA 3.4Å; D414-K416 WeakPolarHBondContact OD1-CB 3.37Å; D414-K416 PolarHBondContact OD1-N 3.22Å; K416-K420 VanDerWaalsContact O-CB 3.28Å; K416-K420 WeakPolarHBondContact O-CB 3.35Å; K416-K420 PolarHBondContact O-N 3.4Å
417L96.7Very high96.3Very high61 Ų6151.8 Ų51.832%0.31925%0.249SC..Hα-helixtrans-62.2-48.4175.4179.162.2000111V411 F412 D414 K420 I421V411-L417 HydrophobicContact CB-CD2 4.44Å; V411-L417 HydrophobicContact CG2-CD2 3.91Å; V411-L417 HydrophobicContact CG2-CG 4.07Å; F412-L417 HydrophobicContact CB-CD2 4.13Å; D414-L417 HydrophobicContact CB-CB 3.92Å; D414-L417 PolarHBondContact O-N 3.28Å; D414-L417 WeakPolarHBondContact OD1-CB 3.28Å; D414-L417 PolarHBondContact OD1-N 3.12Å; L417-K420 PolarHBondContact O-N 3.06Å; L417-I421 HydrophobicContact CD1-CD1 3.97Å; L417-I421 HydrophobicContact CD1-CG1 4.38Å; L417-I421 HydrophobicContact CG-CD1 3.92Å; L417-I421 VanDerWaalsContact O-CG1 3.32Å; L417-I421 WeakPolarHBondContact O-CG1 3.45Å; L417-I421 PolarHBondContact O-N 3.44Å
418K97.6Very high96.2Very high0 Ų055.3 Ų55.30%027%0.265CS..Hα-helixtrans-61.8-44.9178.5-71.9-178.2177.5-750111.6E409 V411 F412 E413 D414 L415 I421 I422 N438 I442 I447E409-K418 IonicContact OE1-NZ 3.5Å; E409-K418 PolarHBondContact OE1-NZ 3.41Å; E409-K418 IonicContact OE2-NZ 3.74Å; E409-K418 PolarHBondContact OE2-NZ 2.72Å; V411-K418 HydrophobicContact CG2-CG 4.12Å; F412-K418 WeakPolarHBondContact O-CE 3.37Å; E413-K418 VanDerWaalsContact OE2-CE 3.28Å; E413-K418 WeakPolarHBondContact OE2-CE 3.15Å; E413-K418 IonicContact OE2-NZ 3.81Å; D414-K418 WeakPolarHBondContact O-CB 3.49Å; D414-K418 WeakPolarHBondContact O-CG 3.4Å; D414-K418 PolarHBondContact O-N 3.3Å; L415-K418 PolarHBondContact O-N 2.95Å; K418-I421 PolarHBondContact O-N 3.05Å; K418-I422 WeakPolarHBondContact O-CG1 3.26Å; K418-I422 PolarHBondContact O-N 2.95Å; K418-N438 PolarHBondContact NZ-O 3.27Å; K418-I442 HydrophobicContact CD-CD1 4.35Å; K418-I447 HydrophobicContact CB-CG1 4.37Å; K418-I447 HydrophobicContact CB-CG2 4.39Å; K418-I447 HydrophobicContact CD-CD1 3.84Å; K418-I447 HydrophobicContact CD-CG1 4.44Å
419Q98.6Very high96.2Very high43 Ų4356 Ų5620%0.20127%0.269CS..Hα-helixtrans-59.3-47.4174.2-80.3-177.9-17.700112.2L415 I421 I422 T423 K446 A450L415-Q419 HydrophobicContact CD1-CG 3.98Å; L415-Q419 HydrophobicContact CG-CG 4.46Å; L415-Q419 WeakPolarHBondContact O-CB 3.34Å; L415-Q419 WeakPolarHBondContact O-CG 3.45Å; L415-Q419 PolarHBondContact O-N 3.25Å; Q419-I421 VanDerWaalsContact C-N 3.32Å; Q419-I421 PolarHBondContact O-N 3.45Å; Q419-I422 PolarHBondContact O-N 2.88Å; Q419-T423 PolarHBondContact O-N 3.36Å; Q419-T423 VanDerWaalsContact O-N 3.09Å; Q419-T423 PolarHBondContact O-OG1 3.5Å; Q419-K446 PolarHBondContact NE2-O 3.01Å; Q419-A450 HydrophobicContact CB-CB 3.52Å; Q419-A450 HydrophobicContact CG-CB 3.69Å; Q419-A450 WeakPolarHBondContact O-CB 3.45Å
420K98.1Very high96Very high122 Ų12257.5 Ų57.553%0.5329%0.285SS..Hα-helixtrans-56.3-46.8175.5175-178170.2-179.10111.3K416 L417 I422 T423 E424K416-K420 VanDerWaalsContact O-CB 3.28Å; K416-K420 WeakPolarHBondContact O-CB 3.35Å; K416-K420 PolarHBondContact O-N 3.4Å; L417-K420 PolarHBondContact O-N 3.06Å; K420-I422 VanDerWaalsContact C-N 3.34Å; K420-I422 PolarHBondContact O-N 3.43Å; K420-T423 PolarHBondContact O-N 3.31Å; K420-E424 WeakPolarHBondContact CE-OE1 3.49Å; K420-E424 IonicContact NZ-OE1 2.69Å; K420-E424 WeakPolarHBondContact O-CG 3.28Å; K420-E424 PolarHBondContact O-N 3.14Å
421I97.8Very high95.9Very high8 Ų861 Ų614%0.04131%0.307CS..Hα-helixtrans-62.1-42.6179.3-72.3164.6000110.7V330 E409 V411 L417 K418 Q419 T423 E424 L425V330-I421 HydrophobicContact CG1-CG2 4.11Å; E409-I421 HydrophobicContact CG-CG2 3.93Å; V411-I421 HydrophobicContact CB-CD1 3.96Å; V411-I421 HydrophobicContact CG1-CD1 3.56Å; V411-I421 HydrophobicContact CG2-CD1 3.28Å; L417-I421 HydrophobicContact CD1-CD1 3.97Å; L417-I421 HydrophobicContact CD1-CG1 4.38Å; L417-I421 HydrophobicContact CG-CD1 3.92Å; L417-I421 VanDerWaalsContact O-CG1 3.32Å; L417-I421 WeakPolarHBondContact O-CG1 3.45Å; L417-I421 PolarHBondContact O-N 3.44Å; K418-I421 PolarHBondContact O-N 3.05Å; Q419-I421 VanDerWaalsContact C-N 3.32Å; Q419-I421 PolarHBondContact O-N 3.45Å; I421-T423 VanDerWaalsContact C-N 3.32Å; I421-T423 PolarHBondContact O-N 2.9Å; I421-E424 PolarHBondContact O-N 3.41Å; I421-E424 VanDerWaalsContact O-N 3.16Å; I421-L425 HydrophobicContact CG2-CD1 3.88Å; I421-L425 HydrophobicContact CG2-CG 3.98Å; I421-L425 WeakPolarHBondContact O-CB 3.47Å; I421-L425 WeakPolarHBondContact O-CG 3.39Å; I421-L425 PolarHBondContact O-N 3.47Å
422I97.9Very high95.8Very high0 Ų063.3 Ų63.30%032%0.318CS..Hα-helixtrans-57.7-46.5175.9-71.8-171.6000111.3K418 Q419 K420 E424 L425 E426 I435 I447K418-I422 WeakPolarHBondContact O-CG1 3.26Å; K418-I422 PolarHBondContact O-N 2.95Å; Q419-I422 PolarHBondContact O-N 2.88Å; K420-I422 VanDerWaalsContact C-N 3.34Å; K420-I422 PolarHBondContact O-N 3.43Å; I422-E424 VanDerWaalsContact C-N 3.29Å; I422-E424 PolarHBondContact O-N 3.14Å; I422-L425 WeakPolarHBondContact O-CB 3.43Å; I422-L425 PolarHBondContact O-N 3.15Å; I422-E426 WeakPolarHBondContact O-CG 3.32Å; I422-E426 PolarHBondContact O-N 3.32Å; I422-I435 HydrophobicContact CD1-CG2 4.1Å; I422-I435 HydrophobicContact CG1-CG2 3.96Å; I422-I435 HydrophobicContact CG2-CD1 4.29Å; I422-I447 HydrophobicContact CD1-CG2 3.22Å; I422-I447 HydrophobicContact CG1-CG2 4.36Å
423T98Very high96.2Very high56 Ų5655.4 Ų55.434%0.34428%0.284SS..Hα-helixtrans-62.1-36.5177.4-550000112.5Q419 K420 I421 Q427 A450Q419-T423 PolarHBondContact O-N 3.36Å; Q419-T423 VanDerWaalsContact O-N 3.09Å; Q419-T423 PolarHBondContact O-OG1 3.5Å; K420-T423 PolarHBondContact O-N 3.31Å; I421-T423 VanDerWaalsContact C-N 3.32Å; I421-T423 PolarHBondContact O-N 2.9Å; T423-Q427 WeakPolarHBondContact O-CG 3.47Å; T423-Q427 PolarHBondContact O-NE2 3.07Å; T423-A450 PolarHBondContact OG1-O 2.92Å
424E96.9Very high96.7Very high52 Ų5252.1 Ų52.124%0.24327%0.269CS..Hα-helixtrans-69.5-45.1174.6-71.1174.6177.700111.6Y398 K420 I421 I422 E426 Q427 H428Y398-E424 HydrophobicContact CE2-CB 4.03Å; Y398-E424 WeakPolarHBondContact CE2-OE2 3.27Å; Y398-E424 PolarHBondContact OH-OE2 3.25Å; K420-E424 WeakPolarHBondContact CE-OE1 3.49Å; K420-E424 IonicContact NZ-OE1 2.69Å; K420-E424 WeakPolarHBondContact O-CG 3.28Å; K420-E424 PolarHBondContact O-N 3.14Å; I421-E424 PolarHBondContact O-N 3.41Å; I421-E424 VanDerWaalsContact O-N 3.16Å; I422-E424 VanDerWaalsContact C-N 3.29Å; I422-E424 PolarHBondContact O-N 3.14Å; E424-E426 VanDerWaalsContact C-N 3.32Å; E424-E426 PolarHBondContact O-N 3.13Å; E424-Q427 WeakPolarHBondContact O-CB 3.41Å; E424-Q427 PolarHBondContact O-N 3.13Å; E424-Q427 VanDerWaalsContact O-N 3.15Å; E424-H428 PolarHBondContact O-CD2 3.26Å
425L97.5Very high97.1Very high0 Ų048.5 Ų48.50%025%0.25CC..Hα-helixtrans-54.6-47.8178.1-75.2177.9000111.6V330 Y398 I401 V407 I421 I422 Q427 H428 V429 I435V330-L425 HydrophobicContact CG2-CD2 3.87Å; Y398-L425 HydrophobicContact CD1-CD2 4.04Å; Y398-L425 HydrophobicContact CE1-CD2 3.9Å; Y398-L425 HydrophobicContact CE1-CG 4.48Å; I401-L425 HydrophobicContact CD1-CD2 3.15Å; V407-L425 HydrophobicContact CG1-CD1 3.85Å; V407-L425 HydrophobicContact CG1-CD2 3.79Å; V407-L425 HydrophobicContact CG1-CG 4.49Å; I421-L425 HydrophobicContact CG2-CD1 3.88Å; I421-L425 HydrophobicContact CG2-CG 3.98Å; I421-L425 WeakPolarHBondContact O-CB 3.47Å; I421-L425 WeakPolarHBondContact O-CG 3.39Å; I421-L425 PolarHBondContact O-N 3.47Å; I422-L425 WeakPolarHBondContact O-CB 3.43Å; I422-L425 PolarHBondContact O-N 3.15Å; L425-Q427 PolarHBondContact O-N 3.44Å; L425-Q427 VanDerWaalsContact O-N 3.1Å; L425-H428 PolarHBondContact O-N 2.95Å; L425-V429 WeakPolarHBondContact O-CG2 3.42Å; L425-V429 PolarHBondContact O-N 3.32Å; L425-I435 HydrophobicContact CB-CD1 4.21Å; L425-I435 HydrophobicContact CD1-CG2 4.14Å
426E97.3Very high97.4Very high17 Ų1745.6 Ų45.68%0.07923%0.234CC..Hα-helixtrans-61.7-18.7-177.8-77.2-158.6119.700114.9I422 E424 H428 I435 S451 K452 R453I422-E426 WeakPolarHBondContact O-CG 3.32Å; I422-E426 PolarHBondContact O-N 3.32Å; E424-E426 VanDerWaalsContact C-N 3.32Å; E424-E426 PolarHBondContact O-N 3.13Å; E426-H428 VanDerWaalsContact C-N 3.35Å; E426-I435 HydrophobicContact CG-CD1 3.7Å; E426-S451 PolarHBondContact OE1-OG 3.21Å; E426-K452 PolarHBondContact OE1-N 2.86Å; E426-K452 WeakPolarHBondContact OE2-CB 3.49Å; E426-K452 PolarHBondContact OE2-N 3.23Å; E426-R453 PolarHBondContact O-NH2 3.11Å; E426-R453 VanDerWaalsContact O-NH2 3.08Å; E426-R453 IonicContact OE1-CZ 3.3Å; E426-R453 PolarHBondContact OE1-N 3.02Å; E426-R453 IonicContact OE1-NE 2.77Å; E426-R453 PolarHBondContact OE1-NE 3.43Å; E426-R453 IonicContact OE1-NH2 3.01Å; E426-R453 PolarHBondContact OE1-NH2 2.89Å
427Q96.8Very high97.4Very high134 Ų13437.6 Ų37.663%0.62620%0.2SC*.Hα-helixtrans-81.3-18174.8-63.8168.450.700112.5T423 E424 L425T423-Q427 WeakPolarHBondContact O-CG 3.47Å; T423-Q427 PolarHBondContact O-NE2 3.07Å; E424-Q427 WeakPolarHBondContact O-CB 3.41Å; E424-Q427 PolarHBondContact O-N 3.13Å; E424-Q427 VanDerWaalsContact O-N 3.15Å; L425-Q427 PolarHBondContact O-N 3.44Å; L425-Q427 VanDerWaalsContact O-N 3.1Å
428H97.6Very high97.4Very high75 Ų7535.2 Ų35.235%0.34719%0.187SC..Hα-helixtrans-114.8-19.8-172.7-65.5-63.3000113.8Y398 K402 E424 L425 E426Y398-H428 WeakPolarHBondContact CB-CD2 3.29Å; Y398-H428 AromaticContact CG-CD2 3.83Å; K402-H428 WeakPolarHBondContact CA-O 3.39Å; K402-H428 WeakPolarHBondContact CB-O 3.45Å; E424-H428 PolarHBondContact O-CD2 3.26Å; L425-H428 PolarHBondContact O-N 2.95Å; E426-H428 VanDerWaalsContact C-N 3.35Å
429V97.6Very high97.1Very high13 Ų1335.3 Ų35.38%0.07919%0.188CC..SBendtrans-102.3156179.6-55.70000112.9I401 V407 L425 C433I401-V429 HydrophobicContact CD1-CG1 3.73Å; I401-V429 HydrophobicContact CG1-CG1 4.22Å; V407-V429 HydrophobicContact CG2-CG1 3.91Å; L425-V429 WeakPolarHBondContact O-CG2 3.42Å; L425-V429 PolarHBondContact O-N 3.32Å; V429-C433 HydrophobicContact CB-CB 3.68Å; V429-C433 HydrophobicContact CG2-CB 3.53Å
430G95.8Very high96.2Very high33 Ų3335.1 Ų35.134%0.3419%0.191SC..  trans-62.9158.7174.800000113.4D432 C433G430-D432 PolarHBondContact O-N 3.42Å; G430-C433 WeakPolarHBondContact O-CB 3.19Å; G430-C433 PolarHBondContact O-N 2.86Å
431P95.3Very high95.1Very high82 Ų8229.4 Ų29.453%0.53217%0.167SC..THydrogen-bonded Turntrans-66.4-21.9-172.526.7-35.8000115.8R453 N456P431-R453 VanDerWaalsContact CB-NH1 3.35Å; P431-N456 PolarHBondContact O-ND2 2.81Å
432D94.2Very high94.5Very high82 Ų8230.1 Ų30.144%0.43917%0.171SC..THydrogen-bonded Turntrans-92.22.8176-54.2-33.9000112.6K322 G430 V434 R487K322-D432 IonicContact NZ-OD2 2.94Å; K322-D432 PolarHBondContact NZ-OD2 2.68Å; G430-D432 PolarHBondContact O-N 3.42Å; D432-V434 PolarHBondContact O-N 3.33Å; D432-R487 PolarHBondContact O-NH1 2.84Å
433C98.2Very high94.3Very high7 Ų731.2 Ų31.25%0.04718%0.178CC..  trans-66.4129.9-178.7-172.70000110.1A404 V429 G430A404-C433 PolarHBondContact O-SG 3.39Å; V429-C433 HydrophobicContact CB-CB 3.68Å; V429-C433 HydrophobicContact CG2-CB 3.53Å; G430-C433 WeakPolarHBondContact O-CB 3.19Å; G430-C433 PolarHBondContact O-N 2.86Å
434V98.7Very high94.2Very high1 Ų128.5 Ų28.51%0.00616%0.161CC..EExtended strand (participates in β ladder)trans-81.1131.7174.6172.50000109N405 I406 V407 D432 N456 V458 A484 R487N405-V434 PolarHBondContact O-N 3.19Å; N405-V434 VanDerWaalsContact O-N 3.07Å; I406-V434 CarbonylContact C-O 3.6Å; I406-V434 VanDerWaalsContact CA-O 3.24Å; I406-V434 WeakPolarHBondContact CA-O 3.24Å; I406-V434 HydrophobicContact CB-CB 4.16Å; I406-V434 HydrophobicContact CD1-CB 4.15Å; I406-V434 HydrophobicContact CD1-CG1 3.79Å; I406-V434 HydrophobicContact CG1-CB 3.92Å; I406-V434 HydrophobicContact CG1-CG1 3.93Å; V407-V434 PolarHBondContact N-O 3.4Å; D432-V434 PolarHBondContact O-N 3.33Å; V434-N456 WeakPolarHBondContact CA-O 3.45Å; V434-V458 HydrophobicContact CG1-CG2 3.91Å; V434-A484 HydrophobicContact CG1-CB 4.29Å; V434-A484 HydrophobicContact CG2-CB 3.89Å; V434-R487 HydrophobicContact CG2-CB 4.33Å
435I98.7Very high94.2Very high3 Ų327.8 Ų27.82%0.01516%0.162CC..EExtended strand (participates in β ladder)trans-105.3113.2173.2-62.8174000107.8I422 L425 E426 N456 V457 V458I422-I435 HydrophobicContact CD1-CG2 4.1Å; I422-I435 HydrophobicContact CG1-CG2 3.96Å; I422-I435 HydrophobicContact CG2-CD1 4.29Å; L425-I435 HydrophobicContact CB-CD1 4.21Å; L425-I435 HydrophobicContact CD1-CG2 4.14Å; E426-I435 HydrophobicContact CG-CD1 3.7Å; I435-N456 PolarHBondContact N-O 3.23Å; I435-V457 HydrophobicContact CB-CG2 4.4Å; I435-V457 VanDerWaalsContact O-CA 3.27Å; I435-V457 WeakPolarHBondContact O-CA 3.44Å; I435-V458 PolarHBondContact O-N 3.38Å
436A98.7Very high94.2Very high0 Ų032.5 Ų32.50%018%0.183CC..EExtended strand (participates in β ladder)trans-107.1118.4179.600000110.2I406 V407 I408 E409 V458 L460I406-A436 HydrophobicContact CD1-CB 4.29Å; I406-A436 HydrophobicContact CG1-CB 4.4Å; V407-A436 PolarHBondContact O-N 2.89Å; I408-A436 CarbonylContact C-O 3.46Å; I408-A436 VanDerWaalsContact CA-O 3.22Å; I408-A436 WeakPolarHBondContact CA-O 3.46Å; I408-A436 HydrophobicContact CG1-CB 4.27Å; E409-A436 PolarHBondContact N-O 3.31Å; A436-V458 CarbonylContact C-O 3.55Å; A436-V458 VanDerWaalsContact CA-O 3.29Å; A436-V458 WeakPolarHBondContact CA-O 3.4Å; A436-V458 HydrophobicContact CB-CG2 4Å; A436-L460 HydrophobicContact CB-CB 4.26Å; A436-L460 HydrophobicContact CB-CD1 3.53Å; A436-L460 HydrophobicContact CB-CG 3.63Å
437T98.5Very high94.1Very high0 Ų031.7 Ų31.70%018%0.179CC..EExtended strand (participates in β ladder)trans-93128.9174.4178.30000111.1E409 T439 V444 I447 V458 G459 L460E409-T437 WeakPolarHBondContact OE2-CB 3.32Å; E409-T437 PolarHBondContact OE2-OG1 3.04Å; T437-T439 HydrophobicContact CG2-CG2 3.88Å; T437-T439 PolarHBondContact O-N 2.65Å; T437-V444 HydrophobicContact CG2-CB 4.48Å; T437-V444 HydrophobicContact CG2-CG1 3.95Å; T437-V444 HydrophobicContact CG2-CG2 4.11Å; T437-I447 HydrophobicContact CG2-CD1 3.94Å; T437-I447 HydrophobicContact CG2-CG2 4.07Å; T437-V458 PolarHBondContact N-O 2.59Å; T437-G459 CarbonylContact O-C 3.51Å; T437-G459 WeakPolarHBondContact O-CA 3.29Å; T437-L460 PolarHBondContact O-N 3.13Å
438N96.4Very high94.2Very high12 Ų1225.6 Ų25.66%0.06415%0.151CC..  trans-90.282.2168.6179.888.2000108.7I339 I408 E409 A410 K418 L460 Y462I339-N438 HydrophobicContact CD1-CB 4.43Å; I408-N438 HydrophobicContact CG2-CB 4.33Å; E409-N438 WeakPolarHBondContact O-CB 3.33Å; E409-N438 PolarHBondContact O-N 3.36Å; A410-N438 HydrophobicContact CB-CB 4.2Å; K418-N438 PolarHBondContact NZ-O 3.27Å; N438-L460 VanDerWaalsContact CA-O 3.29Å; N438-L460 WeakPolarHBondContact CA-O 2.98Å; N438-L460 WeakPolarHBondContact CB-O 3.38Å; N438-L460 PolarHBondContact OD1-O 3.44Å; N438-Y462 WeakPolarHBondContact OD1-CB 3.34Å; N438-Y462 WeakPolarHBondContact OD1-CD2 3.35Å; N438-Y462 PolarHBondContact OD1-N 3.22Å; N438-Y462 VanDerWaalsContact OD1-N 3.08Å
439T90.9Very high94.2Very high1 Ų127.6 Ų27.61%0.00616%0.161CC..  trans-111.3147.4174.5170.70000108.8E413 T437 I442 V444 I447 F508E413-T439 PolarHBondContact OE1-OG1 3.41Å; E413-T439 VanDerWaalsContact OE1-OG1 3.08Å; T437-T439 HydrophobicContact CG2-CG2 3.88Å; T437-T439 PolarHBondContact O-N 2.65Å; T439-I442 WeakPolarHBondContact CG2-O 3.46Å; T439-I442 WeakPolarHBondContact OG1-CB 3.4Å; T439-I442 PolarHBondContact OG1-N 3.28Å; T439-I442 PolarHBondContact OG1-O 3.24Å; T439-I442 VanDerWaalsContact OG1-O 3.08Å; T439-V444 HydrophobicContact CG2-CG2 3.86Å; T439-I447 HydrophobicContact CG2-CD1 3.93Å; T439-F508 HydrophobicContact CG2-CE2 4.46Å; T439-F508 HydrophobicContact CG2-CZ 4.07Å
440S79.4Confident94.2Very high39 Ų3928.2 Ų28.227%0.27317%0.167SC..SBendtrans-105.1-18.6178.8-73.40000113.1E413 H461 T511E413-S440 PolarHBondContact OE1-N 3.33Å; E413-S440 VanDerWaalsContact OE1-N 3.13Å; S440-H461 PolarHBondContact OG-NE2 3.49Å; S440-T511 PolarHBondContact O-OG1 3.22Å
441A75.6Confident94.4Very high2 Ų227.3 Ų27.32%0.01716%0.155CC..SBendtrans-143.5-31.3-178.800000114.9E413 S443 I562 Y565E413-A441 PolarHBondContact OE1-N 2.93Å; A441-S443 PolarHBondContact O-N 3.33Å; A441-I562 HydrophobicContact CB-CG1 4.12Å; A441-Y565 HydrophobicContact CB-CD1 4.24Å; A441-Y565 VanDerWaalsContact O-CE1 3.27Å; A441-Y565 WeakPolarHBondContact O-CE1 3.43Å
442I84.8Confident94.5Very high24 Ų2431.8 Ų31.812%0.12317%0.167CC..SBendtrans-66.5130.3-179.6-55.5172.1000109E413 L415 K418 T439 V444 I447E413-I442 HydrophobicContact CG-CD1 3.89Å; E413-I442 HydrophobicContact CG-CG1 4.22Å; L415-I442 HydrophobicContact CB-CD1 4.39Å; L415-I442 HydrophobicContact CB-CG2 4.39Å; L415-I442 HydrophobicContact CD1-CG2 3.84Å; K418-I442 HydrophobicContact CD-CD1 4.35Å; T439-I442 WeakPolarHBondContact CG2-O 3.46Å; T439-I442 WeakPolarHBondContact OG1-CB 3.4Å; T439-I442 PolarHBondContact OG1-N 3.28Å; T439-I442 PolarHBondContact OG1-O 3.24Å; T439-I442 VanDerWaalsContact OG1-O 3.08Å; I442-V444 PolarHBondContact O-N 2.96Å; I442-I447 HydrophobicContact CB-CD1 4Å; I442-I447 HydrophobicContact CG2-CD1 3.74Å; I442-I447 HydrophobicContact CG2-CG1 3.75Å
443S92.5Very high94.7Very high22 Ų2230.6 Ų30.615%0.15416%0.156CC..  trans-53128.3174.8160.80000111A441 S445 K446 I447 D504A441-S443 PolarHBondContact O-N 3.33Å; S443-S445 VanDerWaalsContact C-N 3.28Å; S443-S445 PolarHBondContact O-N 3.03Å; S443-S445 PolarHBondContact OG-N 3.18Å; S443-K446 WeakPolarHBondContact O-CB 3.39Å; S443-K446 PolarHBondContact O-N 3.31Å; S443-K446 PolarHBondContact OG-N 2.84Å; S443-I447 PolarHBondContact O-N 3.16Å; S443-I447 VanDerWaalsContact O-N 3.09Å; S443-D504 WeakPolarHBondContact CA-OD1 3.34Å; S443-D504 PolarHBondContact OG-OD2 3.34Å
444V97Very high94.7Very high0 Ų031.3 Ų31.30%016%0.16CC..Hα-helixtrans-66.6-34.7177.5-179.70000110.4T437 T439 I442 K446 I447 A448 V457 I475 T477 D504 F508T437-V444 HydrophobicContact CG2-CB 4.48Å; T437-V444 HydrophobicContact CG2-CG1 3.95Å; T437-V444 HydrophobicContact CG2-CG2 4.11Å; T439-V444 HydrophobicContact CG2-CG2 3.86Å; I442-V444 PolarHBondContact O-N 2.96Å; V444-K446 VanDerWaalsContact C-N 3.33Å; V444-K446 PolarHBondContact O-N 3.46Å; V444-I447 PolarHBondContact O-N 3.25Å; V444-A448 VanDerWaalsContact O-CB 3.28Å; V444-A448 WeakPolarHBondContact O-CB 3.31Å; V444-A448 PolarHBondContact O-N 3.46Å; V444-V457 HydrophobicContact CG1-CG1 4.22Å; V444-I475 HydrophobicContact CB-CG2 4.28Å; V444-I475 HydrophobicContact CG2-CB 3.91Å; V444-I475 HydrophobicContact CG2-CG1 4.38Å; V444-I475 HydrophobicContact CG2-CG2 3.74Å; V444-T477 HydrophobicContact CB-CG2 3.8Å; V444-T477 HydrophobicContact CG1-CG2 3.43Å; V444-T477 VanDerWaalsContact CG1-CG2 3.43Å; V444-D504 PolarHBondContact N-OD1 3.14Å; V444-D504 PolarHBondContact N-OD2 3.1Å; V444-F508 HydrophobicContact CG2-CE1 4.1Å; V444-F508 HydrophobicContact CG2-CZ 3.97Å
445S97.7Very high94.7Very high37 Ų3735.1 Ų35.126%0.25918%0.178SC..Hα-helixtrans-61.2-42173.6-54.90000111.2S443 A448 E449 P478 D504S443-S445 VanDerWaalsContact C-N 3.28Å; S443-S445 PolarHBondContact O-N 3.03Å; S443-S445 PolarHBondContact OG-N 3.18Å; S445-A448 PolarHBondContact O-N 2.87Å; S445-E449 PolarHBondContact O-N 3.37Å; S445-E449 VanDerWaalsContact O-N 3.16Å; S445-P478 WeakPolarHBondContact OG-CD 3.43Å; S445-D504 WeakPolarHBondContact CA-OD2 2.93Å; S445-D504 WeakPolarHBondContact CB-OD2 3.26Å; S445-D504 PolarHBondContact N-OD2 3.18Å; S445-D504 PolarHBondContact OG-OD2 3.01Å
446K95.8Very high94.7Very high99 Ų9936 Ų3643%0.4318%0.183SC..Hα-helixtrans-64-41.4176.1-76.4-75.7164.9-155.20112L415 Q419 S443 V444 A448 E449L415-K446 HydrophobicContact CD1-CB 4.2Å; Q419-K446 PolarHBondContact NE2-O 3.01Å; S443-K446 WeakPolarHBondContact O-CB 3.39Å; S443-K446 PolarHBondContact O-N 3.31Å; S443-K446 PolarHBondContact OG-N 2.84Å; V444-K446 VanDerWaalsContact C-N 3.33Å; V444-K446 PolarHBondContact O-N 3.46Å; K446-A448 VanDerWaalsContact C-N 3.32Å; K446-E449 WeakPolarHBondContact CD-OE1 3.39Å; K446-E449 WeakPolarHBondContact CE-OE1 3.49Å; K446-E449 IonicContact NZ-OE1 3.21Å; K446-E449 PolarHBondContact NZ-OE1 3.39Å; K446-E449 IonicContact NZ-OE2 2.86Å; K446-E449 WeakPolarHBondContact O-CB 3.37Å; K446-E449 PolarHBondContact O-N 2.84Å
447I96.7Very high94.7Very high0 Ų036 Ų360%018%0.183CC..Hα-helixtrans-62.9-42.1174.1-71165000110.5L415 K418 I422 T437 T439 I442 S443 V444 E449 A450L415-I447 HydrophobicContact CD1-CG1 3.77Å; K418-I447 HydrophobicContact CB-CG1 4.37Å; K418-I447 HydrophobicContact CB-CG2 4.39Å; K418-I447 HydrophobicContact CD-CD1 3.84Å; K418-I447 HydrophobicContact CD-CG1 4.44Å; I422-I447 HydrophobicContact CD1-CG2 3.22Å; I422-I447 HydrophobicContact CG1-CG2 4.36Å; T437-I447 HydrophobicContact CG2-CD1 3.94Å; T437-I447 HydrophobicContact CG2-CG2 4.07Å; T439-I447 HydrophobicContact CG2-CD1 3.93Å; I442-I447 HydrophobicContact CB-CD1 4Å; I442-I447 HydrophobicContact CG2-CD1 3.74Å; I442-I447 HydrophobicContact CG2-CG1 3.75Å; S443-I447 PolarHBondContact O-N 3.16Å; S443-I447 VanDerWaalsContact O-N 3.09Å; V444-I447 PolarHBondContact O-N 3.25Å; I447-E449 PolarHBondContact O-N 3.36Å; I447-A450 PolarHBondContact O-N 2.75Å
448A98.2Very high94.7Very high5 Ų536 Ų364%0.04118%0.183CC..Hα-helixtrans-68-15.3-179.500000114.4V444 S445 K446 A450 S451 P454 V457V444-A448 VanDerWaalsContact O-CB 3.28Å; V444-A448 WeakPolarHBondContact O-CB 3.31Å; V444-A448 PolarHBondContact O-N 3.46Å; S445-A448 PolarHBondContact O-N 2.87Å; K446-A448 VanDerWaalsContact C-N 3.32Å; A448-A450 PolarHBondContact O-N 3.27Å; A448-A450 VanDerWaalsContact O-N 3.17Å; A448-S451 VanDerWaalsContact O-CB 3.26Å; A448-S451 WeakPolarHBondContact O-CB 3.46Å; A448-S451 PolarHBondContact O-N 2.89Å; A448-P454 HydrophobicContact CB-CB 4.33Å; A448-V457 HydrophobicContact CB-CB 3.86Å; A448-V457 HydrophobicContact CB-CG1 3.76Å; A448-V457 HydrophobicContact CB-CG2 4.14Å
449E98.3Very high94.8Very high118 Ų11835.5 Ų35.555%0.55118%0.18SC*.THydrogen-bonded Turntrans-58.4-26.1176.4-74.1172.9-177.900112.9S445 K446 I447 S451S445-E449 PolarHBondContact O-N 3.37Å; S445-E449 VanDerWaalsContact O-N 3.16Å; K446-E449 WeakPolarHBondContact CD-OE1 3.39Å; K446-E449 WeakPolarHBondContact CE-OE1 3.49Å; K446-E449 IonicContact NZ-OE1 3.21Å; K446-E449 PolarHBondContact NZ-OE1 3.39Å; K446-E449 IonicContact NZ-OE2 2.86Å; K446-E449 WeakPolarHBondContact O-CB 3.37Å; K446-E449 PolarHBondContact O-N 2.84Å; I447-E449 PolarHBondContact O-N 3.36Å; E449-S451 VanDerWaalsContact C-N 3.34Å
450A97.9Very high95.2Very high26 Ų2635.4 Ų35.422%0.21518%0.18CC..THydrogen-bonded Turntrans-85-5.3176.800000114.3Q419 T423 I447 A448Q419-A450 HydrophobicContact CB-CB 3.52Å; Q419-A450 HydrophobicContact CG-CB 3.69Å; Q419-A450 WeakPolarHBondContact O-CB 3.45Å; T423-A450 PolarHBondContact OG1-O 2.92Å; I447-A450 PolarHBondContact O-N 2.75Å; A448-A450 PolarHBondContact O-N 3.27Å; A448-A450 VanDerWaalsContact O-N 3.17Å
451S98.5Very high96Very high13 Ų1334 Ų349%0.09117%0.169CC..  trans-85.9136.2178.2-174.40000110.9E426 A448 E449 R453E426-S451 PolarHBondContact OE1-OG 3.21Å; A448-S451 VanDerWaalsContact O-CB 3.26Å; A448-S451 WeakPolarHBondContact O-CB 3.46Å; A448-S451 PolarHBondContact O-N 2.89Å; E449-S451 VanDerWaalsContact C-N 3.34Å; S451-R453 PolarHBondContact O-N 3.2Å; S451-R453 PolarHBondContact OG-N 3.35Å; S451-R453 PolarHBondContact OG-O 3.46Å
452K98.1Very high97.1Very high177 Ų17734.1 Ų34.177%0.7717%0.169SC*.SBendtrans-72.1-18.4166.6-64.9179.5-179.1177.30112E426 P454E426-K452 PolarHBondContact OE1-N 2.86Å; E426-K452 WeakPolarHBondContact OE2-CB 3.49Å; E426-K452 PolarHBondContact OE2-N 3.23Å; K452-P454 VanDerWaalsContact C-CD 3.49Å
453R98Very high97.6Very high57 Ų5734.1 Ų34.122%0.21517%0.168CC..  trans-129.164.1-178.4-65.9165.4-77.4-148.76.8110.2E426 P431 S451 E455 N456E426-R453 PolarHBondContact O-NH2 3.11Å; E426-R453 VanDerWaalsContact O-NH2 3.08Å; E426-R453 IonicContact OE1-CZ 3.3Å; E426-R453 PolarHBondContact OE1-N 3.02Å; E426-R453 IonicContact OE1-NE 2.77Å; E426-R453 PolarHBondContact OE1-NE 3.43Å; E426-R453 IonicContact OE1-NH2 3.01Å; E426-R453 PolarHBondContact OE1-NH2 2.89Å; P431-R453 VanDerWaalsContact CB-NH1 3.35Å; S451-R453 PolarHBondContact O-N 3.2Å; S451-R453 PolarHBondContact OG-N 3.35Å; S451-R453 PolarHBondContact OG-O 3.46Å; R453-E455 VanDerWaalsContact C-OE2 3.23Å; R453-E455 WeakPolarHBondContact CA-OE2 3.25Å; R453-E455 PolarHBondContact O-N 3.44Å; R453-E455 VanDerWaalsContact O-N 3.11Å; R453-N456 HydrophobicContact CB-CB 4.39Å; R453-N456 PolarHBondContact O-N 3.27Å
454P98.5Very high97.4Very high21 Ų2136 Ų3614%0.13618%0.182CC..G310 helixtrans-59.3-22.6-177.326.4-36.3000113.3A448 K452 N456 V457 K479A448-P454 HydrophobicContact CB-CB 4.33Å; K452-P454 VanDerWaalsContact C-CD 3.49Å; P454-N456 PolarHBondContact O-N 3.15Å; P454-V457 WeakPolarHBondContact O-CB 3.47Å; P454-V457 PolarHBondContact O-N 3.32Å; P454-K479 HydrophobicContact CB-CB 4.27Å; P454-K479 HydrophobicContact CB-CD 3.74Å; P454-K479 HydrophobicContact CG-CD 3.65Å
455E98.5Very high97.2Very high81 Ų8138.2 Ų38.238%0.37920%0.196SC..G310 helixtrans-66.1-16.817370.6-80.1-173.500114.6R453 K479 S481 A484R453-E455 VanDerWaalsContact C-OE2 3.23Å; R453-E455 WeakPolarHBondContact CA-OE2 3.25Å; R453-E455 PolarHBondContact O-N 3.44Å; R453-E455 VanDerWaalsContact O-N 3.11Å; E455-K479 WeakPolarHBondContact CA-O 3.41Å; E455-K479 VanDerWaalsContact CB-O 3.29Å; E455-K479 WeakPolarHBondContact CB-O 3.45Å; E455-S481 WeakPolarHBondContact O-CB 3.19Å; E455-S481 PolarHBondContact O-N 2.84Å; E455-S481 PolarHBondContact O-OG 3.08Å; E455-A484 WeakPolarHBondContact O-CB 3.41Å
456N98.6Very high97.2Very high22 Ų2236.6 Ų36.612%0.11819%0.185CC..G310 helixtrans-95.83.1172.7-69.2-16.5000112.7P431 V434 I435 R453 P454P431-N456 PolarHBondContact O-ND2 2.81Å; V434-N456 WeakPolarHBondContact CA-O 3.45Å; I435-N456 PolarHBondContact N-O 3.23Å; R453-N456 HydrophobicContact CB-CB 4.39Å; R453-N456 PolarHBondContact O-N 3.27Å; P454-N456 PolarHBondContact O-N 3.15Å
457V98.8Very high97.1Very high0 Ų035.2 Ų35.20%018%0.182CC..EExtended strand (participates in β ladder)trans-98.8133.3-179.1-173.70000110.8I435 V444 A448 P454 S480I435-V457 HydrophobicContact CB-CG2 4.4Å; I435-V457 VanDerWaalsContact O-CA 3.27Å; I435-V457 WeakPolarHBondContact O-CA 3.44Å; V444-V457 HydrophobicContact CG1-CG1 4.22Å; A448-V457 HydrophobicContact CB-CB 3.86Å; A448-V457 HydrophobicContact CB-CG1 3.76Å; A448-V457 HydrophobicContact CB-CG2 4.14Å; P454-V457 WeakPolarHBondContact O-CB 3.47Å; P454-V457 PolarHBondContact O-N 3.32Å; V457-S480 PolarHBondContact O-OG 3.01Å
458V98.7Very high96.9Very high0 Ų044 Ų440%022%0.215CC..EExtended strand (participates in β ladder)trans-139.6166.4173.4-650000109.8V434 I435 A436 T437 A484 I485 A488V434-V458 HydrophobicContact CG1-CG2 3.91Å; I435-V458 PolarHBondContact O-N 3.38Å; A436-V458 CarbonylContact C-O 3.55Å; A436-V458 VanDerWaalsContact CA-O 3.29Å; A436-V458 WeakPolarHBondContact CA-O 3.4Å; A436-V458 HydrophobicContact CB-CG2 4Å; T437-V458 PolarHBondContact N-O 2.59Å; V458-A484 HydrophobicContact CG1-CB 4.06Å; V458-I485 HydrophobicContact CG1-CG1 4.27Å; V458-A488 HydrophobicContact CG2-CB 3.85Å
459G98.5Very high96.8Very high1 Ų146.2 Ų46.21%0.0123%0.225CC..EExtended strand (participates in β ladder)trans-98.7144.8166.200000111.2T437 V474 I475T437-G459 CarbonylContact O-C 3.51Å; T437-G459 WeakPolarHBondContact O-CA 3.29Å; G459-V474 WeakPolarHBondContact O-CA 3.47Å; G459-I475 PolarHBondContact N-O 2.9Å; G459-I475 PolarHBondContact O-N 3.29Å
460L98.4Very high96.8Very high0 Ų045.6 Ų45.60%022%0.222CC..EExtended strand (participates in β ladder)trans-12695.1168.8-74.1-173.4000108.7I408 A436 T437 N438 Y462 L472 V474 A488I408-L460 HydrophobicContact CD1-CD1 3.96Å; I408-L460 HydrophobicContact CG1-CD1 4.04Å; A436-L460 HydrophobicContact CB-CB 4.26Å; A436-L460 HydrophobicContact CB-CD1 3.53Å; A436-L460 HydrophobicContact CB-CG 3.63Å; T437-L460 PolarHBondContact O-N 3.13Å; N438-L460 VanDerWaalsContact CA-O 3.29Å; N438-L460 WeakPolarHBondContact CA-O 2.98Å; N438-L460 WeakPolarHBondContact CB-O 3.38Å; N438-L460 PolarHBondContact OD1-O 3.44Å; L460-Y462 HydrophobicContact CB-CD2 4.15Å; L460-Y462 HydrophobicContact CB-CE2 3.73Å; L460-Y462 HydrophobicContact CD1-CE2 4.03Å; L460-Y462 HydrophobicContact CG-CE2 4.48Å; L460-Y462 PolarHBondContact O-N 3.47Å; L460-L472 HydrophobicContact CB-CD1 4.26Å; L460-L472 HydrophobicContact CD2-CD1 4.29Å; L460-L472 HydrophobicContact CD2-CD2 4.04Å; L460-L472 HydrophobicContact CD2-CG 4.37Å; L460-V474 HydrophobicContact CD2-CB 4.37Å; L460-V474 HydrophobicContact CD2-CG1 4.35Å; L460-V474 HydrophobicContact CD2-CG2 3.68Å; L460-A488 HydrophobicContact CD2-CB 3.99Å
461H97.6Very high96.8Very high10 Ų1044.3 Ų44.35%0.04621%0.212CC..EExtended strand (participates in β ladder)trans-8694.7-179.7179-148.5000109.9S440 F463 E473 T510 T511S440-H461 PolarHBondContact OG-NE2 3.49Å; H461-F463 AromaticContact CE1-CZ 3.75Å; H461-F463 AromaticContact ND1-CZ 3.79Å; H461-F463 WeakPolarHBondContact O-CE2 3.31Å; H461-E473 HydrophobicContact CB-CB 4.13Å; H461-E473 IonicContact CE1-OE2 3.59Å; H461-E473 IonicContact CG-OE2 3.57Å; H461-E473 PolarHBondContact N-O 3.23Å; H461-E473 IonicContact ND1-OE2 3.16Å; H461-E473 PolarHBondContact ND1-OE2 2.79Å; H461-E473 PolarHBondContact O-N 3.4Å; H461-T510 PolarHBondContact CE1-OG1 2.93Å; H461-T510 PolarHBondContact ND1-OG1 3.5Å; H461-T511 PolarHBondContact CE1-OG1 3.43Å
462Y97.9Very high96.8Very high4 Ų443.7 Ų43.72%0.01621%0.208CC..EExtended strand (participates in β ladder)trans-83.6144.2173.9-71.9-92000111.5M335 I339 I408 N438 L460 V466 L472 Q495M335-Y462 WeakPolarHBondContact CE-O 3.24Å; I339-Y462 HydrophobicContact CD1-CD2 3.59Å; I339-Y462 HydrophobicContact CD1-CE2 3.95Å; I339-Y462 HydrophobicContact CD1-CG 4.06Å; I339-Y462 HydrophobicContact CG1-CD1 4.17Å; I339-Y462 HydrophobicContact CG1-CD2 3.81Å; I339-Y462 HydrophobicContact CG1-CE1 4.36Å; I339-Y462 HydrophobicContact CG1-CE2 4Å; I339-Y462 HydrophobicContact CG1-CG 3.89Å; I339-Y462 HydrophobicContact CG2-CE2 4.36Å; I408-Y462 HydrophobicContact CD1-CE2 4.17Å; I408-Y462 HydrophobicContact CG2-CE2 4.45Å; N438-Y462 WeakPolarHBondContact OD1-CB 3.34Å; N438-Y462 WeakPolarHBondContact OD1-CD2 3.35Å; N438-Y462 PolarHBondContact OD1-N 3.22Å; N438-Y462 VanDerWaalsContact OD1-N 3.08Å; L460-Y462 HydrophobicContact CB-CD2 4.15Å; L460-Y462 HydrophobicContact CB-CE2 3.73Å; L460-Y462 HydrophobicContact CD1-CE2 4.03Å; L460-Y462 HydrophobicContact CG-CE2 4.48Å; L460-Y462 PolarHBondContact O-N 3.47Å; Y462-V466 HydrophobicContact CD1-CG1 3.8Å; Y462-V466 HydrophobicContact CE1-CG1 4.43Å; Y462-V466 HydrophobicContact CG-CG1 4.46Å; Y462-L472 HydrophobicContact CD1-CD1 3.78Å; Y462-L472 HydrophobicContact CD2-CD1 3.8Å; Y462-L472 HydrophobicContact CE1-CD1 3.79Å; Y462-L472 HydrophobicContact CE1-CD2 4.24Å; Y462-L472 HydrophobicContact CE2-CD1 3.81Å; Y462-L472 HydrophobicContact CG-CD1 3.79Å; Y462-Q495 VanDerWaalsContact CE1-OE1 3.32Å; Y462-Q495 PolarHBondContact OH-NE2 3.04Å; Y462-Q495 PolarHBondContact OH-OE1 3.47Å
463F94.8Very high96.8Very high23 Ų2335.3 Ų35.310%0.10117%0.171CC..PPolyproline II helixtrans-98141.6177.2-64.4-100.7000110.8H461 P465 V466 M469 L471 E473 T510 L670H461-F463 AromaticContact CE1-CZ 3.75Å; H461-F463 AromaticContact ND1-CZ 3.79Å; H461-F463 WeakPolarHBondContact O-CE2 3.31Å; F463-P465 CarbonylContact O-C 2.9Å; F463-V466 VanDerWaalsContact O-CA 3.27Å; F463-V466 WeakPolarHBondContact O-CA 3.32Å; F463-V466 PolarHBondContact O-N 3.18Å; F463-M469 HydrophobicContact CB-CB 3.53Å; F463-M469 HydrophobicContact CB-CE 4.18Å; F463-M469 HydrophobicContact CB-CG 3.73Å; F463-L471 HydrophobicContact CD2-CB 4.12Å; F463-L471 HydrophobicContact CD2-CD2 4.43Å; F463-L471 HydrophobicContact CD2-CG 4.49Å; F463-L471 WeakPolarHBondContact CD2-O 3.46Å; F463-L471 HydrophobicContact CE2-CB 4.12Å; F463-L471 HydrophobicContact CE2-CD2 3.66Å; F463-L471 HydrophobicContact CE2-CG 4Å; F463-L471 HydrophobicContact CZ-CD2 3.78Å; F463-E473 HydrophobicContact CE2-CB 4.29Å; F463-T510 HydrophobicContact CE1-CG2 4.46Å; F463-T510 HydrophobicContact CZ-CG2 3.81Å; F463-T510 VanDerWaalsContact CZ-OG1 3.32Å; F463-T510 WeakPolarHBondContact CZ-OG1 3.39Å; F463-L670 HydrophobicContact CE1-CD2 4.17Å
464S90.2Very high96.9Very high63 Ų6332.6 Ų32.644%0.44116%0.161SC..SBendtrans-93.1139.9178.6-172.90000111.6M469S464-M469 WeakPolarHBondContact O-CG 3.48Å
465P92.5Very high96.9Very high45 Ų4531.6 Ų31.629%0.29215%0.154SC..SBendcis-72.5133.2-7.2-17.432.7000111.9F463 D467 R468 M469F463-P465 CarbonylContact O-C 2.9Å; P465-D467 PolarHBondContact O-N 3.09Å; P465-D467 VanDerWaalsContact O-N 3.15Å; P465-R468 HydrophobicContact CB-CB 4.45Å; P465-R468 PolarHBondContact O-N 3.48Å; P465-M469 WeakPolarHBondContact O-CG 3.34Å; P465-M469 PolarHBondContact O-N 3.17Å
466V96.9Very high96.8Very high4 Ų429 Ų292%0.02414%0.144CC..THydrogen-bonded Turntrans-59.7-32.7-172-175.30000112.4M335 I339 V342 Y462 F463 R468 K497M335-V466 HydrophobicContact CE-CG2 3.71Å; M335-V466 HydrophobicContact SD-CG2 4.16Å; I339-V466 HydrophobicContact CG1-CG1 4.18Å; I339-V466 HydrophobicContact CG1-CG2 4.39Å; V342-V466 HydrophobicContact CG1-CG1 4.07Å; V342-V466 HydrophobicContact CG2-CG1 3.84Å; Y462-V466 HydrophobicContact CD1-CG1 3.8Å; Y462-V466 HydrophobicContact CE1-CG1 4.43Å; Y462-V466 HydrophobicContact CG-CG1 4.46Å; F463-V466 VanDerWaalsContact O-CA 3.27Å; F463-V466 WeakPolarHBondContact O-CA 3.32Å; F463-V466 PolarHBondContact O-N 3.18Å; V466-R468 VanDerWaalsContact C-N 3.31Å; V466-R468 PolarHBondContact O-N 3.48Å; V466-K497 PolarHBondContact O-NZ 2.64Å
467D94.1Very high96.8Very high70 Ų7028.3 Ų28.337%0.37414%0.14SC..THydrogen-bonded Turntrans-76.8-16.6179.470.3-40.6000114.2V342 P465V342-D467 HydrophobicContact CG1-CB 4.08Å; P465-D467 PolarHBondContact O-N 3.09Å; P465-D467 VanDerWaalsContact O-N 3.15Å
468R92.7Very high96.8Very high183 Ų18334.1 Ų34.169%0.69118%0.178SC*.THydrogen-bonded Turntrans-108.1-35.3-175.4-71.2-168.9-82.3178-4.1113.5P465 V466P465-R468 HydrophobicContact CB-CB 4.45Å; P465-R468 PolarHBondContact O-N 3.48Å; V466-R468 VanDerWaalsContact C-N 3.31Å; V466-R468 PolarHBondContact O-N 3.48Å
469M95.9Very high96.7Very high52 Ų5240.9 Ų40.926%0.25621%0.208SC..  trans-74.2134.2-179.9-63-57.5-68.100110.8F463 S464 P465 K497 G669F463-M469 HydrophobicContact CB-CB 3.53Å; F463-M469 HydrophobicContact CB-CE 4.18Å; F463-M469 HydrophobicContact CB-CG 3.73Å; S464-M469 WeakPolarHBondContact O-CG 3.48Å; P465-M469 WeakPolarHBondContact O-CG 3.34Å; P465-M469 PolarHBondContact O-N 3.17Å; M469-K497 PolarHBondContact O-NZ 2.97Å; M469-G669 WeakPolarHBondContact CE-O 3.37Å
470Q97.5Very high96.7Very high105 Ų10541.6 Ų41.649%0.49121%0.212SC..  trans-88.1-28.1-169.2-66.3176.8-103.400113.2K497 L498 F668Q470-K497 CarbonylContact O-C 3.59Å; Q470-K497 WeakPolarHBondContact O-CA 3.47Å; Q470-L498 PolarHBondContact O-N 3.02Å; Q470-F668 HydrophobicContact CB-CB 4.25Å; Q470-F668 HydrophobicContact CB-CD1 4.32Å
471L98.6Very high96.7Very high0 Ų043.1 Ų43.10%022%0.223CC..EExtended strand (participates in β ladder)trans-82.4144.7-176.3-168.271.3000112F463 L498 I500 T510 I664F463-L471 HydrophobicContact CD2-CB 4.12Å; F463-L471 HydrophobicContact CD2-CD2 4.43Å; F463-L471 HydrophobicContact CD2-CG 4.49Å; F463-L471 WeakPolarHBondContact CD2-O 3.46Å; F463-L471 HydrophobicContact CE2-CB 4.12Å; F463-L471 HydrophobicContact CE2-CD2 3.66Å; F463-L471 HydrophobicContact CE2-CG 4Å; F463-L471 HydrophobicContact CZ-CD2 3.78Å; L471-L498 CarbonylContact C-O 3.58Å; L471-L498 WeakPolarHBondContact CA-O 3.2Å; L471-I500 HydrophobicContact CD1-CD1 4.21Å; L471-I500 HydrophobicContact CD1-CG1 4.04Å; L471-I500 HydrophobicContact CD1-CG2 3.91Å; L471-I500 HydrophobicContact CD2-CD1 4.19Å; L471-T510 HydrophobicContact CD2-CG2 3.86Å; L471-I664 HydrophobicContact CD1-CG2 4.14Å
472L98.6Very high96.7Very high0 Ų049.4 Ų49.40%025%0.25CS..EExtended strand (participates in β ladder)trans-126.6127.4156.9174.663.2000107.8L460 Y462 V474 G492 K497 L498 V499 I500L460-L472 HydrophobicContact CB-CD1 4.26Å; L460-L472 HydrophobicContact CD2-CD1 4.29Å; L460-L472 HydrophobicContact CD2-CD2 4.04Å; L460-L472 HydrophobicContact CD2-CG 4.37Å; Y462-L472 HydrophobicContact CD1-CD1 3.78Å; Y462-L472 HydrophobicContact CD2-CD1 3.8Å; Y462-L472 HydrophobicContact CE1-CD1 3.79Å; Y462-L472 HydrophobicContact CE1-CD2 4.24Å; Y462-L472 HydrophobicContact CE2-CD1 3.81Å; Y462-L472 HydrophobicContact CG-CD1 3.79Å; L472-V474 HydrophobicContact CD2-CG2 4.44Å; L472-V474 HydrophobicContact CG-CG2 4.38Å; L472-G492 VanDerWaalsContact CD2-CA 3.48Å; L472-K497 HydrophobicContact CB-CB 3.83Å; L472-K497 HydrophobicContact CB-CG 3.99Å; L472-L498 PolarHBondContact N-O 3.35Å; L472-V499 HydrophobicContact CB-CG2 4.43Å; L472-V499 HydrophobicContact CD2-CG2 4.4Å; L472-V499 WeakPolarHBondContact O-CA 3.44Å; L472-I500 PolarHBondContact O-N 2.83Å; L472-I500 VanDerWaalsContact O-N 3.09Å
473E98.3Very high96.7Very high0 Ų051.4 Ų51.40%026%0.26CS..EExtended strand (participates in β ladder)trans-102.5114.3176179.8-174.9-157.900108.9H461 F463 I475 I500 A502 F508 Y509 T510H461-E473 HydrophobicContact CB-CB 4.13Å; H461-E473 IonicContact CE1-OE2 3.59Å; H461-E473 IonicContact CG-OE2 3.57Å; H461-E473 PolarHBondContact N-O 3.23Å; H461-E473 IonicContact ND1-OE2 3.16Å; H461-E473 PolarHBondContact ND1-OE2 2.79Å; H461-E473 PolarHBondContact O-N 3.4Å; F463-E473 HydrophobicContact CE2-CB 4.29Å; E473-I475 HydrophobicContact CG-CD1 3.69Å; E473-I500 HydrophobicContact CB-CD1 4.28Å; E473-I500 HydrophobicContact CB-CG1 4.02Å; E473-I500 HydrophobicContact CG-CD1 4.1Å; E473-I500 HydrophobicContact CG-CG1 4.05Å; E473-A502 HydrophobicContact CG-CB 4.11Å; E473-A502 WeakPolarHBondContact OE1-CB 3.16Å; E473-F508 VanDerWaalsContact OE1-CB 3.29Å; E473-F508 WeakPolarHBondContact OE1-CB 3.33Å; E473-Y509 WeakPolarHBondContact OE1-CA 3.24Å; E473-Y509 VanDerWaalsContact OE1-CB 3.23Å; E473-Y509 WeakPolarHBondContact OE1-CB 3.18Å; E473-Y509 PolarHBondContact OE1-N 3.46Å; E473-T510 PolarHBondContact OE1-N 2.73Å; E473-T510 PolarHBondContact OE2-OG1 3.16Å
474V98.6Very high96.9Very high0 Ų050.3 Ų50.30%026%0.255CS..EExtended strand (participates in β ladder)trans-92.8120.8179.9177.30000108.9G459 L460 L472 A488 V489 V499 I500 T501 A502G459-V474 WeakPolarHBondContact O-CA 3.47Å; L460-V474 HydrophobicContact CD2-CB 4.37Å; L460-V474 HydrophobicContact CD2-CG1 4.35Å; L460-V474 HydrophobicContact CD2-CG2 3.68Å; L472-V474 HydrophobicContact CD2-CG2 4.44Å; L472-V474 HydrophobicContact CG-CG2 4.38Å; V474-A488 HydrophobicContact CG1-CB 4.26Å; V474-V489 HydrophobicContact CG1-CG2 4.42Å; V474-V489 HydrophobicContact CG2-CG2 4.15Å; V474-V499 HydrophobicContact CB-CG1 4.47Å; V474-V499 HydrophobicContact CG2-CG1 3.5Å; V474-V499 VanDerWaalsContact CG2-CG1 3.5Å; V474-I500 PolarHBondContact N-O 3Å; V474-T501 HydrophobicContact CB-CG2 4.21Å; V474-T501 WeakPolarHBondContact O-CA 3.38Å; V474-A502 PolarHBondContact O-N 3.44Å
475I98.4Very high97.3Very high1 Ų147.9 Ų47.91%0.00524%0.237CC..EExtended strand (participates in β ladder)trans-95.6123.2-176.8-46.1-53.5000110.3V444 G459 E473 A502 D504 F508V444-I475 HydrophobicContact CB-CG2 4.28Å; V444-I475 HydrophobicContact CG2-CB 3.91Å; V444-I475 HydrophobicContact CG2-CG1 4.38Å; V444-I475 HydrophobicContact CG2-CG2 3.74Å; G459-I475 PolarHBondContact N-O 2.9Å; G459-I475 PolarHBondContact O-N 3.29Å; E473-I475 HydrophobicContact CG-CD1 3.69Å; I475-A502 CarbonylContact C-O 3.15Å; I475-A502 VanDerWaalsContact CA-O 3.31Å; I475-A502 WeakPolarHBondContact CA-O 3.33Å; I475-A502 HydrophobicContact CD1-CB 4.02Å; I475-D504 HydrophobicContact CG2-CB 3.81Å; I475-F508 HydrophobicContact CB-CD1 4.35Å; I475-F508 HydrophobicContact CB-CE1 4.27Å; I475-F508 HydrophobicContact CD1-CB 3.62Å; I475-F508 HydrophobicContact CD1-CD1 3.58Å; I475-F508 HydrophobicContact CD1-CD2 3.61Å; I475-F508 HydrophobicContact CD1-CE1 4.16Å; I475-F508 HydrophobicContact CD1-CE2 4.16Å; I475-F508 HydrophobicContact CD1-CG 3.29Å; I475-F508 HydrophobicContact CD1-CZ 4.42Å; I475-F508 HydrophobicContact CG1-CD1 3.81Å; I475-F508 HydrophobicContact CG1-CD2 3.92Å; I475-F508 HydrophobicContact CG1-CE1 3.85Å; I475-F508 HydrophobicContact CG1-CE2 3.93Å; I475-F508 HydrophobicContact CG1-CG 3.87Å; I475-F508 HydrophobicContact CG1-CZ 3.91Å; I475-F508 HydrophobicContact CG2-CD1 3.62Å; I475-F508 HydrophobicContact CG2-CE1 3.54Å; I475-F508 HydrophobicContact CG2-CG 4.48Å; I475-F508 HydrophobicContact CG2-CZ 4.31Å
476V98.3Very high97.5Very high27 Ų2745.8 Ų45.816%0.16422%0.224CC..EExtended strand (participates in β ladder)trans-103.1116.3-177.8-177.80000109.4I485 A502 K503 D504V476-I485 HydrophobicContact CB-CD1 4.43Å; V476-I485 HydrophobicContact CG1-CD1 3.51Å; V476-I485 HydrophobicContact CG1-CG1 4.17Å; V476-I485 HydrophobicContact CG2-CD1 4.07Å; V476-I485 HydrophobicContact CG2-CG1 4.1Å; V476-I485 HydrophobicContact CG2-CG2 4.11Å; V476-A502 PolarHBondContact N-O 3.32Å; V476-K503 WeakPolarHBondContact O-CA 3.44Å; V476-D504 PolarHBondContact O-N 3.37Å
477T98.3Very high97.6Very high6 Ų645.9 Ų45.94%0.03722%0.223CC..PPolyproline II helixtrans-81.3164.2172.478.30000110.5V444 K479 S480 D504V444-T477 HydrophobicContact CB-CG2 3.8Å; V444-T477 HydrophobicContact CG1-CG2 3.43Å; V444-T477 VanDerWaalsContact CG1-CG2 3.43Å; T477-K479 PolarHBondContact O-N 3.04Å; T477-K479 VanDerWaalsContact O-N 3.12Å; T477-K479 PolarHBondContact OG1-N 3.18Å; T477-S480 WeakPolarHBondContact CB-OG 3.43Å; T477-S480 PolarHBondContact N-OG 3.02Å; T477-S480 PolarHBondContact O-N 3.31Å; T477-S480 PolarHBondContact OG1-N 3.07Å; T477-S480 PolarHBondContact OG1-OG 2.99Å; T477-D504 HydrophobicContact CG2-CB 4.39Å
478P97.2Very high97.8Very high123 Ų12342.5 Ų42.580%0.79921%0.205SC*.THydrogen-bonded Turntrans-59.4-20.7172.1-25.335.7000114.6S445S445-P478 WeakPolarHBondContact OG-CD 3.43Å
479K98.5Very high98.1Very high142 Ų14233.9 Ų33.962%0.61717%0.173SC*.THydrogen-bonded Turntrans-98.5-20.5-179.5-66.5-173.8178.2179.90113.3P454 E455 T477 S481P454-K479 HydrophobicContact CB-CB 4.27Å; P454-K479 HydrophobicContact CB-CD 3.74Å; P454-K479 HydrophobicContact CG-CD 3.65Å; E455-K479 WeakPolarHBondContact CA-O 3.41Å; E455-K479 VanDerWaalsContact CB-O 3.29Å; E455-K479 WeakPolarHBondContact CB-O 3.45Å; T477-K479 PolarHBondContact O-N 3.04Å; T477-K479 VanDerWaalsContact O-N 3.12Å; T477-K479 PolarHBondContact OG1-N 3.18Å; K479-S481 PolarHBondContact O-N 3.45Å
480S98.5Very high98.2Very high15 Ų1533.2 Ų33.211%0.10517%0.169CC..  trans-55.6123.3-174.8-59.30000111.1V457 T477V457-S480 PolarHBondContact O-OG 3.01Å; T477-S480 WeakPolarHBondContact CB-OG 3.43Å; T477-S480 PolarHBondContact N-OG 3.02Å; T477-S480 PolarHBondContact O-N 3.31Å; T477-S480 PolarHBondContact OG1-N 3.07Å; T477-S480 PolarHBondContact OG1-OG 2.99Å
481S98.2Very high98.3Very high32 Ų3228.2 Ų28.222%0.22415%0.146CC..  trans-71.3153.9178.667.90000111.3E455 K479 E483 A484 I485E455-S481 WeakPolarHBondContact O-CB 3.19Å; E455-S481 PolarHBondContact O-N 2.84Å; E455-S481 PolarHBondContact O-OG 3.08Å; K479-S481 PolarHBondContact O-N 3.45Å; S481-E483 PolarHBondContact O-N 2.85Å; S481-A484 PolarHBondContact O-N 3.28Å; S481-A484 VanDerWaalsContact O-N 3.13Å; S481-A484 WeakPolarHBondContact OG-CB 3.37Å; S481-A484 PolarHBondContact OG-N 3.15Å; S481-A484 VanDerWaalsContact OG-N 3.14Å; S481-I485 VanDerWaalsContact O-CG1 3.29Å; S481-I485 WeakPolarHBondContact O-CG1 3.48Å; S481-I485 PolarHBondContact O-N 3.34Å; S481-I485 VanDerWaalsContact O-N 3.07Å
482K97.6Very high98.3Very high142 Ų14228.2 Ų28.262%0.61715%0.146SC*.Hα-helixtrans-55-36.4172.8-176.8178.5174.7-179.20112.3Y317 S486Y317-K482 HydrophobicContact CD1-CG 4.36Å; Y317-K482 WeakPolarHBondContact O-CE 3.46Å; K482-S486 WeakPolarHBondContact O-CB 3.48Å; K482-S486 PolarHBondContact O-N 3.31Å
483E97.5Very high98.2Very high47 Ų4730 Ų3022%0.2216%0.155CC..Hα-helixtrans-65.2-45.7177.5177.363.3-163.500111.5K321 K322 S481 I485 S486 R487K321-E483 PolarHBondContact N-OE1 3.05Å; K321-E483 PolarHBondContact N-OE2 2.66Å; K322-E483 PolarHBondContact N-OE1 2.94Å; S481-E483 PolarHBondContact O-N 2.85Å; E483-I485 PolarHBondContact O-N 3.16Å; E483-S486 PolarHBondContact O-N 3.25Å; E483-R487 PolarHBondContact O-N 3.34Å; E483-R487 IonicContact OE1-CZ 2.73Å; E483-R487 IonicContact OE1-NE 2.81Å; E483-R487 IonicContact OE1-NH2 3.7Å; E483-R487 PolarHBondContact OE1-NH2 3.38Å
484A98.4Very high98.2Very high0 Ų034.1 Ų34.10%017%0.173CC..Hα-helixtrans-62.9-44.4178.800000111.9V434 E455 V458 S481 R487 A488V434-A484 HydrophobicContact CG1-CB 4.29Å; V434-A484 HydrophobicContact CG2-CB 3.89Å; E455-A484 WeakPolarHBondContact O-CB 3.41Å; V458-A484 HydrophobicContact CG1-CB 4.06Å; S481-A484 PolarHBondContact O-N 3.28Å; S481-A484 VanDerWaalsContact O-N 3.13Å; S481-A484 WeakPolarHBondContact OG-CB 3.37Å; S481-A484 PolarHBondContact OG-N 3.15Å; S481-A484 VanDerWaalsContact OG-N 3.14Å; A484-R487 PolarHBondContact O-N 2.94Å; A484-A488 WeakPolarHBondContact O-CB 3.36Å; A484-A488 PolarHBondContact O-N 3.39Å
485I98.4Very high98.1Very high11 Ų1134.4 Ų34.46%0.05618%0.175CC..Hα-helixtrans-63.1-48.1176.6-56.7161.3000110.1Y317 V458 V476 S481 E483 R487 A488 V489Y317-I485 HydrophobicContact CD1-CG2 4.07Å; Y317-I485 HydrophobicContact CD2-CG2 3.66Å; Y317-I485 HydrophobicContact CE1-CD1 4.41Å; Y317-I485 HydrophobicContact CE1-CG2 3.89Å; Y317-I485 HydrophobicContact CE2-CG2 3.49Å; Y317-I485 VanDerWaalsContact CE2-CG2 3.49Å; Y317-I485 HydrophobicContact CG-CG2 3.96Å; V458-I485 HydrophobicContact CG1-CG1 4.27Å; V476-I485 HydrophobicContact CB-CD1 4.43Å; V476-I485 HydrophobicContact CG1-CD1 3.51Å; V476-I485 HydrophobicContact CG1-CG1 4.17Å; V476-I485 HydrophobicContact CG2-CD1 4.07Å; V476-I485 HydrophobicContact CG2-CG1 4.1Å; V476-I485 HydrophobicContact CG2-CG2 4.11Å; S481-I485 VanDerWaalsContact O-CG1 3.29Å; S481-I485 WeakPolarHBondContact O-CG1 3.48Å; S481-I485 PolarHBondContact O-N 3.34Å; S481-I485 VanDerWaalsContact O-N 3.07Å; E483-I485 PolarHBondContact O-N 3.16Å; I485-R487 PolarHBondContact O-N 2.89Å; I485-A488 PolarHBondContact O-N 2.74Å; I485-V489 HydrophobicContact CG2-CG2 4.25Å; I485-V489 WeakPolarHBondContact O-CB 3.26Å; I485-V489 VanDerWaalsContact O-CG2 3.28Å; I485-V489 WeakPolarHBondContact O-CG2 3.22Å; I485-V489 PolarHBondContact O-N 3.4Å
486S98.2Very high98Very high2 Ų237 Ų371%0.01420%0.202CC..Hα-helixtrans-57.8-45.6179.4170.80000111.9N315 G318 P320 K482 E483 V489 E490N315-S486 PolarHBondContact ND2-O 3.28Å; N315-S486 PolarHBondContact ND2-OG 3.44Å; G318-S486 PolarHBondContact O-OG 3.34Å; P320-S486 WeakPolarHBondContact CA-OG 3.23Å; P320-S486 WeakPolarHBondContact CD-OG 3.29Å; P320-S486 VanDerWaalsContact N-OG 3.14Å; K482-S486 WeakPolarHBondContact O-CB 3.48Å; K482-S486 PolarHBondContact O-N 3.31Å; E483-S486 PolarHBondContact O-N 3.25Å; S486-V489 PolarHBondContact O-N 2.93Å; S486-E490 WeakPolarHBondContact O-CB 3.27Å; S486-E490 PolarHBondContact O-N 3.43Å
487R98.2Very high98Very high5 Ų536.4 Ų36.42%0.01920%0.197CC..Hα-helixtrans-67.1-38.9179.6-167.2179.4-59149.314.1112.4P320 K322 A324 N405 D432 V434 E483 A484 I485 E490 L491P320-R487 HydrophobicContact CB-CB 3.97Å; P320-R487 HydrophobicContact CB-CG 4.45Å; P320-R487 HydrophobicContact CG-CB 4.42Å; K322-R487 PolarHBondContact O-NE 2.75Å; A324-R487 HydrophobicContact CB-CG 4.31Å; N405-R487 PolarHBondContact O-NH1 2.96Å; D432-R487 PolarHBondContact O-NH1 2.84Å; V434-R487 HydrophobicContact CG2-CB 4.33Å; E483-R487 PolarHBondContact O-N 3.34Å; E483-R487 IonicContact OE1-CZ 2.73Å; E483-R487 IonicContact OE1-NE 2.81Å; E483-R487 IonicContact OE1-NH2 3.7Å; E483-R487 PolarHBondContact OE1-NH2 3.38Å; A484-R487 PolarHBondContact O-N 2.94Å; I485-R487 PolarHBondContact O-N 2.89Å; R487-E490 PolarHBondContact O-N 3.4Å; R487-L491 PolarHBondContact O-N 2.82Å
488A98.6Very high98Very high0 Ų036.6 Ų36.60%020%0.197CC..Hα-helixtrans-65.3-44.6176.600000112I406 V458 L460 V474 A484 I485 L491 G492I406-A488 HydrophobicContact CD1-CB 4.37Å; V458-A488 HydrophobicContact CG2-CB 3.85Å; L460-A488 HydrophobicContact CD2-CB 3.99Å; V474-A488 HydrophobicContact CG1-CB 4.26Å; A484-A488 WeakPolarHBondContact O-CB 3.36Å; A484-A488 PolarHBondContact O-N 3.39Å; I485-A488 PolarHBondContact O-N 2.74Å; A488-L491 PolarHBondContact O-N 3.37Å; A488-G492 PolarHBondContact O-N 3.05Å; A488-G492 VanDerWaalsContact O-N 3.12Å
489V98.4Very high98.1Very high2 Ų231.1 Ų31.11%0.01216%0.162CC..Hα-helixtrans-61.4-46.5173.5171.60000110.4N315 Y317 V474 I485 S486 L491 G492 L493 V499 T501N315-V489 HydrophobicContact CB-CG1 4.01Å; Y317-V489 HydrophobicContact CD2-CG2 4.18Å; Y317-V489 HydrophobicContact CE2-CG2 4.28Å; V474-V489 HydrophobicContact CG1-CG2 4.42Å; V474-V489 HydrophobicContact CG2-CG2 4.15Å; I485-V489 HydrophobicContact CG2-CG2 4.25Å; I485-V489 WeakPolarHBondContact O-CB 3.26Å; I485-V489 VanDerWaalsContact O-CG2 3.28Å; I485-V489 WeakPolarHBondContact O-CG2 3.22Å; I485-V489 PolarHBondContact O-N 3.4Å; S486-V489 PolarHBondContact O-N 2.93Å; V489-L491 VanDerWaalsContact C-N 3.34Å; V489-L491 PolarHBondContact O-N 3.32Å; V489-G492 PolarHBondContact O-N 3.47Å; V489-L493 HydrophobicContact CG1-CD1 3.86Å; V489-L493 HydrophobicContact CG1-CG 4.27Å; V489-L493 VanDerWaalsContact O-CG 3.27Å; V489-L493 WeakPolarHBondContact O-CG 3.47Å; V489-L493 PolarHBondContact O-N 2.98Å; V489-V499 HydrophobicContact CB-CG1 4.3Å; V489-V499 HydrophobicContact CG1-CB 4.44Å; V489-V499 HydrophobicContact CG1-CG1 4.05Å; V489-V499 HydrophobicContact CG2-CG1 3.98Å; V489-T501 HydrophobicContact CG2-CG2 4.18Å
490E98.3Very high98.1Very high37 Ų3724.4 Ų24.417%0.17313%0.133CC..Hα-helixtrans-58.9-43.9178.5-167.3-166.7-131.800112.2P320 S486 R487 L493 K494P320-E490 HydrophobicContact CG-CB 4.17Å; P320-E490 HydrophobicContact CG-CG 4.42Å; P320-E490 WeakPolarHBondContact CG-OE2 3.28Å; S486-E490 WeakPolarHBondContact O-CB 3.27Å; S486-E490 PolarHBondContact O-N 3.43Å; R487-E490 PolarHBondContact O-N 3.4Å; E490-L493 PolarHBondContact O-N 3.3Å; E490-K494 HydrophobicContact CG-CD 4.17Å; E490-K494 HydrophobicContact CG-CG 4.49Å; E490-K494 WeakPolarHBondContact O-CB 3.39Å; E490-K494 WeakPolarHBondContact O-CG 3.17Å; E490-K494 PolarHBondContact O-N 3.1Å; E490-K494 IonicContact OE1-NZ 3.72Å; E490-K494 PolarHBondContact OE1-NZ 3.12Å; E490-K494 IonicContact OE2-NZ 2.76Å; E490-K494 PolarHBondContact OE2-NZ 2.95Å
491L98.6Very high98.1Very high0 Ų024 Ų240%013%0.13CC..Hα-helixtrans-59.7-48.4176.8176.659.6000111.4A324 V327 I348 I406 I408 R487 A488 V489 L493 K494 Q495A324-L491 HydrophobicContact CB-CB 4.13Å; A324-L491 HydrophobicContact CB-CD1 4.14Å; V327-L491 HydrophobicContact CG1-CD2 4.28Å; V327-L491 HydrophobicContact CG2-CD1 3.79Å; V327-L491 HydrophobicContact CG2-CD2 4.15Å; I348-L491 HydrophobicContact CD1-CD1 4.19Å; I406-L491 HydrophobicContact CD1-CD2 4.04Å; I406-L491 HydrophobicContact CG2-CD2 3.85Å; I408-L491 HydrophobicContact CD1-CD2 3.8Å; I408-L491 HydrophobicContact CG1-CD2 4.49Å; R487-L491 PolarHBondContact O-N 2.82Å; A488-L491 PolarHBondContact O-N 3.37Å; V489-L491 VanDerWaalsContact C-N 3.34Å; V489-L491 PolarHBondContact O-N 3.32Å; L491-L493 VanDerWaalsContact C-N 3.33Å; L491-L493 PolarHBondContact O-N 3.32Å; L491-K494 PolarHBondContact O-N 3.22Å; L491-Q495 HydrophobicContact CD1-CG 4.18Å; L491-Q495 WeakPolarHBondContact O-CB 3.25Å; L491-Q495 WeakPolarHBondContact O-CG 3.38Å; L491-Q495 PolarHBondContact O-N 3.28Å
492G98.5Very high98Very high0 Ų022.6 Ų22.60%012%0.12CC..Hα-helixtrans-57.4-44.9176.900000112.9L472 A488 V489 Q495 G496 K497L472-G492 VanDerWaalsContact CD2-CA 3.48Å; A488-G492 PolarHBondContact O-N 3.05Å; A488-G492 VanDerWaalsContact O-N 3.12Å; V489-G492 PolarHBondContact O-N 3.47Å; G492-Q495 WeakPolarHBondContact O-CB 3.45Å; G492-Q495 PolarHBondContact O-N 2.87Å; G492-G496 PolarHBondContact O-N 3.4Å; G492-K497 VanDerWaalsContact O-CB 3.26Å; G492-K497 WeakPolarHBondContact O-CB 3.45Å; G492-K497 WeakPolarHBondContact O-CG 3.46Å; G492-K497 PolarHBondContact O-N 2.89Å
493L97.9Very high98Very high38 Ų3821.1 Ų21.120%0.19911%0.114CC..Hα-helixtrans-62.9-43.9176.6-67.4175.4000111.8C312 N315 V489 E490 L491 Q495 G496 V499C312-L493 WeakPolarHBondContact O-CD2 3.44Å; N315-L493 HydrophobicContact CB-CD1 4.02Å; V489-L493 HydrophobicContact CG1-CD1 3.86Å; V489-L493 HydrophobicContact CG1-CG 4.27Å; V489-L493 VanDerWaalsContact O-CG 3.27Å; V489-L493 WeakPolarHBondContact O-CG 3.47Å; V489-L493 PolarHBondContact O-N 2.98Å; E490-L493 PolarHBondContact O-N 3.3Å; L491-L493 VanDerWaalsContact C-N 3.33Å; L491-L493 PolarHBondContact O-N 3.32Å; L493-Q495 VanDerWaalsContact C-N 3.31Å; L493-Q495 PolarHBondContact O-N 3.06Å; L493-G496 WeakPolarHBondContact O-CA 3.46Å; L493-G496 PolarHBondContact O-N 3.33Å; L493-V499 HydrophobicContact CD2-CB 4.27Å; L493-V499 HydrophobicContact CD2-CG2 3.89Å; L493-V499 HydrophobicContact CG-CG2 3.99Å
494K96.9Very high98Very high86 Ų8620.2 Ų20.237%0.37411%0.11SC..Hα-helixtrans-63.3-36.5176.1-76.8175.6174.1165.70112.1K346 I348 E490 L491 G496K346-K494 WeakPolarHBondContact CG-O 3.45Å; I348-K494 HydrophobicContact CD1-CB 4.05Å; E490-K494 HydrophobicContact CG-CD 4.17Å; E490-K494 HydrophobicContact CG-CG 4.49Å; E490-K494 WeakPolarHBondContact O-CB 3.39Å; E490-K494 WeakPolarHBondContact O-CG 3.17Å; E490-K494 PolarHBondContact O-N 3.1Å; E490-K494 IonicContact OE1-NZ 3.72Å; E490-K494 PolarHBondContact OE1-NZ 3.12Å; E490-K494 IonicContact OE2-NZ 2.76Å; E490-K494 PolarHBondContact OE2-NZ 2.95Å; L491-K494 PolarHBondContact O-N 3.22Å; K494-G496 PolarHBondContact O-N 2.9Å
495Q97.6Very high97.7Very high7 Ų721.2 Ų21.23%0.03312%0.117CC..THydrogen-bonded Turntrans-66-8.8171.3-72171.2-17.300113.3V342 T343 K346 Y462 L491 G492 L493 K497V342-Q495 HydrophobicContact CG2-CB 4.45Å; V342-Q495 HydrophobicContact CG2-CG 4.26Å; T343-Q495 PolarHBondContact OG1-NE2 2.69Å; K346-Q495 VanDerWaalsContact CE-O 3.3Å; K346-Q495 WeakPolarHBondContact CE-O 3.25Å; Y462-Q495 VanDerWaalsContact CE1-OE1 3.32Å; Y462-Q495 PolarHBondContact OH-NE2 3.04Å; Y462-Q495 PolarHBondContact OH-OE1 3.47Å; L491-Q495 HydrophobicContact CD1-CG 4.18Å; L491-Q495 WeakPolarHBondContact O-CB 3.25Å; L491-Q495 WeakPolarHBondContact O-CG 3.38Å; L491-Q495 PolarHBondContact O-N 3.28Å; G492-Q495 WeakPolarHBondContact O-CB 3.45Å; G492-Q495 PolarHBondContact O-N 2.87Å; L493-Q495 VanDerWaalsContact C-N 3.31Å; L493-Q495 PolarHBondContact O-N 3.06Å; Q495-K497 HydrophobicContact CB-CG 4.25Å
496G96.2Very high97.3Very high56 Ų5622 Ų2258%0.57712%0.123SC*.THydrogen-bonded Turntrans8322.5-18000000113.9G492 L493 K494G492-G496 PolarHBondContact O-N 3.4Å; L493-G496 WeakPolarHBondContact O-CA 3.46Å; L493-G496 PolarHBondContact O-N 3.33Å; K494-G496 PolarHBondContact O-N 2.9Å
497K98.4Very high97Very high14 Ų1421.9 Ų21.96%0.06112%0.122CC..  trans-83.1154.2175.2-55.5-61.8-176.4-1750111.6V466 M469 Q470 L472 G492 Q495 V499V466-K497 PolarHBondContact O-NZ 2.64Å; M469-K497 PolarHBondContact O-NZ 2.97Å; Q470-K497 CarbonylContact O-C 3.59Å; Q470-K497 WeakPolarHBondContact O-CA 3.47Å; L472-K497 HydrophobicContact CB-CB 3.83Å; L472-K497 HydrophobicContact CB-CG 3.99Å; G492-K497 VanDerWaalsContact O-CB 3.26Å; G492-K497 WeakPolarHBondContact O-CB 3.45Å; G492-K497 WeakPolarHBondContact O-CG 3.46Å; G492-K497 PolarHBondContact O-N 2.89Å; Q495-K497 HydrophobicContact CB-CG 4.25Å; K497-V499 HydrophobicContact CB-CG2 4.28Å
498L98.3Very high96.8Very high9 Ų921.7 Ų21.75%0.04712%0.121CC..EExtended strand (participates in β ladder)trans-81.4125.7155-62.6178.2000107C312 K313 Q470 L471 L472 I664 F668C312-L498 HydrophobicContact CB-CB 4.42Å; K313-L498 HydrophobicContact CD-CD2 4.4Å; K313-L498 HydrophobicContact CG-CD2 3.79Å; Q470-L498 PolarHBondContact O-N 3.02Å; L471-L498 CarbonylContact C-O 3.58Å; L471-L498 WeakPolarHBondContact CA-O 3.2Å; L472-L498 PolarHBondContact N-O 3.35Å; L498-I664 HydrophobicContact CB-CG2 4.18Å; L498-I664 HydrophobicContact CD1-CG2 4.07Å; L498-F668 HydrophobicContact CD1-CB 4.1Å; L498-F668 HydrophobicContact CD1-CD1 4.02Å; L498-F668 HydrophobicContact CD1-CD2 3.62Å; L498-F668 HydrophobicContact CD1-CE1 4.34Å; L498-F668 HydrophobicContact CD1-CE2 3.96Å; L498-F668 HydrophobicContact CD1-CG 3.63Å; L498-F668 HydrophobicContact CD1-CZ 4.3Å
499V98.6Very high96.7Very high9 Ų921.7 Ų21.76%0.05512%0.121CC..EExtended strand (participates in β ladder)trans-109.5126.2-175.1-177.80000109.8C312 L472 V474 V489 L493 K497C312-V499 PolarHBondContact O-N 2.98Å; L472-V499 HydrophobicContact CB-CG2 4.43Å; L472-V499 HydrophobicContact CD2-CG2 4.4Å; L472-V499 WeakPolarHBondContact O-CA 3.44Å; V474-V499 HydrophobicContact CB-CG1 4.47Å; V474-V499 HydrophobicContact CG2-CG1 3.5Å; V474-V499 VanDerWaalsContact CG2-CG1 3.5Å; V489-V499 HydrophobicContact CB-CG1 4.3Å; V489-V499 HydrophobicContact CG1-CB 4.44Å; V489-V499 HydrophobicContact CG1-CG1 4.05Å; V489-V499 HydrophobicContact CG2-CG1 3.98Å; L493-V499 HydrophobicContact CD2-CB 4.27Å; L493-V499 HydrophobicContact CD2-CG2 3.89Å; L493-V499 HydrophobicContact CG-CG2 3.99Å; K497-V499 HydrophobicContact CB-CG2 4.28Å
500I98.4Very high96.6Very high0 Ų021.6 Ų21.60%012%0.121CC..EExtended strand (participates in β ladder)trans-114.4156167.767.1170.2000109.4L471 L472 E473 V474 Y509 T510 Q661 I664L471-I500 HydrophobicContact CD1-CD1 4.21Å; L471-I500 HydrophobicContact CD1-CG1 4.04Å; L471-I500 HydrophobicContact CD1-CG2 3.91Å; L471-I500 HydrophobicContact CD2-CD1 4.19Å; L472-I500 PolarHBondContact O-N 2.83Å; L472-I500 VanDerWaalsContact O-N 3.09Å; E473-I500 HydrophobicContact CB-CD1 4.28Å; E473-I500 HydrophobicContact CB-CG1 4.02Å; E473-I500 HydrophobicContact CG-CD1 4.1Å; E473-I500 HydrophobicContact CG-CG1 4.05Å; V474-I500 PolarHBondContact N-O 3Å; I500-Y509 HydrophobicContact CD1-CD1 4.04Å; I500-T510 HydrophobicContact CD1-CG2 4.39Å; I500-Q661 HydrophobicContact CB-CB 4.2Å; I500-Q661 HydrophobicContact CB-CG 4.49Å; I500-Q661 HydrophobicContact CG2-CB 3.96Å; I500-Q661 HydrophobicContact CG2-CG 4.26Å; I500-I664 HydrophobicContact CG2-CB 4.4Å; I500-I664 HydrophobicContact CG2-CG2 4.08Å
501T98.1Very high96.4Very high7 Ų720.5 Ų20.54%0.04312%0.117CC..EExtended strand (participates in β ladder)trans-111.8133.6171.858.20000111.1Y317 V474 V489 Q661Y317-T501 HydrophobicContact CE2-CG2 3.67Å; Y317-T501 PolarHBondContact OH-OG1 2.89Å; V474-T501 HydrophobicContact CB-CG2 4.21Å; V474-T501 WeakPolarHBondContact O-CA 3.38Å; V489-T501 HydrophobicContact CG2-CG2 4.18Å; T501-Q661 PolarHBondContact O-OE1 2.87Å
502A97.7Very high96.2Very high2 Ų220.5 Ų20.52%0.01712%0.117CC..EExtended strand (participates in β ladder)trans-124.8145.2173.100000109.8E473 V474 I475 V476 F508 V655E473-A502 HydrophobicContact CG-CB 4.11Å; E473-A502 WeakPolarHBondContact OE1-CB 3.16Å; V474-A502 PolarHBondContact O-N 3.44Å; I475-A502 CarbonylContact C-O 3.15Å; I475-A502 VanDerWaalsContact CA-O 3.31Å; I475-A502 WeakPolarHBondContact CA-O 3.33Å; I475-A502 HydrophobicContact CD1-CB 4.02Å; V476-A502 PolarHBondContact N-O 3.32Å; A502-F508 HydrophobicContact CB-CB 4.45Å; A502-V655 CarbonylContact C-O 3.59Å; A502-V655 WeakPolarHBondContact CA-O 3.44Å; A502-V655 HydrophobicContact CB-CG1 4.29Å
503K97.4Very high96.2Very high112 Ų11220.5 Ų20.549%0.48712%0.117SC..EExtended strand (participates in β ladder)trans-69.2150.4168.6-67.6-174.1-173.4157.60110.3V476 S505 G654 V655V476-K503 WeakPolarHBondContact O-CA 3.44Å; K503-S505 PolarHBondContact O-N 3Å; K503-G654 WeakPolarHBondContact CD-O 2.97Å; K503-G654 WeakPolarHBondContact CE-O 3.43Å; K503-G654 WeakPolarHBondContact CG-O 3.2Å; K503-G654 PolarHBondContact NZ-O 3.39Å; K503-G654 VanDerWaalsContact NZ-O 3.1Å; K503-V655 PolarHBondContact N-O 3.1Å
504D96.5Very high96Very high28 Ų2819.9 Ų19.915%0.1511%0.114CC..SBendtrans-62.3109.7168.5-172.638.4000110S443 V444 S445 I475 V476 T477 F508S443-D504 WeakPolarHBondContact CA-OD1 3.34Å; S443-D504 PolarHBondContact OG-OD2 3.34Å; V444-D504 PolarHBondContact N-OD1 3.14Å; V444-D504 PolarHBondContact N-OD2 3.1Å; S445-D504 WeakPolarHBondContact CA-OD2 2.93Å; S445-D504 WeakPolarHBondContact CB-OD2 3.26Å; S445-D504 PolarHBondContact N-OD2 3.18Å; S445-D504 PolarHBondContact OG-OD2 3.01Å; I475-D504 HydrophobicContact CG2-CB 3.81Å; V476-D504 PolarHBondContact O-N 3.37Å; T477-D504 HydrophobicContact CG2-CB 4.39Å; D504-F508 WeakPolarHBondContact OD1-CE1 3.47Å
505S93.2Very high96Very high21 Ų2116.1 Ų16.115%0.14710%0.098CC..  trans-151.9151.5-178-179.40000107.2K503 G507 F508K503-S505 PolarHBondContact O-N 3Å; S505-G507 PolarHBondContact O-N 3.16Å; S505-F508 WeakPolarHBondContact O-CD1 3.3Å; S505-F508 PolarHBondContact O-N 3.13Å
506P90Very high95.9Very high26 Ų2615.9 Ų15.917%0.16910%0.097CC..THydrogen-bonded Turntrans-53.6116.4-179.9-28.336.3000112.8F508 Y565 L566 Q569 F570P506-F508 VanDerWaalsContact C-N 3.29Å; P506-F508 PolarHBondContact O-N 3.06Å; P506-Y565 HydrophobicContact CB-CE1 3.83Å; P506-L566 HydrophobicContact CB-CD2 4.12Å; P506-Q569 HydrophobicContact CB-CB 3.84Å; P506-Q569 HydrophobicContact CB-CG 3.8Å; P506-Q569 HydrophobicContact CG-CB 3.86Å; P506-Q569 HydrophobicContact CG-CG 3.79Å; P506-F570 HydrophobicContact CB-CE2 3.75Å; P506-F570 HydrophobicContact CB-CZ 3.81Å; P506-F570 HydrophobicContact CG-CZ 4.18Å; P506-F570 WeakPolarHBondContact O-CE2 3.35Å
507G90.6Very high95.8Very high0 Ų013.3 Ų13.30%07%0.07CC..THydrogen-bonded Turntrans74.810.8-176.600000115.4S505 Y509 T511 R512S505-G507 PolarHBondContact O-N 3.16Å; G507-Y509 PolarHBondContact O-N 3.46Å; G507-T511 VanDerWaalsContact O-CB 3.25Å; G507-T511 WeakPolarHBondContact O-CB 3.35Å; G507-T511 PolarHBondContact O-N 3.26Å; G507-R512 PolarHBondContact O-N 3.03Å
508F94.5Very high95.6Very high1 Ų113.1 Ų13.10%0.0047%0.069CC..THydrogen-bonded Turntrans50.1-133.9178.6-46.8-47.5000111.7T439 V444 E473 I475 A502 D504 S505 P506T439-F508 HydrophobicContact CG2-CE2 4.46Å; T439-F508 HydrophobicContact CG2-CZ 4.07Å; V444-F508 HydrophobicContact CG2-CE1 4.1Å; V444-F508 HydrophobicContact CG2-CZ 3.97Å; E473-F508 VanDerWaalsContact OE1-CB 3.29Å; E473-F508 WeakPolarHBondContact OE1-CB 3.33Å; I475-F508 HydrophobicContact CB-CD1 4.35Å; I475-F508 HydrophobicContact CB-CE1 4.27Å; I475-F508 HydrophobicContact CD1-CB 3.62Å; I475-F508 HydrophobicContact CD1-CD1 3.58Å; I475-F508 HydrophobicContact CD1-CD2 3.61Å; I475-F508 HydrophobicContact CD1-CE1 4.16Å; I475-F508 HydrophobicContact CD1-CE2 4.16Å; I475-F508 HydrophobicContact CD1-CG 3.29Å; I475-F508 HydrophobicContact CD1-CZ 4.42Å; I475-F508 HydrophobicContact CG1-CD1 3.81Å; I475-F508 HydrophobicContact CG1-CD2 3.92Å; I475-F508 HydrophobicContact CG1-CE1 3.85Å; I475-F508 HydrophobicContact CG1-CE2 3.93Å; I475-F508 HydrophobicContact CG1-CG 3.87Å; I475-F508 HydrophobicContact CG1-CZ 3.91Å; I475-F508 HydrophobicContact CG2-CD1 3.62Å; I475-F508 HydrophobicContact CG2-CE1 3.54Å; I475-F508 HydrophobicContact CG2-CG 4.48Å; I475-F508 HydrophobicContact CG2-CZ 4.31Å; A502-F508 HydrophobicContact CB-CB 4.45Å; D504-F508 WeakPolarHBondContact OD1-CE1 3.47Å; S505-F508 WeakPolarHBondContact O-CD1 3.3Å; S505-F508 PolarHBondContact O-N 3.13Å; P506-F508 VanDerWaalsContact C-N 3.29Å; P506-F508 PolarHBondContact O-N 3.06Å
509Y96.9Very high95.5Very high0 Ų012.7 Ų12.70%07%0.067CC..THydrogen-bonded Turntrans-94.6-56.7169174.1-115.6000111.3E473 I500 G507 R512 I513 A647 C650 I656 G662E473-Y509 WeakPolarHBondContact OE1-CA 3.24Å; E473-Y509 VanDerWaalsContact OE1-CB 3.23Å; E473-Y509 WeakPolarHBondContact OE1-CB 3.18Å; E473-Y509 PolarHBondContact OE1-N 3.46Å; I500-Y509 HydrophobicContact CD1-CD1 4.04Å; G507-Y509 PolarHBondContact O-N 3.46Å; Y509-R512 PolarHBondContact O-N 3.41Å; Y509-I513 HydrophobicContact CD1-CD1 4.28Å; Y509-I513 HydrophobicContact CD2-CD1 4.4Å; Y509-I513 HydrophobicContact CD2-CG2 4.21Å; Y509-I513 HydrophobicContact CE1-CD1 3.68Å; Y509-I513 HydrophobicContact CE2-CD1 3.86Å; Y509-I513 HydrophobicContact CE2-CG2 3.98Å; Y509-I513 VanDerWaalsContact CZ-CD1 3.44Å; Y509-I513 WeakPolarHBondContact O-CG2 3.31Å; Y509-I513 PolarHBondContact O-N 3.22Å; Y509-I513 VanDerWaalsContact O-N 3.16Å; Y509-A647 HydrophobicContact CE2-CB 4.01Å; Y509-C650 HydrophobicContact CD2-CB 3.66Å; Y509-C650 HydrophobicContact CE2-CB 4.1Å; Y509-I656 HydrophobicContact CD1-CG2 4Å; Y509-I656 HydrophobicContact CD2-CD1 4.19Å; Y509-I656 HydrophobicContact CD2-CG1 4.48Å; Y509-I656 HydrophobicContact CD2-CG2 3.55Å; Y509-I656 HydrophobicContact CE2-CD1 3.79Å; Y509-I656 HydrophobicContact CE2-CG2 4.17Å; Y509-I656 HydrophobicContact CG-CG2 3.44Å; Y509-I656 VanDerWaalsContact CG-CG2 3.44Å; Y509-G662 WeakPolarHBondContact CE1-O 3.41Å; Y509-G662 VanDerWaalsContact CZ-CA 3.46Å; Y509-G662 VanDerWaalsContact OH-C 3.23Å; Y509-G662 VanDerWaalsContact OH-CA 3.22Å; Y509-G662 WeakPolarHBondContact OH-CA 3.46Å; Y509-G662 PolarHBondContact OH-O 2.93Å
510T96.3Very high95.3Very high1 Ų112.3 Ų12.31%0.0067%0.065CC..Hα-helixtrans-72.4-44-165.662.50000113.8H461 F463 L471 E473 I500 R512 I513 L514 L670H461-T510 PolarHBondContact CE1-OG1 2.93Å; H461-T510 PolarHBondContact ND1-OG1 3.5Å; F463-T510 HydrophobicContact CE1-CG2 4.46Å; F463-T510 HydrophobicContact CZ-CG2 3.81Å; F463-T510 VanDerWaalsContact CZ-OG1 3.32Å; F463-T510 WeakPolarHBondContact CZ-OG1 3.39Å; L471-T510 HydrophobicContact CD2-CG2 3.86Å; E473-T510 PolarHBondContact OE1-N 2.73Å; E473-T510 PolarHBondContact OE2-OG1 3.16Å; I500-T510 HydrophobicContact CD1-CG2 4.39Å; T510-R512 VanDerWaalsContact C-N 3.29Å; T510-R512 PolarHBondContact O-N 3.47Å; T510-I513 WeakPolarHBondContact O-CG1 3.5Å; T510-L514 WeakPolarHBondContact O-CB 3.37Å; T510-L514 PolarHBondContact O-N 3.03Å; T510-L670 WeakPolarHBondContact O-CD1 3.31Å
511T94.4Very high95.2Very high14 Ų1412.8 Ų12.89%0.0867%0.067CC..Hα-helixtrans-63.6-39.7178.3-58.50000110.5S440 H461 G507 S515 I562S440-T511 PolarHBondContact O-OG1 3.22Å; H461-T511 PolarHBondContact CE1-OG1 3.43Å; G507-T511 VanDerWaalsContact O-CB 3.25Å; G507-T511 WeakPolarHBondContact O-CB 3.35Å; G507-T511 PolarHBondContact O-N 3.26Å; T511-S515 WeakPolarHBondContact O-CB 3.46Å; T511-S515 PolarHBondContact O-N 3.38Å; T511-S515 PolarHBondContact O-OG 2.64Å; T511-I562 HydrophobicContact CG2-CD1 4.11Å; T511-I562 HydrophobicContact CG2-CG2 3.46Å; T511-I562 VanDerWaalsContact CG2-CG2 3.46Å
512R94.8Very high95.2Very high0 Ų013 Ų130%07%0.068CC..Hα-helixtrans-63.9-49.5-179.5-175.3174.5151.9174.3-2.6112.7G507 Y509 T510 S515 S516 F570 R573 M574 E646 C650 E653G507-R512 PolarHBondContact O-N 3.03Å; Y509-R512 PolarHBondContact O-N 3.41Å; T510-R512 VanDerWaalsContact C-N 3.29Å; T510-R512 PolarHBondContact O-N 3.47Å; R512-S515 PolarHBondContact O-N 2.99Å; R512-S516 PolarHBondContact O-N 3.32Å; R512-F570 HydrophobicContact CG-CE2 4.4Å; R512-R573 VanDerWaalsContact NH2-NH2 3.2Å; R512-M574 HydrophobicContact CG-CE 4.33Å; R512-E646 HydrophobicContact CG-CG 3.82Å; R512-E646 IonicContact CZ-OE1 2.82Å; R512-E646 VanDerWaalsContact CZ-OE1 3.23Å; R512-E646 IonicContact NE-OE1 2.75Å; R512-E646 PolarHBondContact NE-OE1 2.82Å; R512-E646 IonicContact NH2-OE1 3.66Å; R512-E646 PolarHBondContact NH2-OE1 3.45Å; R512-C650 PolarHBondContact NE-SG 2.83Å; R512-E653 IonicContact CZ-OE1 2.59Å; R512-E653 IonicContact CZ-OE2 3.18Å; R512-E653 IonicContact NH1-OE1 2.73Å; R512-E653 IonicContact NH1-OE2 3.15Å; R512-E653 PolarHBondContact NH1-OE2 3.42Å; R512-E653 VanDerWaalsContact NH2-CD 3.3Å; R512-E653 IonicContact NH2-OE1 3.18Å; R512-E653 PolarHBondContact NH2-OE1 2.79Å; R512-E653 IonicContact NH2-OE2 2.82Å; R512-E653 PolarHBondContact NH2-OE2 3.48Å
513I96.9Very high95Very high0 Ų013.8 Ų13.80%07%0.071CC..Hα-helixtrans-72.3-33.1179.570.6-174.4000112.8Y509 T510 S516 F643 E646 A647 A666 L670Y509-I513 HydrophobicContact CD1-CD1 4.28Å; Y509-I513 HydrophobicContact CD2-CD1 4.4Å; Y509-I513 HydrophobicContact CD2-CG2 4.21Å; Y509-I513 HydrophobicContact CE1-CD1 3.68Å; Y509-I513 HydrophobicContact CE2-CD1 3.86Å; Y509-I513 HydrophobicContact CE2-CG2 3.98Å; Y509-I513 VanDerWaalsContact CZ-CD1 3.44Å; Y509-I513 WeakPolarHBondContact O-CG2 3.31Å; Y509-I513 PolarHBondContact O-N 3.22Å; Y509-I513 VanDerWaalsContact O-N 3.16Å; T510-I513 WeakPolarHBondContact O-CG1 3.5Å; I513-S516 PolarHBondContact O-OG 3.14Å; I513-F643 HydrophobicContact CD1-CE1 3.76Å; I513-F643 HydrophobicContact CD1-CE2 4.4Å; I513-F643 HydrophobicContact CD1-CZ 3.66Å; I513-F643 HydrophobicContact CG1-CE1 4.17Å; I513-F643 HydrophobicContact CG1-CE2 4.07Å; I513-F643 HydrophobicContact CG1-CZ 3.83Å; I513-F643 WeakPolarHBondContact O-CD2 3.35Å; I513-E646 HydrophobicContact CB-CB 4.49Å; I513-E646 HydrophobicContact CG2-CB 4Å; I513-E646 HydrophobicContact CG2-CG 4.1Å; I513-A647 HydrophobicContact CG2-CB 4.07Å; I513-A666 HydrophobicContact CD1-CB 4.36Å; I513-L670 HydrophobicContact CD1-CD1 3.59Å; I513-L670 HydrophobicContact CG1-CD1 3.42Å; I513-L670 VanDerWaalsContact CG1-CD1 3.42Å
514L95.4Very high95Very high25 Ų258.5 Ų8.513%0.1315%0.048CC..Hα-helixtrans-66-42.2173.4-179.263.9000110.7T510 S516 M517 L518 L550 L670T510-L514 WeakPolarHBondContact O-CB 3.37Å; T510-L514 PolarHBondContact O-N 3.03Å; L514-S516 PolarHBondContact O-N 2.98Å; L514-M517 HydrophobicContact CD1-CE 3.61Å; L514-M517 WeakPolarHBondContact O-CB 3.34Å; L514-M517 PolarHBondContact O-N 3.46Å; L514-L518 HydrophobicContact CD1-CD1 4.36Å; L514-L518 HydrophobicContact CD1-CG 4.27Å; L514-L518 HydrophobicContact CD2-CD1 4.24Å; L514-L518 HydrophobicContact CG-CD1 3.9Å; L514-L518 HydrophobicContact CG-CG 4.2Å; L514-L518 WeakPolarHBondContact O-CG 3.49Å; L514-L518 PolarHBondContact O-N 2.91Å; L514-L550 HydrophobicContact CD1-CD2 3.82Å; L514-L670 HydrophobicContact CB-CD1 4.1Å; L514-L670 HydrophobicContact CB-CD2 4.1Å; L514-L670 HydrophobicContact CD2-CD2 4.1Å; L514-L670 HydrophobicContact CG-CD2 4.49Å
515S95.2Very high95Very high6 Ų67.7 Ų7.74%0.0424%0.043CC..Hα-helixtrans-64-39.2-177.7-65.60000112.6T511 R512 M517 L518 L519 L566T511-S515 WeakPolarHBondContact O-CB 3.46Å; T511-S515 PolarHBondContact O-N 3.38Å; T511-S515 PolarHBondContact O-OG 2.64Å; R512-S515 PolarHBondContact O-N 2.99Å; S515-M517 VanDerWaalsContact C-N 3.28Å; S515-M517 PolarHBondContact O-N 2.8Å; S515-L518 PolarHBondContact O-N 3.21Å; S515-L519 VanDerWaalsContact O-CG 3.31Å; S515-L519 WeakPolarHBondContact O-CG 3.39Å; S515-L519 PolarHBondContact O-N 2.83Å; S515-L566 VanDerWaalsContact CB-CD1 3.42Å; S515-L566 VanDerWaalsContact OG-CD1 3.31Å; S515-L566 WeakPolarHBondContact OG-CD1 3.23Å
516S95.3Very high95.2Very high2 Ų26.9 Ų6.91%0.0144%0.037CC..Hα-helixtrans-60-40.1177.469.20000112R512 I513 L514 E520 R642R512-S516 PolarHBondContact O-N 3.32Å; I513-S516 PolarHBondContact O-OG 3.14Å; L514-S516 PolarHBondContact O-N 2.98Å; S516-E520 PolarHBondContact O-N 3Å; S516-R642 PolarHBondContact O-NE 3.09Å; S516-R642 VanDerWaalsContact O-NE 3.15Å; S516-R642 PolarHBondContact O-NH2 3.2Å; S516-R642 VanDerWaalsContact OG-C 3.26Å; S516-R642 PolarHBondContact OG-O 3.38Å
517M95.2Very high95.4Very high2 Ų26.6 Ų6.61%0.013%0.034CC..Hα-helixtrans-70.3-43.5175.3-177.2-157.679.300112.4L514 S515 L519 E520 M521 F547 L550 M639 F643L514-M517 HydrophobicContact CD1-CE 3.61Å; L514-M517 WeakPolarHBondContact O-CB 3.34Å; L514-M517 PolarHBondContact O-N 3.46Å; S515-M517 VanDerWaalsContact C-N 3.28Å; S515-M517 PolarHBondContact O-N 2.8Å; M517-L519 VanDerWaalsContact C-N 3.31Å; M517-L519 PolarHBondContact O-N 3.25Å; M517-E520 WeakPolarHBondContact O-CB 3.37Å; M517-E520 PolarHBondContact O-N 3.29Å; M517-E520 VanDerWaalsContact O-N 3.15Å; M517-M521 PolarHBondContact O-N 3.13Å; M517-F547 HydrophobicContact CE-CB 4.39Å; M517-F547 HydrophobicContact CE-CD1 3.52Å; M517-F547 HydrophobicContact CE-CD2 4.03Å; M517-F547 HydrophobicContact CE-CE1 3.62Å; M517-F547 HydrophobicContact CE-CE2 4.13Å; M517-F547 HydrophobicContact CE-CG 3.73Å; M517-F547 HydrophobicContact CE-CZ 3.93Å; M517-F547 HydrophobicContact CG-CD2 4.25Å; M517-F547 HydrophobicContact CG-CE2 3.85Å; M517-F547 HydrophobicContact CG-CZ 4.11Å; M517-F547 HydrophobicContact SD-CD1 3.95Å; M517-F547 HydrophobicContact SD-CD2 4.03Å; M517-F547 HydrophobicContact SD-CE1 3.42Å; M517-F547 WeakPolarHBondContact SD-CE1 3.44Å; M517-F547 HydrophobicContact SD-CE2 3.52Å; M517-F547 VanDerWaalsContact SD-CE2 3.52Å; M517-F547 HydrophobicContact SD-CG 4.23Å; M517-F547 HydrophobicContact SD-CZ 3.17Å; M517-F547 WeakPolarHBondContact SD-CZ 3.33Å; M517-L550 HydrophobicContact CE-CD2 4.4Å; M517-M639 HydrophobicContact CG-CB 4.13Å; M517-F643 HydrophobicContact CB-CB 4.2Å; M517-F643 HydrophobicContact CB-CD2 4.02Å; M517-F643 HydrophobicContact CG-CD2 4.44Å; M517-F643 HydrophobicContact SD-CD2 3.93Å
518L93.9Very high95.7Very high10 Ų109.6 Ų9.65%0.0527%0.065CC..Hα-helixtrans-65.7-34179.4-70.1179.5000112.3L514 S515 E520 M521 L522L514-L518 HydrophobicContact CD1-CD1 4.36Å; L514-L518 HydrophobicContact CD1-CG 4.27Å; L514-L518 HydrophobicContact CD2-CD1 4.24Å; L514-L518 HydrophobicContact CG-CD1 3.9Å; L514-L518 HydrophobicContact CG-CG 4.2Å; L514-L518 WeakPolarHBondContact O-CG 3.49Å; L514-L518 PolarHBondContact O-N 2.91Å; S515-L518 PolarHBondContact O-N 3.21Å; L518-E520 VanDerWaalsContact C-N 3.29Å; L518-E520 PolarHBondContact O-N 2.98Å; L518-M521 HydrophobicContact CB-CE 4.4Å; L518-M521 HydrophobicContact CD2-CE 3.73Å; L518-M521 WeakPolarHBondContact O-CB 3.42Å; L518-M521 PolarHBondContact O-N 3.39Å; L518-L522 WeakPolarHBondContact O-CG 3.43Å; L518-L522 PolarHBondContact O-N 3.47Å
519L96.1Very high95.7Very high1 Ų110 Ų101%0.0057%0.067CC..Hα-helixtrans-58.4-43.9171.5-76.4165.2000111S515 M517 M521 L522 R523 L563 M574 V577 L579S515-L519 VanDerWaalsContact O-CG 3.31Å; S515-L519 WeakPolarHBondContact O-CG 3.39Å; S515-L519 PolarHBondContact O-N 2.83Å; M517-L519 VanDerWaalsContact C-N 3.31Å; M517-L519 PolarHBondContact O-N 3.25Å; L519-M521 VanDerWaalsContact C-N 3.34Å; L519-M521 PolarHBondContact O-N 3.45Å; L519-L522 WeakPolarHBondContact O-CB 3.21Å; L519-L522 PolarHBondContact O-N 2.68Å; L519-R523 PolarHBondContact O-N 3.16Å; L519-L563 HydrophobicContact CD1-CD2 4.12Å; L519-L563 HydrophobicContact CD2-CD1 4Å; L519-L563 HydrophobicContact CD2-CD2 3.89Å; L519-L563 HydrophobicContact CD2-CG 4.34Å; L519-L563 HydrophobicContact CG-CD1 4.44Å; L519-L563 HydrophobicContact CG-CD2 3.68Å; L519-M574 HydrophobicContact CD1-CB 4.26Å; L519-M574 VanDerWaalsContact CD1-O 3.32Å; L519-M574 WeakPolarHBondContact CD1-O 3.39Å; L519-M574 HydrophobicContact CD1-SD 3.75Å; L519-V577 HydrophobicContact CB-CG2 4Å; L519-V577 HydrophobicContact CD2-CB 3.96Å; L519-V577 HydrophobicContact CD2-CG2 4.24Å; L519-V577 WeakPolarHBondContact O-CG2 3.28Å; L519-L579 HydrophobicContact CD2-CD2 4.09Å
520E95.6Very high95.7Very high0 Ų013.1 Ų13.10%08%0.084CC..Hα-helixtrans-66.8-37.7178-167.158.1-150.500112.8S516 M517 L518 L522 R523 L524 R638 M639 R642S516-E520 PolarHBondContact O-N 3Å; M517-E520 WeakPolarHBondContact O-CB 3.37Å; M517-E520 PolarHBondContact O-N 3.29Å; M517-E520 VanDerWaalsContact O-N 3.15Å; L518-E520 VanDerWaalsContact C-N 3.29Å; L518-E520 PolarHBondContact O-N 2.98Å; E520-L522 VanDerWaalsContact C-N 3.3Å; E520-L522 PolarHBondContact O-N 2.76Å; E520-R523 WeakPolarHBondContact O-CB 3.44Å; E520-R523 PolarHBondContact O-N 3.19Å; E520-R523 IonicContact OE1-CZ 2.84Å; E520-R523 IonicContact OE1-NE 2.8Å; E520-R523 PolarHBondContact OE1-NE 3.07Å; E520-R523 IonicContact OE1-NH2 3.45Å; E520-R523 PolarHBondContact OE1-NH2 3.36Å; E520-R523 IonicContact OE2-CZ 2.7Å; E520-R523 IonicContact OE2-NE 2.72Å; E520-R523 PolarHBondContact OE2-NE 2.84Å; E520-R523 IonicContact OE2-NH1 2.85Å; E520-R523 IonicContact OE2-NH2 3.65Å; E520-L524 WeakPolarHBondContact O-CG 3.36Å; E520-L524 PolarHBondContact O-N 3.47Å; E520-R638 HydrophobicContact CG-CB 3.9Å; E520-R638 IonicContact OE1-CZ 3.85Å; E520-R638 IonicContact OE1-NE 2.96Å; E520-R638 PolarHBondContact OE1-NE 2.99Å; E520-R638 IonicContact OE1-NH2 3.9Å; E520-R638 PolarHBondContact OE1-NH2 2.84Å; E520-M639 HydrophobicContact CB-CG 3.94Å; E520-M639 HydrophobicContact CG-CB 4.43Å; E520-M639 HydrophobicContact CG-CG 3.72Å; E520-R642 IonicContact OE2-CZ 3.8Å; E520-R642 IonicContact OE2-NH1 2.71Å; E520-R642 PolarHBondContact OE2-NH1 2.92Å
521M95.8Very high95.7Very high10 Ų1013 Ų135%0.0498%0.083CC..Hα-helixtrans-58.2-43171.8173.2-83.9-6400111.5M517 L518 L519 R523 L524 L525 L534 F547 V548 M639M517-M521 PolarHBondContact O-N 3.13Å; L518-M521 HydrophobicContact CB-CE 4.4Å; L518-M521 HydrophobicContact CD2-CE 3.73Å; L518-M521 WeakPolarHBondContact O-CB 3.42Å; L518-M521 PolarHBondContact O-N 3.39Å; L519-M521 VanDerWaalsContact C-N 3.34Å; L519-M521 PolarHBondContact O-N 3.45Å; M521-R523 PolarHBondContact O-N 2.89Å; M521-L524 PolarHBondContact O-N 3Å; M521-L525 WeakPolarHBondContact O-CG 3.36Å; M521-L525 PolarHBondContact O-N 3.19Å; M521-L525 HydrophobicContact SD-CD1 3.61Å; M521-L525 HydrophobicContact SD-CG 4.27Å; M521-L534 HydrophobicContact CB-CD1 4.49Å; M521-L534 HydrophobicContact CB-CD2 4.21Å; M521-L534 HydrophobicContact CG-CD1 3.84Å; M521-L534 HydrophobicContact CG-CD2 3.49Å; M521-L534 VanDerWaalsContact CG-CD2 3.49Å; M521-L534 HydrophobicContact CG-CG 4.35Å; M521-F547 HydrophobicContact CB-CB 4.44Å; M521-F547 HydrophobicContact CG-CB 4.06Å; M521-V548 HydrophobicContact CG-CG2 4.09Å; M521-V548 HydrophobicContact SD-CG2 4.04Å; M521-M639 HydrophobicContact CB-SD 4.28Å
522L96.7Very high95.9Very high12 Ų1214 Ų146%0.0639%0.089CC..Hα-helixtrans-63.3-40.8175.3-67.9174000111.9L518 L519 E520 L524 L525 Q526 L563 V577 L579 L582 F619L518-L522 WeakPolarHBondContact O-CG 3.43Å; L518-L522 PolarHBondContact O-N 3.47Å; L519-L522 WeakPolarHBondContact O-CB 3.21Å; L519-L522 PolarHBondContact O-N 2.68Å; E520-L522 VanDerWaalsContact C-N 3.3Å; E520-L522 PolarHBondContact O-N 2.76Å; L522-L524 PolarHBondContact O-N 3.22Å; L522-L525 WeakPolarHBondContact O-CB 3.42Å; L522-L525 PolarHBondContact O-N 3.4Å; L522-Q526 WeakPolarHBondContact O-CG 3.34Å; L522-Q526 PolarHBondContact O-N 3.25Å; L522-L563 HydrophobicContact CD1-CD1 3.67Å; L522-V577 HydrophobicContact CB-CG1 3.88Å; L522-L579 HydrophobicContact CD1-CD2 3.97Å; L522-L582 HydrophobicContact CD1-CD2 4.08Å; L522-F619 HydrophobicContact CD2-CE1 4.27Å; L522-F619 HydrophobicContact CD2-CZ 3.95Å
523R95.1Very high96Very high19 Ų1917.5 Ų17.57%0.07211%0.105CC..Hα-helixtrans-61.2-44.1175.7-169.1170.977.815630.4111.7L519 E520 M521 L525 Q526 E527 V577 R638 E707 F708L519-R523 PolarHBondContact O-N 3.16Å; E520-R523 WeakPolarHBondContact O-CB 3.44Å; E520-R523 PolarHBondContact O-N 3.19Å; E520-R523 IonicContact OE1-CZ 2.84Å; E520-R523 IonicContact OE1-NE 2.8Å; E520-R523 PolarHBondContact OE1-NE 3.07Å; E520-R523 IonicContact OE1-NH2 3.45Å; E520-R523 PolarHBondContact OE1-NH2 3.36Å; E520-R523 IonicContact OE2-CZ 2.7Å; E520-R523 IonicContact OE2-NE 2.72Å; E520-R523 PolarHBondContact OE2-NE 2.84Å; E520-R523 IonicContact OE2-NH1 2.85Å; E520-R523 IonicContact OE2-NH2 3.65Å; M521-R523 PolarHBondContact O-N 2.89Å; R523-L525 VanDerWaalsContact C-N 3.32Å; R523-L525 PolarHBondContact O-N 3.08Å; R523-Q526 CarbonylContact O-C 3.51Å; R523-Q526 WeakPolarHBondContact O-CB 3.23Å; R523-Q526 PolarHBondContact O-N 3.4Å; R523-Q526 VanDerWaalsContact O-N 3.09Å; R523-E527 IonicContact NE-OE1 3.75Å; R523-E527 PolarHBondContact O-N 3.49Å; R523-V577 HydrophobicContact CB-CG1 4.33Å; R523-V577 HydrophobicContact CB-CG2 4.14Å; R523-R638 VanDerWaalsContact NE-NH2 3.17Å; R523-R638 VanDerWaalsContact NH2-CZ 3.29Å; R523-R638 VanDerWaalsContact NH2-NE 3.19Å; R523-E707 IonicContact NH1-OE1 3.48Å; R523-E707 PolarHBondContact NH1-OE1 3.02Å; R523-F708 VanDerWaalsContact NH1-CE2 3.28Å
524L96.3Very high96Very high0 Ų017.5 Ų17.50%011%0.105CC..Hα-helixtrans-62.6-36.3176.2-71.9168.9000112.5E520 M521 L522 Q526 E527 G528 V529 L534 R635 M639E520-L524 WeakPolarHBondContact O-CG 3.36Å; E520-L524 PolarHBondContact O-N 3.47Å; M521-L524 PolarHBondContact O-N 3Å; L522-L524 PolarHBondContact O-N 3.22Å; L524-Q526 VanDerWaalsContact C-N 3.35Å; L524-E527 PolarHBondContact O-N 3.11Å; L524-G528 PolarHBondContact O-N 2.68Å; L524-V529 HydrophobicContact CB-CB 4.45Å; L524-V529 HydrophobicContact CB-CG2 4.24Å; L524-V529 HydrophobicContact CD2-CG2 4.23Å; L524-V529 WeakPolarHBondContact O-CB 2.99Å; L524-V529 WeakPolarHBondContact O-CG2 3.39Å; L524-V529 PolarHBondContact O-N 3.4Å; L524-L534 HydrophobicContact CB-CD1 3.66Å; L524-L534 HydrophobicContact CD1-CD1 4.22Å; L524-R635 HydrophobicContact CD1-CB 4.47Å; L524-R635 HydrophobicContact CD2-CB 4.22Å; L524-R635 HydrophobicContact CD2-CG 3.83Å; L524-M639 HydrophobicContact CD1-CE 4.1Å; L524-M639 HydrophobicContact CD1-CG 3.81Å; L524-M639 HydrophobicContact CD1-SD 3.65Å
525L97Very high96Very high11 Ų1117.2 Ų17.26%0.05810%0.104CC..Hα-helixtrans-64.9-38.2172-69.4174.6000112M521 L522 R523 E527 G528 P531 L534 V548 F619M521-L525 WeakPolarHBondContact O-CG 3.36Å; M521-L525 PolarHBondContact O-N 3.19Å; M521-L525 HydrophobicContact SD-CD1 3.61Å; M521-L525 HydrophobicContact SD-CG 4.27Å; L522-L525 WeakPolarHBondContact O-CB 3.42Å; L522-L525 PolarHBondContact O-N 3.4Å; R523-L525 VanDerWaalsContact C-N 3.32Å; R523-L525 PolarHBondContact O-N 3.08Å; L525-E527 VanDerWaalsContact C-N 3.32Å; L525-G528 PolarHBondContact O-N 2.77Å; L525-G528 VanDerWaalsContact O-N 3.08Å; L525-P531 HydrophobicContact CD2-CG 3.92Å; L525-L534 HydrophobicContact CD2-CD1 4.26Å; L525-L534 HydrophobicContact CG-CD1 4.21Å; L525-V548 HydrophobicContact CD2-CG2 4.35Å; L525-F619 HydrophobicContact CB-CD1 3.6Å; L525-F619 HydrophobicContact CB-CD2 4.47Å; L525-F619 HydrophobicContact CB-CE1 3.57Å; L525-F619 HydrophobicContact CB-CE2 4.45Å; L525-F619 HydrophobicContact CB-CG 4.08Å; L525-F619 HydrophobicContact CB-CZ 4.03Å; L525-F619 HydrophobicContact CD1-CE1 4.01Å; L525-F619 HydrophobicContact CD1-CE2 3.92Å; L525-F619 HydrophobicContact CD1-CZ 3.6Å; L525-F619 HydrophobicContact CG-CE1 4.46Å; L525-F619 HydrophobicContact CG-CZ 4.48Å
526Q96.4Very high96.1Very high4 Ų423.4 Ų23.42%0.01913%0.13CC..Hα-helixtrans-69-29.6173.9-65.4-173.8-88.500112.9L522 R523 L524 G528 D578 P581 F619 Y622 A623 K624L522-Q526 WeakPolarHBondContact O-CG 3.34Å; L522-Q526 PolarHBondContact O-N 3.25Å; R523-Q526 CarbonylContact O-C 3.51Å; R523-Q526 WeakPolarHBondContact O-CB 3.23Å; R523-Q526 PolarHBondContact O-N 3.4Å; R523-Q526 VanDerWaalsContact O-N 3.09Å; L524-Q526 VanDerWaalsContact C-N 3.35Å; Q526-G528 PolarHBondContact O-N 3.16Å; Q526-D578 PolarHBondContact OE1-O 3.5Å; Q526-P581 HydrophobicContact CG-CG 4.34Å; Q526-F619 HydrophobicContact CG-CD1 3.83Å; Q526-F619 HydrophobicContact CG-CE1 4.22Å; Q526-Y622 PolarHBondContact NE2-O 3.26Å; Q526-A623 CarbonylContact O-C 3.58Å; Q526-A623 VanDerWaalsContact O-CA 3.28Å; Q526-A623 WeakPolarHBondContact O-CA 3.46Å; Q526-K624 HydrophobicContact CB-CB 4.24Å; Q526-K624 HydrophobicContact CB-CG 3.86Å; Q526-K624 PolarHBondContact O-N 2.73Å
527E96Very high96.2Very high21 Ų2123.5 Ų23.510%0.09813%0.13CC..THydrogen-bonded Turntrans-72.5-4.3170.2-74.3169.6-15100112.8R523 L524 L525 K624 V626 R638 Y702R523-E527 IonicContact NE-OE1 3.75Å; R523-E527 PolarHBondContact O-N 3.49Å; L524-E527 PolarHBondContact O-N 3.11Å; L525-E527 VanDerWaalsContact C-N 3.32Å; E527-K624 HydrophobicContact CG-CB 4.35Å; E527-V626 HydrophobicContact CB-CG2 4.12Å; E527-V626 HydrophobicContact CG-CG2 4.37Å; E527-R638 VanDerWaalsContact CD-NH2 3.33Å; E527-R638 IonicContact OE1-CZ 3.48Å; E527-R638 IonicContact OE1-NH1 2.86Å; E527-R638 IonicContact OE1-NH2 2.74Å; E527-R638 PolarHBondContact OE1-NH2 2.63Å; E527-R638 IonicContact OE2-CZ 2.89Å; E527-R638 IonicContact OE2-NH1 2.95Å; E527-R638 PolarHBondContact OE2-NH1 3.22Å; E527-R638 IonicContact OE2-NH2 2.72Å; E527-R638 PolarHBondContact OE2-NH2 3.24Å; E527-R638 VanDerWaalsContact OE2-NH2 3.17Å; E527-Y702 WeakPolarHBondContact OE1-CE1 3.46Å
528G95.3Very high96.2Very high63 Ų6323.4 Ų23.465%0.64913%0.13SC*.THydrogen-bonded Turntrans9012174.300000114.9L524 L525 Q526 D530L524-G528 PolarHBondContact O-N 2.68Å; L525-G528 PolarHBondContact O-N 2.77Å; L525-G528 VanDerWaalsContact O-N 3.08Å; Q526-G528 PolarHBondContact O-N 3.16Å; G528-D530 PolarHBondContact O-N 3.06Å
529V96.2Very high96.3Very high8 Ų825.7 Ų25.75%0.04815%0.145CC..  trans-64.9130174.2-1760000109.5L524 E533 L534L524-V529 HydrophobicContact CB-CB 4.45Å; L524-V529 HydrophobicContact CB-CG2 4.24Å; L524-V529 HydrophobicContact CD2-CG2 4.23Å; L524-V529 WeakPolarHBondContact O-CB 2.99Å; L524-V529 WeakPolarHBondContact O-CG2 3.39Å; L524-V529 PolarHBondContact O-N 3.4Å; V529-E533 HydrophobicContact CG1-CB 4.34Å; V529-E533 HydrophobicContact CG1-CG 4.36Å; V529-L534 HydrophobicContact CG1-CB 4.19Å
530D96Very high96.3Very high66 Ų6631.9 Ų31.935%0.35317%0.171SC..  trans-65.4138.6-179.3178.3-90.6000111.3G528 V532 E533 L534G528-D530 PolarHBondContact O-N 3.06Å; D530-V532 VanDerWaalsContact C-N 3.28Å; D530-V532 PolarHBondContact O-N 3.41Å; D530-V532 WeakPolarHBondContact OD1-CA 3.19Å; D530-V532 WeakPolarHBondContact OD1-CB 3.21Å; D530-V532 PolarHBondContact OD1-N 2.98Å; D530-E533 HydrophobicContact CB-CB 4.07Å; D530-E533 CarbonylContact O-C 3.55Å; D530-E533 WeakPolarHBondContact O-CA 3.36Å; D530-E533 WeakPolarHBondContact O-CB 3.33Å; D530-E533 PolarHBondContact O-N 3.03Å; D530-E533 PolarHBondContact OD1-N 2.91Å; D530-L534 PolarHBondContact O-N 3.21Å
531P97.3Very high96.3Very high0 Ų032.9 Ų32.90%018%0.176CC..Hα-helixtrans-57.2-34.7179.5-31.137.6000115.4L525 N535 V548 F600 V611 I616L525-P531 HydrophobicContact CD2-CG 3.92Å; P531-N535 WeakPolarHBondContact O-CB 3.37Å; P531-N535 VanDerWaalsContact O-CG 3.28Å; P531-N535 PolarHBondContact O-N 3.03Å; P531-V548 HydrophobicContact CB-CB 4.5Å; P531-V548 HydrophobicContact CB-CG1 4.15Å; P531-V548 HydrophobicContact CB-CG2 4.32Å; P531-F600 HydrophobicContact CB-CE1 3.88Å; P531-F600 HydrophobicContact CB-CE2 4.19Å; P531-F600 HydrophobicContact CB-CZ 3.49Å; P531-F600 VanDerWaalsContact CB-CZ 3.49Å; P531-V611 HydrophobicContact CB-CG2 4.38Å; P531-V611 HydrophobicContact CG-CG1 4.14Å; P531-V611 HydrophobicContact CG-CG2 4.45Å; P531-I616 HydrophobicContact CG-CD1 3.55Å
532V97Very high96.3Very high35 Ų3533 Ų3321%0.21218%0.18CC..Hα-helixtrans-70.2-39.7176.9-178.50000109.6D530 K536 F600 V611D530-V532 VanDerWaalsContact C-N 3.28Å; D530-V532 PolarHBondContact O-N 3.41Å; D530-V532 WeakPolarHBondContact OD1-CA 3.19Å; D530-V532 WeakPolarHBondContact OD1-CB 3.21Å; D530-V532 PolarHBondContact OD1-N 2.98Å; V532-K536 HydrophobicContact CG1-CD 4.5Å; V532-K536 VanDerWaalsContact O-CG 3.29Å; V532-K536 WeakPolarHBondContact O-CG 3.43Å; V532-K536 PolarHBondContact O-N 2.85Å; V532-F600 HydrophobicContact CG2-CE1 3.88Å; V532-V611 HydrophobicContact CG2-CG2 3.7Å
533E96.8Very high96.3Very high72 Ų7232.9 Ų32.934%0.33618%0.178SC..Hα-helixtrans-63.1-48.2173.7-171.1-176.3158.300111.5V529 D530 N535 K536 L537 R635V529-E533 HydrophobicContact CG1-CB 4.34Å; V529-E533 HydrophobicContact CG1-CG 4.36Å; D530-E533 HydrophobicContact CB-CB 4.07Å; D530-E533 CarbonylContact O-C 3.55Å; D530-E533 WeakPolarHBondContact O-CA 3.36Å; D530-E533 WeakPolarHBondContact O-CB 3.33Å; D530-E533 PolarHBondContact O-N 3.03Å; D530-E533 PolarHBondContact OD1-N 2.91Å; E533-N535 VanDerWaalsContact C-N 3.31Å; E533-N535 PolarHBondContact O-N 2.69Å; E533-K536 CarbonylContact O-C 3.58Å; E533-K536 WeakPolarHBondContact O-CA 3.49Å; E533-K536 VanDerWaalsContact O-CB 3.3Å; E533-K536 WeakPolarHBondContact O-CB 3.25Å; E533-K536 PolarHBondContact O-N 3.09Å; E533-L537 WeakPolarHBondContact O-CG 3.4Å; E533-L537 PolarHBondContact O-N 3.02Å; E533-R635 IonicContact OE1-NH1 3.24Å; E533-R635 PolarHBondContact OE1-NH1 3.32Å
534L97Very high96.1Very high0 Ų036.9 Ų36.90%021%0.207CC..Hα-helixtrans-60.4-41.9178.7-159.6156.9000111.7M521 L524 L525 V529 D530 K536 L537 S538 F547 V548 M639M521-L534 HydrophobicContact CB-CD1 4.49Å; M521-L534 HydrophobicContact CB-CD2 4.21Å; M521-L534 HydrophobicContact CG-CD1 3.84Å; M521-L534 HydrophobicContact CG-CD2 3.49Å; M521-L534 VanDerWaalsContact CG-CD2 3.49Å; M521-L534 HydrophobicContact CG-CG 4.35Å; L524-L534 HydrophobicContact CB-CD1 3.66Å; L524-L534 HydrophobicContact CD1-CD1 4.22Å; L525-L534 HydrophobicContact CD2-CD1 4.26Å; L525-L534 HydrophobicContact CG-CD1 4.21Å; V529-L534 HydrophobicContact CG1-CB 4.19Å; D530-L534 PolarHBondContact O-N 3.21Å; L534-K536 VanDerWaalsContact C-N 3.32Å; L534-K536 PolarHBondContact O-N 3.04Å; L534-L537 WeakPolarHBondContact O-CB 3.25Å; L534-L537 PolarHBondContact O-N 3.16Å; L534-S538 PolarHBondContact O-N 3.37Å; L534-S538 VanDerWaalsContact O-N 3.08Å; L534-F547 HydrophobicContact CD2-CB 4.08Å; L534-V548 HydrophobicContact CB-CG2 4.01Å; L534-V548 HydrophobicContact CD1-CG2 4.23Å; L534-V548 HydrophobicContact CD2-CG2 3.79Å; L534-V548 HydrophobicContact CG-CG2 4.22Å; L534-M639 HydrophobicContact CD2-CE 4.46Å; L534-M639 HydrophobicContact CD2-SD 4.01Å
535N96.7Very high95.9Very high19 Ų1940.5 Ų40.510%0.10223%0.225CC..Hα-helixtrans-62.7-36.9172.4-79.5-10.6000112.9P531 E533 S538 T539 G546 F547 V548 T549 F600P531-N535 WeakPolarHBondContact O-CB 3.37Å; P531-N535 VanDerWaalsContact O-CG 3.28Å; P531-N535 PolarHBondContact O-N 3.03Å; E533-N535 VanDerWaalsContact C-N 3.31Å; E533-N535 PolarHBondContact O-N 2.69Å; N535-S538 PolarHBondContact O-OG 3.39Å; N535-T539 WeakPolarHBondContact O-CB 3.39Å; N535-T539 WeakPolarHBondContact O-CG2 3.37Å; N535-T539 PolarHBondContact O-N 2.83Å; N535-T539 PolarHBondContact O-OG1 3.17Å; N535-G546 VanDerWaalsContact CG-CA 3.43Å; N535-G546 WeakPolarHBondContact OD1-CA 3.38Å; N535-F547 PolarHBondContact OD1-N 2.94Å; N535-V548 WeakPolarHBondContact OD1-CB 3.21Å; N535-V548 PolarHBondContact OD1-N 3.44Å; N535-T549 PolarHBondContact ND2-OG1 3.24Å; N535-T549 PolarHBondContact OD1-N 3.22Å; N535-F600 VanDerWaalsContact ND2-CE2 3.27Å; N535-F600 WeakPolarHBondContact ND2-CE2 3.49Å; N535-F600 WeakPolarHBondContact ND2-CZ 3.4Å
536K96.2Very high95.8Very high136 Ų13640.3 Ų40.359%0.59123%0.225SC*.Hα-helixtrans-65.3-39.9173.3-74.9169-180173.90111V532 E533 L534 T539 K540V532-K536 HydrophobicContact CG1-CD 4.5Å; V532-K536 VanDerWaalsContact O-CG 3.29Å; V532-K536 WeakPolarHBondContact O-CG 3.43Å; V532-K536 PolarHBondContact O-N 2.85Å; E533-K536 CarbonylContact O-C 3.58Å; E533-K536 WeakPolarHBondContact O-CA 3.49Å; E533-K536 VanDerWaalsContact O-CB 3.3Å; E533-K536 WeakPolarHBondContact O-CB 3.25Å; E533-K536 PolarHBondContact O-N 3.09Å; L534-K536 VanDerWaalsContact C-N 3.32Å; L534-K536 PolarHBondContact O-N 3.04Å; K536-T539 WeakPolarHBondContact CA-OG1 3.13Å; K536-T539 PolarHBondContact O-N 3.42Å; K536-T539 PolarHBondContact O-OG1 3.13Å; K536-K540 WeakPolarHBondContact O-CB 3.39Å; K536-K540 PolarHBondContact O-N 3.1Å
537L97.4Very high95.7Very high4 Ų440.2 Ų40.22%0.02123%0.225CC..Hα-helixtrans-59.5-48.9176.2-66.2176.1000111.1E533 L534 F541 D632 R635 Q636E533-L537 WeakPolarHBondContact O-CG 3.4Å; E533-L537 PolarHBondContact O-N 3.02Å; L534-L537 WeakPolarHBondContact O-CB 3.25Å; L534-L537 PolarHBondContact O-N 3.16Å; L537-F541 PolarHBondContact O-N 2.52Å; L537-D632 HydrophobicContact CD2-CB 3.72Å; L537-R635 HydrophobicContact CD1-CB 3.82Å; L537-Q636 HydrophobicContact CB-CG 3.96Å; L537-Q636 HydrophobicContact CD2-CG 4.3Å; L537-Q636 PolarHBondContact O-NE2 2.64Å
538S96.2Very high95.8Very high1 Ų139.4 Ų39.41%0.00722%0.221CC..Hα-helixtrans-69-39.5-179.973.90000112.8L534 N535 F541 G542 F543 M545 G546 F547L534-S538 PolarHBondContact O-N 3.37Å; L534-S538 VanDerWaalsContact O-N 3.08Å; N535-S538 PolarHBondContact O-OG 3.39Å; S538-F541 WeakPolarHBondContact O-CB 3.38Å; S538-F541 PolarHBondContact O-N 3.01Å; S538-G542 PolarHBondContact O-N 3.3Å; S538-F543 WeakPolarHBondContact O-CB 3.02Å; S538-F543 PolarHBondContact O-N 3.3Å; S538-F543 VanDerWaalsContact O-N 3.08Å; S538-M545 PolarHBondContact OG-O 2.98Å; S538-G546 VanDerWaalsContact OG-CA 3.25Å; S538-G546 WeakPolarHBondContact OG-CA 3.23Å; S538-F547 VanDerWaalsContact CB-CE2 3.5Å; S538-F547 PolarHBondContact OG-N 3.18Å
539T95.3Very high95.8Very high58 Ų5837.5 Ų37.536%0.35620%0.197SC..Hα-helixtrans-71.6-36.1178.952.30000113.1N535 K536 F541 G542 F543N535-T539 WeakPolarHBondContact O-CB 3.39Å; N535-T539 WeakPolarHBondContact O-CG2 3.37Å; N535-T539 PolarHBondContact O-N 2.83Å; N535-T539 PolarHBondContact O-OG1 3.17Å; K536-T539 WeakPolarHBondContact CA-OG1 3.13Å; K536-T539 PolarHBondContact O-N 3.42Å; K536-T539 PolarHBondContact O-OG1 3.13Å; T539-F541 VanDerWaalsContact C-N 3.27Å; T539-F541 PolarHBondContact O-N 2.83Å; T539-G542 WeakPolarHBondContact O-CA 3.4Å; T539-G542 PolarHBondContact O-N 3.21Å; T539-F543 WeakPolarHBondContact CA-O 3.5Å
540K95.5Very high95.7Very high130 Ų13039 Ų3957%0.56521%0.205SC*.Hα-helixtrans-68.2-25.8172-175.2-175.8175.8-169.70112.4H260 K536 G542 D632H260-K540 PolarHBondContact CE1-O 3.3Å; H260-K540 PolarHBondContact NE2-O 3.3Å; K536-K540 WeakPolarHBondContact O-CB 3.39Å; K536-K540 PolarHBondContact O-N 3.1Å; K540-G542 VanDerWaalsContact C-N 3.27Å; K540-D632 IonicContact NZ-OD2 2.82Å
541F96Very high95.6Very high22 Ų2235.9 Ų35.910%0.09619%0.188CC..Hα-helixtrans-71.5-27.3170.4-168.1-89000111.5L537 S538 T539 F543 Q636 M637 V640 P673 M676 F682L537-F541 PolarHBondContact O-N 2.52Å; S538-F541 WeakPolarHBondContact O-CB 3.38Å; S538-F541 PolarHBondContact O-N 3.01Å; T539-F541 VanDerWaalsContact C-N 3.27Å; T539-F541 PolarHBondContact O-N 2.83Å; F541-F543 HydrophobicContact CB-CD2 4.39Å; F541-F543 AromaticContact CD1-CD2 3.9Å; F541-F543 HydrophobicContact CD1-CD2 3.9Å; F541-F543 AromaticContact CD1-CE2 3.57Å; F541-F543 HydrophobicContact CD1-CE2 3.57Å; F541-F543 HydrophobicContact CE1-CE2 4.11Å; F541-F543 HydrophobicContact CG-CE2 4.43Å; F541-Q636 HydrophobicContact CB-CG 4.48Å; F541-Q636 HydrophobicContact CD2-CB 4.04Å; F541-Q636 HydrophobicContact CD2-CG 4.4Å; F541-M637 HydrophobicContact CE2-SD 3.97Å; F541-V640 HydrophobicContact CD1-CG2 3.98Å; F541-V640 HydrophobicContact CD2-CG2 4.23Å; F541-V640 HydrophobicContact CE1-CG1 4.12Å; F541-V640 HydrophobicContact CE1-CG2 3.7Å; F541-V640 HydrophobicContact CE2-CG2 3.97Å; F541-V640 HydrophobicContact CG-CG2 4.24Å; F541-V640 HydrophobicContact CZ-CB 4.23Å; F541-V640 HydrophobicContact CZ-CG1 3.79Å; F541-V640 HydrophobicContact CZ-CG2 3.71Å; F541-P673 HydrophobicContact CD1-CG 4.08Å; F541-P673 HydrophobicContact CE1-CG 4.32Å; F541-M676 HydrophobicContact CD1-CE 4.27Å; F541-M676 HydrophobicContact CD1-SD 4.4Å; F541-M676 HydrophobicContact CE1-CE 3.75Å; F541-M676 HydrophobicContact CE1-SD 3.62Å; F541-M676 HydrophobicContact CZ-CE 3.88Å; F541-M676 HydrophobicContact CZ-SD 4.08Å; F541-F682 HydrophobicContact CZ-CE2 4.23Å; F541-F682 HydrophobicContact CZ-CZ 4.29Å
542G95.9Very high95.5Very high12 Ų1236 Ų3612%0.12419%0.189CC..THydrogen-bonded Turntrans1250.1176.100000115S538 T539 K540S538-G542 PolarHBondContact O-N 3.3Å; T539-G542 WeakPolarHBondContact O-CA 3.4Å; T539-G542 PolarHBondContact O-N 3.21Å; K540-G542 VanDerWaalsContact C-N 3.27Å
543F96.1Very high95.2Very high9 Ų938 Ų384%0.03920%0.196CC..  trans-68140.4176.7-73.3-92.8000110.2S538 T539 F541 M545 F547 V640 G671 F672 P673S538-F543 WeakPolarHBondContact O-CB 3.02Å; S538-F543 PolarHBondContact O-N 3.3Å; S538-F543 VanDerWaalsContact O-N 3.08Å; T539-F543 WeakPolarHBondContact CA-O 3.5Å; F541-F543 HydrophobicContact CB-CD2 4.39Å; F541-F543 AromaticContact CD1-CD2 3.9Å; F541-F543 HydrophobicContact CD1-CD2 3.9Å; F541-F543 AromaticContact CD1-CE2 3.57Å; F541-F543 HydrophobicContact CD1-CE2 3.57Å; F541-F543 HydrophobicContact CE1-CE2 4.11Å; F541-F543 HydrophobicContact CG-CE2 4.43Å; F543-M545 PolarHBondContact O-N 3.43Å; F543-M545 VanDerWaalsContact O-N 3.13Å; F543-F547 HydrophobicContact CB-CE1 3.93Å; F543-F547 HydrophobicContact CB-CZ 4.43Å; F543-F547 AromaticContact CD1-CE1 3.55Å; F543-F547 HydrophobicContact CD1-CE1 3.55Å; F543-F547 AromaticContact CD1-CZ 3.9Å; F543-F547 HydrophobicContact CD1-CZ 3.9Å; F543-F547 AromaticContact CD2-CE1 3.8Å; F543-F547 HydrophobicContact CD2-CE1 3.8Å; F543-F547 AromaticContact CD2-CZ 3.46Å; F543-F547 HydrophobicContact CD2-CZ 3.46Å; F543-F547 VanDerWaalsContact CD2-CZ 3.46Å; F543-F547 AromaticContact CE1-CE1 3.91Å; F543-F547 HydrophobicContact CE1-CE1 3.91Å; F543-F547 AromaticContact CE1-CZ 3.91Å; F543-F547 HydrophobicContact CE1-CZ 3.91Å; F543-F547 HydrophobicContact CE2-CE1 4.17Å; F543-F547 AromaticContact CE2-CZ 3.51Å; F543-F547 HydrophobicContact CE2-CZ 3.51Å; F543-F547 AromaticContact CG-CE1 3.47Å; F543-F547 HydrophobicContact CG-CE1 3.47Å; F543-F547 VanDerWaalsContact CG-CE1 3.47Å; F543-F547 AromaticContact CG-CZ 3.66Å; F543-F547 HydrophobicContact CG-CZ 3.66Å; F543-F547 HydrophobicContact CZ-CE1 4.21Å; F543-F547 AromaticContact CZ-CZ 3.73Å; F543-F547 HydrophobicContact CZ-CZ 3.73Å; F543-V640 HydrophobicContact CE2-CG2 4.07Å; F543-G671 VanDerWaalsContact CD1-O 3.31Å; F543-G671 WeakPolarHBondContact CD1-O 3.19Å; F543-F672 HydrophobicContact CE1-CD2 4.2Å; F543-F672 AromaticContact CZ-CD2 3.97Å; F543-F672 HydrophobicContact CZ-CD2 3.97Å; F543-F672 HydrophobicContact CZ-CE2 4.3Å; F543-P673 HydrophobicContact CD2-CG 4.09Å; F543-P673 HydrophobicContact CE2-CG 4.16Å; F543-P673 HydrophobicContact CG-CG 4.33Å; F543-P673 HydrophobicContact CZ-CG 4.49Å
544P92.5Very high94.9Very high104 Ų10437.5 Ų37.568%0.67520%0.198SC*.SBendtrans-69.7-14-17528.9-35.8000113.3G671P544-G671 WeakPolarHBondContact CD-O 3.5Å
545M91.1Very high94.6Very high76 Ų7637.5 Ų37.537%0.37420%0.198SC..SBendtrans-140.9147.6-179.5-168.2176.7-68.900111S538 F543 T549 L550 E553S538-M545 PolarHBondContact OG-O 2.98Å; F543-M545 PolarHBondContact O-N 3.43Å; F543-M545 VanDerWaalsContact O-N 3.13Å; M545-T549 HydrophobicContact CG-CG2 3.97Å; M545-T549 HydrophobicContact SD-CG2 3.78Å; M545-L550 HydrophobicContact SD-CB 4.27Å; M545-L550 HydrophobicContact SD-CD1 4.43Å; M545-E553 HydrophobicContact CE-CG 4.33Å; M545-E553 HydrophobicContact SD-CG 3.91Å
546G94.4Very high94.6Very high6 Ų637.2 Ų37.26%0.06220%0.196CC..  trans-60134.4167.900000112N535 S538 V548 T549 L550N535-G546 VanDerWaalsContact CG-CA 3.43Å; N535-G546 WeakPolarHBondContact OD1-CA 3.38Å; S538-G546 VanDerWaalsContact OG-CA 3.25Å; S538-G546 WeakPolarHBondContact OG-CA 3.23Å; G546-V548 VanDerWaalsContact C-N 3.33Å; G546-V548 PolarHBondContact O-N 3.4Å; G546-T549 CarbonylContact O-C 3.41Å; G546-T549 WeakPolarHBondContact O-CB 3.47Å; G546-T549 PolarHBondContact O-N 3.41Å; G546-T549 VanDerWaalsContact O-N 3.14Å; G546-L550 PolarHBondContact O-N 3.13Å
547F95.9Very high94.4Very high2 Ų233.1 Ų33.11%0.00918%0.181CC..Hα-helixtrans-66.1-31.8-176.9-64.4-24.5000114.4M517 M521 L534 N535 S538 F543 T549 L550 G551 M639M517-F547 HydrophobicContact CE-CB 4.39Å; M517-F547 HydrophobicContact CE-CD1 3.52Å; M517-F547 HydrophobicContact CE-CD2 4.03Å; M517-F547 HydrophobicContact CE-CE1 3.62Å; M517-F547 HydrophobicContact CE-CE2 4.13Å; M517-F547 HydrophobicContact CE-CG 3.73Å; M517-F547 HydrophobicContact CE-CZ 3.93Å; M517-F547 HydrophobicContact CG-CD2 4.25Å; M517-F547 HydrophobicContact CG-CE2 3.85Å; M517-F547 HydrophobicContact CG-CZ 4.11Å; M517-F547 HydrophobicContact SD-CD1 3.95Å; M517-F547 HydrophobicContact SD-CD2 4.03Å; M517-F547 HydrophobicContact SD-CE1 3.42Å; M517-F547 WeakPolarHBondContact SD-CE1 3.44Å; M517-F547 HydrophobicContact SD-CE2 3.52Å; M517-F547 VanDerWaalsContact SD-CE2 3.52Å; M517-F547 HydrophobicContact SD-CG 4.23Å; M517-F547 HydrophobicContact SD-CZ 3.17Å; M517-F547 WeakPolarHBondContact SD-CZ 3.33Å; M521-F547 HydrophobicContact CB-CB 4.44Å; M521-F547 HydrophobicContact CG-CB 4.06Å; L534-F547 HydrophobicContact CD2-CB 4.08Å; N535-F547 PolarHBondContact OD1-N 2.94Å; S538-F547 VanDerWaalsContact CB-CE2 3.5Å; S538-F547 PolarHBondContact OG-N 3.18Å; F543-F547 HydrophobicContact CB-CE1 3.93Å; F543-F547 HydrophobicContact CB-CZ 4.43Å; F543-F547 AromaticContact CD1-CE1 3.55Å; F543-F547 HydrophobicContact CD1-CE1 3.55Å; F543-F547 AromaticContact CD1-CZ 3.9Å; F543-F547 HydrophobicContact CD1-CZ 3.9Å; F543-F547 AromaticContact CD2-CE1 3.8Å; F543-F547 HydrophobicContact CD2-CE1 3.8Å; F543-F547 AromaticContact CD2-CZ 3.46Å; F543-F547 HydrophobicContact CD2-CZ 3.46Å; F543-F547 VanDerWaalsContact CD2-CZ 3.46Å; F543-F547 AromaticContact CE1-CE1 3.91Å; F543-F547 HydrophobicContact CE1-CE1 3.91Å; F543-F547 AromaticContact CE1-CZ 3.91Å; F543-F547 HydrophobicContact CE1-CZ 3.91Å; F543-F547 HydrophobicContact CE2-CE1 4.17Å; F543-F547 AromaticContact CE2-CZ 3.51Å; F543-F547 HydrophobicContact CE2-CZ 3.51Å; F543-F547 AromaticContact CG-CE1 3.47Å; F543-F547 HydrophobicContact CG-CE1 3.47Å; F543-F547 VanDerWaalsContact CG-CE1 3.47Å; F543-F547 AromaticContact CG-CZ 3.66Å; F543-F547 HydrophobicContact CG-CZ 3.66Å; F543-F547 HydrophobicContact CZ-CE1 4.21Å; F543-F547 AromaticContact CZ-CZ 3.73Å; F543-F547 HydrophobicContact CZ-CZ 3.73Å; F547-T549 VanDerWaalsContact C-N 3.35Å; F547-L550 WeakPolarHBondContact O-CB 3.26Å; F547-L550 PolarHBondContact O-N 3.31Å; F547-G551 PolarHBondContact O-N 3.44Å; F547-M639 HydrophobicContact CD2-CE 4.05Å; F547-M639 HydrophobicContact CD2-SD 3.49Å; F547-M639 WeakPolarHBondContact CD2-SD 3.4Å; F547-M639 HydrophobicContact CE2-CB 4.12Å; F547-M639 HydrophobicContact CE2-CE 4.02Å; F547-M639 HydrophobicContact CE2-SD 3.8Å
548V97Very high94.1Very high4 Ų435.7 Ų35.72%0.02420%0.197CC..Hα-helixtrans-67.3-42.8173.4-171.40000109.9M521 L525 P531 L534 N535 G546 L550 G551 D552 A599 F600M521-V548 HydrophobicContact CG-CG2 4.09Å; M521-V548 HydrophobicContact SD-CG2 4.04Å; L525-V548 HydrophobicContact CD2-CG2 4.35Å; P531-V548 HydrophobicContact CB-CB 4.5Å; P531-V548 HydrophobicContact CB-CG1 4.15Å; P531-V548 HydrophobicContact CB-CG2 4.32Å; L534-V548 HydrophobicContact CB-CG2 4.01Å; L534-V548 HydrophobicContact CD1-CG2 4.23Å; L534-V548 HydrophobicContact CD2-CG2 3.79Å; L534-V548 HydrophobicContact CG-CG2 4.22Å; N535-V548 WeakPolarHBondContact OD1-CB 3.21Å; N535-V548 PolarHBondContact OD1-N 3.44Å; G546-V548 VanDerWaalsContact C-N 3.33Å; G546-V548 PolarHBondContact O-N 3.4Å; V548-L550 VanDerWaalsContact C-N 3.29Å; V548-L550 PolarHBondContact O-N 3.45Å; V548-G551 PolarHBondContact O-N 2.98Å; V548-D552 PolarHBondContact O-N 2.7Å; V548-D552 VanDerWaalsContact O-N 3.12Å; V548-A599 HydrophobicContact CG1-CB 3.23Å; V548-F600 HydrophobicContact CB-CE2 3.88Å; V548-F600 HydrophobicContact CB-CZ 4.46Å; V548-F600 HydrophobicContact CG1-CD2 4.38Å; V548-F600 HydrophobicContact CG1-CE2 3.73Å; V548-F600 HydrophobicContact CG1-CZ 4.45Å
549T95.4Very high93.9Very high24 Ų2436.2 Ų36.215%0.14720%0.201CC..Hα-helixtrans-61.8-39.9174.1-590000111.1N535 M545 G546 F547 G551 D552 E553N535-T549 PolarHBondContact ND2-OG1 3.24Å; N535-T549 PolarHBondContact OD1-N 3.22Å; M545-T549 HydrophobicContact CG-CG2 3.97Å; M545-T549 HydrophobicContact SD-CG2 3.78Å; G546-T549 CarbonylContact O-C 3.41Å; G546-T549 WeakPolarHBondContact O-CB 3.47Å; G546-T549 PolarHBondContact O-N 3.41Å; G546-T549 VanDerWaalsContact O-N 3.14Å; F547-T549 VanDerWaalsContact C-N 3.35Å; T549-G551 VanDerWaalsContact C-N 3.33Å; T549-G551 PolarHBondContact O-N 2.77Å; T549-D552 PolarHBondContact O-N 2.86Å; T549-E553 HydrophobicContact CG2-CG 4.19Å; T549-E553 VanDerWaalsContact O-CG 3.26Å; T549-E553 WeakPolarHBondContact O-CG 3.46Å; T549-E553 PolarHBondContact O-N 3Å
550L94.1Very high93.9Very high39 Ų3933.9 Ų33.920%0.20419%0.186CC..Hα-helixtrans-60-43.7177-179.961000111.4L514 M517 M545 G546 F547 V548 D552 E553 V554L514-L550 HydrophobicContact CD1-CD2 3.82Å; M517-L550 HydrophobicContact CE-CD2 4.4Å; M545-L550 HydrophobicContact SD-CB 4.27Å; M545-L550 HydrophobicContact SD-CD1 4.43Å; G546-L550 PolarHBondContact O-N 3.13Å; F547-L550 WeakPolarHBondContact O-CB 3.26Å; F547-L550 PolarHBondContact O-N 3.31Å; V548-L550 VanDerWaalsContact C-N 3.29Å; V548-L550 PolarHBondContact O-N 3.45Å; L550-D552 PolarHBondContact O-N 3.42Å; L550-E553 PolarHBondContact O-N 3.17Å; L550-V554 HydrophobicContact CD1-CG2 4.33Å; L550-V554 WeakPolarHBondContact O-CG2 3.22Å; L550-V554 PolarHBondContact O-N 3.47Å
551G94Very high93.8Very high1 Ų132.5 Ų32.51%0.0118%0.181CC..Hα-helixtrans-57.2-46.7173.200000112.5F547 V548 T549 E553 V554 G555F547-G551 PolarHBondContact O-N 3.44Å; V548-G551 PolarHBondContact O-N 2.98Å; T549-G551 VanDerWaalsContact C-N 3.33Å; T549-G551 PolarHBondContact O-N 2.77Å; G551-E553 VanDerWaalsContact C-N 3.31Å; G551-E553 PolarHBondContact O-N 3.42Å; G551-V554 PolarHBondContact O-N 3.24Å; G551-G555 PolarHBondContact O-N 3.02Å
552D94.9Very high93.5Very high2 Ų232.3 Ų32.31%0.01118%0.181CC..Hα-helixtrans-66.3-28.2177.1-79.9-5000113.4V548 T549 L550 G592 R593 G598 A599 F600 Y602V548-D552 PolarHBondContact O-N 2.7Å; V548-D552 VanDerWaalsContact O-N 3.12Å; T549-D552 PolarHBondContact O-N 2.86Å; L550-D552 PolarHBondContact O-N 3.42Å; D552-G592 CarbonylContact O-C 3.42Å; D552-G592 WeakPolarHBondContact O-CA 3.4Å; D552-R593 PolarHBondContact O-N 2.94Å; D552-G598 WeakPolarHBondContact OD1-CA 3.37Å; D552-A599 PolarHBondContact OD1-N 2.94Å; D552-A599 PolarHBondContact OD2-N 3.49Å; D552-F600 PolarHBondContact OD2-N 3.26Å; D552-Y602 HydrophobicContact CB-CE2 3.81Å; D552-Y602 WeakPolarHBondContact CB-OH 3.25Å; D552-Y602 WeakPolarHBondContact OD2-CE2 3.37Å; D552-Y602 PolarHBondContact OD2-OH 3.45Å
553E91.3Very high93.5Very high76 Ų7631.9 Ų31.936%0.35518%0.176SC..Hα-helixtrans-77.8-37175.8-66.2-73.1173.900112.1M545 T549 L550 G551 R593M545-E553 HydrophobicContact CE-CG 4.33Å; M545-E553 HydrophobicContact SD-CG 3.91Å; T549-E553 HydrophobicContact CG2-CG 4.19Å; T549-E553 VanDerWaalsContact O-CG 3.26Å; T549-E553 WeakPolarHBondContact O-CG 3.46Å; T549-E553 PolarHBondContact O-N 3Å; L550-E553 PolarHBondContact O-N 3.17Å; G551-E553 VanDerWaalsContact C-N 3.31Å; G551-E553 PolarHBondContact O-N 3.42Å; E553-R593 IonicContact OE1-CZ 3.88Å; E553-R593 IonicContact OE1-NE 2.69Å; E553-R593 PolarHBondContact OE1-NE 2.59Å; E553-R593 IonicContact OE1-NH2 3.25Å; E553-R593 PolarHBondContact OE1-NH2 3.15Å; E553-R593 WeakPolarHBondContact OE2-CD 3.3Å; E553-R593 IonicContact OE2-NE 2.67Å; E553-R593 PolarHBondContact OE2-NE 2.86Å
554V89.5Confident93.4Very high62 Ų6236 Ų3638%0.37619%0.193SC..Hα-helixtrans-68.1-41.6175.1169.70000110.9L550 G551 V558L550-V554 HydrophobicContact CD1-CG2 4.33Å; L550-V554 WeakPolarHBondContact O-CG2 3.22Å; L550-V554 PolarHBondContact O-N 3.47Å; G551-V554 PolarHBondContact O-N 3.24Å; V554-V558 HydrophobicContact CG1-CG1 4.42Å
555G91.4Very high93.3Very high1 Ų133.3 Ų33.31%0.0117%0.17CC..  trans107.6120-175.400000111.3G551 D557 V558 S559 L591G551-G555 PolarHBondContact O-N 3.02Å; G555-D557 VanDerWaalsContact C-N 3.29Å; G555-D557 PolarHBondContact O-N 3.39Å; G555-V558 WeakPolarHBondContact O-CB 3.47Å; G555-V558 PolarHBondContact O-N 3.15Å; G555-V558 VanDerWaalsContact O-N 3.11Å; G555-S559 PolarHBondContact O-N 3.46Å; G555-S559 PolarHBondContact O-OG 2.89Å; G555-L591 WeakPolarHBondContact CA-O 3.25Å
556L95.7Very high93.3Very high13 Ų1329.7 Ų29.77%0.06815%0.152CC..Hα-helixtrans-67.8-27-170.7-63.9-168000114L560 L582 M585 V586 M590 L591L556-L560 VanDerWaalsContact O-CB 3.22Å; L556-L560 WeakPolarHBondContact O-CB 3.5Å; L556-L560 PolarHBondContact O-N 3.14Å; L556-L582 HydrophobicContact CB-CD1 3.75Å; L556-L582 HydrophobicContact CD1-CD1 4.01Å; L556-L582 HydrophobicContact CD2-CD1 4.02Å; L556-L582 HydrophobicContact CG-CD1 4.14Å; L556-M585 HydrophobicContact CD1-CB 4.49Å; L556-M585 HydrophobicContact CD1-CE 3.47Å; L556-M585 VanDerWaalsContact CD1-CE 3.47Å; L556-M585 HydrophobicContact CD1-SD 4.18Å; L556-V586 HydrophobicContact CB-CG2 4.27Å; L556-M590 WeakPolarHBondContact CD1-O 3.47Å; L556-L591 PolarHBondContact N-O 2.76Å
557D94Very high93.3Very high49 Ų4929.8 Ų29.826%0.26215%0.154SC..Hα-helixtrans-67.1-43.7170.955.3-35.3000112.2G555 L560 H561 V586 L591 K594G555-D557 VanDerWaalsContact C-N 3.29Å; G555-D557 PolarHBondContact O-N 3.39Å; D557-L560 PolarHBondContact O-N 3.29Å; D557-H561 PolarHBondContact O-N 3.22Å; D557-V586 HydrophobicContact CB-CG1 4.03Å; D557-V586 HydrophobicContact CB-CG2 4.15Å; D557-L591 HydrophobicContact CB-CD2 4.01Å; D557-K594 WeakPolarHBondContact OD1-CE 3.43Å; D557-K594 IonicContact OD1-NZ 3.17Å; D557-K594 PolarHBondContact OD1-NZ 3.35Å; D557-K594 IonicContact OD2-NZ 2.83Å; D557-K594 PolarHBondContact OD2-NZ 2.85Å
558V89.9Confident93.2Very high59 Ų5936.7 Ų36.736%0.35819%0.186SC..Hα-helixtrans-64.5-46.6175.9-179.90000109.5V554 G555 L560 H561 I562V554-V558 HydrophobicContact CG1-CG1 4.42Å; G555-V558 WeakPolarHBondContact O-CB 3.47Å; G555-V558 PolarHBondContact O-N 3.15Å; G555-V558 VanDerWaalsContact O-N 3.11Å; V558-L560 PolarHBondContact O-N 2.68Å; V558-H561 PolarHBondContact O-N 3.46Å; V558-I562 HydrophobicContact CG1-CD1 3.86Å; V558-I562 VanDerWaalsContact O-CG1 3.31Å; V558-I562 WeakPolarHBondContact O-CG1 3.39Å; V558-I562 PolarHBondContact O-N 3.22Å
559S92.9Very high92.9Very high12 Ų1241.1 Ų41.18%0.08421%0.207CC..Hα-helixtrans-57.3-47.7174.5-59.10000111.5G555 H561 I562 L563G555-S559 PolarHBondContact O-N 3.46Å; G555-S559 PolarHBondContact O-OG 2.89Å; S559-H561 PolarHBondContact O-N 3.4Å; S559-I562 PolarHBondContact O-N 3.43Å; S559-L563 WeakPolarHBondContact O-CB 3.36Å; S559-L563 WeakPolarHBondContact O-CG 3.46Å; S559-L563 PolarHBondContact O-N 3.13Å
560L95.6Very high92.7Very high8 Ų841.9 Ų41.94%0.04221%0.208CC..Hα-helixtrans-59.8-44.5-180-179.162.2000112.5L556 D557 V558 L563 K564 L579 L582 Q583 V586L556-L560 VanDerWaalsContact O-CB 3.22Å; L556-L560 WeakPolarHBondContact O-CB 3.5Å; L556-L560 PolarHBondContact O-N 3.14Å; D557-L560 PolarHBondContact O-N 3.29Å; V558-L560 PolarHBondContact O-N 2.68Å; L560-L563 PolarHBondContact O-N 2.73Å; L560-K564 HydrophobicContact CD1-CD 4.48Å; L560-K564 HydrophobicContact CD1-CG 4.39Å; L560-K564 WeakPolarHBondContact O-CG 3.21Å; L560-K564 PolarHBondContact O-N 2.94Å; L560-L579 HydrophobicContact CD1-CB 3.98Å; L560-L579 HydrophobicContact CD1-CD1 4.29Å; L560-L582 HydrophobicContact CB-CD2 3.81Å; L560-L582 HydrophobicContact CB-CG 4.07Å; L560-L582 HydrophobicContact CD1-CB 4.26Å; L560-L582 HydrophobicContact CD1-CD2 3.88Å; L560-L582 HydrophobicContact CD1-CG 4.07Å; L560-L582 HydrophobicContact CG-CD2 4.43Å; L560-Q583 HydrophobicContact CD2-CB 4.16Å; L560-V586 HydrophobicContact CB-CG2 4.4Å; L560-V586 HydrophobicContact CD2-CB 4.1Å; L560-V586 HydrophobicContact CD2-CG1 4.4Å; L560-V586 HydrophobicContact CD2-CG2 3.84Å
561H91.5Very high92.7Very high102 Ų10241.5 Ų41.547%0.47221%0.213SC..Hα-helixtrans-59.9-49177.2176.5-93.1000111.5D557 V558 S559 K564 Y565D557-H561 PolarHBondContact O-N 3.22Å; V558-H561 PolarHBondContact O-N 3.46Å; S559-H561 PolarHBondContact O-N 3.4Å; H561-K564 PolarHBondContact O-N 3.39Å; H561-Y565 PolarHBondContact O-N 3.44Å; H561-Y565 VanDerWaalsContact O-N 3.1Å
562I91.3Very high92.5Very high17 Ų1749.4 Ų49.49%0.08724%0.243CC..Hα-helixtrans-61.5-47.5178.7-67.2171.5000110.8A441 T511 V558 S559 K564 Y565 L566A441-I562 HydrophobicContact CB-CG1 4.12Å; T511-I562 HydrophobicContact CG2-CD1 4.11Å; T511-I562 HydrophobicContact CG2-CG2 3.46Å; T511-I562 VanDerWaalsContact CG2-CG2 3.46Å; V558-I562 HydrophobicContact CG1-CD1 3.86Å; V558-I562 VanDerWaalsContact O-CG1 3.31Å; V558-I562 WeakPolarHBondContact O-CG1 3.39Å; V558-I562 PolarHBondContact O-N 3.22Å; S559-I562 PolarHBondContact O-N 3.43Å; I562-K564 PolarHBondContact O-N 3.45Å; I562-Y565 PolarHBondContact O-N 3.25Å; I562-L566 HydrophobicContact CG2-CD1 3.77Å; I562-L566 HydrophobicContact CG2-CG 4.21Å; I562-L566 WeakPolarHBondContact O-CG 3.32Å; I562-L566 PolarHBondContact O-N 3.12Å
563L94.3Very high92.3Very high4 Ų451.8 Ų51.82%0.02125%0.252CS..Hα-helixtrans-64.7-39.3-177.2-69-178.7000112.3L519 L522 S559 L560 G567 L579 L582L519-L563 HydrophobicContact CD1-CD2 4.12Å; L519-L563 HydrophobicContact CD2-CD1 4Å; L519-L563 HydrophobicContact CD2-CD2 3.89Å; L519-L563 HydrophobicContact CD2-CG 4.34Å; L519-L563 HydrophobicContact CG-CD1 4.44Å; L519-L563 HydrophobicContact CG-CD2 3.68Å; L522-L563 HydrophobicContact CD1-CD1 3.67Å; S559-L563 WeakPolarHBondContact O-CB 3.36Å; S559-L563 WeakPolarHBondContact O-CG 3.46Å; S559-L563 PolarHBondContact O-N 3.13Å; L560-L563 PolarHBondContact O-N 2.73Å; L563-G567 PolarHBondContact O-N 3.16Å; L563-L579 HydrophobicContact CB-CD1 3.93Å; L563-L579 HydrophobicContact CB-CD2 4.32Å; L563-L579 HydrophobicContact CD1-CD2 4Å; L563-L582 HydrophobicContact CD1-CD2 4.19Å
564K94Very high92.4Very high94 Ų9448.3 Ų48.341%0.40924%0.235SC..Hα-helixtrans-61.1-49.6172.8-76.2-177.51801800111.3L560 H561 I562 L566 G567 E568 L579L560-K564 HydrophobicContact CD1-CD 4.48Å; L560-K564 HydrophobicContact CD1-CG 4.39Å; L560-K564 WeakPolarHBondContact O-CG 3.21Å; L560-K564 PolarHBondContact O-N 2.94Å; H561-K564 PolarHBondContact O-N 3.39Å; I562-K564 PolarHBondContact O-N 3.45Å; K564-L566 PolarHBondContact O-N 2.86Å; K564-G567 PolarHBondContact O-N 3.28Å; K564-E568 WeakPolarHBondContact O-CG 3.28Å; K564-E568 PolarHBondContact O-N 2.95Å; K564-L579 HydrophobicContact CG-CD1 3.96Å
565Y90.7Very high92.6Very high48 Ų4848.2 Ų48.219%0.18824%0.237CC..Hα-helixtrans-58-49.6178.8173-109.3000111.9A441 P506 H561 I562 G567 E568 Q569A441-Y565 HydrophobicContact CB-CD1 4.24Å; A441-Y565 VanDerWaalsContact O-CE1 3.27Å; A441-Y565 WeakPolarHBondContact O-CE1 3.43Å; P506-Y565 HydrophobicContact CB-CE1 3.83Å; H561-Y565 PolarHBondContact O-N 3.44Å; H561-Y565 VanDerWaalsContact O-N 3.1Å; I562-Y565 PolarHBondContact O-N 3.25Å; Y565-G567 VanDerWaalsContact C-N 3.28Å; Y565-G567 PolarHBondContact O-N 3.47Å; Y565-E568 WeakPolarHBondContact O-CB 3.35Å; Y565-E568 PolarHBondContact O-N 3.35Å; Y565-Q569 HydrophobicContact CD2-CG 4.22Å; Y565-Q569 HydrophobicContact CE1-CG 4.22Å; Y565-Q569 HydrophobicContact CE2-CG 3.76Å; Y565-Q569 WeakPolarHBondContact O-CG 3.17Å; Y565-Q569 PolarHBondContact O-N 3.43Å
566L92.6Very high92.4Very high0 Ų050 Ų500%025%0.25CS..Hα-helixtrans-64.6-34.1178.2-64.2177.6000112.3P506 S515 I562 K564 Q569 F570 M574P506-L566 HydrophobicContact CB-CD2 4.12Å; S515-L566 VanDerWaalsContact CB-CD1 3.42Å; S515-L566 VanDerWaalsContact OG-CD1 3.31Å; S515-L566 WeakPolarHBondContact OG-CD1 3.23Å; I562-L566 HydrophobicContact CG2-CD1 3.77Å; I562-L566 HydrophobicContact CG2-CG 4.21Å; I562-L566 WeakPolarHBondContact O-CG 3.32Å; I562-L566 PolarHBondContact O-N 3.12Å; K564-L566 PolarHBondContact O-N 2.86Å; L566-Q569 PolarHBondContact O-N 3.14Å; L566-F570 HydrophobicContact CB-CD2 4.35Å; L566-F570 HydrophobicContact CD2-CD2 4.25Å; L566-F570 HydrophobicContact CD2-CE2 3.87Å; L566-F570 WeakPolarHBondContact O-CB 3.34Å; L566-F570 WeakPolarHBondContact O-CD2 3.31Å; L566-F570 PolarHBondContact O-N 2.93Å; L566-M574 HydrophobicContact CB-CB 4.37Å
567G94Very high92.2Very high9 Ų949.8 Ų49.89%0.09325%0.249CC..Hα-helixtrans-63.4-37.6173.500000113.3L563 K564 Y565 G571L563-G567 PolarHBondContact O-N 3.16Å; K564-G567 PolarHBondContact O-N 3.28Å; Y565-G567 VanDerWaalsContact C-N 3.28Å; Y565-G567 PolarHBondContact O-N 3.47Å; G567-G571 VanDerWaalsContact O-CA 3.29Å; G567-G571 WeakPolarHBondContact O-CA 3.34Å; G567-G571 PolarHBondContact O-N 3.46Å
568E92.8Very high92.2Very high146 Ų14648.9 Ų48.968%0.68224%0.244SC*.Hα-helixtrans-67.9-39.7173.4-69.7169.5-173.200111.8K564 Y565K564-E568 WeakPolarHBondContact O-CG 3.28Å; K564-E568 PolarHBondContact O-N 2.95Å; Y565-E568 WeakPolarHBondContact O-CB 3.35Å; Y565-E568 PolarHBondContact O-N 3.35Å
569Q90.7Very high92.6Very high98 Ų9847.4 Ų47.446%0.45823%0.234SC..Hα-helixtrans-79.2-34.5-176.1-61.9-53.7-64.800113.7P506 Y565 L566P506-Q569 HydrophobicContact CB-CB 3.84Å; P506-Q569 HydrophobicContact CB-CG 3.8Å; P506-Q569 HydrophobicContact CG-CB 3.86Å; P506-Q569 HydrophobicContact CG-CG 3.79Å; Y565-Q569 HydrophobicContact CD2-CG 4.22Å; Y565-Q569 HydrophobicContact CE1-CG 4.22Å; Y565-Q569 HydrophobicContact CE2-CG 3.76Å; Y565-Q569 WeakPolarHBondContact O-CG 3.17Å; Y565-Q569 PolarHBondContact O-N 3.43Å; L566-Q569 PolarHBondContact O-N 3.14Å
570F92.5Very high92.9Very high39 Ų3953.7 Ų53.717%0.17126%0.256CS..Hα-helixtrans-1144.2-173.9-61.1-62000114.1P506 R512 L566 M574P506-F570 HydrophobicContact CB-CE2 3.75Å; P506-F570 HydrophobicContact CB-CZ 3.81Å; P506-F570 HydrophobicContact CG-CZ 4.18Å; P506-F570 WeakPolarHBondContact O-CE2 3.35Å; R512-F570 HydrophobicContact CG-CE2 4.4Å; L566-F570 HydrophobicContact CB-CD2 4.35Å; L566-F570 HydrophobicContact CD2-CD2 4.25Å; L566-F570 HydrophobicContact CD2-CE2 3.87Å; L566-F570 WeakPolarHBondContact O-CB 3.34Å; L566-F570 WeakPolarHBondContact O-CD2 3.31Å; L566-F570 PolarHBondContact O-N 2.93Å; F570-M574 HydrophobicContact CB-CB 4.13Å; F570-M574 HydrophobicContact CB-CG 3.82Å; F570-M574 HydrophobicContact CD2-CG 4.09Å; F570-M574 HydrophobicContact CG-CG 4.34Å
571G92.5Very high93Very high31 Ų3153.3 Ų53.332%0.3225%0.254SS..THydrogen-bonded Turntrans57.8-146.4177.800000112.7G567 R573 M574 S575G567-G571 VanDerWaalsContact O-CA 3.29Å; G567-G571 WeakPolarHBondContact O-CA 3.34Å; G567-G571 PolarHBondContact O-N 3.46Å; G571-R573 PolarHBondContact O-N 3.12Å; G571-M574 PolarHBondContact O-N 3.05Å; G571-S575 PolarHBondContact O-N 3.29Å; G571-S575 PolarHBondContact O-OG 3.27Å
572R91.2Very high93.3Very high168 Ų16848.7 Ų48.763%0.63423%0.233SC*.Hα-helixtrans-55.2-24.7-171.5-70.6-167.966.7-165.6-3.3114.5M574 S575 S576 P706R572-M574 PolarHBondContact O-N 3.18Å; R572-S575 WeakPolarHBondContact CA-OG 3.35Å; R572-S575 PolarHBondContact N-OG 3.45Å; R572-S576 WeakPolarHBondContact O-CB 3.44Å; R572-S576 PolarHBondContact O-N 2.94Å; R572-P706 HydrophobicContact CB-CG 3.7Å
573R90.9Very high93.6Very high52 Ų5250.3 Ų50.320%0.19624%0.24CC..Hα-helixtrans-57.7-34.2175.1-171.2178.783.2-154.98.7112.5R512 G571 E646 M649R512-R573 VanDerWaalsContact NH2-NH2 3.2Å; G571-R573 PolarHBondContact O-N 3.12Å; R573-E646 IonicContact CZ-OE1 3.46Å; R573-E646 IonicContact NE-OE1 2.75Å; R573-E646 IonicContact NE-OE2 3.84Å; R573-E646 IonicContact NH2-OE1 2.79Å; R573-E646 PolarHBondContact NH2-OE1 2.93Å; R573-M649 PolarHBondContact NH1-SD 3.09Å
574M92.7Very high93.8Very high3 Ų353.9 Ų53.92%0.01526%0.255CS..Hα-helixtrans-120.8-3.2-177.5-67.2-74-176.400113.4R512 L519 L566 F570 G571 R572 E646R512-M574 HydrophobicContact CG-CE 4.33Å; L519-M574 HydrophobicContact CD1-CB 4.26Å; L519-M574 VanDerWaalsContact CD1-O 3.32Å; L519-M574 WeakPolarHBondContact CD1-O 3.39Å; L519-M574 HydrophobicContact CD1-SD 3.75Å; L566-M574 HydrophobicContact CB-CB 4.37Å; F570-M574 HydrophobicContact CB-CB 4.13Å; F570-M574 HydrophobicContact CB-CG 3.82Å; F570-M574 HydrophobicContact CD2-CG 4.09Å; F570-M574 HydrophobicContact CG-CG 4.34Å; G571-M574 PolarHBondContact O-N 3.05Å; R572-M574 PolarHBondContact O-N 3.18Å; M574-E646 HydrophobicContact CE-CG 3.81Å; M574-E646 VanDerWaalsContact CE-OE1 3.31Å; M574-E646 WeakPolarHBondContact CE-OE1 3.37Å; M574-E646 WeakPolarHBondContact CE-OE2 3.31Å
575S92.9Very high94Very high59 Ų5949.5 Ų49.541%0.41324%0.236SC..Hα-helixtrans-116.114.1176.463.20000114.3G571 R572 V577G571-S575 PolarHBondContact O-N 3.29Å; G571-S575 PolarHBondContact O-OG 3.27Å; R572-S575 WeakPolarHBondContact CA-OG 3.35Å; R572-S575 PolarHBondContact N-OG 3.45Å; S575-V577 VanDerWaalsContact C-N 3.26Å; S575-V577 PolarHBondContact O-N 3.16Å
576S87.4Confident94.4Very high40 Ų4048.5 Ų48.528%0.2824%0.235SC..  trans-68-23.5178.264.50000114.1R572 E707R572-S576 WeakPolarHBondContact O-CB 3.44Å; R572-S576 PolarHBondContact O-N 2.94Å; S576-E707 VanDerWaalsContact CB-OE1 3.25Å; S576-E707 WeakPolarHBondContact CB-OE1 3.45Å; S576-E707 WeakPolarHBondContact CB-OE2 3.43Å; S576-E707 PolarHBondContact OG-OE1 3.38Å; S576-E707 PolarHBondContact OG-OE2 3.28Å
577V92.4Very high94.7Very high8 Ų854 Ų545%0.04827%0.265CS..SBendtrans-93135.1-176.7-176.40000110.1L519 L522 R523 S575 L579L519-V577 HydrophobicContact CB-CG2 4Å; L519-V577 HydrophobicContact CD2-CB 3.96Å; L519-V577 HydrophobicContact CD2-CG2 4.24Å; L519-V577 WeakPolarHBondContact O-CG2 3.28Å; L522-V577 HydrophobicContact CB-CG1 3.88Å; R523-V577 HydrophobicContact CB-CG1 4.33Å; R523-V577 HydrophobicContact CB-CG2 4.14Å; S575-V577 VanDerWaalsContact C-N 3.26Å; S575-V577 PolarHBondContact O-N 3.16Å; V577-L579 PolarHBondContact O-N 2.8Å
578D94.5Very high94.8Very high30 Ų3056 Ų5616%0.1628%0.281CS..  trans-76.6110.6-179.3-179.60.6000110Q526 R580 P581Q526-D578 PolarHBondContact OE1-O 3.5Å; D578-R580 VanDerWaalsContact C-N 3.3Å; D578-R580 PolarHBondContact O-N 2.85Å; D578-R580 VanDerWaalsContact OD1-CB 3.26Å; D578-R580 WeakPolarHBondContact OD1-CB 3.35Å; D578-R580 WeakPolarHBondContact OD1-CG 3.47Å; D578-R580 IonicContact OD1-CZ 2.59Å; D578-R580 PolarHBondContact OD1-N 3.23Å; D578-R580 IonicContact OD1-NE 2.67Å; D578-R580 PolarHBondContact OD1-NE 2.98Å; D578-R580 IonicContact OD1-NH2 3.28Å; D578-R580 IonicContact OD2-CZ 3.39Å; D578-R580 VanDerWaalsContact OD2-CZ 3.28Å; D578-R580 IonicContact OD2-NE 3.21Å; D578-R580 PolarHBondContact OD2-NE 3.04Å; D578-R580 VanDerWaalsContact OD2-NE 3.09Å; D578-R580 IonicContact OD2-NH2 2.62Å; D578-R580 PolarHBondContact OD2-NH2 2.89Å; D578-P581 WeakPolarHBondContact O-CD 3.42Å
579L97.4Very high95.1Very high28 Ų2853.8 Ų53.815%0.14727%0.274CS..  trans-83-0.5-177-58.5-178.8000113.7L519 L522 L560 L563 K564 V577 P581 L582 Q583L519-L579 HydrophobicContact CD2-CD2 4.09Å; L522-L579 HydrophobicContact CD1-CD2 3.97Å; L560-L579 HydrophobicContact CD1-CB 3.98Å; L560-L579 HydrophobicContact CD1-CD1 4.29Å; L563-L579 HydrophobicContact CB-CD1 3.93Å; L563-L579 HydrophobicContact CB-CD2 4.32Å; L563-L579 HydrophobicContact CD1-CD2 4Å; K564-L579 HydrophobicContact CG-CD1 3.96Å; V577-L579 PolarHBondContact O-N 2.8Å; L579-P581 VanDerWaalsContact C-CD 3.48Å; L579-L582 WeakPolarHBondContact O-CB 3.22Å; L579-L582 PolarHBondContact O-N 2.9Å; L579-L582 VanDerWaalsContact O-N 3.13Å; L579-Q583 PolarHBondContact O-N 2.98Å
580R98.1Very high95.4Very high143 Ų14350.4 Ų50.454%0.5426%0.258SS..Hα-helixtrans-59.6-37.4-179.8-68.2177.2-66.3173.92.2114.3D578 L582 Q583 K584 Y622D578-R580 VanDerWaalsContact C-N 3.3Å; D578-R580 PolarHBondContact O-N 2.85Å; D578-R580 VanDerWaalsContact OD1-CB 3.26Å; D578-R580 WeakPolarHBondContact OD1-CB 3.35Å; D578-R580 WeakPolarHBondContact OD1-CG 3.47Å; D578-R580 IonicContact OD1-CZ 2.59Å; D578-R580 PolarHBondContact OD1-N 3.23Å; D578-R580 IonicContact OD1-NE 2.67Å; D578-R580 PolarHBondContact OD1-NE 2.98Å; D578-R580 IonicContact OD1-NH2 3.28Å; D578-R580 IonicContact OD2-CZ 3.39Å; D578-R580 VanDerWaalsContact OD2-CZ 3.28Å; D578-R580 IonicContact OD2-NE 3.21Å; D578-R580 PolarHBondContact OD2-NE 3.04Å; D578-R580 VanDerWaalsContact OD2-NE 3.09Å; D578-R580 IonicContact OD2-NH2 2.62Å; D578-R580 PolarHBondContact OD2-NH2 2.89Å; R580-L582 VanDerWaalsContact C-N 3.33Å; R580-L582 PolarHBondContact O-N 2.83Å; R580-Q583 PolarHBondContact O-N 2.91Å; R580-K584 PolarHBondContact O-N 3.29Å; R580-Y622 HydrophobicContact CB-CD1 3.95Å; R580-Y622 HydrophobicContact CB-CE1 3.45Å; R580-Y622 VanDerWaalsContact CB-CE1 3.45Å; R580-Y622 HydrophobicContact CB-CE2 4.46Å; R580-Y622 HydrophobicContact CG-CE1 4.24Å
581P98.1Very high95.6Very high1 Ų149.5 Ų49.51%0.00626%0.255CS..Hα-helixtrans-58.4-46171.6-25.936.4000112.2Q526 D578 L579 Q583 K584 M585 I618 F619 Y622Q526-P581 HydrophobicContact CG-CG 4.34Å; D578-P581 WeakPolarHBondContact O-CD 3.42Å; L579-P581 VanDerWaalsContact C-CD 3.48Å; P581-Q583 PolarHBondContact O-N 3.42Å; P581-K584 PolarHBondContact O-N 2.73Å; P581-M585 WeakPolarHBondContact O-CG 3.47Å; P581-M585 PolarHBondContact O-N 3.37Å; P581-I618 HydrophobicContact CB-CG2 4.01Å; P581-I618 WeakPolarHBondContact O-CG2 3.41Å; P581-F619 HydrophobicContact CB-CD1 3.78Å; P581-F619 HydrophobicContact CB-CE1 3.75Å; P581-F619 HydrophobicContact CB-CG 4.21Å; P581-F619 HydrophobicContact CB-CZ 4.15Å; P581-F619 HydrophobicContact CG-CD1 4.23Å; P581-F619 HydrophobicContact CG-CE1 4.38Å; P581-Y622 HydrophobicContact CB-CD2 4.4Å; P581-Y622 HydrophobicContact CG-CD2 3.7Å; P581-Y622 HydrophobicContact CG-CG 3.68Å
582L97.8Very high95.7Very high4 Ų448 Ų482%0.02124%0.24CC..Hα-helixtrans-64.5-41.9178.9-172.863.4000111L522 L556 L560 L563 L579 R580 M585 V586L522-L582 HydrophobicContact CD1-CD2 4.08Å; L556-L582 HydrophobicContact CB-CD1 3.75Å; L556-L582 HydrophobicContact CD1-CD1 4.01Å; L556-L582 HydrophobicContact CD2-CD1 4.02Å; L556-L582 HydrophobicContact CG-CD1 4.14Å; L560-L582 HydrophobicContact CB-CD2 3.81Å; L560-L582 HydrophobicContact CB-CG 4.07Å; L560-L582 HydrophobicContact CD1-CB 4.26Å; L560-L582 HydrophobicContact CD1-CD2 3.88Å; L560-L582 HydrophobicContact CD1-CG 4.07Å; L560-L582 HydrophobicContact CG-CD2 4.43Å; L563-L582 HydrophobicContact CD1-CD2 4.19Å; L579-L582 WeakPolarHBondContact O-CB 3.22Å; L579-L582 PolarHBondContact O-N 2.9Å; L579-L582 VanDerWaalsContact O-N 3.13Å; R580-L582 VanDerWaalsContact C-N 3.33Å; R580-L582 PolarHBondContact O-N 2.83Å; L582-M585 PolarHBondContact O-N 3.48Å; L582-V586 WeakPolarHBondContact O-CG2 3.48Å; L582-V586 PolarHBondContact O-N 3.09Å
583Q98.4Very high95.7Very high52 Ų5243.7 Ų43.724%0.24322%0.223CC..Hα-helixtrans-58.1-49173.6-17667.470.200111.8L560 L579 R580 P581 M585 V586 D587L560-Q583 HydrophobicContact CD2-CB 4.16Å; L579-Q583 PolarHBondContact O-N 2.98Å; R580-Q583 PolarHBondContact O-N 2.91Å; P581-Q583 PolarHBondContact O-N 3.42Å; Q583-M585 VanDerWaalsContact C-N 3.28Å; Q583-M585 PolarHBondContact O-N 3.21Å; Q583-V586 WeakPolarHBondContact O-CB 3.34Å; Q583-V586 PolarHBondContact O-N 2.91Å; Q583-V586 VanDerWaalsContact O-N 3.08Å; Q583-D587 PolarHBondContact NE2-OD1 3.05Å; Q583-D587 PolarHBondContact O-N 3.5Å
584K98.5Very high95.6Very high78 Ų7847 Ų4734%0.33924%0.239SC..Hα-helixtrans-60.3-37.7177.5-81.1-163.4176.3-179.60112.9R580 P581 D587 A588 I618 E621 Y622R580-K584 PolarHBondContact O-N 3.29Å; P581-K584 PolarHBondContact O-N 2.73Å; K584-D587 PolarHBondContact O-N 3.2Å; K584-A588 VanDerWaalsContact O-CB 3.26Å; K584-A588 WeakPolarHBondContact O-CB 3.22Å; K584-A588 PolarHBondContact O-N 2.94Å; K584-I618 HydrophobicContact CB-CD1 4.22Å; K584-I618 HydrophobicContact CB-CG1 4.44Å; K584-I618 HydrophobicContact CB-CG2 3.76Å; K584-I618 HydrophobicContact CD-CG2 4.26Å; K584-E621 IonicContact NZ-OE2 3.34Å; K584-E621 PolarHBondContact NZ-OE2 3.26Å; K584-Y622 HydrophobicContact CD-CE2 3.99Å; K584-Y622 WeakPolarHBondContact CE-OH 2.87Å; K584-Y622 PolarHBondContact NZ-OH 2.82Å
585M98.4Very high95.7Very high2 Ų249.4 Ų49.41%0.0125%0.254CS..Hα-helixtrans-63.9-43.3174.5-72.4-176.169.900111.5L556 P581 L582 Q583 A588 N589 M590 G598 A615 I618 F619L556-M585 HydrophobicContact CD1-CB 4.49Å; L556-M585 HydrophobicContact CD1-CE 3.47Å; L556-M585 VanDerWaalsContact CD1-CE 3.47Å; L556-M585 HydrophobicContact CD1-SD 4.18Å; P581-M585 WeakPolarHBondContact O-CG 3.47Å; P581-M585 PolarHBondContact O-N 3.37Å; L582-M585 PolarHBondContact O-N 3.48Å; Q583-M585 VanDerWaalsContact C-N 3.28Å; Q583-M585 PolarHBondContact O-N 3.21Å; M585-A588 CarbonylContact O-C 3.52Å; M585-A588 PolarHBondContact O-N 3.31Å; M585-N589 PolarHBondContact O-N 2.7Å; M585-M590 HydrophobicContact CB-CB 4.19Å; M585-M590 HydrophobicContact CE-CB 4.2Å; M585-M590 WeakPolarHBondContact O-CA 3.35Å; M585-M590 WeakPolarHBondContact O-CB 3.11Å; M585-M590 PolarHBondContact O-N 2.75Å; M585-G598 VanDerWaalsContact CE-C 3.4Å; M585-A615 HydrophobicContact CE-CB 3.5Å; M585-A615 HydrophobicContact SD-CB 4Å; M585-I618 HydrophobicContact CG-CD1 3.85Å; M585-I618 HydrophobicContact CG-CG2 4.37Å; M585-F619 HydrophobicContact SD-CD2 4.33Å; M585-F619 HydrophobicContact SD-CE2 3.58Å; M585-F619 VanDerWaalsContact SD-CE2 3.58Å; M585-F619 HydrophobicContact SD-CZ 4.37Å
586V98.3Very high95.7Very high28 Ų2847.6 Ų47.617%0.1724%0.244CC..Hα-helixtrans-62.5-46.3175.9170.80000111.3L556 D557 L560 L582 Q583 A588 N589 L591L556-V586 HydrophobicContact CB-CG2 4.27Å; D557-V586 HydrophobicContact CB-CG1 4.03Å; D557-V586 HydrophobicContact CB-CG2 4.15Å; L560-V586 HydrophobicContact CB-CG2 4.4Å; L560-V586 HydrophobicContact CD2-CB 4.1Å; L560-V586 HydrophobicContact CD2-CG1 4.4Å; L560-V586 HydrophobicContact CD2-CG2 3.84Å; L582-V586 WeakPolarHBondContact O-CG2 3.48Å; L582-V586 PolarHBondContact O-N 3.09Å; Q583-V586 WeakPolarHBondContact O-CB 3.34Å; Q583-V586 PolarHBondContact O-N 2.91Å; Q583-V586 VanDerWaalsContact O-N 3.08Å; V586-A588 PolarHBondContact O-N 3.34Å; V586-N589 WeakPolarHBondContact O-CA 3.24Å; V586-N589 PolarHBondContact O-N 2.81Å; V586-L591 HydrophobicContact CB-CD2 4.16Å; V586-L591 HydrophobicContact CG1-CD2 4.05Å; V586-L591 HydrophobicContact CG2-CD2 4.07Å
587D98.4Very high96.1Very high114 Ų11451.2 Ų51.261%0.6126%0.255SS*.Hα-helixtrans-62.2-33.5177.9-60.6-19.2000111.9Q583 K584 N589Q583-D587 PolarHBondContact NE2-OD1 3.05Å; Q583-D587 PolarHBondContact O-N 3.5Å; K584-D587 PolarHBondContact O-N 3.2Å; D587-N589 PolarHBondContact O-N 3.33Å
588A97.9Very high96.2Very high52 Ų5250.8 Ų50.843%0.4325%0.253SS..THydrogen-bonded Turntrans-82.911.7173.900000113.8K584 M585 V586 M590K584-A588 VanDerWaalsContact O-CB 3.26Å; K584-A588 WeakPolarHBondContact O-CB 3.22Å; K584-A588 PolarHBondContact O-N 2.94Å; M585-A588 CarbonylContact O-C 3.52Å; M585-A588 PolarHBondContact O-N 3.31Å; V586-A588 PolarHBondContact O-N 3.34Å; A588-M590 HydrophobicContact CB-CE 3.64Å; A588-M590 HydrophobicContact CB-CG 4.1Å; A588-M590 PolarHBondContact O-N 2.88Å; A588-M590 VanDerWaalsContact O-N 3.17Å
589N97.4Very high96.3Very high100 Ų10049.6 Ų49.654%0.53525%0.247SC..THydrogen-bonded Turntrans57.625.1-179.2-162.335.8000114.3M585 V586 D587 L591 T595M585-N589 PolarHBondContact O-N 2.7Å; V586-N589 WeakPolarHBondContact O-CA 3.24Å; V586-N589 PolarHBondContact O-N 2.81Å; D587-N589 PolarHBondContact O-N 3.33Å; N589-L591 VanDerWaalsContact C-N 3.29Å; N589-L591 PolarHBondContact O-N 3.08Å; N589-L591 VanDerWaalsContact O-N 3.14Å; N589-T595 WeakPolarHBondContact O-CB 3.43Å; N589-T595 PolarHBondContact O-OG1 3.04Å
590M97.5Very high96.3Very high27 Ų2748.3 Ų48.313%0.13324%0.24CC..  trans-86.567.3174.9-52.3-170.8-159.700110L556 M585 A588 G592 K597 N612 A614 I618L556-M590 WeakPolarHBondContact CD1-O 3.47Å; M585-M590 HydrophobicContact CB-CB 4.19Å; M585-M590 HydrophobicContact CE-CB 4.2Å; M585-M590 WeakPolarHBondContact O-CA 3.35Å; M585-M590 WeakPolarHBondContact O-CB 3.11Å; M585-M590 PolarHBondContact O-N 2.75Å; A588-M590 HydrophobicContact CB-CE 3.64Å; A588-M590 HydrophobicContact CB-CG 4.1Å; A588-M590 PolarHBondContact O-N 2.88Å; A588-M590 VanDerWaalsContact O-N 3.17Å; M590-G592 VanDerWaalsContact C-N 3.32Å; M590-G592 PolarHBondContact O-N 2.83Å; M590-K597 CarbonylContact C-O 3.58Å; M590-K597 WeakPolarHBondContact CA-O 3.23Å; M590-N612 PolarHBondContact SD-ND2 2.94Å; M590-A614 HydrophobicContact CE-CB 3.81Å; M590-A614 HydrophobicContact SD-CB 4.43Å; M590-I618 HydrophobicContact CE-CD1 4.25Å
591L96.3Very high96.2Very high20 Ų2044.1 Ų44.111%0.10523%0.227CC..  trans-89.69.1-170.5-49-175000114.1G555 L556 D557 V586 N589 K594 T595 K597G555-L591 WeakPolarHBondContact CA-O 3.25Å; L556-L591 PolarHBondContact N-O 2.76Å; D557-L591 HydrophobicContact CB-CD2 4.01Å; V586-L591 HydrophobicContact CB-CD2 4.16Å; V586-L591 HydrophobicContact CG1-CD2 4.05Å; V586-L591 HydrophobicContact CG2-CD2 4.07Å; N589-L591 VanDerWaalsContact C-N 3.29Å; N589-L591 PolarHBondContact O-N 3.08Å; N589-L591 VanDerWaalsContact O-N 3.14Å; L591-K594 HydrophobicContact CB-CD 4.39Å; L591-K594 VanDerWaalsContact CB-CE 3.41Å; L591-K594 HydrophobicContact CB-CG 4.11Å; L591-T595 HydrophobicContact CB-CG2 3.92Å; L591-T595 HydrophobicContact CD1-CG2 3.89Å; L591-T595 HydrophobicContact CG-CG2 3.92Å; L591-T595 PolarHBondContact N-OG1 3.44Å; L591-T595 VanDerWaalsContact N-OG1 3.08Å; L591-K597 PolarHBondContact N-O 2.84Å; L591-K597 VanDerWaalsContact N-O 3.1Å
592G94.8Very high95.9Very high0 Ų045.1 Ų45.10%023%0.231CC..BIsolated β-bridgetrans95.7-144.3-177.800000113.1D552 M590 K594 T595 G596 K597D552-G592 CarbonylContact O-C 3.42Å; D552-G592 WeakPolarHBondContact O-CA 3.4Å; M590-G592 VanDerWaalsContact C-N 3.32Å; M590-G592 PolarHBondContact O-N 2.83Å; G592-K594 VanDerWaalsContact C-N 3.27Å; G592-K594 PolarHBondContact O-N 3.3Å; G592-T595 PolarHBondContact O-N 2.76Å; G592-G596 PolarHBondContact O-N 3.26Å; G592-K597 PolarHBondContact N-O 3.26Å; G592-K597 CarbonylContact O-C 3.58Å; G592-K597 PolarHBondContact O-N 2.92Å; G592-K597 VanDerWaalsContact O-N 3.08Å
593R91.4Very high95.1Very high77 Ų7747.5 Ų47.529%0.29126%0.257SS..G310 helixtrans-60.2-36.4-173.7-178.3179-74-81.90.3112.3D552 E553 T595 G596 Y602 K606D552-R593 PolarHBondContact O-N 2.94Å; E553-R593 IonicContact OE1-CZ 3.88Å; E553-R593 IonicContact OE1-NE 2.69Å; E553-R593 PolarHBondContact OE1-NE 2.59Å; E553-R593 IonicContact OE1-NH2 3.25Å; E553-R593 PolarHBondContact OE1-NH2 3.15Å; E553-R593 WeakPolarHBondContact OE2-CD 3.3Å; E553-R593 IonicContact OE2-NE 2.67Å; E553-R593 PolarHBondContact OE2-NE 2.86Å; R593-T595 VanDerWaalsContact C-N 3.29Å; R593-T595 PolarHBondContact O-N 3.12Å; R593-G596 PolarHBondContact O-N 3.41Å; R593-G596 VanDerWaalsContact O-N 3.12Å; R593-Y602 HydrophobicContact CB-CD2 4.44Å; R593-Y602 HydrophobicContact CB-CG 4.44Å; R593-Y602 HydrophobicContact CG-CD1 4.5Å; R593-K606 PolarHBondContact NH1-O 2.85Å
594K89.4Confident93.6Very high121 Ų12151 Ų5153%0.52629%0.286SS..G310 helixtrans-65.8-26.3-174.664.9175.9-179.7-178.90114.5D557 L591 G592D557-K594 WeakPolarHBondContact OD1-CE 3.43Å; D557-K594 IonicContact OD1-NZ 3.17Å; D557-K594 PolarHBondContact OD1-NZ 3.35Å; D557-K594 IonicContact OD2-NZ 2.83Å; D557-K594 PolarHBondContact OD2-NZ 2.85Å; L591-K594 HydrophobicContact CB-CD 4.39Å; L591-K594 VanDerWaalsContact CB-CE 3.41Å; L591-K594 HydrophobicContact CB-CG 4.11Å; G592-K594 VanDerWaalsContact C-N 3.27Å; G592-K594 PolarHBondContact O-N 3.3Å
595T94.4Very high91.8Very high53 Ų5351 Ų5133%0.32531%0.309SS..G310 helixtrans-1085.3173.857.80000112.7N589 L591 G592 R593 K597N589-T595 WeakPolarHBondContact O-CB 3.43Å; N589-T595 PolarHBondContact O-OG1 3.04Å; L591-T595 HydrophobicContact CB-CG2 3.92Å; L591-T595 HydrophobicContact CD1-CG2 3.89Å; L591-T595 HydrophobicContact CG-CG2 3.92Å; L591-T595 PolarHBondContact N-OG1 3.44Å; L591-T595 VanDerWaalsContact N-OG1 3.08Å; G592-T595 PolarHBondContact O-N 2.76Å; R593-T595 VanDerWaalsContact C-N 3.29Å; R593-T595 PolarHBondContact O-N 3.12Å; T595-K597 PolarHBondContact O-N 2.9Å; T595-K597 PolarHBondContact OG1-O 2.92Å
596G92.9Very high90Very high21 Ų2158.7 Ų58.722%0.21634%0.342CS..THydrogen-bonded Turntrans77.8-0.6-179.300000114.5G592 R593 Y602G592-G596 PolarHBondContact O-N 3.26Å; R593-G596 PolarHBondContact O-N 3.41Å; R593-G596 VanDerWaalsContact O-N 3.12Å; G596-Y602 PolarHBondContact O-N 3.22Å
597K95Very high88.5Confident116 Ų11666.9 Ų66.950%0.50438%0.376SS..BIsolated β-bridgetrans-148.7129.3-179.4-61.5-177.6-175.9177.10110.6M590 L591 G592 T595 F600M590-K597 CarbonylContact C-O 3.58Å; M590-K597 WeakPolarHBondContact CA-O 3.23Å; L591-K597 PolarHBondContact N-O 2.84Å; L591-K597 VanDerWaalsContact N-O 3.1Å; G592-K597 PolarHBondContact N-O 3.26Å; G592-K597 CarbonylContact O-C 3.58Å; G592-K597 PolarHBondContact O-N 2.92Å; G592-K597 VanDerWaalsContact O-N 3.08Å; T595-K597 PolarHBondContact O-N 2.9Å; T595-K597 PolarHBondContact OG1-O 2.92Å; K597-F600 WeakPolarHBondContact CA-O 3.49Å
598G96Very high87.4Confident0 Ų062.5 Ų62.50%035%0.354CS..SBendtrans-140.7-126.2167.200000108.7D552 M585 F600 N612D552-G598 WeakPolarHBondContact OD1-CA 3.37Å; M585-G598 VanDerWaalsContact CE-C 3.4Å; G598-F600 PolarHBondContact N-O 3.16Å; G598-F600 PolarHBondContact O-N 3.39Å; G598-N612 VanDerWaalsContact O-CB 3.27Å; G598-N612 WeakPolarHBondContact O-CB 3.27Å; G598-N612 PolarHBondContact O-ND2 3.02Å
599A96.5Very high86.5Confident5 Ų565.3 Ų65.34%0.04137%0.366CS..SBendtrans-66.9-27.1166.300000111.9V548 D552 N612V548-A599 HydrophobicContact CG1-CB 3.23Å; D552-A599 PolarHBondContact OD1-N 2.94Å; D552-A599 PolarHBondContact OD2-N 3.49Å; A599-N612 WeakPolarHBondContact O-CB 3.22Å; A599-N612 PolarHBondContact O-N 2.87Å
600F96.5Very high86.3Confident1 Ų166.5 Ų66.50%0.00437%0.367CS..BIsolated β-bridgetrans-111159.4169.4-58.6-79.5000112.5P531 V532 N535 V548 D552 K597 G598 Y602 K610 V611P531-F600 HydrophobicContact CB-CE1 3.88Å; P531-F600 HydrophobicContact CB-CE2 4.19Å; P531-F600 HydrophobicContact CB-CZ 3.49Å; P531-F600 VanDerWaalsContact CB-CZ 3.49Å; V532-F600 HydrophobicContact CG2-CE1 3.88Å; N535-F600 VanDerWaalsContact ND2-CE2 3.27Å; N535-F600 WeakPolarHBondContact ND2-CE2 3.49Å; N535-F600 WeakPolarHBondContact ND2-CZ 3.4Å; V548-F600 HydrophobicContact CB-CE2 3.88Å; V548-F600 HydrophobicContact CB-CZ 4.46Å; V548-F600 HydrophobicContact CG1-CD2 4.38Å; V548-F600 HydrophobicContact CG1-CE2 3.73Å; V548-F600 HydrophobicContact CG1-CZ 4.45Å; D552-F600 PolarHBondContact OD2-N 3.26Å; K597-F600 WeakPolarHBondContact CA-O 3.49Å; G598-F600 PolarHBondContact N-O 3.16Å; G598-F600 PolarHBondContact O-N 3.39Å; F600-Y602 HydrophobicContact CB-CE2 4Å; F600-Y602 WeakPolarHBondContact O-CE2 3.15Å; F600-K610 CarbonylContact C-O 3.5Å; F600-K610 WeakPolarHBondContact CA-O 3.39Å; F600-V611 HydrophobicContact CD1-CG2 4.32Å; F600-V611 HydrophobicContact CE1-CG2 4Å
601E95.4Very high86.2Confident54 Ų5466.7 Ų66.725%0.25237%0.369SS..BIsolated β-bridgetrans-93.6123.1169.9-64.7178.3-14700110.4S608 K610 N612E601-S608 WeakPolarHBondContact O-CB 3.35Å; E601-S608 PolarHBondContact O-OG 3.32Å; E601-K610 HydrophobicContact CB-CB 4.48Å; E601-K610 HydrophobicContact CB-CD 4.23Å; E601-K610 HydrophobicContact CB-CG 4.45Å; E601-K610 PolarHBondContact N-O 3.01Å; E601-K610 IonicContact OE1-NZ 2.93Å; E601-K610 WeakPolarHBondContact OE2-CD 3.49Å; E601-K610 WeakPolarHBondContact OE2-CE 3.41Å; E601-K610 IonicContact OE2-NZ 2.7Å; E601-K610 PolarHBondContact OE2-NZ 2.83Å; E601-N612 HydrophobicContact CG-CB 4.06Å
602Y91.8Very high86.2Confident22 Ų2266.1 Ų66.19%0.08637%0.366CS..  trans-105.9118.6-177.1-61.8-86.3000111.9D552 R593 G596 F600D552-Y602 HydrophobicContact CB-CE2 3.81Å; D552-Y602 WeakPolarHBondContact CB-OH 3.25Å; D552-Y602 WeakPolarHBondContact OD2-CE2 3.37Å; D552-Y602 PolarHBondContact OD2-OH 3.45Å; R593-Y602 HydrophobicContact CB-CD2 4.44Å; R593-Y602 HydrophobicContact CB-CG 4.44Å; R593-Y602 HydrophobicContact CG-CD1 4.5Å; G596-Y602 PolarHBondContact O-N 3.22Å; F600-Y602 HydrophobicContact CB-CE2 4Å; F600-Y602 WeakPolarHBondContact O-CE2 3.15Å
603G82Confident86.3Confident55 Ų5574 Ų7457%0.56740%0.401SS*.  trans-85177.4164.500000112.4G605G603-G605 PolarHBondContact O-N 2.85Å
604S66.9Low86.6Confident124 Ų12472.4 Ų72.487%0.86740%0.404SS*.THydrogen-bonded Turntrans-57.9112.6177.350.10000111.8K606S604-K606 PolarHBondContact O-N 3.29Å
605G61.5Low87Confident80 Ų8066.7 Ų66.783%0.82538%0.379SS*.THydrogen-bonded Turntrans74.30.7164.400000118.6G603G603-G605 PolarHBondContact O-N 2.85Å
606K59.5Low87.1Confident162 Ų16266 Ų6670%0.70437%0.373SS*.  trans-104.2153.8-176.5-68.2-175.5-179.4178.30113.6R593 S604R593-K606 PolarHBondContact NH1-O 2.85Å; S604-K606 PolarHBondContact O-N 3.29Å
607K67.7Low87.3Confident200 Ų20068 Ų6887%0.8738%0.384SS*.  trans-66.4127.1159.7-71.1-173.3177.9-173.60107
608S74.5Confident87.5Confident23 Ų2363.3 Ų63.316%0.16136%0.364CS..  trans-104.9139.1177.8-1710000110.9E601 K610E601-S608 WeakPolarHBondContact O-CB 3.35Å; E601-S608 PolarHBondContact O-OG 3.32Å; S608-K610 PolarHBondContact OG-N 2.99Å; S608-K610 VanDerWaalsContact OG-N 3.09Å
609T78.7Confident87.6Confident111 Ų11163.8 Ų63.868%0.68137%0.366SS*.  trans-114.25.4165.454.20000111.1V611T609-V611 PolarHBondContact O-N 2.77Å; T609-V611 VanDerWaalsContact O-N 3.16Å
610K93.1Very high87.5Confident125 Ų12570.8 Ų70.854%0.54340%0.395SS..  trans-78.3102.6179.5-172.8-177.6178.8-1620108.6F600 E601 S608 N612F600-K610 CarbonylContact C-O 3.5Å; F600-K610 WeakPolarHBondContact CA-O 3.39Å; E601-K610 HydrophobicContact CB-CB 4.48Å; E601-K610 HydrophobicContact CB-CD 4.23Å; E601-K610 HydrophobicContact CB-CG 4.45Å; E601-K610 PolarHBondContact N-O 3.01Å; E601-K610 IonicContact OE1-NZ 2.93Å; E601-K610 WeakPolarHBondContact OE2-CD 3.49Å; E601-K610 WeakPolarHBondContact OE2-CE 3.41Å; E601-K610 IonicContact OE2-NZ 2.7Å; E601-K610 PolarHBondContact OE2-NZ 2.83Å; S608-K610 PolarHBondContact OG-N 2.99Å; S608-K610 VanDerWaalsContact OG-N 3.09Å; K610-N612 PolarHBondContact O-N 3.21Å
611V96.2Very high87.6Confident30 Ų3076.2 Ų76.218%0.18242%0.421CS..BIsolated β-bridgetrans-61.8131.3176.9177.10000110P531 V532 F600 T609 K613 I616P531-V611 HydrophobicContact CB-CG2 4.38Å; P531-V611 HydrophobicContact CG-CG1 4.14Å; P531-V611 HydrophobicContact CG-CG2 4.45Å; V532-V611 HydrophobicContact CG2-CG2 3.7Å; F600-V611 HydrophobicContact CD1-CG2 4.32Å; F600-V611 HydrophobicContact CE1-CG2 4Å; T609-V611 PolarHBondContact O-N 2.77Å; T609-V611 VanDerWaalsContact O-N 3.16Å; V611-K613 PolarHBondContact O-N 3.26Å; V611-I616 HydrophobicContact CG1-CD1 3.72Å; V611-I616 HydrophobicContact CG1-CG1 3.35Å
612N96.9Very high87.6Confident8 Ų875.7 Ų75.74%0.04342%0.417CS..  trans-76105173.9177.71000109.5M590 G598 A599 E601 K610 A614 A615 I616M590-N612 PolarHBondContact SD-ND2 2.94Å; G598-N612 VanDerWaalsContact O-CB 3.27Å; G598-N612 WeakPolarHBondContact O-CB 3.27Å; G598-N612 PolarHBondContact O-ND2 3.02Å; A599-N612 WeakPolarHBondContact O-CB 3.22Å; A599-N612 PolarHBondContact O-N 2.87Å; E601-N612 HydrophobicContact CG-CB 4.06Å; K610-N612 PolarHBondContact O-N 3.21Å; N612-A614 PolarHBondContact O-N 3.38Å; N612-A614 WeakPolarHBondContact OD1-CB 3.23Å; N612-A614 PolarHBondContact OD1-N 3.48Å; N612-A615 HydrophobicContact CB-CB 3.97Å; N612-A615 WeakPolarHBondContact O-CB 3.16Å; N612-A615 PolarHBondContact O-N 2.86Å; N612-A615 VanDerWaalsContact O-N 3.07Å; N612-I616 PolarHBondContact O-N 2.72Å; N612-I616 VanDerWaalsContact O-N 3.14Å
613K96.7Very high87.8Confident166 Ų16678 Ų7872%0.72244%0.44SS*.Hα-helixtrans-59.5-29.6-178.7-65.9-174.2179.2-1770113.4V611 I616 S617V611-K613 PolarHBondContact O-N 3.26Å; K613-I616 PolarHBondContact O-N 3.11Å; K613-S617 WeakPolarHBondContact O-CB 3.41Å; K613-S617 PolarHBondContact O-N 2.81Å; K613-S617 PolarHBondContact O-OG 3.01Å
614A97.4Very high88.3Confident44 Ų4480.3 Ų80.336%0.36444%0.435SS..Hα-helixtrans-69.7-40.617700000111.2M590 N612 I616 S617 I618M590-A614 HydrophobicContact CE-CB 3.81Å; M590-A614 HydrophobicContact SD-CB 4.43Å; N612-A614 PolarHBondContact O-N 3.38Å; N612-A614 WeakPolarHBondContact OD1-CB 3.23Å; N612-A614 PolarHBondContact OD1-N 3.48Å; A614-I616 PolarHBondContact O-N 2.98Å; A614-S617 WeakPolarHBondContact O-CB 3.32Å; A614-S617 PolarHBondContact O-N 3.29Å; A614-I618 WeakPolarHBondContact O-CG1 3.4Å; A614-I618 PolarHBondContact O-N 3.39Å
615A97.2Very high89.2Confident0 Ų078 Ų780%042%0.424CS..Hα-helixtrans-60.4-45.5173.100000111.4M585 N612 S617 I618 F619M585-A615 HydrophobicContact CE-CB 3.5Å; M585-A615 HydrophobicContact SD-CB 4Å; N612-A615 HydrophobicContact CB-CB 3.97Å; N612-A615 WeakPolarHBondContact O-CB 3.16Å; N612-A615 PolarHBondContact O-N 2.86Å; N612-A615 VanDerWaalsContact O-N 3.07Å; A615-S617 VanDerWaalsContact C-N 3.3Å; A615-S617 PolarHBondContact O-N 3.19Å; A615-I618 WeakPolarHBondContact O-CB 3.16Å; A615-I618 PolarHBondContact O-N 3.49Å; A615-F619 WeakPolarHBondContact O-CD2 3.4Å; A615-F619 PolarHBondContact O-N 2.94Å
616I96.9Very high90.4Very high39 Ų3977.1 Ų77.120%0.240%0.402CS..Hα-helixtrans-61.2-39.8176-59.9-54.9000112P531 V611 N612 K613 A614 I618 F619 K620P531-I616 HydrophobicContact CG-CD1 3.55Å; V611-I616 HydrophobicContact CG1-CD1 3.72Å; V611-I616 HydrophobicContact CG1-CG1 3.35Å; N612-I616 PolarHBondContact O-N 2.72Å; N612-I616 VanDerWaalsContact O-N 3.14Å; K613-I616 PolarHBondContact O-N 3.11Å; A614-I616 PolarHBondContact O-N 2.98Å; I616-I618 VanDerWaalsContact C-N 3.31Å; I616-I618 PolarHBondContact O-N 3.05Å; I616-F619 PolarHBondContact O-N 3.19Å; I616-K620 HydrophobicContact CG2-CD 4.22Å; I616-K620 HydrophobicContact CG2-CG 4.42Å; I616-K620 WeakPolarHBondContact O-CG 3.22Å; I616-K620 PolarHBondContact O-N 3.43Å
617S97.9Very high91.5Very high63 Ų6375.4 Ų75.444%0.44139%0.391SS..Hα-helixtrans-62.1-42.4177.5-56.60000110.8K613 A614 A615 K620 E621K613-S617 WeakPolarHBondContact O-CB 3.41Å; K613-S617 PolarHBondContact O-N 2.81Å; K613-S617 PolarHBondContact O-OG 3.01Å; A614-S617 WeakPolarHBondContact O-CB 3.32Å; A614-S617 PolarHBondContact O-N 3.29Å; A615-S617 VanDerWaalsContact C-N 3.3Å; A615-S617 PolarHBondContact O-N 3.19Å; S617-K620 PolarHBondContact O-N 3.09Å; S617-E621 WeakPolarHBondContact O-CG 3.44Å; S617-E621 PolarHBondContact O-N 3.41Å; S617-E621 VanDerWaalsContact O-N 3.17Å
618I98.3Very high92.2Very high17 Ų1767.4 Ų67.49%0.08737%0.366CS..Hα-helixtrans-58.5-49172.9-67.9165.7000110.9P581 K584 M585 M590 A614 A615 I616 K620 E621 Y622P581-I618 HydrophobicContact CB-CG2 4.01Å; P581-I618 WeakPolarHBondContact O-CG2 3.41Å; K584-I618 HydrophobicContact CB-CD1 4.22Å; K584-I618 HydrophobicContact CB-CG1 4.44Å; K584-I618 HydrophobicContact CB-CG2 3.76Å; K584-I618 HydrophobicContact CD-CG2 4.26Å; M585-I618 HydrophobicContact CG-CD1 3.85Å; M585-I618 HydrophobicContact CG-CG2 4.37Å; M590-I618 HydrophobicContact CE-CD1 4.25Å; A614-I618 WeakPolarHBondContact O-CG1 3.4Å; A614-I618 PolarHBondContact O-N 3.39Å; A615-I618 WeakPolarHBondContact O-CB 3.16Å; A615-I618 PolarHBondContact O-N 3.49Å; I616-I618 VanDerWaalsContact C-N 3.31Å; I616-I618 PolarHBondContact O-N 3.05Å; I618-K620 VanDerWaalsContact C-N 3.3Å; I618-K620 PolarHBondContact O-N 3.39Å; I618-E621 WeakPolarHBondContact O-CB 3.5Å; I618-E621 PolarHBondContact O-N 2.8Å; I618-Y622 WeakPolarHBondContact O-CD2 3.24Å
619F97.1Very high92.8Very high11 Ų1167.2 Ų67.25%0.04836%0.364CS..Hα-helixtrans-62.2-35.6178.7-84.2-81000113L522 L525 Q526 P581 M585 A615 I616 E621 Y622 A623L522-F619 HydrophobicContact CD2-CE1 4.27Å; L522-F619 HydrophobicContact CD2-CZ 3.95Å; L525-F619 HydrophobicContact CB-CD1 3.6Å; L525-F619 HydrophobicContact CB-CD2 4.47Å; L525-F619 HydrophobicContact CB-CE1 3.57Å; L525-F619 HydrophobicContact CB-CE2 4.45Å; L525-F619 HydrophobicContact CB-CG 4.08Å; L525-F619 HydrophobicContact CB-CZ 4.03Å; L525-F619 HydrophobicContact CD1-CE1 4.01Å; L525-F619 HydrophobicContact CD1-CE2 3.92Å; L525-F619 HydrophobicContact CD1-CZ 3.6Å; L525-F619 HydrophobicContact CG-CE1 4.46Å; L525-F619 HydrophobicContact CG-CZ 4.48Å; Q526-F619 HydrophobicContact CG-CD1 3.83Å; Q526-F619 HydrophobicContact CG-CE1 4.22Å; P581-F619 HydrophobicContact CB-CD1 3.78Å; P581-F619 HydrophobicContact CB-CE1 3.75Å; P581-F619 HydrophobicContact CB-CG 4.21Å; P581-F619 HydrophobicContact CB-CZ 4.15Å; P581-F619 HydrophobicContact CG-CD1 4.23Å; P581-F619 HydrophobicContact CG-CE1 4.38Å; M585-F619 HydrophobicContact SD-CD2 4.33Å; M585-F619 HydrophobicContact SD-CE2 3.58Å; M585-F619 VanDerWaalsContact SD-CE2 3.58Å; M585-F619 HydrophobicContact SD-CZ 4.37Å; A615-F619 WeakPolarHBondContact O-CD2 3.4Å; A615-F619 PolarHBondContact O-N 2.94Å; I616-F619 PolarHBondContact O-N 3.19Å; F619-E621 VanDerWaalsContact C-N 3.33Å; F619-E621 PolarHBondContact O-N 2.58Å; F619-Y622 CarbonylContact O-C 3.32Å; F619-Y622 VanDerWaalsContact O-C 3.32Å; F619-Y622 PolarHBondContact O-N 3.11Å; F619-Y622 VanDerWaalsContact O-N 3.13Å; F619-A623 PolarHBondContact O-N 3.04Å
620K96.2Very high93.4Very high151 Ų15165.4 Ų65.466%0.65735%0.35SS*.Hα-helixtrans-64.9-32.8176.1-75.7178.2175.8-175.10113.5I616 S617 I618 Y622 A623I616-K620 HydrophobicContact CG2-CD 4.22Å; I616-K620 HydrophobicContact CG2-CG 4.42Å; I616-K620 WeakPolarHBondContact O-CG 3.22Å; I616-K620 PolarHBondContact O-N 3.43Å; S617-K620 PolarHBondContact O-N 3.09Å; I618-K620 VanDerWaalsContact C-N 3.3Å; I618-K620 PolarHBondContact O-N 3.39Å; K620-Y622 PolarHBondContact O-N 2.74Å; K620-A623 WeakPolarHBondContact O-CB 3.36Å; K620-A623 PolarHBondContact O-N 2.92Å
621E97.3Very high93.5Very high116 Ų11662 Ų6254%0.54234%0.342SS..Hα-helixtrans-62.6-23174.4-67.4168.7-155.500112.6K584 S617 I618 F619K584-E621 IonicContact NZ-OE2 3.34Å; K584-E621 PolarHBondContact NZ-OE2 3.26Å; S617-E621 WeakPolarHBondContact O-CG 3.44Å; S617-E621 PolarHBondContact O-N 3.41Å; S617-E621 VanDerWaalsContact O-N 3.17Å; I618-E621 WeakPolarHBondContact O-CB 3.5Å; I618-E621 PolarHBondContact O-N 2.8Å; F619-E621 VanDerWaalsContact C-N 3.33Å; F619-E621 PolarHBondContact O-N 2.58Å
622Y96.6Very high93.5Very high43 Ų4363.9 Ų63.917%0.16935%0.351CS..THydrogen-bonded Turntrans-118.933.4179.5-59.8-93000111.5Q526 R580 P581 K584 I618 F619 K620Q526-Y622 PolarHBondContact NE2-O 3.26Å; R580-Y622 HydrophobicContact CB-CD1 3.95Å; R580-Y622 HydrophobicContact CB-CE1 3.45Å; R580-Y622 VanDerWaalsContact CB-CE1 3.45Å; R580-Y622 HydrophobicContact CB-CE2 4.46Å; R580-Y622 HydrophobicContact CG-CE1 4.24Å; P581-Y622 HydrophobicContact CB-CD2 4.4Å; P581-Y622 HydrophobicContact CG-CD2 3.7Å; P581-Y622 HydrophobicContact CG-CG 3.68Å; K584-Y622 HydrophobicContact CD-CE2 3.99Å; K584-Y622 WeakPolarHBondContact CE-OH 2.87Å; K584-Y622 PolarHBondContact NZ-OH 2.82Å; I618-Y622 WeakPolarHBondContact O-CD2 3.24Å; F619-Y622 CarbonylContact O-C 3.32Å; F619-Y622 VanDerWaalsContact O-C 3.32Å; F619-Y622 PolarHBondContact O-N 3.11Å; F619-Y622 VanDerWaalsContact O-N 3.13Å; K620-Y622 PolarHBondContact O-N 2.74Å
623A95.5Very high93.5Very high69 Ų6966.8 Ų66.857%0.5736%0.364SS*.  trans-56.9142.8-17800000111.8Q526 F619 K620Q526-A623 CarbonylContact O-C 3.58Å; Q526-A623 VanDerWaalsContact O-CA 3.28Å; Q526-A623 WeakPolarHBondContact O-CA 3.46Å; F619-A623 PolarHBondContact O-N 3.04Å; K620-A623 WeakPolarHBondContact O-CB 3.36Å; K620-A623 PolarHBondContact O-N 2.92Å
624K91.8Very high93.5Very high104 Ų10461.6 Ų61.645%0.45234%0.342SS..  trans-116.8142.4175.5-66.1-69.3-176.21750109.1Q526 E527Q526-K624 HydrophobicContact CB-CB 4.24Å; Q526-K624 HydrophobicContact CB-CG 3.86Å; Q526-K624 PolarHBondContact O-N 2.73Å; E527-K624 HydrophobicContact CG-CB 4.35Å
625A86.7Confident93.4Very high77 Ų7761.1 Ų61.164%0.63633%0.331SS*.  trans-69.6138174.900000110.5
626V85.4Confident93.5Very high61 Ų6162 Ų6237%0.3734%0.335SS..  trans-70.7132.8167.9-178.60000108.4E527 D630E527-V626 HydrophobicContact CB-CG2 4.12Å; E527-V626 HydrophobicContact CG-CG2 4.37Å; V626-D630 HydrophobicContact CG1-CB 3.54Å
627R83.6Confident93.5Very high125 Ų12560.2 Ų60.247%0.47233%0.326SS..  trans-115.133.1-175.7-63.8-178.6174.4-127.819.9112.7A701 Y702 D703R627-A701 WeakPolarHBondContact CB-O 3.44Å; R627-Y702 HydrophobicContact CB-CE1 4.35Å; R627-D703 IonicContact CZ-OD1 3.09Å; R627-D703 IonicContact CZ-OD2 3.84Å; R627-D703 IonicContact NE-OD2 2.9Å; R627-D703 IonicContact NH1-OD1 3.66Å; R627-D703 PolarHBondContact NH1-OD1 2.75Å; R627-D703 IonicContact NH1-OD2 2.83Å; R627-D703 PolarHBondContact NH1-OD2 2.85Å; R627-D703 IonicContact NH2-OD2 3.92Å; R627-D703 PolarHBondContact NH2-OD2 3.29Å
628G83.1Confident93.4Very high33 Ų3357.2 Ų57.234%0.3431%0.305SS..SBendtrans77.7-170.8-164.500000112.1D630 Y702G628-D630 VanDerWaalsContact C-N 3.32Å; G628-D630 PolarHBondContact O-N 3.28Å; G628-Y702 PolarHBondContact O-OH 2.79Å
629C87.1Confident93.3Very high19 Ų1956.5 Ų56.513%0.12830%0.301CS..  trans53.447.5-173-59.40000113.2E634 F698 Y702C629-E634 WeakPolarHBondContact CA-OE1 3.2Å; C629-E634 WeakPolarHBondContact CA-OE2 3.5Å; C629-E634 HydrophobicContact CB-CB 4.16Å; C629-E634 HydrophobicContact CB-CG 4.42Å; C629-E634 WeakPolarHBondContact O-CB 3.24Å; C629-F698 HydrophobicContact CB-CD1 3.66Å; C629-F698 HydrophobicContact CB-CE1 3.73Å; C629-Y702 HydrophobicContact CB-CE2 4.26Å
630D90.1Very high93.4Very high73 Ų7356.1 Ų56.139%0.3930%0.3SS..  trans-119.77.6-169.570-40.8000113.9V626 G628 E634 R635V626-D630 HydrophobicContact CG1-CB 3.54Å; G628-D630 VanDerWaalsContact C-N 3.32Å; G628-D630 PolarHBondContact O-N 3.28Å; D630-E634 PolarHBondContact N-OE2 2.87Å; D630-R635 PolarHBondContact O-NE 2.82Å; D630-R635 PolarHBondContact O-NH2 3.2Å
631S95.5Very high93.5Very high52 Ų5248.9 Ų48.936%0.36427%0.269SS..SBendtrans-63.5159.3165.768.20000111.4H633 E634 R635S631-H633 PolarHBondContact O-N 3.11Å; S631-E634 VanDerWaalsContact CB-OE2 3.27Å; S631-E634 WeakPolarHBondContact CB-OE2 3.36Å; S631-E634 PolarHBondContact N-OE2 3.45Å; S631-E634 PolarHBondContact O-N 2.84Å; S631-E634 VanDerWaalsContact O-N 3.13Å; S631-E634 WeakPolarHBondContact OG-CB 3.07Å; S631-E634 VanDerWaalsContact OG-CD 3.23Å; S631-E634 WeakPolarHBondContact OG-CG 3.24Å; S631-E634 PolarHBondContact OG-N 3.26Å; S631-E634 PolarHBondContact OG-OE2 3.14Å; S631-R635 WeakPolarHBondContact O-CG 3.36Å; S631-R635 PolarHBondContact O-N 3.47Å
632D96.3Very high93.5Very high70 Ų7043.7 Ų43.737%0.37424%0.244SC..Hα-helixtrans-49.3-46.9175.3-81.112.5000112.2L537 K540 Q636L537-D632 HydrophobicContact CD2-CB 3.72Å; K540-D632 IonicContact NZ-OD2 2.82Å; D632-Q636 WeakPolarHBondContact O-CB 3.47Å; D632-Q636 VanDerWaalsContact O-CG 3.24Å; D632-Q636 WeakPolarHBondContact O-CG 3.45Å; D632-Q636 PolarHBondContact O-N 3.11Å
633H96.3Very high93.5Very high69 Ų6941.7 Ų41.732%0.31924%0.236SC..Hα-helixtrans-64.2-46.1-180176.873.7000111.2S631 R635 Q636 M637 E694S631-H633 PolarHBondContact O-N 3.11Å; H633-R635 PolarHBondContact O-N 3.25Å; H633-Q636 WeakPolarHBondContact O-CB 3.46Å; H633-Q636 PolarHBondContact O-N 3.04Å; H633-M637 VanDerWaalsContact CE1-CG 3.4Å; H633-M637 WeakPolarHBondContact CE1-CG 3.34Å; H633-M637 WeakPolarHBondContact NE2-CG 3.35Å; H633-M637 WeakPolarHBondContact O-CB 3.45Å; H633-M637 WeakPolarHBondContact O-CG 3.48Å; H633-M637 PolarHBondContact O-N 3.24Å; H633-E694 IonicContact CD2-OE1 2.81Å; H633-E694 IonicContact CE1-OE1 3.84Å; H633-E694 IonicContact NE2-OE1 2.99Å; H633-E694 PolarHBondContact NE2-OE1 3.49Å
634E97Very high93.7Very high57 Ų5738.4 Ų38.427%0.26621%0.209SC..Hα-helixtrans-66.5-39.5-179.8-68.4164.7128.600111.8C629 D630 S631 M637 R638 F698C629-E634 WeakPolarHBondContact CA-OE1 3.2Å; C629-E634 WeakPolarHBondContact CA-OE2 3.5Å; C629-E634 HydrophobicContact CB-CB 4.16Å; C629-E634 HydrophobicContact CB-CG 4.42Å; C629-E634 WeakPolarHBondContact O-CB 3.24Å; D630-E634 PolarHBondContact N-OE2 2.87Å; S631-E634 VanDerWaalsContact CB-OE2 3.27Å; S631-E634 WeakPolarHBondContact CB-OE2 3.36Å; S631-E634 PolarHBondContact N-OE2 3.45Å; S631-E634 PolarHBondContact O-N 2.84Å; S631-E634 VanDerWaalsContact O-N 3.13Å; S631-E634 WeakPolarHBondContact OG-CB 3.07Å; S631-E634 VanDerWaalsContact OG-CD 3.23Å; S631-E634 WeakPolarHBondContact OG-CG 3.24Å; S631-E634 PolarHBondContact OG-N 3.26Å; S631-E634 PolarHBondContact OG-OE2 3.14Å; E634-M637 PolarHBondContact O-N 3.06Å; E634-R638 WeakPolarHBondContact O-CB 3.33Å; E634-R638 WeakPolarHBondContact O-CG 3.45Å; E634-R638 PolarHBondContact O-N 3Å; E634-F698 HydrophobicContact CB-CE1 4Å; E634-F698 HydrophobicContact CB-CZ 4.24Å; E634-F698 HydrophobicContact CG-CE1 4.09Å; E634-F698 HydrophobicContact CG-CZ 4.43Å
635R96.6Very high94Very high34 Ų3433.6 Ų33.613%0.12819%0.189CC..Hα-helixtrans-63-42.1173.7-68.8176.6179.2162.56.6111.8L524 E533 L537 D630 S631 H633 M639L524-R635 HydrophobicContact CD1-CB 4.47Å; L524-R635 HydrophobicContact CD2-CB 4.22Å; L524-R635 HydrophobicContact CD2-CG 3.83Å; E533-R635 IonicContact OE1-NH1 3.24Å; E533-R635 PolarHBondContact OE1-NH1 3.32Å; L537-R635 HydrophobicContact CD1-CB 3.82Å; D630-R635 PolarHBondContact O-NE 2.82Å; D630-R635 PolarHBondContact O-NH2 3.2Å; S631-R635 WeakPolarHBondContact O-CG 3.36Å; S631-R635 PolarHBondContact O-N 3.47Å; H633-R635 PolarHBondContact O-N 3.25Å; R635-M639 WeakPolarHBondContact O-CE 3.5Å; R635-M639 PolarHBondContact O-N 2.91Å
636Q97.7Very high94.5Very high19 Ų1930.2 Ų30.29%0.08916%0.16CC..Hα-helixtrans-60.3-50172.8-74.7172.9-43.400110.8L537 F541 D632 H633 R638 M639 V640L537-Q636 HydrophobicContact CB-CG 3.96Å; L537-Q636 HydrophobicContact CD2-CG 4.3Å; L537-Q636 PolarHBondContact O-NE2 2.64Å; F541-Q636 HydrophobicContact CB-CG 4.48Å; F541-Q636 HydrophobicContact CD2-CB 4.04Å; F541-Q636 HydrophobicContact CD2-CG 4.4Å; D632-Q636 WeakPolarHBondContact O-CB 3.47Å; D632-Q636 VanDerWaalsContact O-CG 3.24Å; D632-Q636 WeakPolarHBondContact O-CG 3.45Å; D632-Q636 PolarHBondContact O-N 3.11Å; H633-Q636 WeakPolarHBondContact O-CB 3.46Å; H633-Q636 PolarHBondContact O-N 3.04Å; Q636-R638 PolarHBondContact O-N 2.85Å; Q636-M639 PolarHBondContact O-N 2.83Å; Q636-V640 WeakPolarHBondContact O-CG2 3.3Å; Q636-V640 PolarHBondContact O-N 3.18Å
637M97.5Very high95.2Very high1 Ų127.3 Ų27.31%0.00514%0.142CC..Hα-helixtrans-69.1-33.4-176.5-71.3-49.3-58.900113.2F541 H633 E634 M639 V640 C641 F682 Y686 L691 E694 F698F541-M637 HydrophobicContact CE2-SD 3.97Å; H633-M637 VanDerWaalsContact CE1-CG 3.4Å; H633-M637 WeakPolarHBondContact CE1-CG 3.34Å; H633-M637 WeakPolarHBondContact NE2-CG 3.35Å; H633-M637 WeakPolarHBondContact O-CB 3.45Å; H633-M637 WeakPolarHBondContact O-CG 3.48Å; H633-M637 PolarHBondContact O-N 3.24Å; E634-M637 PolarHBondContact O-N 3.06Å; M637-M639 VanDerWaalsContact C-N 3.25Å; M637-M639 PolarHBondContact O-N 3.41Å; M637-V640 HydrophobicContact CE-CG1 4.47Å; M637-V640 PolarHBondContact O-N 3.43Å; M637-V640 HydrophobicContact SD-CB 4.47Å; M637-C641 WeakPolarHBondContact O-CB 3.38Å; M637-C641 PolarHBondContact O-N 2.9Å; M637-C641 PolarHBondContact O-SG 2.77Å; M637-F682 HydrophobicContact CE-CZ 4.38Å; M637-Y686 HydrophobicContact CE-CE1 3.89Å; M637-L691 HydrophobicContact CE-CD1 3.29Å; M637-E694 WeakPolarHBondContact CE-OE2 3.43Å; M637-E694 WeakPolarHBondContact CG-OE2 3.32Å; M637-F698 HydrophobicContact CB-CE2 3.99Å; M637-F698 HydrophobicContact CB-CZ 4.01Å
638R96.4Very high95.9Very high0 Ų021.4 Ų21.40%012%0.119CC..Hα-helixtrans-55.5-42.2171.2-77.6164.854.4179.92.2111.6E520 R523 E527 E634 Q636 C641 R642 F698 Y702 F708E520-R638 HydrophobicContact CG-CB 3.9Å; E520-R638 IonicContact OE1-CZ 3.85Å; E520-R638 IonicContact OE1-NE 2.96Å; E520-R638 PolarHBondContact OE1-NE 2.99Å; E520-R638 IonicContact OE1-NH2 3.9Å; E520-R638 PolarHBondContact OE1-NH2 2.84Å; R523-R638 VanDerWaalsContact NE-NH2 3.17Å; R523-R638 VanDerWaalsContact NH2-CZ 3.29Å; R523-R638 VanDerWaalsContact NH2-NE 3.19Å; E527-R638 VanDerWaalsContact CD-NH2 3.33Å; E527-R638 IonicContact OE1-CZ 3.48Å; E527-R638 IonicContact OE1-NH1 2.86Å; E527-R638 IonicContact OE1-NH2 2.74Å; E527-R638 PolarHBondContact OE1-NH2 2.63Å; E527-R638 IonicContact OE2-CZ 2.89Å; E527-R638 IonicContact OE2-NH1 2.95Å; E527-R638 PolarHBondContact OE2-NH1 3.22Å; E527-R638 IonicContact OE2-NH2 2.72Å; E527-R638 PolarHBondContact OE2-NH2 3.24Å; E527-R638 VanDerWaalsContact OE2-NH2 3.17Å; E634-R638 WeakPolarHBondContact O-CB 3.33Å; E634-R638 WeakPolarHBondContact O-CG 3.45Å; E634-R638 PolarHBondContact O-N 3Å; Q636-R638 PolarHBondContact O-N 2.85Å; R638-C641 PolarHBondContact O-SG 2.87Å; R638-R642 WeakPolarHBondContact O-CG 3.47Å; R638-F698 HydrophobicContact CG-CD1 4.07Å; R638-F698 HydrophobicContact CG-CD2 3.79Å; R638-F698 HydrophobicContact CG-CE1 4.13Å; R638-F698 HydrophobicContact CG-CE2 3.85Å; R638-F698 HydrophobicContact CG-CG 3.92Å; R638-F698 HydrophobicContact CG-CZ 4.02Å; R638-Y702 PolarHBondContact NH1-OH 2.89Å; R638-F708 HydrophobicContact CB-CE1 4.17Å; R638-F708 HydrophobicContact CB-CZ 4.15Å; R638-F708 HydrophobicContact CG-CE1 4.22Å; R638-F708 HydrophobicContact CG-CZ 3.94Å
639M96.5Very high96.6Very high2 Ų220.7 Ų20.71%0.0111%0.108CC..Hα-helixtrans-73.6-47.5177.6-63.3-176.4-70.500111.6M517 E520 M521 L524 L534 F547 R635 Q636 M637 F643M517-M639 HydrophobicContact CG-CB 4.13Å; E520-M639 HydrophobicContact CB-CG 3.94Å; E520-M639 HydrophobicContact CG-CB 4.43Å; E520-M639 HydrophobicContact CG-CG 3.72Å; M521-M639 HydrophobicContact CB-SD 4.28Å; L524-M639 HydrophobicContact CD1-CE 4.1Å; L524-M639 HydrophobicContact CD1-CG 3.81Å; L524-M639 HydrophobicContact CD1-SD 3.65Å; L534-M639 HydrophobicContact CD2-CE 4.46Å; L534-M639 HydrophobicContact CD2-SD 4.01Å; F547-M639 HydrophobicContact CD2-CE 4.05Å; F547-M639 HydrophobicContact CD2-SD 3.49Å; F547-M639 WeakPolarHBondContact CD2-SD 3.4Å; F547-M639 HydrophobicContact CE2-CB 4.12Å; F547-M639 HydrophobicContact CE2-CE 4.02Å; F547-M639 HydrophobicContact CE2-SD 3.8Å; R635-M639 WeakPolarHBondContact O-CE 3.5Å; R635-M639 PolarHBondContact O-N 2.91Å; Q636-M639 PolarHBondContact O-N 2.83Å; M637-M639 VanDerWaalsContact C-N 3.25Å; M637-M639 PolarHBondContact O-N 3.41Å; M639-F643 PolarHBondContact O-N 3.04Å
640V97.9Very high97.2Very high3 Ų319.8 Ų19.82%0.01810%0.102CC..Hα-helixtrans-69.7-40-175173.30000111.9F541 F543 Q636 M637 R642 F643 V644 F682F541-V640 HydrophobicContact CD1-CG2 3.98Å; F541-V640 HydrophobicContact CD2-CG2 4.23Å; F541-V640 HydrophobicContact CE1-CG1 4.12Å; F541-V640 HydrophobicContact CE1-CG2 3.7Å; F541-V640 HydrophobicContact CE2-CG2 3.97Å; F541-V640 HydrophobicContact CG-CG2 4.24Å; F541-V640 HydrophobicContact CZ-CB 4.23Å; F541-V640 HydrophobicContact CZ-CG1 3.79Å; F541-V640 HydrophobicContact CZ-CG2 3.71Å; F543-V640 HydrophobicContact CE2-CG2 4.07Å; Q636-V640 WeakPolarHBondContact O-CG2 3.3Å; Q636-V640 PolarHBondContact O-N 3.18Å; M637-V640 HydrophobicContact CE-CG1 4.47Å; M637-V640 PolarHBondContact O-N 3.43Å; M637-V640 HydrophobicContact SD-CB 4.47Å; V640-R642 VanDerWaalsContact C-N 3.31Å; V640-R642 PolarHBondContact O-N 2.77Å; V640-F643 WeakPolarHBondContact O-CB 3.45Å; V640-F643 PolarHBondContact O-N 2.75Å; V640-V644 HydrophobicContact CG1-CG2 3.98Å; V640-V644 WeakPolarHBondContact O-CB 3.32Å; V640-V644 VanDerWaalsContact O-CG2 3.29Å; V640-V644 WeakPolarHBondContact O-CG2 3.29Å; V640-V644 PolarHBondContact O-N 3.32Å; V640-F682 HydrophobicContact CG1-CE1 4.2Å; V640-F682 HydrophobicContact CG1-CZ 4.46Å
641C98Very high97.6Very high0 Ų017.9 Ų17.90%09%0.091CC..Hα-helixtrans-65.2-36-179.477.90000111.4M637 R638 V644 N645 L691 M695M637-C641 WeakPolarHBondContact O-CB 3.38Å; M637-C641 PolarHBondContact O-N 2.9Å; M637-C641 PolarHBondContact O-SG 2.77Å; R638-C641 PolarHBondContact O-SG 2.87Å; C641-V644 PolarHBondContact O-N 2.91Å; C641-N645 WeakPolarHBondContact O-CB 3.45Å; C641-N645 PolarHBondContact O-N 3.33Å; C641-L691 HydrophobicContact CB-CD1 3.75Å; C641-L691 HydrophobicContact CB-CG 4.32Å; C641-M695 HydrophobicContact CB-CG 3.66Å; C641-M695 HydrophobicContact CB-SD 4.04Å
642R97.1Very high97.7Very high6 Ų619.1 Ų19.12%0.0239%0.091CC..Hα-helixtrans-67-38.8174.2-72.2-178.866.21794.7111.8S516 E520 R638 V640 E646 F708S516-R642 PolarHBondContact O-NE 3.09Å; S516-R642 VanDerWaalsContact O-NE 3.15Å; S516-R642 PolarHBondContact O-NH2 3.2Å; S516-R642 VanDerWaalsContact OG-C 3.26Å; S516-R642 PolarHBondContact OG-O 3.38Å; E520-R642 IonicContact OE2-CZ 3.8Å; E520-R642 IonicContact OE2-NH1 2.71Å; E520-R642 PolarHBondContact OE2-NH1 2.92Å; R638-R642 WeakPolarHBondContact O-CG 3.47Å; V640-R642 VanDerWaalsContact C-N 3.31Å; V640-R642 PolarHBondContact O-N 2.77Å; R642-E646 VanDerWaalsContact O-CB 3.24Å; R642-E646 WeakPolarHBondContact O-CB 3.45Å; R642-E646 PolarHBondContact O-N 2.96Å; R642-E646 VanDerWaalsContact O-N 3.16Å; R642-F708 HydrophobicContact CG-CD1 4.02Å; R642-F708 HydrophobicContact CG-CE1 3.85Å
643F98.1Very high97.8Very high1 Ų119.7 Ų19.70%0.0049%0.092CC..Hα-helixtrans-61.6-51.5173.2-170.7-72.8000111.1I513 M517 M639 V640 A647 A666 L670 F672 P679I513-F643 HydrophobicContact CD1-CE1 3.76Å; I513-F643 HydrophobicContact CD1-CE2 4.4Å; I513-F643 HydrophobicContact CD1-CZ 3.66Å; I513-F643 HydrophobicContact CG1-CE1 4.17Å; I513-F643 HydrophobicContact CG1-CE2 4.07Å; I513-F643 HydrophobicContact CG1-CZ 3.83Å; I513-F643 WeakPolarHBondContact O-CD2 3.35Å; M517-F643 HydrophobicContact CB-CB 4.2Å; M517-F643 HydrophobicContact CB-CD2 4.02Å; M517-F643 HydrophobicContact CG-CD2 4.44Å; M517-F643 HydrophobicContact SD-CD2 3.93Å; M639-F643 PolarHBondContact O-N 3.04Å; V640-F643 WeakPolarHBondContact O-CB 3.45Å; V640-F643 PolarHBondContact O-N 2.75Å; F643-A647 PolarHBondContact O-N 2.85Å; F643-A666 HydrophobicContact CE1-CB 3.84Å; F643-A666 HydrophobicContact CZ-CB 3.94Å; F643-L670 HydrophobicContact CE2-CB 4.39Å; F643-L670 HydrophobicContact CE2-CD1 3.87Å; F643-L670 HydrophobicContact CZ-CB 4.31Å; F643-L670 HydrophobicContact CZ-CD1 3.73Å; F643-F672 AromaticContact CD1-CD2 3.86Å; F643-F672 HydrophobicContact CD1-CD2 3.86Å; F643-F672 HydrophobicContact CD1-CE2 4.02Å; F643-F672 AromaticContact CE1-CD2 3.58Å; F643-F672 HydrophobicContact CE1-CD2 3.58Å; F643-F672 HydrophobicContact CE1-CE2 4.18Å; F643-F672 HydrophobicContact CE1-CG 4.45Å; F643-F672 HydrophobicContact CZ-CD2 4.07Å; F643-P679 HydrophobicContact CE1-CG 4.35Å
644V98.7Very high97.8Very high0 Ų017.4 Ų17.40%09%0.086CC..Hα-helixtrans-68.8-46-174.9171.10000111.4V640 C641 E646 A647 V648 F672 P679 F682 L683 L691V640-V644 HydrophobicContact CG1-CG2 3.98Å; V640-V644 WeakPolarHBondContact O-CB 3.32Å; V640-V644 VanDerWaalsContact O-CG2 3.29Å; V640-V644 WeakPolarHBondContact O-CG2 3.29Å; V640-V644 PolarHBondContact O-N 3.32Å; C641-V644 PolarHBondContact O-N 2.91Å; V644-E646 VanDerWaalsContact C-N 3.32Å; V644-E646 PolarHBondContact O-N 3.25Å; V644-A647 WeakPolarHBondContact O-CB 3.45Å; V644-A647 PolarHBondContact O-N 3.2Å; V644-A647 VanDerWaalsContact O-N 3.14Å; V644-V648 WeakPolarHBondContact O-CG2 3.49Å; V644-V648 PolarHBondContact O-N 2.84Å; V644-F672 HydrophobicContact CG2-CE2 4.13Å; V644-F672 HydrophobicContact CG2-CZ 4.32Å; V644-P679 HydrophobicContact CB-CB 4.45Å; V644-P679 HydrophobicContact CG1-CB 4.44Å; V644-P679 HydrophobicContact CG2-CB 4Å; V644-F682 HydrophobicContact CG2-CD1 3.95Å; V644-F682 HydrophobicContact CG2-CE1 4.26Å; V644-L683 HydrophobicContact CG1-CD1 3.52Å; V644-L683 HydrophobicContact CG1-CD2 3.8Å; V644-L683 HydrophobicContact CG1-CG 3.52Å; V644-L691 HydrophobicContact CB-CD2 4.24Å; V644-L691 HydrophobicContact CG1-CD2 3.71Å
645N98.6Very high97.8Very high4 Ų414.9 Ų14.92%0.0218%0.075CC..Hα-helixtrans-60.7-42.9177.4-175.550.4000111.4C641 A647 V648 M649 M695 V709 P710 C711 L714C641-N645 WeakPolarHBondContact O-CB 3.45Å; C641-N645 PolarHBondContact O-N 3.33Å; N645-A647 VanDerWaalsContact C-N 3.28Å; N645-A647 PolarHBondContact O-N 3.3Å; N645-V648 PolarHBondContact O-N 3.47Å; N645-M649 WeakPolarHBondContact O-CB 3.47Å; N645-M649 PolarHBondContact O-N 3.3Å; N645-M695 HydrophobicContact CB-CE 3.58Å; N645-M695 HydrophobicContact CB-SD 4.2Å; N645-V709 PolarHBondContact ND2-O 3.49Å; N645-P710 WeakPolarHBondContact OD1-CA 3.49Å; N645-C711 PolarHBondContact OD1-N 3.4Å; N645-L714 HydrophobicContact CB-CD2 4.3Å
646E98.2Very high97.9Very high6 Ų613.3 Ų13.33%0.0287%0.069CC..Hα-helixtrans-65.7-34.4177.7-159.968.9-16100111.2R512 I513 R573 M574 R642 V644 M649 C650R512-E646 HydrophobicContact CG-CG 3.82Å; R512-E646 IonicContact CZ-OE1 2.82Å; R512-E646 VanDerWaalsContact CZ-OE1 3.23Å; R512-E646 IonicContact NE-OE1 2.75Å; R512-E646 PolarHBondContact NE-OE1 2.82Å; R512-E646 IonicContact NH2-OE1 3.66Å; R512-E646 PolarHBondContact NH2-OE1 3.45Å; I513-E646 HydrophobicContact CB-CB 4.49Å; I513-E646 HydrophobicContact CG2-CB 4Å; I513-E646 HydrophobicContact CG2-CG 4.1Å; R573-E646 IonicContact CZ-OE1 3.46Å; R573-E646 IonicContact NE-OE1 2.75Å; R573-E646 IonicContact NE-OE2 3.84Å; R573-E646 IonicContact NH2-OE1 2.79Å; R573-E646 PolarHBondContact NH2-OE1 2.93Å; M574-E646 HydrophobicContact CE-CG 3.81Å; M574-E646 VanDerWaalsContact CE-OE1 3.31Å; M574-E646 WeakPolarHBondContact CE-OE1 3.37Å; M574-E646 WeakPolarHBondContact CE-OE2 3.31Å; R642-E646 VanDerWaalsContact O-CB 3.24Å; R642-E646 WeakPolarHBondContact O-CB 3.45Å; R642-E646 PolarHBondContact O-N 2.96Å; R642-E646 VanDerWaalsContact O-N 3.16Å; V644-E646 VanDerWaalsContact C-N 3.32Å; V644-E646 PolarHBondContact O-N 3.25Å; E646-M649 PolarHBondContact O-N 2.95Å; E646-C650 PolarHBondContact O-N 2.83Å; E646-C650 PolarHBondContact O-SG 3.49Å; E646-C650 VanDerWaalsContact O-SG 3.38Å
647A98.8Very high97.5Very high0 Ų016.6 Ų16.60%09%0.091CC..Hα-helixtrans-63.4-46173.100000112.3Y509 I513 F643 V644 N645 M649 C650 L651 P679 F680Y509-A647 HydrophobicContact CE2-CB 4.01Å; I513-A647 HydrophobicContact CG2-CB 4.07Å; F643-A647 PolarHBondContact O-N 2.85Å; V644-A647 WeakPolarHBondContact O-CB 3.45Å; V644-A647 PolarHBondContact O-N 3.2Å; V644-A647 VanDerWaalsContact O-N 3.14Å; N645-A647 VanDerWaalsContact C-N 3.28Å; N645-A647 PolarHBondContact O-N 3.3Å; A647-M649 VanDerWaalsContact C-N 3.3Å; A647-M649 PolarHBondContact O-N 3.1Å; A647-C650 WeakPolarHBondContact O-CB 3.44Å; A647-C650 PolarHBondContact O-N 3.43Å; A647-L651 PolarHBondContact O-N 3.07Å; A647-L651 VanDerWaalsContact O-N 3.14Å; A647-P679 HydrophobicContact CB-CB 3.97Å; A647-P679 HydrophobicContact CB-CG 3.88Å; A647-F680 HydrophobicContact CB-CE2 4.23Å; A647-F680 HydrophobicContact CB-CZ 4.28Å; A647-F680 WeakPolarHBondContact O-CZ 3.34Å
648V98.8Very high97.4Very high0 Ų018.3 Ų18.30%010%0.102CC..Hα-helixtrans-64.4-37.9175.8-178.30000111V644 N645 L651 Q652 F680 L683 C711 L713 L714 F725V644-V648 WeakPolarHBondContact O-CG2 3.49Å; V644-V648 PolarHBondContact O-N 2.84Å; N645-V648 PolarHBondContact O-N 3.47Å; V648-L651 WeakPolarHBondContact O-CB 3.47Å; V648-L651 PolarHBondContact O-N 3.26Å; V648-L651 VanDerWaalsContact O-N 3.11Å; V648-Q652 PolarHBondContact O-N 3.39Å; V648-F680 HydrophobicContact CG2-CD1 4.44Å; V648-F680 HydrophobicContact CG2-CE1 4.05Å; V648-L683 HydrophobicContact CG2-CD1 3.37Å; V648-C711 VanDerWaalsContact CG1-SG 3.57Å; V648-L713 HydrophobicContact CG1-CB 3.89Å; V648-L713 HydrophobicContact CG1-CD2 3.77Å; V648-L713 HydrophobicContact CG1-CG 3.75Å; V648-L714 HydrophobicContact CG1-CB 4.14Å; V648-F725 HydrophobicContact CG1-CZ 4Å; V648-F725 HydrophobicContact CG2-CE2 4.41Å; V648-F725 HydrophobicContact CG2-CZ 4.05Å
649M98.1Very high97.5Very high19 Ų1919.5 Ų19.59%0.09411%0.11CC..Hα-helixtrans-64.4-40.3175.5-166.3179.7-71.200111.9R573 N645 E646 A647 L651 Q652 E653 C711R573-M649 PolarHBondContact NH1-SD 3.09Å; N645-M649 WeakPolarHBondContact O-CB 3.47Å; N645-M649 PolarHBondContact O-N 3.3Å; E646-M649 PolarHBondContact O-N 2.95Å; A647-M649 VanDerWaalsContact C-N 3.3Å; A647-M649 PolarHBondContact O-N 3.1Å; M649-L651 PolarHBondContact O-N 3.34Å; M649-Q652 PolarHBondContact O-N 2.76Å; M649-E653 HydrophobicContact CG-CG 4.48Å; M649-E653 WeakPolarHBondContact CG-OE1 3.22Å; M649-E653 WeakPolarHBondContact O-CB 3.35Å; M649-E653 WeakPolarHBondContact O-CG 3.44Å; M649-E653 PolarHBondContact O-N 2.89Å; M649-C711 HydrophobicContact CB-CB 4.1Å; M649-C711 HydrophobicContact CE-CB 3.66Å; M649-C711 HydrophobicContact CG-CB 4.2Å
650C98.5Very high97.5Very high0 Ų020.4 Ų20.40%012%0.118CC..Hα-helixtrans-60.5-33.5171.2-75.50000112.6Y509 R512 E646 A647 G654 V655 I656Y509-C650 HydrophobicContact CD2-CB 3.66Å; Y509-C650 HydrophobicContact CE2-CB 4.1Å; R512-C650 PolarHBondContact NE-SG 2.83Å; E646-C650 PolarHBondContact O-N 2.83Å; E646-C650 PolarHBondContact O-SG 3.49Å; E646-C650 VanDerWaalsContact O-SG 3.38Å; A647-C650 WeakPolarHBondContact O-CB 3.44Å; A647-C650 PolarHBondContact O-N 3.43Å; C650-G654 PolarHBondContact O-N 2.77Å; C650-V655 HydrophobicContact CB-CB 4.02Å; C650-V655 HydrophobicContact CB-CG1 4.48Å; C650-V655 WeakPolarHBondContact O-CA 3.44Å; C650-V655 WeakPolarHBondContact O-CB 3.19Å; C650-V655 PolarHBondContact O-N 3.3Å; C650-I656 HydrophobicContact CB-CG1 4.45Å; C650-I656 PolarHBondContact O-N 3.04Å
651L98.6Very high97.4Very high33 Ų3321.6 Ų21.617%0.17312%0.124CC..Hα-helixtrans-70.8-45172.3-178.165.7000111.5A647 V648 M649 E653 G654 I656 P659 F680 L713 F725A647-L651 PolarHBondContact O-N 3.07Å; A647-L651 VanDerWaalsContact O-N 3.14Å; V648-L651 WeakPolarHBondContact O-CB 3.47Å; V648-L651 PolarHBondContact O-N 3.26Å; V648-L651 VanDerWaalsContact O-N 3.11Å; M649-L651 PolarHBondContact O-N 3.34Å; L651-E653 VanDerWaalsContact C-N 3.33Å; L651-E653 PolarHBondContact O-N 3.04Å; L651-G654 WeakPolarHBondContact O-CA 3.28Å; L651-G654 PolarHBondContact O-N 3.01Å; L651-I656 HydrophobicContact CB-CD1 4.22Å; L651-I656 HydrophobicContact CB-CG1 4.11Å; L651-I656 HydrophobicContact CD1-CD1 4.49Å; L651-I656 HydrophobicContact CD1-CG1 4.16Å; L651-P659 HydrophobicContact CD2-CG 3.78Å; L651-F680 HydrophobicContact CB-CE1 4.02Å; L651-F680 HydrophobicContact CB-CZ 3.98Å; L651-F680 HydrophobicContact CD2-CD1 4.27Å; L651-F680 HydrophobicContact CD2-CE1 3.56Å; L651-F680 HydrophobicContact CD2-CZ 4.19Å; L651-F680 HydrophobicContact CG-CE1 4.43Å; L651-L713 HydrophobicContact CB-CD2 4.42Å; L651-L713 HydrophobicContact CD2-CD2 4.04Å; L651-L713 HydrophobicContact CG-CD2 4.2Å; L651-F725 HydrophobicContact CD2-CD1 4.11Å; L651-F725 HydrophobicContact CD2-CE1 3.79Å
652Q98.3Very high97.5Very high78 Ų7821.6 Ų21.636%0.36412%0.124SC..Hα-helixtrans-58.3-42.7177.9178.4177.3-40.500112.1V648 M649 G654 D712 L713V648-Q652 PolarHBondContact O-N 3.39Å; M649-Q652 PolarHBondContact O-N 2.76Å; Q652-G654 PolarHBondContact O-N 3.35Å; Q652-D712 PolarHBondContact NE2-OD2 3.49Å; Q652-L713 HydrophobicContact CB-CB 4.03Å; Q652-L713 HydrophobicContact CB-CD2 4.13Å; Q652-L713 HydrophobicContact CG-CB 4.28Å
653E97.4Very high97.5Very high82 Ų8221.3 Ų21.338%0.38312%0.122SC..THydrogen-bonded Turntrans-77.4-5.2176.9-66.5174-158.600112.7R512 M649 L651 V655R512-E653 IonicContact CZ-OE1 2.59Å; R512-E653 IonicContact CZ-OE2 3.18Å; R512-E653 IonicContact NH1-OE1 2.73Å; R512-E653 IonicContact NH1-OE2 3.15Å; R512-E653 PolarHBondContact NH1-OE2 3.42Å; R512-E653 VanDerWaalsContact NH2-CD 3.3Å; R512-E653 IonicContact NH2-OE1 3.18Å; R512-E653 PolarHBondContact NH2-OE1 2.79Å; R512-E653 IonicContact NH2-OE2 2.82Å; R512-E653 PolarHBondContact NH2-OE2 3.48Å; M649-E653 HydrophobicContact CG-CG 4.48Å; M649-E653 WeakPolarHBondContact CG-OE1 3.22Å; M649-E653 WeakPolarHBondContact O-CB 3.35Å; M649-E653 WeakPolarHBondContact O-CG 3.44Å; M649-E653 PolarHBondContact O-N 2.89Å; L651-E653 VanDerWaalsContact C-N 3.33Å; L651-E653 PolarHBondContact O-N 3.04Å; E653-V655 VanDerWaalsContact C-N 3.26Å; E653-V655 HydrophobicContact CB-CG2 4.13Å; E653-V655 PolarHBondContact O-N 2.92Å
654G97Very high97.6Very high20 Ų2021.2 Ų21.221%0.20612%0.122CC..THydrogen-bonded Turntrans65.127.5-176.700000113.5K503 C650 L651 Q652K503-G654 WeakPolarHBondContact CD-O 2.97Å; K503-G654 WeakPolarHBondContact CE-O 3.43Å; K503-G654 WeakPolarHBondContact CG-O 3.2Å; K503-G654 PolarHBondContact NZ-O 3.39Å; K503-G654 VanDerWaalsContact NZ-O 3.1Å; C650-G654 PolarHBondContact O-N 2.77Å; L651-G654 WeakPolarHBondContact O-CA 3.28Å; L651-G654 PolarHBondContact O-N 3.01Å; Q652-G654 PolarHBondContact O-N 3.35Å
655V97.4Very high97.5Very high5 Ų521.2 Ų21.23%0.0312%0.122CC..SBendtrans-63.7-46.9169.8176.30000109.3A502 K503 C650 E653A502-V655 CarbonylContact C-O 3.59Å; A502-V655 WeakPolarHBondContact CA-O 3.44Å; A502-V655 HydrophobicContact CB-CG1 4.29Å; K503-V655 PolarHBondContact N-O 3.1Å; C650-V655 HydrophobicContact CB-CB 4.02Å; C650-V655 HydrophobicContact CB-CG1 4.48Å; C650-V655 WeakPolarHBondContact O-CA 3.44Å; C650-V655 WeakPolarHBondContact O-CB 3.19Å; C650-V655 PolarHBondContact O-N 3.3Å; E653-V655 VanDerWaalsContact C-N 3.26Å; E653-V655 HydrophobicContact CB-CG2 4.13Å; E653-V655 PolarHBondContact O-N 2.92Å
656I97.6Very high97.5Very high1 Ų121 Ų211%0.00512%0.121CC..BIsolated β-bridgetrans-101.8153.8167.756.8170.8000110.3Y509 C650 L651 F680Y509-I656 HydrophobicContact CD1-CG2 4Å; Y509-I656 HydrophobicContact CD2-CD1 4.19Å; Y509-I656 HydrophobicContact CD2-CG1 4.48Å; Y509-I656 HydrophobicContact CD2-CG2 3.55Å; Y509-I656 HydrophobicContact CE2-CD1 3.79Å; Y509-I656 HydrophobicContact CE2-CG2 4.17Å; Y509-I656 HydrophobicContact CG-CG2 3.44Å; Y509-I656 VanDerWaalsContact CG-CG2 3.44Å; C650-I656 HydrophobicContact CB-CG1 4.45Å; C650-I656 PolarHBondContact O-N 3.04Å; L651-I656 HydrophobicContact CB-CD1 4.22Å; L651-I656 HydrophobicContact CB-CG1 4.11Å; L651-I656 HydrophobicContact CD1-CD1 4.49Å; L651-I656 HydrophobicContact CD1-CG1 4.16Å; I656-F680 HydrophobicContact CD1-CE2 3.85Å; I656-F680 HydrophobicContact CD1-CZ 3.77Å
657T90Very high97.6Very high88 Ų8821.3 Ų21.354%0.5412%0.123SC..SBendtrans-92.3-18.2-174.455.60000114Q661T657-Q661 PolarHBondContact OG1-NE2 2.82Å
658S95.9Very high97.5Very high36 Ų3623.4 Ų23.425%0.25213%0.132SC..  trans-156.4154.1177.771.10000112.5A660 Q661 G662S658-A660 PolarHBondContact O-N 3.4Å; S658-Q661 PolarHBondContact O-N 3.4Å; S658-Q661 PolarHBondContact OG-N 2.9Å; S658-G662 PolarHBondContact O-N 2.63Å
659P97.5Very high97.4Very high25 Ų2523.7 Ų23.716%0.16214%0.135CC..Hα-helixtrans-51.6-40.7170.5-28.234.9000112.9L651 Q661 G662 D663 F680 F725 Y726L651-P659 HydrophobicContact CD2-CG 3.78Å; P659-Q661 PolarHBondContact O-N 3.19Å; P659-G662 WeakPolarHBondContact O-CA 3.48Å; P659-G662 PolarHBondContact O-N 3.42Å; P659-D663 PolarHBondContact O-N 3.33Å; P659-F680 HydrophobicContact CB-CB 3.89Å; P659-F680 HydrophobicContact CB-CD1 3.88Å; P659-F680 HydrophobicContact CB-CD2 4.15Å; P659-F680 HydrophobicContact CB-CE1 4.48Å; P659-F680 HydrophobicContact CB-CG 3.7Å; P659-F680 HydrophobicContact CG-CD1 4.34Å; P659-F680 WeakPolarHBondContact O-CD2 3.39Å; P659-F725 HydrophobicContact CB-CB 4.23Å; P659-F725 HydrophobicContact CB-CD1 4.42Å; P659-F725 HydrophobicContact CG-CB 4.18Å; P659-F725 HydrophobicContact CG-CD1 3.83Å; P659-F725 HydrophobicContact CG-CG 4.38Å; P659-Y726 HydrophobicContact CB-CE1 4.13Å; P659-Y726 HydrophobicContact CB-CE2 4.31Å; P659-Y726 VanDerWaalsContact CB-OH 3.31Å; P659-Y726 WeakPolarHBondContact CB-OH 3.31Å; P659-Y726 PolarHBondContact O-OH 2.89Å
660A96.5Very high97.3Very high22 Ų2224 Ų2418%0.18214%0.137CC..Hα-helixtrans-61.5-41.9-177.200000113A308 S658 G662 D663 I664 Y726A308-A660 HydrophobicContact CB-CB 4.14Å; S658-A660 PolarHBondContact O-N 3.4Å; A660-G662 VanDerWaalsContact C-N 3.3Å; A660-D663 PolarHBondContact O-N 3.44Å; A660-I664 VanDerWaalsContact O-CG1 3.28Å; A660-I664 WeakPolarHBondContact O-CG1 3.35Å; A660-I664 PolarHBondContact O-N 2.81Å; A660-I664 VanDerWaalsContact O-N 3.07Å; A660-Y726 VanDerWaalsContact CA-OH 3.23Å; A660-Y726 WeakPolarHBondContact CA-OH 3.35Å; A660-Y726 HydrophobicContact CB-CE1 4.41Å; A660-Y726 PolarHBondContact N-OH 2.72Å
661Q97.2Very high97.1Very high27 Ų2724.7 Ų24.713%0.12615%0.145CC..Hα-helixtrans-67.3-35.7174.1-71.2-167.13100111.7I500 T501 T657 S658 P659 I664 G665I500-Q661 HydrophobicContact CB-CB 4.2Å; I500-Q661 HydrophobicContact CB-CG 4.49Å; I500-Q661 HydrophobicContact CG2-CB 3.96Å; I500-Q661 HydrophobicContact CG2-CG 4.26Å; T501-Q661 PolarHBondContact O-OE1 2.87Å; T657-Q661 PolarHBondContact OG1-NE2 2.82Å; S658-Q661 PolarHBondContact O-N 3.4Å; S658-Q661 PolarHBondContact OG-N 2.9Å; P659-Q661 PolarHBondContact O-N 3.19Å; Q661-I664 PolarHBondContact O-N 3.42Å; Q661-G665 PolarHBondContact O-N 2.64Å
662G98.5Very high97.1Very high0 Ų023.1 Ų23.10%014%0.137CC..Hα-helixtrans-60.7-49.7174.500000112.5Y509 S658 P659 A660 I664 G665 A666Y509-G662 WeakPolarHBondContact CE1-O 3.41Å; Y509-G662 VanDerWaalsContact CZ-CA 3.46Å; Y509-G662 VanDerWaalsContact OH-C 3.23Å; Y509-G662 VanDerWaalsContact OH-CA 3.22Å; Y509-G662 WeakPolarHBondContact OH-CA 3.46Å; Y509-G662 PolarHBondContact OH-O 2.93Å; S658-G662 PolarHBondContact O-N 2.63Å; P659-G662 WeakPolarHBondContact O-CA 3.48Å; P659-G662 PolarHBondContact O-N 3.42Å; A660-G662 VanDerWaalsContact C-N 3.3Å; G662-I664 VanDerWaalsContact C-N 3.34Å; G662-I664 PolarHBondContact O-N 2.94Å; G662-G665 PolarHBondContact O-N 3.07Å; G662-G665 VanDerWaalsContact O-N 3.16Å; G662-A666 WeakPolarHBondContact O-CB 3.47Å; G662-A666 PolarHBondContact O-N 2.77Å
663D98.8Very high97.1Very high0 Ų019.4 Ų19.40%012%0.119CC..Hα-helixtrans-57.5-45.5175.7-82.3-7.4000112.3H304 P659 A660 G665 A666 V667 G677 G678 P679 F680 R681 Y726H304-D663 IonicContact CD2-OD2 3.32Å; H304-D663 IonicContact CE1-OD2 2.73Å; H304-D663 IonicContact NE2-OD2 2.69Å; H304-D663 PolarHBondContact NE2-OD2 3.09Å; P659-D663 PolarHBondContact O-N 3.33Å; A660-D663 PolarHBondContact O-N 3.44Å; D663-G665 PolarHBondContact O-N 3.49Å; D663-A666 PolarHBondContact O-N 2.83Å; D663-V667 WeakPolarHBondContact O-CB 3.34Å; D663-V667 WeakPolarHBondContact O-CG2 3.44Å; D663-V667 PolarHBondContact O-N 2.85Å; D663-G677 WeakPolarHBondContact CB-O 3.3Å; D663-G678 VanDerWaalsContact OD1-CA 3.23Å; D663-G678 WeakPolarHBondContact OD1-CA 3.39Å; D663-P679 VanDerWaalsContact OD1-CD 3.25Å; D663-P679 WeakPolarHBondContact OD1-CD 3.44Å; D663-F680 WeakPolarHBondContact OD1-CB 3.28Å; D663-F680 WeakPolarHBondContact OD1-CD2 3.27Å; D663-F680 PolarHBondContact OD1-N 2.85Å; D663-R681 WeakPolarHBondContact OD2-CB 3.4Å; D663-R681 PolarHBondContact OD2-N 3.15Å; D663-Y726 WeakPolarHBondContact OD2-CE2 3.47Å; D663-Y726 PolarHBondContact OD2-OH 2.66Å
664I98.5Very high97.1Very high0 Ų017.4 Ų17.40%011%0.113CC..Hα-helixtrans-62.9-43.2176-67.2-59.6000111.7L305 A308 S309 C312 L471 L498 I500 A660 Q661 G662 F668L305-I664 HydrophobicContact CD2-CD1 4.02Å; A308-I664 HydrophobicContact CB-CD1 3.8Å; A308-I664 HydrophobicContact CB-CG1 3.75Å; S309-I664 VanDerWaalsContact OG-CD1 3.29Å; S309-I664 WeakPolarHBondContact OG-CD1 3.27Å; C312-I664 HydrophobicContact CB-CG2 4.19Å; L471-I664 HydrophobicContact CD1-CG2 4.14Å; L498-I664 HydrophobicContact CB-CG2 4.18Å; L498-I664 HydrophobicContact CD1-CG2 4.07Å; I500-I664 HydrophobicContact CG2-CB 4.4Å; I500-I664 HydrophobicContact CG2-CG2 4.08Å; A660-I664 VanDerWaalsContact O-CG1 3.28Å; A660-I664 WeakPolarHBondContact O-CG1 3.35Å; A660-I664 PolarHBondContact O-N 2.81Å; A660-I664 VanDerWaalsContact O-N 3.07Å; Q661-I664 PolarHBondContact O-N 3.42Å; G662-I664 VanDerWaalsContact C-N 3.34Å; G662-I664 PolarHBondContact O-N 2.94Å; I664-F668 HydrophobicContact CB-CD2 4.46Å; I664-F668 HydrophobicContact CD1-CD2 3.78Å; I664-F668 HydrophobicContact CD1-CE2 3.54Å; I664-F668 HydrophobicContact CG2-CD2 4.02Å; I664-F668 WeakPolarHBondContact O-CB 3.15Å; I664-F668 PolarHBondContact O-N 3.37Å
665G98.4Very high97.1Very high0 Ų017.4 Ų17.40%011%0.107CC..Hα-helixtrans-60.1-47.5177.300000112.4Q661 G662 D663 G669Q661-G665 PolarHBondContact O-N 2.64Å; G662-G665 PolarHBondContact O-N 3.07Å; G662-G665 VanDerWaalsContact O-N 3.16Å; D663-G665 PolarHBondContact O-N 3.49Å; G665-G669 VanDerWaalsContact O-CA 3.28Å; G665-G669 WeakPolarHBondContact O-CA 3.47Å; G665-G669 PolarHBondContact O-N 2.95Å
666A98.6Very high97Very high0 Ų018.7 Ų18.70%011%0.113CC..Hα-helixtrans-66.7-44.9-179.900000112.5I513 F643 G662 D663 L670 G671 F672 P679I513-A666 HydrophobicContact CD1-CB 4.36Å; F643-A666 HydrophobicContact CE1-CB 3.84Å; F643-A666 HydrophobicContact CZ-CB 3.94Å; G662-A666 WeakPolarHBondContact O-CB 3.47Å; G662-A666 PolarHBondContact O-N 2.77Å; D663-A666 PolarHBondContact O-N 2.83Å; A666-L670 CarbonylContact O-C 3.34Å; A666-L670 WeakPolarHBondContact O-CA 3.42Å; A666-L670 WeakPolarHBondContact O-CB 3.37Å; A666-L670 PolarHBondContact O-N 3.1Å; A666-L670 VanDerWaalsContact O-N 3.15Å; A666-G671 PolarHBondContact O-N 3.17Å; A666-F672 HydrophobicContact CB-CB 3.92Å; A666-F672 HydrophobicContact CB-CG 4.47Å; A666-F672 PolarHBondContact O-N 3.01Å; A666-P679 HydrophobicContact CB-CG 3.86Å
667V98.6Very high97Very high11 Ų1118.6 Ų18.67%0.06711%0.113CC..Hα-helixtrans-74.9-50.1-176.5175.20000111.7L305 D663 G671 F672 P674L305-V667 HydrophobicContact CD1-CG1 4.02Å; L305-V667 HydrophobicContact CD1-CG2 4.24Å; L305-V667 HydrophobicContact CD2-CB 4.15Å; L305-V667 HydrophobicContact CD2-CG1 4.35Å; L305-V667 HydrophobicContact CD2-CG2 3.92Å; D663-V667 WeakPolarHBondContact O-CB 3.34Å; D663-V667 WeakPolarHBondContact O-CG2 3.44Å; D663-V667 PolarHBondContact O-N 2.85Å; V667-G671 WeakPolarHBondContact O-CA 3.46Å; V667-G671 PolarHBondContact O-N 2.94Å; V667-F672 HydrophobicContact CG2-CB 4.1Å; V667-F672 HydrophobicContact CG2-CD1 4.49Å; V667-P674 HydrophobicContact CG1-CB 4.1Å; V667-P674 HydrophobicContact CG1-CG 3.93Å
668F97.8Very high97.4Very high45 Ų4514.4 Ų14.420%0.1979%0.087CC..Hα-helixtrans-91.4-13.6-172-66.5-76.9000114.5L305 S309 Q470 L498 I664L305-F668 HydrophobicContact CD2-CE2 4.25Å; S309-F668 WeakPolarHBondContact OG-CE2 3.33Å; Q470-F668 HydrophobicContact CB-CB 4.25Å; Q470-F668 HydrophobicContact CB-CD1 4.32Å; L498-F668 HydrophobicContact CD1-CB 4.1Å; L498-F668 HydrophobicContact CD1-CD1 4.02Å; L498-F668 HydrophobicContact CD1-CD2 3.62Å; L498-F668 HydrophobicContact CD1-CE1 4.34Å; L498-F668 HydrophobicContact CD1-CE2 3.96Å; L498-F668 HydrophobicContact CD1-CG 3.63Å; L498-F668 HydrophobicContact CD1-CZ 4.3Å; I664-F668 HydrophobicContact CB-CD2 4.46Å; I664-F668 HydrophobicContact CD1-CD2 3.78Å; I664-F668 HydrophobicContact CD1-CE2 3.54Å; I664-F668 HydrophobicContact CG2-CD2 4.02Å; I664-F668 WeakPolarHBondContact O-CB 3.15Å; I664-F668 PolarHBondContact O-N 3.37Å
669G95.9Very high97.6Very high6 Ų612.8 Ų12.86%0.0628%0.076CC..Hα-helixtrans-98-44.117200000113.1M469 G665M469-G669 WeakPolarHBondContact CE-O 3.37Å; G665-G669 VanDerWaalsContact O-CA 3.28Å; G665-G669 WeakPolarHBondContact O-CA 3.47Å; G665-G669 PolarHBondContact O-N 2.95Å
670L95.7Very high97.6Very high24 Ų2411.6 Ų11.613%0.1267%0.068CC..Hα-helixtrans-114.7-8.4-167.1-52.6178000114.1F463 T510 I513 L514 F643 A666F463-L670 HydrophobicContact CE1-CD2 4.17Å; T510-L670 WeakPolarHBondContact O-CD1 3.31Å; I513-L670 HydrophobicContact CD1-CD1 3.59Å; I513-L670 HydrophobicContact CG1-CD1 3.42Å; I513-L670 VanDerWaalsContact CG1-CD1 3.42Å; L514-L670 HydrophobicContact CB-CD1 4.1Å; L514-L670 HydrophobicContact CB-CD2 4.1Å; L514-L670 HydrophobicContact CD2-CD2 4.1Å; L514-L670 HydrophobicContact CG-CD2 4.49Å; F643-L670 HydrophobicContact CE2-CB 4.39Å; F643-L670 HydrophobicContact CE2-CD1 3.87Å; F643-L670 HydrophobicContact CZ-CB 4.31Å; F643-L670 HydrophobicContact CZ-CD1 3.73Å; A666-L670 CarbonylContact O-C 3.34Å; A666-L670 WeakPolarHBondContact O-CA 3.42Å; A666-L670 WeakPolarHBondContact O-CB 3.37Å; A666-L670 PolarHBondContact O-N 3.1Å; A666-L670 VanDerWaalsContact O-N 3.15Å
671G95.3Very high97.6Very high16 Ų1611.8 Ų11.817%0.1656%0.064CC..  trans77.327.8178.700000114.1F543 P544 A666 V667F543-G671 VanDerWaalsContact CD1-O 3.31Å; F543-G671 WeakPolarHBondContact CD1-O 3.19Å; P544-G671 WeakPolarHBondContact CD-O 3.5Å; A666-G671 PolarHBondContact O-N 3.17Å; V667-G671 WeakPolarHBondContact O-CA 3.46Å; V667-G671 PolarHBondContact O-N 2.94Å
672F98Very high97.6Very high0 Ų010.9 Ų10.90%06%0.06CC..  trans-54137.8167.7-165-85.1000109.6F543 F643 V644 A666 V667 P674 M676 G678 F682F543-F672 HydrophobicContact CE1-CD2 4.2Å; F543-F672 AromaticContact CZ-CD2 3.97Å; F543-F672 HydrophobicContact CZ-CD2 3.97Å; F543-F672 HydrophobicContact CZ-CE2 4.3Å; F643-F672 AromaticContact CD1-CD2 3.86Å; F643-F672 HydrophobicContact CD1-CD2 3.86Å; F643-F672 HydrophobicContact CD1-CE2 4.02Å; F643-F672 AromaticContact CE1-CD2 3.58Å; F643-F672 HydrophobicContact CE1-CD2 3.58Å; F643-F672 HydrophobicContact CE1-CE2 4.18Å; F643-F672 HydrophobicContact CE1-CG 4.45Å; F643-F672 HydrophobicContact CZ-CD2 4.07Å; V644-F672 HydrophobicContact CG2-CE2 4.13Å; V644-F672 HydrophobicContact CG2-CZ 4.32Å; A666-F672 HydrophobicContact CB-CB 3.92Å; A666-F672 HydrophobicContact CB-CG 4.47Å; A666-F672 PolarHBondContact O-N 3.01Å; V667-F672 HydrophobicContact CG2-CB 4.1Å; V667-F672 HydrophobicContact CG2-CD1 4.49Å; F672-P674 VanDerWaalsContact O-CD 3.24Å; F672-P674 WeakPolarHBondContact O-CD 3.47Å; F672-P674 VanDerWaalsContact O-N 3.11Å; F672-M676 HydrophobicContact CE1-CB 4.07Å; F672-G678 VanDerWaalsContact CE1-C 3.5Å; F672-F682 HydrophobicContact CE1-CB 4.03Å; F672-F682 HydrophobicContact CE1-CG 4.49Å; F672-F682 HydrophobicContact CZ-CB 4.03Å; F672-F682 HydrophobicContact CZ-CD1 4.38Å; F672-F682 HydrophobicContact CZ-CG 4.13Å
673P97.7Very high97.6Very high0 Ų011 Ų110%06%0.06CC..  trans-55.1116.6-169.4-26.432.9000113.1F541 F543 F675 M676F541-P673 HydrophobicContact CD1-CG 4.08Å; F541-P673 HydrophobicContact CE1-CG 4.32Å; F543-P673 HydrophobicContact CD2-CG 4.09Å; F543-P673 HydrophobicContact CE2-CG 4.16Å; F543-P673 HydrophobicContact CG-CG 4.33Å; F543-P673 HydrophobicContact CZ-CG 4.49Å; P673-F675 VanDerWaalsContact C-N 3.27Å; P673-F675 HydrophobicContact CB-CD1 3.98Å; P673-F675 HydrophobicContact CB-CE1 3.51Å; P673-F675 HydrophobicContact CB-CZ 3.94Å; P673-F675 PolarHBondContact O-N 2.91Å; P673-M676 HydrophobicContact CB-CG 4.27Å; P673-M676 HydrophobicContact CB-SD 3.96Å; P673-M676 HydrophobicContact CG-SD 4.06Å; P673-M676 WeakPolarHBondContact O-CB 3.26Å; P673-M676 PolarHBondContact O-N 2.75Å
674P97.6Very high97.4Very high39 Ų3911.6 Ų11.625%0.2536%0.063SC..G310 helixtrans-62.4-30.6-174-24.230.5000114.4Y261 L302 L305 V667 F672 M676 G677Y261-P674 WeakPolarHBondContact OH-CD 3.39Å; L302-P674 HydrophobicContact CD2-CB 3.93Å; L305-P674 HydrophobicContact CD1-CB 4.03Å; L305-P674 VanDerWaalsContact CD1-O 3.25Å; L305-P674 WeakPolarHBondContact CD1-O 3.28Å; V667-P674 HydrophobicContact CG1-CB 4.1Å; V667-P674 HydrophobicContact CG1-CG 3.93Å; F672-P674 VanDerWaalsContact O-CD 3.24Å; F672-P674 WeakPolarHBondContact O-CD 3.47Å; F672-P674 VanDerWaalsContact O-N 3.11Å; P674-M676 PolarHBondContact O-N 3.47Å; P674-G677 PolarHBondContact O-N 3.35Å
675F96.8Very high97.2Very high20 Ų2015 Ų159%0.0889%0.087CC..G310 helixtrans-69.3-9.8177.866.2-88.1000113.4H260 Y261 E298 C301 P673H260-F675 HydrophobicContact CB-CD1 3.71Å; H260-F675 HydrophobicContact CB-CD2 4.31Å; H260-F675 HydrophobicContact CB-CE1 3.43Å; H260-F675 VanDerWaalsContact CB-CE1 3.43Å; H260-F675 HydrophobicContact CB-CE2 4.06Å; H260-F675 HydrophobicContact CB-CG 4.15Å; H260-F675 HydrophobicContact CB-CZ 3.64Å; H260-F675 AromaticContact CG-CE1 3.56Å; H260-F675 AromaticContact CG-CZ 3.49Å; H260-F675 VanDerWaalsContact CG-CZ 3.49Å; H260-F675 AromaticContact ND1-CE2 3.96Å; H260-F675 AromaticContact ND1-CZ 3.43Å; H260-F675 WeakPolarHBondContact ND1-CZ 3.49Å; Y261-F675 HydrophobicContact CD1-CB 4.17Å; Y261-F675 HydrophobicContact CE1-CB 3.72Å; Y261-F675 HydrophobicContact CE1-CD1 4.31Å; Y261-F675 HydrophobicContact CE1-CG 4.47Å; Y261-F675 AromaticContact CE2-CD1 3.95Å; Y261-F675 HydrophobicContact CE2-CD1 3.95Å; Y261-F675 AromaticContact CZ-CD1 3.74Å; E298-F675 HydrophobicContact CB-CB 4.32Å; E298-F675 HydrophobicContact CG-CB 4.07Å; C301-F675 VanDerWaalsContact CB-O 3.28Å; C301-F675 WeakPolarHBondContact CB-O 3.42Å; P673-F675 VanDerWaalsContact C-N 3.27Å; P673-F675 HydrophobicContact CB-CD1 3.98Å; P673-F675 HydrophobicContact CB-CE1 3.51Å; P673-F675 HydrophobicContact CB-CZ 3.94Å; P673-F675 PolarHBondContact O-N 2.91Å
676M97.3Very high97Very high32 Ų3216.7 Ų16.716%0.1589%0.094CC..G310 helixtrans-101.1-3.3171.8-63.8173.5169.900112.9F541 F672 P673 P674 G678 F682F541-M676 HydrophobicContact CD1-CE 4.27Å; F541-M676 HydrophobicContact CD1-SD 4.4Å; F541-M676 HydrophobicContact CE1-CE 3.75Å; F541-M676 HydrophobicContact CE1-SD 3.62Å; F541-M676 HydrophobicContact CZ-CE 3.88Å; F541-M676 HydrophobicContact CZ-SD 4.08Å; F672-M676 HydrophobicContact CE1-CB 4.07Å; P673-M676 HydrophobicContact CB-CG 4.27Å; P673-M676 HydrophobicContact CB-SD 3.96Å; P673-M676 HydrophobicContact CG-SD 4.06Å; P673-M676 WeakPolarHBondContact O-CB 3.26Å; P673-M676 PolarHBondContact O-N 2.75Å; P674-M676 PolarHBondContact O-N 3.47Å; M676-G678 VanDerWaalsContact C-N 3.25Å; M676-G678 PolarHBondContact O-N 3.47Å; M676-F682 HydrophobicContact CB-CB 4.4Å; M676-F682 HydrophobicContact CB-CD2 4.3Å; M676-F682 HydrophobicContact CG-CD2 4.32Å; M676-F682 PolarHBondContact O-N 3.24Å; M676-F682 HydrophobicContact SD-CD2 3.89Å; M676-F682 HydrophobicContact SD-CE2 4.2Å
677G97.1Very high96.8Very high0 Ų018 Ų180%011%0.107CC..THydrogen-bonded Turntrans79.1-10171.600000116.6L305 D663 P674L305-G677 WeakPolarHBondContact CD2-O 3.09Å; D663-G677 WeakPolarHBondContact CB-O 3.3Å; P674-G677 PolarHBondContact O-N 3.35Å
678G98.4Very high96.7Very high0 Ų018 Ų180%011%0.108CC..SBendtrans115.2169.3-174.700000112.1D663 F672 M676 F680 R681 F682D663-G678 VanDerWaalsContact OD1-CA 3.23Å; D663-G678 WeakPolarHBondContact OD1-CA 3.39Å; F672-G678 VanDerWaalsContact CE1-C 3.5Å; M676-G678 VanDerWaalsContact C-N 3.25Å; M676-G678 PolarHBondContact O-N 3.47Å; G678-F680 VanDerWaalsContact C-N 3.3Å; G678-F680 PolarHBondContact O-N 2.8Å; G678-R681 PolarHBondContact O-N 2.91Å; G678-F682 WeakPolarHBondContact O-CB 3.46Å; G678-F682 PolarHBondContact O-N 2.78Å
679P98.5Very high96.7Very high1 Ų120 Ų201%0.00612%0.118CC..Hα-helixtrans-57-36.1-175.122.3-35.1000114.5F643 V644 A647 D663 A666 L683F643-P679 HydrophobicContact CE1-CG 4.35Å; V644-P679 HydrophobicContact CB-CB 4.45Å; V644-P679 HydrophobicContact CG1-CB 4.44Å; V644-P679 HydrophobicContact CG2-CB 4Å; A647-P679 HydrophobicContact CB-CB 3.97Å; A647-P679 HydrophobicContact CB-CG 3.88Å; D663-P679 VanDerWaalsContact OD1-CD 3.25Å; D663-P679 WeakPolarHBondContact OD1-CD 3.44Å; A666-P679 HydrophobicContact CB-CG 3.86Å; P679-L683 WeakPolarHBondContact O-CG 3.25Å; P679-L683 PolarHBondContact O-N 3.13Å; P679-L683 VanDerWaalsContact O-N 3.11Å
680F98.5Very high96.8Very high0 Ų025.6 Ų25.60%014%0.138CC..Hα-helixtrans-77.1-45.1-179.4-62.8-85.1000111.2A647 V648 L651 I656 P659 D663 G678 F682 L683 D684 F725 Y726A647-F680 HydrophobicContact CB-CE2 4.23Å; A647-F680 HydrophobicContact CB-CZ 4.28Å; A647-F680 WeakPolarHBondContact O-CZ 3.34Å; V648-F680 HydrophobicContact CG2-CD1 4.44Å; V648-F680 HydrophobicContact CG2-CE1 4.05Å; L651-F680 HydrophobicContact CB-CE1 4.02Å; L651-F680 HydrophobicContact CB-CZ 3.98Å; L651-F680 HydrophobicContact CD2-CD1 4.27Å; L651-F680 HydrophobicContact CD2-CE1 3.56Å; L651-F680 HydrophobicContact CD2-CZ 4.19Å; L651-F680 HydrophobicContact CG-CE1 4.43Å; I656-F680 HydrophobicContact CD1-CE2 3.85Å; I656-F680 HydrophobicContact CD1-CZ 3.77Å; P659-F680 HydrophobicContact CB-CB 3.89Å; P659-F680 HydrophobicContact CB-CD1 3.88Å; P659-F680 HydrophobicContact CB-CD2 4.15Å; P659-F680 HydrophobicContact CB-CE1 4.48Å; P659-F680 HydrophobicContact CB-CG 3.7Å; P659-F680 HydrophobicContact CG-CD1 4.34Å; P659-F680 WeakPolarHBondContact O-CD2 3.39Å; D663-F680 WeakPolarHBondContact OD1-CB 3.28Å; D663-F680 WeakPolarHBondContact OD1-CD2 3.27Å; D663-F680 PolarHBondContact OD1-N 2.85Å; G678-F680 VanDerWaalsContact C-N 3.3Å; G678-F680 PolarHBondContact O-N 2.8Å; F680-F682 VanDerWaalsContact C-N 3.3Å; F680-F682 PolarHBondContact O-N 2.79Å; F680-L683 WeakPolarHBondContact O-CB 3.47Å; F680-L683 PolarHBondContact O-N 2.98Å; F680-D684 PolarHBondContact O-N 2.8Å; F680-D684 VanDerWaalsContact O-N 3.16Å; F680-F725 HydrophobicContact CB-CB 4.28Å; F680-F725 HydrophobicContact CB-CD2 4.24Å; F680-F725 HydrophobicContact CB-CG 4.21Å; F680-F725 AromaticContact CD1-CD1 3.75Å; F680-F725 HydrophobicContact CD1-CD1 3.75Å; F680-F725 AromaticContact CD1-CD2 3.96Å; F680-F725 HydrophobicContact CD1-CD2 3.96Å; F680-F725 AromaticContact CD1-CE1 3.79Å; F680-F725 HydrophobicContact CD1-CE1 3.79Å; F680-F725 AromaticContact CD1-CE2 4Å; F680-F725 HydrophobicContact CD1-CE2 4Å; F680-F725 AromaticContact CD1-CG 3.83Å; F680-F725 HydrophobicContact CD1-CG 3.83Å; F680-F725 AromaticContact CD1-CZ 3.91Å; F680-F725 HydrophobicContact CD1-CZ 3.91Å; F680-F725 HydrophobicContact CE1-CD1 4.36Å; F680-F725 HydrophobicContact CE1-CE1 4.05Å; F680-F725 HydrophobicContact CE1-CZ 4.24Å; F680-Y726 HydrophobicContact CB-CE2 3.86Å
681R97.1Very high96.9Very high27 Ų2724.5 Ų24.510%0.10213%0.132CC..Hα-helixtrans-66.2-34.3174.9-174.264.2-172.3128.9-1.1112.7D663 G678 D684 S685 Y726D663-R681 WeakPolarHBondContact OD2-CB 3.4Å; D663-R681 PolarHBondContact OD2-N 3.15Å; G678-R681 PolarHBondContact O-N 2.91Å; R681-D684 PolarHBondContact O-N 3.39Å; R681-S685 PolarHBondContact O-N 3.33Å; R681-S685 PolarHBondContact O-OG 3.35Å; R681-S685 VanDerWaalsContact O-OG 3.08Å; R681-Y726 HydrophobicContact CB-CD2 4.43Å; R681-Y726 HydrophobicContact CB-CE2 4.14Å
682F97.5Very high97Very high8 Ų824.3 Ų24.34%0.03513%0.127CC..Hα-helixtrans-60.3-46171.4170.2-103.8000110.8F541 M637 V640 V644 F672 M676 G678 F680 D684 S685 Y686F541-F682 HydrophobicContact CZ-CE2 4.23Å; F541-F682 HydrophobicContact CZ-CZ 4.29Å; M637-F682 HydrophobicContact CE-CZ 4.38Å; V640-F682 HydrophobicContact CG1-CE1 4.2Å; V640-F682 HydrophobicContact CG1-CZ 4.46Å; V644-F682 HydrophobicContact CG2-CD1 3.95Å; V644-F682 HydrophobicContact CG2-CE1 4.26Å; F672-F682 HydrophobicContact CE1-CB 4.03Å; F672-F682 HydrophobicContact CE1-CG 4.49Å; F672-F682 HydrophobicContact CZ-CB 4.03Å; F672-F682 HydrophobicContact CZ-CD1 4.38Å; F672-F682 HydrophobicContact CZ-CG 4.13Å; M676-F682 HydrophobicContact CB-CB 4.4Å; M676-F682 HydrophobicContact CB-CD2 4.3Å; M676-F682 HydrophobicContact CG-CD2 4.32Å; M676-F682 PolarHBondContact O-N 3.24Å; M676-F682 HydrophobicContact SD-CD2 3.89Å; M676-F682 HydrophobicContact SD-CE2 4.2Å; G678-F682 WeakPolarHBondContact O-CB 3.46Å; G678-F682 PolarHBondContact O-N 2.78Å; F680-F682 VanDerWaalsContact C-N 3.3Å; F680-F682 PolarHBondContact O-N 2.79Å; F682-D684 VanDerWaalsContact C-N 3.32Å; F682-D684 PolarHBondContact O-N 2.85Å; F682-S685 PolarHBondContact O-N 2.95Å; F682-S685 VanDerWaalsContact O-N 3.15Å; F682-S685 PolarHBondContact O-OG 3.47Å; F682-Y686 HydrophobicContact CE1-CD1 4.25Å; F682-Y686 HydrophobicContact CE1-CG 4.08Å; F682-Y686 AromaticContact CE2-CD2 3.84Å; F682-Y686 HydrophobicContact CE2-CD2 3.84Å; F682-Y686 AromaticContact CE2-CG 3.92Å; F682-Y686 HydrophobicContact CE2-CG 3.92Å; F682-Y686 AromaticContact CZ-CD1 3.98Å; F682-Y686 HydrophobicContact CZ-CD1 3.98Å; F682-Y686 AromaticContact CZ-CD2 3.67Å; F682-Y686 HydrophobicContact CZ-CD2 3.67Å; F682-Y686 HydrophobicContact CZ-CE2 4.24Å; F682-Y686 AromaticContact CZ-CG 3.51Å; F682-Y686 HydrophobicContact CZ-CG 3.51Å; F682-Y686 WeakPolarHBondContact O-CB 2.99Å; F682-Y686 PolarHBondContact O-N 3.42Å
683L97.3Very high97Very high2 Ų232.3 Ų32.31%0.0116%0.157CC..Hα-helixtrans-58.8-42176.1-81.5170.6000113V644 V648 P679 F680 S685 G687 L691 L714 F725V644-L683 HydrophobicContact CG1-CD1 3.52Å; V644-L683 HydrophobicContact CG1-CD2 3.8Å; V644-L683 HydrophobicContact CG1-CG 3.52Å; V648-L683 HydrophobicContact CG2-CD1 3.37Å; P679-L683 WeakPolarHBondContact O-CG 3.25Å; P679-L683 PolarHBondContact O-N 3.13Å; P679-L683 VanDerWaalsContact O-N 3.11Å; F680-L683 WeakPolarHBondContact O-CB 3.47Å; F680-L683 PolarHBondContact O-N 2.98Å; L683-S685 PolarHBondContact O-N 3.4Å; L683-G687 CarbonylContact O-C 3.6Å; L683-G687 WeakPolarHBondContact O-CA 3.38Å; L683-G687 PolarHBondContact O-N 2.95Å; L683-L691 HydrophobicContact CD2-CB 4.21Å; L683-L691 HydrophobicContact CD2-CD2 3.44Å; L683-L691 VanDerWaalsContact CD2-CD2 3.44Å; L683-L691 HydrophobicContact CD2-CG 4.45Å; L683-L714 HydrophobicContact CD1-CD1 4Å; L683-L714 HydrophobicContact CD2-CD1 3.74Å; L683-F725 HydrophobicContact CB-CD2 4.39Å; L683-F725 HydrophobicContact CB-CE2 4.24Å; L683-F725 HydrophobicContact CD1-CD2 4.48Å; L683-F725 HydrophobicContact CD1-CE2 3.69Å; L683-F725 HydrophobicContact CD1-CZ 4.44Å
684D95.6Very high97Very high12 Ų1233.9 Ų33.96%0.06417%0.165CC..Hα-helixtrans-64.6-28.2178.9-72.6-12.2000113F680 R681 F682 H724 F725 Y726F680-D684 PolarHBondContact O-N 2.8Å; F680-D684 VanDerWaalsContact O-N 3.16Å; R681-D684 PolarHBondContact O-N 3.39Å; F682-D684 VanDerWaalsContact C-N 3.32Å; F682-D684 PolarHBondContact O-N 2.85Å; D684-H724 HydrophobicContact CB-CB 4.39Å; D684-H724 PolarHBondContact O-CE1 3.49Å; D684-H724 WeakPolarHBondContact OD1-CA 3.47Å; D684-H724 WeakPolarHBondContact OD1-CB 3.49Å; D684-H724 IonicContact OD1-CG 3.42Å; D684-H724 IonicContact OD1-ND1 3.47Å; D684-H724 PolarHBondContact OD1-ND1 2.57Å; D684-F725 PolarHBondContact OD1-N 2.88Å; D684-F725 PolarHBondContact OD2-N 2.85Å; D684-Y726 VanDerWaalsContact OD2-CD2 3.28Å; D684-Y726 WeakPolarHBondContact OD2-CD2 3.49Å; D684-Y726 PolarHBondContact OD2-N 2.87Å
685S92.6Very high97Very high71 Ų7132 Ų3250%0.49715%0.153SC..Hα-helixtrans-94.8-35.2179.652.90000113.7R681 F682 L683R681-S685 PolarHBondContact O-N 3.33Å; R681-S685 PolarHBondContact O-OG 3.35Å; R681-S685 VanDerWaalsContact O-OG 3.08Å; F682-S685 PolarHBondContact O-N 2.95Å; F682-S685 VanDerWaalsContact O-N 3.15Å; F682-S685 PolarHBondContact O-OG 3.47Å; L683-S685 PolarHBondContact O-N 3.4Å
686Y94.2Very high97.1Very high37 Ų3733.6 Ų33.615%0.14516%0.162CC..Hα-helixtrans-78.4-31.8178.7-169.3-105.5000112.5M637 F682 R690 L691 E694M637-Y686 HydrophobicContact CE-CE1 3.89Å; F682-Y686 HydrophobicContact CE1-CD1 4.25Å; F682-Y686 HydrophobicContact CE1-CG 4.08Å; F682-Y686 AromaticContact CE2-CD2 3.84Å; F682-Y686 HydrophobicContact CE2-CD2 3.84Å; F682-Y686 AromaticContact CE2-CG 3.92Å; F682-Y686 HydrophobicContact CE2-CG 3.92Å; F682-Y686 AromaticContact CZ-CD1 3.98Å; F682-Y686 HydrophobicContact CZ-CD1 3.98Å; F682-Y686 AromaticContact CZ-CD2 3.67Å; F682-Y686 HydrophobicContact CZ-CD2 3.67Å; F682-Y686 HydrophobicContact CZ-CE2 4.24Å; F682-Y686 AromaticContact CZ-CG 3.51Å; F682-Y686 HydrophobicContact CZ-CG 3.51Å; F682-Y686 WeakPolarHBondContact O-CB 2.99Å; F682-Y686 PolarHBondContact O-N 3.42Å; Y686-R690 HydrophobicContact CD1-CB 4.38Å; Y686-R690 HydrophobicContact CD1-CG 4.32Å; Y686-R690 HydrophobicContact CE1-CB 4.23Å; Y686-R690 HydrophobicContact CE1-CG 3.74Å; Y686-R690 VanDerWaalsContact CZ-NE 3.29Å; Y686-R690 PolarHBondContact OH-NE 3.25Å; Y686-R690 PolarHBondContact OH-NH2 3.39Å; Y686-L691 HydrophobicContact CD1-CB 4.18Å; Y686-L691 HydrophobicContact CD1-CD1 4.38Å; Y686-L691 HydrophobicContact CE1-CB 4.27Å; Y686-L691 HydrophobicContact CE1-CD1 4.09Å; Y686-E694 PolarHBondContact OH-OE1 3.18Å; Y686-E694 PolarHBondContact OH-OE2 3.31Å
687G95.3Very high97Very high26 Ų2634.4 Ų34.427%0.26817%0.174SC..  trans94.1119.6-174.900000112.1L683 E689 R690 L691L683-G687 CarbonylContact O-C 3.6Å; L683-G687 WeakPolarHBondContact O-CA 3.38Å; L683-G687 PolarHBondContact O-N 2.95Å; G687-E689 VanDerWaalsContact C-N 3.29Å; G687-E689 PolarHBondContact O-N 3.17Å; G687-R690 PolarHBondContact O-N 3.45Å; G687-L691 PolarHBondContact O-N 3.41Å; G687-L691 VanDerWaalsContact O-N 3.11Å
688A97.5Very high97Very high12 Ų1234.6 Ų34.610%0.09918%0.175CC..Hα-helixtrans-59.5-40.3176.300000112.1R690 L691 V692 L714 H717 A718A688-R690 VanDerWaalsContact C-N 3.34Å; A688-R690 PolarHBondContact O-N 3.07Å; A688-L691 PolarHBondContact O-N 3.19Å; A688-V692 WeakPolarHBondContact O-CB 3.04Å; A688-V692 WeakPolarHBondContact O-CG2 3.45Å; A688-V692 PolarHBondContact O-N 3.27Å; A688-L714 HydrophobicContact CB-CD1 4.07Å; A688-H717 HydrophobicContact CB-CB 3.77Å; A688-A718 HydrophobicContact CB-CB 4.31Å
689E97.2Very high96.8Very high87 Ų8736.6 Ų36.641%0.40718%0.184SC..Hα-helixtrans-57.9-46.4175.5-174-172.4-171.100111.9G687 L691 V692 R693 A718G687-E689 VanDerWaalsContact C-N 3.29Å; G687-E689 PolarHBondContact O-N 3.17Å; E689-L691 PolarHBondContact O-N 2.98Å; E689-V692 PolarHBondContact O-N 3.34Å; E689-R693 WeakPolarHBondContact O-CG 3.47Å; E689-R693 PolarHBondContact O-N 3.45Å; E689-R693 IonicContact OE1-CZ 3.94Å; E689-R693 IonicContact OE1-NE 3.43Å; E689-R693 PolarHBondContact OE1-NE 3.24Å; E689-R693 IonicContact OE1-NH2 2.74Å; E689-R693 PolarHBondContact OE1-NH2 2.79Å; E689-A718 HydrophobicContact CB-CB 4.44Å
690R96.8Very high96.6Very high124 Ų12439.7 Ų39.747%0.46821%0.21SC..Hα-helixtrans-61.2-46.3178.5-177.7-179.2174.8178.6-1.9111.1Y686 G687 A688 R693 E694Y686-R690 HydrophobicContact CD1-CB 4.38Å; Y686-R690 HydrophobicContact CD1-CG 4.32Å; Y686-R690 HydrophobicContact CE1-CB 4.23Å; Y686-R690 HydrophobicContact CE1-CG 3.74Å; Y686-R690 VanDerWaalsContact CZ-NE 3.29Å; Y686-R690 PolarHBondContact OH-NE 3.25Å; Y686-R690 PolarHBondContact OH-NH2 3.39Å; G687-R690 PolarHBondContact O-N 3.45Å; A688-R690 VanDerWaalsContact C-N 3.34Å; A688-R690 PolarHBondContact O-N 3.07Å; R690-R693 PolarHBondContact O-N 3.32Å; R690-E694 IonicContact NE-OE1 3.8Å; R690-E694 PolarHBondContact O-N 3.42Å; R690-E694 VanDerWaalsContact O-N 3.17Å
691L98Very high96.3Very high0 Ų041.1 Ų41.10%022%0.221CC..Hα-helixtrans-63.2-43.6178.8-168.771.3000111.5M637 C641 V644 L683 Y686 G687 A688 E689 R693 E694 M695 L714M637-L691 HydrophobicContact CE-CD1 3.29Å; C641-L691 HydrophobicContact CB-CD1 3.75Å; C641-L691 HydrophobicContact CB-CG 4.32Å; V644-L691 HydrophobicContact CB-CD2 4.24Å; V644-L691 HydrophobicContact CG1-CD2 3.71Å; L683-L691 HydrophobicContact CD2-CB 4.21Å; L683-L691 HydrophobicContact CD2-CD2 3.44Å; L683-L691 VanDerWaalsContact CD2-CD2 3.44Å; L683-L691 HydrophobicContact CD2-CG 4.45Å; Y686-L691 HydrophobicContact CD1-CB 4.18Å; Y686-L691 HydrophobicContact CD1-CD1 4.38Å; Y686-L691 HydrophobicContact CE1-CB 4.27Å; Y686-L691 HydrophobicContact CE1-CD1 4.09Å; G687-L691 PolarHBondContact O-N 3.41Å; G687-L691 VanDerWaalsContact O-N 3.11Å; A688-L691 PolarHBondContact O-N 3.19Å; E689-L691 PolarHBondContact O-N 2.98Å; L691-R693 VanDerWaalsContact C-N 3.33Å; L691-R693 PolarHBondContact O-N 2.94Å; L691-E694 PolarHBondContact O-N 2.96Å; L691-M695 HydrophobicContact CD2-SD 4.24Å; L691-M695 HydrophobicContact CG-CG 4.38Å; L691-M695 HydrophobicContact CG-SD 4.07Å; L691-M695 WeakPolarHBondContact O-CB 3.41Å; L691-M695 VanDerWaalsContact O-CG 3.27Å; L691-M695 WeakPolarHBondContact O-CG 3.36Å; L691-M695 PolarHBondContact O-N 3.43Å; L691-L714 HydrophobicContact CD2-CD2 4.13Å
692V98.6Very high96Very high12 Ų1240.8 Ų40.87%0.07322%0.22CC..Hα-helixtrans-60.4-42.5177.8165.30000111.4A688 E689 E694 M695 D696 P710 L714 A718A688-V692 WeakPolarHBondContact O-CB 3.04Å; A688-V692 WeakPolarHBondContact O-CG2 3.45Å; A688-V692 PolarHBondContact O-N 3.27Å; E689-V692 PolarHBondContact O-N 3.34Å; V692-E694 PolarHBondContact O-N 3.15Å; V692-M695 PolarHBondContact O-N 3.29Å; V692-D696 WeakPolarHBondContact CG1-OD2 3.41Å; V692-D696 WeakPolarHBondContact O-CB 3.4Å; V692-D696 PolarHBondContact O-N 2.82Å; V692-P710 HydrophobicContact CB-CG 4.42Å; V692-P710 HydrophobicContact CG1-CG 4.17Å; V692-P710 HydrophobicContact CG2-CB 3.99Å; V692-P710 HydrophobicContact CG2-CG 4.06Å; V692-L714 HydrophobicContact CG2-CD1 4.45Å; V692-L714 HydrophobicContact CG2-CD2 4.33Å; V692-L714 HydrophobicContact CG2-CG 3.84Å; V692-A718 HydrophobicContact CB-CB 3.99Å; V692-A718 HydrophobicContact CG1-CB 4.41Å; V692-A718 HydrophobicContact CG2-CB 3.63Å
693R98Very high95.5Very high168 Ų16845 Ų4563%0.63424%0.243SC*.Hα-helixtrans-60.8-43.7176.1-71.1175.7-174.7-160.83.7112.5E689 R690 L691 A697E689-R693 WeakPolarHBondContact O-CG 3.47Å; E689-R693 PolarHBondContact O-N 3.45Å; E689-R693 IonicContact OE1-CZ 3.94Å; E689-R693 IonicContact OE1-NE 3.43Å; E689-R693 PolarHBondContact OE1-NE 3.24Å; E689-R693 IonicContact OE1-NH2 2.74Å; E689-R693 PolarHBondContact OE1-NH2 2.79Å; R690-R693 PolarHBondContact O-N 3.32Å; L691-R693 VanDerWaalsContact C-N 3.33Å; L691-R693 PolarHBondContact O-N 2.94Å; R693-A697 PolarHBondContact O-N 2.97Å
694E97.5Very high95.1Very high34 Ų3450 Ų5016%0.15927%0.27CS..Hα-helixtrans-64.7-43.2176.1-71.4-179.716600111.3H633 M637 Y686 R690 L691 V692 A697 F698H633-E694 IonicContact CD2-OE1 2.81Å; H633-E694 IonicContact CE1-OE1 3.84Å; H633-E694 IonicContact NE2-OE1 2.99Å; H633-E694 PolarHBondContact NE2-OE1 3.49Å; M637-E694 WeakPolarHBondContact CE-OE2 3.43Å; M637-E694 WeakPolarHBondContact CG-OE2 3.32Å; Y686-E694 PolarHBondContact OH-OE1 3.18Å; Y686-E694 PolarHBondContact OH-OE2 3.31Å; R690-E694 IonicContact NE-OE1 3.8Å; R690-E694 PolarHBondContact O-N 3.42Å; R690-E694 VanDerWaalsContact O-N 3.17Å; L691-E694 PolarHBondContact O-N 2.96Å; V692-E694 PolarHBondContact O-N 3.15Å; E694-A697 WeakPolarHBondContact O-CB 3.47Å; E694-A697 PolarHBondContact O-N 3.17Å; E694-F698 HydrophobicContact CB-CE2 4.12Å; E694-F698 HydrophobicContact CB-CZ 4.21Å; E694-F698 VanDerWaalsContact O-CD2 3.25Å; E694-F698 WeakPolarHBondContact O-CD2 3.35Å; E694-F698 WeakPolarHBondContact O-CG 3.22Å; E694-F698 PolarHBondContact O-N 3.37Å
695M98.2Very high94.9Very high0 Ų049.7 Ų49.70%027%0.269CS..Hα-helixtrans-61.8-44.2176.3-74.4-178.273.600112.6C641 N645 L691 V692 A697 F698 H699 F708 P710 L714C641-M695 HydrophobicContact CB-CG 3.66Å; C641-M695 HydrophobicContact CB-SD 4.04Å; N645-M695 HydrophobicContact CB-CE 3.58Å; N645-M695 HydrophobicContact CB-SD 4.2Å; L691-M695 HydrophobicContact CD2-SD 4.24Å; L691-M695 HydrophobicContact CG-CG 4.38Å; L691-M695 HydrophobicContact CG-SD 4.07Å; L691-M695 WeakPolarHBondContact O-CB 3.41Å; L691-M695 VanDerWaalsContact O-CG 3.27Å; L691-M695 WeakPolarHBondContact O-CG 3.36Å; L691-M695 PolarHBondContact O-N 3.43Å; V692-M695 PolarHBondContact O-N 3.29Å; M695-A697 VanDerWaalsContact C-N 3.31Å; M695-A697 PolarHBondContact O-N 3.23Å; M695-F698 PolarHBondContact O-N 3.45Å; M695-H699 WeakPolarHBondContact O-CB 3.37Å; M695-H699 PolarHBondContact O-N 2.92Å; M695-F708 WeakPolarHBondContact CB-O 3.27Å; M695-F708 WeakPolarHBondContact CE-O 3.47Å; M695-P710 HydrophobicContact CB-CG 3.86Å; M695-P710 HydrophobicContact CE-CB 4.2Å; M695-P710 HydrophobicContact CE-CG 3.96Å; M695-P710 HydrophobicContact SD-CB 4.34Å; M695-P710 HydrophobicContact SD-CG 4.04Å; M695-L714 HydrophobicContact SD-CD2 3.8Å
696D97.7Very high94.9Very high53 Ų5348.1 Ų48.128%0.28326%0.257SS..Hα-helixtrans-64.9-35.3177-75-29.6000111.2V692 H699 A700 R715V692-D696 WeakPolarHBondContact CG1-OD2 3.41Å; V692-D696 WeakPolarHBondContact O-CB 3.4Å; V692-D696 PolarHBondContact O-N 2.82Å; D696-H699 WeakPolarHBondContact O-CB 3.42Å; D696-H699 PolarHBondContact O-N 3.43Å; D696-A700 PolarHBondContact O-N 2.84Å; D696-R715 IonicContact OD1-CZ 3.61Å; D696-R715 IonicContact OD1-NH1 3.73Å; D696-R715 PolarHBondContact OD1-NH1 3.48Å; D696-R715 IonicContact OD1-NH2 3.65Å; D696-R715 PolarHBondContact OD1-NH2 3.02Å; D696-R715 IonicContact OD2-CZ 3.64Å; D696-R715 IonicContact OD2-NH1 2.98Å; D696-R715 PolarHBondContact OD2-NH1 2.86Å; D696-R715 IonicContact OD2-NH2 2.67Å
697A96.3Very high94.9Very high49 Ų4946.9 Ų46.941%0.40525%0.252SS..Hα-helixtrans-65.2-44.7172.400000112.2R693 E694 M695 A700 A701R693-A697 PolarHBondContact O-N 2.97Å; E694-A697 WeakPolarHBondContact O-CB 3.47Å; E694-A697 PolarHBondContact O-N 3.17Å; M695-A697 VanDerWaalsContact C-N 3.31Å; M695-A697 PolarHBondContact O-N 3.23Å; A697-A700 PolarHBondContact O-N 3.49Å; A697-A701 WeakPolarHBondContact O-CB 3.24Å; A697-A701 PolarHBondContact O-N 3.46Å
698F95.9Very high94.9Very high4 Ų445.6 Ų45.62%0.01824%0.239CC..Hα-helixtrans-66.2-38.4175.7-56-29.3000112C629 E634 M637 R638 E694 M695 A700 A701 Y702 F708C629-F698 HydrophobicContact CB-CD1 3.66Å; C629-F698 HydrophobicContact CB-CE1 3.73Å; E634-F698 HydrophobicContact CB-CE1 4Å; E634-F698 HydrophobicContact CB-CZ 4.24Å; E634-F698 HydrophobicContact CG-CE1 4.09Å; E634-F698 HydrophobicContact CG-CZ 4.43Å; M637-F698 HydrophobicContact CB-CE2 3.99Å; M637-F698 HydrophobicContact CB-CZ 4.01Å; R638-F698 HydrophobicContact CG-CD1 4.07Å; R638-F698 HydrophobicContact CG-CD2 3.79Å; R638-F698 HydrophobicContact CG-CE1 4.13Å; R638-F698 HydrophobicContact CG-CE2 3.85Å; R638-F698 HydrophobicContact CG-CG 3.92Å; R638-F698 HydrophobicContact CG-CZ 4.02Å; E694-F698 HydrophobicContact CB-CE2 4.12Å; E694-F698 HydrophobicContact CB-CZ 4.21Å; E694-F698 VanDerWaalsContact O-CD2 3.25Å; E694-F698 WeakPolarHBondContact O-CD2 3.35Å; E694-F698 WeakPolarHBondContact O-CG 3.22Å; E694-F698 PolarHBondContact O-N 3.37Å; M695-F698 PolarHBondContact O-N 3.45Å; F698-A700 VanDerWaalsContact C-N 3.35Å; F698-A700 PolarHBondContact O-N 2.92Å; F698-A701 PolarHBondContact O-N 2.92Å; F698-Y702 WeakPolarHBondContact O-CB 3.32Å; F698-Y702 WeakPolarHBondContact O-CD2 3.26Å; F698-Y702 PolarHBondContact O-N 2.87Å; F698-Y702 VanDerWaalsContact O-N 3.08Å; F698-F708 HydrophobicContact CB-CB 4.17Å; F698-F708 HydrophobicContact CB-CD1 3.97Å; F698-F708 HydrophobicContact CB-CD2 3.53Å; F698-F708 HydrophobicContact CB-CE1 4.21Å; F698-F708 HydrophobicContact CB-CE2 3.76Å; F698-F708 HydrophobicContact CB-CG 3.64Å; F698-F708 HydrophobicContact CB-CZ 4.12Å; F698-F708 HydrophobicContact CD2-CD1 4.25Å; F698-F708 HydrophobicContact CD2-CE1 4.26Å
699H95.4Very high94.9Very high42 Ų4247.8 Ų47.819%0.19425%0.251CS..Hα-helixtrans-56.3-50.417417867.4000110.6M695 D696 N704 A705 F708 V709M695-H699 WeakPolarHBondContact O-CB 3.37Å; M695-H699 PolarHBondContact O-N 2.92Å; D696-H699 WeakPolarHBondContact O-CB 3.42Å; D696-H699 PolarHBondContact O-N 3.43Å; H699-N704 WeakPolarHBondContact CE1-CA 3.36Å; H699-N704 PolarHBondContact CE1-O 2.63Å; H699-N704 VanDerWaalsContact ND1-C 3.26Å; H699-N704 WeakPolarHBondContact O-CA 3.06Å; H699-N704 PolarHBondContact O-N 2.61Å; H699-A705 PolarHBondContact ND1-N 2.86Å; H699-A705 PolarHBondContact ND1-O 2.91Å; H699-A705 PolarHBondContact O-N 3.45Å; H699-F708 HydrophobicContact CB-CB 4Å; H699-V709 VanDerWaalsContact CE1-CG2 3.46Å; H699-V709 WeakPolarHBondContact CE1-CG2 3.42Å; H699-V709 WeakPolarHBondContact ND1-CG2 3.42Å
700A94.4Very high95Very high66 Ų6643.8 Ų43.855%0.54523%0.233SC..Hα-helixtrans-65.2-44.5178.800000112.9D696 A697 F698 Y702D696-A700 PolarHBondContact O-N 2.84Å; A697-A700 PolarHBondContact O-N 3.49Å; F698-A700 VanDerWaalsContact C-N 3.35Å; F698-A700 PolarHBondContact O-N 2.92Å; A700-Y702 VanDerWaalsContact C-N 3.29Å; A700-Y702 PolarHBondContact O-N 2.82Å
701A91.9Very high95Very high29 Ų2938.2 Ų38.224%0.2421%0.213CC..Hα-helixtrans-65.5-29.7-17800000113.4R627 A697 F698R627-A701 WeakPolarHBondContact CB-O 3.44Å; A697-A701 WeakPolarHBondContact O-CB 3.24Å; A697-A701 PolarHBondContact O-N 3.46Å; F698-A701 PolarHBondContact O-N 2.92Å
702Y90.1Very high95.1Very high21 Ų2143.1 Ų43.18%0.08224%0.239CC..THydrogen-bonded Turntrans-10646.2-177-70.6-94.1000112.8E527 R627 G628 C629 R638 F698 A700 N704 A705 F708E527-Y702 WeakPolarHBondContact OE1-CE1 3.46Å; R627-Y702 HydrophobicContact CB-CE1 4.35Å; G628-Y702 PolarHBondContact O-OH 2.79Å; C629-Y702 HydrophobicContact CB-CE2 4.26Å; R638-Y702 PolarHBondContact NH1-OH 2.89Å; F698-Y702 WeakPolarHBondContact O-CB 3.32Å; F698-Y702 WeakPolarHBondContact O-CD2 3.26Å; F698-Y702 PolarHBondContact O-N 2.87Å; F698-Y702 VanDerWaalsContact O-N 3.08Å; A700-Y702 VanDerWaalsContact C-N 3.29Å; A700-Y702 PolarHBondContact O-N 2.82Å; Y702-N704 PolarHBondContact O-N 2.85Å; Y702-A705 WeakPolarHBondContact O-CB 3.43Å; Y702-A705 PolarHBondContact O-N 3.19Å; Y702-F708 HydrophobicContact CD2-CE2 4.09Å; Y702-F708 HydrophobicContact CG-CE2 4.23Å
703D86.6Confident95Very high96 Ų9643.9 Ų43.951%0.51324%0.243SC..THydrogen-bonded Turntrans56.448175.4-61.3-32.5000114.4R627 A705R627-D703 IonicContact CZ-OD1 3.09Å; R627-D703 IonicContact CZ-OD2 3.84Å; R627-D703 IonicContact NE-OD2 2.9Å; R627-D703 IonicContact NH1-OD1 3.66Å; R627-D703 PolarHBondContact NH1-OD1 2.75Å; R627-D703 IonicContact NH1-OD2 2.83Å; R627-D703 PolarHBondContact NH1-OD2 2.85Å; R627-D703 IonicContact NH2-OD2 3.92Å; R627-D703 PolarHBondContact NH2-OD2 3.29Å; D703-A705 VanDerWaalsContact C-N 3.29Å; D703-A705 PolarHBondContact O-N 3.08Å
704N88.8Confident95.1Very high108 Ų10835.9 Ų35.958%0.57821%0.213SC*.SBendtrans55.446.8-174.5-56.2-50.2000111.5H699 Y702 P706H699-N704 WeakPolarHBondContact CE1-CA 3.36Å; H699-N704 PolarHBondContact CE1-O 2.63Å; H699-N704 VanDerWaalsContact ND1-C 3.26Å; H699-N704 WeakPolarHBondContact O-CA 3.06Å; H699-N704 PolarHBondContact O-N 2.61Å; Y702-N704 PolarHBondContact O-N 2.85Å; N704-P706 WeakPolarHBondContact O-CD 3.47Å
705A91Very high95.1Very high4 Ų438.2 Ų38.23%0.03322%0.22CC..  trans-57114-178.200000111.5H699 Y702 D703 E707 F708H699-A705 PolarHBondContact ND1-N 2.86Å; H699-A705 PolarHBondContact ND1-O 2.91Å; H699-A705 PolarHBondContact O-N 3.45Å; Y702-A705 WeakPolarHBondContact O-CB 3.43Å; Y702-A705 PolarHBondContact O-N 3.19Å; D703-A705 VanDerWaalsContact C-N 3.29Å; D703-A705 PolarHBondContact O-N 3.08Å; A705-E707 HydrophobicContact CB-CG 4.33Å; A705-E707 WeakPolarHBondContact CB-OE2 3.37Å; A705-E707 PolarHBondContact O-N 3.41Å; A705-F708 HydrophobicContact CB-CD2 3.79Å; A705-F708 HydrophobicContact CB-CE2 4.37Å; A705-F708 PolarHBondContact O-N 3.46Å; A705-F708 VanDerWaalsContact O-N 3.15Å
706P93.7Very high95Very high38 Ų3841.9 Ų41.925%0.24724%0.237CC..G310 helixtrans-64.5-24-175.325.2-33.9000113.3R572 N704 F708 V709R572-P706 HydrophobicContact CB-CG 3.7Å; N704-P706 WeakPolarHBondContact O-CD 3.47Å; P706-F708 PolarHBondContact O-N 3.49Å; P706-V709 PolarHBondContact O-N 2.99Å
707E93.8Very high95Very high11 Ų1140 Ų405%0.05123%0.226CC..G310 helixtrans-66.4-18.9176.863.4-96.6-131.600114.3R523 S576 A705R523-E707 IonicContact NH1-OE1 3.48Å; R523-E707 PolarHBondContact NH1-OE1 3.02Å; S576-E707 VanDerWaalsContact CB-OE1 3.25Å; S576-E707 WeakPolarHBondContact CB-OE1 3.45Å; S576-E707 WeakPolarHBondContact CB-OE2 3.43Å; S576-E707 PolarHBondContact OG-OE1 3.38Å; S576-E707 PolarHBondContact OG-OE2 3.28Å; A705-E707 HydrophobicContact CB-CG 4.33Å; A705-E707 WeakPolarHBondContact CB-OE2 3.37Å; A705-E707 PolarHBondContact O-N 3.41Å
708F96Very high95.1Very high0 Ų038.5 Ų38.50%021%0.214CC..G310 helixtrans-100.36.7175.5-63.5-53.8000113.3R523 R638 R642 M695 F698 H699 Y702 A705 P706 P710R523-F708 VanDerWaalsContact NH1-CE2 3.28Å; R638-F708 HydrophobicContact CB-CE1 4.17Å; R638-F708 HydrophobicContact CB-CZ 4.15Å; R638-F708 HydrophobicContact CG-CE1 4.22Å; R638-F708 HydrophobicContact CG-CZ 3.94Å; R642-F708 HydrophobicContact CG-CD1 4.02Å; R642-F708 HydrophobicContact CG-CE1 3.85Å; M695-F708 WeakPolarHBondContact CB-O 3.27Å; M695-F708 WeakPolarHBondContact CE-O 3.47Å; F698-F708 HydrophobicContact CB-CB 4.17Å; F698-F708 HydrophobicContact CB-CD1 3.97Å; F698-F708 HydrophobicContact CB-CD2 3.53Å; F698-F708 HydrophobicContact CB-CE1 4.21Å; F698-F708 HydrophobicContact CB-CE2 3.76Å; F698-F708 HydrophobicContact CB-CG 3.64Å; F698-F708 HydrophobicContact CB-CZ 4.12Å; F698-F708 HydrophobicContact CD2-CD1 4.25Å; F698-F708 HydrophobicContact CD2-CE1 4.26Å; H699-F708 HydrophobicContact CB-CB 4Å; Y702-F708 HydrophobicContact CD2-CE2 4.09Å; Y702-F708 HydrophobicContact CG-CE2 4.23Å; A705-F708 HydrophobicContact CB-CD2 3.79Å; A705-F708 HydrophobicContact CB-CE2 4.37Å; A705-F708 PolarHBondContact O-N 3.46Å; A705-F708 VanDerWaalsContact O-N 3.15Å; P706-F708 PolarHBondContact O-N 3.49Å; F708-P710 WeakPolarHBondContact O-CD 3.39Å
709V97.7Very high95.1Very high57 Ų5746.5 Ų46.535%0.34525%0.249SC..PPolyproline II helixtrans-74.7117.8174.3179.30000108.8N645 H699 P706N645-V709 PolarHBondContact ND2-O 3.49Å; H699-V709 VanDerWaalsContact CE1-CG2 3.46Å; H699-V709 WeakPolarHBondContact CE1-CG2 3.42Å; H699-V709 WeakPolarHBondContact ND1-CG2 3.42Å; P706-V709 PolarHBondContact O-N 2.99Å
710P98.4Very high94.9Very high3 Ų348.1 Ų48.12%0.01926%0.259CS..PPolyproline II helixtrans-59.9136.6171.8-19.832.6000111N645 V692 M695 F708 L714 R715N645-P710 WeakPolarHBondContact OD1-CA 3.49Å; V692-P710 HydrophobicContact CB-CG 4.42Å; V692-P710 HydrophobicContact CG1-CG 4.17Å; V692-P710 HydrophobicContact CG2-CB 3.99Å; V692-P710 HydrophobicContact CG2-CG 4.06Å; M695-P710 HydrophobicContact CB-CG 3.86Å; M695-P710 HydrophobicContact CE-CB 4.2Å; M695-P710 HydrophobicContact CE-CG 3.96Å; M695-P710 HydrophobicContact SD-CB 4.34Å; M695-P710 HydrophobicContact SD-CG 4.04Å; F708-P710 WeakPolarHBondContact O-CD 3.39Å; P710-L714 HydrophobicContact CB-CB 4.46Å; P710-L714 HydrophobicContact CB-CD2 4.02Å; P710-L714 HydrophobicContact CB-CG 4.3Å; P710-R715 HydrophobicContact CB-CG 3.8Å; P710-R715 VanDerWaalsContact CD-NH2 3.34Å
711C98.2Very high94.5Very high7 Ų749.1 Ų49.15%0.04726%0.262CS..PPolyproline II helixtrans-65.7161.5172.269.70000111.3N645 V648 M649 L713 L714 R715N645-C711 PolarHBondContact OD1-N 3.4Å; V648-C711 VanDerWaalsContact CG1-SG 3.57Å; M649-C711 HydrophobicContact CB-CB 4.1Å; M649-C711 HydrophobicContact CE-CB 3.66Å; M649-C711 HydrophobicContact CG-CB 4.2Å; C711-L713 VanDerWaalsContact C-N 3.31Å; C711-L713 PolarHBondContact O-N 3.4Å; C711-L714 PolarHBondContact O-N 3.03Å; C711-L714 VanDerWaalsContact O-N 3.09Å; C711-R715 PolarHBondContact O-N 3.42Å
712D98.4Very high94.3Very high103 Ų10353.6 Ų53.655%0.55128%0.282SS*.Hα-helixtrans-59.2-42.4-174.8-55.5-49.7000112.1Q652 L714 R715 E716Q652-D712 PolarHBondContact NE2-OD2 3.49Å; D712-L714 VanDerWaalsContact C-N 3.32Å; D712-L714 PolarHBondContact O-N 3.21Å; D712-R715 CarbonylContact O-C 3Å; D712-R715 PolarHBondContact O-N 2.81Å; D712-R715 VanDerWaalsContact O-N 3.17Å; D712-E716 WeakPolarHBondContact O-CB 3.33Å; D712-E716 WeakPolarHBondContact O-CG 3.17Å; D712-E716 PolarHBondContact O-N 3Å
713L98.2Very high94.4Very high29 Ų2957.2 Ų57.215%0.15230%0.295CS..Hα-helixtrans-62.6-39.2178.2-179.659.9000111.5V648 L651 Q652 C711 E716 H717 F725V648-L713 HydrophobicContact CG1-CB 3.89Å; V648-L713 HydrophobicContact CG1-CD2 3.77Å; V648-L713 HydrophobicContact CG1-CG 3.75Å; L651-L713 HydrophobicContact CB-CD2 4.42Å; L651-L713 HydrophobicContact CD2-CD2 4.04Å; L651-L713 HydrophobicContact CG-CD2 4.2Å; Q652-L713 HydrophobicContact CB-CB 4.03Å; Q652-L713 HydrophobicContact CB-CD2 4.13Å; Q652-L713 HydrophobicContact CG-CB 4.28Å; C711-L713 VanDerWaalsContact C-N 3.31Å; C711-L713 PolarHBondContact O-N 3.4Å; L713-E716 WeakPolarHBondContact O-CB 3.44Å; L713-E716 PolarHBondContact O-N 3.39Å; L713-H717 PolarHBondContact O-CD2 3.08Å; L713-H717 VanDerWaalsContact O-CD2 3.26Å; L713-H717 PolarHBondContact O-N 2.99Å; L713-F725 HydrophobicContact CD2-CE1 4.33Å
714L98.5Very high94.7Very high0 Ų055.7 Ų55.70%029%0.285CS..Hα-helixtrans-67.2-41.8174.8-179.757.2000111.3N645 V648 L683 A688 L691 V692 M695 P710 C711 D712 E716 H717 A718N645-L714 HydrophobicContact CB-CD2 4.3Å; V648-L714 HydrophobicContact CG1-CB 4.14Å; L683-L714 HydrophobicContact CD1-CD1 4Å; L683-L714 HydrophobicContact CD2-CD1 3.74Å; A688-L714 HydrophobicContact CB-CD1 4.07Å; L691-L714 HydrophobicContact CD2-CD2 4.13Å; V692-L714 HydrophobicContact CG2-CD1 4.45Å; V692-L714 HydrophobicContact CG2-CD2 4.33Å; V692-L714 HydrophobicContact CG2-CG 3.84Å; M695-L714 HydrophobicContact SD-CD2 3.8Å; P710-L714 HydrophobicContact CB-CB 4.46Å; P710-L714 HydrophobicContact CB-CD2 4.02Å; P710-L714 HydrophobicContact CB-CG 4.3Å; C711-L714 PolarHBondContact O-N 3.03Å; C711-L714 VanDerWaalsContact O-N 3.09Å; D712-L714 VanDerWaalsContact C-N 3.32Å; D712-L714 PolarHBondContact O-N 3.21Å; L714-E716 VanDerWaalsContact C-N 3.3Å; L714-E716 PolarHBondContact O-N 3.06Å; L714-H717 PolarHBondContact O-N 3.44Å; L714-A718 WeakPolarHBondContact O-CB 3.36Å; L714-A718 PolarHBondContact O-N 3.09Å
715R98.1Very high95Very high82 Ų8252.1 Ų52.131%0.30926%0.264SS..Hα-helixtrans-63.6-35.9174.3-67.9-162.9177.1-84.89.4112.2D696 P710 C711 D712 A718 K719D696-R715 IonicContact OD1-CZ 3.61Å; D696-R715 IonicContact OD1-NH1 3.73Å; D696-R715 PolarHBondContact OD1-NH1 3.48Å; D696-R715 IonicContact OD1-NH2 3.65Å; D696-R715 PolarHBondContact OD1-NH2 3.02Å; D696-R715 IonicContact OD2-CZ 3.64Å; D696-R715 IonicContact OD2-NH1 2.98Å; D696-R715 PolarHBondContact OD2-NH1 2.86Å; D696-R715 IonicContact OD2-NH2 2.67Å; P710-R715 HydrophobicContact CB-CG 3.8Å; P710-R715 VanDerWaalsContact CD-NH2 3.34Å; C711-R715 PolarHBondContact O-N 3.42Å; D712-R715 CarbonylContact O-C 3Å; D712-R715 PolarHBondContact O-N 2.81Å; D712-R715 VanDerWaalsContact O-N 3.17Å; R715-A718 PolarHBondContact O-N 2.75Å; R715-K719 WeakPolarHBondContact O-CG 3.41Å; R715-K719 PolarHBondContact O-N 2.75Å
716E97Very high95.1Very high77 Ų7753.9 Ų53.936%0.3627%0.271SS..Hα-helixtrans-64.2-44.1175-81.7-173.8-163.200112.5D712 L713 L714 A718 K719 R723D712-E716 WeakPolarHBondContact O-CB 3.33Å; D712-E716 WeakPolarHBondContact O-CG 3.17Å; D712-E716 PolarHBondContact O-N 3Å; L713-E716 WeakPolarHBondContact O-CB 3.44Å; L713-E716 PolarHBondContact O-N 3.39Å; L714-E716 VanDerWaalsContact C-N 3.3Å; L714-E716 PolarHBondContact O-N 3.06Å; E716-A718 VanDerWaalsContact C-N 3.26Å; E716-A718 PolarHBondContact O-N 2.79Å; E716-K719 PolarHBondContact O-N 3.1Å; E716-R723 IonicContact OE2-CZ 2.8Å; E716-R723 IonicContact OE2-NH1 3.58Å; E716-R723 PolarHBondContact OE2-NH1 3.24Å; E716-R723 IonicContact OE2-NH2 2.64Å; E716-R723 PolarHBondContact OE2-NH2 2.7Å
717H97Very high94.1Very high14 Ų1459.3 Ų59.37%0.06530%0.303CS..Hα-helixtrans-64.5-32172.9-84.5-103.7000112A688 L713 L714 K719 D720 R723 F725A688-H717 HydrophobicContact CB-CB 3.77Å; L713-H717 PolarHBondContact O-CD2 3.08Å; L713-H717 VanDerWaalsContact O-CD2 3.26Å; L713-H717 PolarHBondContact O-N 2.99Å; L714-H717 PolarHBondContact O-N 3.44Å; H717-K719 VanDerWaalsContact C-N 3.28Å; H717-K719 PolarHBondContact O-N 3.27Å; H717-D720 VanDerWaalsContact O-O 3.07Å; H717-R723 PolarHBondContact ND1-O 2.85Å; H717-F725 AromaticContact CD2-CZ 3.92Å; H717-F725 AromaticContact CE1-CD1 3.86Å; H717-F725 AromaticContact CE1-CE1 3.82Å; H717-F725 AromaticContact CE1-CE2 4Å; H717-F725 AromaticContact CE1-CG 3.98Å; H717-F725 AromaticContact CE1-CZ 3.89Å; H717-F725 AromaticContact ND1-CE2 3.93Å; H717-F725 AromaticContact NE2-CE1 3.62Å; H717-F725 AromaticContact NE2-CZ 3.8Å
718A97.4Very high92.3Very high17 Ų1765.1 Ų65.114%0.1433%0.333CS..Hα-helixtrans-71.5-16176.500000114.6A688 E689 V692 L714 R715 E716A688-A718 HydrophobicContact CB-CB 4.31Å; E689-A718 HydrophobicContact CB-CB 4.44Å; V692-A718 HydrophobicContact CB-CB 3.99Å; V692-A718 HydrophobicContact CG1-CB 4.41Å; V692-A718 HydrophobicContact CG2-CB 3.63Å; L714-A718 WeakPolarHBondContact O-CB 3.36Å; L714-A718 PolarHBondContact O-N 3.09Å; R715-A718 PolarHBondContact O-N 2.75Å; E716-A718 VanDerWaalsContact C-N 3.26Å; E716-A718 PolarHBondContact O-N 2.79Å
719K96.8Very high92.1Very high173 Ų17368.4 Ų68.475%0.75235%0.349SS*.THydrogen-bonded Turntrans-76.5-21.5179.4-73.1169.9-172.4174.80113.7R715 E716 H717R715-K719 WeakPolarHBondContact O-CG 3.41Å; R715-K719 PolarHBondContact O-N 2.75Å; E716-K719 PolarHBondContact O-N 3.1Å; H717-K719 VanDerWaalsContact C-N 3.28Å; H717-K719 PolarHBondContact O-N 3.27Å
720D91.7Very high91.8Very high75 Ų7569 Ų6940%0.40135%0.35SS..  trans-136.4114-179.2176.83.9000109.3H717 N722 R723H717-D720 VanDerWaalsContact O-O 3.07Å; D720-N722 PolarHBondContact O-N 2.99Å; D720-N722 WeakPolarHBondContact OD1-CB 3.09Å; D720-N722 PolarHBondContact OD1-N 3.34Å; D720-N722 PolarHBondContact OD1-ND2 3.03Å; D720-R723 HydrophobicContact CB-CB 4.01Å; D720-R723 WeakPolarHBondContact O-CB 3.44Å; D720-R723 PolarHBondContact O-N 2.81Å
721S85.3Confident91.4Very high88 Ų8872.7 Ų72.762%0.61537%0.368SS*.THydrogen-bonded Turntrans-61.8-16.3-178.959.30000113.9
722N86.8Confident91Very high123 Ų12376.5 Ų76.566%0.65839%0.387SS*.THydrogen-bonded Turntrans-92.6-5.2176.2-56.4-57.8000113.1D720 H724D720-N722 PolarHBondContact O-N 2.99Å; D720-N722 WeakPolarHBondContact OD1-CB 3.09Å; D720-N722 PolarHBondContact OD1-N 3.34Å; D720-N722 PolarHBondContact OD1-ND2 3.03Å; N722-H724 PolarHBondContact O-CD2 3.17Å; N722-H724 VanDerWaalsContact O-CD2 3.29Å; N722-H724 PolarHBondContact O-N 3.17Å
723R92.3Very high90.6Very high97 Ų9774.9 Ų74.937%0.36638%0.376SS..  trans-84100.5-178-171.9172.9170.8177.8-6.3110.8E716 H717 D720E716-R723 IonicContact OE2-CZ 2.8Å; E716-R723 IonicContact OE2-NH1 3.58Å; E716-R723 PolarHBondContact OE2-NH1 3.24Å; E716-R723 IonicContact OE2-NH2 2.64Å; E716-R723 PolarHBondContact OE2-NH2 2.7Å; H717-R723 PolarHBondContact ND1-O 2.85Å; D720-R723 HydrophobicContact CB-CB 4.01Å; D720-R723 WeakPolarHBondContact O-CB 3.44Å; D720-R723 PolarHBondContact O-N 2.81Å
724H94.3Very high90.1Very high64 Ų6477.9 Ų77.930%0.29639%0.391SS..  trans-107.4156.5179.8-64.2-60.1000112.6D684 N722 Y726D684-H724 HydrophobicContact CB-CB 4.39Å; D684-H724 PolarHBondContact O-CE1 3.49Å; D684-H724 WeakPolarHBondContact OD1-CA 3.47Å; D684-H724 WeakPolarHBondContact OD1-CB 3.49Å; D684-H724 IonicContact OD1-CG 3.42Å; D684-H724 IonicContact OD1-ND1 3.47Å; D684-H724 PolarHBondContact OD1-ND1 2.57Å; N722-H724 PolarHBondContact O-CD2 3.17Å; N722-H724 VanDerWaalsContact O-CD2 3.29Å; N722-H724 PolarHBondContact O-N 3.17Å; H724-Y726 VanDerWaalsContact C-N 3.33Å; H724-Y726 WeakPolarHBondContact CB-O 3.43Å
725F95.4Very high89.5Confident32 Ų3283.5 Ų83.514%0.1442%0.419CS..SBendtrans-72.7-30.8169.7-72.3-76.7000111.8V648 L651 P659 F680 L683 D684 L713 H717V648-F725 HydrophobicContact CG1-CZ 4Å; V648-F725 HydrophobicContact CG2-CE2 4.41Å; V648-F725 HydrophobicContact CG2-CZ 4.05Å; L651-F725 HydrophobicContact CD2-CD1 4.11Å; L651-F725 HydrophobicContact CD2-CE1 3.79Å; P659-F725 HydrophobicContact CB-CB 4.23Å; P659-F725 HydrophobicContact CB-CD1 4.42Å; P659-F725 HydrophobicContact CG-CB 4.18Å; P659-F725 HydrophobicContact CG-CD1 3.83Å; P659-F725 HydrophobicContact CG-CG 4.38Å; F680-F725 HydrophobicContact CB-CB 4.28Å; F680-F725 HydrophobicContact CB-CD2 4.24Å; F680-F725 HydrophobicContact CB-CG 4.21Å; F680-F725 AromaticContact CD1-CD1 3.75Å; F680-F725 HydrophobicContact CD1-CD1 3.75Å; F680-F725 AromaticContact CD1-CD2 3.96Å; F680-F725 HydrophobicContact CD1-CD2 3.96Å; F680-F725 AromaticContact CD1-CE1 3.79Å; F680-F725 HydrophobicContact CD1-CE1 3.79Å; F680-F725 AromaticContact CD1-CE2 4Å; F680-F725 HydrophobicContact CD1-CE2 4Å; F680-F725 AromaticContact CD1-CG 3.83Å; F680-F725 HydrophobicContact CD1-CG 3.83Å; F680-F725 AromaticContact CD1-CZ 3.91Å; F680-F725 HydrophobicContact CD1-CZ 3.91Å; F680-F725 HydrophobicContact CE1-CD1 4.36Å; F680-F725 HydrophobicContact CE1-CE1 4.05Å; F680-F725 HydrophobicContact CE1-CZ 4.24Å; L683-F725 HydrophobicContact CB-CD2 4.39Å; L683-F725 HydrophobicContact CB-CE2 4.24Å; L683-F725 HydrophobicContact CD1-CD2 4.48Å; L683-F725 HydrophobicContact CD1-CE2 3.69Å; L683-F725 HydrophobicContact CD1-CZ 4.44Å; D684-F725 PolarHBondContact OD1-N 2.88Å; D684-F725 PolarHBondContact OD2-N 2.85Å; L713-F725 HydrophobicContact CD2-CE1 4.33Å; H717-F725 AromaticContact CD2-CZ 3.92Å; H717-F725 AromaticContact CE1-CD1 3.86Å; H717-F725 AromaticContact CE1-CE1 3.82Å; H717-F725 AromaticContact CE1-CE2 4Å; H717-F725 AromaticContact CE1-CG 3.98Å; H717-F725 AromaticContact CE1-CZ 3.89Å; H717-F725 AromaticContact ND1-CE2 3.93Å; H717-F725 AromaticContact NE2-CE1 3.62Å; H717-F725 AromaticContact NE2-CZ 3.8Å
726Y91.9Very high88.8Confident42 Ų4283.6 Ų83.617%0.16543%0.428CS..SBendtrans-115141.2176.4-58.2-73.4000111H304 P659 A660 D663 F680 R681 D684 H724 I728H304-Y726 AromaticContact CE1-CD1 3.94Å; H304-Y726 AromaticContact CE1-CE1 3.37Å; H304-Y726 WeakPolarHBondContact CE1-CE1 3.45Å; H304-Y726 AromaticContact CE1-CE2 3.65Å; H304-Y726 AromaticContact CE1-CZ 3.19Å; H304-Y726 PolarHBondContact CE1-OH 2.81Å; H304-Y726 AromaticContact NE2-CE2 3.69Å; H304-Y726 AromaticContact NE2-CZ 3.54Å; H304-Y726 PolarHBondContact NE2-OH 3.39Å; P659-Y726 HydrophobicContact CB-CE1 4.13Å; P659-Y726 HydrophobicContact CB-CE2 4.31Å; P659-Y726 VanDerWaalsContact CB-OH 3.31Å; P659-Y726 WeakPolarHBondContact CB-OH 3.31Å; P659-Y726 PolarHBondContact O-OH 2.89Å; A660-Y726 VanDerWaalsContact CA-OH 3.23Å; A660-Y726 WeakPolarHBondContact CA-OH 3.35Å; A660-Y726 HydrophobicContact CB-CE1 4.41Å; A660-Y726 PolarHBondContact N-OH 2.72Å; D663-Y726 WeakPolarHBondContact OD2-CE2 3.47Å; D663-Y726 PolarHBondContact OD2-OH 2.66Å; F680-Y726 HydrophobicContact CB-CE2 3.86Å; R681-Y726 HydrophobicContact CB-CD2 4.43Å; R681-Y726 HydrophobicContact CB-CE2 4.14Å; D684-Y726 VanDerWaalsContact OD2-CD2 3.28Å; D684-Y726 WeakPolarHBondContact OD2-CD2 3.49Å; D684-Y726 PolarHBondContact OD2-N 2.87Å; H724-Y726 VanDerWaalsContact C-N 3.33Å; H724-Y726 WeakPolarHBondContact CB-O 3.43Å; Y726-I728 PolarHBondContact O-N 2.79Å
727V73Confident88.1Confident152 Ų15284.2 Ų84.292%0.92143%0.434SS*.  trans-68118165.5-174.60000106.9
728I55.7Low87.3Confident133 Ų13390.5 Ų90.568%0.68247%0.467SS*.  trans-75.20-177.2-61.5179.3000111.3Y726Y726-I728 PolarHBondContact O-N 2.79Å

Retrieved 728 of 728 residues in 243.4 ms (Link to these results)

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