A0A077ZCP1_TRITR Loading...

RibD C and IGPS domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZCP1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 394 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M81.8Confident92.7Very high13 Ų1318.8 Ų18.86%0.0649%0.089CC..  0113.20-175.958.466.500106.4V176 I179 K180 Y183 G185 I186 V209 S373M1-V176 HydrophobicContact CB-CG1 4.46Å; M1-V176 HydrophobicContact CE-CG1 3.96Å; M1-V176 HydrophobicContact CG-CG1 3.84Å; M1-I179 HydrophobicContact CE-CD1 3.69Å; M1-K180 HydrophobicContact CE-CB 3.76Å; M1-Y183 WeakPolarHBondContact CE-O 3.36Å; M1-G185 WeakPolarHBondContact SD-CA 3.42Å; M1-I186 HydrophobicContact CG-CD1 4.47Å; M1-I186 HydrophobicContact CG-CG1 4.2Å; M1-I186 HydrophobicContact CG-CG2 4.43Å; M1-I186 HydrophobicContact SD-CG2 3.89Å; M1-V209 HydrophobicContact CB-CG2 3.22Å; M1-V209 HydrophobicContact CG-CG2 4.48Å; M1-S373 PolarHBondContact N-OG 2.92Å
2H88.3Confident92.2Very high93 Ų9322.3 Ų22.343%0.43111%0.114SC..EExtended strand (participates in β ladder)trans-72.6140.5168.9-67.5-75.9000109.2S36 H184 G185 I186H2-S36 WeakPolarHBondContact CB-OG 3.46Å; H2-S36 PolarHBondContact ND1-OG 3.45Å; H2-H184 PolarHBondContact CD2-O 3.41Å; H2-H184 PolarHBondContact N-O 2.87Å; H2-G185 CarbonylContact O-C 3.52Å; H2-G185 WeakPolarHBondContact O-CA 3.48Å; H2-I186 PolarHBondContact O-N 2.85Å
3V90.9Very high91.6Very high0 Ų023.6 Ų23.60%013%0.127CC..EExtended strand (participates in β ladder)trans-115.4123.1174.6178.90000107.3V35 S36 I186 V188 L192 V202 Q206V3-V35 HydrophobicContact CG1-CG1 4.4Å; V3-V35 CarbonylContact O-C 3.59Å; V3-V35 WeakPolarHBondContact O-CA 3.45Å; V3-V35 WeakPolarHBondContact O-CB 3.46Å; V3-S36 PolarHBondContact O-N 3.04Å; V3-I186 HydrophobicContact CG2-CD1 4.2Å; V3-I186 HydrophobicContact CG2-CG1 4.05Å; V3-V188 HydrophobicContact CG1-CG2 4.37Å; V3-L192 HydrophobicContact CG1-CD1 4.22Å; V3-V202 HydrophobicContact CB-CG1 4.43Å; V3-Q206 HydrophobicContact CG2-CG 3.73Å
4I97Very high91.1Very high15 Ų1530.1 Ų30.18%0.07715%0.153CC..EExtended strand (participates in β ladder)trans-96.5114.7168.7-54.2-178.3000107.1A37 I165 I186 L187 V188I4-A37 WeakPolarHBondContact CA-O 3.4Å; I4-A37 HydrophobicContact CG1-CB 4.2Å; I4-A37 HydrophobicContact CG2-CB 4.16Å; I4-I165 HydrophobicContact CD1-CG2 4.17Å; I4-I186 PolarHBondContact N-O 3.08Å; I4-L187 HydrophobicContact CB-CB 4.21Å; I4-L187 HydrophobicContact CB-CG 4.1Å; I4-L187 HydrophobicContact CG2-CD1 4.16Å; I4-L187 HydrophobicContact CG2-CG 4.05Å; I4-V188 PolarHBondContact O-N 3.48Å
5G96.9Very high91Very high0 Ų030.9 Ų30.90%017%0.171CC..EExtended strand (participates in β ladder)trans-84.2121.417800000110.8A37 I38 S39G5-A37 PolarHBondContact N-O 2.72Å; G5-I38 CarbonylContact O-C 3.57Å; G5-I38 VanDerWaalsContact O-CA 3.32Å; G5-I38 WeakPolarHBondContact O-CA 3.34Å; G5-S39 PolarHBondContact O-N 3.39Å
6E97.7Very high90.8Very high9 Ų933.8 Ų33.84%0.04219%0.19CC..EExtended strand (participates in β ladder)trans-99129-179.1179.1-167-108.600111.5K8 Y30 S39 L41 K68 L187 V188 G189E6-K8 HydrophobicContact CG-CB 4.29Å; E6-K8 WeakPolarHBondContact OE2-CD 3.42Å; E6-K8 WeakPolarHBondContact OE2-CE 3.31Å; E6-K8 IonicContact OE2-NZ 3.07Å; E6-K8 PolarHBondContact OE2-NZ 3.31Å; E6-Y30 PolarHBondContact O-OH 2.91Å; E6-S39 CarbonylContact C-O 3.46Å; E6-S39 VanDerWaalsContact CA-O 3.29Å; E6-S39 WeakPolarHBondContact CA-O 3.12Å; E6-L41 VanDerWaalsContact CD-CD2 3.44Å; E6-L41 HydrophobicContact CG-CD2 3.32Å; E6-L41 WeakPolarHBondContact OE1-CD2 3.42Å; E6-K68 WeakPolarHBondContact OE1-CD 3.23Å; E6-K68 VanDerWaalsContact OE1-CE 3.27Å; E6-K68 WeakPolarHBondContact OE1-CE 3.34Å; E6-L187 HydrophobicContact CB-CD2 3.83Å; E6-L187 HydrophobicContact CG-CD2 4.3Å; E6-V188 PolarHBondContact N-O 3.02Å; E6-G189 WeakPolarHBondContact OE2-CA 3.16Å
7I96.5Very high90.4Very high6 Ų633 Ų333%0.03119%0.185CC..EExtended strand (participates in β ladder)trans-93.1114.8171.8-62.4177000108I23 Q26 A27 Y30 I38 S39 V40 L41 V57I7-I23 HydrophobicContact CG2-CB 4.24Å; I7-I23 HydrophobicContact CG2-CG2 3.78Å; I7-Q26 HydrophobicContact CG1-CG 4.31Å; I7-A27 HydrophobicContact CD1-CB 3.83Å; I7-Y30 HydrophobicContact CG1-CD2 4.2Å; I7-Y30 HydrophobicContact CG1-CE2 3.8Å; I7-I38 HydrophobicContact CD1-CG2 3.8Å; I7-I38 HydrophobicContact CG1-CG2 4.08Å; I7-S39 PolarHBondContact N-O 3.47Å; I7-V40 HydrophobicContact CD1-CG2 4.49Å; I7-L41 PolarHBondContact O-N 3.43Å; I7-V57 HydrophobicContact CD1-CG2 4.02Å
8K93.7Very high90Very high14 Ų1434.4 Ų34.46%0.06119%0.192CC..  trans-147111.1-172.1-178.4169.463.5-160.40111.9E6 A10 I17 L41 F47 M193E6-K8 HydrophobicContact CG-CB 4.29Å; E6-K8 WeakPolarHBondContact OE2-CD 3.42Å; E6-K8 WeakPolarHBondContact OE2-CE 3.31Å; E6-K8 IonicContact OE2-NZ 3.07Å; E6-K8 PolarHBondContact OE2-NZ 3.31Å; K8-A10 WeakPolarHBondContact CG-O 3.36Å; K8-I17 HydrophobicContact CD-CD1 4.24Å; K8-I17 HydrophobicContact CG-CD1 4.15Å; K8-L41 HydrophobicContact CB-CD2 4.07Å; K8-L41 HydrophobicContact CB-CG 4.4Å; K8-L41 HydrophobicContact CD-CD2 4.34Å; K8-L41 HydrophobicContact CD-CG 4.37Å; K8-L41 HydrophobicContact CG-CD2 4.32Å; K8-L41 HydrophobicContact CG-CG 4.22Å; K8-F47 HydrophobicContact CD-CD1 3.97Å; K8-F47 HydrophobicContact CD-CE1 4.24Å; K8-F47 HydrophobicContact CG-CD1 4.24Å; K8-M193 WeakPolarHBondContact O-CE 3.4Å
9R93.1Very high89.6Confident42 Ų4238.3 Ų38.316%0.15821%0.209CC..SBendtrans-72.8-43.2178.2-65.2-166-170.890.90.4112.6I17 N18 V21 M48 D53R9-I17 WeakPolarHBondContact O-CA 3.39Å; R9-I17 WeakPolarHBondContact O-CB 3.23Å; R9-I17 PolarHBondContact O-N 3.14Å; R9-N18 PolarHBondContact O-N 2.9Å; R9-N18 VanDerWaalsContact O-N 3.08Å; R9-V21 HydrophobicContact CG-CG1 3.79Å; R9-M48 HydrophobicContact CB-CB 4.22Å; R9-M48 PolarHBondContact NH1-O 3.11Å; R9-D53 IonicContact CZ-OD1 2.69Å; R9-D53 IonicContact CZ-OD2 3.74Å; R9-D53 IonicContact NH1-OD1 3.57Å; R9-D53 IonicContact NH1-OD2 2.65Å; R9-D53 PolarHBondContact NH1-OD2 3.05Å; R9-D53 IonicContact NH2-OD1 3.06Å; R9-D53 PolarHBondContact NH2-OD1 3.39Å; R9-D53 IonicContact NH2-OD2 2.93Å; R9-D53 PolarHBondContact NH2-OD2 2.99Å
10A92.4Very high89.4Confident7 Ų743.9 Ų43.96%0.05824%0.238CC..EExtended strand (participates in β ladder)trans-140.3169.7-179.400000112.2K8 G15 F47 M48K8-A10 WeakPolarHBondContact CG-O 3.36Å; A10-G15 CarbonylContact C-O 3.49Å; A10-G15 WeakPolarHBondContact CA-O 3.35Å; A10-G15 WeakPolarHBondContact CB-O 3.38Å; A10-F47 PolarHBondContact N-O 3.2Å; A10-F47 VanDerWaalsContact O-CD1 3.27Å; A10-F47 WeakPolarHBondContact O-CD1 3.39Å; A10-M48 HydrophobicContact CB-CB 4.34Å; A10-M48 HydrophobicContact CB-CG 3.92Å; A10-M48 HydrophobicContact CB-SD 3.73Å
11S90.8Very high89.3Confident8 Ų842.5 Ų42.56%0.05623%0.231CC..EExtended strand (participates in β ladder)trans-150.8155.6167.172.10000111.6S13 K14 G15S11-S13 PolarHBondContact O-N 2.66Å; S11-S13 VanDerWaalsContact O-N 3.11Å; S11-S13 PolarHBondContact OG-OG 3.11Å; S11-K14 PolarHBondContact O-N 2.84Å; S11-K14 VanDerWaalsContact O-N 3.16Å; S11-K14 WeakPolarHBondContact OG-CB 3.46Å; S11-K14 PolarHBondContact OG-N 3.28Å; S11-G15 PolarHBondContact N-O 3.11Å; S11-G15 WeakPolarHBondContact O-CA 3.36Å; S11-G15 PolarHBondContact O-N 3.16Å
12P87Confident89.8Confident61 Ų6146.5 Ų46.540%0.39625%0.253SS..THydrogen-bonded Turntrans-54.9-34.8177.1-2936.9000113.8F46 F145P12-F46 WeakPolarHBondContact CD-O 3.43Å; P12-F46 HydrophobicContact CG-CB 3.92Å; P12-F46 HydrophobicContact CG-CD1 4.25Å; P12-F46 HydrophobicContact CG-CG 4.44Å; P12-F145 HydrophobicContact CB-CE1 3.92Å; P12-F145 HydrophobicContact CB-CE2 4.5Å; P12-F145 HydrophobicContact CB-CZ 3.8Å
13S85Confident90.1Very high39 Ų3942.9 Ų42.927%0.27324%0.237SC..THydrogen-bonded Turntrans-83.1-18.1-175.868.70000115.3S11 R140S11-S13 PolarHBondContact O-N 2.66Å; S11-S13 VanDerWaalsContact O-N 3.11Å; S11-S13 PolarHBondContact OG-OG 3.11Å; S13-R140 PolarHBondContact OG-NH1 2.91Å
14K84.8Confident90.3Very high115 Ų11545.3 Ų45.350%0.525%0.249SC..THydrogen-bonded Turntrans-128-7.4-172.8-64.7-63.2-176.3-173.60114S11 I17S11-K14 PolarHBondContact O-N 2.84Å; S11-K14 VanDerWaalsContact O-N 3.16Å; S11-K14 WeakPolarHBondContact OG-CB 3.46Å; S11-K14 PolarHBondContact OG-N 3.28Å; K14-I17 HydrophobicContact CB-CG1 4.34Å
15G88.7Confident90.2Very high41 Ų4149.7 Ų49.742%0.42327%0.269SS..EExtended strand (participates in β ladder)trans62.9-143.7-166.800000110.8A10 S11 I17A10-G15 CarbonylContact C-O 3.49Å; A10-G15 WeakPolarHBondContact CA-O 3.35Å; A10-G15 WeakPolarHBondContact CB-O 3.38Å; S11-G15 PolarHBondContact N-O 3.11Å; S11-G15 WeakPolarHBondContact O-CA 3.36Å; S11-G15 PolarHBondContact O-N 3.16Å; G15-I17 PolarHBondContact O-N 3.19Å
16V87.7Confident90Very high78 Ų7850.9 Ų50.947%0.47328%0.275SS..EExtended strand (participates in β ladder)trans-68.6125.1178.2179.40000110.6E19 M48V16-E19 HydrophobicContact CG1-CB 3.73Å; V16-M48 HydrophobicContact CG2-SD 4.06Å
17I84.2Confident89.9Confident20 Ų2050.5 Ų50.510%0.10327%0.273CS..SBendtrans-95.2-52.1175.6-59.2174.7000109.6K8 R9 K14 G15 M193 R194K8-I17 HydrophobicContact CD-CD1 4.24Å; K8-I17 HydrophobicContact CG-CD1 4.15Å; R9-I17 WeakPolarHBondContact O-CA 3.39Å; R9-I17 WeakPolarHBondContact O-CB 3.23Å; R9-I17 PolarHBondContact O-N 3.14Å; K14-I17 HydrophobicContact CB-CG1 4.34Å; G15-I17 PolarHBondContact O-N 3.19Å; I17-M193 HydrophobicContact CG2-CB 4.2Å; I17-R194 HydrophobicContact CG2-CG 4.47Å
18N83.6Confident89.7Confident59 Ų5955.9 Ų55.932%0.31629%0.293SS..  trans-157.497174.9-171.7-2.5000109.4R9 N20 V21 M193R9-N18 PolarHBondContact O-N 2.9Å; R9-N18 VanDerWaalsContact O-N 3.08Å; N18-N20 PolarHBondContact OD1-N 3.42Å; N18-V21 HydrophobicContact CB-CB 4.24Å; N18-V21 WeakPolarHBondContact O-CG1 3.17Å; N18-V21 PolarHBondContact OD1-N 3.28Å; N18-M193 HydrophobicContact CB-CE 4.29Å
19E82.1Confident89.5Confident108 Ų10856.5 Ų56.551%0.50530%0.299SS..THydrogen-bonded Turntrans-68.9-38.3-178.6-173.7170-160.700112.4V16 V21 M48V16-E19 HydrophobicContact CG1-CB 3.73Å; E19-V21 VanDerWaalsContact C-N 3.3Å; E19-V21 PolarHBondContact O-N 3.24Å; E19-M48 HydrophobicContact CG-CE 4.13Å
20N85.2Confident89.4Confident149 Ų14954.5 Ų54.580%0.79729%0.292SS*.THydrogen-bonded Turntrans-93.422.1-174.9-60.3-43.7000112.9N18 D22N18-N20 PolarHBondContact OD1-N 3.42Å; N20-D22 PolarHBondContact O-N 3.46Å
21V87.4Confident89.2Confident15 Ų1556.7 Ų56.79%0.09130%0.3CS..  trans-64.1125.5178.163.20000110R9 N18 E19 I23 Q26 M193R9-V21 HydrophobicContact CG-CG1 3.79Å; N18-V21 HydrophobicContact CB-CB 4.24Å; N18-V21 WeakPolarHBondContact O-CG1 3.17Å; N18-V21 PolarHBondContact OD1-N 3.28Å; E19-V21 VanDerWaalsContact C-N 3.3Å; E19-V21 PolarHBondContact O-N 3.24Å; V21-I23 HydrophobicContact CG1-CG2 3.94Å; V21-I23 PolarHBondContact O-N 3.17Å; V21-I23 VanDerWaalsContact O-N 3.08Å; V21-Q26 HydrophobicContact CG2-CB 4.1Å; V21-Q26 HydrophobicContact CG2-CG 4.35Å; V21-M193 HydrophobicContact CB-CE 4.12Å; V21-M193 HydrophobicContact CG1-CE 4.11Å; V21-M193 HydrophobicContact CG2-CE 3.85Å
22D92.9Very high88.8Confident98 Ų9860.5 Ų60.552%0.52433%0.332SS..  trans-72.398.3162.9-178.4-21.2000108.1N20 L24 Q25 Q26N20-D22 PolarHBondContact O-N 3.46Å; D22-L24 PolarHBondContact O-N 3.18Å; D22-L24 PolarHBondContact OD1-N 2.92Å; D22-Q25 HydrophobicContact CB-CB 3.91Å; D22-Q25 VanDerWaalsContact CG-CB 3.44Å; D22-Q25 PolarHBondContact O-N 3.28Å; D22-Q25 PolarHBondContact OD1-N 2.75Å; D22-Q26 WeakPolarHBondContact O-CB 3.48Å; D22-Q26 PolarHBondContact O-N 3.37Å
23I94.5Very high88.5Confident17 Ų1758 Ų589%0.08732%0.318CS..Hα-helixtrans-62.4-30.4-176.357.4163.8000112.9I7 V21 A27 D53 V57I7-I23 HydrophobicContact CG2-CB 4.24Å; I7-I23 HydrophobicContact CG2-CG2 3.78Å; V21-I23 HydrophobicContact CG1-CG2 3.94Å; V21-I23 PolarHBondContact O-N 3.17Å; V21-I23 VanDerWaalsContact O-N 3.08Å; I23-A27 VanDerWaalsContact O-CB 3.28Å; I23-A27 WeakPolarHBondContact O-CB 3.5Å; I23-A27 PolarHBondContact O-N 3.23Å; I23-D53 HydrophobicContact CD1-CB 3.5Å; I23-D53 WeakPolarHBondContact CD1-OD1 3.47Å; I23-V57 HydrophobicContact CD1-CG2 4.47Å
24L96Very high88.4Confident51 Ų5158.1 Ų58.127%0.26732%0.324SS..Hα-helixtrans-78.1-42.5-177.9-58.1-174.5000109.9D22 Q26 A27 R28 A56 V57 V60D22-L24 PolarHBondContact O-N 3.18Å; D22-L24 PolarHBondContact OD1-N 2.92Å; L24-Q26 VanDerWaalsContact C-N 3.29Å; L24-Q26 PolarHBondContact O-N 2.74Å; L24-A27 PolarHBondContact O-N 2.81Å; L24-R28 WeakPolarHBondContact O-CG 3.44Å; L24-R28 PolarHBondContact O-N 3.25Å; L24-A56 HydrophobicContact CD2-CB 3.73Å; L24-V57 HydrophobicContact CD2-CG2 4.27Å; L24-V60 HydrophobicContact CB-CG2 4.49Å; L24-V60 HydrophobicContact CD2-CG2 4Å
25Q93.6Very high88.5Confident106 Ų10652.9 Ų52.950%0.49530%0.302SS..Hα-helixtrans-63.5-38.8172.6-173.353.971.900111.3D22 S29D22-Q25 HydrophobicContact CB-CB 3.91Å; D22-Q25 VanDerWaalsContact CG-CB 3.44Å; D22-Q25 PolarHBondContact O-N 3.28Å; D22-Q25 PolarHBondContact OD1-N 2.75Å; Q25-S29 WeakPolarHBondContact O-CB 3.4Å; Q25-S29 PolarHBondContact O-N 3.04Å
26Q93Very high88.7Confident26 Ų2653 Ų5312%0.12130%0.296CS..Hα-helixtrans-64-47.2175.1-169.365.86000111.3I7 V21 D22 L24 S29 Y30 M193I7-Q26 HydrophobicContact CG1-CG 4.31Å; V21-Q26 HydrophobicContact CG2-CB 4.1Å; V21-Q26 HydrophobicContact CG2-CG 4.35Å; D22-Q26 WeakPolarHBondContact O-CB 3.48Å; D22-Q26 PolarHBondContact O-N 3.37Å; L24-Q26 VanDerWaalsContact C-N 3.29Å; L24-Q26 PolarHBondContact O-N 2.74Å; Q26-S29 PolarHBondContact NE2-OG 3.03Å; Q26-S29 WeakPolarHBondContact O-CB 3.41Å; Q26-S29 PolarHBondContact O-N 3.3Å; Q26-S29 VanDerWaalsContact O-N 3.14Å; Q26-S29 PolarHBondContact O-OG 3.3Å; Q26-Y30 HydrophobicContact CG-CE1 4.19Å; Q26-Y30 HydrophobicContact CG-CE2 4.1Å; Q26-Y30 PolarHBondContact O-N 3.2Å; Q26-M193 HydrophobicContact CG-SD 4.3Å
27A95.5Very high89.1Confident0 Ų049.5 Ų49.50%028%0.275CS..Hα-helixtrans-59.3-50178.700000112.2I7 I23 L24 S29 Y30 E31 I38 V57 V61I7-A27 HydrophobicContact CD1-CB 3.83Å; I23-A27 VanDerWaalsContact O-CB 3.28Å; I23-A27 WeakPolarHBondContact O-CB 3.5Å; I23-A27 PolarHBondContact O-N 3.23Å; L24-A27 PolarHBondContact O-N 2.81Å; A27-S29 PolarHBondContact O-N 3.27Å; A27-Y30 WeakPolarHBondContact O-CB 3.46Å; A27-Y30 PolarHBondContact O-N 3.09Å; A27-E31 PolarHBondContact O-N 2.89Å; A27-I38 HydrophobicContact CB-CD1 4.06Å; A27-I38 WeakPolarHBondContact O-CD1 3.47Å; A27-V57 HydrophobicContact CB-CB 4.44Å; A27-V57 HydrophobicContact CB-CG1 3.81Å; A27-V57 HydrophobicContact CB-CG2 4Å; A27-V61 HydrophobicContact CB-CG1 3.93Å
28R92.1Very high89.8Confident120 Ų12048.5 Ų48.545%0.45327%0.271SS..Hα-helixtrans-58.8-37.1174.9-70.5177.4-174.3149.62.6112.1L24 Y30 A32 V60L24-R28 WeakPolarHBondContact O-CG 3.44Å; L24-R28 PolarHBondContact O-N 3.25Å; R28-Y30 VanDerWaalsContact C-N 3.34Å; R28-A32 VanDerWaalsContact O-CB 3.25Å; R28-A32 WeakPolarHBondContact O-CB 3.49Å; R28-A32 PolarHBondContact O-N 3.38Å; R28-V60 HydrophobicContact CG-CG2 4.47Å
29S89.7Confident90.5Very high27 Ų2745.7 Ų45.719%0.18926%0.256CS..Hα-helixtrans-68.2-33.117781.60000112.8Q25 Q26 A27 A33Q25-S29 WeakPolarHBondContact O-CB 3.4Å; Q25-S29 PolarHBondContact O-N 3.04Å; Q26-S29 PolarHBondContact NE2-OG 3.03Å; Q26-S29 WeakPolarHBondContact O-CB 3.41Å; Q26-S29 PolarHBondContact O-N 3.3Å; Q26-S29 VanDerWaalsContact O-N 3.14Å; Q26-S29 PolarHBondContact O-OG 3.3Å; A27-S29 PolarHBondContact O-N 3.27Å; S29-A33 WeakPolarHBondContact O-CB 3.43Å; S29-A33 PolarHBondContact O-N 3.43Å; S29-A33 VanDerWaalsContact O-N 3.09Å
30Y90.7Very high91.3Very high0 Ų040.7 Ų40.70%023%0.232CC..Hα-helixtrans-71.5-45.1174.5-72.3-11.1000111.3E6 I7 Q26 A27 R28 A33 G34 V35 I38 L192 M193 P198E6-Y30 PolarHBondContact O-OH 2.91Å; I7-Y30 HydrophobicContact CG1-CD2 4.2Å; I7-Y30 HydrophobicContact CG1-CE2 3.8Å; Q26-Y30 HydrophobicContact CG-CE1 4.19Å; Q26-Y30 HydrophobicContact CG-CE2 4.1Å; Q26-Y30 PolarHBondContact O-N 3.2Å; A27-Y30 WeakPolarHBondContact O-CB 3.46Å; A27-Y30 PolarHBondContact O-N 3.09Å; R28-Y30 VanDerWaalsContact C-N 3.34Å; Y30-A33 CarbonylContact O-C 3.55Å; Y30-A33 WeakPolarHBondContact O-CA 3.2Å; Y30-A33 VanDerWaalsContact O-CB 3.28Å; Y30-A33 WeakPolarHBondContact O-CB 3.21Å; Y30-A33 PolarHBondContact O-N 2.99Å; Y30-A33 VanDerWaalsContact O-N 3.07Å; Y30-G34 PolarHBondContact O-N 2.8Å; Y30-V35 WeakPolarHBondContact O-CG1 3.27Å; Y30-V35 WeakPolarHBondContact O-CG2 3.43Å; Y30-V35 PolarHBondContact O-N 3.38Å; Y30-I38 HydrophobicContact CD2-CG1 4.42Å; Y30-I38 HydrophobicContact CD2-CG2 4.5Å; Y30-L192 HydrophobicContact CE1-CB 3.77Å; Y30-L192 HydrophobicContact CE1-CD1 4.3Å; Y30-L192 HydrophobicContact CE1-CG 4.48Å; Y30-L192 VanDerWaalsContact OH-CB 3.31Å; Y30-L192 WeakPolarHBondContact OH-CB 3.43Å; Y30-M193 PolarHBondContact OH-N 3.19Å; Y30-P198 HydrophobicContact CD1-CB 3.87Å; Y30-P198 HydrophobicContact CE1-CB 3.97Å; Y30-P198 HydrophobicContact CE1-CG 4.33Å
31E88.7Confident91.9Very high52 Ų5233.9 Ų33.924%0.24320%0.196CC..Hα-helixtrans-60.2-48.9175.4176.4169.9-110.100111.7A27 A33 G34 V61 D62 V63A27-E31 PolarHBondContact O-N 2.89Å; E31-A33 PolarHBondContact O-N 3.13Å; E31-A33 VanDerWaalsContact O-N 3.14Å; E31-G34 PolarHBondContact O-N 3.06Å; E31-V61 HydrophobicContact CB-CG1 4.29Å; E31-V61 WeakPolarHBondContact OE1-CA 3.36Å; E31-V61 WeakPolarHBondContact OE1-CB 3.28Å; E31-D62 PolarHBondContact OE1-N 3.4Å; E31-V63 HydrophobicContact CB-CG2 4.34Å; E31-V63 HydrophobicContact CG-CG1 4.15Å; E31-V63 HydrophobicContact CG-CG2 4.48Å; E31-V63 PolarHBondContact OE1-N 2.91Å; E31-V63 VanDerWaalsContact OE1-N 3.15Å
32A83.2Confident92.4Very high88 Ų8833.3 Ų33.373%0.72719%0.192SC*.Hα-helixtrans-62.9-20.717500000113.2R28 G34R28-A32 VanDerWaalsContact O-CB 3.25Å; R28-A32 WeakPolarHBondContact O-CB 3.49Å; R28-A32 PolarHBondContact O-N 3.38Å; A32-G34 VanDerWaalsContact C-N 3.31Å
33A80.4Confident92.6Very high10 Ų1029.6 Ų29.68%0.08317%0.172CC..THydrogen-bonded Turntrans-81.1-6.9172.900000113.7S29 Y30 E31 S199 V202S29-A33 WeakPolarHBondContact O-CB 3.43Å; S29-A33 PolarHBondContact O-N 3.43Å; S29-A33 VanDerWaalsContact O-N 3.09Å; Y30-A33 CarbonylContact O-C 3.55Å; Y30-A33 WeakPolarHBondContact O-CA 3.2Å; Y30-A33 VanDerWaalsContact O-CB 3.28Å; Y30-A33 WeakPolarHBondContact O-CB 3.21Å; Y30-A33 PolarHBondContact O-N 2.99Å; Y30-A33 VanDerWaalsContact O-N 3.07Å; E31-A33 PolarHBondContact O-N 3.13Å; E31-A33 VanDerWaalsContact O-N 3.14Å; A33-S199 VanDerWaalsContact CB-CA 3.45Å; A33-V202 HydrophobicContact CB-CB 3.97Å; A33-V202 HydrophobicContact CB-CG1 4.4Å; A33-V202 HydrophobicContact CB-CG2 3.84Å; A33-V202 VanDerWaalsContact O-CG1 3.26Å; A33-V202 WeakPolarHBondContact O-CG1 3.29Å
34G82.8Confident92.6Very high40 Ų4032.9 Ų32.941%0.41220%0.195SC..THydrogen-bonded Turntrans79.131.1-18000000114.1Y30 E31 A32 Q206Y30-G34 PolarHBondContact O-N 2.8Å; E31-G34 PolarHBondContact O-N 3.06Å; A32-G34 VanDerWaalsContact C-N 3.31Å; G34-Q206 PolarHBondContact O-NE2 2.74Å; G34-Q206 VanDerWaalsContact O-NE2 3.16Å
35V87.1Confident92.5Very high6 Ų635.8 Ų35.84%0.03621%0.214CC..  trans-63.8149.5167.3-58.40000110.2V3 Y30 I38 V202V3-V35 HydrophobicContact CG1-CG1 4.4Å; V3-V35 CarbonylContact O-C 3.59Å; V3-V35 WeakPolarHBondContact O-CA 3.45Å; V3-V35 WeakPolarHBondContact O-CB 3.46Å; Y30-V35 WeakPolarHBondContact O-CG1 3.27Å; Y30-V35 WeakPolarHBondContact O-CG2 3.43Å; Y30-V35 PolarHBondContact O-N 3.38Å; V35-I38 HydrophobicContact CG2-CD1 4.45Å; V35-I38 HydrophobicContact CG2-CG1 3.78Å; V35-V202 HydrophobicContact CG1-CG1 4.41Å; V35-V202 HydrophobicContact CG1-CG2 3.87Å
36S92.2Very high92.5Very high42 Ų4235.8 Ų35.829%0.29421%0.213SC..SBendtrans-86.1-21.2179.8-52.20000113.2H2 V3H2-S36 WeakPolarHBondContact CB-OG 3.46Å; H2-S36 PolarHBondContact ND1-OG 3.45Å; V3-S36 PolarHBondContact O-N 3.04Å
37A96.9Very high92.5Very high5 Ų536 Ų364%0.04121%0.214CC..EExtended strand (participates in β ladder)trans-158.6160172.100000109.3I4 G5 P64 I87I4-A37 WeakPolarHBondContact CA-O 3.4Å; I4-A37 HydrophobicContact CG1-CB 4.2Å; I4-A37 HydrophobicContact CG2-CB 4.16Å; G5-A37 PolarHBondContact N-O 2.72Å; A37-P64 CarbonylContact C-O 3.53Å; A37-P64 VanDerWaalsContact CA-O 3.24Å; A37-P64 WeakPolarHBondContact CA-O 3.27Å; A37-P64 HydrophobicContact CB-CB 4.13Å; A37-P64 WeakPolarHBondContact CB-O 3.05Å; A37-I87 HydrophobicContact CB-CD1 4.35Å
38I98.4Very high92.5Very high0 Ų039.4 Ų39.40%023%0.23CC..EExtended strand (participates in β ladder)trans-111.6126171.9-64.8173.1000108.6G5 I7 A27 Y30 V35 V40 V57 V61 V63 P64 V65 L66G5-I38 CarbonylContact O-C 3.57Å; G5-I38 VanDerWaalsContact O-CA 3.32Å; G5-I38 WeakPolarHBondContact O-CA 3.34Å; I7-I38 HydrophobicContact CD1-CG2 3.8Å; I7-I38 HydrophobicContact CG1-CG2 4.08Å; A27-I38 HydrophobicContact CB-CD1 4.06Å; A27-I38 WeakPolarHBondContact O-CD1 3.47Å; Y30-I38 HydrophobicContact CD2-CG1 4.42Å; Y30-I38 HydrophobicContact CD2-CG2 4.5Å; V35-I38 HydrophobicContact CG2-CD1 4.45Å; V35-I38 HydrophobicContact CG2-CG1 3.78Å; I38-V40 HydrophobicContact CG2-CG2 4.08Å; I38-V57 HydrophobicContact CG2-CG1 4.2Å; I38-V61 HydrophobicContact CD1-CB 4.41Å; I38-V61 HydrophobicContact CD1-CG1 3.95Å; I38-V61 HydrophobicContact CD1-CG2 4.24Å; I38-V63 HydrophobicContact CD1-CG2 3.79Å; I38-V63 HydrophobicContact CG1-CG2 3.88Å; I38-P64 PolarHBondContact N-O 3.1Å; I38-V65 CarbonylContact O-C 3.59Å; I38-V65 VanDerWaalsContact O-CA 3.31Å; I38-V65 WeakPolarHBondContact O-CA 3.27Å; I38-L66 PolarHBondContact O-N 3.17Å
39S98.6Very high92.6Very high0 Ų033.9 Ų33.90%021%0.21CC..EExtended strand (participates in β ladder)trans-96.1127.8173-176.30000109.8G5 E6 I7 L66 K68G5-S39 PolarHBondContact O-N 3.39Å; E6-S39 CarbonylContact C-O 3.46Å; E6-S39 VanDerWaalsContact CA-O 3.29Å; E6-S39 WeakPolarHBondContact CA-O 3.12Å; I7-S39 PolarHBondContact N-O 3.47Å; S39-L66 WeakPolarHBondContact OG-CD2 3.3Å; S39-K68 WeakPolarHBondContact OG-CB 3.42Å
40V98.5Very high93Very high2 Ų237.5 Ų37.51%0.01222%0.224CC..EExtended strand (participates in β ladder)trans-117123.1179-175.50000108.5I7 I38 T42 D53 L54 V57 V65 L66 K68I7-V40 HydrophobicContact CD1-CG2 4.49Å; I38-V40 HydrophobicContact CG2-CG2 4.08Å; V40-T42 HydrophobicContact CG1-CG2 4.42Å; V40-D53 HydrophobicContact CG1-CB 4.15Å; V40-L54 HydrophobicContact CB-CB 4.27Å; V40-L54 HydrophobicContact CB-CD1 4.35Å; V40-L54 HydrophobicContact CB-CG 4.4Å; V40-L54 HydrophobicContact CG1-CB 4.1Å; V40-V57 HydrophobicContact CG2-CB 4.23Å; V40-V57 HydrophobicContact CG2-CG1 4.04Å; V40-V57 HydrophobicContact CG2-CG2 4.29Å; V40-V65 HydrophobicContact CG2-CG1 3.89Å; V40-L66 PolarHBondContact N-O 2.89Å; V40-K68 WeakPolarHBondContact O-CB 3.43Å; V40-K68 PolarHBondContact O-N 2.83Å
41L97.8Very high93.3Very high7 Ų738.4 Ų38.44%0.03723%0.229CC..EExtended strand (participates in β ladder)trans-74.7126.6172.2-79.8-67.7000108.9E6 I7 K8 F47 G49 K68E6-L41 VanDerWaalsContact CD-CD2 3.44Å; E6-L41 HydrophobicContact CG-CD2 3.32Å; E6-L41 WeakPolarHBondContact OE1-CD2 3.42Å; I7-L41 PolarHBondContact O-N 3.43Å; K8-L41 HydrophobicContact CB-CD2 4.07Å; K8-L41 HydrophobicContact CB-CG 4.4Å; K8-L41 HydrophobicContact CD-CD2 4.34Å; K8-L41 HydrophobicContact CD-CG 4.37Å; K8-L41 HydrophobicContact CG-CD2 4.32Å; K8-L41 HydrophobicContact CG-CG 4.22Å; L41-F47 HydrophobicContact CB-CB 3.88Å; L41-F47 HydrophobicContact CB-CG 4.27Å; L41-F47 HydrophobicContact CD1-CB 4.2Å; L41-F47 HydrophobicContact CD1-CD1 3.64Å; L41-F47 HydrophobicContact CD1-CD2 3.89Å; L41-F47 HydrophobicContact CD1-CE1 3.91Å; L41-F47 HydrophobicContact CD1-CE2 4.11Å; L41-F47 HydrophobicContact CD1-CG 3.64Å; L41-F47 HydrophobicContact CD1-CZ 4.14Å; L41-F47 HydrophobicContact CG-CB 4.04Å; L41-F47 HydrophobicContact CG-CD1 3.83Å; L41-F47 HydrophobicContact CG-CE1 4.47Å; L41-F47 HydrophobicContact CG-CG 3.93Å; L41-G49 VanDerWaalsContact O-CA 3.23Å; L41-G49 WeakPolarHBondContact O-CA 3.45Å; L41-K68 WeakPolarHBondContact CA-O 3.34Å; L41-K68 HydrophobicContact CD1-CB 4.02Å; L41-K68 HydrophobicContact CD1-CD 3.92Å; L41-K68 HydrophobicContact CD1-CG 4.1Å; L41-K68 HydrophobicContact CD2-CB 4.18Å; L41-K68 HydrophobicContact CD2-CD 3.87Å
42T98Very high93.8Very high2 Ų241.2 Ų41.21%0.01225%0.246CC..  trans-116.7-2.2-176.654.90000114.1V40 P44 G49 I51 L54 K68 D69V40-T42 HydrophobicContact CG1-CG2 4.42Å; T42-P44 WeakPolarHBondContact O-CD 3.31Å; T42-G49 CarbonylContact O-C 3.57Å; T42-I51 HydrophobicContact CG2-CD1 4.09Å; T42-L54 HydrophobicContact CG2-CB 3.82Å; T42-L54 HydrophobicContact CG2-CD1 3.9Å; T42-K68 PolarHBondContact N-O 3.43Å; T42-D69 VanDerWaalsContact OG1-CB 3.31Å; T42-D69 WeakPolarHBondContact OG1-CB 3.42Å; T42-D69 VanDerWaalsContact OG1-CG 3.28Å; T42-D69 PolarHBondContact OG1-OD2 2.83Å
43D96.5Very high94.5Very high20 Ų2037.8 Ų37.811%0.10722%0.215CC..  trans-78.7121.2175.8173.1-92.7000111V45 F46 F47 M48 G49 F70D43-V45 PolarHBondContact OD1-N 3.22Å; D43-F46 WeakPolarHBondContact OD1-CA 3.27Å; D43-F46 VanDerWaalsContact OD1-CB 3.27Å; D43-F46 WeakPolarHBondContact OD1-CB 3.41Å; D43-F46 WeakPolarHBondContact OD1-CD2 3.43Å; D43-F46 PolarHBondContact OD1-N 3.05Å; D43-F47 HydrophobicContact CB-CD2 4.09Å; D43-F47 PolarHBondContact O-N 2.91Å; D43-M48 PolarHBondContact O-N 3.44Å; D43-G49 CarbonylContact C-O 3.54Å; D43-G49 PolarHBondContact O-N 3.26Å; D43-F70 HydrophobicContact CB-CD2 4.46Å
44P95.2Very high95.3Very high87 Ų8737.3 Ų37.357%0.56521%0.211SC*.Hα-helixtrans-77.7-28-175.728.8-33.5000113T42 M48 G49T42-P44 WeakPolarHBondContact O-CD 3.31Å; P44-M48 PolarHBondContact O-N 2.72Å; P44-G49 WeakPolarHBondContact CA-O 3.32Å
45V93.8Very high96.1Very high111 Ų11136.5 Ų36.567%0.67320%0.201SC*.Hα-helixtrans-77.4-46.5-169.5178.60000111.7D43D43-V45 PolarHBondContact OD1-N 3.22Å
46F92.5Very high96.6Very high107 Ų10737.7 Ų37.747%0.46921%0.211SC..Hα-helixtrans-101-23.4-171.8-61.8-67.4000113.2P12 D43 F70P12-F46 WeakPolarHBondContact CD-O 3.43Å; P12-F46 HydrophobicContact CG-CB 3.92Å; P12-F46 HydrophobicContact CG-CD1 4.25Å; P12-F46 HydrophobicContact CG-CG 4.44Å; D43-F46 WeakPolarHBondContact OD1-CA 3.27Å; D43-F46 VanDerWaalsContact OD1-CB 3.27Å; D43-F46 WeakPolarHBondContact OD1-CB 3.41Å; D43-F46 WeakPolarHBondContact OD1-CD2 3.43Å; D43-F46 PolarHBondContact OD1-N 3.05Å; F46-F70 HydrophobicContact CD2-CD2 4.38Å; F46-F70 AromaticContact CD2-CE2 3.8Å; F46-F70 HydrophobicContact CD2-CE2 3.8Å; F46-F70 HydrophobicContact CE2-CE2 4.44Å; F46-F70 HydrophobicContact CG-CE2 4.48Å
47F94.2Very high96.9Very high31 Ų3135.8 Ų35.814%0.13620%0.198CC..Hα-helixtrans-125.2-3.7-172.5-62.3-86.2000114.8K8 A10 L41 D43 G49 F70K8-F47 HydrophobicContact CD-CD1 3.97Å; K8-F47 HydrophobicContact CD-CE1 4.24Å; K8-F47 HydrophobicContact CG-CD1 4.24Å; A10-F47 PolarHBondContact N-O 3.2Å; A10-F47 VanDerWaalsContact O-CD1 3.27Å; A10-F47 WeakPolarHBondContact O-CD1 3.39Å; L41-F47 HydrophobicContact CB-CB 3.88Å; L41-F47 HydrophobicContact CB-CG 4.27Å; L41-F47 HydrophobicContact CD1-CB 4.2Å; L41-F47 HydrophobicContact CD1-CD1 3.64Å; L41-F47 HydrophobicContact CD1-CD2 3.89Å; L41-F47 HydrophobicContact CD1-CE1 3.91Å; L41-F47 HydrophobicContact CD1-CE2 4.11Å; L41-F47 HydrophobicContact CD1-CG 3.64Å; L41-F47 HydrophobicContact CD1-CZ 4.14Å; L41-F47 HydrophobicContact CG-CB 4.04Å; L41-F47 HydrophobicContact CG-CD1 3.83Å; L41-F47 HydrophobicContact CG-CE1 4.47Å; L41-F47 HydrophobicContact CG-CG 3.93Å; D43-F47 HydrophobicContact CB-CD2 4.09Å; D43-F47 PolarHBondContact O-N 2.91Å; F47-G49 PolarHBondContact O-N 3.39Å; F47-F70 HydrophobicContact CD2-CE2 4.45Å; F47-F70 AromaticContact CE2-CE2 3.73Å; F47-F70 HydrophobicContact CE2-CE2 3.73Å; F47-F70 AromaticContact CE2-CZ 3.88Å; F47-F70 HydrophobicContact CE2-CZ 3.88Å; F47-F70 HydrophobicContact CZ-CZ 4.48Å
48M94.5Very high97Very high71 Ų7136.8 Ų36.835%0.3521%0.206SC..  trans53.137.5-172-56.4172.669.800111.7R9 A10 V16 E19 D43 P44R9-M48 HydrophobicContact CB-CB 4.22Å; R9-M48 PolarHBondContact NH1-O 3.11Å; A10-M48 HydrophobicContact CB-CB 4.34Å; A10-M48 HydrophobicContact CB-CG 3.92Å; A10-M48 HydrophobicContact CB-SD 3.73Å; V16-M48 HydrophobicContact CG2-SD 4.06Å; E19-M48 HydrophobicContact CG-CE 4.13Å; D43-M48 PolarHBondContact O-N 3.44Å; P44-M48 PolarHBondContact O-N 2.72Å
49G95.6Very high97Very high3 Ų344.7 Ų44.73%0.03124%0.243CC..  trans-96.8156.2177.600000112.1L41 T42 D43 P44 F47L41-G49 VanDerWaalsContact O-CA 3.23Å; L41-G49 WeakPolarHBondContact O-CA 3.45Å; T42-G49 CarbonylContact O-C 3.57Å; D43-G49 CarbonylContact C-O 3.54Å; D43-G49 PolarHBondContact O-N 3.26Å; P44-G49 WeakPolarHBondContact CA-O 3.32Å; F47-G49 PolarHBondContact O-N 3.39Å
50E96.4Very high96.9Very high104 Ų10446.6 Ų46.649%0.48626%0.255SS..  trans-133.8145.3175.3-57.7-174.8-177.900111N52 D53E50-N52 PolarHBondContact O-N 2.9Å; E50-N52 VanDerWaalsContact O-N 3.17Å; E50-D53 PolarHBondContact N-OD2 2.92Å; E50-D53 VanDerWaalsContact O-CB 3.26Å; E50-D53 WeakPolarHBondContact O-CB 3.26Å; E50-D53 PolarHBondContact O-N 2.79Å
51I98.2Very high96.8Very high19 Ų1947 Ų4710%0.09726%0.257CS..Hα-helixtrans-59.8-28.8173.8-163.565.8000112.3T42 D53 L54 A55 R79 A83T42-I51 HydrophobicContact CG2-CD1 4.09Å; I51-D53 VanDerWaalsContact C-N 3.27Å; I51-D53 PolarHBondContact O-N 3.07Å; I51-L54 WeakPolarHBondContact O-CB 3.44Å; I51-L54 PolarHBondContact O-N 2.76Å; I51-A55 PolarHBondContact O-N 3.35Å; I51-R79 HydrophobicContact CD1-CG 4.11Å; I51-R79 HydrophobicContact CG1-CG 3.84Å; I51-A83 HydrophobicContact CD1-CB 3.9Å; I51-A83 HydrophobicContact CG1-CB 3.75Å
52N98Very high96.8Very high110 Ų11054.4 Ų54.459%0.58830%0.297SS*.Hα-helixtrans-71.1-26.6178.9-68.7-19.6000111.5E50 L54 A55 A56E50-N52 PolarHBondContact O-N 2.9Å; E50-N52 VanDerWaalsContact O-N 3.17Å; N52-L54 VanDerWaalsContact C-N 3.33Å; N52-A55 PolarHBondContact O-N 2.87Å; N52-A56 WeakPolarHBondContact O-CB 3.39Å; N52-A56 PolarHBondContact O-N 3.04Å
53D97.9Very high96.6Very high16 Ų1655.8 Ų55.89%0.08631%0.305CS..Hα-helixtrans-62.7-45.2170.7-61.2-41000110.1R9 I23 V40 E50 I51 A55 A56 V57R9-D53 IonicContact CZ-OD1 2.69Å; R9-D53 IonicContact CZ-OD2 3.74Å; R9-D53 IonicContact NH1-OD1 3.57Å; R9-D53 IonicContact NH1-OD2 2.65Å; R9-D53 PolarHBondContact NH1-OD2 3.05Å; R9-D53 IonicContact NH2-OD1 3.06Å; R9-D53 PolarHBondContact NH2-OD1 3.39Å; R9-D53 IonicContact NH2-OD2 2.93Å; R9-D53 PolarHBondContact NH2-OD2 2.99Å; I23-D53 HydrophobicContact CD1-CB 3.5Å; I23-D53 WeakPolarHBondContact CD1-OD1 3.47Å; V40-D53 HydrophobicContact CG1-CB 4.15Å; E50-D53 PolarHBondContact N-OD2 2.92Å; E50-D53 VanDerWaalsContact O-CB 3.26Å; E50-D53 WeakPolarHBondContact O-CB 3.26Å; E50-D53 PolarHBondContact O-N 2.79Å; I51-D53 VanDerWaalsContact C-N 3.27Å; I51-D53 PolarHBondContact O-N 3.07Å; D53-A55 VanDerWaalsContact C-N 3.34Å; D53-A55 PolarHBondContact O-N 2.85Å; D53-A56 PolarHBondContact O-N 2.69Å; D53-V57 WeakPolarHBondContact O-CB 3.45Å; D53-V57 VanDerWaalsContact O-CG2 3.26Å; D53-V57 WeakPolarHBondContact O-CG2 3.15Å; D53-V57 PolarHBondContact O-N 3.06Å
54L98.6Very high96.7Very high0 Ų057.5 Ų57.50%032%0.318CS..Hα-helixtrans-61-45.6176.1-172.3151.5000110.8V40 T42 I51 N52 A56 V57 A58 V65 C67 A83 A85V40-L54 HydrophobicContact CB-CB 4.27Å; V40-L54 HydrophobicContact CB-CD1 4.35Å; V40-L54 HydrophobicContact CB-CG 4.4Å; V40-L54 HydrophobicContact CG1-CB 4.1Å; T42-L54 HydrophobicContact CG2-CB 3.82Å; T42-L54 HydrophobicContact CG2-CD1 3.9Å; I51-L54 WeakPolarHBondContact O-CB 3.44Å; I51-L54 PolarHBondContact O-N 2.76Å; N52-L54 VanDerWaalsContact C-N 3.33Å; L54-A56 VanDerWaalsContact C-N 3.33Å; L54-A56 PolarHBondContact O-N 2.93Å; L54-V57 PolarHBondContact O-N 2.94Å; L54-A58 WeakPolarHBondContact O-CB 3.24Å; L54-A58 PolarHBondContact O-N 3.01Å; L54-V65 HydrophobicContact CD1-CG1 4.29Å; L54-V65 HydrophobicContact CD2-CG1 4.47Å; L54-V65 HydrophobicContact CG-CG1 3.94Å; L54-C67 HydrophobicContact CD1-CB 3.43Å; L54-C67 VanDerWaalsContact CD1-CB 3.43Å; L54-A83 HydrophobicContact CD2-CB 3.58Å; L54-A83 VanDerWaalsContact CD2-O 3.26Å; L54-A83 WeakPolarHBondContact CD2-O 3.42Å; L54-A85 HydrophobicContact CD1-CB 4.1Å; L54-A85 HydrophobicContact CD2-CB 3.93Å
55A98.6Very high96.9Very high24 Ų2453.6 Ų53.620%0.19829%0.292CS..Hα-helixtrans-60-41.8177.400000113I51 N52 D53 Q59 A83I51-A55 PolarHBondContact O-N 3.35Å; N52-A55 PolarHBondContact O-N 2.87Å; D53-A55 VanDerWaalsContact C-N 3.34Å; D53-A55 PolarHBondContact O-N 2.85Å; A55-Q59 VanDerWaalsContact O-CG 3.32Å; A55-Q59 WeakPolarHBondContact O-CG 3.23Å; A55-Q59 PolarHBondContact O-N 2.88Å; A55-A83 WeakPolarHBondContact CA-O 3.27Å; A55-A83 HydrophobicContact CB-CB 4.09Å
56A98.5Very high97.1Very high31 Ų3148.4 Ų48.426%0.25626%0.26SS..Hα-helixtrans-71.2-38.9178.400000111.9L24 N52 D53 L54 Q59L24-A56 HydrophobicContact CD2-CB 3.73Å; N52-A56 WeakPolarHBondContact O-CB 3.39Å; N52-A56 PolarHBondContact O-N 3.04Å; D53-A56 PolarHBondContact O-N 2.69Å; L54-A56 VanDerWaalsContact C-N 3.33Å; L54-A56 PolarHBondContact O-N 2.93Å; A56-Q59 PolarHBondContact O-N 3.14Å
57V98.5Very high97.4Very high1 Ų143.4 Ų43.41%0.00624%0.239CC..Hα-helixtrans-63.6-48.3175.2167.30000111I7 I23 L24 A27 I38 V40 D53 L54 Q59 V60 V61 V65I7-V57 HydrophobicContact CD1-CG2 4.02Å; I23-V57 HydrophobicContact CD1-CG2 4.47Å; L24-V57 HydrophobicContact CD2-CG2 4.27Å; A27-V57 HydrophobicContact CB-CB 4.44Å; A27-V57 HydrophobicContact CB-CG1 3.81Å; A27-V57 HydrophobicContact CB-CG2 4Å; I38-V57 HydrophobicContact CG2-CG1 4.2Å; V40-V57 HydrophobicContact CG2-CB 4.23Å; V40-V57 HydrophobicContact CG2-CG1 4.04Å; V40-V57 HydrophobicContact CG2-CG2 4.29Å; D53-V57 WeakPolarHBondContact O-CB 3.45Å; D53-V57 VanDerWaalsContact O-CG2 3.26Å; D53-V57 WeakPolarHBondContact O-CG2 3.15Å; D53-V57 PolarHBondContact O-N 3.06Å; L54-V57 PolarHBondContact O-N 2.94Å; V57-Q59 PolarHBondContact O-N 2.62Å; V57-Q59 VanDerWaalsContact O-N 3.09Å; V57-V60 WeakPolarHBondContact O-CG2 3.27Å; V57-V60 PolarHBondContact O-N 3.14Å; V57-V61 HydrophobicContact CG1-CG2 4.24Å; V57-V61 WeakPolarHBondContact O-CG2 3.33Å; V57-V61 PolarHBondContact O-N 3.05Å; V57-V65 HydrophobicContact CG1-CG1 4.42Å; V57-V65 HydrophobicContact CG1-CG2 4.31Å
58A98.5Very high97.6Very high27 Ų2743 Ų4322%0.22324%0.237CC..Hα-helixtrans-63.1-16.4-179.300000114L54 V65L54-A58 WeakPolarHBondContact O-CB 3.24Å; L54-A58 PolarHBondContact O-N 3.01Å; A58-V65 HydrophobicContact CB-CG2 4.17Å
59Q98.1Very high97.8Very high165 Ų16540.7 Ų40.777%0.77123%0.226SC*.THydrogen-bonded Turntrans-86.3-15.6174.9-74.1176.18.800114A55 A56 V57A55-Q59 VanDerWaalsContact O-CG 3.32Å; A55-Q59 WeakPolarHBondContact O-CG 3.23Å; A55-Q59 PolarHBondContact O-N 2.88Å; A56-Q59 PolarHBondContact O-N 3.14Å; V57-Q59 PolarHBondContact O-N 2.62Å; V57-Q59 VanDerWaalsContact O-N 3.09Å
60V97.6Very high97.9Very high40 Ų4044.1 Ų44.124%0.24224%0.24CC..THydrogen-bonded Turntrans-118.51.1-171.6-57.10000114.1L24 R28 V57L24-V60 HydrophobicContact CB-CG2 4.49Å; L24-V60 HydrophobicContact CD2-CG2 4Å; R28-V60 HydrophobicContact CG-CG2 4.47Å; V57-V60 WeakPolarHBondContact O-CG2 3.27Å; V57-V60 PolarHBondContact O-N 3.14Å
61V96.6Very high98Very high11 Ų1139.5 Ų39.57%0.06722%0.219CC..  trans-132.9149.9175.8-54.30000109.8A27 E31 I38 V57 V63 V65A27-V61 HydrophobicContact CB-CG1 3.93Å; E31-V61 HydrophobicContact CB-CG1 4.29Å; E31-V61 WeakPolarHBondContact OE1-CA 3.36Å; E31-V61 WeakPolarHBondContact OE1-CB 3.28Å; I38-V61 HydrophobicContact CD1-CB 4.41Å; I38-V61 HydrophobicContact CD1-CG1 3.95Å; I38-V61 HydrophobicContact CD1-CG2 4.24Å; V57-V61 HydrophobicContact CG1-CG2 4.24Å; V57-V61 WeakPolarHBondContact O-CG2 3.33Å; V57-V61 PolarHBondContact O-N 3.05Å; V61-V63 HydrophobicContact CB-CG2 4.12Å; V61-V63 HydrophobicContact CG2-CG2 4.04Å; V61-V65 HydrophobicContact CG2-CG2 3.94Å
62D96.3Very high98Very high163 Ų16343.4 Ų43.487%0.87224%0.239SC*.  trans-94.3-21.9175.1-65.8-45.5000112E31E31-D62 PolarHBondContact OE1-N 3.4Å
63V95.3Very high98Very high30 Ų3039.8 Ų39.818%0.18222%0.22CC..SBendtrans-65.8148.8176.8-650000112.4E31 I38 V61E31-V63 HydrophobicContact CB-CG2 4.34Å; E31-V63 HydrophobicContact CG-CG1 4.15Å; E31-V63 HydrophobicContact CG-CG2 4.48Å; E31-V63 PolarHBondContact OE1-N 2.91Å; E31-V63 VanDerWaalsContact OE1-N 3.15Å; I38-V63 HydrophobicContact CD1-CG2 3.79Å; I38-V63 HydrophobicContact CG1-CG2 3.88Å; V61-V63 HydrophobicContact CB-CG2 4.12Å; V61-V63 HydrophobicContact CG2-CG2 4.04Å
64P98.5Very high98Very high57 Ų5744 Ų4437%0.3724%0.237SC..  trans-51.7140.6175.9-29.536000113.9A37 I38 S86 I87A37-P64 CarbonylContact C-O 3.53Å; A37-P64 VanDerWaalsContact CA-O 3.24Å; A37-P64 WeakPolarHBondContact CA-O 3.27Å; A37-P64 HydrophobicContact CB-CB 4.13Å; A37-P64 WeakPolarHBondContact CB-O 3.05Å; I38-P64 PolarHBondContact N-O 3.1Å; P64-S86 WeakPolarHBondContact CA-OG 3.28Å; P64-S86 WeakPolarHBondContact CB-OG 3.46Å; P64-I87 HydrophobicContact CB-CD1 4.04Å; P64-I87 HydrophobicContact CB-CG1 4.42Å
65V98.8Very high98Very high5 Ų552.3 Ų52.33%0.0327%0.269CS..EExtended strand (participates in β ladder)trans-114.6121.2179.3-172.90000110.6I38 V40 L54 V57 A58 V61 A85 S86 I87I38-V65 CarbonylContact O-C 3.59Å; I38-V65 VanDerWaalsContact O-CA 3.31Å; I38-V65 WeakPolarHBondContact O-CA 3.27Å; V40-V65 HydrophobicContact CG2-CG1 3.89Å; L54-V65 HydrophobicContact CD1-CG1 4.29Å; L54-V65 HydrophobicContact CD2-CG1 4.47Å; L54-V65 HydrophobicContact CG-CG1 3.94Å; V57-V65 HydrophobicContact CG1-CG1 4.42Å; V57-V65 HydrophobicContact CG1-CG2 4.31Å; A58-V65 HydrophobicContact CB-CG2 4.17Å; V61-V65 HydrophobicContact CG2-CG2 3.94Å; V65-A85 WeakPolarHBondContact O-CA 3.5Å; V65-S86 PolarHBondContact N-OG 3.46Å; V65-S86 PolarHBondContact O-N 2.9Å; V65-I87 PolarHBondContact O-N 3.3Å
66L98.8Very high98Very high1 Ų153.4 Ų53.41%0.00527%0.269CS..EExtended strand (participates in β ladder)trans-90.3119.5175.2165.962.4000110.6I38 S39 V40 K68 I87 L89 L115 L187I38-L66 PolarHBondContact O-N 3.17Å; S39-L66 WeakPolarHBondContact OG-CD2 3.3Å; V40-L66 PolarHBondContact N-O 2.89Å; L66-K68 PolarHBondContact O-N 2.76Å; L66-I87 WeakPolarHBondContact CA-O 3.44Å; L66-I87 HydrophobicContact CB-CB 4.03Å; L66-I87 HydrophobicContact CD1-CB 3.95Å; L66-I87 HydrophobicContact CD1-CG2 3.79Å; L66-L89 HydrophobicContact CD1-CB 4.4Å; L66-L115 HydrophobicContact CD2-CD2 3.7Å; L66-L187 HydrophobicContact CD2-CD1 4.03Å
67C98.8Very high98Very high3 Ų351.9 Ų51.92%0.0226%0.257CS..EExtended strand (participates in β ladder)trans-74.9101.2165.5-173.70000110L54 D69 A80 A85 I87 V88 L89L54-C67 HydrophobicContact CD1-CB 3.43Å; L54-C67 VanDerWaalsContact CD1-CB 3.43Å; C67-D69 PolarHBondContact O-N 2.95Å; C67-A80 HydrophobicContact CB-CB 3.81Å; C67-A85 HydrophobicContact CB-CB 3.81Å; C67-I87 PolarHBondContact N-O 3.33Å; C67-V88 HydrophobicContact CB-CG1 4.28Å; C67-L89 PolarHBondContact O-N 2.82Å
68K98.5Very high98Very high21 Ų2154.6 Ų54.69%0.09127%0.271CS..EExtended strand (participates in β ladder)trans-93.595.7178.4-150.6-175.3-157.8-58.60109.5E6 S39 V40 L41 T42 L66 L89 E117 E167E6-K68 WeakPolarHBondContact OE1-CD 3.23Å; E6-K68 VanDerWaalsContact OE1-CE 3.27Å; E6-K68 WeakPolarHBondContact OE1-CE 3.34Å; S39-K68 WeakPolarHBondContact OG-CB 3.42Å; V40-K68 WeakPolarHBondContact O-CB 3.43Å; V40-K68 PolarHBondContact O-N 2.83Å; L41-K68 WeakPolarHBondContact CA-O 3.34Å; L41-K68 HydrophobicContact CD1-CB 4.02Å; L41-K68 HydrophobicContact CD1-CD 3.92Å; L41-K68 HydrophobicContact CD1-CG 4.1Å; L41-K68 HydrophobicContact CD2-CB 4.18Å; L41-K68 HydrophobicContact CD2-CD 3.87Å; T42-K68 PolarHBondContact N-O 3.43Å; L66-K68 PolarHBondContact O-N 2.76Å; K68-L89 HydrophobicContact CG-CD2 3.74Å; K68-E117 IonicContact NZ-OE2 3.44Å; K68-E117 PolarHBondContact NZ-OE2 3.29Å; K68-E117 VanDerWaalsContact NZ-OE2 3.07Å; K68-E167 IonicContact NZ-OE2 2.82Å
69D97.9Very high98Very high24 Ų2459.4 Ų59.413%0.12828%0.284CS..SBendtrans-143166.4-177.9-148.5-44.4000110.3T42 C67 I71T42-D69 VanDerWaalsContact OG1-CB 3.31Å; T42-D69 WeakPolarHBondContact OG1-CB 3.42Å; T42-D69 VanDerWaalsContact OG1-CG 3.28Å; T42-D69 PolarHBondContact OG1-OD2 2.83Å; C67-D69 PolarHBondContact O-N 2.95Å; D69-I71 VanDerWaalsContact C-N 3.34Å; D69-I71 HydrophobicContact CB-CG1 4.24Å; D69-I71 PolarHBondContact O-N 3.42Å; D69-I71 VanDerWaalsContact O-N 3.11Å
70F97.4Very high98Very high75 Ų7551.6 Ų51.633%0.32925%0.247SC..  trans-82.478.4170.4-60.5-73000110D43 F46 F47 I72 Q76 I91D43-F70 HydrophobicContact CB-CD2 4.46Å; F46-F70 HydrophobicContact CD2-CD2 4.38Å; F46-F70 AromaticContact CD2-CE2 3.8Å; F46-F70 HydrophobicContact CD2-CE2 3.8Å; F46-F70 HydrophobicContact CE2-CE2 4.44Å; F46-F70 HydrophobicContact CG-CE2 4.48Å; F47-F70 HydrophobicContact CD2-CE2 4.45Å; F47-F70 AromaticContact CE2-CE2 3.73Å; F47-F70 HydrophobicContact CE2-CE2 3.73Å; F47-F70 AromaticContact CE2-CZ 3.88Å; F47-F70 HydrophobicContact CE2-CZ 3.88Å; F47-F70 HydrophobicContact CZ-CZ 4.48Å; F70-I72 PolarHBondContact O-N 2.92Å; F70-Q76 PolarHBondContact O-NE2 2.96Å; F70-I91 HydrophobicContact CD1-CD1 3.68Å; F70-I91 HydrophobicContact CE1-CD1 3.78Å
71I98.5Very high98.1Very high6 Ų654.9 Ų54.93%0.03126%0.258CS..  trans-75.4112.2-178.6-61.2179.9000110.8D69 Q76 L77 V88 L90 L103D69-I71 VanDerWaalsContact C-N 3.34Å; D69-I71 HydrophobicContact CB-CG1 4.24Å; D69-I71 PolarHBondContact O-N 3.42Å; D69-I71 VanDerWaalsContact O-N 3.11Å; I71-Q76 HydrophobicContact CG1-CB 4.22Å; I71-Q76 HydrophobicContact CG2-CB 4.15Å; I71-L77 HydrophobicContact CD1-CD2 4.12Å; I71-L77 HydrophobicContact CG2-CD2 3.87Å; I71-L77 HydrophobicContact CG2-CG 4.28Å; I71-V88 HydrophobicContact CD1-CB 3.71Å; I71-V88 HydrophobicContact CD1-CG1 3.98Å; I71-L90 HydrophobicContact CB-CD2 4.01Å; I71-L90 HydrophobicContact CG2-CD2 3.83Å; I71-L103 HydrophobicContact CG2-CD1 4.49Å
72I98.2Very high98.2Very high101 Ų10162.2 Ų62.252%0.51829%0.292SS..  trans-121-12.617760.8170.6000112.5F70 L95 R99F70-I72 PolarHBondContact O-N 2.92Å; I72-L95 HydrophobicContact CB-CD2 4.46Å; I72-L95 HydrophobicContact CG2-CD2 4.09Å; I72-R99 PolarHBondContact O-NE 3.19Å; I72-R99 PolarHBondContact O-NH2 3.48Å
73D98.3Very high98.3Very high35 Ų3555.1 Ų55.119%0.18726%0.256CS..SBendtrans-130.3141.9-177.6-160.7-71.5000113.6R75 Q76D73-R75 VanDerWaalsContact CG-NE 3.27Å; D73-R75 VanDerWaalsContact CG-NH2 3.35Å; D73-R75 PolarHBondContact O-N 3.07Å; D73-R75 VanDerWaalsContact O-N 3.16Å; D73-R75 WeakPolarHBondContact OD1-CB 3.29Å; D73-R75 VanDerWaalsContact OD1-CG 3.3Å; D73-R75 WeakPolarHBondContact OD1-CG 3.41Å; D73-R75 IonicContact OD1-CZ 3.05Å; D73-R75 PolarHBondContact OD1-N 2.86Å; D73-R75 IonicContact OD1-NE 3.78Å; D73-R75 PolarHBondContact OD1-NE 3.46Å; D73-R75 IonicContact OD1-NH2 2.91Å; D73-R75 IonicContact OD2-CZ 2.66Å; D73-R75 IonicContact OD2-NE 3.47Å; D73-R75 PolarHBondContact OD2-NE 2.99Å; D73-R75 IonicContact OD2-NH2 3.43Å; D73-R75 PolarHBondContact OD2-NH2 3.37Å; D73-Q76 WeakPolarHBondContact O-CB 3.42Å; D73-Q76 PolarHBondContact O-N 2.94Å
74K98.1Very high98.4Very high105 Ų10555.5 Ų55.546%0.45727%0.266SS..Hα-helixtrans-57.6-28.3176.165.9-178.6-179.7-177.30113.1Q76 L77 D78 L103K74-Q76 PolarHBondContact O-N 3.27Å; K74-L77 VanDerWaalsContact O-CB 3.28Å; K74-L77 WeakPolarHBondContact O-CB 3.41Å; K74-L77 PolarHBondContact O-N 3.32Å; K74-D78 PolarHBondContact O-N 2.65Å; K74-L103 HydrophobicContact CB-CD2 4.48Å
75R98.4Very high98.4Very high174 Ų17453.1 Ų53.166%0.65725%0.251SS*.Hα-helixtrans-60.1-31.9174.2-69171.6-71.3170.40.6112.1D73 L77 D78 R79D73-R75 VanDerWaalsContact CG-NE 3.27Å; D73-R75 VanDerWaalsContact CG-NH2 3.35Å; D73-R75 PolarHBondContact O-N 3.07Å; D73-R75 VanDerWaalsContact O-N 3.16Å; D73-R75 WeakPolarHBondContact OD1-CB 3.29Å; D73-R75 VanDerWaalsContact OD1-CG 3.3Å; D73-R75 WeakPolarHBondContact OD1-CG 3.41Å; D73-R75 IonicContact OD1-CZ 3.05Å; D73-R75 PolarHBondContact OD1-N 2.86Å; D73-R75 IonicContact OD1-NE 3.78Å; D73-R75 PolarHBondContact OD1-NE 3.46Å; D73-R75 IonicContact OD1-NH2 2.91Å; D73-R75 IonicContact OD2-CZ 2.66Å; D73-R75 IonicContact OD2-NE 3.47Å; D73-R75 PolarHBondContact OD2-NE 2.99Å; D73-R75 IonicContact OD2-NH2 3.43Å; D73-R75 PolarHBondContact OD2-NH2 3.37Å; R75-L77 VanDerWaalsContact C-N 3.35Å; R75-D78 PolarHBondContact O-N 3.13Å; R75-R79 WeakPolarHBondContact O-CB 3.32Å; R75-R79 PolarHBondContact O-N 3.48Å
76Q98.6Very high98.4Very high46 Ų4655 Ų5522%0.21527%0.265CS..Hα-helixtrans-71-31.4175.3-65.4169.3-87.400111.5F70 I71 D73 K74 R79 A80F70-Q76 PolarHBondContact O-NE2 2.96Å; I71-Q76 HydrophobicContact CG1-CB 4.22Å; I71-Q76 HydrophobicContact CG2-CB 4.15Å; D73-Q76 WeakPolarHBondContact O-CB 3.42Å; D73-Q76 PolarHBondContact O-N 2.94Å; K74-Q76 PolarHBondContact O-N 3.27Å; Q76-R79 PolarHBondContact O-N 3.49Å; Q76-A80 VanDerWaalsContact O-CB 3.32Å; Q76-A80 WeakPolarHBondContact O-CB 3.47Å; Q76-A80 PolarHBondContact O-N 3.08Å
77L98.8Very high98.4Very high0 Ų055.6 Ų55.60%027%0.268CS..Hα-helixtrans-65.3-45.3173.2-56.8174.7000111.3I71 K74 R75 R79 A80 K81 V88 L103 E106 A107 L112I71-L77 HydrophobicContact CD1-CD2 4.12Å; I71-L77 HydrophobicContact CG2-CD2 3.87Å; I71-L77 HydrophobicContact CG2-CG 4.28Å; K74-L77 VanDerWaalsContact O-CB 3.28Å; K74-L77 WeakPolarHBondContact O-CB 3.41Å; K74-L77 PolarHBondContact O-N 3.32Å; R75-L77 VanDerWaalsContact C-N 3.35Å; L77-R79 VanDerWaalsContact C-N 3.34Å; L77-A80 PolarHBondContact O-N 2.77Å; L77-K81 WeakPolarHBondContact O-CB 3.31Å; L77-K81 PolarHBondContact O-N 2.87Å; L77-V88 HydrophobicContact CD2-CB 4.37Å; L77-V88 HydrophobicContact CD2-CG1 4.34Å; L77-V88 HydrophobicContact CD2-CG2 3.92Å; L77-L103 HydrophobicContact CD1-CD2 4.12Å; L77-E106 HydrophobicContact CD1-CB 3.93Å; L77-A107 HydrophobicContact CD1-CB 4.07Å; L77-A107 HydrophobicContact CD2-CB 3.95Å; L77-L112 HydrophobicContact CB-CD1 4.34Å
78D98.4Very high98.4Very high57 Ų5755.5 Ų55.531%0.30527%0.267SS..Hα-helixtrans-60.7-45.7175.9-65.6-40.7000110.7K74 R75 K81 Q82 R110K74-D78 PolarHBondContact O-N 2.65Å; R75-D78 PolarHBondContact O-N 3.13Å; D78-K81 PolarHBondContact O-N 3.31Å; D78-Q82 WeakPolarHBondContact O-CB 3.05Å; D78-Q82 WeakPolarHBondContact O-CG 3.35Å; D78-Q82 PolarHBondContact O-N 3.23Å; D78-R110 IonicContact OD1-CZ 3.74Å; D78-R110 IonicContact OD1-NE 3.57Å; D78-R110 PolarHBondContact OD1-NE 3.27Å; D78-R110 IonicContact OD1-NH2 2.66Å; D78-R110 PolarHBondContact OD1-NH2 2.88Å; D78-R110 IonicContact OD2-NH2 2.7Å; D78-R110 PolarHBondContact OD2-NH2 2.95Å
79R98.4Very high98.5Very high129 Ų12954.6 Ų54.649%0.48726%0.263SS..Hα-helixtrans-61.2-44.9176.7-177.8178.7-178-166.12.1112.6I51 R75 Q76 L77 Q82 A83I51-R79 HydrophobicContact CD1-CG 4.11Å; I51-R79 HydrophobicContact CG1-CG 3.84Å; R75-R79 WeakPolarHBondContact O-CB 3.32Å; R75-R79 PolarHBondContact O-N 3.48Å; Q76-R79 PolarHBondContact O-N 3.49Å; L77-R79 VanDerWaalsContact C-N 3.34Å; R79-Q82 PolarHBondContact O-N 3.44Å; R79-A83 WeakPolarHBondContact O-CB 3.2Å; R79-A83 PolarHBondContact O-N 3.06Å; R79-A83 VanDerWaalsContact O-N 3.08Å
80A98.8Very high98.5Very high0 Ų053.4 Ų53.40%026%0.257CS..Hα-helixtrans-62.4-47.3177.900000111.6C67 Q76 L77 Q82 A83 G84 A85 V88C67-A80 HydrophobicContact CB-CB 3.81Å; Q76-A80 VanDerWaalsContact O-CB 3.32Å; Q76-A80 WeakPolarHBondContact O-CB 3.47Å; Q76-A80 PolarHBondContact O-N 3.08Å; L77-A80 PolarHBondContact O-N 2.77Å; A80-Q82 PolarHBondContact O-N 3.19Å; A80-A83 PolarHBondContact O-N 3Å; A80-G84 PolarHBondContact O-N 2.64Å; A80-A85 HydrophobicContact CB-CB 4.1Å; A80-A85 WeakPolarHBondContact O-CB 3.43Å; A80-A85 PolarHBondContact O-N 3.46Å; A80-V88 HydrophobicContact CB-CG1 3.79Å
81K98.6Very high98.6Very high109 Ų10950.4 Ų50.447%0.47424%0.244SC..Hα-helixtrans-63-42.9177.9-176.8171.1178.4-178.20112.2L77 D78 A83 G84 R110 L112L77-K81 WeakPolarHBondContact O-CB 3.31Å; L77-K81 PolarHBondContact O-N 2.87Å; D78-K81 PolarHBondContact O-N 3.31Å; K81-A83 PolarHBondContact O-N 3.24Å; K81-G84 PolarHBondContact O-N 2.64Å; K81-R110 HydrophobicContact CD-CB 4.07Å; K81-R110 WeakPolarHBondContact CD-O 3.44Å; K81-R110 VanDerWaalsContact CE-O 3.28Å; K81-R110 WeakPolarHBondContact CE-O 3.47Å; K81-R110 PolarHBondContact NZ-O 2.97Å; K81-L112 HydrophobicContact CB-CD1 4.34Å; K81-L112 HydrophobicContact CB-CD2 4.16Å; K81-L112 HydrophobicContact CG-CD2 4.47Å
82Q98.4Very high98.6Very high165 Ų16550.2 Ų50.277%0.77124%0.243SC*.Hα-helixtrans-63-31.9177.5-751695.200112.6D78 R79 A80 G84D78-Q82 WeakPolarHBondContact O-CB 3.05Å; D78-Q82 WeakPolarHBondContact O-CG 3.35Å; D78-Q82 PolarHBondContact O-N 3.23Å; R79-Q82 PolarHBondContact O-N 3.44Å; A80-Q82 PolarHBondContact O-N 3.19Å; Q82-G84 PolarHBondContact O-N 2.97Å
83A98.6Very high98.5Very high14 Ų1448.4 Ų48.412%0.11624%0.243CC..THydrogen-bonded Turntrans-77.1-1.2172.600000113.3I51 L54 A55 R79 A80 K81I51-A83 HydrophobicContact CD1-CB 3.9Å; I51-A83 HydrophobicContact CG1-CB 3.75Å; L54-A83 HydrophobicContact CD2-CB 3.58Å; L54-A83 VanDerWaalsContact CD2-O 3.26Å; L54-A83 WeakPolarHBondContact CD2-O 3.42Å; A55-A83 WeakPolarHBondContact CA-O 3.27Å; A55-A83 HydrophobicContact CB-CB 4.09Å; R79-A83 WeakPolarHBondContact O-CB 3.2Å; R79-A83 PolarHBondContact O-N 3.06Å; R79-A83 VanDerWaalsContact O-N 3.08Å; A80-A83 PolarHBondContact O-N 3Å; K81-A83 PolarHBondContact O-N 3.24Å
84G98.5Very high98.4Very high39 Ų3949.4 Ų49.440%0.40226%0.257SS..THydrogen-bonded Turntrans91.811.4177.300000114.8A80 K81 Q82 S86A80-G84 PolarHBondContact O-N 2.64Å; K81-G84 PolarHBondContact O-N 2.64Å; Q82-G84 PolarHBondContact O-N 2.97Å; G84-S86 PolarHBondContact O-N 3.09Å
85A98.8Very high98.5Very high7 Ų745.3 Ų45.36%0.05824%0.24CC..  trans-65.2136171.800000110.5L54 V65 C67 A80 L112L54-A85 HydrophobicContact CD1-CB 4.1Å; L54-A85 HydrophobicContact CD2-CB 3.93Å; V65-A85 WeakPolarHBondContact O-CA 3.5Å; C67-A85 HydrophobicContact CB-CB 3.81Å; A80-A85 HydrophobicContact CB-CB 4.1Å; A80-A85 WeakPolarHBondContact O-CB 3.43Å; A80-A85 PolarHBondContact O-N 3.46Å; A85-L112 WeakPolarHBondContact O-CD2 3.35Å
86S98.6Very high98.4Very high44 Ų4440.6 Ų40.631%0.30823%0.233SC..SBendtrans-100.1-20.9169.254.40000112.3P64 V65 G84 E113P64-S86 WeakPolarHBondContact CA-OG 3.28Å; P64-S86 WeakPolarHBondContact CB-OG 3.46Å; V65-S86 PolarHBondContact N-OG 3.46Å; V65-S86 PolarHBondContact O-N 2.9Å; G84-S86 PolarHBondContact O-N 3.09Å; S86-E113 PolarHBondContact O-N 2.65Å
87I98.8Very high98.4Very high14 Ų1442.1 Ų42.17%0.07224%0.241CC..EExtended strand (participates in β ladder)trans-126142.7179.3-39.1177.3000109.3A37 P64 V65 L66 C67 E113 L115A37-I87 HydrophobicContact CB-CD1 4.35Å; P64-I87 HydrophobicContact CB-CD1 4.04Å; P64-I87 HydrophobicContact CB-CG1 4.42Å; V65-I87 PolarHBondContact O-N 3.3Å; L66-I87 WeakPolarHBondContact CA-O 3.44Å; L66-I87 HydrophobicContact CB-CB 4.03Å; L66-I87 HydrophobicContact CD1-CB 3.95Å; L66-I87 HydrophobicContact CD1-CG2 3.79Å; C67-I87 PolarHBondContact N-O 3.33Å; I87-E113 WeakPolarHBondContact CA-O 3.28Å; I87-E113 HydrophobicContact CB-CB 4.46Å; I87-E113 HydrophobicContact CG1-CB 4.2Å; I87-E113 HydrophobicContact CG2-CB 4.12Å; I87-L115 HydrophobicContact CG2-CB 4.34Å
88V98.9Very high98.4Very high0 Ų045.8 Ų45.80%027%0.272CS..EExtended strand (participates in β ladder)trans-125152.3172.5-69.20000111.8C67 I71 L77 A80 A107 L112 E113 V114 L115C67-V88 HydrophobicContact CB-CG1 4.28Å; I71-V88 HydrophobicContact CD1-CB 3.71Å; I71-V88 HydrophobicContact CD1-CG1 3.98Å; L77-V88 HydrophobicContact CD2-CB 4.37Å; L77-V88 HydrophobicContact CD2-CG1 4.34Å; L77-V88 HydrophobicContact CD2-CG2 3.92Å; A80-V88 HydrophobicContact CB-CG1 3.79Å; V88-A107 HydrophobicContact CG2-CB 3.98Å; V88-L112 HydrophobicContact CG1-CD1 3.85Å; V88-L112 HydrophobicContact CG1-CD2 4.33Å; V88-L112 HydrophobicContact CG2-CB 4.3Å; V88-L112 HydrophobicContact CG2-CD1 4.3Å; V88-E113 PolarHBondContact N-O 3.02Å; V88-V114 HydrophobicContact CG2-CG1 4.44Å; V88-V114 HydrophobicContact CG2-CG2 4.12Å; V88-V114 WeakPolarHBondContact O-CA 3.32Å; V88-L115 PolarHBondContact O-N 2.74Å
89L98.8Very high98.4Very high2 Ų245.7 Ų45.71%0.0127%0.267CS..EExtended strand (participates in β ladder)trans-91.6132175.2-172.571.8000111.3L66 C67 K68 I91 L115 E117L66-L89 HydrophobicContact CD1-CB 4.4Å; C67-L89 PolarHBondContact O-N 2.82Å; K68-L89 HydrophobicContact CG-CD2 3.74Å; L89-I91 HydrophobicContact CD2-CD1 3.83Å; L89-I91 HydrophobicContact CD2-CG1 3.7Å; L89-I91 HydrophobicContact CG-CG1 3.92Å; L89-L115 HydrophobicContact CD1-CB 4.33Å; L89-L115 HydrophobicContact CD1-CD2 3.99Å; L89-L115 HydrophobicContact CD1-CG 4.05Å; L89-E117 HydrophobicContact CD1-CB 3.81Å
90L98.8Very high98.4Very high0 Ų039.6 Ų39.60%024%0.244CC..EExtended strand (participates in β ladder)trans-122.1120.4162.8-63.9-176.6000109.5I71 L95 L100 L103 V114 L115 V116 E117I71-L90 HydrophobicContact CB-CD2 4.01Å; I71-L90 HydrophobicContact CG2-CD2 3.83Å; L90-L95 HydrophobicContact CB-CD1 4.19Å; L90-L95 HydrophobicContact CD2-CD1 4.17Å; L90-L100 HydrophobicContact CB-CD1 4.05Å; L90-L100 HydrophobicContact CD1-CD1 4.29Å; L90-L103 HydrophobicContact CD1-CB 3.88Å; L90-L103 HydrophobicContact CD2-CB 3.96Å; L90-L103 HydrophobicContact CD2-CD1 4.18Å; L90-V114 HydrophobicContact CB-CG1 4.18Å; L90-V114 HydrophobicContact CD1-CG1 3.66Å; L90-V114 HydrophobicContact CG-CG1 3.68Å; L90-L115 PolarHBondContact N-O 3.27Å; L90-V116 CarbonylContact O-C 3.48Å; L90-V116 WeakPolarHBondContact O-CA 3.35Å; L90-E117 PolarHBondContact O-N 3.37Å
91I98.6Very high98.4Very high11 Ų1141.9 Ų41.96%0.05626%0.26CS..EExtended strand (participates in β ladder)trans-95.8118.2-177.9-52.1178.1000109.2F70 L89 A93 A94 E117 L142F70-I91 HydrophobicContact CD1-CD1 3.68Å; F70-I91 HydrophobicContact CE1-CD1 3.78Å; L89-I91 HydrophobicContact CD2-CD1 3.83Å; L89-I91 HydrophobicContact CD2-CG1 3.7Å; L89-I91 HydrophobicContact CG-CG1 3.92Å; I91-A93 VanDerWaalsContact C-N 3.27Å; I91-A93 HydrophobicContact CG2-CB 4.12Å; I91-A93 PolarHBondContact O-N 2.94Å; I91-A94 HydrophobicContact CB-CB 4.13Å; I91-A94 HydrophobicContact CG2-CB 4.45Å; I91-A94 PolarHBondContact O-N 3.3Å; I91-E117 HydrophobicContact CG1-CB 4.22Å; I91-L142 HydrophobicContact CG2-CD1 4.06Å
92V98.4Very high98.4Very high3 Ų341 Ų412%0.01826%0.258CS..G310 helixtrans-61.1-37.5-177.3177.60000111.8A94 L95 L100 V116 E117 V118 E123 K126 A127V92-A94 PolarHBondContact O-N 3.16Å; V92-L95 PolarHBondContact O-N 3.5Å; V92-L95 VanDerWaalsContact O-O 3.12Å; V92-L100 HydrophobicContact CG1-CD2 4.31Å; V92-L100 HydrophobicContact CG2-CD1 4.32Å; V92-L100 HydrophobicContact CG2-CD2 3.84Å; V92-V116 HydrophobicContact CG2-CG1 3.58Å; V92-E117 WeakPolarHBondContact CG2-O 3.19Å; V92-E117 PolarHBondContact N-O 3.37Å; V92-V118 HydrophobicContact CB-CG1 4.32Å; V92-V118 HydrophobicContact CG2-CG1 3.71Å; V92-E123 HydrophobicContact CB-CB 4.08Å; V92-E123 HydrophobicContact CB-CG 4.25Å; V92-E123 HydrophobicContact CG1-CB 3.81Å; V92-E123 HydrophobicContact CG1-CG 3.83Å; V92-K126 HydrophobicContact CG1-CB 4.02Å; V92-K126 HydrophobicContact CG1-CD 3.68Å; V92-A127 HydrophobicContact CG2-CB 4.5Å
93A97.5Very high98.4Very high63 Ų6333.2 Ų33.252%0.52122%0.221SC..G310 helixtrans-61.9-22.9176.700000114.1I91 E123I91-A93 VanDerWaalsContact C-N 3.27Å; I91-A93 HydrophobicContact CG2-CB 4.12Å; I91-A93 PolarHBondContact O-N 2.94Å; A93-E123 WeakPolarHBondContact CB-OE1 3.42Å
94A96.7Very high98.5Very high56 Ų5632.9 Ų32.946%0.46322%0.217SC..G310 helixtrans-95.6-7.3-176.700000113.6I91 V92I91-A94 HydrophobicContact CB-CB 4.13Å; I91-A94 HydrophobicContact CG2-CB 4.45Å; I91-A94 PolarHBondContact O-N 3.3Å; V92-A94 PolarHBondContact O-N 3.16Å
95L98.4Very high98.5Very high19 Ų1935.2 Ų35.210%0.09922%0.217CC..SBendtrans-129.7140.6-168.9-59.8174000111.6I72 L90 V92 R99 L100 L103I72-L95 HydrophobicContact CB-CD2 4.46Å; I72-L95 HydrophobicContact CG2-CD2 4.09Å; L90-L95 HydrophobicContact CB-CD1 4.19Å; L90-L95 HydrophobicContact CD2-CD1 4.17Å; V92-L95 PolarHBondContact O-N 3.5Å; V92-L95 VanDerWaalsContact O-O 3.12Å; L95-R99 HydrophobicContact CD2-CG 3.93Å; L95-L100 HydrophobicContact CB-CB 4.07Å; L95-L100 HydrophobicContact CD1-CB 4.42Å; L95-L100 HydrophobicContact CD1-CD1 3.94Å; L95-L103 HydrophobicContact CD1-CD1 4Å; L95-L103 HydrophobicContact CD2-CD1 3.92Å
96S98.1Very high98.5Very high75 Ų7536.8 Ų36.852%0.52422%0.223SC..  trans-66.8156.3165.573.10000110A98 R99 L100S96-A98 VanDerWaalsContact C-N 3.26Å; S96-A98 PolarHBondContact O-N 3.02Å; S96-R99 PolarHBondContact O-N 3.18Å; S96-R99 WeakPolarHBondContact OG-CB 3.3Å; S96-R99 PolarHBondContact OG-N 2.96Å; S96-L100 WeakPolarHBondContact O-CB 3.2Å; S96-L100 PolarHBondContact O-N 3.06Å
97M98.1Very high98.5Very high77 Ų7734.7 Ų34.738%0.37921%0.209SC..Hα-helixtrans-56.2-41.1179.6-173.662.8-171.300112.5L100 S101 K126 A129 I130M97-L100 HydrophobicContact SD-CD2 4.43Å; M97-S101 WeakPolarHBondContact O-CB 3.3Å; M97-S101 PolarHBondContact O-N 3.3Å; M97-K126 HydrophobicContact SD-CB 3.84Å; M97-K126 HydrophobicContact SD-CG 3.93Å; M97-A129 HydrophobicContact CE-CB 3.87Å; M97-I130 HydrophobicContact CE-CG2 3.36Å; M97-I130 HydrophobicContact SD-CG2 4.28Å
98A98.4Very high98.4Very high78 Ų7838.2 Ų38.265%0.64522%0.221SC*.Hα-helixtrans-62.7-44.8175.900000111.6S96 S101 E102S96-A98 VanDerWaalsContact C-N 3.26Å; S96-A98 PolarHBondContact O-N 3.02Å; A98-S101 PolarHBondContact O-N 3.31Å; A98-E102 WeakPolarHBondContact O-CB 3.31Å; A98-E102 PolarHBondContact O-N 3.14Å
99R98.5Very high98.4Very high55 Ų5545.4 Ų45.421%0.20825%0.252CS..Hα-helixtrans-70.2-38.8-179.2-172.456.4171.4173.8-6.1112.7I72 L95 S96 E102 L103I72-R99 PolarHBondContact O-NE 3.19Å; I72-R99 PolarHBondContact O-NH2 3.48Å; L95-R99 HydrophobicContact CD2-CG 3.93Å; S96-R99 PolarHBondContact O-N 3.18Å; S96-R99 WeakPolarHBondContact OG-CB 3.3Å; S96-R99 PolarHBondContact OG-N 2.96Å; R99-E102 WeakPolarHBondContact CD-OE2 3.4Å; R99-E102 IonicContact CZ-OE2 2.76Å; R99-E102 IonicContact NH1-OE1 3.35Å; R99-E102 PolarHBondContact NH1-OE1 2.96Å; R99-E102 IonicContact NH1-OE2 3.79Å; R99-E102 PolarHBondContact NH1-OE2 3.38Å; R99-E102 PolarHBondContact O-N 3.3Å; R99-L103 HydrophobicContact CG-CD1 3.97Å; R99-L103 HydrophobicContact CG-CG 4.37Å; R99-L103 WeakPolarHBondContact O-CB 3.49Å; R99-L103 WeakPolarHBondContact O-CG 3.33Å; R99-L103 PolarHBondContact O-N 2.95Å
100L98.8Very high98.4Very high1 Ų147.4 Ų47.41%0.00526%0.26CS..Hα-helixtrans-59.1-49174.2177.268.2000110.6L90 V92 L95 S96 M97 Y104 V116 K126 I130L90-L100 HydrophobicContact CB-CD1 4.05Å; L90-L100 HydrophobicContact CD1-CD1 4.29Å; V92-L100 HydrophobicContact CG1-CD2 4.31Å; V92-L100 HydrophobicContact CG2-CD1 4.32Å; V92-L100 HydrophobicContact CG2-CD2 3.84Å; L95-L100 HydrophobicContact CB-CB 4.07Å; L95-L100 HydrophobicContact CD1-CB 4.42Å; L95-L100 HydrophobicContact CD1-CD1 3.94Å; S96-L100 WeakPolarHBondContact O-CB 3.2Å; S96-L100 PolarHBondContact O-N 3.06Å; M97-L100 HydrophobicContact SD-CD2 4.43Å; L100-Y104 VanDerWaalsContact O-CB 3.26Å; L100-Y104 WeakPolarHBondContact O-CB 3.35Å; L100-Y104 PolarHBondContact O-N 3.14Å; L100-V116 HydrophobicContact CD1-CG1 4.32Å; L100-K126 HydrophobicContact CD2-CB 4.46Å; L100-I130 HydrophobicContact CD1-CD1 4.25Å; L100-I130 HydrophobicContact CD2-CD1 3.99Å; L100-I130 HydrophobicContact CD2-CG2 4.48Å; L100-I130 HydrophobicContact CG-CD1 3.81Å
101S98.6Very high98.4Very high47 Ų4750.6 Ų50.633%0.32929%0.293SS..Hα-helixtrans-61.9-44.7177.6-174.30000111.9M97 A98 Q105M97-S101 WeakPolarHBondContact O-CB 3.3Å; M97-S101 PolarHBondContact O-N 3.3Å; A98-S101 PolarHBondContact O-N 3.31Å; S101-Q105 VanDerWaalsContact O-CG 3.3Å; S101-Q105 WeakPolarHBondContact O-CG 3.31Å; S101-Q105 PolarHBondContact O-N 3.32Å; S101-Q105 VanDerWaalsContact O-N 3.1Å
102E98.7Very high98.4Very high92 Ų9250.2 Ų50.243%0.4329%0.291SS..Hα-helixtrans-59.7-53.2177-173.1-167.5168.900111.9A98 R99 Y104 Q105 E106A98-E102 WeakPolarHBondContact O-CB 3.31Å; A98-E102 PolarHBondContact O-N 3.14Å; R99-E102 WeakPolarHBondContact CD-OE2 3.4Å; R99-E102 IonicContact CZ-OE2 2.76Å; R99-E102 IonicContact NH1-OE1 3.35Å; R99-E102 PolarHBondContact NH1-OE1 2.96Å; R99-E102 IonicContact NH1-OE2 3.79Å; R99-E102 PolarHBondContact NH1-OE2 3.38Å; R99-E102 PolarHBondContact O-N 3.3Å; E102-Y104 VanDerWaalsContact C-N 3.35Å; E102-Y104 PolarHBondContact O-N 3.41Å; E102-Q105 PolarHBondContact O-N 2.92Å; E102-E106 HydrophobicContact CG-CG 4.49Å; E102-E106 WeakPolarHBondContact O-CB 3.3Å; E102-E106 VanDerWaalsContact O-CG 3.31Å; E102-E106 WeakPolarHBondContact O-CG 3.27Å; E102-E106 PolarHBondContact O-N 2.74Å
103L98.9Very high98.4Very high0 Ų054.4 Ų54.40%031%0.31CS..Hα-helixtrans-65.3-36.9-178.3-71.3173.4000112.3I71 K74 L77 L90 L95 R99 E106 A107I71-L103 HydrophobicContact CG2-CD1 4.49Å; K74-L103 HydrophobicContact CB-CD2 4.48Å; L77-L103 HydrophobicContact CD1-CD2 4.12Å; L90-L103 HydrophobicContact CD1-CB 3.88Å; L90-L103 HydrophobicContact CD2-CB 3.96Å; L90-L103 HydrophobicContact CD2-CD1 4.18Å; L95-L103 HydrophobicContact CD1-CD1 4Å; L95-L103 HydrophobicContact CD2-CD1 3.92Å; R99-L103 HydrophobicContact CG-CD1 3.97Å; R99-L103 HydrophobicContact CG-CG 4.37Å; R99-L103 WeakPolarHBondContact O-CB 3.49Å; R99-L103 WeakPolarHBondContact O-CG 3.33Å; R99-L103 PolarHBondContact O-N 2.95Å; L103-E106 PolarHBondContact O-N 2.97Å; L103-A107 VanDerWaalsContact O-CB 3.31Å; L103-A107 WeakPolarHBondContact O-CB 3.47Å; L103-A107 PolarHBondContact O-N 3.07Å
104Y98.8Very high98.4Very high7 Ų751.6 Ų51.63%0.02729%0.287CS..Hα-helixtrans-60.4-48.6175.3-177.1-92.6000111.1L100 E102 A107 R108 V114 V116 I130 G131 A132 E133L100-Y104 VanDerWaalsContact O-CB 3.26Å; L100-Y104 WeakPolarHBondContact O-CB 3.35Å; L100-Y104 PolarHBondContact O-N 3.14Å; E102-Y104 VanDerWaalsContact C-N 3.35Å; E102-Y104 PolarHBondContact O-N 3.41Å; Y104-A107 PolarHBondContact O-N 3.44Å; Y104-R108 HydrophobicContact CD1-CG 4.42Å; Y104-R108 HydrophobicContact CE1-CG 4.14Å; Y104-R108 WeakPolarHBondContact O-CG 3.44Å; Y104-R108 PolarHBondContact O-N 2.89Å; Y104-V114 HydrophobicContact CD2-CB 3.82Å; Y104-V114 HydrophobicContact CD2-CG1 3.79Å; Y104-V114 HydrophobicContact CD2-CG2 4.1Å; Y104-V114 HydrophobicContact CE2-CB 3.82Å; Y104-V114 HydrophobicContact CE2-CG1 4.22Å; Y104-V114 HydrophobicContact CE2-CG2 4.27Å; Y104-V116 HydrophobicContact CD2-CG2 3.82Å; Y104-V116 HydrophobicContact CE2-CG2 3.94Å; Y104-I130 HydrophobicContact CD1-CD1 4.5Å; Y104-I130 HydrophobicContact CD2-CD1 3.92Å; Y104-I130 HydrophobicContact CG-CD1 3.9Å; Y104-G131 PolarHBondContact OH-O 3.41Å; Y104-G131 VanDerWaalsContact OH-O 3.07Å; Y104-A132 HydrophobicContact CE2-CB 4.25Å; Y104-A132 WeakPolarHBondContact OH-CA 3.16Å; Y104-E133 PolarHBondContact OH-N 2.9Å; Y104-E133 VanDerWaalsContact OH-N 3.07Å
105Q98.7Very high98.5Very high88 Ų8849.1 Ų49.141%0.41127%0.265SS..Hα-helixtrans-66-41.1177.8-66.2-60.6-34.900112S101 E102 A107 R108 K109S101-Q105 VanDerWaalsContact O-CG 3.3Å; S101-Q105 WeakPolarHBondContact O-CG 3.31Å; S101-Q105 PolarHBondContact O-N 3.32Å; S101-Q105 VanDerWaalsContact O-N 3.1Å; E102-Q105 PolarHBondContact O-N 2.92Å; Q105-A107 VanDerWaalsContact C-N 3.34Å; Q105-A107 PolarHBondContact O-N 3.16Å; Q105-R108 PolarHBondContact O-N 2.85Å; Q105-K109 VanDerWaalsContact O-CG 3.31Å; Q105-K109 WeakPolarHBondContact O-CG 3.26Å; Q105-K109 PolarHBondContact O-N 2.93Å
106E98.7Very high98.5Very high40 Ų4048.2 Ų48.219%0.18726%0.261CS..Hα-helixtrans-65.7-34.8177.8-74.2-58.7121.700112.9L77 E102 L103 K109 R110L77-E106 HydrophobicContact CD1-CB 3.93Å; E102-E106 HydrophobicContact CG-CG 4.49Å; E102-E106 WeakPolarHBondContact O-CB 3.3Å; E102-E106 VanDerWaalsContact O-CG 3.31Å; E102-E106 WeakPolarHBondContact O-CG 3.27Å; E102-E106 PolarHBondContact O-N 2.74Å; L103-E106 PolarHBondContact O-N 2.97Å; E106-K109 WeakPolarHBondContact OE1-CD 3.49Å; E106-K109 IonicContact OE1-NZ 3.49Å; E106-K109 PolarHBondContact OE1-NZ 3.2Å; E106-R110 WeakPolarHBondContact O-CD 3.2Å; E106-R110 WeakPolarHBondContact O-CG 3.38Å; E106-R110 PolarHBondContact O-N 3.45Å; E106-R110 PolarHBondContact O-NH1 2.76Å; E106-R110 IonicContact OE2-CZ 2.74Å; E106-R110 IonicContact OE2-NH1 3.73Å; E106-R110 PolarHBondContact OE2-NH1 2.98Å; E106-R110 IonicContact OE2-NH2 3.38Å
107A98.8Very high98.6Very high0 Ų044.8 Ų44.80%024%0.237CC..Hα-helixtrans-67.3-47173.500000111.2L77 V88 L103 Y104 Q105 K109 R110 G111 L112 V114L77-A107 HydrophobicContact CD1-CB 4.07Å; L77-A107 HydrophobicContact CD2-CB 3.95Å; V88-A107 HydrophobicContact CG2-CB 3.98Å; L103-A107 VanDerWaalsContact O-CB 3.31Å; L103-A107 WeakPolarHBondContact O-CB 3.47Å; L103-A107 PolarHBondContact O-N 3.07Å; Y104-A107 PolarHBondContact O-N 3.44Å; Q105-A107 VanDerWaalsContact C-N 3.34Å; Q105-A107 PolarHBondContact O-N 3.16Å; A107-K109 PolarHBondContact O-N 3.39Å; A107-R110 CarbonylContact O-C 3.47Å; A107-R110 WeakPolarHBondContact O-CA 3.19Å; A107-R110 WeakPolarHBondContact O-CB 3.37Å; A107-R110 PolarHBondContact O-N 2.9Å; A107-G111 PolarHBondContact O-N 2.77Å; A107-L112 HydrophobicContact CB-CB 4.28Å; A107-L112 HydrophobicContact CB-CD1 4.42Å; A107-L112 WeakPolarHBondContact O-CB 3.29Å; A107-L112 PolarHBondContact O-N 2.87Å; A107-L112 VanDerWaalsContact O-N 3.1Å; A107-V114 HydrophobicContact CB-CG2 3.5Å; A107-V114 VanDerWaalsContact CB-CG2 3.5Å
108R98.4Very high98.6Very high89 Ų8941.2 Ų41.234%0.33622%0.219SC..Hα-helixtrans-61.9-40.6177.3-67.8-68.6-74.5175.3-12.8112.7Y104 Q105 R110 G111 L112 V114 E133Y104-R108 HydrophobicContact CD1-CG 4.42Å; Y104-R108 HydrophobicContact CE1-CG 4.14Å; Y104-R108 WeakPolarHBondContact O-CG 3.44Å; Y104-R108 PolarHBondContact O-N 2.89Å; Q105-R108 PolarHBondContact O-N 2.85Å; R108-R110 PolarHBondContact O-N 2.87Å; R108-G111 WeakPolarHBondContact O-CA 3.31Å; R108-G111 PolarHBondContact O-N 3.17Å; R108-L112 WeakPolarHBondContact CD-O 3.48Å; R108-V114 HydrophobicContact CG-CG2 4.46Å; R108-E133 IonicContact CZ-OE1 2.8Å; R108-E133 IonicContact CZ-OE2 2.85Å; R108-E133 IonicContact NE-OE1 3.2Å; R108-E133 IonicContact NH1-OE2 3.6Å; R108-E133 IonicContact NH2-OE1 2.66Å; R108-E133 PolarHBondContact NH2-OE1 3.1Å; R108-E133 IonicContact NH2-OE2 3.99Å; R108-E133 PolarHBondContact NH2-OE2 2.83Å
109K98.3Very high98.5Very high150 Ų15039.2 Ų39.265%0.65220%0.196SC*.Hα-helixtrans-58.6-27.6173-75.1175.5-167.8170.50113.1Q105 E106 A107 G111Q105-K109 VanDerWaalsContact O-CG 3.31Å; Q105-K109 WeakPolarHBondContact O-CG 3.26Å; Q105-K109 PolarHBondContact O-N 2.93Å; E106-K109 WeakPolarHBondContact OE1-CD 3.49Å; E106-K109 IonicContact OE1-NZ 3.49Å; E106-K109 PolarHBondContact OE1-NZ 3.2Å; A107-K109 PolarHBondContact O-N 3.39Å; K109-G111 VanDerWaalsContact C-N 3.29Å
110R98.1Very high98.4Very high45 Ų4539.8 Ų39.817%0.1720%0.203CC..THydrogen-bonded Turntrans-862175.1-68.9162.3172.968.72.7112.5D78 K81 E106 A107 R108 L112D78-R110 IonicContact OD1-CZ 3.74Å; D78-R110 IonicContact OD1-NE 3.57Å; D78-R110 PolarHBondContact OD1-NE 3.27Å; D78-R110 IonicContact OD1-NH2 2.66Å; D78-R110 PolarHBondContact OD1-NH2 2.88Å; D78-R110 IonicContact OD2-NH2 2.7Å; D78-R110 PolarHBondContact OD2-NH2 2.95Å; K81-R110 HydrophobicContact CD-CB 4.07Å; K81-R110 WeakPolarHBondContact CD-O 3.44Å; K81-R110 VanDerWaalsContact CE-O 3.28Å; K81-R110 WeakPolarHBondContact CE-O 3.47Å; K81-R110 PolarHBondContact NZ-O 2.97Å; E106-R110 WeakPolarHBondContact O-CD 3.2Å; E106-R110 WeakPolarHBondContact O-CG 3.38Å; E106-R110 PolarHBondContact O-N 3.45Å; E106-R110 PolarHBondContact O-NH1 2.76Å; E106-R110 IonicContact OE2-CZ 2.74Å; E106-R110 IonicContact OE2-NH1 3.73Å; E106-R110 PolarHBondContact OE2-NH1 2.98Å; E106-R110 IonicContact OE2-NH2 3.38Å; A107-R110 CarbonylContact O-C 3.47Å; A107-R110 WeakPolarHBondContact O-CA 3.19Å; A107-R110 WeakPolarHBondContact O-CB 3.37Å; A107-R110 PolarHBondContact O-N 2.9Å; R108-R110 PolarHBondContact O-N 2.87Å; R110-L112 VanDerWaalsContact C-N 3.27Å; R110-L112 HydrophobicContact CB-CD1 4.27Å; R110-L112 HydrophobicContact CB-CG 4.36Å; R110-L112 PolarHBondContact O-N 3.04Å
111G98.2Very high98.2Very high67 Ų6746 Ų4669%0.69123%0.23SC*.THydrogen-bonded Turntrans71.421.3-176.700000113.6A107 R108 K109A107-G111 PolarHBondContact O-N 2.77Å; R108-G111 WeakPolarHBondContact O-CA 3.31Å; R108-G111 PolarHBondContact O-N 3.17Å; K109-G111 VanDerWaalsContact C-N 3.29Å
112L98.7Very high98.1Very high3 Ų348.3 Ų48.32%0.01624%0.239CC..  trans-87.6138.9171.2-64.3164.8000109.5L77 K81 A85 V88 A107 R108 R110L77-L112 HydrophobicContact CB-CD1 4.34Å; K81-L112 HydrophobicContact CB-CD1 4.34Å; K81-L112 HydrophobicContact CB-CD2 4.16Å; K81-L112 HydrophobicContact CG-CD2 4.47Å; A85-L112 WeakPolarHBondContact O-CD2 3.35Å; V88-L112 HydrophobicContact CG1-CD1 3.85Å; V88-L112 HydrophobicContact CG1-CD2 4.33Å; V88-L112 HydrophobicContact CG2-CB 4.3Å; V88-L112 HydrophobicContact CG2-CD1 4.3Å; A107-L112 HydrophobicContact CB-CB 4.28Å; A107-L112 HydrophobicContact CB-CD1 4.42Å; A107-L112 WeakPolarHBondContact O-CB 3.29Å; A107-L112 PolarHBondContact O-N 2.87Å; A107-L112 VanDerWaalsContact O-N 3.1Å; R108-L112 WeakPolarHBondContact CD-O 3.48Å; R110-L112 VanDerWaalsContact C-N 3.27Å; R110-L112 HydrophobicContact CB-CD1 4.27Å; R110-L112 HydrophobicContact CB-CG 4.36Å; R110-L112 PolarHBondContact O-N 3.04Å
113E98.5Very high98Very high90 Ų9045.2 Ų45.242%0.42122%0.224SC..EExtended strand (participates in β ladder)trans-75.3155.7158.9-67.6-176.4178.200110S86 I87 V88 I134S86-E113 PolarHBondContact O-N 2.65Å; I87-E113 WeakPolarHBondContact CA-O 3.28Å; I87-E113 HydrophobicContact CB-CB 4.46Å; I87-E113 HydrophobicContact CG1-CB 4.2Å; I87-E113 HydrophobicContact CG2-CB 4.12Å; V88-E113 PolarHBondContact N-O 3.02Å; E113-I134 HydrophobicContact CB-CD1 4.19Å; E113-I134 WeakPolarHBondContact OE2-CD1 3.32Å
114V98.7Very high97.8Very high4 Ų445.6 Ų45.62%0.02423%0.227CC..EExtended strand (participates in β ladder)trans-131.2115.4-174-1710000109.5V88 L90 Y104 A107 R108 V116V88-V114 HydrophobicContact CG2-CG1 4.44Å; V88-V114 HydrophobicContact CG2-CG2 4.12Å; V88-V114 WeakPolarHBondContact O-CA 3.32Å; L90-V114 HydrophobicContact CB-CG1 4.18Å; L90-V114 HydrophobicContact CD1-CG1 3.66Å; L90-V114 HydrophobicContact CG-CG1 3.68Å; Y104-V114 HydrophobicContact CD2-CB 3.82Å; Y104-V114 HydrophobicContact CD2-CG1 3.79Å; Y104-V114 HydrophobicContact CD2-CG2 4.1Å; Y104-V114 HydrophobicContact CE2-CB 3.82Å; Y104-V114 HydrophobicContact CE2-CG1 4.22Å; Y104-V114 HydrophobicContact CE2-CG2 4.27Å; A107-V114 HydrophobicContact CB-CG2 3.5Å; A107-V114 VanDerWaalsContact CB-CG2 3.5Å; R108-V114 HydrophobicContact CG-CG2 4.46Å; V114-V116 HydrophobicContact CG1-CG2 3.91Å
115L98.7Very high97.7Very high4 Ų451.1 Ų51.12%0.02125%0.247CC..EExtended strand (participates in β ladder)trans-83.5108.9167179.862.6000108.1L66 I87 V88 L89 L90 I134 I165 L187L66-L115 HydrophobicContact CD2-CD2 3.7Å; I87-L115 HydrophobicContact CG2-CB 4.34Å; V88-L115 PolarHBondContact O-N 2.74Å; L89-L115 HydrophobicContact CD1-CB 4.33Å; L89-L115 HydrophobicContact CD1-CD2 3.99Å; L89-L115 HydrophobicContact CD1-CG 4.05Å; L90-L115 PolarHBondContact N-O 3.27Å; L115-I134 HydrophobicContact CD1-CG2 3.64Å; L115-I165 HydrophobicContact CD1-CB 4.28Å; L115-I165 HydrophobicContact CD1-CG1 4.17Å; L115-L187 HydrophobicContact CD2-CD1 4.36Å
116V98.6Very high97.6Very high0 Ų051 Ų510%025%0.246CC..EExtended strand (participates in β ladder)trans-91.9105.3178.5-177.60000109.3L90 V92 L100 Y104 V114 A127 I130 A132 I134 I135 G136L90-V116 CarbonylContact O-C 3.48Å; L90-V116 WeakPolarHBondContact O-CA 3.35Å; V92-V116 HydrophobicContact CG2-CG1 3.58Å; L100-V116 HydrophobicContact CD1-CG1 4.32Å; Y104-V116 HydrophobicContact CD2-CG2 3.82Å; Y104-V116 HydrophobicContact CE2-CG2 3.94Å; V114-V116 HydrophobicContact CG1-CG2 3.91Å; V116-A127 HydrophobicContact CB-CB 4.4Å; V116-A127 HydrophobicContact CG1-CB 3.64Å; V116-I130 HydrophobicContact CG2-CD1 4.34Å; V116-A132 HydrophobicContact CB-CB 4.02Å; V116-A132 HydrophobicContact CG2-CB 3.73Å; V116-I134 PolarHBondContact N-O 3.29Å; V116-I135 WeakPolarHBondContact O-CA 3.15Å; V116-G136 PolarHBondContact O-N 2.92Å
117E98.6Very high97.5Very high4 Ų449.1 Ų49.12%0.01924%0.237CC..EExtended strand (participates in β ladder)trans-83.3128.9-175.1-166.1-172.1107.200111.4K68 L89 L90 I91 V92 G136 N138K68-E117 IonicContact NZ-OE2 3.44Å; K68-E117 PolarHBondContact NZ-OE2 3.29Å; K68-E117 VanDerWaalsContact NZ-OE2 3.07Å; L89-E117 HydrophobicContact CD1-CB 3.81Å; L90-E117 PolarHBondContact O-N 3.37Å; I91-E117 HydrophobicContact CG1-CB 4.22Å; V92-E117 WeakPolarHBondContact CG2-O 3.19Å; V92-E117 PolarHBondContact N-O 3.37Å; E117-G136 CarbonylContact C-O 3.58Å; E117-G136 VanDerWaalsContact CA-O 3.27Å; E117-G136 WeakPolarHBondContact CA-O 3.34Å; E117-N138 VanDerWaalsContact CD-ND2 3.31Å; E117-N138 HydrophobicContact CG-CB 3.72Å; E117-N138 PolarHBondContact OE1-ND2 3.38Å
118V97.9Very high97.3Very high1 Ų152.4 Ų52.41%0.00625%0.252CS..EExtended strand (participates in β ladder)trans-132.7154.8-179.6-55.20000110.9V92 E123 L124 A127 I135 G136 V137 N138V92-V118 HydrophobicContact CB-CG1 4.32Å; V92-V118 HydrophobicContact CG2-CG1 3.71Å; V118-E123 WeakPolarHBondContact CA-OE2 3.2Å; V118-E123 HydrophobicContact CB-CB 3.77Å; V118-E123 HydrophobicContact CG1-CB 4.01Å; V118-E123 WeakPolarHBondContact CG1-O 3.37Å; V118-L124 HydrophobicContact CG2-CB 4.34Å; V118-L124 HydrophobicContact CG2-CD1 4.49Å; V118-A127 HydrophobicContact CG1-CB 3.78Å; V118-I135 HydrophobicContact CG1-CG2 4.34Å; V118-I135 HydrophobicContact CG2-CG2 3.89Å; V118-G136 PolarHBondContact N-O 2.88Å; V118-V137 HydrophobicContact CG2-CG2 3.87Å; V118-V137 CarbonylContact O-C 3.47Å; V118-V137 WeakPolarHBondContact O-CA 3.48Å; V118-N138 PolarHBondContact O-N 2.99Å
119H96.8Very high97.1Very high37 Ų3751.8 Ų51.817%0.17127%0.266CS..  trans-124.4-21.6178.1-173.863.9000113.9E123 N138 R140 N141 T151H119-E123 PolarHBondContact N-OE2 3.22Å; H119-N138 PolarHBondContact ND1-O 3.45Å; H119-R140 PolarHBondContact ND1-O 3.01Å; H119-N141 VanDerWaalsContact CE1-CA 3.42Å; H119-N141 WeakPolarHBondContact CE1-CA 3.41Å; H119-N141 PolarHBondContact CE1-N 2.88Å; H119-N141 WeakPolarHBondContact NE2-CB 3.09Å; H119-N141 PolarHBondContact NE2-ND2 2.73Å; H119-N141 VanDerWaalsContact NE2-ND2 3.11Å; H119-T151 WeakPolarHBondContact O-CG2 3.36Å
120D95.9Very high97Very high66 Ų6645.5 Ų45.535%0.35324%0.239SC..SBendtrans-140.8179-1786942000112.9D122 E123 L124 L155D120-D122 VanDerWaalsContact C-N 3.3Å; D120-D122 PolarHBondContact O-N 3.08Å; D120-D122 WeakPolarHBondContact OD1-CA 3.36Å; D120-D122 WeakPolarHBondContact OD1-CB 3.35Å; D120-D122 PolarHBondContact OD1-N 2.66Å; D120-E123 PolarHBondContact O-N 3.2Å; D120-E123 PolarHBondContact OD1-N 3.02Å; D120-L124 WeakPolarHBondContact O-CB 3.22Å; D120-L124 PolarHBondContact O-N 2.8Å; D120-L155 VanDerWaalsContact C-CD2 3.5Å
121K95.5Very high96.9Very high132 Ų13245.5 Ų45.557%0.57425%0.253SS*.Hα-helixtrans-67.4-30.7-174.2-165.7176.5-174.4171.40112.4R125 L155K121-R125 VanDerWaalsContact CE-NH2 3.3Å; K121-R125 VanDerWaalsContact O-CG 3.27Å; K121-R125 WeakPolarHBondContact O-CG 3.34Å; K121-R125 PolarHBondContact O-N 3.44Å; K121-R125 VanDerWaalsContact O-N 3.1Å; K121-L155 HydrophobicContact CB-CD2 4.05Å
122D95.8Very high96.8Very high96 Ų9642.3 Ų42.351%0.51322%0.221SC..Hα-helixtrans-75.6-39178.8-71-26.3000110.8D120 R125 K126D120-D122 VanDerWaalsContact C-N 3.3Å; D120-D122 PolarHBondContact O-N 3.08Å; D120-D122 WeakPolarHBondContact OD1-CA 3.36Å; D120-D122 WeakPolarHBondContact OD1-CB 3.35Å; D120-D122 PolarHBondContact OD1-N 2.66Å; D122-R125 PolarHBondContact O-N 3.38Å; D122-R125 IonicContact OD1-CZ 2.63Å; D122-R125 IonicContact OD1-NH1 3.82Å; D122-R125 PolarHBondContact OD1-NH1 3.17Å; D122-K126 WeakPolarHBondContact O-CG 3.46Å; D122-K126 PolarHBondContact O-N 3.48Å
123E97.1Very high96.7Very high26 Ų2646.8 Ų46.812%0.12124%0.241CC..Hα-helixtrans-65.2-42.5172.5-65.6-177.6-179.100111.9V92 A93 V118 H119 D120 R125 K126 A127V92-E123 HydrophobicContact CB-CB 4.08Å; V92-E123 HydrophobicContact CB-CG 4.25Å; V92-E123 HydrophobicContact CG1-CB 3.81Å; V92-E123 HydrophobicContact CG1-CG 3.83Å; A93-E123 WeakPolarHBondContact CB-OE1 3.42Å; V118-E123 WeakPolarHBondContact CA-OE2 3.2Å; V118-E123 HydrophobicContact CB-CB 3.77Å; V118-E123 HydrophobicContact CG1-CB 4.01Å; V118-E123 WeakPolarHBondContact CG1-O 3.37Å; H119-E123 PolarHBondContact N-OE2 3.22Å; D120-E123 PolarHBondContact O-N 3.2Å; D120-E123 PolarHBondContact OD1-N 3.02Å; E123-R125 VanDerWaalsContact C-N 3.35Å; E123-R125 PolarHBondContact O-N 3.29Å; E123-K126 WeakPolarHBondContact O-CB 3.37Å; E123-K126 PolarHBondContact O-N 3.04Å; E123-K126 VanDerWaalsContact O-N 3.13Å; E123-A127 PolarHBondContact O-N 3.45Å
124L95.9Very high96.6Very high9 Ų943.6 Ų43.65%0.04723%0.227CC..Hα-helixtrans-58.2-44.7174.4176.958.1000111.9V118 D120 K126 A127 Q128 I135 L155 Y164V118-L124 HydrophobicContact CG2-CB 4.34Å; V118-L124 HydrophobicContact CG2-CD1 4.49Å; D120-L124 WeakPolarHBondContact O-CB 3.22Å; D120-L124 PolarHBondContact O-N 2.8Å; L124-K126 VanDerWaalsContact C-N 3.31Å; L124-K126 PolarHBondContact O-N 3.38Å; L124-A127 PolarHBondContact O-N 3.03Å; L124-Q128 HydrophobicContact CD1-CG 4.23Å; L124-Q128 WeakPolarHBondContact O-CG 3.46Å; L124-Q128 PolarHBondContact O-N 2.91Å; L124-I135 HydrophobicContact CD1-CD1 4.23Å; L124-I135 HydrophobicContact CD1-CG2 4.07Å; L124-L155 HydrophobicContact CD2-CB 4.35Å; L124-L155 HydrophobicContact CD2-CD2 4.25Å; L124-Y164 HydrophobicContact CD1-CE1 3.84Å
125R94.8Very high96.5Very high122 Ų12243.4 Ų43.446%0.4623%0.226SC..Hα-helixtrans-60.2-39.1175.5-74.5173.6-172.5126.6-9.6112.3K121 D122 E123 Q128 A129K121-R125 VanDerWaalsContact CE-NH2 3.3Å; K121-R125 VanDerWaalsContact O-CG 3.27Å; K121-R125 WeakPolarHBondContact O-CG 3.34Å; K121-R125 PolarHBondContact O-N 3.44Å; K121-R125 VanDerWaalsContact O-N 3.1Å; D122-R125 PolarHBondContact O-N 3.38Å; D122-R125 IonicContact OD1-CZ 2.63Å; D122-R125 IonicContact OD1-NH1 3.82Å; D122-R125 PolarHBondContact OD1-NH1 3.17Å; E123-R125 VanDerWaalsContact C-N 3.35Å; E123-R125 PolarHBondContact O-N 3.29Å; R125-Q128 PolarHBondContact O-N 3.23Å; R125-A129 VanDerWaalsContact O-CB 3.28Å; R125-A129 WeakPolarHBondContact O-CB 3.45Å; R125-A129 PolarHBondContact O-N 2.93Å
126K96.9Very high96.5Very high86 Ų8643.2 Ų43.237%0.37423%0.225SC..Hα-helixtrans-65.3-43.9176.5-69.6169.5-175.2169.50111.7V92 M97 L100 D122 E123 L124 Q128 A129 I130V92-K126 HydrophobicContact CG1-CB 4.02Å; V92-K126 HydrophobicContact CG1-CD 3.68Å; M97-K126 HydrophobicContact SD-CB 3.84Å; M97-K126 HydrophobicContact SD-CG 3.93Å; L100-K126 HydrophobicContact CD2-CB 4.46Å; D122-K126 WeakPolarHBondContact O-CG 3.46Å; D122-K126 PolarHBondContact O-N 3.48Å; E123-K126 WeakPolarHBondContact O-CB 3.37Å; E123-K126 PolarHBondContact O-N 3.04Å; E123-K126 VanDerWaalsContact O-N 3.13Å; L124-K126 VanDerWaalsContact C-N 3.31Å; L124-K126 PolarHBondContact O-N 3.38Å; K126-Q128 VanDerWaalsContact C-N 3.34Å; K126-Q128 PolarHBondContact O-N 3.08Å; K126-A129 PolarHBondContact O-N 2.96Å; K126-I130 PolarHBondContact O-N 3.21Å
127A96.7Very high96.5Very high0 Ų043.2 Ų43.20%023%0.225CC..Hα-helixtrans-61.4-41.9175.600000111.9V92 V116 V118 E123 L124 I130 A132 I135V92-A127 HydrophobicContact CG2-CB 4.5Å; V116-A127 HydrophobicContact CB-CB 4.4Å; V116-A127 HydrophobicContact CG1-CB 3.64Å; V118-A127 HydrophobicContact CG1-CB 3.78Å; E123-A127 PolarHBondContact O-N 3.45Å; L124-A127 PolarHBondContact O-N 3.03Å; A127-I130 WeakPolarHBondContact O-CG1 3.43Å; A127-A132 HydrophobicContact CB-CB 4.27Å; A127-A132 WeakPolarHBondContact O-CB 3.31Å; A127-A132 PolarHBondContact O-N 3.03Å; A127-I135 HydrophobicContact CB-CD1 4.11Å; A127-I135 HydrophobicContact CB-CG1 4.28Å; A127-I135 HydrophobicContact CB-CG2 4.48Å
128Q94.5Very high96.4Very high69 Ų6943.4 Ų43.432%0.32223%0.226SC..Hα-helixtrans-66-40.5174.8-70.9172.8-21.900112.2L124 R125 K126 I130 G131 I135 Y164L124-Q128 HydrophobicContact CD1-CG 4.23Å; L124-Q128 WeakPolarHBondContact O-CG 3.46Å; L124-Q128 PolarHBondContact O-N 2.91Å; R125-Q128 PolarHBondContact O-N 3.23Å; K126-Q128 VanDerWaalsContact C-N 3.34Å; K126-Q128 PolarHBondContact O-N 3.08Å; Q128-I130 VanDerWaalsContact C-N 3.29Å; Q128-I130 PolarHBondContact O-N 2.9Å; Q128-G131 PolarHBondContact O-N 3.47Å; Q128-I135 HydrophobicContact CG-CD1 4.2Å; Q128-Y164 PolarHBondContact NE2-OH 2.89Å
129A94.9Very high96.4Very high76 Ų7643.3 Ų43.363%0.62823%0.226SC*.Hα-helixtrans-64.6-28.3-178.900000113.8M97 R125 K126 G131M97-A129 HydrophobicContact CE-CB 3.87Å; R125-A129 VanDerWaalsContact O-CB 3.28Å; R125-A129 WeakPolarHBondContact O-CB 3.45Å; R125-A129 PolarHBondContact O-N 2.93Å; K126-A129 PolarHBondContact O-N 2.96Å; A129-G131 VanDerWaalsContact C-N 3.3Å
130I96.8Very high96.3Very high18 Ų1843.2 Ų43.29%0.09222%0.224CC..THydrogen-bonded Turntrans-84.4-2.9172.267.1173.4000113.5M97 L100 Y104 V116 K126 A127 Q128 A132M97-I130 HydrophobicContact CE-CG2 3.36Å; M97-I130 HydrophobicContact SD-CG2 4.28Å; L100-I130 HydrophobicContact CD1-CD1 4.25Å; L100-I130 HydrophobicContact CD2-CD1 3.99Å; L100-I130 HydrophobicContact CD2-CG2 4.48Å; L100-I130 HydrophobicContact CG-CD1 3.81Å; Y104-I130 HydrophobicContact CD1-CD1 4.5Å; Y104-I130 HydrophobicContact CD2-CD1 3.92Å; Y104-I130 HydrophobicContact CG-CD1 3.9Å; V116-I130 HydrophobicContact CG2-CD1 4.34Å; K126-I130 PolarHBondContact O-N 3.21Å; A127-I130 WeakPolarHBondContact O-CG1 3.43Å; Q128-I130 VanDerWaalsContact C-N 3.29Å; Q128-I130 PolarHBondContact O-N 2.9Å; I130-A132 HydrophobicContact CD1-CB 4.47Å; I130-A132 HydrophobicContact CG1-CB 4.25Å
131G95.2Very high96.1Very high45 Ų4542.1 Ų42.146%0.46422%0.218SC..THydrogen-bonded Turntrans71.839.1-175.600000113.4Y104 Q128 A129 E133Y104-G131 PolarHBondContact OH-O 3.41Å; Y104-G131 VanDerWaalsContact OH-O 3.07Å; Q128-G131 PolarHBondContact O-N 3.47Å; A129-G131 VanDerWaalsContact C-N 3.3Å; G131-E133 PolarHBondContact O-N 2.79Å
132A96.6Very high95.9Very high1 Ų139.1 Ų39.11%0.00821%0.208CC..  trans-58.9122.9177.700000111.7Y104 V116 A127 I130 I135 S162Y104-A132 HydrophobicContact CE2-CB 4.25Å; Y104-A132 WeakPolarHBondContact OH-CA 3.16Å; V116-A132 HydrophobicContact CB-CB 4.02Å; V116-A132 HydrophobicContact CG2-CB 3.73Å; A127-A132 HydrophobicContact CB-CB 4.27Å; A127-A132 WeakPolarHBondContact O-CB 3.31Å; A127-A132 PolarHBondContact O-N 3.03Å; I130-A132 HydrophobicContact CD1-CB 4.47Å; I130-A132 HydrophobicContact CG1-CB 4.25Å; A132-I135 HydrophobicContact CB-CD1 4.14Å; A132-I135 HydrophobicContact CB-CG1 3.73Å; A132-S162 WeakPolarHBondContact O-CB 3.22Å; A132-S162 PolarHBondContact O-OG 3.39Å
133E95.8Very high95.7Very high96 Ų9643.6 Ų43.645%0.44922%0.223SC..SBendtrans-79-33.5178.7-72173.7-14900112.1Y104 R108 G131 S162 I163Y104-E133 PolarHBondContact OH-N 2.9Å; Y104-E133 VanDerWaalsContact OH-N 3.07Å; R108-E133 IonicContact CZ-OE1 2.8Å; R108-E133 IonicContact CZ-OE2 2.85Å; R108-E133 IonicContact NE-OE1 3.2Å; R108-E133 IonicContact NH1-OE2 3.6Å; R108-E133 IonicContact NH2-OE1 2.66Å; R108-E133 PolarHBondContact NH2-OE1 3.1Å; R108-E133 IonicContact NH2-OE2 3.99Å; R108-E133 PolarHBondContact NH2-OE2 2.83Å; G131-E133 PolarHBondContact O-N 2.79Å; E133-S162 CarbonylContact O-C 3.45Å; E133-S162 WeakPolarHBondContact O-CA 3.37Å; E133-I163 PolarHBondContact O-N 2.88Å
134I97.2Very high95.4Very high23 Ų2346 Ų4612%0.11824%0.239CC..EExtended strand (participates in β ladder)trans-124.4118.6176.9-46.1177.2000108.9E113 L115 V116 I163 I165E113-I134 HydrophobicContact CB-CD1 4.19Å; E113-I134 WeakPolarHBondContact OE2-CD1 3.32Å; L115-I134 HydrophobicContact CD1-CG2 3.64Å; V116-I134 PolarHBondContact N-O 3.29Å; I134-I163 CarbonylContact C-O 3.58Å; I134-I163 WeakPolarHBondContact CA-O 3.31Å; I134-I165 HydrophobicContact CG2-CG1 4Å
135I97.3Very high95.1Very high0 Ų049.7 Ų49.70%026%0.255CS..EExtended strand (participates in β ladder)trans-116.6123.6-178.1-59.9175.9000109.2V116 V118 L124 A127 Q128 A132 I163 Y164 I165V116-I135 WeakPolarHBondContact O-CA 3.15Å; V118-I135 HydrophobicContact CG1-CG2 4.34Å; V118-I135 HydrophobicContact CG2-CG2 3.89Å; L124-I135 HydrophobicContact CD1-CD1 4.23Å; L124-I135 HydrophobicContact CD1-CG2 4.07Å; A127-I135 HydrophobicContact CB-CD1 4.11Å; A127-I135 HydrophobicContact CB-CG1 4.28Å; A127-I135 HydrophobicContact CB-CG2 4.48Å; Q128-I135 HydrophobicContact CG-CD1 4.2Å; A132-I135 HydrophobicContact CB-CD1 4.14Å; A132-I135 HydrophobicContact CB-CG1 3.73Å; I135-I163 PolarHBondContact N-O 3.24Å; I135-Y164 HydrophobicContact CB-CD1 3.8Å; I135-Y164 HydrophobicContact CB-CE1 3.91Å; I135-Y164 HydrophobicContact CB-CG 4.49Å; I135-Y164 HydrophobicContact CD1-CE1 3.86Å; I135-Y164 HydrophobicContact CG1-CE1 4.43Å; I135-Y164 HydrophobicContact CG2-CD1 3.99Å; I135-Y164 HydrophobicContact CG2-CE1 3.99Å; I135-Y164 CarbonylContact O-C 3.52Å; I135-Y164 WeakPolarHBondContact O-CA 3.41Å; I135-I165 PolarHBondContact O-N 3.36Å
136G97.7Very high95Very high0 Ų049.4 Ų49.40%026%0.263CS..EExtended strand (participates in β ladder)trans-98.1120.1176.500000111V116 E117 V118 I165 E167V116-G136 PolarHBondContact O-N 2.92Å; E117-G136 CarbonylContact C-O 3.58Å; E117-G136 VanDerWaalsContact CA-O 3.27Å; E117-G136 WeakPolarHBondContact CA-O 3.34Å; V118-G136 PolarHBondContact N-O 2.88Å; G136-I165 CarbonylContact C-O 3.59Å; G136-I165 VanDerWaalsContact CA-O 3.3Å; G136-I165 WeakPolarHBondContact CA-O 3.43Å; G136-E167 VanDerWaalsContact CA-OE1 3.3Å; G136-E167 WeakPolarHBondContact CA-OE1 3.32Å
137V97.7Very high94.8Very high1 Ų148.2 Ų48.21%0.00626%0.263CS..EExtended strand (participates in β ladder)trans-95.1106.6173176.90000108.9V118 N139 T151 L155 I165 E167 Y183V118-V137 HydrophobicContact CG2-CG2 3.87Å; V118-V137 CarbonylContact O-C 3.47Å; V118-V137 WeakPolarHBondContact O-CA 3.48Å; V137-N139 PolarHBondContact O-N 3.46Å; V137-T151 HydrophobicContact CG1-CG2 4.06Å; V137-L155 HydrophobicContact CG1-CD1 3.65Å; V137-L155 HydrophobicContact CG2-CD1 4.32Å; V137-I165 PolarHBondContact N-O 3.31Å; V137-E167 PolarHBondContact O-N 3.43Å; V137-Y183 HydrophobicContact CB-CE1 3.78Å; V137-Y183 HydrophobicContact CG2-CE1 3.7Å; V137-Y183 WeakPolarHBondContact CG2-OH 3.28Å
138N97.4Very high94.8Very high7 Ų750.9 Ų50.94%0.03728%0.281CS..EExtended strand (participates in β ladder)trans-81.4108.3180-167.1-6.3000110.7E117 V118 H119 R140E117-N138 VanDerWaalsContact CD-ND2 3.31Å; E117-N138 HydrophobicContact CG-CB 3.72Å; E117-N138 PolarHBondContact OE1-ND2 3.38Å; V118-N138 PolarHBondContact O-N 2.99Å; H119-N138 PolarHBondContact ND1-O 3.45Å; N138-R140 PolarHBondContact O-N 2.65Å; N138-R140 VanDerWaalsContact O-N 3.14Å; N138-R140 VanDerWaalsContact OD1-CB 3.31Å; N138-R140 WeakPolarHBondContact OD1-CB 3.36Å; N138-R140 PolarHBondContact OD1-N 2.86Å
139N97Very high94.7Very high0 Ų048.6 Ų48.60%027%0.271CS..  trans-68-10.2176.9-66-54.4000113V137 V147 S148 L149 S152 S166 E167 S168V137-N139 PolarHBondContact O-N 3.46Å; N139-V147 HydrophobicContact CB-CG1 4.21Å; N139-V147 WeakPolarHBondContact O-CA 3.47Å; N139-S148 WeakPolarHBondContact CB-O 3.26Å; N139-S148 PolarHBondContact O-N 3Å; N139-S148 PolarHBondContact OD1-O 3.43Å; N139-L149 WeakPolarHBondContact ND2-CD2 3.34Å; N139-S152 VanDerWaalsContact CG-OG 3.32Å; N139-S152 PolarHBondContact ND2-OG 2.93Å; N139-S152 VanDerWaalsContact OD1-CB 3.31Å; N139-S152 WeakPolarHBondContact OD1-CB 3.33Å; N139-S152 PolarHBondContact OD1-N 3.22Å; N139-S152 VanDerWaalsContact OD1-N 3.14Å; N139-S152 PolarHBondContact OD1-OG 2.7Å; N139-S166 PolarHBondContact ND2-OG 3.47Å; N139-E167 VanDerWaalsContact CB-O 3.32Å; N139-E167 WeakPolarHBondContact CB-O 3.44Å; N139-E167 PolarHBondContact N-O 2.87Å; N139-E167 PolarHBondContact ND2-O 3.14Å; N139-S168 PolarHBondContact ND2-O 2.96Å
140R94.6Very high94.7Very high35 Ų3549.3 Ų49.313%0.13226%0.261CS..BIsolated β-bridgetrans-91.2123.3173.8-173-178.1-55.8-85.74.2110.2S13 H119 N138 L142 F145 N146 V147S13-R140 PolarHBondContact OG-NH1 2.91Å; H119-R140 PolarHBondContact ND1-O 3.01Å; N138-R140 PolarHBondContact O-N 2.65Å; N138-R140 VanDerWaalsContact O-N 3.14Å; N138-R140 VanDerWaalsContact OD1-CB 3.31Å; N138-R140 WeakPolarHBondContact OD1-CB 3.36Å; N138-R140 PolarHBondContact OD1-N 2.86Å; R140-L142 PolarHBondContact O-N 3.24Å; R140-F145 PolarHBondContact NH1-O 2.97Å; R140-F145 VanDerWaalsContact NH1-O 3.14Å; R140-N146 WeakPolarHBondContact CA-O 3.35Å; R140-V147 HydrophobicContact CB-CG2 4.02Å; R140-V147 HydrophobicContact CG-CG2 3.99Å; R140-V147 VanDerWaalsContact CZ-CG2 3.45Å; R140-V147 VanDerWaalsContact NH1-CG2 3.27Å
141N92.8Very high94.6Very high42 Ų4249.6 Ų49.623%0.22526%0.264CS..  trans-71.1116.1168.1-174.3-69.8000109.6H119 K143 T144 F145 N146H119-N141 VanDerWaalsContact CE1-CA 3.42Å; H119-N141 WeakPolarHBondContact CE1-CA 3.41Å; H119-N141 PolarHBondContact CE1-N 2.88Å; H119-N141 WeakPolarHBondContact NE2-CB 3.09Å; H119-N141 PolarHBondContact NE2-ND2 2.73Å; H119-N141 VanDerWaalsContact NE2-ND2 3.11Å; N141-K143 PolarHBondContact O-N 3.33Å; N141-K143 WeakPolarHBondContact OD1-CA 3.34Å; N141-K143 WeakPolarHBondContact OD1-CB 3.45Å; N141-K143 PolarHBondContact OD1-N 3.34Å; N141-T144 WeakPolarHBondContact CB-OG1 3.37Å; N141-T144 PolarHBondContact O-N 2.9Å; N141-T144 PolarHBondContact OD1-N 2.87Å; N141-T144 PolarHBondContact OD1-OG1 3.36Å; N141-F145 WeakPolarHBondContact O-CA 3.33Å; N141-F145 PolarHBondContact O-N 3.1Å; N141-N146 PolarHBondContact N-O 3.37Å
142L91.4Very high94.6Very high69 Ų6947.4 Ų47.436%0.36124%0.242SC..THydrogen-bonded Turntrans-70.7-11.4-175.4-62.4-179.5000114.4I91 R140I91-L142 HydrophobicContact CG2-CD1 4.06Å; R140-L142 PolarHBondContact O-N 3.24Å
143K90.5Very high94.4Very high191 Ų19150.5 Ų50.583%0.8326%0.257SS*.THydrogen-bonded Turntrans-89.3-36.8176.7-57.4171.4-176.7169.20112.1N141N141-K143 PolarHBondContact O-N 3.33Å; N141-K143 WeakPolarHBondContact OD1-CA 3.34Å; N141-K143 WeakPolarHBondContact OD1-CB 3.45Å; N141-K143 PolarHBondContact OD1-N 3.34Å
144T91.9Very high94.3Very high77 Ų7751.4 Ų51.447%0.47227%0.265SS..THydrogen-bonded Turntrans-111-12.4-175.7640000114N141 N146N141-T144 WeakPolarHBondContact CB-OG1 3.37Å; N141-T144 PolarHBondContact O-N 2.9Å; N141-T144 PolarHBondContact OD1-N 2.87Å; N141-T144 PolarHBondContact OD1-OG1 3.36Å; T144-N146 PolarHBondContact O-N 2.91Å; T144-N146 VanDerWaalsContact O-N 3.08Å
145F90.2Very high94Very high85 Ų8550.9 Ų50.937%0.37326%0.263SS..  trans60.13.8-171.8-55.1-66.8000116.4P12 R140 N141P12-F145 HydrophobicContact CB-CE1 3.92Å; P12-F145 HydrophobicContact CB-CE2 4.5Å; P12-F145 HydrophobicContact CB-CZ 3.8Å; R140-F145 PolarHBondContact NH1-O 2.97Å; R140-F145 VanDerWaalsContact NH1-O 3.14Å; N141-F145 WeakPolarHBondContact O-CA 3.33Å; N141-F145 PolarHBondContact O-N 3.1Å
146N91.9Very high92.4Very high116 Ų11654.1 Ų54.162%0.6229%0.29SS*.  trans-62.2137.1172.6-72.6-26.6000110.3R140 N141 T144R140-N146 WeakPolarHBondContact CA-O 3.35Å; N141-N146 PolarHBondContact N-O 3.37Å; T144-N146 PolarHBondContact O-N 2.91Å; T144-N146 VanDerWaalsContact O-N 3.08Å
147V93.2Very high90.9Very high62 Ų6256.3 Ų56.338%0.37630%0.3SS..BIsolated β-bridgetrans-113.4125.4-178.9-175.20000109.2N139 R140N139-V147 HydrophobicContact CB-CG1 4.21Å; N139-V147 WeakPolarHBondContact O-CA 3.47Å; R140-V147 HydrophobicContact CB-CG2 4.02Å; R140-V147 HydrophobicContact CG-CG2 3.99Å; R140-V147 VanDerWaalsContact CZ-CG2 3.45Å; R140-V147 VanDerWaalsContact NH1-CG2 3.27Å
148S95.3Very high89.3Confident56 Ų5659.8 Ų59.839%0.39232%0.323SS..  trans-141.3121175.8-174.60000111N139 Q150 T151N139-S148 WeakPolarHBondContact CB-O 3.26Å; N139-S148 PolarHBondContact O-N 3Å; N139-S148 PolarHBondContact OD1-O 3.43Å; S148-Q150 PolarHBondContact O-N 3.47Å; S148-Q150 VanDerWaalsContact OG-CB 3.23Å; S148-Q150 WeakPolarHBondContact OG-CB 3.41Å; S148-Q150 PolarHBondContact OG-N 2.63Å; S148-T151 WeakPolarHBondContact O-CB 3.28Å; S148-T151 PolarHBondContact O-N 2.94Å; S148-T151 VanDerWaalsContact O-N 3.17Å; S148-T151 PolarHBondContact O-OG1 3.39Å
149L93.2Very high87.4Confident20 Ų2069.4 Ų69.411%0.10537%0.367CS..THydrogen-bonded Turntrans-63.9-16.2171.2-66.8176.1000112.3N139 T151 S152 L153 F170 D175 K178N139-L149 WeakPolarHBondContact ND2-CD2 3.34Å; L149-T151 PolarHBondContact O-N 3.07Å; L149-S152 PolarHBondContact O-N 3Å; L149-S152 VanDerWaalsContact O-N 3.07Å; L149-L153 PolarHBondContact O-N 3.09Å; L149-F170 HydrophobicContact CD2-CD1 4.37Å; L149-F170 HydrophobicContact CD2-CE1 3.82Å; L149-F170 HydrophobicContact CD2-CE2 4.14Å; L149-F170 HydrophobicContact CD2-CZ 3.68Å; L149-D175 HydrophobicContact CD1-CB 3.7Å; L149-K178 HydrophobicContact CD1-CD 4.16Å
150Q94.7Very high86.1Confident92 Ų9272.4 Ų72.443%0.4340%0.399SS..Hα-helixtrans-58.5-32173.7-165.961.147.400111.5S148 S152 L153 D154S148-Q150 PolarHBondContact O-N 3.47Å; S148-Q150 VanDerWaalsContact OG-CB 3.23Å; S148-Q150 WeakPolarHBondContact OG-CB 3.41Å; S148-Q150 PolarHBondContact OG-N 2.63Å; Q150-S152 VanDerWaalsContact C-N 3.32Å; Q150-S152 PolarHBondContact O-N 3.28Å; Q150-L153 PolarHBondContact O-N 2.86Å; Q150-L153 VanDerWaalsContact O-N 3.09Å; Q150-D154 PolarHBondContact NE2-OD1 2.81Å; Q150-D154 WeakPolarHBondContact O-CB 3.21Å; Q150-D154 PolarHBondContact O-N 3.32Å
151T95.8Very high85.4Confident23 Ų2380.8 Ų80.814%0.14144%0.436CS..Hα-helixtrans-55.7-46.7173.2-60.70000111.7H119 V137 S148 L149 L153 D154 L155H119-T151 WeakPolarHBondContact O-CG2 3.36Å; V137-T151 HydrophobicContact CG1-CG2 4.06Å; S148-T151 WeakPolarHBondContact O-CB 3.28Å; S148-T151 PolarHBondContact O-N 2.94Å; S148-T151 VanDerWaalsContact O-N 3.17Å; S148-T151 PolarHBondContact O-OG1 3.39Å; L149-T151 PolarHBondContact O-N 3.07Å; T151-L153 VanDerWaalsContact C-N 3.34Å; T151-L153 PolarHBondContact O-N 3.19Å; T151-D154 PolarHBondContact O-N 3.07Å; T151-L155 HydrophobicContact CG2-CD1 4.04Å; T151-L155 WeakPolarHBondContact O-CB 3.26Å; T151-L155 WeakPolarHBondContact O-CG 3.37Å; T151-L155 PolarHBondContact O-N 2.62Å; T151-L155 VanDerWaalsContact O-N 3.13Å
152S95.1Very high85.4Confident0 Ų080 Ų800%043%0.434CS..Hα-helixtrans-66.1-35.6176.2-73.30000113.2N139 L149 Q150 S166 Y183N139-S152 VanDerWaalsContact CG-OG 3.32Å; N139-S152 PolarHBondContact ND2-OG 2.93Å; N139-S152 VanDerWaalsContact OD1-CB 3.31Å; N139-S152 WeakPolarHBondContact OD1-CB 3.33Å; N139-S152 PolarHBondContact OD1-N 3.22Å; N139-S152 VanDerWaalsContact OD1-N 3.14Å; N139-S152 PolarHBondContact OD1-OG 2.7Å; L149-S152 PolarHBondContact O-N 3Å; L149-S152 VanDerWaalsContact O-N 3.07Å; Q150-S152 VanDerWaalsContact C-N 3.32Å; Q150-S152 PolarHBondContact O-N 3.28Å; S152-S166 PolarHBondContact OG-OG 2.8Å; S152-Y183 VanDerWaalsContact CA-OH 3.24Å; S152-Y183 WeakPolarHBondContact CA-OH 3.35Å; S152-Y183 VanDerWaalsContact O-CE2 3.27Å; S152-Y183 WeakPolarHBondContact O-CE2 3.34Å; S152-Y183 PolarHBondContact O-OH 3.45Å
153L92.6Very high85.4Confident65 Ų6580.6 Ų80.634%0.3444%0.436SS..Hα-helixtrans-69.9-39.9178.2-63.2173.8000112.1L149 Q150 T151 K178 I179L149-L153 PolarHBondContact O-N 3.09Å; Q150-L153 PolarHBondContact O-N 2.86Å; Q150-L153 VanDerWaalsContact O-N 3.09Å; T151-L153 VanDerWaalsContact C-N 3.34Å; T151-L153 PolarHBondContact O-N 3.19Å; L153-K178 HydrophobicContact CD2-CB 4.4Å; L153-K178 VanDerWaalsContact CD2-O 3.23Å; L153-K178 WeakPolarHBondContact CD2-O 3.47Å; L153-I179 HydrophobicContact CD2-CG2 4Å; L153-I179 HydrophobicContact CG-CG2 4.45Å
154D93Very high85.6Confident115 Ų11571.9 Ų71.962%0.61540%0.398SS*.Hα-helixtrans-72.9-31.1-178.9-68.8-14.7000112Q150 T151 A156Q150-D154 PolarHBondContact NE2-OD1 2.81Å; Q150-D154 WeakPolarHBondContact O-CB 3.21Å; Q150-D154 PolarHBondContact O-N 3.32Å; T151-D154 PolarHBondContact O-N 3.07Å; D154-A156 PolarHBondContact O-N 3.13Å
155L91Very high85.8Confident12 Ų1268.7 Ų68.76%0.06338%0.378CS..THydrogen-bonded Turntrans-81.737.3175.3-65.2176000112.6D120 K121 L124 V137 T151 Q157D120-L155 VanDerWaalsContact C-CD2 3.5Å; K121-L155 HydrophobicContact CB-CD2 4.05Å; L124-L155 HydrophobicContact CD2-CB 4.35Å; L124-L155 HydrophobicContact CD2-CD2 4.25Å; V137-L155 HydrophobicContact CG1-CD1 3.65Å; V137-L155 HydrophobicContact CG2-CD1 4.32Å; T151-L155 HydrophobicContact CG2-CD1 4.04Å; T151-L155 WeakPolarHBondContact O-CB 3.26Å; T151-L155 WeakPolarHBondContact O-CG 3.37Å; T151-L155 PolarHBondContact O-N 2.62Å; T151-L155 VanDerWaalsContact O-N 3.13Å; L155-Q157 PolarHBondContact O-N 2.96Å
156A63.5Low86.1Confident69 Ų6964.6 Ų64.657%0.5736%0.361SS*.PPolyproline II helixtrans-49.3129.9175.500000111.3D154D154-A156 PolarHBondContact O-N 3.13Å
157Q66.5Low86.3Confident45 Ų4559.2 Ų59.221%0.2133%0.332CS..PPolyproline II helixtrans-93.6141.2-160.2-65.4166.520.200112.4L155 Y164 S182L155-Q157 PolarHBondContact O-N 2.96Å; Q157-Y164 HydrophobicContact CB-CE2 4.36Å; Q157-Y164 HydrophobicContact CG-CD1 3.88Å; Q157-Y164 HydrophobicContact CG-CD2 4.29Å; Q157-Y164 HydrophobicContact CG-CE1 3.7Å; Q157-Y164 HydrophobicContact CG-CE2 4.11Å; Q157-Y164 HydrophobicContact CG-CG 4.14Å; Q157-S182 PolarHBondContact NE2-O 3.5Å; Q157-S182 PolarHBondContact OE1-O 3.49Å
158P63.7Low86.4Confident75 Ų7557.5 Ų57.549%0.48732%0.322SS..PPolyproline II helixtrans-65.4146.5163.527.7-30.6000110G160P158-G160 PolarHBondContact O-N 3.03Å
159E57.5Low86.2Confident208 Ų20856 Ų5697%0.97232%0.316SS*.SBendtrans-52.3129.7166.5-72.9-177.3169.200109.5
160G69.5Low86.2Confident64 Ų6455.2 Ų55.266%0.6631%0.312SS*.  trans-171.7177.2-173.600000112.4P158P158-G160 PolarHBondContact O-N 3.03Å
161K80.8Confident85.8Confident211 Ų21157.6 Ų57.692%0.91732%0.32SS*.SBendtrans-88.7-11.2-178.6-65.5-176.3179-178.70114
162S91.4Very high85.2Confident26 Ų2658.7 Ų58.718%0.18233%0.327CS..  trans-72.4143.1-177.2-560000111.3A132 E133 Y164A132-S162 WeakPolarHBondContact O-CB 3.22Å; A132-S162 PolarHBondContact O-OG 3.39Å; E133-S162 CarbonylContact O-C 3.45Å; E133-S162 WeakPolarHBondContact O-CA 3.37Å; S162-Y164 VanDerWaalsContact O-CD2 3.27Å; S162-Y164 WeakPolarHBondContact O-CD2 3.21Å
163I92.7Very high84.5Confident80 Ų8059.6 Ų59.641%0.4133%0.332SS..EExtended strand (participates in β ladder)trans-87.6133.8171.1-60.6174.1000107.7E133 I134 I135 I165 H184E133-I163 PolarHBondContact O-N 2.88Å; I134-I163 CarbonylContact C-O 3.58Å; I134-I163 WeakPolarHBondContact CA-O 3.31Å; I135-I163 PolarHBondContact N-O 3.24Å; I163-I165 HydrophobicContact CG2-CD1 4.15Å; I163-H184 HydrophobicContact CG2-CB 3.81Å
164Y94.3Very high84Confident8 Ų862.8 Ų62.83%0.03135%0.345CS..EExtended strand (participates in β ladder)trans-117.3129.6-178.4-70.7-101.9000111.8L124 Q128 I135 Q157 S162 H184 G185L124-Y164 HydrophobicContact CD1-CE1 3.84Å; Q128-Y164 PolarHBondContact NE2-OH 2.89Å; I135-Y164 HydrophobicContact CB-CD1 3.8Å; I135-Y164 HydrophobicContact CB-CE1 3.91Å; I135-Y164 HydrophobicContact CB-CG 4.49Å; I135-Y164 HydrophobicContact CD1-CE1 3.86Å; I135-Y164 HydrophobicContact CG1-CE1 4.43Å; I135-Y164 HydrophobicContact CG2-CD1 3.99Å; I135-Y164 HydrophobicContact CG2-CE1 3.99Å; I135-Y164 CarbonylContact O-C 3.52Å; I135-Y164 WeakPolarHBondContact O-CA 3.41Å; Q157-Y164 HydrophobicContact CB-CE2 4.36Å; Q157-Y164 HydrophobicContact CG-CD1 3.88Å; Q157-Y164 HydrophobicContact CG-CD2 4.29Å; Q157-Y164 HydrophobicContact CG-CE1 3.7Å; Q157-Y164 HydrophobicContact CG-CE2 4.11Å; Q157-Y164 HydrophobicContact CG-CG 4.14Å; S162-Y164 VanDerWaalsContact O-CD2 3.27Å; S162-Y164 WeakPolarHBondContact O-CD2 3.21Å; Y164-H184 PolarHBondContact N-ND1 3.31Å; Y164-H184 PolarHBondContact O-N 3.44Å; Y164-G185 PolarHBondContact O-N 2.93Å
165I95.8Very high83.8Confident10 Ų1058.3 Ų58.35%0.05132%0.321CS..EExtended strand (participates in β ladder)trans-114.8128-180-52.3-59.6000108.4I4 L115 I134 I135 G136 V137 I163 E167 G185 L187I4-I165 HydrophobicContact CD1-CG2 4.17Å; L115-I165 HydrophobicContact CD1-CB 4.28Å; L115-I165 HydrophobicContact CD1-CG1 4.17Å; I134-I165 HydrophobicContact CG2-CG1 4Å; I135-I165 PolarHBondContact O-N 3.36Å; G136-I165 CarbonylContact C-O 3.59Å; G136-I165 VanDerWaalsContact CA-O 3.3Å; G136-I165 WeakPolarHBondContact CA-O 3.43Å; V137-I165 PolarHBondContact N-O 3.31Å; I163-I165 HydrophobicContact CG2-CD1 4.15Å; I165-E167 HydrophobicContact CG2-CG 4.35Å; I165-G185 CarbonylContact C-O 3.32Å; I165-G185 WeakPolarHBondContact CA-O 3.44Å; I165-L187 HydrophobicContact CG2-CB 4.18Å
166S96.5Very high83.6Confident0 Ų057.8 Ų57.80%032%0.319CS..EExtended strand (participates in β ladder)trans-93126.3172.5-173.30000109.5N139 S152 F170 G185 I186 L187N139-S166 PolarHBondContact ND2-OG 3.47Å; S152-S166 PolarHBondContact OG-OG 2.8Å; S166-F170 WeakPolarHBondContact O-CE2 3.37Å; S166-F170 VanDerWaalsContact OG-CZ 3.28Å; S166-F170 WeakPolarHBondContact OG-CZ 3.26Å; S166-G185 PolarHBondContact N-O 3.25Å; S166-I186 CarbonylContact O-C 3.46Å; S166-I186 WeakPolarHBondContact O-CA 3.48Å; S166-L187 PolarHBondContact O-N 3.38Å
167E97.2Very high84.6Confident2 Ų257.6 Ų57.61%0.00931%0.306CS..EExtended strand (participates in β ladder)trans-111.8140.4-173.9-49.3-174.7-141.400111.7K68 G136 V137 N139 I165 L187K68-E167 IonicContact NZ-OE2 2.82Å; G136-E167 VanDerWaalsContact CA-OE1 3.3Å; G136-E167 WeakPolarHBondContact CA-OE1 3.32Å; V137-E167 PolarHBondContact O-N 3.43Å; N139-E167 VanDerWaalsContact CB-O 3.32Å; N139-E167 WeakPolarHBondContact CB-O 3.44Å; N139-E167 PolarHBondContact N-O 2.87Å; N139-E167 PolarHBondContact ND2-O 3.14Å; I165-E167 HydrophobicContact CG2-CG 4.35Å; E167-L187 HydrophobicContact CB-CB 4.18Å; E167-L187 HydrophobicContact CG-CB 3.89Å; E167-L187 HydrophobicContact CG-CD1 4.45Å
168S93.5Very high85.5Confident26 Ų2660.5 Ų60.518%0.18232%0.318CS..SBendtrans65.3153.5-178.6-60.40000115.1N139 L187N139-S168 PolarHBondContact ND2-O 2.96Å; S168-L187 PolarHBondContact N-O 3.25Å
169G92.3Very high86.7Confident25 Ų2557 Ų5726%0.25830%0.295SS..  trans95.2-7.2171.500000116.2
170F92.3Very high87.7Confident4 Ų448 Ų482%0.01825%0.253CS..  trans-85.3115.6180-60.7-75.8000112.5L149 S166 D175 V176 I179 I186 V188 T191 L205L149-F170 HydrophobicContact CD2-CD1 4.37Å; L149-F170 HydrophobicContact CD2-CE1 3.82Å; L149-F170 HydrophobicContact CD2-CE2 4.14Å; L149-F170 HydrophobicContact CD2-CZ 3.68Å; S166-F170 WeakPolarHBondContact O-CE2 3.37Å; S166-F170 VanDerWaalsContact OG-CZ 3.28Å; S166-F170 WeakPolarHBondContact OG-CZ 3.26Å; F170-D175 HydrophobicContact CD1-CB 3.86Å; F170-V176 HydrophobicContact CD1-CG2 3.78Å; F170-V176 HydrophobicContact CE1-CG2 4.42Å; F170-I179 HydrophobicContact CE1-CD1 3.97Å; F170-I179 HydrophobicContact CE1-CG1 3.54Å; F170-I179 HydrophobicContact CZ-CD1 3.99Å; F170-I179 HydrophobicContact CZ-CG1 3.7Å; F170-I186 HydrophobicContact CB-CD1 4.37Å; F170-I186 HydrophobicContact CD1-CD1 4.38Å; F170-I186 HydrophobicContact CD1-CG2 4.11Å; F170-I186 HydrophobicContact CD2-CB 3.89Å; F170-I186 HydrophobicContact CD2-CG2 3.96Å; F170-I186 HydrophobicContact CE1-CG2 3.76Å; F170-I186 HydrophobicContact CE2-CB 3.9Å; F170-I186 HydrophobicContact CE2-CG2 3.59Å; F170-I186 HydrophobicContact CG-CB 4.31Å; F170-I186 HydrophobicContact CG-CD1 4.14Å; F170-I186 HydrophobicContact CG-CG2 4.21Å; F170-I186 HydrophobicContact CZ-CB 4.31Å; F170-I186 HydrophobicContact CZ-CG2 3.49Å; F170-I186 VanDerWaalsContact CZ-CG2 3.49Å; F170-V188 HydrophobicContact CB-CG2 4.08Å; F170-V188 HydrophobicContact CD2-CG2 4.48Å; F170-T191 WeakPolarHBondContact O-CB 3.43Å; F170-T191 PolarHBondContact O-OG1 2.9Å; F170-L205 HydrophobicContact CB-CD2 4.5Å
171K87.4Confident88.1Confident141 Ų14150.2 Ų50.261%0.61325%0.246SC*.  trans-116.4-30.3176.5-61.5176.2-175.2173.50112.6D175 K201K171-D175 PolarHBondContact N-OD2 2.65Å; K171-K201 PolarHBondContact O-NZ 2.73Å
172T83.2Confident88.4Confident46 Ų4642.5 Ų42.528%0.28222%0.218SC..SBendtrans-137164.1-170.261.40000111.7Q174 D175T172-Q174 PolarHBondContact O-N 2.88Å; T172-D175 PolarHBondContact N-OD2 3.48Å; T172-D175 WeakPolarHBondContact O-CB 3.41Å; T172-D175 PolarHBondContact O-N 3.49Å; T172-D175 VanDerWaalsContact O-N 3.14Å; T172-D175 PolarHBondContact OG1-N 3.31Å; T172-D175 PolarHBondContact OG1-OD2 2.87Å
173D79.5Confident88.3Confident19 Ų1941.7 Ų41.710%0.10221%0.211CC..Hα-helixtrans-55.4-37.1169.668.3-27.5000112.3D175 V176 E177 E204 A208 R242D173-D175 VanDerWaalsContact C-N 3.27Å; D173-D175 PolarHBondContact O-N 3.37Å; D173-V176 PolarHBondContact O-N 3.23Å; D173-V176 VanDerWaalsContact O-N 3.14Å; D173-E177 PolarHBondContact O-N 3.43Å; D173-E204 HydrophobicContact CB-CG 4.23Å; D173-E204 WeakPolarHBondContact CB-O 3.35Å; D173-A208 HydrophobicContact CB-CB 3.97Å; D173-A208 WeakPolarHBondContact O-CB 3.33Å; D173-R242 IonicContact OD2-NH2 2.77Å; D173-R242 PolarHBondContact OD2-NH2 3.32Å
174Q81.5Confident88.1Confident133 Ų13341.3 Ų41.362%0.62121%0.207SC*.Hα-helixtrans-62.4-29.3176.6-63.7-177.1-300113.9T172 K178T172-Q174 PolarHBondContact O-N 2.88Å; Q174-K178 WeakPolarHBondContact O-CG 3.15Å
175D89.1Confident88Confident21 Ų2140.9 Ų40.911%0.11221%0.206CC..Hα-helixtrans-70.9-40.2175.2-65.8-43000111.2L149 F170 K171 T172 D173 E177 K178L149-D175 HydrophobicContact CD1-CB 3.7Å; F170-D175 HydrophobicContact CD1-CB 3.86Å; K171-D175 PolarHBondContact N-OD2 2.65Å; T172-D175 PolarHBondContact N-OD2 3.48Å; T172-D175 WeakPolarHBondContact O-CB 3.41Å; T172-D175 PolarHBondContact O-N 3.49Å; T172-D175 VanDerWaalsContact O-N 3.14Å; T172-D175 PolarHBondContact OG1-N 3.31Å; T172-D175 PolarHBondContact OG1-OD2 2.87Å; D173-D175 VanDerWaalsContact C-N 3.27Å; D173-D175 PolarHBondContact O-N 3.37Å; D175-E177 VanDerWaalsContact C-N 3.35Å; D175-K178 PolarHBondContact O-N 3.22Å; D175-K178 IonicContact OD1-NZ 2.9Å; D175-K178 PolarHBondContact OD1-NZ 3.24Å
176V88.2Confident88Confident0 Ų040.4 Ų40.40%020%0.204CC..Hα-helixtrans-68.6-36.9176.7-175.10000110.6M1 F170 D173 K178 I179 K180 I186 L205 A208M1-V176 HydrophobicContact CB-CG1 4.46Å; M1-V176 HydrophobicContact CE-CG1 3.96Å; M1-V176 HydrophobicContact CG-CG1 3.84Å; F170-V176 HydrophobicContact CD1-CG2 3.78Å; F170-V176 HydrophobicContact CE1-CG2 4.42Å; D173-V176 PolarHBondContact O-N 3.23Å; D173-V176 VanDerWaalsContact O-N 3.14Å; V176-K178 PolarHBondContact O-N 3.15Å; V176-I179 PolarHBondContact O-N 3.46Å; V176-I179 VanDerWaalsContact O-N 3.16Å; V176-K180 WeakPolarHBondContact O-CB 3.37Å; V176-K180 PolarHBondContact O-N 3.4Å; V176-I186 HydrophobicContact CG1-CD1 4.43Å; V176-I186 HydrophobicContact CG2-CD1 3.57Å; V176-L205 HydrophobicContact CG2-CB 4.32Å; V176-L205 HydrophobicContact CG2-CD2 3.74Å; V176-A208 HydrophobicContact CB-CB 3.52Å; V176-A208 HydrophobicContact CG1-CB 3.7Å; V176-A208 HydrophobicContact CG2-CB 4.46Å
177E84Confident88Confident65 Ų6540.5 Ų40.530%0.30420%0.204SC..Hα-helixtrans-53.7-37.2176.5-172.365.2-161.900112.8D173 D175 I179 K180 A211D173-E177 PolarHBondContact O-N 3.43Å; D175-E177 VanDerWaalsContact C-N 3.35Å; E177-I179 VanDerWaalsContact C-N 3.32Å; E177-I179 PolarHBondContact O-N 2.83Å; E177-K180 WeakPolarHBondContact OE1-CE 3.24Å; E177-K180 IonicContact OE1-NZ 2.73Å; E177-K180 PolarHBondContact OE1-NZ 3.18Å; E177-K180 VanDerWaalsContact OE2-CE 3.22Å; E177-K180 WeakPolarHBondContact OE2-CE 3.4Å; E177-K180 IonicContact OE2-NZ 3.85Å; E177-K180 PolarHBondContact OE2-NZ 3.49Å; E177-A211 WeakPolarHBondContact OE2-CB 3.44Å
178K86.1Confident87.9Confident106 Ų10640.6 Ų40.646%0.46121%0.205SC..Hα-helixtrans-64.6-34.6-178-65.8163.4-169.1161.30112.9L149 L153 Q174 D175 V176L149-K178 HydrophobicContact CD1-CD 4.16Å; L153-K178 HydrophobicContact CD2-CB 4.4Å; L153-K178 VanDerWaalsContact CD2-O 3.23Å; L153-K178 WeakPolarHBondContact CD2-O 3.47Å; Q174-K178 WeakPolarHBondContact O-CG 3.15Å; D175-K178 PolarHBondContact O-N 3.22Å; D175-K178 IonicContact OD1-NZ 2.9Å; D175-K178 PolarHBondContact OD1-NZ 3.24Å; V176-K178 PolarHBondContact O-N 3.15Å
179I87.3Confident87.9Confident1 Ų139.7 Ų39.71%0.00520%0.2CC..Hα-helixtrans-111.5-11.5-169.359.283.8000113.6M1 L153 F170 V176 E177 H181 S182 Y183 I186M1-I179 HydrophobicContact CE-CD1 3.69Å; L153-I179 HydrophobicContact CD2-CG2 4Å; L153-I179 HydrophobicContact CG-CG2 4.45Å; F170-I179 HydrophobicContact CE1-CD1 3.97Å; F170-I179 HydrophobicContact CE1-CG1 3.54Å; F170-I179 HydrophobicContact CZ-CD1 3.99Å; F170-I179 HydrophobicContact CZ-CG1 3.7Å; V176-I179 PolarHBondContact O-N 3.46Å; V176-I179 VanDerWaalsContact O-N 3.16Å; E177-I179 VanDerWaalsContact C-N 3.32Å; E177-I179 PolarHBondContact O-N 2.83Å; I179-H181 PolarHBondContact O-N 2.81Å; I179-S182 PolarHBondContact O-N 2.95Å; I179-Y183 HydrophobicContact CB-CD2 3.82Å; I179-Y183 HydrophobicContact CB-CE2 4.42Å; I179-Y183 HydrophobicContact CD1-CG 4.41Å; I179-Y183 HydrophobicContact CG2-CD2 4.49Å; I179-Y183 PolarHBondContact O-N 3.02Å; I179-I186 HydrophobicContact CD1-CG2 3.67Å
180K79.8Confident87.8Confident21 Ų2140.8 Ų40.89%0.09120%0.198CC..THydrogen-bonded Turntrans-59.2-20.6-170.869.8177.9-178.7-177.40115.3M1 V176 E177 A208M1-K180 HydrophobicContact CE-CB 3.76Å; V176-K180 WeakPolarHBondContact O-CB 3.37Å; V176-K180 PolarHBondContact O-N 3.4Å; E177-K180 WeakPolarHBondContact OE1-CE 3.24Å; E177-K180 IonicContact OE1-NZ 2.73Å; E177-K180 PolarHBondContact OE1-NZ 3.18Å; E177-K180 VanDerWaalsContact OE2-CE 3.22Å; E177-K180 WeakPolarHBondContact OE2-CE 3.4Å; E177-K180 IonicContact OE2-NZ 3.85Å; E177-K180 PolarHBondContact OE2-NZ 3.49Å; K180-A208 PolarHBondContact NZ-O 3.39Å
181H78.3Confident87.7Confident110 Ų11042 Ų4251%0.50921%0.206SC..THydrogen-bonded Turntrans-80.4-19.1178.4-62.5-67.4000113.2I179 H377I179-H181 PolarHBondContact O-N 2.81Å; H181-H377 AromaticContact CE1-CE1 3.25Å; H181-H377 PolarHBondContact CE1-CE1 2.98Å; H181-H377 AromaticContact CE1-NE2 3.19Å; H181-H377 PolarHBondContact CE1-NE2 3.34Å; H181-H377 AromaticContact ND1-CE1 3.59Å; H181-H377 AromaticContact ND1-NE2 3.13Å; H181-H377 PolarHBondContact ND1-NE2 3.5Å; H181-H377 VanDerWaalsContact ND1-NE2 3.13Å
182S85.9Confident87.9Confident49 Ų4935.3 Ų35.334%0.34318%0.177SC..THydrogen-bonded Turntrans-117.7-10.3-176.2-52.90000112.4Q157 I179Q157-S182 PolarHBondContact NE2-O 3.5Å; Q157-S182 PolarHBondContact OE1-O 3.49Å; I179-S182 PolarHBondContact O-N 2.95Å
183Y89.3Confident88.1Confident8 Ų833.6 Ų33.63%0.03117%0.166CC..  trans-127.8144.4-176.4-70-96.6000111.6M1 V137 S152 I179M1-Y183 WeakPolarHBondContact CE-O 3.36Å; V137-Y183 HydrophobicContact CB-CE1 3.78Å; V137-Y183 HydrophobicContact CG2-CE1 3.7Å; V137-Y183 WeakPolarHBondContact CG2-OH 3.28Å; S152-Y183 VanDerWaalsContact CA-OH 3.24Å; S152-Y183 WeakPolarHBondContact CA-OH 3.35Å; S152-Y183 VanDerWaalsContact O-CE2 3.27Å; S152-Y183 WeakPolarHBondContact O-CE2 3.34Å; S152-Y183 PolarHBondContact O-OH 3.45Å; I179-Y183 HydrophobicContact CB-CD2 3.82Å; I179-Y183 HydrophobicContact CB-CE2 4.42Å; I179-Y183 HydrophobicContact CD1-CG 4.41Å; I179-Y183 HydrophobicContact CG2-CD2 4.49Å; I179-Y183 PolarHBondContact O-N 3.02Å
184H88.7Confident88.4Confident72 Ų7239.5 Ų39.533%0.33319%0.186SC..SBendtrans-89-30.5-178.4-62.382000111.8H2 I163 Y164H2-H184 PolarHBondContact CD2-O 3.41Å; H2-H184 PolarHBondContact N-O 2.87Å; I163-H184 HydrophobicContact CG2-CB 3.81Å; Y164-H184 PolarHBondContact N-ND1 3.31Å; Y164-H184 PolarHBondContact O-N 3.44Å
185G91.7Very high88.4Confident0 Ų034.2 Ų34.20%017%0.165CC..EExtended strand (participates in β ladder)trans-145.8168.3-179.600000113.7M1 H2 Y164 I165 S166M1-G185 WeakPolarHBondContact SD-CA 3.42Å; H2-G185 CarbonylContact O-C 3.52Å; H2-G185 WeakPolarHBondContact O-CA 3.48Å; Y164-G185 PolarHBondContact O-N 2.93Å; I165-G185 CarbonylContact C-O 3.32Å; I165-G185 WeakPolarHBondContact CA-O 3.44Å; S166-G185 PolarHBondContact N-O 3.25Å
186I95.5Very high87.9Confident0 Ų043.3 Ų43.30%020%0.204CC..EExtended strand (participates in β ladder)trans-127.2144.5170.758.6176.7000110.5M1 H2 V3 I4 S166 F170 V176 I179 V188 L205M1-I186 HydrophobicContact CG-CD1 4.47Å; M1-I186 HydrophobicContact CG-CG1 4.2Å; M1-I186 HydrophobicContact CG-CG2 4.43Å; M1-I186 HydrophobicContact SD-CG2 3.89Å; H2-I186 PolarHBondContact O-N 2.85Å; V3-I186 HydrophobicContact CG2-CD1 4.2Å; V3-I186 HydrophobicContact CG2-CG1 4.05Å; I4-I186 PolarHBondContact N-O 3.08Å; S166-I186 CarbonylContact O-C 3.46Å; S166-I186 WeakPolarHBondContact O-CA 3.48Å; F170-I186 HydrophobicContact CB-CD1 4.37Å; F170-I186 HydrophobicContact CD1-CD1 4.38Å; F170-I186 HydrophobicContact CD1-CG2 4.11Å; F170-I186 HydrophobicContact CD2-CB 3.89Å; F170-I186 HydrophobicContact CD2-CG2 3.96Å; F170-I186 HydrophobicContact CE1-CG2 3.76Å; F170-I186 HydrophobicContact CE2-CB 3.9Å; F170-I186 HydrophobicContact CE2-CG2 3.59Å; F170-I186 HydrophobicContact CG-CB 4.31Å; F170-I186 HydrophobicContact CG-CD1 4.14Å; F170-I186 HydrophobicContact CG-CG2 4.21Å; F170-I186 HydrophobicContact CZ-CB 4.31Å; F170-I186 HydrophobicContact CZ-CG2 3.49Å; F170-I186 VanDerWaalsContact CZ-CG2 3.49Å; V176-I186 HydrophobicContact CG1-CD1 4.43Å; V176-I186 HydrophobicContact CG2-CD1 3.57Å; I179-I186 HydrophobicContact CD1-CG2 3.67Å; I186-V188 HydrophobicContact CB-CG2 4.2Å; I186-V188 HydrophobicContact CD1-CG2 3.6Å; I186-V188 HydrophobicContact CG1-CG2 3.74Å; I186-L205 HydrophobicContact CD1-CB 4.26Å
187L97.7Very high87.3Confident2 Ų245.8 Ų45.81%0.0122%0.219CC..EExtended strand (participates in β ladder)trans-104.9120169.2-170.5159.8000109.7I4 E6 L66 L115 I165 S166 E167 S168I4-L187 HydrophobicContact CB-CB 4.21Å; I4-L187 HydrophobicContact CB-CG 4.1Å; I4-L187 HydrophobicContact CG2-CD1 4.16Å; I4-L187 HydrophobicContact CG2-CG 4.05Å; E6-L187 HydrophobicContact CB-CD2 3.83Å; E6-L187 HydrophobicContact CG-CD2 4.3Å; L66-L187 HydrophobicContact CD2-CD1 4.03Å; L115-L187 HydrophobicContact CD2-CD1 4.36Å; I165-L187 HydrophobicContact CG2-CB 4.18Å; S166-L187 PolarHBondContact O-N 3.38Å; E167-L187 HydrophobicContact CB-CB 4.18Å; E167-L187 HydrophobicContact CG-CB 3.89Å; E167-L187 HydrophobicContact CG-CD1 4.45Å; S168-L187 PolarHBondContact N-O 3.25Å
188V95.4Very high87Confident4 Ų443.5 Ų43.52%0.02421%0.21CC..EExtended strand (participates in β ladder)trans-125.3112.3-170.4-170.10000110.4V3 I4 E6 F170 I186 T191 L192 L205V3-V188 HydrophobicContact CG1-CG2 4.37Å; I4-V188 PolarHBondContact O-N 3.48Å; E6-V188 PolarHBondContact N-O 3.02Å; F170-V188 HydrophobicContact CB-CG2 4.08Å; F170-V188 HydrophobicContact CD2-CG2 4.48Å; I186-V188 HydrophobicContact CB-CG2 4.2Å; I186-V188 HydrophobicContact CD1-CG2 3.6Å; I186-V188 HydrophobicContact CG1-CG2 3.74Å; V188-T191 HydrophobicContact CG1-CG2 4.45Å; V188-L192 HydrophobicContact CB-CD1 3.95Å; V188-L192 HydrophobicContact CB-CG 4.14Å; V188-L192 HydrophobicContact CG1-CD1 4.22Å; V188-L192 HydrophobicContact CG1-CG 3.84Å; V188-L205 HydrophobicContact CG1-CD1 4.14Å; V188-L205 HydrophobicContact CG2-CD1 4.17Å
189G93.1Very high86.4Confident7 Ų739.9 Ų39.97%0.07220%0.198CC..  trans-100.9-85.6175.800000113.4E6 T191 L192 M193E6-G189 WeakPolarHBondContact OE2-CA 3.16Å; G189-T191 VanDerWaalsContact C-N 3.25Å; G189-T191 PolarHBondContact O-N 2.81Å; G189-T191 VanDerWaalsContact O-N 3.09Å; G189-L192 PolarHBondContact O-N 3.21Å; G189-M193 PolarHBondContact O-N 3.03Å
190E90.1Very high85.5Confident48 Ų4840.1 Ų40.122%0.22420%0.2CC..Hα-helixtrans-51.5-42.3-168.7-177.8175.1-172.400113.3L192 M193 R194E190-L192 PolarHBondContact O-N 2.82Å; E190-M193 PolarHBondContact O-N 2.9Å; E190-R194 HydrophobicContact CG-CG 4.4Å; E190-R194 WeakPolarHBondContact O-CB 3.48Å; E190-R194 VanDerWaalsContact O-CG 3.29Å; E190-R194 WeakPolarHBondContact O-CG 3.5Å; E190-R194 PolarHBondContact O-N 3.49Å; E190-R194 IonicContact OE1-CZ 2.62Å; E190-R194 IonicContact OE1-NE 3.71Å; E190-R194 PolarHBondContact OE1-NE 3.03Å; E190-R194 IonicContact OE1-NH2 3.91Å; E190-R194 PolarHBondContact OE1-NH2 2.86Å
191T90.2Very high85.5Confident30 Ų3041.2 Ų41.218%0.18421%0.205CC..Hα-helixtrans-61.8-41.4179-56.80000112.4F170 V188 G189 A195 K201F170-T191 WeakPolarHBondContact O-CB 3.43Å; F170-T191 PolarHBondContact O-OG1 2.9Å; V188-T191 HydrophobicContact CG1-CG2 4.45Å; G189-T191 VanDerWaalsContact C-N 3.25Å; G189-T191 PolarHBondContact O-N 2.81Å; G189-T191 VanDerWaalsContact O-N 3.09Å; T191-A195 PolarHBondContact O-N 3.12Å; T191-K201 HydrophobicContact CG2-CD 3.85Å; T191-K201 HydrophobicContact CG2-CG 4.07Å
192L90.7Very high85.6Confident0 Ų036 Ų360%018%0.18CC..Hα-helixtrans-76.9-39.4178.2-73.9179.8000111.9V3 Y30 V188 G189 E190 R194 A195 K201 V202 L205V3-L192 HydrophobicContact CG1-CD1 4.22Å; Y30-L192 HydrophobicContact CE1-CB 3.77Å; Y30-L192 HydrophobicContact CE1-CD1 4.3Å; Y30-L192 HydrophobicContact CE1-CG 4.48Å; Y30-L192 VanDerWaalsContact OH-CB 3.31Å; Y30-L192 WeakPolarHBondContact OH-CB 3.43Å; V188-L192 HydrophobicContact CB-CD1 3.95Å; V188-L192 HydrophobicContact CB-CG 4.14Å; V188-L192 HydrophobicContact CG1-CD1 4.22Å; V188-L192 HydrophobicContact CG1-CG 3.84Å; G189-L192 PolarHBondContact O-N 3.21Å; E190-L192 PolarHBondContact O-N 2.82Å; L192-R194 PolarHBondContact O-N 2.68Å; L192-A195 WeakPolarHBondContact O-CB 3.11Å; L192-A195 PolarHBondContact O-N 2.76Å; L192-K201 HydrophobicContact CD2-CB 3.97Å; L192-K201 HydrophobicContact CD2-CG 3.69Å; L192-V202 HydrophobicContact CD1-CG2 4.2Å; L192-V202 HydrophobicContact CD2-CG2 3.68Å; L192-L205 HydrophobicContact CD2-CD1 4.5Å
193M89.3Confident84.9Confident10 Ų1034.6 Ų34.65%0.04917%0.172CC..Hα-helixtrans-61.1-27.4175.4-72.6-63.5-56.300113.3K8 I17 N18 V21 Q26 Y30 G189 E190K8-M193 WeakPolarHBondContact O-CE 3.4Å; I17-M193 HydrophobicContact CG2-CB 4.2Å; N18-M193 HydrophobicContact CB-CE 4.29Å; V21-M193 HydrophobicContact CB-CE 4.12Å; V21-M193 HydrophobicContact CG1-CE 4.11Å; V21-M193 HydrophobicContact CG2-CE 3.85Å; Q26-M193 HydrophobicContact CG-SD 4.3Å; Y30-M193 PolarHBondContact OH-N 3.19Å; G189-M193 PolarHBondContact O-N 3.03Å; E190-M193 PolarHBondContact O-N 2.9Å
194R85.5Confident84.1Confident142 Ų14236 Ų3654%0.53618%0.179SC..THydrogen-bonded Turntrans-94.7-6.3176.7-66.2-178.3-176.1-73.20.8113.4I17 E190 L192 K196I17-R194 HydrophobicContact CG2-CG 4.47Å; E190-R194 HydrophobicContact CG-CG 4.4Å; E190-R194 WeakPolarHBondContact O-CB 3.48Å; E190-R194 VanDerWaalsContact O-CG 3.29Å; E190-R194 WeakPolarHBondContact O-CG 3.5Å; E190-R194 PolarHBondContact O-N 3.49Å; E190-R194 IonicContact OE1-CZ 2.62Å; E190-R194 IonicContact OE1-NE 3.71Å; E190-R194 PolarHBondContact OE1-NE 3.03Å; E190-R194 IonicContact OE1-NH2 3.91Å; E190-R194 PolarHBondContact OE1-NH2 2.86Å; L192-R194 PolarHBondContact O-N 2.68Å; R194-K196 PolarHBondContact O-N 2.9Å
195A81.2Confident83.7Confident22 Ų2232.6 Ų32.618%0.18216%0.163CC..  trans-73.4126-176.900000110.7T191 L192 T197 K201T191-A195 PolarHBondContact O-N 3.12Å; L192-A195 WeakPolarHBondContact O-CB 3.11Å; L192-A195 PolarHBondContact O-N 2.76Å; A195-T197 PolarHBondContact O-N 3.41Å; A195-K201 HydrophobicContact CB-CB 3.87Å; A195-K201 HydrophobicContact CB-CG 4.23Å
196K77.9Confident82.9Confident212 Ų21235.3 Ų35.392%0.92218%0.176SC*.SBendtrans-62.8-28.8172.6-65.6-176.7-179.4179.90112.4R194R194-K196 PolarHBondContact O-N 2.9Å
197T75.9Confident81.4Confident53 Ų5335.4 Ų35.433%0.32518%0.177SC..SBendtrans-136.291179.1-540000108A195 S199 A200 K201A195-T197 PolarHBondContact O-N 3.41Å; T197-S199 WeakPolarHBondContact CG2-OG 3.49Å; T197-S199 PolarHBondContact O-N 3.39Å; T197-A200 HydrophobicContact CG2-CB 3.87Å; T197-A200 PolarHBondContact O-N 3.35Å; T197-A200 VanDerWaalsContact O-N 3.15Å; T197-K201 PolarHBondContact O-N 3.18Å
198P78.2Confident79.5Confident16 Ų1635.4 Ų35.410%0.10418%0.177CC..Hα-helixtrans-53.6-38.4-179.9-30.537.6000113.3Y30 A200 K201 V202Y30-P198 HydrophobicContact CD1-CB 3.87Å; Y30-P198 HydrophobicContact CE1-CB 3.97Å; Y30-P198 HydrophobicContact CE1-CG 4.33Å; P198-A200 PolarHBondContact O-N 2.85Å; P198-K201 PolarHBondContact O-N 3.09Å; P198-V202 WeakPolarHBondContact O-CG2 3.03Å; P198-V202 PolarHBondContact O-N 2.86Å
199S72.7Confident77.5Confident31 Ų3135.7 Ų35.722%0.21718%0.179CC..Hα-helixtrans-58.9-45.8176.555.40000113.7A33 T197 K201 V202 A203A33-S199 VanDerWaalsContact CB-CA 3.45Å; T197-S199 WeakPolarHBondContact CG2-OG 3.49Å; T197-S199 PolarHBondContact O-N 3.39Å; S199-K201 PolarHBondContact O-N 3.27Å; S199-V202 PolarHBondContact O-N 2.73Å; S199-A203 VanDerWaalsContact O-CB 3.27Å; S199-A203 WeakPolarHBondContact O-CB 3.4Å; S199-A203 PolarHBondContact O-N 2.87Å
200A69.3Low75.6Confident5 Ų537.3 Ų37.34%0.04119%0.185CC..Hα-helixtrans-64.9-40.2176.900000111.6T197 P198 A203 E204 D238T197-A200 HydrophobicContact CG2-CB 3.87Å; T197-A200 PolarHBondContact O-N 3.35Å; T197-A200 VanDerWaalsContact O-N 3.15Å; P198-A200 PolarHBondContact O-N 2.85Å; A200-A203 PolarHBondContact O-N 3.27Å; A200-E204 WeakPolarHBondContact O-CB 3.44Å; A200-E204 PolarHBondContact O-N 3.25Å; A200-D238 WeakPolarHBondContact CB-OD2 3.49Å
201K79Confident74Confident44 Ų4436 Ų3619%0.19118%0.183CC..Hα-helixtrans-70.3-39.1178.5-177.356.365.4176.60112.6K171 T191 L192 A195 T197 P198 S199 E204 L205K171-K201 PolarHBondContact O-NZ 2.73Å; T191-K201 HydrophobicContact CG2-CD 3.85Å; T191-K201 HydrophobicContact CG2-CG 4.07Å; L192-K201 HydrophobicContact CD2-CB 3.97Å; L192-K201 HydrophobicContact CD2-CG 3.69Å; A195-K201 HydrophobicContact CB-CB 3.87Å; A195-K201 HydrophobicContact CB-CG 4.23Å; T197-K201 PolarHBondContact O-N 3.18Å; P198-K201 PolarHBondContact O-N 3.09Å; S199-K201 PolarHBondContact O-N 3.27Å; K201-E204 WeakPolarHBondContact CE-OE2 3.35Å; K201-E204 IonicContact NZ-OE1 2.75Å; K201-E204 PolarHBondContact NZ-OE1 2.82Å; K201-E204 IonicContact NZ-OE2 3.23Å; K201-E204 PolarHBondContact NZ-OE2 2.7Å; K201-E204 PolarHBondContact O-N 2.71Å; K201-L205 HydrophobicContact CD-CD1 4.23Å; K201-L205 HydrophobicContact CD-CG 4.21Å; K201-L205 HydrophobicContact CG-CD1 4.16Å; K201-L205 VanDerWaalsContact O-CG 3.22Å; K201-L205 WeakPolarHBondContact O-CG 3.35Å; K201-L205 PolarHBondContact O-N 3.14Å
202V79.8Confident72.7Confident0 Ų035.7 Ų35.70%019%0.185CC..Hα-helixtrans-63.6-44.9173173.10000109.9V3 A33 V35 L192 P198 S199 E204 L205 Q206V3-V202 HydrophobicContact CB-CG1 4.43Å; A33-V202 HydrophobicContact CB-CB 3.97Å; A33-V202 HydrophobicContact CB-CG1 4.4Å; A33-V202 HydrophobicContact CB-CG2 3.84Å; A33-V202 VanDerWaalsContact O-CG1 3.26Å; A33-V202 WeakPolarHBondContact O-CG1 3.29Å; V35-V202 HydrophobicContact CG1-CG1 4.41Å; V35-V202 HydrophobicContact CG1-CG2 3.87Å; L192-V202 HydrophobicContact CD1-CG2 4.2Å; L192-V202 HydrophobicContact CD2-CG2 3.68Å; P198-V202 WeakPolarHBondContact O-CG2 3.03Å; P198-V202 PolarHBondContact O-N 2.86Å; S199-V202 PolarHBondContact O-N 2.73Å; V202-E204 PolarHBondContact O-N 3.49Å; V202-L205 PolarHBondContact O-N 2.89Å; V202-Q206 HydrophobicContact CG1-CG 4.22Å; V202-Q206 WeakPolarHBondContact O-CB 3.23Å; V202-Q206 WeakPolarHBondContact O-CG 3.24Å; V202-Q206 PolarHBondContact O-N 3.18Å
203A71.7Confident72.1Confident20 Ų2037 Ų3717%0.16520%0.196CC..Hα-helixtrans-59.7-43.5176.100000112.2S199 A200 Q206 A207 L235S199-A203 VanDerWaalsContact O-CB 3.27Å; S199-A203 WeakPolarHBondContact O-CB 3.4Å; S199-A203 PolarHBondContact O-N 2.87Å; A200-A203 PolarHBondContact O-N 3.27Å; A203-Q206 PolarHBondContact O-N 2.85Å; A203-A207 WeakPolarHBondContact O-CB 3.49Å; A203-A207 PolarHBondContact O-N 3.04Å; A203-L235 HydrophobicContact CB-CD2 4.4Å
204E73.8Confident72Confident38 Ų3840.3 Ų40.318%0.17822%0.217CC..Hα-helixtrans-58.4-50.1173.8179.9-166145.900111.7D173 A200 K201 V202 Q206 A207 A208D173-E204 HydrophobicContact CB-CG 4.23Å; D173-E204 WeakPolarHBondContact CB-O 3.35Å; A200-E204 WeakPolarHBondContact O-CB 3.44Å; A200-E204 PolarHBondContact O-N 3.25Å; K201-E204 WeakPolarHBondContact CE-OE2 3.35Å; K201-E204 IonicContact NZ-OE1 2.75Å; K201-E204 PolarHBondContact NZ-OE1 2.82Å; K201-E204 IonicContact NZ-OE2 3.23Å; K201-E204 PolarHBondContact NZ-OE2 2.7Å; K201-E204 PolarHBondContact O-N 2.71Å; V202-E204 PolarHBondContact O-N 3.49Å; E204-Q206 VanDerWaalsContact C-N 3.31Å; E204-Q206 PolarHBondContact O-N 3.25Å; E204-A207 WeakPolarHBondContact O-CB 3.49Å; E204-A207 PolarHBondContact O-N 2.86Å; E204-A207 VanDerWaalsContact O-N 3.12Å; E204-A208 PolarHBondContact O-N 2.96Å
205L78.5Confident72.3Confident0 Ų037 Ų370%021%0.205CC..Hα-helixtrans-65.3-35.5-179.2-67.4169.5000112F170 V176 I186 V188 L192 K201 V202 A208F170-L205 HydrophobicContact CB-CD2 4.5Å; V176-L205 HydrophobicContact CG2-CB 4.32Å; V176-L205 HydrophobicContact CG2-CD2 3.74Å; I186-L205 HydrophobicContact CD1-CB 4.26Å; V188-L205 HydrophobicContact CG1-CD1 4.14Å; V188-L205 HydrophobicContact CG2-CD1 4.17Å; L192-L205 HydrophobicContact CD2-CD1 4.5Å; K201-L205 HydrophobicContact CD-CD1 4.23Å; K201-L205 HydrophobicContact CD-CG 4.21Å; K201-L205 HydrophobicContact CG-CD1 4.16Å; K201-L205 VanDerWaalsContact O-CG 3.22Å; K201-L205 WeakPolarHBondContact O-CG 3.35Å; K201-L205 PolarHBondContact O-N 3.14Å; V202-L205 PolarHBondContact O-N 2.89Å; L205-A208 WeakPolarHBondContact O-CB 3.32Å
206Q75.4Confident72.7Confident58 Ų5837.3 Ų37.327%0.27120%0.203SC..Hα-helixtrans-73.4-31.8173.2-72.6176-23.200112V3 G34 V202 A203 E204 A208 V209V3-Q206 HydrophobicContact CG2-CG 3.73Å; G34-Q206 PolarHBondContact O-NE2 2.74Å; G34-Q206 VanDerWaalsContact O-NE2 3.16Å; V202-Q206 HydrophobicContact CG1-CG 4.22Å; V202-Q206 WeakPolarHBondContact O-CB 3.23Å; V202-Q206 WeakPolarHBondContact O-CG 3.24Å; V202-Q206 PolarHBondContact O-N 3.18Å; A203-Q206 PolarHBondContact O-N 2.85Å; E204-Q206 VanDerWaalsContact C-N 3.31Å; E204-Q206 PolarHBondContact O-N 3.25Å; Q206-A208 PolarHBondContact O-N 3.32Å; Q206-V209 WeakPolarHBondContact O-CB 3.32Å; Q206-V209 PolarHBondContact O-N 3.14Å
207A64.9Low73.3Confident2 Ų229.7 Ų29.72%0.01719%0.185CC..Hα-helixtrans-66.8-18.2178.200000113.3A203 E204 V209 L210 A211 L239A203-A207 WeakPolarHBondContact O-CB 3.49Å; A203-A207 PolarHBondContact O-N 3.04Å; E204-A207 WeakPolarHBondContact O-CB 3.49Å; E204-A207 PolarHBondContact O-N 2.86Å; E204-A207 VanDerWaalsContact O-N 3.12Å; A207-V209 PolarHBondContact O-N 3.34Å; A207-L210 HydrophobicContact CB-CB 4.42Å; A207-L210 HydrophobicContact CB-CD1 3.96Å; A207-L210 CarbonylContact O-C 3.52Å; A207-L210 VanDerWaalsContact O-C 3.32Å; A207-L210 VanDerWaalsContact O-CA 3.24Å; A207-L210 WeakPolarHBondContact O-CA 3.4Å; A207-L210 VanDerWaalsContact O-CB 3.23Å; A207-L210 WeakPolarHBondContact O-CB 3.23Å; A207-L210 PolarHBondContact O-N 3.33Å; A207-A211 PolarHBondContact O-N 3.38Å; A207-A211 VanDerWaalsContact O-N 3.14Å; A207-L239 HydrophobicContact CB-CD2 4.34Å
208A57Low74.1Confident1 Ų128.2 Ų28.21%0.00817%0.174CC..THydrogen-bonded Turntrans-55.3-29.116400000112.6D173 V176 K180 E204 L205 Q206 A211D173-A208 HydrophobicContact CB-CB 3.97Å; D173-A208 WeakPolarHBondContact O-CB 3.33Å; V176-A208 HydrophobicContact CB-CB 3.52Å; V176-A208 HydrophobicContact CG1-CB 3.7Å; V176-A208 HydrophobicContact CG2-CB 4.46Å; K180-A208 PolarHBondContact NZ-O 3.39Å; E204-A208 PolarHBondContact O-N 2.96Å; L205-A208 WeakPolarHBondContact O-CB 3.32Å; Q206-A208 PolarHBondContact O-N 3.32Å; A208-A211 WeakPolarHBondContact O-CB 3.37Å; A208-A211 PolarHBondContact O-N 3.3Å
209V53.4Low74.8Confident11 Ų1129 Ų297%0.06718%0.179CC..THydrogen-bonded Turntrans-77.8-31.9171.5-175.60000112.2M1 Q206 A207 A211 S373 H377M1-V209 HydrophobicContact CB-CG2 3.22Å; M1-V209 HydrophobicContact CG-CG2 4.48Å; Q206-V209 WeakPolarHBondContact O-CB 3.32Å; Q206-V209 PolarHBondContact O-N 3.14Å; A207-V209 PolarHBondContact O-N 3.34Å; V209-A211 PolarHBondContact O-N 3.03Å; V209-A211 VanDerWaalsContact O-N 3.09Å; V209-S373 VanDerWaalsContact CG1-O 3.29Å; V209-S373 WeakPolarHBondContact CG1-O 3.31Å; V209-H377 HydrophobicContact CG1-CB 4.43Å
210L53.7Low75.9Confident40 Ų4028.1 Ų28.121%0.20917%0.171CC..THydrogen-bonded Turntrans-65.4-1.2167.1-59.1169.7000112.5A207 G212 A213 L216 I376A207-L210 HydrophobicContact CB-CB 4.42Å; A207-L210 HydrophobicContact CB-CD1 3.96Å; A207-L210 CarbonylContact O-C 3.52Å; A207-L210 VanDerWaalsContact O-C 3.32Å; A207-L210 VanDerWaalsContact O-CA 3.24Å; A207-L210 WeakPolarHBondContact O-CA 3.4Å; A207-L210 VanDerWaalsContact O-CB 3.23Å; A207-L210 WeakPolarHBondContact O-CB 3.23Å; A207-L210 PolarHBondContact O-N 3.33Å; L210-G212 CarbonylContact O-C 3.54Å; L210-G212 PolarHBondContact O-N 2.93Å; L210-A213 WeakPolarHBondContact O-CA 3.36Å; L210-A213 PolarHBondContact O-N 2.66Å; L210-L216 HydrophobicContact CD1-CD1 3.9Å; L210-L216 HydrophobicContact CD1-CD2 3.56Å; L210-L216 HydrophobicContact CD1-CG 4.37Å; L210-L216 HydrophobicContact CD2-CD2 3.82Å; L210-L216 HydrophobicContact CG-CD2 4.17Å; L210-I376 HydrophobicContact CD2-CG2 4.28Å
211A55.9Low76.9Confident22 Ų2228.6 Ų28.618%0.18218%0.175CC..THydrogen-bonded Turntrans-65.317.4-177.300000116.1E177 A207 A208 V209 K384E177-A211 WeakPolarHBondContact OE2-CB 3.44Å; A207-A211 PolarHBondContact O-N 3.38Å; A207-A211 VanDerWaalsContact O-N 3.14Å; A208-A211 WeakPolarHBondContact O-CB 3.37Å; A208-A211 PolarHBondContact O-N 3.3Å; V209-A211 PolarHBondContact O-N 3.03Å; V209-A211 VanDerWaalsContact O-N 3.09Å; A211-K384 PolarHBondContact O-NZ 2.96Å
212G62.8Low77.4Confident22 Ų2236.2 Ų36.223%0.22721%0.208CC..THydrogen-bonded Turntrans-116.2-19.7154.900000115.4L210 C380L210-G212 CarbonylContact O-C 3.54Å; L210-G212 PolarHBondContact O-N 2.93Å; G212-C380 VanDerWaalsContact C-SG 3.58Å
213A79.2Confident77.6Confident28 Ų2838 Ų3823%0.23122%0.221CC..  trans-76.1123.9174.800000110L210L210-A213 WeakPolarHBondContact O-CA 3.36Å; L210-A213 PolarHBondContact O-N 2.66Å
214T86.7Confident77.7Confident80 Ų8043.5 Ų43.549%0.49126%0.255SS..SBendtrans-88.8-15.6173.647.50000112.3K244T214-K244 PolarHBondContact O-N 3.26Å
215Y91.5Very high77.9Confident73 Ų7347.7 Ų47.729%0.28627%0.269SS..EExtended strand (participates in β ladder)trans-133145-179.9-60.6-84.4000111.3K244 V246 L268 W337 V358Y215-K244 CarbonylContact C-O 3.55Å; Y215-K244 WeakPolarHBondContact CA-O 3.27Å; Y215-K244 HydrophobicContact CD1-CB 3.55Å; Y215-K244 HydrophobicContact CD1-CG 4.46Å; Y215-K244 HydrophobicContact CE1-CB 3.67Å; Y215-K244 HydrophobicContact CE1-CG 4.14Å; Y215-V246 HydrophobicContact CD1-CG2 4Å; Y215-V246 HydrophobicContact CG-CG2 4.44Å; Y215-L268 HydrophobicContact CD1-CD1 4.05Å; Y215-L268 HydrophobicContact CE1-CD1 3.82Å; Y215-W337 AromaticContact CD1-CH2 3.52Å; Y215-W337 HydrophobicContact CD1-CH2 3.52Å; Y215-W337 HydrophobicContact CD1-CZ2 4.34Å; Y215-W337 HydrophobicContact CD1-CZ3 4.36Å; Y215-W337 AromaticContact CD2-CH2 3.64Å; Y215-W337 HydrophobicContact CD2-CH2 3.64Å; Y215-W337 HydrophobicContact CD2-CZ2 4.33Å; Y215-W337 HydrophobicContact CD2-CZ3 4.07Å; Y215-W337 AromaticContact CE1-CH2 3.58Å; Y215-W337 HydrophobicContact CE1-CH2 3.58Å; Y215-W337 AromaticContact CE1-CZ2 3.94Å; Y215-W337 HydrophobicContact CE1-CZ2 3.94Å; Y215-W337 AromaticContact CE2-CH2 3.71Å; Y215-W337 HydrophobicContact CE2-CH2 3.71Å; Y215-W337 AromaticContact CE2-CZ2 3.94Å; Y215-W337 HydrophobicContact CE2-CZ2 3.94Å; Y215-W337 HydrophobicContact CE2-CZ3 4.47Å; Y215-W337 AromaticContact CG-CH2 3.56Å; Y215-W337 HydrophobicContact CG-CH2 3.56Å; Y215-W337 HydrophobicContact CG-CZ3 4.02Å; Y215-W337 AromaticContact CZ-CH2 3.68Å; Y215-W337 AromaticContact CZ-CZ2 3.72Å; Y215-V358 HydrophobicContact CD2-CG1 3.9Å; Y215-V358 HydrophobicContact CD2-CG2 4.38Å; Y215-V358 HydrophobicContact CE2-CG1 4.09Å; Y215-V358 HydrophobicContact CE2-CG2 3.72Å
216L88.8Confident78.3Confident27 Ų2753 Ų5314%0.14129%0.294CS..EExtended strand (participates in β ladder)trans-119.5121.4171.7-61.8178.3000110.4L210 F218 L239 I243 K244 V246L210-L216 HydrophobicContact CD1-CD1 3.9Å; L210-L216 HydrophobicContact CD1-CD2 3.56Å; L210-L216 HydrophobicContact CD1-CG 4.37Å; L210-L216 HydrophobicContact CD2-CD2 3.82Å; L210-L216 HydrophobicContact CG-CD2 4.17Å; L216-F218 HydrophobicContact CB-CE2 3.87Å; L216-F218 HydrophobicContact CB-CZ 3.94Å; L216-F218 HydrophobicContact CD1-CZ 4.45Å; L216-L239 HydrophobicContact CD1-CD1 3.68Å; L216-L239 HydrophobicContact CD1-CD2 4.07Å; L216-I243 HydrophobicContact CD1-CG2 3.81Å; L216-I243 HydrophobicContact CG-CG2 3.72Å; L216-K244 PolarHBondContact N-O 3.3Å; L216-V246 PolarHBondContact O-N 3.08Å
217G91.3Very high78.8Confident52 Ų5252.5 Ų52.554%0.53629%0.292SS..EExtended strand (participates in β ladder)trans-91.7132.617900000112.8V246G217-V246 CarbonylContact C-O 3.55Å; G217-V246 WeakPolarHBondContact CA-O 3.41Å
218F93.3Very high80Confident22 Ų2256.8 Ų56.810%0.09631%0.314CS..EExtended strand (participates in β ladder)trans-124.5121.9176.8-57.7-75.6000109.8L216 F220 M227 V232 T236 T245 V246 G247 V248 L266L216-F218 HydrophobicContact CB-CE2 3.87Å; L216-F218 HydrophobicContact CB-CZ 3.94Å; L216-F218 HydrophobicContact CD1-CZ 4.45Å; F218-F220 HydrophobicContact CB-CE2 4.02Å; F218-F220 HydrophobicContact CB-CZ 4.23Å; F218-M227 HydrophobicContact CB-SD 4.5Å; F218-M227 HydrophobicContact CD1-CE 4.29Å; F218-M227 HydrophobicContact CD1-SD 3.53Å; F218-M227 VanDerWaalsContact CD1-SD 3.53Å; F218-M227 HydrophobicContact CE1-SD 4.26Å; F218-M227 HydrophobicContact CG-SD 4.49Å; F218-V232 HydrophobicContact CB-CG1 4.32Å; F218-V232 HydrophobicContact CB-CG2 3.99Å; F218-V232 HydrophobicContact CD1-CG1 3.98Å; F218-V232 HydrophobicContact CD1-CG2 3.83Å; F218-V232 HydrophobicContact CD2-CG1 3.65Å; F218-V232 HydrophobicContact CE1-CG1 4.18Å; F218-V232 HydrophobicContact CE1-CG2 4.5Å; F218-V232 HydrophobicContact CE2-CG1 3.88Å; F218-V232 HydrophobicContact CG-CB 4.49Å; F218-V232 HydrophobicContact CG-CG1 3.7Å; F218-V232 HydrophobicContact CG-CG2 3.92Å; F218-V232 HydrophobicContact CZ-CG1 4.14Å; F218-T236 HydrophobicContact CE1-CG2 4.35Å; F218-T236 HydrophobicContact CE2-CG2 3.62Å; F218-T236 HydrophobicContact CZ-CG2 3.4Å; F218-T245 HydrophobicContact CE2-CG2 3.88Å; F218-V246 PolarHBondContact N-O 3.13Å; F218-G247 CarbonylContact O-C 3.56Å; F218-G247 WeakPolarHBondContact O-CA 3.32Å; F218-V248 PolarHBondContact O-N 2.98Å; F218-L266 HydrophobicContact CD2-CD2 4.31Å
219V92.2Very high81.7Confident34 Ų3458 Ų5821%0.20632%0.322CS..EExtended strand (participates in β ladder)trans-87.8123.6-176.2-174.90000110.3A221 R225 Q226 M227 V248V219-A221 HydrophobicContact CG1-CB 4.23Å; V219-R225 HydrophobicContact CB-CB 4.46Å; V219-R225 HydrophobicContact CG2-CB 4.36Å; V219-Q226 CarbonylContact O-C 3.54Å; V219-Q226 WeakPolarHBondContact O-CA 3.35Å; V219-M227 PolarHBondContact O-N 3.39Å; V219-V248 HydrophobicContact CG2-CB 4.25Å
220F95.5Very high83.5Confident11 Ų1162 Ų625%0.04834%0.343CS..  trans-105.6-14.7174.9-66.7-72.5000112.9F218 Q226 M227 P229 V232 V248 F249 T260 A264 L266F218-F220 HydrophobicContact CB-CE2 4.02Å; F218-F220 HydrophobicContact CB-CZ 4.23Å; F220-Q226 PolarHBondContact O-NE2 3.47Å; F220-Q226 VanDerWaalsContact O-NE2 3.16Å; F220-M227 WeakPolarHBondContact CD1-O 3.41Å; F220-P229 HydrophobicContact CD1-CG 4.07Å; F220-P229 HydrophobicContact CE1-CB 4.14Å; F220-P229 HydrophobicContact CE1-CG 3.76Å; F220-V232 HydrophobicContact CE1-CG2 4.14Å; F220-V232 HydrophobicContact CZ-CB 4.34Å; F220-V232 HydrophobicContact CZ-CG2 3.84Å; F220-V248 PolarHBondContact N-O 3.16Å; F220-F249 HydrophobicContact CB-CD1 3.99Å; F220-F249 HydrophobicContact CB-CE1 3.69Å; F220-F249 HydrophobicContact CB-CZ 4.16Å; F220-F249 HydrophobicContact CD2-CE1 4.12Å; F220-F249 HydrophobicContact CD2-CE2 4.05Å; F220-F249 AromaticContact CD2-CZ 3.68Å; F220-F249 HydrophobicContact CD2-CZ 3.68Å; F220-F249 HydrophobicContact CE2-CZ 4.45Å; F220-F249 HydrophobicContact CG-CE1 4.11Å; F220-F249 HydrophobicContact CG-CZ 4.12Å; F220-T260 HydrophobicContact CB-CG2 4.32Å; F220-T260 HydrophobicContact CD1-CG2 3.53Å; F220-T260 HydrophobicContact CD2-CG2 3.8Å; F220-T260 HydrophobicContact CE1-CG2 3.68Å; F220-T260 HydrophobicContact CE2-CG2 3.94Å; F220-T260 HydrophobicContact CG-CG2 3.58Å; F220-T260 HydrophobicContact CZ-CG2 3.86Å; F220-A264 HydrophobicContact CZ-CB 3.81Å; F220-L266 HydrophobicContact CD2-CD1 4.5Å; F220-L266 HydrophobicContact CE2-CD1 3.8Å; F220-L266 HydrophobicContact CE2-CD2 4.17Å; F220-L266 HydrophobicContact CE2-CG 4.48Å
221A91.5Very high84.8Confident16 Ų1664.6 Ų64.613%0.13235%0.354CS..SBendtrans-68.6150.8171.200000111.8V219 S223 V248 V250V219-A221 HydrophobicContact CG1-CB 4.23Å; A221-S223 PolarHBondContact O-N 3.41Å; A221-S223 PolarHBondContact O-OG 3.01Å; A221-V248 PolarHBondContact N-O 2.88Å; A221-V250 HydrophobicContact CB-CB 3.84Å; A221-V250 HydrophobicContact CB-CG2 3.53Å
222K88.8Confident86.2Confident203 Ų20363.5 Ų63.588%0.88335%0.345SS*.SBendtrans-55.5109.5176.4-174.2177.9-177.6177.70110.8
223S83.5Confident87.5Confident38 Ų3868 Ų6827%0.26636%0.355SS..SBendtrans-164.6167.4179.472.70000110.2A221 R225 Q226A221-S223 PolarHBondContact O-N 3.41Å; A221-S223 PolarHBondContact O-OG 3.01Å; S223-R225 PolarHBondContact O-N 3.49Å; S223-R225 VanDerWaalsContact O-N 3.08Å; S223-R225 PolarHBondContact OG-N 2.84Å; S223-Q226 WeakPolarHBondContact O-CB 3.37Å; S223-Q226 PolarHBondContact O-N 3.37Å; S223-Q226 VanDerWaalsContact O-N 3.08Å; S223-Q226 PolarHBondContact OG-N 3.22Å
224P74.5Confident87.5Confident136 Ų13674 Ų7488%0.88337%0.372SS*.THydrogen-bonded Turntrans-59.3-16.6171.1-24.135000114.3
225R78.1Confident87Confident125 Ų12573.2 Ų73.247%0.47236%0.364SS..THydrogen-bonded Turntrans-103.112.5180-67.2176.3-71.7-85.9-2.8112.7V219 S223 M227V219-R225 HydrophobicContact CB-CB 4.46Å; V219-R225 HydrophobicContact CG2-CB 4.36Å; S223-R225 PolarHBondContact O-N 3.49Å; S223-R225 VanDerWaalsContact O-N 3.08Å; S223-R225 PolarHBondContact OG-N 2.84Å; R225-M227 PolarHBondContact O-N 3.5Å
226Q87.1Confident86.4Confident111 Ų11170.4 Ų70.452%0.51936%0.355SS..BIsolated β-bridgetrans-64129.4-178.4-174.2176.411.800110.3V219 F220 S223V219-Q226 CarbonylContact O-C 3.54Å; V219-Q226 WeakPolarHBondContact O-CA 3.35Å; F220-Q226 PolarHBondContact O-NE2 3.47Å; F220-Q226 VanDerWaalsContact O-NE2 3.16Å; S223-Q226 WeakPolarHBondContact O-CB 3.37Å; S223-Q226 PolarHBondContact O-N 3.37Å; S223-Q226 VanDerWaalsContact O-N 3.08Å; S223-Q226 PolarHBondContact OG-N 3.22Å
227M85.7Confident85.9Confident49 Ų4976.3 Ų76.324%0.24138%0.375CS..  trans-111.1152.9178.5-64.8-163.267.500112.1F218 V219 F220 R225 V232 L235F218-M227 HydrophobicContact CB-SD 4.5Å; F218-M227 HydrophobicContact CD1-CE 4.29Å; F218-M227 HydrophobicContact CD1-SD 3.53Å; F218-M227 VanDerWaalsContact CD1-SD 3.53Å; F218-M227 HydrophobicContact CE1-SD 4.26Å; F218-M227 HydrophobicContact CG-SD 4.49Å; V219-M227 PolarHBondContact O-N 3.39Å; F220-M227 WeakPolarHBondContact CD1-O 3.41Å; R225-M227 PolarHBondContact O-N 3.5Å; M227-V232 HydrophobicContact CB-CG2 3.8Å; M227-V232 HydrophobicContact CE-CG2 3.97Å; M227-V232 HydrophobicContact SD-CG2 4.19Å; M227-L235 HydrophobicContact CE-CD1 3.6Å
228I88.5Confident85Confident92 Ų9278.1 Ų78.147%0.47237%0.373SS..  trans-87.7133.2176.2-57.2177.4000108.7D230 E231 V232I228-D230 VanDerWaalsContact C-N 3.31Å; I228-D230 PolarHBondContact O-N 3.37Å; I228-E231 HydrophobicContact CB-CB 4.35Å; I228-E231 HydrophobicContact CB-CG 4.01Å; I228-E231 WeakPolarHBondContact O-CB 3.32Å; I228-E231 PolarHBondContact O-N 3.06Å; I228-V232 PolarHBondContact O-N 3.34Å; I228-V232 VanDerWaalsContact O-N 3.1Å
229P93.8Very high83.9Confident27 Ų2778.7 Ų78.718%0.17538%0.377CS..Hα-helixtrans-55.9-40.8-175.1-27.736.1000114.3F220 E231 V232 R233 T260 I263 A264F220-P229 HydrophobicContact CD1-CG 4.07Å; F220-P229 HydrophobicContact CE1-CB 4.14Å; F220-P229 HydrophobicContact CE1-CG 3.76Å; P229-E231 VanDerWaalsContact C-N 3.31Å; P229-E231 PolarHBondContact O-N 3.23Å; P229-V232 PolarHBondContact O-N 3.14Å; P229-R233 PolarHBondContact O-N 3.44Å; P229-T260 HydrophobicContact CB-CG2 4.32Å; P229-T260 HydrophobicContact CG-CG2 3.83Å; P229-I263 HydrophobicContact CB-CB 3.85Å; P229-I263 HydrophobicContact CB-CG2 3.56Å; P229-A264 HydrophobicContact CB-CB 4.13Å; P229-A264 WeakPolarHBondContact O-CA 3.39Å
230D90.6Very high82.9Confident95 Ų9578.6 Ų78.651%0.50838%0.377SS..Hα-helixtrans-64.9-32.9177.1-69.8-66.8000113.2I228 R234 I263I228-D230 VanDerWaalsContact C-N 3.31Å; I228-D230 PolarHBondContact O-N 3.37Å; D230-R234 VanDerWaalsContact O-CG 3.23Å; D230-R234 WeakPolarHBondContact O-CG 3.28Å; D230-R234 PolarHBondContact O-N 3.01Å; D230-R234 VanDerWaalsContact O-N 3.09Å; D230-I263 WeakPolarHBondContact OD1-CG2 3.45Å
231E80.9Confident82Confident93 Ų9386.5 Ų86.544%0.43541%0.414SS..Hα-helixtrans-69.5-44.7175.5-68176164.200110.6I228 P229 R233 R234 L235I228-E231 HydrophobicContact CB-CB 4.35Å; I228-E231 HydrophobicContact CB-CG 4.01Å; I228-E231 WeakPolarHBondContact O-CB 3.32Å; I228-E231 PolarHBondContact O-N 3.06Å; P229-E231 VanDerWaalsContact C-N 3.31Å; P229-E231 PolarHBondContact O-N 3.23Å; E231-R233 VanDerWaalsContact C-N 3.31Å; E231-R233 PolarHBondContact O-N 2.93Å; E231-R234 WeakPolarHBondContact O-CB 3.18Å; E231-R234 PolarHBondContact O-N 3.29Å; E231-R234 VanDerWaalsContact O-N 3.09Å; E231-L235 VanDerWaalsContact O-CG 3.32Å; E231-L235 WeakPolarHBondContact O-CG 3.44Å; E231-L235 PolarHBondContact O-N 3.01Å
232V85.5Confident81.5Confident0 Ų092.4 Ų92.40%043%0.433CS..Hα-helixtrans-56.5-48.7174.2176.70000109.8F218 F220 M227 I228 P229 R234 L235 T236 A264 L266F218-V232 HydrophobicContact CB-CG1 4.32Å; F218-V232 HydrophobicContact CB-CG2 3.99Å; F218-V232 HydrophobicContact CD1-CG1 3.98Å; F218-V232 HydrophobicContact CD1-CG2 3.83Å; F218-V232 HydrophobicContact CD2-CG1 3.65Å; F218-V232 HydrophobicContact CE1-CG1 4.18Å; F218-V232 HydrophobicContact CE1-CG2 4.5Å; F218-V232 HydrophobicContact CE2-CG1 3.88Å; F218-V232 HydrophobicContact CG-CB 4.49Å; F218-V232 HydrophobicContact CG-CG1 3.7Å; F218-V232 HydrophobicContact CG-CG2 3.92Å; F218-V232 HydrophobicContact CZ-CG1 4.14Å; F220-V232 HydrophobicContact CE1-CG2 4.14Å; F220-V232 HydrophobicContact CZ-CB 4.34Å; F220-V232 HydrophobicContact CZ-CG2 3.84Å; M227-V232 HydrophobicContact CB-CG2 3.8Å; M227-V232 HydrophobicContact CE-CG2 3.97Å; M227-V232 HydrophobicContact SD-CG2 4.19Å; I228-V232 PolarHBondContact O-N 3.34Å; I228-V232 VanDerWaalsContact O-N 3.1Å; P229-V232 PolarHBondContact O-N 3.14Å; V232-R234 PolarHBondContact O-N 3.01Å; V232-L235 PolarHBondContact O-N 3.09Å; V232-L235 VanDerWaalsContact O-N 3.1Å; V232-T236 HydrophobicContact CG1-CG2 3.93Å; V232-T236 WeakPolarHBondContact O-CB 3.36Å; V232-T236 VanDerWaalsContact O-CG2 3.29Å; V232-T236 WeakPolarHBondContact O-CG2 3.25Å; V232-T236 PolarHBondContact O-N 3.4Å; V232-T236 PolarHBondContact O-OG1 3.36Å; V232-A264 HydrophobicContact CB-CB 4.03Å; V232-A264 HydrophobicContact CG1-CB 3.98Å; V232-L266 HydrophobicContact CG1-CD2 4.33Å
233R90.8Very high81.2Confident115 Ų11583.1 Ų83.143%0.43439%0.393SS..Hα-helixtrans-58.6-34.8177.9-173.754.3174.4-95.56.3113.4P229 E231 R237 D262 I263P229-R233 PolarHBondContact O-N 3.44Å; E231-R233 VanDerWaalsContact C-N 3.31Å; E231-R233 PolarHBondContact O-N 2.93Å; R233-R237 WeakPolarHBondContact O-CB 3.49Å; R233-R237 PolarHBondContact O-N 3.22Å; R233-D262 PolarHBondContact NH1-O 2.96Å; R233-I263 VanDerWaalsContact CB-O 3.26Å; R233-I263 WeakPolarHBondContact CB-O 3.47Å; R233-I263 VanDerWaalsContact CG-O 3.3Å; R233-I263 WeakPolarHBondContact CG-O 3.33Å; R233-I263 PolarHBondContact NH1-O 3.27Å
234R79.5Confident81.6Confident154 Ų15484.9 Ų84.958%0.58140%0.396SS*.Hα-helixtrans-71.7-42176.7-73.4170.3-173.9-154.52.8111.5D230 E231 V232D230-R234 VanDerWaalsContact O-CG 3.23Å; D230-R234 WeakPolarHBondContact O-CG 3.28Å; D230-R234 PolarHBondContact O-N 3.01Å; D230-R234 VanDerWaalsContact O-N 3.09Å; E231-R234 WeakPolarHBondContact O-CB 3.18Å; E231-R234 PolarHBondContact O-N 3.29Å; E231-R234 VanDerWaalsContact O-N 3.09Å; V232-R234 PolarHBondContact O-N 3.01Å
235L74.6Confident82.5Confident64 Ų6478.7 Ų78.734%0.33536%0.355SS..Hα-helixtrans-70-33.6179.8-68.8169.6000112.6A203 M227 E231 V232A203-L235 HydrophobicContact CB-CD2 4.4Å; M227-L235 HydrophobicContact CE-CD1 3.6Å; E231-L235 VanDerWaalsContact O-CG 3.32Å; E231-L235 WeakPolarHBondContact O-CG 3.44Å; E231-L235 PolarHBondContact O-N 3.01Å; V232-L235 PolarHBondContact O-N 3.09Å; V232-L235 VanDerWaalsContact O-N 3.1Å
236T80.3Confident83.4Confident15 Ų1572.9 Ų72.99%0.09233%0.333CS..Hα-helixtrans-96.2-8.9-172.362.20000114.2F218 V232 D238 L239 T245F218-T236 HydrophobicContact CE1-CG2 4.35Å; F218-T236 HydrophobicContact CE2-CG2 3.62Å; F218-T236 HydrophobicContact CZ-CG2 3.4Å; V232-T236 HydrophobicContact CG1-CG2 3.93Å; V232-T236 WeakPolarHBondContact O-CB 3.36Å; V232-T236 VanDerWaalsContact O-CG2 3.29Å; V232-T236 WeakPolarHBondContact O-CG2 3.25Å; V232-T236 PolarHBondContact O-N 3.4Å; V232-T236 PolarHBondContact O-OG1 3.36Å; T236-D238 PolarHBondContact O-N 3.42Å; T236-D238 VanDerWaalsContact O-N 3.13Å; T236-L239 HydrophobicContact CG2-CD1 3.74Å; T236-L239 WeakPolarHBondContact O-CB 3.46Å; T236-L239 PolarHBondContact O-N 3.09Å; T236-L239 VanDerWaalsContact O-N 3.08Å; T236-T245 HydrophobicContact CG2-CG2 3.68Å
237R78.8Confident83.9Confident150 Ų15067.6 Ų67.657%0.56631%0.309SS*.THydrogen-bonded Turntrans-51.1-41.9-172.4-174.5-175.8-61.6-174.8-0113.8R233R233-R237 WeakPolarHBondContact O-CB 3.49Å; R233-R237 PolarHBondContact O-N 3.22Å
238D70.6Confident84.5Confident90 Ų9066.2 Ų66.248%0.48130%0.303SS..THydrogen-bonded Turntrans-107.517-172.8-58-36000111.8A200 T236A200-D238 WeakPolarHBondContact CB-OD2 3.49Å; T236-D238 PolarHBondContact O-N 3.42Å; T236-D238 VanDerWaalsContact O-N 3.13Å
239L71.7Confident84.9Confident34 Ų3461.9 Ų61.918%0.17828%0.281CS..  trans-64.1141175.4-76174.6000110.8A207 L216 T236 E241 I243 T245A207-L239 HydrophobicContact CB-CD2 4.34Å; L216-L239 HydrophobicContact CD1-CD1 3.68Å; L216-L239 HydrophobicContact CD1-CD2 4.07Å; T236-L239 HydrophobicContact CG2-CD1 3.74Å; T236-L239 WeakPolarHBondContact O-CB 3.46Å; T236-L239 PolarHBondContact O-N 3.09Å; T236-L239 VanDerWaalsContact O-N 3.08Å; L239-E241 PolarHBondContact O-N 3.14Å; L239-I243 HydrophobicContact CD1-CG2 4.34Å; L239-I243 HydrophobicContact CD2-CD1 4.42Å; L239-T245 HydrophobicContact CD1-CG2 3.96Å
240P70.3Confident85Confident32 Ų3264.6 Ų64.621%0.20830%0.297CS..  trans-58.2139.3171.3-24.534.5000111.7R242 I243P240-R242 HydrophobicContact CB-CG 4.11Å; P240-R242 PolarHBondContact O-N 2.95Å; P240-I243 PolarHBondContact O-N 3.07Å
241E77.3Confident85.2Confident177 Ų17762.9 Ų62.983%0.82729%0.292SS*.THydrogen-bonded Turntrans-54-24.7-175.3-66.2-17617100115L239 I243 K244L239-E241 PolarHBondContact O-N 3.14Å; E241-I243 VanDerWaalsContact C-N 3.27Å; E241-I243 PolarHBondContact O-N 2.93Å; E241-K244 WeakPolarHBondContact O-CE 3.42Å; E241-K244 PolarHBondContact O-NZ 3.06Å; E241-K244 VanDerWaalsContact O-NZ 3.09Å
242R79.8Confident85.9Confident141 Ų14159 Ų5953%0.53228%0.275SS..THydrogen-bonded Turntrans-65.8-26.6176.474.9-174.6-179.2-98.1-2.2113.2D173 P240D173-R242 IonicContact OD2-NH2 2.77Å; D173-R242 PolarHBondContact OD2-NH2 3.32Å; P240-R242 HydrophobicContact CB-CG 4.11Å; P240-R242 PolarHBondContact O-N 2.95Å
243I83.4Confident86.5Confident8 Ų866.2 Ų66.24%0.04131%0.309CS..SBendtrans-92.1124-179.2-57.3-174.9000107.5L216 L239 P240 E241L216-I243 HydrophobicContact CD1-CG2 3.81Å; L216-I243 HydrophobicContact CG-CG2 3.72Å; L239-I243 HydrophobicContact CD1-CG2 4.34Å; L239-I243 HydrophobicContact CD2-CD1 4.42Å; P240-I243 PolarHBondContact O-N 3.07Å; E241-I243 VanDerWaalsContact C-N 3.27Å; E241-I243 PolarHBondContact O-N 2.93Å
244K92.3Very high86.8Confident75 Ų7565.8 Ų65.833%0.32631%0.312SS..EExtended strand (participates in β ladder)trans-105.2146.3179.5-61.5-57.8-177.5-167.50111.3T214 Y215 L216 E241 D267 L268T214-K244 PolarHBondContact O-N 3.26Å; Y215-K244 CarbonylContact C-O 3.55Å; Y215-K244 WeakPolarHBondContact CA-O 3.27Å; Y215-K244 HydrophobicContact CD1-CB 3.55Å; Y215-K244 HydrophobicContact CD1-CG 4.46Å; Y215-K244 HydrophobicContact CE1-CB 3.67Å; Y215-K244 HydrophobicContact CE1-CG 4.14Å; L216-K244 PolarHBondContact N-O 3.3Å; E241-K244 WeakPolarHBondContact O-CE 3.42Å; E241-K244 PolarHBondContact O-NZ 3.06Å; E241-K244 VanDerWaalsContact O-NZ 3.09Å; K244-D267 WeakPolarHBondContact CA-OD2 3.42Å; K244-D267 HydrophobicContact CB-CB 4.1Å; K244-D267 HydrophobicContact CD-CB 4.03Å; K244-D267 WeakPolarHBondContact CD-OD1 3.32Å; K244-D267 IonicContact NZ-OD1 3.39Å; K244-L268 HydrophobicContact CB-CD1 3.94Å
245T93.5Very high87.6Confident5 Ų564.4 Ų64.43%0.03132%0.316CS..EExtended strand (participates in β ladder)trans-102.6135.5-177.457.80000110.7F218 T236 L239 G265 L266 D267 L268F218-T245 HydrophobicContact CE2-CG2 3.88Å; T236-T245 HydrophobicContact CG2-CG2 3.68Å; L239-T245 HydrophobicContact CD1-CG2 3.96Å; T245-G265 PolarHBondContact OG1-O 3.31Å; T245-L266 VanDerWaalsContact OG1-CA 3.29Å; T245-L266 WeakPolarHBondContact OG1-CA 3.36Å; T245-D267 PolarHBondContact N-OD2 2.9Å; T245-D267 WeakPolarHBondContact O-CB 3.44Å; T245-D267 PolarHBondContact O-N 2.7Å; T245-D267 PolarHBondContact OG1-N 3.38Å; T245-D267 PolarHBondContact OG1-OD2 2.88Å; T245-L268 PolarHBondContact O-N 3.1Å
246V96.9Very high88.6Confident3 Ų365.8 Ų65.82%0.01832%0.32CS..EExtended strand (participates in β ladder)trans-124119.5-175.5-174.60000109Y215 L216 G217 F218 L268 Q270 I285 W337Y215-V246 HydrophobicContact CD1-CG2 4Å; Y215-V246 HydrophobicContact CG-CG2 4.44Å; L216-V246 PolarHBondContact O-N 3.08Å; G217-V246 CarbonylContact C-O 3.55Å; G217-V246 WeakPolarHBondContact CA-O 3.41Å; F218-V246 PolarHBondContact N-O 3.13Å; V246-L268 WeakPolarHBondContact CA-O 3.42Å; V246-L268 HydrophobicContact CG1-CB 4.46Å; V246-L268 HydrophobicContact CG2-CB 4.24Å; V246-L268 HydrophobicContact CG2-CD1 4.24Å; V246-Q270 HydrophobicContact CG1-CB 3.77Å; V246-I285 HydrophobicContact CG1-CD1 3.74Å; V246-I285 HydrophobicContact CG2-CD1 4.29Å; V246-W337 HydrophobicContact CG2-CH2 4.39Å
247G97.5Very high89.4Confident0 Ų065 Ų650%032%0.316CS..EExtended strand (participates in β ladder)trans-89.3127.2171.800000111.7F218 F249 L268 Q270F218-G247 CarbonylContact O-C 3.56Å; F218-G247 WeakPolarHBondContact O-CA 3.32Å; G247-F249 WeakPolarHBondContact O-CD2 3.46Å; G247-F249 WeakPolarHBondContact O-CE2 3.43Å; G247-L268 PolarHBondContact N-O 2.91Å; G247-Q270 PolarHBondContact O-N 3.4Å
248V97.4Very high90.4Very high20 Ų2059.5 Ų59.512%0.12130%0.296CS..EExtended strand (participates in β ladder)trans-100.9119.8-179-173.20000110.3F218 V219 F220 A221 Q270F218-V248 PolarHBondContact O-N 2.98Å; V219-V248 HydrophobicContact CG2-CB 4.25Å; F220-V248 PolarHBondContact N-O 3.16Å; A221-V248 PolarHBondContact N-O 2.88Å; V248-Q270 HydrophobicContact CG2-CB 4.3Å
249F97.6Very high91.7Very high1 Ų161.5 Ų61.50%0.00430%0.301CS..EExtended strand (participates in β ladder)trans-123.3153.8-178.3-59.8-97000111.2F220 G247 P252 V257 T260 L266 V269 Q270 H272F220-F249 HydrophobicContact CB-CD1 3.99Å; F220-F249 HydrophobicContact CB-CE1 3.69Å; F220-F249 HydrophobicContact CB-CZ 4.16Å; F220-F249 HydrophobicContact CD2-CE1 4.12Å; F220-F249 HydrophobicContact CD2-CE2 4.05Å; F220-F249 AromaticContact CD2-CZ 3.68Å; F220-F249 HydrophobicContact CD2-CZ 3.68Å; F220-F249 HydrophobicContact CE2-CZ 4.45Å; F220-F249 HydrophobicContact CG-CE1 4.11Å; F220-F249 HydrophobicContact CG-CZ 4.12Å; G247-F249 WeakPolarHBondContact O-CD2 3.46Å; G247-F249 WeakPolarHBondContact O-CE2 3.43Å; F249-P252 HydrophobicContact CB-CB 3.95Å; F249-P252 HydrophobicContact CB-CG 3.62Å; F249-P252 HydrophobicContact CD1-CB 4.23Å; F249-P252 HydrophobicContact CG-CB 4.4Å; F249-P252 HydrophobicContact CG-CG 4.3Å; F249-V257 HydrophobicContact CD1-CG2 4.06Å; F249-V257 HydrophobicContact CD2-CG1 4.34Å; F249-V257 HydrophobicContact CD2-CG2 4.48Å; F249-V257 HydrophobicContact CE1-CG2 4.28Å; F249-V257 HydrophobicContact CE2-CG1 3.99Å; F249-V257 HydrophobicContact CG-CG2 4.17Å; F249-V257 HydrophobicContact CZ-CG1 4.11Å; F249-T260 HydrophobicContact CE1-CG2 3.83Å; F249-T260 HydrophobicContact CZ-CG2 3.63Å; F249-L266 HydrophobicContact CE2-CD1 4.33Å; F249-L266 HydrophobicContact CZ-CD1 4.45Å; F249-V269 HydrophobicContact CD2-CG1 3.72Å; F249-V269 HydrophobicContact CE2-CG1 3.91Å; F249-Q270 PolarHBondContact N-O 2.87Å; F249-H272 PolarHBondContact O-N 3.04Å
250V96.1Very high92.9Very high84 Ų8460.8 Ų60.851%0.50930%0.298SS..EExtended strand (participates in β ladder)trans-123.5114.2176.9178.60000109A221 P252 H272A221-V250 HydrophobicContact CB-CB 3.84Å; A221-V250 HydrophobicContact CB-CG2 3.53Å; V250-P252 VanDerWaalsContact C-CD 3.48Å; V250-H272 HydrophobicContact CG2-CB 4.03Å
251S95.1Very high94.3Very high59 Ų5959.3 Ų59.341%0.41329%0.288SS..SBendtrans46.247.7-178.9-44.30000114.9H272 G273 K274S251-H272 PolarHBondContact N-O 3.06Å; S251-G273 WeakPolarHBondContact OG-CA 3.48Å; S251-K274 VanDerWaalsContact CA-O 3.25Å; S251-K274 WeakPolarHBondContact CA-O 3.29Å; S251-K274 WeakPolarHBondContact CB-O 3.2Å; S251-K274 PolarHBondContact OG-N 3.09Å; S251-K274 PolarHBondContact OG-O 2.85Å
252P96Very high95.2Very high12 Ų1255.2 Ų55.28%0.07827%0.272CS..  trans-80.5167-171.938.6-40.6000112.8F249 V250 V257 I271 L277F249-P252 HydrophobicContact CB-CB 3.95Å; F249-P252 HydrophobicContact CB-CG 3.62Å; F249-P252 HydrophobicContact CD1-CB 4.23Å; F249-P252 HydrophobicContact CG-CB 4.4Å; F249-P252 HydrophobicContact CG-CG 4.3Å; V250-P252 VanDerWaalsContact C-CD 3.48Å; P252-V257 HydrophobicContact CB-CG2 3.49Å; P252-V257 VanDerWaalsContact CB-CG2 3.49Å; P252-V257 HydrophobicContact CG-CG2 3.38Å; P252-I271 HydrophobicContact CG-CG2 4.16Å; P252-L277 HydrophobicContact CG-CD1 4.24Å
253Q96.1Very high96.1Very high151 Ų15151 Ų5171%0.70626%0.26SS*.  trans-89.1152.2165.4-64.6-171.3-16.800111.6N255 E256 V257Q253-N255 PolarHBondContact O-N 3.19Å; Q253-E256 HydrophobicContact CB-CB 4.5Å; Q253-E256 PolarHBondContact N-OE2 3.35Å; Q253-E256 WeakPolarHBondContact O-CB 3.32Å; Q253-E256 PolarHBondContact O-N 2.97Å; Q253-V257 WeakPolarHBondContact O-CG2 3.32Å; Q253-V257 PolarHBondContact O-N 3.46Å
254Q97.1Very high96.6Very high106 Ų10650.7 Ų50.750%0.49526%0.258SS..Hα-helixtrans-53.4-50.3-178.7-176170.4-22.300112.8E256 V257 E258 L277 L280Q254-E256 VanDerWaalsContact C-N 3.28Å; Q254-E256 PolarHBondContact O-N 3.15Å; Q254-V257 PolarHBondContact O-N 2.96Å; Q254-E258 HydrophobicContact CG-CG 4.13Å; Q254-E258 VanDerWaalsContact O-CG 3.31Å; Q254-E258 WeakPolarHBondContact O-CG 3.46Å; Q254-E258 PolarHBondContact O-N 3.17Å; Q254-L277 HydrophobicContact CB-CD2 3.69Å; Q254-L277 HydrophobicContact CG-CD2 4.41Å; Q254-L280 HydrophobicContact CG-CD2 3.81Å
255N96.9Very high96.7Very high125 Ų12548.3 Ų48.367%0.66826%0.255SS*.Hα-helixtrans-62.2-35.2-176.8-172.144.6000112.9Q253 K259Q253-N255 PolarHBondContact O-N 3.19Å; N255-K259 WeakPolarHBondContact O-CB 3.3Å; N255-K259 PolarHBondContact O-N 2.63Å; N255-K259 VanDerWaalsContact O-N 3.11Å
256E96.4Very high96.9Very high93 Ų9348.4 Ų48.444%0.43526%0.255SS..Hα-helixtrans-64.3-46.5176.1-179.4-168.8173.600111.1Q253 Q254 T260Q253-E256 HydrophobicContact CB-CB 4.5Å; Q253-E256 PolarHBondContact N-OE2 3.35Å; Q253-E256 WeakPolarHBondContact O-CB 3.32Å; Q253-E256 PolarHBondContact O-N 2.97Å; Q254-E256 VanDerWaalsContact C-N 3.28Å; Q254-E256 PolarHBondContact O-N 3.15Å; E256-T260 VanDerWaalsContact O-CB 3.23Å; E256-T260 WeakPolarHBondContact O-CB 3.23Å; E256-T260 PolarHBondContact O-N 3.02Å; E256-T260 PolarHBondContact O-OG1 2.89Å
257V97.7Very high96.9Very high0 Ų051 Ų510%027%0.269CS..Hα-helixtrans-65.2-49.4-180-178.90000111.2F249 P252 Q253 Q254 T260 A261 V269 L277 L280F249-V257 HydrophobicContact CD1-CG2 4.06Å; F249-V257 HydrophobicContact CD2-CG1 4.34Å; F249-V257 HydrophobicContact CD2-CG2 4.48Å; F249-V257 HydrophobicContact CE1-CG2 4.28Å; F249-V257 HydrophobicContact CE2-CG1 3.99Å; F249-V257 HydrophobicContact CG-CG2 4.17Å; F249-V257 HydrophobicContact CZ-CG1 4.11Å; P252-V257 HydrophobicContact CB-CG2 3.49Å; P252-V257 VanDerWaalsContact CB-CG2 3.49Å; P252-V257 HydrophobicContact CG-CG2 3.38Å; Q253-V257 WeakPolarHBondContact O-CG2 3.32Å; Q253-V257 PolarHBondContact O-N 3.46Å; Q254-V257 PolarHBondContact O-N 2.96Å; V257-T260 PolarHBondContact O-N 3.27Å; V257-A261 WeakPolarHBondContact O-CB 3.46Å; V257-A261 PolarHBondContact O-N 2.89Å; V257-V269 HydrophobicContact CG1-CB 4.22Å; V257-V269 HydrophobicContact CG1-CG1 3.48Å; V257-V269 VanDerWaalsContact CG1-CG1 3.48Å; V257-V269 HydrophobicContact CG1-CG2 3.69Å; V257-L277 HydrophobicContact CG2-CD1 4.46Å; V257-L280 HydrophobicContact CB-CD1 4.35Å; V257-L280 HydrophobicContact CG1-CD1 3.61Å
258E98.3Very high96.9Very high33 Ų3351.6 Ų51.615%0.15427%0.272CS..Hα-helixtrans-60.7-50-177.3-66.4-69.8-175.100111.1Q254 T260 A261 D262 L280 S281 R282Q254-E258 HydrophobicContact CG-CG 4.13Å; Q254-E258 VanDerWaalsContact O-CG 3.31Å; Q254-E258 WeakPolarHBondContact O-CG 3.46Å; Q254-E258 PolarHBondContact O-N 3.17Å; E258-T260 VanDerWaalsContact C-N 3.34Å; E258-T260 PolarHBondContact O-N 3.27Å; E258-A261 PolarHBondContact O-N 3.28Å; E258-D262 VanDerWaalsContact O-CG 3.31Å; E258-D262 PolarHBondContact O-N 2.95Å; E258-L280 HydrophobicContact CG-CD2 4.3Å; E258-L280 VanDerWaalsContact OE1-CA 3.25Å; E258-L280 WeakPolarHBondContact OE1-CA 3.38Å; E258-L280 WeakPolarHBondContact OE1-CB 3.17Å; E258-L280 WeakPolarHBondContact OE1-CD2 3.36Å; E258-S281 PolarHBondContact OE1-N 2.81Å; E258-S281 WeakPolarHBondContact OE2-CB 3.32Å; E258-S281 PolarHBondContact OE2-OG 3.05Å; E258-R282 IonicContact OE2-NH1 3.01Å
259K98.1Very high97Very high133 Ų13350.7 Ų50.758%0.57827%0.267SS*.Hα-helixtrans-58.5-46.7177.3-178.3-179.7177.6-176.90111.7N255 D262 I263N255-K259 WeakPolarHBondContact O-CB 3.3Å; N255-K259 PolarHBondContact O-N 2.63Å; N255-K259 VanDerWaalsContact O-N 3.11Å; K259-D262 PolarHBondContact O-N 3.22Å; K259-I263 HydrophobicContact CG-CD1 3.96Å; K259-I263 VanDerWaalsContact O-CG1 3.31Å; K259-I263 WeakPolarHBondContact O-CG1 3.26Å; K259-I263 PolarHBondContact O-N 3.23Å; K259-I263 VanDerWaalsContact O-N 3.12Å
260T98.1Very high97Very high19 Ų1951 Ų5112%0.11727%0.268CS..Hα-helixtrans-63.2-44.7-179.9-62.80000111.2F220 P229 F249 E256 V257 E258 D262 I263 A264F220-T260 HydrophobicContact CB-CG2 4.32Å; F220-T260 HydrophobicContact CD1-CG2 3.53Å; F220-T260 HydrophobicContact CD2-CG2 3.8Å; F220-T260 HydrophobicContact CE1-CG2 3.68Å; F220-T260 HydrophobicContact CE2-CG2 3.94Å; F220-T260 HydrophobicContact CG-CG2 3.58Å; F220-T260 HydrophobicContact CZ-CG2 3.86Å; P229-T260 HydrophobicContact CB-CG2 4.32Å; P229-T260 HydrophobicContact CG-CG2 3.83Å; F249-T260 HydrophobicContact CE1-CG2 3.83Å; F249-T260 HydrophobicContact CZ-CG2 3.63Å; E256-T260 VanDerWaalsContact O-CB 3.23Å; E256-T260 WeakPolarHBondContact O-CB 3.23Å; E256-T260 PolarHBondContact O-N 3.02Å; E256-T260 PolarHBondContact O-OG1 2.89Å; V257-T260 PolarHBondContact O-N 3.27Å; E258-T260 VanDerWaalsContact C-N 3.34Å; E258-T260 PolarHBondContact O-N 3.27Å; T260-D262 VanDerWaalsContact C-N 3.33Å; T260-D262 PolarHBondContact O-N 2.91Å; T260-I263 PolarHBondContact O-N 3.2Å; T260-A264 VanDerWaalsContact O-CB 3.25Å; T260-A264 WeakPolarHBondContact O-CB 3.4Å; T260-A264 PolarHBondContact O-N 3.22Å
261A98.1Very high97Very high0 Ų047 Ų470%024%0.244CC..Hα-helixtrans-66.5-34.9-178.300000112.7V257 E258 G265 L266 V269 R282V257-A261 WeakPolarHBondContact O-CB 3.46Å; V257-A261 PolarHBondContact O-N 2.89Å; E258-A261 PolarHBondContact O-N 3.28Å; A261-G265 WeakPolarHBondContact O-CA 3.29Å; A261-G265 PolarHBondContact O-N 3.09Å; A261-L266 HydrophobicContact CB-CB 4.12Å; A261-L266 HydrophobicContact CB-CD1 3.87Å; A261-L266 HydrophobicContact CB-CG 4.3Å; A261-L266 PolarHBondContact O-N 3.15Å; A261-V269 HydrophobicContact CB-CG2 4.49Å; A261-R282 VanDerWaalsContact C-CZ 3.49Å; A261-R282 VanDerWaalsContact C-NH2 3.25Å; A261-R282 VanDerWaalsContact CB-CZ 3.44Å; A261-R282 PolarHBondContact O-NH2 2.91Å
262D97.9Very high96.9Very high92 Ų9246.4 Ų46.449%0.49224%0.235SC..Hα-helixtrans-67.6-46.5174.4-72-15.6000112.6R233 E258 K259 T260 G265 R282R233-D262 PolarHBondContact NH1-O 2.96Å; E258-D262 VanDerWaalsContact O-CG 3.31Å; E258-D262 PolarHBondContact O-N 2.95Å; K259-D262 PolarHBondContact O-N 3.22Å; T260-D262 VanDerWaalsContact C-N 3.33Å; T260-D262 PolarHBondContact O-N 2.91Å; D262-G265 PolarHBondContact O-N 2.78Å; D262-R282 IonicContact OD1-CZ 3.22Å; D262-R282 VanDerWaalsContact OD1-CZ 3.23Å; D262-R282 IonicContact OD1-NH1 2.65Å; D262-R282 PolarHBondContact OD1-NH1 2.76Å; D262-R282 IonicContact OD1-NH2 2.7Å; D262-R282 PolarHBondContact OD1-NH2 3.42Å
263I97.4Very high96.7Very high53 Ų5347.7 Ų47.727%0.27225%0.25SS..Hα-helixtrans-62.4-55177.7-63.9166.1000109.4P229 D230 R233 K259 T260 G265P229-I263 HydrophobicContact CB-CB 3.85Å; P229-I263 HydrophobicContact CB-CG2 3.56Å; D230-I263 WeakPolarHBondContact OD1-CG2 3.45Å; R233-I263 VanDerWaalsContact CB-O 3.26Å; R233-I263 WeakPolarHBondContact CB-O 3.47Å; R233-I263 VanDerWaalsContact CG-O 3.3Å; R233-I263 WeakPolarHBondContact CG-O 3.33Å; R233-I263 PolarHBondContact NH1-O 3.27Å; K259-I263 HydrophobicContact CG-CD1 3.96Å; K259-I263 VanDerWaalsContact O-CG1 3.31Å; K259-I263 WeakPolarHBondContact O-CG1 3.26Å; K259-I263 PolarHBondContact O-N 3.23Å; K259-I263 VanDerWaalsContact O-N 3.12Å; T260-I263 PolarHBondContact O-N 3.2Å; I263-G265 VanDerWaalsContact C-N 3.25Å; I263-G265 PolarHBondContact O-N 3.09Å
264A94.8Very high96.4Very high0 Ų049.5 Ų49.50%026%0.256CS..Hα-helixtrans-68.9-18.5-176.800000114.2F220 P229 V232 T260 L266F220-A264 HydrophobicContact CZ-CB 3.81Å; P229-A264 HydrophobicContact CB-CB 4.13Å; P229-A264 WeakPolarHBondContact O-CA 3.39Å; V232-A264 HydrophobicContact CB-CB 4.03Å; V232-A264 HydrophobicContact CG1-CB 3.98Å; T260-A264 VanDerWaalsContact O-CB 3.25Å; T260-A264 WeakPolarHBondContact O-CB 3.4Å; T260-A264 PolarHBondContact O-N 3.22Å; A264-L266 HydrophobicContact CB-CD2 3.98Å; A264-L266 HydrophobicContact CB-CG 3.87Å
265G94.8Very high96Very high26 Ų2645.7 Ų45.727%0.26824%0.24SC..THydrogen-bonded Turntrans70.341.2-176.800000113T245 A261 D262 I263T245-G265 PolarHBondContact OG1-O 3.31Å; A261-G265 WeakPolarHBondContact O-CA 3.29Å; A261-G265 PolarHBondContact O-N 3.09Å; D262-G265 PolarHBondContact O-N 2.78Å; I263-G265 VanDerWaalsContact C-N 3.25Å; I263-G265 PolarHBondContact O-N 3.09Å
266L96.4Very high95.6Very high7 Ų747.4 Ų47.44%0.03725%0.249CC..  trans-73.5145.9-175.8-58.6176.5000112.8F218 F220 V232 T245 F249 A261 A264 R282F218-L266 HydrophobicContact CD2-CD2 4.31Å; F220-L266 HydrophobicContact CD2-CD1 4.5Å; F220-L266 HydrophobicContact CE2-CD1 3.8Å; F220-L266 HydrophobicContact CE2-CD2 4.17Å; F220-L266 HydrophobicContact CE2-CG 4.48Å; V232-L266 HydrophobicContact CG1-CD2 4.33Å; T245-L266 VanDerWaalsContact OG1-CA 3.29Å; T245-L266 WeakPolarHBondContact OG1-CA 3.36Å; F249-L266 HydrophobicContact CE2-CD1 4.33Å; F249-L266 HydrophobicContact CZ-CD1 4.45Å; A261-L266 HydrophobicContact CB-CB 4.12Å; A261-L266 HydrophobicContact CB-CD1 3.87Å; A261-L266 HydrophobicContact CB-CG 4.3Å; A261-L266 PolarHBondContact O-N 3.15Å; A264-L266 HydrophobicContact CB-CD2 3.98Å; A264-L266 HydrophobicContact CB-CG 3.87Å; L266-R282 VanDerWaalsContact O-CD 3.26Å; L266-R282 WeakPolarHBondContact O-CD 3.44Å; L266-R282 PolarHBondContact O-NE 3.17Å
267D97Very high95.5Very high57 Ų5744.1 Ų44.131%0.30523%0.234SC..SBendtrans-89.3-38172.5-62.4-87000112.1K244 T245K244-D267 WeakPolarHBondContact CA-OD2 3.42Å; K244-D267 HydrophobicContact CB-CB 4.1Å; K244-D267 HydrophobicContact CD-CB 4.03Å; K244-D267 WeakPolarHBondContact CD-OD1 3.32Å; K244-D267 IonicContact NZ-OD1 3.39Å; T245-D267 PolarHBondContact N-OD2 2.9Å; T245-D267 WeakPolarHBondContact O-CB 3.44Å; T245-D267 PolarHBondContact O-N 2.7Å; T245-D267 PolarHBondContact OG1-N 3.38Å; T245-D267 PolarHBondContact OG1-OD2 2.88Å
268L98.2Very high95.1Very high12 Ų1247.2 Ų47.26%0.06325%0.253CS..EExtended strand (participates in β ladder)trans-133.5159.2-179.8-57.696.3000111.9Y215 K244 T245 V246 G247 P283 I285 W337Y215-L268 HydrophobicContact CD1-CD1 4.05Å; Y215-L268 HydrophobicContact CE1-CD1 3.82Å; K244-L268 HydrophobicContact CB-CD1 3.94Å; T245-L268 PolarHBondContact O-N 3.1Å; V246-L268 WeakPolarHBondContact CA-O 3.42Å; V246-L268 HydrophobicContact CG1-CB 4.46Å; V246-L268 HydrophobicContact CG2-CB 4.24Å; V246-L268 HydrophobicContact CG2-CD1 4.24Å; G247-L268 PolarHBondContact N-O 2.91Å; L268-P283 HydrophobicContact CD2-CB 4.27Å; L268-I285 HydrophobicContact CB-CD1 4.24Å; L268-I285 HydrophobicContact CB-CG1 4.46Å; L268-I285 HydrophobicContact CD2-CD1 4.09Å; L268-I285 HydrophobicContact CD2-CG1 4.1Å; L268-W337 HydrophobicContact CD2-CZ2 4.39Å
269V98.2Very high94.8Very high1 Ų153.8 Ų53.81%0.00628%0.281CS..EExtended strand (participates in β ladder)trans-121.2124.1175175.40000109.5F249 V257 A261 I271 L280 R282 P283 I284 I285F249-V269 HydrophobicContact CD2-CG1 3.72Å; F249-V269 HydrophobicContact CE2-CG1 3.91Å; V257-V269 HydrophobicContact CG1-CB 4.22Å; V257-V269 HydrophobicContact CG1-CG1 3.48Å; V257-V269 VanDerWaalsContact CG1-CG1 3.48Å; V257-V269 HydrophobicContact CG1-CG2 3.69Å; A261-V269 HydrophobicContact CB-CG2 4.49Å; V269-I271 HydrophobicContact CG1-CD1 4.19Å; V269-I271 HydrophobicContact CG1-CG1 3.74Å; V269-L280 HydrophobicContact CB-CD1 4.1Å; V269-L280 HydrophobicContact CG1-CD1 3.87Å; V269-L280 HydrophobicContact CG2-CD1 4.21Å; V269-R282 HydrophobicContact CG2-CB 4.25Å; V269-P283 PolarHBondContact N-O 3.11Å; V269-I284 CarbonylContact O-C 3.55Å; V269-I284 WeakPolarHBondContact O-CA 3.25Å; V269-I285 PolarHBondContact O-N 2.9Å
270Q97.9Very high94.7Very high8 Ų848.5 Ų48.54%0.03726%0.259CS..EExtended strand (participates in β ladder)trans-100.8125.4171.1-179.2177.2-22.700111.1V246 G247 V248 F249 H272 I285 A287V246-Q270 HydrophobicContact CG1-CB 3.77Å; G247-Q270 PolarHBondContact O-N 3.4Å; V248-Q270 HydrophobicContact CG2-CB 4.3Å; F249-Q270 PolarHBondContact N-O 2.87Å; Q270-H272 PolarHBondContact NE2-NE2 2.83Å; Q270-I285 CarbonylContact C-O 3.59Å; Q270-I285 VanDerWaalsContact CA-O 3.27Å; Q270-I285 WeakPolarHBondContact CA-O 3.48Å; Q270-I285 HydrophobicContact CB-CB 4.09Å; Q270-I285 HydrophobicContact CB-CD1 4.47Å; Q270-I285 HydrophobicContact CG-CB 4.27Å; Q270-I285 HydrophobicContact CG-CG2 4.34Å; Q270-A287 HydrophobicContact CG-CB 4.24Å
271I96.4Very high94.7Very high0 Ų051.3 Ų51.30%028%0.28CS..EExtended strand (participates in β ladder)trans-118.3117.2-177.5-52.6176.8000111P252 V269 T275 L277 L280 I284 I285 R286 A287P252-I271 HydrophobicContact CG-CG2 4.16Å; V269-I271 HydrophobicContact CG1-CD1 4.19Å; V269-I271 HydrophobicContact CG1-CG1 3.74Å; I271-T275 HydrophobicContact CG2-CG2 3.66Å; I271-L277 HydrophobicContact CD1-CB 4.15Å; I271-L277 HydrophobicContact CD1-CD1 4.14Å; I271-L280 HydrophobicContact CD1-CD1 4.21Å; I271-I284 HydrophobicContact CD1-CG2 3.97Å; I271-I284 HydrophobicContact CG1-CG2 4.25Å; I271-I285 PolarHBondContact N-O 2.79Å; I271-R286 PolarHBondContact O-NH1 3.28Å; I271-A287 PolarHBondContact O-N 3.14Å
272H93.5Very high94.6Very high47 Ų4753.3 Ų53.322%0.21829%0.287CS..EExtended strand (participates in β ladder)trans-96.3167.5169.2-73.1-98.7000111.8F249 V250 S251 Q270 A287F249-H272 PolarHBondContact O-N 3.04Å; V250-H272 HydrophobicContact CG2-CB 4.03Å; S251-H272 PolarHBondContact N-O 3.06Å; Q270-H272 PolarHBondContact NE2-NE2 2.83Å; H272-A287 HydrophobicContact CB-CB 4.49Å; H272-A287 VanDerWaalsContact CE1-CB 3.41Å; H272-A287 WeakPolarHBondContact CE1-CB 3.44Å; H272-A287 WeakPolarHBondContact ND1-CB 3.27Å
273G91.5Very high94.5Very high39 Ų3951.6 Ų51.640%0.40228%0.281SS..SBendtrans71.9-158.1173.500000113.5S251 R286S251-G273 WeakPolarHBondContact OG-CA 3.48Å; G273-R286 VanDerWaalsContact O-CZ 3.24Å; G273-R286 PolarHBondContact O-NH1 2.81Å; G273-R286 PolarHBondContact O-NH2 3.44Å
274K89.2Confident94.5Very high189 Ų18949.3 Ų49.382%0.82227%0.269SS*.SBendtrans-81.9129-177-66.5-177.7-179.2179.60110.2S251S251-K274 VanDerWaalsContact CA-O 3.25Å; S251-K274 WeakPolarHBondContact CA-O 3.29Å; S251-K274 WeakPolarHBondContact CB-O 3.2Å; S251-K274 PolarHBondContact OG-N 3.09Å; S251-K274 PolarHBondContact OG-O 2.85Å
275T89.1Confident94.7Very high26 Ų2649.3 Ų49.316%0.1627%0.269CS..  trans-155.9147.7175.9-1700000111I271 L277I271-T275 HydrophobicContact CG2-CG2 3.66Å; T275-L277 WeakPolarHBondContact OG1-CB 3.42Å; T275-L277 VanDerWaalsContact OG1-CG 3.29Å; T275-L277 WeakPolarHBondContact OG1-CG 3.25Å; T275-L277 PolarHBondContact OG1-N 3.24Å; T275-L277 VanDerWaalsContact OG1-N 3.09Å
276N88.9Confident94.7Very high161 Ų16149.3 Ų49.386%0.86126%0.261SS*.  trans-104.85.9167.8-65.7-17.8000111.4T278N276-T278 PolarHBondContact O-N 2.82Å
277L92.9Very high94.6Very high24 Ų2449 Ų4913%0.12626%0.26CS..  trans-74.8113.7-177.7-60.3178.3000109.8P252 Q254 V257 I271 T275 Y301P252-L277 HydrophobicContact CG-CD1 4.24Å; Q254-L277 HydrophobicContact CB-CD2 3.69Å; Q254-L277 HydrophobicContact CG-CD2 4.41Å; V257-L277 HydrophobicContact CG2-CD1 4.46Å; I271-L277 HydrophobicContact CD1-CB 4.15Å; I271-L277 HydrophobicContact CD1-CD1 4.14Å; T275-L277 WeakPolarHBondContact OG1-CB 3.42Å; T275-L277 VanDerWaalsContact OG1-CG 3.29Å; T275-L277 WeakPolarHBondContact OG1-CG 3.25Å; T275-L277 PolarHBondContact OG1-N 3.24Å; T275-L277 VanDerWaalsContact OG1-N 3.09Å; L277-Y301 WeakPolarHBondContact O-CE1 3.1Å
278T91.1Very high94.3Very high64 Ų6446.7 Ų46.739%0.39325%0.247SC..  trans-113.9-13.8178.358.70000112.7N276 Q300N276-T278 PolarHBondContact O-N 2.82Å; T278-Q300 HydrophobicContact CG2-CG 4.04Å
279K92.2Very high93.8Very high171 Ų17147.9 Ų47.974%0.74326%0.256SS*.  trans-141.5131.3-179.3-169.9176-178.2-179.70110.4
280L95.8Very high93.1Very high22 Ų2249.2 Ų49.212%0.11526%0.264CS..  trans-136173.9172.8-66.4177.7000108.5Q254 V257 E258 V269 I271 R282 I284Q254-L280 HydrophobicContact CG-CD2 3.81Å; V257-L280 HydrophobicContact CB-CD1 4.35Å; V257-L280 HydrophobicContact CG1-CD1 3.61Å; E258-L280 HydrophobicContact CG-CD2 4.3Å; E258-L280 VanDerWaalsContact OE1-CA 3.25Å; E258-L280 WeakPolarHBondContact OE1-CA 3.38Å; E258-L280 WeakPolarHBondContact OE1-CB 3.17Å; E258-L280 WeakPolarHBondContact OE1-CD2 3.36Å; V269-L280 HydrophobicContact CB-CD1 4.1Å; V269-L280 HydrophobicContact CG1-CD1 3.87Å; V269-L280 HydrophobicContact CG2-CD1 4.21Å; I271-L280 HydrophobicContact CD1-CD1 4.21Å; L280-R282 PolarHBondContact O-N 2.9Å; L280-I284 HydrophobicContact CB-CD1 4.31Å; L280-I284 HydrophobicContact CB-CG1 4.33Å; L280-I284 HydrophobicContact CD1-CD1 4.02Å; L280-I284 HydrophobicContact CD1-CG1 4.03Å; L280-I284 HydrophobicContact CG-CD1 3.83Å; L280-I284 HydrophobicContact CG-CG1 4.19Å
281S96.4Very high92.4Very high79 Ų7958.1 Ų58.155%0.55230%0.303SS*.SBendtrans-61.1-20.3170.565.50000113.3E258E258-S281 PolarHBondContact OE1-N 2.81Å; E258-S281 WeakPolarHBondContact OE2-CB 3.32Å; E258-S281 PolarHBondContact OE2-OG 3.05Å
282R96.3Very high91.7Very high41 Ų4161.7 Ų61.716%0.15532%0.322CS..SBendtrans-122.9152.8-176.3-68.3159.6178.892.6-3.7111.2E258 A261 D262 L266 V269 L280E258-R282 IonicContact OE2-NH1 3.01Å; A261-R282 VanDerWaalsContact C-CZ 3.49Å; A261-R282 VanDerWaalsContact C-NH2 3.25Å; A261-R282 VanDerWaalsContact CB-CZ 3.44Å; A261-R282 PolarHBondContact O-NH2 2.91Å; D262-R282 IonicContact OD1-CZ 3.22Å; D262-R282 VanDerWaalsContact OD1-CZ 3.23Å; D262-R282 IonicContact OD1-NH1 2.65Å; D262-R282 PolarHBondContact OD1-NH1 2.76Å; D262-R282 IonicContact OD1-NH2 2.7Å; D262-R282 PolarHBondContact OD1-NH2 3.42Å; L266-R282 VanDerWaalsContact O-CD 3.26Å; L266-R282 WeakPolarHBondContact O-CD 3.44Å; L266-R282 PolarHBondContact O-NE 3.17Å; V269-R282 HydrophobicContact CG2-CB 4.25Å; L280-R282 PolarHBondContact O-N 2.9Å
283P97.3Very high90.9Very high57 Ų5760.1 Ų60.137%0.3732%0.315SS..  trans-54.9138.4174-25.435000112.7L268 V269L268-P283 HydrophobicContact CD2-CB 4.27Å; V269-P283 PolarHBondContact N-O 3.11Å
284I97.4Very high90.2Very high5 Ų567.6 Ų67.63%0.02634%0.336CS..EExtended strand (participates in β ladder)trans-100.8128-178.7-52.7-179.4000110.2V269 I271 L280 Y301 S302 H303V269-I284 CarbonylContact O-C 3.55Å; V269-I284 WeakPolarHBondContact O-CA 3.25Å; I271-I284 HydrophobicContact CD1-CG2 3.97Å; I271-I284 HydrophobicContact CG1-CG2 4.25Å; L280-I284 HydrophobicContact CB-CD1 4.31Å; L280-I284 HydrophobicContact CB-CG1 4.33Å; L280-I284 HydrophobicContact CD1-CD1 4.02Å; L280-I284 HydrophobicContact CD1-CG1 4.03Å; L280-I284 HydrophobicContact CG-CD1 3.83Å; L280-I284 HydrophobicContact CG-CG1 4.19Å; I284-Y301 HydrophobicContact CB-CD1 4.12Å; I284-Y301 HydrophobicContact CG2-CD1 3.84Å; I284-Y301 HydrophobicContact CG2-CE1 4.19Å; I284-S302 PolarHBondContact O-N 3.23Å; I284-H303 PolarHBondContact O-N 3.33Å
285I97.2Very high89.6Confident0 Ų064 Ų640%033%0.33CS..EExtended strand (participates in β ladder)trans-96105.3163.2-47.2173.6000107.6V246 L268 V269 Q270 I271 A287 H303 L305 W337V246-I285 HydrophobicContact CG1-CD1 3.74Å; V246-I285 HydrophobicContact CG2-CD1 4.29Å; L268-I285 HydrophobicContact CB-CD1 4.24Å; L268-I285 HydrophobicContact CB-CG1 4.46Å; L268-I285 HydrophobicContact CD2-CD1 4.09Å; L268-I285 HydrophobicContact CD2-CG1 4.1Å; V269-I285 PolarHBondContact O-N 2.9Å; Q270-I285 CarbonylContact C-O 3.59Å; Q270-I285 VanDerWaalsContact CA-O 3.27Å; Q270-I285 WeakPolarHBondContact CA-O 3.48Å; Q270-I285 HydrophobicContact CB-CB 4.09Å; Q270-I285 HydrophobicContact CB-CD1 4.47Å; Q270-I285 HydrophobicContact CG-CB 4.27Å; Q270-I285 HydrophobicContact CG-CG2 4.34Å; I271-I285 PolarHBondContact N-O 2.79Å; I285-A287 PolarHBondContact O-N 3.28Å; I285-H303 WeakPolarHBondContact CA-O 3.41Å; I285-H303 HydrophobicContact CB-CB 4.23Å; I285-H303 HydrophobicContact CG1-CB 3.97Å; I285-H303 HydrophobicContact CG2-CB 4.11Å; I285-L305 HydrophobicContact CG2-CB 3.66Å; I285-L305 HydrophobicContact CG2-CD1 4.48Å; I285-W337 HydrophobicContact CD1-CD2 4.23Å; I285-W337 HydrophobicContact CD1-CE3 3.97Å; I285-W337 HydrophobicContact CD1-CH2 3.48Å; I285-W337 VanDerWaalsContact CD1-CH2 3.48Å; I285-W337 HydrophobicContact CD1-CZ2 3.78Å; I285-W337 HydrophobicContact CD1-CZ3 3.6Å; I285-W337 HydrophobicContact CG1-CZ2 4.44Å; I285-W337 HydrophobicContact CG2-CD2 4.39Å; I285-W337 HydrophobicContact CG2-CG 4.47Å
286R95.4Very high88.9Confident26 Ų2663.7 Ų63.710%0.09833%0.328CS..EExtended strand (participates in β ladder)trans-83.6109.3178177.660.6-174.7140-1.3110I271 G273 V296 Y301 H303 L304 L305I271-R286 PolarHBondContact O-NH1 3.28Å; G273-R286 VanDerWaalsContact O-CZ 3.24Å; G273-R286 PolarHBondContact O-NH1 2.81Å; G273-R286 PolarHBondContact O-NH2 3.44Å; R286-V296 HydrophobicContact CG-CG1 4.02Å; R286-Y301 HydrophobicContact CB-CD1 3.8Å; R286-Y301 HydrophobicContact CB-CD2 3.64Å; R286-Y301 HydrophobicContact CB-CE1 4.07Å; R286-Y301 HydrophobicContact CB-CE2 3.93Å; R286-Y301 HydrophobicContact CB-CG 3.57Å; R286-Y301 HydrophobicContact CG-CD1 4.5Å; R286-Y301 HydrophobicContact CG-CD2 3.88Å; R286-Y301 HydrophobicContact CG-CE1 4.32Å; R286-Y301 HydrophobicContact CG-CE2 3.69Å; R286-Y301 HydrophobicContact CG-CG 4.28Å; R286-H303 PolarHBondContact N-O 3.42Å; R286-L304 HydrophobicContact CB-CD2 4.11Å; R286-L304 WeakPolarHBondContact O-CA 3.34Å; R286-L305 PolarHBondContact O-N 3.11Å
287A94.5Very high88.4Confident1 Ų159.6 Ų59.61%0.00831%0.311CS..EExtended strand (participates in β ladder)trans-82.9137.2175.400000111.4Q270 I271 H272 I285 L305Q270-A287 HydrophobicContact CG-CB 4.24Å; I271-A287 PolarHBondContact O-N 3.14Å; H272-A287 HydrophobicContact CB-CB 4.49Å; H272-A287 VanDerWaalsContact CE1-CB 3.41Å; H272-A287 WeakPolarHBondContact CE1-CB 3.44Å; H272-A287 WeakPolarHBondContact ND1-CB 3.27Å; I285-A287 PolarHBondContact O-N 3.28Å; A287-L305 CarbonylContact C-O 3.56Å; A287-L305 VanDerWaalsContact CA-O 3.29Å; A287-L305 WeakPolarHBondContact CA-O 3.23Å; A287-L305 HydrophobicContact CB-CB 4.25Å; A287-L305 HydrophobicContact CB-CD2 3.83Å
288F91.3Very high87.9Confident8 Ų859.6 Ų59.64%0.03531%0.31CS..EExtended strand (participates in β ladder)trans-150.2150.1179.367.9-74.6000110.9D292 Q293 V296 F298 L304 L305 L306 D307 L331F288-D292 HydrophobicContact CB-CB 4.36Å; F288-Q293 HydrophobicContact CD2-CB 4.24Å; F288-Q293 HydrophobicContact CE2-CB 3.99Å; F288-Q293 HydrophobicContact CE2-CG 3.94Å; F288-V296 HydrophobicContact CB-CG2 3.89Å; F288-V296 HydrophobicContact CG-CG2 4.3Å; F288-F298 HydrophobicContact CD1-CE1 4.48Å; F288-F298 HydrophobicContact CE1-CE1 4.2Å; F288-F298 HydrophobicContact CE2-CE1 4.18Å; F288-F298 HydrophobicContact CE2-CZ 4.17Å; F288-F298 HydrophobicContact CZ-CE1 4.02Å; F288-F298 HydrophobicContact CZ-CZ 4.2Å; F288-L304 HydrophobicContact CE1-CB 3.95Å; F288-L305 WeakPolarHBondContact CD1-O 3.25Å; F288-L305 WeakPolarHBondContact CE1-O 3.27Å; F288-L305 PolarHBondContact N-O 3Å; F288-L306 HydrophobicContact CD2-CD1 4.19Å; F288-L306 HydrophobicContact CE1-CB 4.24Å; F288-L306 HydrophobicContact CE2-CD1 3.58Å; F288-L306 HydrophobicContact CZ-CB 3.95Å; F288-L306 HydrophobicContact CZ-CD1 3.85Å; F288-L306 HydrophobicContact CZ-CG 4.49Å; F288-D307 PolarHBondContact O-N 3.05Å; F288-L331 HydrophobicContact CE2-CD2 4.43Å; F288-L331 HydrophobicContact CZ-CD2 3.89Å
289S88Confident87.5Confident37 Ų3763.5 Ų63.526%0.25933%0.329SS..EExtended strand (participates in β ladder)trans-85.5163.6173.478.20000110.9K291 D292 Q293S289-K291 PolarHBondContact O-N 3.2Å; S289-K291 VanDerWaalsContact O-N 3.12Å; S289-K291 PolarHBondContact OG-N 3.42Å; S289-D292 PolarHBondContact O-N 2.87Å; S289-D292 PolarHBondContact OG-N 2.86Å; S289-D292 PolarHBondContact OG-OD2 3.01Å; S289-Q293 PolarHBondContact O-N 3.5Å
290V82.6Confident87.3Confident28 Ų2859.7 Ų59.717%0.1731%0.314CS..G310 helixtrans-51.9-35.6172.2-173.40000112.2D292 Q293 L306 L325 V326V290-D292 VanDerWaalsContact C-N 3.3Å; V290-D292 PolarHBondContact O-N 3.33Å; V290-Q293 WeakPolarHBondContact O-CB 3.29Å; V290-Q293 PolarHBondContact O-N 2.93Å; V290-L306 HydrophobicContact CG2-CD1 4.17Å; V290-L325 HydrophobicContact CG1-CB 4.29Å; V290-L325 WeakPolarHBondContact CG1-O 3.39Å; V290-V326 HydrophobicContact CB-CG2 4.47Å; V290-V326 HydrophobicContact CG1-CG2 3.94Å; V290-V326 HydrophobicContact CG2-CG2 3.71Å
291K82.5Confident87.1Confident196 Ų19659.3 Ų59.385%0.85231%0.311SS*.G310 helixtrans-68.9-29.1179.8-62.3-179.6-178.8177.40112.8S289S289-K291 PolarHBondContact O-N 3.2Å; S289-K291 VanDerWaalsContact O-N 3.12Å; S289-K291 PolarHBondContact OG-N 3.42Å
292D82.5Confident86.9Confident74 Ų7458.4 Ų58.440%0.39631%0.305SS..G310 helixtrans-92.1-4.7-177.3-56.7-51.9000112.5F288 S289 V290 K294 T295 V296F288-D292 HydrophobicContact CB-CB 4.36Å; S289-D292 PolarHBondContact O-N 2.87Å; S289-D292 PolarHBondContact OG-N 2.86Å; S289-D292 PolarHBondContact OG-OD2 3.01Å; V290-D292 VanDerWaalsContact C-N 3.3Å; V290-D292 PolarHBondContact O-N 3.33Å; D292-K294 PolarHBondContact O-N 3.31Å; D292-K294 VanDerWaalsContact O-N 3.07Å; D292-T295 PolarHBondContact O-N 3.42Å; D292-T295 PolarHBondContact O-OG1 3.27Å; D292-V296 WeakPolarHBondContact O-CG2 3.48Å; D292-V296 PolarHBondContact O-N 3.31Å
293Q77.5Confident86.8Confident14 Ų1458.7 Ų58.77%0.06531%0.307CS..THydrogen-bonded Turntrans-52-39.4-173.8-174.4178.38.500113.5F288 S289 V290 T295 F298 D327F288-Q293 HydrophobicContact CD2-CB 4.24Å; F288-Q293 HydrophobicContact CE2-CB 3.99Å; F288-Q293 HydrophobicContact CE2-CG 3.94Å; S289-Q293 PolarHBondContact O-N 3.5Å; V290-Q293 WeakPolarHBondContact O-CB 3.29Å; V290-Q293 PolarHBondContact O-N 2.93Å; Q293-T295 VanDerWaalsContact C-N 3.29Å; Q293-T295 PolarHBondContact O-N 3Å; Q293-F298 HydrophobicContact CG-CZ 3.99Å; Q293-F298 WeakPolarHBondContact O-CZ 3.46Å; Q293-D327 PolarHBondContact NE2-O 3.11Å
294K77Confident86.7Confident196 Ų19656 Ų5685%0.85229%0.29SS*.THydrogen-bonded Turntrans-76-13.3-177.8-63.4-175.9-179.8-178.90114D292D292-K294 PolarHBondContact O-N 3.31Å; D292-K294 VanDerWaalsContact O-N 3.07Å
295T75.5Confident86.6Confident113 Ų11355.8 Ų55.869%0.69329%0.289SS*.THydrogen-bonded Turntrans-101.1-13.9-175.766.30000113.1D292 Q293D292-T295 PolarHBondContact O-N 3.42Å; D292-T295 PolarHBondContact O-OG1 3.27Å; Q293-T295 VanDerWaalsContact C-N 3.29Å; Q293-T295 PolarHBondContact O-N 3Å
296V74.9Confident86.4Confident20 Ų2055.8 Ų55.812%0.12129%0.289CS..  trans-90.3118.9-175.9-175.60000110.9R286 F288 D292 F298 Y301R286-V296 HydrophobicContact CG-CG1 4.02Å; F288-V296 HydrophobicContact CB-CG2 3.89Å; F288-V296 HydrophobicContact CG-CG2 4.3Å; D292-V296 WeakPolarHBondContact O-CG2 3.48Å; D292-V296 PolarHBondContact O-N 3.31Å; V296-F298 HydrophobicContact CB-CD1 3.93Å; V296-F298 HydrophobicContact CB-CE1 3.55Å; V296-F298 HydrophobicContact CB-CZ 4.4Å; V296-F298 HydrophobicContact CG1-CD1 3.61Å; V296-F298 HydrophobicContact CG1-CE1 3.7Å; V296-F298 WeakPolarHBondContact O-CD1 3.19Å; V296-F298 PolarHBondContact O-N 2.9Å; V296-Y301 HydrophobicContact CG1-CE2 4.21Å
297C78.8Confident86.1Confident75 Ų7558 Ų5851%0.50730%0.302SS..  trans-74.7103.8166.7-1750000109.6Q300 Y301C297-Q300 WeakPolarHBondContact O-CG 3.27Å; C297-Q300 PolarHBondContact O-NE2 3.12Å; C297-Y301 WeakPolarHBondContact O-CD2 3.35Å; C297-Y301 WeakPolarHBondContact O-CE2 3.35Å
298F81.3Confident85.4Confident24 Ų2458 Ų5811%0.10530%0.303CS..G310 helixtrans-72.6-29.2-171.8-66.4-33.6000115F288 Q293 V296 Q300 Y301 L304 L331 K335F288-F298 HydrophobicContact CD1-CE1 4.48Å; F288-F298 HydrophobicContact CE1-CE1 4.2Å; F288-F298 HydrophobicContact CE2-CE1 4.18Å; F288-F298 HydrophobicContact CE2-CZ 4.17Å; F288-F298 HydrophobicContact CZ-CE1 4.02Å; F288-F298 HydrophobicContact CZ-CZ 4.2Å; Q293-F298 HydrophobicContact CG-CZ 3.99Å; Q293-F298 WeakPolarHBondContact O-CZ 3.46Å; V296-F298 HydrophobicContact CB-CD1 3.93Å; V296-F298 HydrophobicContact CB-CE1 3.55Å; V296-F298 HydrophobicContact CB-CZ 4.4Å; V296-F298 HydrophobicContact CG1-CD1 3.61Å; V296-F298 HydrophobicContact CG1-CE1 3.7Å; V296-F298 WeakPolarHBondContact O-CD1 3.19Å; V296-F298 PolarHBondContact O-N 2.9Å; F298-Q300 VanDerWaalsContact C-N 3.26Å; F298-Q300 PolarHBondContact O-N 3.27Å; F298-Y301 PolarHBondContact O-N 3.4Å; F298-L304 HydrophobicContact CB-CD1 3.71Å; F298-L304 HydrophobicContact CB-CD2 4.34Å; F298-L304 HydrophobicContact CD1-CD1 3.32Å; F298-L304 HydrophobicContact CD1-CD2 3.64Å; F298-L304 HydrophobicContact CD1-CG 4.11Å; F298-L304 HydrophobicContact CD2-CD1 4.19Å; F298-L304 HydrophobicContact CE1-CD1 3.96Å; F298-L304 HydrophobicContact CE1-CD2 4.43Å; F298-L304 HydrophobicContact CG-CD1 3.46Å; F298-L304 VanDerWaalsContact CG-CD1 3.46Å; F298-L304 HydrophobicContact CG-CD2 4.33Å; F298-L331 HydrophobicContact CZ-CD2 4.5Å; F298-K335 PolarHBondContact O-NZ 2.78Å
299N82.4Confident84.6Confident147 Ų14759.5 Ų59.579%0.78631%0.313SS*.G310 helixtrans-67.9-24.6-166.9-69-13.6000113.9Y301N299-Y301 VanDerWaalsContact C-N 3.35Å
300Q88.1Confident83.7Confident90 Ų9061 Ų6142%0.42132%0.323SS..G310 helixtrans-81-10.8-178.267.6-161.8-11.500114.5T278 C297 F298T278-Q300 HydrophobicContact CG2-CG 4.04Å; C297-Q300 WeakPolarHBondContact O-CG 3.27Å; C297-Q300 PolarHBondContact O-NE2 3.12Å; F298-Q300 VanDerWaalsContact C-N 3.26Å; F298-Q300 PolarHBondContact O-N 3.27Å
301Y91.7Very high82.9Confident15 Ų1560.3 Ų60.36%0.05932%0.32CS..  trans-105.7140.1-176.6-59.3-70.6000111.8L277 I284 R286 V296 C297 F298 N299 H303 L304 K335L277-Y301 WeakPolarHBondContact O-CE1 3.1Å; I284-Y301 HydrophobicContact CB-CD1 4.12Å; I284-Y301 HydrophobicContact CG2-CD1 3.84Å; I284-Y301 HydrophobicContact CG2-CE1 4.19Å; R286-Y301 HydrophobicContact CB-CD1 3.8Å; R286-Y301 HydrophobicContact CB-CD2 3.64Å; R286-Y301 HydrophobicContact CB-CE1 4.07Å; R286-Y301 HydrophobicContact CB-CE2 3.93Å; R286-Y301 HydrophobicContact CB-CG 3.57Å; R286-Y301 HydrophobicContact CG-CD1 4.5Å; R286-Y301 HydrophobicContact CG-CD2 3.88Å; R286-Y301 HydrophobicContact CG-CE1 4.32Å; R286-Y301 HydrophobicContact CG-CE2 3.69Å; R286-Y301 HydrophobicContact CG-CG 4.28Å; V296-Y301 HydrophobicContact CG1-CE2 4.21Å; C297-Y301 WeakPolarHBondContact O-CD2 3.35Å; C297-Y301 WeakPolarHBondContact O-CE2 3.35Å; F298-Y301 PolarHBondContact O-N 3.4Å; N299-Y301 VanDerWaalsContact C-N 3.35Å; Y301-H303 VanDerWaalsContact C-N 3.31Å; Y301-H303 PolarHBondContact O-N 2.98Å; Y301-L304 HydrophobicContact CD2-CD2 4.22Å; Y301-K335 PolarHBondContact O-NZ 3.49Å
302S92.2Very high81.6Confident60 Ų6057.2 Ų57.242%0.4231%0.306SS..SBendtrans-61.2-41.4175.8-51.40000111.5I284 K335I284-S302 PolarHBondContact O-N 3.23Å; S302-K335 WeakPolarHBondContact O-CB 3.34Å
303H95.3Very high80Confident46 Ų4659.4 Ų59.421%0.21332%0.317CS..EExtended strand (participates in β ladder)trans-140158.2178.5-55.3-61.1000111.4I284 I285 R286 Y301 W337I284-H303 PolarHBondContact O-N 3.33Å; I285-H303 WeakPolarHBondContact CA-O 3.41Å; I285-H303 HydrophobicContact CB-CB 4.23Å; I285-H303 HydrophobicContact CG1-CB 3.97Å; I285-H303 HydrophobicContact CG2-CB 4.11Å; R286-H303 PolarHBondContact N-O 3.42Å; Y301-H303 VanDerWaalsContact C-N 3.31Å; Y301-H303 PolarHBondContact O-N 2.98Å; H303-W337 AromaticContact CG-NE1 3.44Å; H303-W337 AromaticContact ND1-NE1 3.52Å
304L94.1Very high78.5Confident0 Ų065.4 Ų65.40%035%0.347CS..EExtended strand (participates in β ladder)trans-126.1133.3176.4-62.1179.6000109R286 F288 F298 Y301 P332 K335 W337R286-L304 HydrophobicContact CB-CD2 4.11Å; R286-L304 WeakPolarHBondContact O-CA 3.34Å; F288-L304 HydrophobicContact CE1-CB 3.95Å; F298-L304 HydrophobicContact CB-CD1 3.71Å; F298-L304 HydrophobicContact CB-CD2 4.34Å; F298-L304 HydrophobicContact CD1-CD1 3.32Å; F298-L304 HydrophobicContact CD1-CD2 3.64Å; F298-L304 HydrophobicContact CD1-CG 4.11Å; F298-L304 HydrophobicContact CD2-CD1 4.19Å; F298-L304 HydrophobicContact CE1-CD1 3.96Å; F298-L304 HydrophobicContact CE1-CD2 4.43Å; F298-L304 HydrophobicContact CG-CD1 3.46Å; F298-L304 VanDerWaalsContact CG-CD1 3.46Å; F298-L304 HydrophobicContact CG-CD2 4.33Å; Y301-L304 HydrophobicContact CD2-CD2 4.22Å; L304-P332 HydrophobicContact CD1-CG 3.36Å; L304-P332 HydrophobicContact CG-CG 4.39Å; L304-K335 PolarHBondContact N-O 2.92Å; L304-K335 VanDerWaalsContact N-O 3.07Å; L304-W337 WeakPolarHBondContact O-CA 3.47Å; L304-W337 WeakPolarHBondContact O-CB 3.32Å; L304-W337 PolarHBondContact O-N 2.94Å
305L94.9Very high76.5Confident1 Ų159.7 Ų59.71%0.00534%0.343CS..EExtended strand (participates in β ladder)trans-112.2113.6173.3-178.3145.4000109.7I285 R286 A287 F288 W337 A339 D360I285-L305 HydrophobicContact CG2-CB 3.66Å; I285-L305 HydrophobicContact CG2-CD1 4.48Å; R286-L305 PolarHBondContact O-N 3.11Å; A287-L305 CarbonylContact C-O 3.56Å; A287-L305 VanDerWaalsContact CA-O 3.29Å; A287-L305 WeakPolarHBondContact CA-O 3.23Å; A287-L305 HydrophobicContact CB-CB 4.25Å; A287-L305 HydrophobicContact CB-CD2 3.83Å; F288-L305 WeakPolarHBondContact CD1-O 3.25Å; F288-L305 WeakPolarHBondContact CE1-O 3.27Å; F288-L305 PolarHBondContact N-O 3Å; L305-W337 WeakPolarHBondContact CA-O 3.31Å; L305-W337 HydrophobicContact CB-CB 4.03Å; L305-W337 HydrophobicContact CD1-CB 4.23Å; L305-W337 HydrophobicContact CG-CB 4.25Å; L305-A339 HydrophobicContact CD1-CB 4.12Å; L305-A339 HydrophobicContact CD2-CB 3.72Å; L305-A339 HydrophobicContact CG-CB 4.02Å; L305-D360 HydrophobicContact CD1-CB 4.07Å
306L93.2Very high75Confident0 Ų058 Ų580%035%0.349CS..EExtended strand (participates in β ladder)trans-84.6114.7171.4176.366.1000108.6F288 V290 A308 V326 L331 L336 W337 L338 A339 F354F288-L306 HydrophobicContact CD2-CD1 4.19Å; F288-L306 HydrophobicContact CE1-CB 4.24Å; F288-L306 HydrophobicContact CE2-CD1 3.58Å; F288-L306 HydrophobicContact CZ-CB 3.95Å; F288-L306 HydrophobicContact CZ-CD1 3.85Å; F288-L306 HydrophobicContact CZ-CG 4.49Å; V290-L306 HydrophobicContact CG2-CD1 4.17Å; L306-A308 HydrophobicContact CD2-CB 4.37Å; L306-A308 HydrophobicContact CG-CB 4.29Å; L306-A308 PolarHBondContact O-N 2.75Å; L306-V326 HydrophobicContact CD2-CG1 3.67Å; L306-V326 HydrophobicContact CD2-CG2 4.12Å; L306-L331 HydrophobicContact CD2-CD1 4.25Å; L306-L336 HydrophobicContact CB-CD1 4.13Å; L306-W337 PolarHBondContact N-O 3.04Å; L306-L338 HydrophobicContact CB-CD1 4.36Å; L306-L338 HydrophobicContact CD2-CD1 4.07Å; L306-L338 HydrophobicContact CG-CD1 4.35Å; L306-A339 PolarHBondContact O-N 2.74Å; L306-F354 HydrophobicContact CD2-CD1 4.32Å; L306-F354 HydrophobicContact CD2-CE1 3.93Å; L306-F354 HydrophobicContact CD2-CZ 4.38Å
307D89.7Confident73.5Confident72 Ų7265.1 Ų65.139%0.38539%0.386SS..EExtended strand (participates in β ladder)trans-83.892.5167.4-169.36.2000108.5F288 G340F288-D307 PolarHBondContact O-N 3.05Å; D307-G340 WeakPolarHBondContact OD1-CA 3.26Å
308A80.7Confident71.5Confident3 Ų364.7 Ų64.73%0.02540%0.395CS..PPolyproline II helixtrans-86.7143.6-176.900000110.6L306 L338 A339 G340 F354L306-A308 HydrophobicContact CD2-CB 4.37Å; L306-A308 HydrophobicContact CG-CB 4.29Å; L306-A308 PolarHBondContact O-N 2.75Å; A308-L338 HydrophobicContact CB-CD1 3.87Å; A308-A339 PolarHBondContact N-O 3.14Å; A308-G340 CarbonylContact O-C 3.38Å; A308-G340 VanDerWaalsContact O-CA 3.22Å; A308-G340 WeakPolarHBondContact O-CA 3.18Å; A308-F354 HydrophobicContact CB-CE2 4.45Å; A308-F354 HydrophobicContact CB-CZ 4.3Å
309P74.5Confident69.4Low38 Ų3873.7 Ų73.725%0.24743%0.428CS..PPolyproline II helixtrans-58147.317125.6-34000110.7A311 D322 W323P309-A311 PolarHBondContact O-N 2.76Å; P309-D322 HydrophobicContact CB-CB 3.83Å; P309-D322 HydrophobicContact CG-CB 3.5Å; P309-W323 VanDerWaalsContact O-CD1 3.28Å; P309-W323 PolarHBondContact O-NE1 2.79Å
310P67.9Low67.4Low70 Ų7070.3 Ų70.346%0.45541%0.412SS..PPolyproline II helixtrans-56.2137.717420.2-29.5000110.4K312P310-K312 PolarHBondContact O-N 2.77Å
311A66Low65.7Low13 Ų1368.8 Ų68.811%0.10740%0.404CS..PPolyproline II helixtrans-65123.9166.700000109.3P309 L313 F321 W323P309-A311 PolarHBondContact O-N 2.76Å; A311-L313 PolarHBondContact O-N 2.96Å; A311-F321 HydrophobicContact CB-CE2 4.37Å; A311-W323 HydrophobicContact CB-CD2 4.31Å; A311-W323 HydrophobicContact CB-CH2 3.83Å; A311-W323 HydrophobicContact CB-CZ2 3.46Å; A311-W323 VanDerWaalsContact CB-CZ2 3.46Å; A311-W323 HydrophobicContact CB-CZ3 4.47Å
312K55.7Low64.7Low131 Ų13170 Ų7057%0.5741%0.412SS*.  trans-82.2108.1161.7-70.4-178.3-178.31750107.5P310 M314P310-K312 PolarHBondContact O-N 2.77Å; K312-M314 PolarHBondContact O-N 3.45Å
313L49Very low64.2Low120 Ų12067.2 Ų67.263%0.62839%0.392SS*.  trans-63106.2167.8-76.8161.3000108.3A311A311-L313 PolarHBondContact O-N 2.96Å
314M44.4Very low63.4Low140 Ų14071 Ų7169%0.6941%0.41SS*.  trans-124.8112.5164.9-74.1-159.972.700109K312K312-M314 PolarHBondContact O-N 3.45Å
315G35.7Very low62.6Low75 Ų7577 Ų7777%0.77344%0.442SS*.  trans-73.9172.8-172.800000115.7N317G315-N317 PolarHBondContact O-N 2.98Å
316G44Very low61.9Low79 Ų7977.3 Ų77.381%0.81444%0.444SS*.SBendtrans74.9-63.3154.200000117.6
317N43.9Very low61.3Low169 Ų16979.9 Ų79.990%0.90446%0.457SS*.SBendtrans-152.243.7-157.7-78.6-39.4000116.3G315G315-N317 PolarHBondContact O-N 2.98Å
318G36.3Very low61Low66 Ų6679 Ų7968%0.6845%0.451SS*.  trans12094.6152.900000118
319R37.1Very low61Low213 Ų21385.8 Ų85.880%0.80449%0.487SS*.  trans63.4117.4152-55.1-178.1-178176.20.3116.1
320T41.2Very low61.2Low75 Ų7590 Ų9046%0.4650%0.503SS..  -147.512575.131.10000111.9
321F52.4Low61.9Low58 Ų5887.1 Ų87.125%0.25448%0.483SS..  trans-112.198.5172.5-167.4-105.6000107A311 W323 Q324 Y353A311-F321 HydrophobicContact CB-CE2 4.37Å; F321-W323 HydrophobicContact CD1-CB 3.67Å; F321-W323 HydrophobicContact CD1-CE3 4.33Å; F321-W323 HydrophobicContact CD1-CG 4.33Å; F321-W323 HydrophobicContact CE1-CB 3.56Å; F321-W323 AromaticContact CE1-CD2 3.85Å; F321-W323 HydrophobicContact CE1-CD2 3.85Å; F321-W323 AromaticContact CE1-CE3 3.3Å; F321-W323 HydrophobicContact CE1-CE3 3.3Å; F321-W323 HydrophobicContact CE1-CG 4.02Å; F321-W323 HydrophobicContact CE1-CZ3 4.12Å; F321-W323 HydrophobicContact CE2-CD2 4.44Å; F321-W323 AromaticContact CE2-CE3 3.84Å; F321-W323 HydrophobicContact CE2-CE3 3.84Å; F321-W323 AromaticContact CE2-CZ3 3.93Å; F321-W323 HydrophobicContact CE2-CZ3 3.93Å; F321-W323 HydrophobicContact CZ-CB 4.43Å; F321-W323 AromaticContact CZ-CD2 3.83Å; F321-W323 HydrophobicContact CZ-CD2 3.83Å; F321-W323 AromaticContact CZ-CE3 3Å; F321-W323 HydrophobicContact CZ-CE3 3Å; F321-W323 HydrophobicContact CZ-CG 4.44Å; F321-W323 HydrophobicContact CZ-CH2 4.43Å; F321-W323 AromaticContact CZ-CZ3 3.34Å; F321-W323 HydrophobicContact CZ-CZ3 3.34Å; F321-W323 PolarHBondContact O-N 2.94Å; F321-Q324 HydrophobicContact CB-CG 4.38Å; F321-Q324 HydrophobicContact CD1-CG 4.11Å; F321-Q324 WeakPolarHBondContact O-CB 3.44Å; F321-Q324 PolarHBondContact O-N 2.82Å; F321-Y353 HydrophobicContact CD1-CE2 4.45Å; F321-Y353 HydrophobicContact CE1-CD1 4.15Å; F321-Y353 AromaticContact CE1-CD2 3.71Å; F321-Y353 HydrophobicContact CE1-CD2 3.71Å; F321-Y353 HydrophobicContact CE1-CE1 4.22Å; F321-Y353 AromaticContact CE1-CE2 3.79Å; F321-Y353 HydrophobicContact CE1-CE2 3.79Å; F321-Y353 AromaticContact CE1-CG 3.9Å; F321-Y353 HydrophobicContact CE1-CG 3.9Å; F321-Y353 HydrophobicContact CZ-CD2 4.28Å; F321-Y353 HydrophobicContact CZ-CG 4.34Å
322D71.2Confident62.9Low41 Ų4187.4 Ų87.422%0.21948%0.484CS..G310 helixtrans-60.6-19.9-170.6-71.1-25.6000112.9P309 Q324 L325P309-D322 HydrophobicContact CB-CB 3.83Å; P309-D322 HydrophobicContact CG-CB 3.5Å; D322-Q324 PolarHBondContact O-N 2.92Å; D322-L325 VanDerWaalsContact O-CB 3.32Å; D322-L325 WeakPolarHBondContact O-CB 3.38Å; D322-L325 WeakPolarHBondContact O-CG 3.42Å; D322-L325 PolarHBondContact O-N 3.1Å; D322-L325 VanDerWaalsContact O-N 3.16Å
323W80.4Confident64.4Low1 Ų184.2 Ų84.20%0.00447%0.47CS..G310 helixtrans-66-20.9174.5-58.5-14.8000114.1P309 A311 F321 L325 V326 E349 A350 Y353 F354P309-W323 VanDerWaalsContact O-CD1 3.28Å; P309-W323 PolarHBondContact O-NE1 2.79Å; A311-W323 HydrophobicContact CB-CD2 4.31Å; A311-W323 HydrophobicContact CB-CH2 3.83Å; A311-W323 HydrophobicContact CB-CZ2 3.46Å; A311-W323 VanDerWaalsContact CB-CZ2 3.46Å; A311-W323 HydrophobicContact CB-CZ3 4.47Å; F321-W323 HydrophobicContact CD1-CB 3.67Å; F321-W323 HydrophobicContact CD1-CE3 4.33Å; F321-W323 HydrophobicContact CD1-CG 4.33Å; F321-W323 HydrophobicContact CE1-CB 3.56Å; F321-W323 AromaticContact CE1-CD2 3.85Å; F321-W323 HydrophobicContact CE1-CD2 3.85Å; F321-W323 AromaticContact CE1-CE3 3.3Å; F321-W323 HydrophobicContact CE1-CE3 3.3Å; F321-W323 HydrophobicContact CE1-CG 4.02Å; F321-W323 HydrophobicContact CE1-CZ3 4.12Å; F321-W323 HydrophobicContact CE2-CD2 4.44Å; F321-W323 AromaticContact CE2-CE3 3.84Å; F321-W323 HydrophobicContact CE2-CE3 3.84Å; F321-W323 AromaticContact CE2-CZ3 3.93Å; F321-W323 HydrophobicContact CE2-CZ3 3.93Å; F321-W323 HydrophobicContact CZ-CB 4.43Å; F321-W323 AromaticContact CZ-CD2 3.83Å; F321-W323 HydrophobicContact CZ-CD2 3.83Å; F321-W323 AromaticContact CZ-CE3 3Å; F321-W323 HydrophobicContact CZ-CE3 3Å; F321-W323 HydrophobicContact CZ-CG 4.44Å; F321-W323 HydrophobicContact CZ-CH2 4.43Å; F321-W323 AromaticContact CZ-CZ3 3.34Å; F321-W323 HydrophobicContact CZ-CZ3 3.34Å; F321-W323 PolarHBondContact O-N 2.94Å; W323-L325 PolarHBondContact O-N 2.99Å; W323-V326 WeakPolarHBondContact O-CB 3.38Å; W323-V326 WeakPolarHBondContact O-CG2 3.38Å; W323-V326 PolarHBondContact O-N 3.05Å; W323-E349 HydrophobicContact CH2-CB 4.16Å; W323-E349 HydrophobicContact CZ3-CB 4.01Å; W323-A350 HydrophobicContact CH2-CB 3.36Å; W323-A350 VanDerWaalsContact CH2-N 3.32Å; W323-A350 HydrophobicContact CZ2-CB 3.73Å; W323-A350 HydrophobicContact CZ3-CB 3.92Å; W323-Y353 HydrophobicContact CB-CD1 3.86Å; W323-Y353 HydrophobicContact CB-CE1 3.59Å; W323-Y353 HydrophobicContact CD2-CD1 4.47Å; W323-Y353 AromaticContact CE3-CD1 3.91Å; W323-Y353 HydrophobicContact CE3-CD1 3.91Å; W323-Y353 AromaticContact CE3-CG 3.98Å; W323-Y353 HydrophobicContact CE3-CG 3.98Å; W323-Y353 HydrophobicContact CG-CD1 4.49Å; W323-F354 HydrophobicContact CB-CE1 4.47Å; W323-F354 HydrophobicContact CB-CE2 3.82Å; W323-F354 HydrophobicContact CB-CZ 3.49Å; W323-F354 VanDerWaalsContact CB-CZ 3.49Å; W323-F354 AromaticContact CD1-CE2 3.8Å; W323-F354 AromaticContact CD1-CZ 3.9Å; W323-F354 HydrophobicContact CD2-CD2 4.34Å; W323-F354 AromaticContact CD2-CE2 3.43Å; W323-F354 HydrophobicContact CD2-CE2 3.43Å; W323-F354 VanDerWaalsContact CD2-CE2 3.43Å; W323-F354 HydrophobicContact CD2-CZ 4.08Å; W323-F354 AromaticContact CE2-CE2 3.93Å; W323-F354 HydrophobicContact CE3-CD2 4.32Å; W323-F354 AromaticContact CE3-CE2 3.8Å; W323-F354 HydrophobicContact CE3-CE2 3.8Å; W323-F354 AromaticContact CG-CE2 3.4Å; W323-F354 HydrophobicContact CG-CE2 3.4Å; W323-F354 AromaticContact CG-CZ 3.53Å; W323-F354 HydrophobicContact CG-CZ 3.53Å
324Q78.1Confident66.3Low125 Ų12584.9 Ų84.958%0.58447%0.471SS*.G310 helixtrans-65-15.9173.3-73.5-178.7-14.400113.1F321 D322 V326F321-Q324 HydrophobicContact CB-CG 4.38Å; F321-Q324 HydrophobicContact CD1-CG 4.11Å; F321-Q324 WeakPolarHBondContact O-CB 3.44Å; F321-Q324 PolarHBondContact O-N 2.82Å; D322-Q324 PolarHBondContact O-N 2.92Å; Q324-V326 PolarHBondContact O-N 3.12Å
325L78.6Confident68.6Low128 Ų12879.5 Ų79.567%0.6744%0.443SS*.G310 helixtrans-74-12173.8-58.6176.3000112.6V290 D322 W323V290-L325 HydrophobicContact CG1-CB 4.29Å; V290-L325 WeakPolarHBondContact CG1-O 3.39Å; D322-L325 VanDerWaalsContact O-CB 3.32Å; D322-L325 WeakPolarHBondContact O-CB 3.38Å; D322-L325 WeakPolarHBondContact O-CG 3.42Å; D322-L325 PolarHBondContact O-N 3.1Å; D322-L325 VanDerWaalsContact O-N 3.16Å; W323-L325 PolarHBondContact O-N 2.99Å
326V80.9Confident71.4Confident7 Ų775.9 Ų75.94%0.04241%0.406CS..SBendtrans-86.8123.2179.8-174.20000110.2V290 L306 W323 Q324 Q328 L331 F354V290-V326 HydrophobicContact CB-CG2 4.47Å; V290-V326 HydrophobicContact CG1-CG2 3.94Å; V290-V326 HydrophobicContact CG2-CG2 3.71Å; L306-V326 HydrophobicContact CD2-CG1 3.67Å; L306-V326 HydrophobicContact CD2-CG2 4.12Å; W323-V326 WeakPolarHBondContact O-CB 3.38Å; W323-V326 WeakPolarHBondContact O-CG2 3.38Å; W323-V326 PolarHBondContact O-N 3.05Å; Q324-V326 PolarHBondContact O-N 3.12Å; V326-Q328 PolarHBondContact O-N 2.88Å; V326-L331 HydrophobicContact CG1-CD1 3.77Å; V326-F354 HydrophobicContact CB-CE1 3.83Å; V326-F354 HydrophobicContact CB-CZ 4.37Å; V326-F354 HydrophobicContact CG1-CE1 3.85Å; V326-F354 HydrophobicContact CG2-CE1 3.86Å; V326-F354 HydrophobicContact CG2-CZ 3.94Å
327D80.3Confident73.9Confident53 Ų5372.5 Ų72.528%0.28337%0.369SS..  trans-74.3107.4171.6176.314.1000109.9Q293 N329 H330Q293-D327 PolarHBondContact NE2-O 3.11Å; D327-N329 VanDerWaalsContact C-N 3.34Å; D327-N329 PolarHBondContact O-N 2.73Å; D327-N329 WeakPolarHBondContact OD1-CB 3.45Å; D327-N329 PolarHBondContact OD1-N 3.46Å; D327-N329 PolarHBondContact OD1-ND2 3.43Å; D327-H330 IonicContact OD2-CE1 3.82Å; D327-H330 IonicContact OD2-CG 3.33Å; D327-H330 IonicContact OD2-ND1 2.73Å; D327-H330 PolarHBondContact OD2-ND1 3.19Å
328Q81.9Confident76.3Confident54 Ų5464.4 Ų64.425%0.25233%0.326SS..G310 helixtrans-78.3-17-178.3-62.6-151.549.900114V326 H330 L331 Y353V326-Q328 PolarHBondContact O-N 2.88Å; Q328-H330 PolarHBondContact O-N 3.13Å; Q328-L331 PolarHBondContact O-N 2.7Å; Q328-Y353 PolarHBondContact NE2-O 3.36Å; Q328-Y353 VanDerWaalsContact NE2-O 3.13Å; Q328-Y353 PolarHBondContact OE1-O 3.2Å
329N81.1Confident79Confident145 Ų14561.5 Ų61.578%0.77530%0.295SS*.G310 helixtrans-66-27.2-169.1-66.4-36.9000113.3D327D327-N329 VanDerWaalsContact C-N 3.34Å; D327-N329 PolarHBondContact O-N 2.73Å; D327-N329 WeakPolarHBondContact OD1-CB 3.45Å; D327-N329 PolarHBondContact OD1-N 3.46Å; D327-N329 PolarHBondContact OD1-ND2 3.43Å
330H78.5Confident81.4Confident126 Ų12652 Ų5258%0.58326%0.264SS*.G310 helixtrans-108.74.5-175.1-59.895.6000113.5D327 Q328 P332D327-H330 IonicContact OD2-CE1 3.82Å; D327-H330 IonicContact OD2-CG 3.33Å; D327-H330 IonicContact OD2-ND1 2.73Å; D327-H330 PolarHBondContact OD2-ND1 3.19Å; Q328-H330 PolarHBondContact O-N 3.13Å; H330-P332 WeakPolarHBondContact O-CD 3.46Å
331L84Confident83.7Confident10 Ų1050 Ų505%0.05226%0.257CS..  trans-84.4119.3-179.8-70.5179.3000110.9F288 F298 L306 V326 Q328 K333 L336F288-L331 HydrophobicContact CE2-CD2 4.43Å; F288-L331 HydrophobicContact CZ-CD2 3.89Å; F298-L331 HydrophobicContact CZ-CD2 4.5Å; L306-L331 HydrophobicContact CD2-CD1 4.25Å; V326-L331 HydrophobicContact CG1-CD1 3.77Å; Q328-L331 PolarHBondContact O-N 2.7Å; L331-K333 PolarHBondContact O-N 2.75Å; L331-L336 HydrophobicContact CB-CD2 4.42Å; L331-L336 HydrophobicContact CD1-CD2 4.22Å; L331-L336 HydrophobicContact CD2-CD1 4.4Å
332P86.3Confident85.5Confident20 Ų2047.4 Ų47.413%0.1325%0.246CC..  trans-7594.6177.230.8-33.8000110.3L304 H330 E334 K335 L336L304-P332 HydrophobicContact CD1-CG 3.36Å; L304-P332 HydrophobicContact CG-CG 4.39Å; H330-P332 WeakPolarHBondContact O-CD 3.46Å; P332-E334 WeakPolarHBondContact CA-OE2 3.49Å; P332-E334 VanDerWaalsContact CB-OE1 3.23Å; P332-E334 WeakPolarHBondContact CB-OE1 3.23Å; P332-E334 PolarHBondContact O-N 3.38Å; P332-K335 HydrophobicContact CB-CD 4.3Å; P332-K335 HydrophobicContact CB-CG 3.89Å; P332-K335 HydrophobicContact CG-CD 4.12Å; P332-K335 HydrophobicContact CG-CG 3.75Å; P332-K335 PolarHBondContact O-N 3.11Å; P332-K335 VanDerWaalsContact O-N 3.13Å; P332-L336 WeakPolarHBondContact O-CB 3.37Å; P332-L336 PolarHBondContact O-N 2.88Å; P332-L336 VanDerWaalsContact O-N 3.11Å
333K86.3Confident86.5Confident63 Ų6347.2 Ų47.227%0.27425%0.247SC..G310 helixtrans-56.9-34.1-172.5-60.4-59.9-174.5175.70113.1L331 K335 L336 F354L331-K333 PolarHBondContact O-N 2.75Å; K333-K335 PolarHBondContact O-N 3.07Å; K333-L336 HydrophobicContact CD-CD2 4.13Å; K333-L336 PolarHBondContact O-N 3.2Å; K333-F354 WeakPolarHBondContact CD-O 3.37Å; K333-F354 WeakPolarHBondContact CE-O 3.27Å; K333-F354 PolarHBondContact NZ-O 3.08Å
334E89.5Confident86.9Confident135 Ų13549.2 Ų49.263%0.63126%0.261SS*.G310 helixtrans-63.3-22.5-17974.1-71.3171.100113.9P332P332-E334 WeakPolarHBondContact CA-OE2 3.49Å; P332-E334 VanDerWaalsContact CB-OE1 3.23Å; P332-E334 WeakPolarHBondContact CB-OE1 3.23Å; P332-E334 PolarHBondContact O-N 3.38Å
335K92.6Very high87.5Confident26 Ų2649.2 Ų49.211%0.11327%0.265CS..G310 helixtrans-126.811.3179.869.6-178.1-176.5174.50114.1F298 Y301 S302 L304 P332 K333F298-K335 PolarHBondContact O-NZ 2.78Å; Y301-K335 PolarHBondContact O-NZ 3.49Å; S302-K335 WeakPolarHBondContact O-CB 3.34Å; L304-K335 PolarHBondContact N-O 2.92Å; L304-K335 VanDerWaalsContact N-O 3.07Å; P332-K335 HydrophobicContact CB-CD 4.3Å; P332-K335 HydrophobicContact CB-CG 3.89Å; P332-K335 HydrophobicContact CG-CD 4.12Å; P332-K335 HydrophobicContact CG-CG 3.75Å; P332-K335 PolarHBondContact O-N 3.11Å; P332-K335 VanDerWaalsContact O-N 3.13Å; K333-K335 PolarHBondContact O-N 3.07Å
336L94.4Very high88.1Confident0 Ų043.6 Ų43.60%024%0.235CC..EExtended strand (participates in β ladder)trans-78.7126.1-178.7-179.264.6000110.9L306 L331 P332 K333 P356 K357 V358L306-L336 HydrophobicContact CB-CD1 4.13Å; L331-L336 HydrophobicContact CB-CD2 4.42Å; L331-L336 HydrophobicContact CD1-CD2 4.22Å; L331-L336 HydrophobicContact CD2-CD1 4.4Å; P332-L336 WeakPolarHBondContact O-CB 3.37Å; P332-L336 PolarHBondContact O-N 2.88Å; P332-L336 VanDerWaalsContact O-N 3.11Å; K333-L336 HydrophobicContact CD-CD2 4.13Å; K333-L336 PolarHBondContact O-N 3.2Å; L336-P356 HydrophobicContact CD2-CB 4.44Å; L336-P356 HydrophobicContact CG-CB 4.31Å; L336-K357 WeakPolarHBondContact O-CB 3.47Å; L336-K357 PolarHBondContact O-N 2.99Å; L336-V358 PolarHBondContact O-N 3.21Å
337W96.1Very high88.6Confident7 Ų743.2 Ų43.23%0.02723%0.233CC..EExtended strand (participates in β ladder)trans-107.3143166.7-65.144.4000107.5Y215 V246 L268 I285 H303 L304 L305 L306 V358Y215-W337 AromaticContact CD1-CH2 3.52Å; Y215-W337 HydrophobicContact CD1-CH2 3.52Å; Y215-W337 HydrophobicContact CD1-CZ2 4.34Å; Y215-W337 HydrophobicContact CD1-CZ3 4.36Å; Y215-W337 AromaticContact CD2-CH2 3.64Å; Y215-W337 HydrophobicContact CD2-CH2 3.64Å; Y215-W337 HydrophobicContact CD2-CZ2 4.33Å; Y215-W337 HydrophobicContact CD2-CZ3 4.07Å; Y215-W337 AromaticContact CE1-CH2 3.58Å; Y215-W337 HydrophobicContact CE1-CH2 3.58Å; Y215-W337 AromaticContact CE1-CZ2 3.94Å; Y215-W337 HydrophobicContact CE1-CZ2 3.94Å; Y215-W337 AromaticContact CE2-CH2 3.71Å; Y215-W337 HydrophobicContact CE2-CH2 3.71Å; Y215-W337 AromaticContact CE2-CZ2 3.94Å; Y215-W337 HydrophobicContact CE2-CZ2 3.94Å; Y215-W337 HydrophobicContact CE2-CZ3 4.47Å; Y215-W337 AromaticContact CG-CH2 3.56Å; Y215-W337 HydrophobicContact CG-CH2 3.56Å; Y215-W337 HydrophobicContact CG-CZ3 4.02Å; Y215-W337 AromaticContact CZ-CH2 3.68Å; Y215-W337 AromaticContact CZ-CZ2 3.72Å; V246-W337 HydrophobicContact CG2-CH2 4.39Å; L268-W337 HydrophobicContact CD2-CZ2 4.39Å; I285-W337 HydrophobicContact CD1-CD2 4.23Å; I285-W337 HydrophobicContact CD1-CE3 3.97Å; I285-W337 HydrophobicContact CD1-CH2 3.48Å; I285-W337 VanDerWaalsContact CD1-CH2 3.48Å; I285-W337 HydrophobicContact CD1-CZ2 3.78Å; I285-W337 HydrophobicContact CD1-CZ3 3.6Å; I285-W337 HydrophobicContact CG1-CZ2 4.44Å; I285-W337 HydrophobicContact CG2-CD2 4.39Å; I285-W337 HydrophobicContact CG2-CG 4.47Å; H303-W337 AromaticContact CG-NE1 3.44Å; H303-W337 AromaticContact ND1-NE1 3.52Å; L304-W337 WeakPolarHBondContact O-CA 3.47Å; L304-W337 WeakPolarHBondContact O-CB 3.32Å; L304-W337 PolarHBondContact O-N 2.94Å; L305-W337 WeakPolarHBondContact CA-O 3.31Å; L305-W337 HydrophobicContact CB-CB 4.03Å; L305-W337 HydrophobicContact CD1-CB 4.23Å; L305-W337 HydrophobicContact CG-CB 4.25Å; L306-W337 PolarHBondContact N-O 3.04Å; W337-V358 CarbonylContact C-O 3.56Å; W337-V358 VanDerWaalsContact CA-O 3.25Å; W337-V358 WeakPolarHBondContact CA-O 3.42Å; W337-V358 HydrophobicContact CB-CB 4.4Å; W337-V358 HydrophobicContact CD2-CB 3.56Å; W337-V358 HydrophobicContact CD2-CG1 3.79Å; W337-V358 HydrophobicContact CD2-CG2 3.96Å; W337-V358 HydrophobicContact CE3-CB 3.87Å; W337-V358 HydrophobicContact CE3-CG1 3.52Å; W337-V358 HydrophobicContact CE3-CG2 4.46Å; W337-V358 HydrophobicContact CG-CB 3.8Å; W337-V358 HydrophobicContact CG-CG1 4.44Å; W337-V358 HydrophobicContact CG-CG2 4.35Å; W337-V358 HydrophobicContact CH2-CG1 4.22Å; W337-V358 HydrophobicContact CH2-CG2 4.45Å; W337-V358 HydrophobicContact CZ2-CB 4.39Å; W337-V358 HydrophobicContact CZ2-CG1 4.44Å; W337-V358 HydrophobicContact CZ2-CG2 3.94Å; W337-V358 HydrophobicContact CZ3-CB 4.41Å; W337-V358 HydrophobicContact CZ3-CG1 3.76Å
338L94.9Very high89.2Confident0 Ų042.3 Ų42.30%023%0.231CC..EExtended strand (participates in β ladder)trans-120.9127.4-179.6-177.471.4000110.2L306 A308 L342 A350 F354 P356 V358 V359 D360L306-L338 HydrophobicContact CB-CD1 4.36Å; L306-L338 HydrophobicContact CD2-CD1 4.07Å; L306-L338 HydrophobicContact CG-CD1 4.35Å; A308-L338 HydrophobicContact CB-CD1 3.87Å; L338-L342 HydrophobicContact CD2-CD1 4.42Å; L338-L342 HydrophobicContact CD2-CD2 4.46Å; L338-L342 HydrophobicContact CG-CD1 4.34Å; L338-A350 HydrophobicContact CD2-CB 3.72Å; L338-F354 HydrophobicContact CD1-CD2 3.76Å; L338-F354 HydrophobicContact CD1-CE2 3.9Å; L338-F354 HydrophobicContact CD1-CG 4.07Å; L338-F354 HydrophobicContact CD1-CZ 4.38Å; L338-F354 HydrophobicContact CD2-CB 4.14Å; L338-F354 HydrophobicContact CD2-CD2 3.42Å; L338-F354 VanDerWaalsContact CD2-CD2 3.42Å; L338-F354 HydrophobicContact CD2-CE2 4.08Å; L338-F354 HydrophobicContact CD2-CG 4.06Å; L338-F354 HydrophobicContact CG-CD2 4.25Å; L338-P356 HydrophobicContact CB-CB 3.8Å; L338-P356 HydrophobicContact CB-CG 3.96Å; L338-P356 HydrophobicContact CD2-CG 4.27Å; L338-V358 PolarHBondContact N-O 3.08Å; L338-V359 HydrophobicContact CB-CG1 4.44Å; L338-V359 CarbonylContact O-C 3.55Å; L338-V359 WeakPolarHBondContact O-CA 3.41Å; L338-D360 PolarHBondContact O-N 2.78Å
339A93.3Very high89.7Confident5 Ų543.4 Ų43.44%0.04124%0.236CC..EExtended strand (participates in β ladder)trans-129.2179.9172.900000110.2L305 L306 A308 D360L305-A339 HydrophobicContact CD1-CB 4.12Å; L305-A339 HydrophobicContact CD2-CB 3.72Å; L305-A339 HydrophobicContact CG-CB 4.02Å; L306-A339 PolarHBondContact O-N 2.74Å; A308-A339 PolarHBondContact N-O 3.14Å; A339-D360 HydrophobicContact CB-CB 3.93Å
340G88.2Confident90.2Very high14 Ų1436.5 Ų36.514%0.14420%0.199CC..SBendtrans99.5106.417000000112.9D307 A308 L342D307-G340 WeakPolarHBondContact OD1-CA 3.26Å; A308-G340 CarbonylContact O-C 3.38Å; A308-G340 VanDerWaalsContact O-CA 3.22Å; A308-G340 WeakPolarHBondContact O-CA 3.18Å; G340-L342 PolarHBondContact O-N 3.13Å
341G87.9Confident90.9Very high31 Ų3131.3 Ų31.332%0.3218%0.175SC..SBendtrans61.916.6173.800000116.2N346G341-N346 PolarHBondContact O-ND2 2.88Å
342L91.9Very high91.2Very high4 Ų436.2 Ų36.22%0.02120%0.198CC..  trans-73.6137.9-179.8-58.8-178.1000111.3L338 G340 N346 A350 V359 V361 G364 F379L338-L342 HydrophobicContact CD2-CD1 4.42Å; L338-L342 HydrophobicContact CD2-CD2 4.46Å; L338-L342 HydrophobicContact CG-CD1 4.34Å; G340-L342 PolarHBondContact O-N 3.13Å; L342-N346 VanDerWaalsContact CA-OD1 3.29Å; L342-N346 WeakPolarHBondContact CA-OD1 3.25Å; L342-A350 HydrophobicContact CD2-CB 3.69Å; L342-V359 HydrophobicContact CD1-CB 4.01Å; L342-V359 HydrophobicContact CD1-CG1 4.27Å; L342-V361 VanDerWaalsContact O-CG2 3.23Å; L342-V361 WeakPolarHBondContact O-CG2 3.46Å; L342-G364 WeakPolarHBondContact O-CA 3.47Å; L342-F379 HydrophobicContact CB-CE2 3.77Å; L342-F379 HydrophobicContact CB-CZ 4.19Å; L342-F379 HydrophobicContact CD1-CZ 4.42Å
343T91.5Very high91.4Very high38 Ų3838.7 Ų38.723%0.23321%0.205CC..  trans-136.4174.4174.969.10000109.4D345 N346 V347T343-D345 PolarHBondContact O-N 3.43Å; T343-D345 VanDerWaalsContact O-N 3.14Å; T343-D345 PolarHBondContact OG1-N 3.02Å; T343-N346 PolarHBondContact N-OD1 3.46Å; T343-N346 PolarHBondContact O-N 3.49Å; T343-N346 PolarHBondContact O-OD1 2.48Å; T343-V347 VanDerWaalsContact O-CB 3.27Å; T343-V347 WeakPolarHBondContact O-CB 3.46Å; T343-V347 WeakPolarHBondContact O-CG1 3.23Å; T343-V347 PolarHBondContact O-N 2.78Å; T343-V347 VanDerWaalsContact O-N 3.11Å
344S88.8Confident91.6Very high43 Ų4335.7 Ų35.730%0.30119%0.192SC..THydrogen-bonded Turntrans-55.5-27171.549.20000113.2
345D90.2Very high91.7Very high124 Ų12432 Ų3266%0.66319%0.185SC*.THydrogen-bonded Turntrans-84.4-29-171-51.7-22.6000112.4T343T343-D345 PolarHBondContact O-N 3.43Å; T343-D345 VanDerWaalsContact O-N 3.14Å; T343-D345 PolarHBondContact OG1-N 3.02Å
346N91.7Very high91.7Very high10 Ų1031.7 Ų31.75%0.05319%0.186CC..THydrogen-bonded Turntrans-114.3-12-175.370.512000114.4G341 L342 T343 S348 E349 A350G341-N346 PolarHBondContact O-ND2 2.88Å; L342-N346 VanDerWaalsContact CA-OD1 3.29Å; L342-N346 WeakPolarHBondContact CA-OD1 3.25Å; T343-N346 PolarHBondContact N-OD1 3.46Å; T343-N346 PolarHBondContact O-N 3.49Å; T343-N346 PolarHBondContact O-OD1 2.48Å; N346-S348 VanDerWaalsContact C-N 3.3Å; N346-S348 PolarHBondContact O-N 3.39Å; N346-E349 PolarHBondContact O-N 2.84Å; N346-A350 PolarHBondContact O-N 3.32Å
347V92.1Very high91.7Very high0 Ų038.9 Ų38.90%022%0.217CC..Hα-helixtrans-64.6-33.2-174.267.50000112.9T343 A350 I351 V359 F379 A382 V383T343-V347 VanDerWaalsContact O-CB 3.27Å; T343-V347 WeakPolarHBondContact O-CB 3.46Å; T343-V347 WeakPolarHBondContact O-CG1 3.23Å; T343-V347 PolarHBondContact O-N 2.78Å; T343-V347 VanDerWaalsContact O-N 3.11Å; V347-A350 WeakPolarHBondContact O-CB 3.19Å; V347-A350 PolarHBondContact O-N 3.11Å; V347-I351 HydrophobicContact CG2-CD1 3.98Å; V347-I351 HydrophobicContact CG2-CG1 4.33Å; V347-I351 VanDerWaalsContact O-CG1 3.27Å; V347-I351 WeakPolarHBondContact O-CG1 3.32Å; V347-I351 PolarHBondContact O-N 3.27Å; V347-V359 HydrophobicContact CG2-CB 4.34Å; V347-V359 HydrophobicContact CG2-CG1 4.22Å; V347-V359 HydrophobicContact CG2-CG2 4.05Å; V347-F379 HydrophobicContact CB-CD2 4.26Å; V347-F379 HydrophobicContact CB-CE2 3.68Å; V347-F379 HydrophobicContact CB-CZ 4.15Å; V347-F379 HydrophobicContact CG1-CD2 4.24Å; V347-F379 HydrophobicContact CG1-CE2 4.14Å; V347-F379 HydrophobicContact CG2-CD2 4.5Å; V347-F379 HydrophobicContact CG2-CE1 4.37Å; V347-F379 HydrophobicContact CG2-CE2 3.65Å; V347-F379 HydrophobicContact CG2-CZ 3.57Å; V347-A382 HydrophobicContact CG1-CB 3.48Å; V347-A382 VanDerWaalsContact CG1-CB 3.48Å; V347-V383 HydrophobicContact CG1-CG2 4.22Å; V347-V383 HydrophobicContact CG2-CG2 3.65Å
348S92.9Very high91.7Very high33 Ų3339.5 Ų39.523%0.23122%0.221CC..Hα-helixtrans-62.7-47.8176.9-175.30000111.5N346 A350 I351 Q352 T386N346-S348 VanDerWaalsContact C-N 3.3Å; N346-S348 PolarHBondContact O-N 3.39Å; S348-A350 VanDerWaalsContact C-N 3.29Å; S348-A350 PolarHBondContact O-N 2.74Å; S348-I351 PolarHBondContact O-N 3.38Å; S348-Q352 WeakPolarHBondContact O-CG 3.35Å; S348-Q352 PolarHBondContact O-N 2.84Å; S348-T386 WeakPolarHBondContact CA-OG1 3.39Å; S348-T386 WeakPolarHBondContact CB-OG1 3.41Å; S348-T386 PolarHBondContact OG-OG1 3.3Å
349E91.2Very high91.7Very high77 Ų7740.8 Ų40.836%0.3623%0.229SC..Hα-helixtrans-62.5-39.1175.7-62.4-176.9178.500111.1W323 N346 Q352 Y353W323-E349 HydrophobicContact CH2-CB 4.16Å; W323-E349 HydrophobicContact CZ3-CB 4.01Å; N346-E349 PolarHBondContact O-N 2.84Å; E349-Q352 PolarHBondContact O-N 3.23Å; E349-Y353 VanDerWaalsContact O-CB 3.27Å; E349-Y353 WeakPolarHBondContact O-CB 3.5Å; E349-Y353 PolarHBondContact O-N 2.91Å
350A91.4Very high91.7Very high0 Ų043 Ų430%024%0.24CC..Hα-helixtrans-62.4-44.217800000111.9W323 L338 L342 N346 V347 S348 Y353 F354W323-A350 HydrophobicContact CH2-CB 3.36Å; W323-A350 VanDerWaalsContact CH2-N 3.32Å; W323-A350 HydrophobicContact CZ2-CB 3.73Å; W323-A350 HydrophobicContact CZ3-CB 3.92Å; L338-A350 HydrophobicContact CD2-CB 3.72Å; L342-A350 HydrophobicContact CD2-CB 3.69Å; N346-A350 PolarHBondContact O-N 3.32Å; V347-A350 WeakPolarHBondContact O-CB 3.19Å; V347-A350 PolarHBondContact O-N 3.11Å; S348-A350 VanDerWaalsContact C-N 3.29Å; S348-A350 PolarHBondContact O-N 2.74Å; A350-Y353 PolarHBondContact O-N 3.49Å; A350-F354 WeakPolarHBondContact O-CB 3.32Å; A350-F354 WeakPolarHBondContact O-CD2 3.32Å; A350-F354 PolarHBondContact O-N 3.04Å
351I93.1Very high91.8Very high17 Ų1743.9 Ų43.99%0.08724%0.243CC..Hα-helixtrans-63.9-44.5176.7-70.1166.3000110.5V347 S348 Y353 A355 P356 V359 V383 T386 I390V347-I351 HydrophobicContact CG2-CD1 3.98Å; V347-I351 HydrophobicContact CG2-CG1 4.33Å; V347-I351 VanDerWaalsContact O-CG1 3.27Å; V347-I351 WeakPolarHBondContact O-CG1 3.32Å; V347-I351 PolarHBondContact O-N 3.27Å; S348-I351 PolarHBondContact O-N 3.38Å; I351-Y353 PolarHBondContact O-N 2.78Å; I351-A355 WeakPolarHBondContact O-CA 3.49Å; I351-A355 PolarHBondContact O-N 3.41Å; I351-P356 HydrophobicContact CG1-CG 4.47Å; I351-V359 HydrophobicContact CD1-CG1 4.27Å; I351-V359 HydrophobicContact CG1-CG1 3.78Å; I351-V383 HydrophobicContact CD1-CB 4.2Å; I351-V383 HydrophobicContact CD1-CG1 4Å; I351-V383 HydrophobicContact CD1-CG2 4.06Å; I351-T386 HydrophobicContact CB-CG2 3.95Å; I351-T386 HydrophobicContact CD1-CG2 4.47Å; I351-T386 HydrophobicContact CG2-CG2 3.75Å; I351-I390 HydrophobicContact CG2-CD1 3.7Å
352Q91.3Very high91.8Very high113 Ų11344.8 Ų44.853%0.52824%0.244SC..Hα-helixtrans-64.8-39.3178.4-70.3175.56.900112.2S348 E349 T386S348-Q352 WeakPolarHBondContact O-CG 3.35Å; S348-Q352 PolarHBondContact O-N 2.84Å; E349-Q352 PolarHBondContact O-N 3.23Å; Q352-T386 HydrophobicContact CG-CG2 4.1Å
353Y89.5Confident91.5Very high72 Ų7248.4 Ų48.428%0.28227%0.27SS..Hα-helixtrans-76.3-45.1-176.7-173.4-99000113.3F321 W323 Q328 E349 A350 I351F321-Y353 HydrophobicContact CD1-CE2 4.45Å; F321-Y353 HydrophobicContact CE1-CD1 4.15Å; F321-Y353 AromaticContact CE1-CD2 3.71Å; F321-Y353 HydrophobicContact CE1-CD2 3.71Å; F321-Y353 HydrophobicContact CE1-CE1 4.22Å; F321-Y353 AromaticContact CE1-CE2 3.79Å; F321-Y353 HydrophobicContact CE1-CE2 3.79Å; F321-Y353 AromaticContact CE1-CG 3.9Å; F321-Y353 HydrophobicContact CE1-CG 3.9Å; F321-Y353 HydrophobicContact CZ-CD2 4.28Å; F321-Y353 HydrophobicContact CZ-CG 4.34Å; W323-Y353 HydrophobicContact CB-CD1 3.86Å; W323-Y353 HydrophobicContact CB-CE1 3.59Å; W323-Y353 HydrophobicContact CD2-CD1 4.47Å; W323-Y353 AromaticContact CE3-CD1 3.91Å; W323-Y353 HydrophobicContact CE3-CD1 3.91Å; W323-Y353 AromaticContact CE3-CG 3.98Å; W323-Y353 HydrophobicContact CE3-CG 3.98Å; W323-Y353 HydrophobicContact CG-CD1 4.49Å; Q328-Y353 PolarHBondContact NE2-O 3.36Å; Q328-Y353 VanDerWaalsContact NE2-O 3.13Å; Q328-Y353 PolarHBondContact OE1-O 3.2Å; E349-Y353 VanDerWaalsContact O-CB 3.27Å; E349-Y353 WeakPolarHBondContact O-CB 3.5Å; E349-Y353 PolarHBondContact O-N 2.91Å; A350-Y353 PolarHBondContact O-N 3.49Å; I351-Y353 PolarHBondContact O-N 2.78Å
354F90.4Very high91.3Very high0 Ų047.4 Ų47.40%027%0.267CS..Hα-helixtrans-96.6-17.9-175.2-70.2-72000114L306 A308 W323 V326 K333 L338 A350 P356L306-F354 HydrophobicContact CD2-CD1 4.32Å; L306-F354 HydrophobicContact CD2-CE1 3.93Å; L306-F354 HydrophobicContact CD2-CZ 4.38Å; A308-F354 HydrophobicContact CB-CE2 4.45Å; A308-F354 HydrophobicContact CB-CZ 4.3Å; W323-F354 HydrophobicContact CB-CE1 4.47Å; W323-F354 HydrophobicContact CB-CE2 3.82Å; W323-F354 HydrophobicContact CB-CZ 3.49Å; W323-F354 VanDerWaalsContact CB-CZ 3.49Å; W323-F354 AromaticContact CD1-CE2 3.8Å; W323-F354 AromaticContact CD1-CZ 3.9Å; W323-F354 HydrophobicContact CD2-CD2 4.34Å; W323-F354 AromaticContact CD2-CE2 3.43Å; W323-F354 HydrophobicContact CD2-CE2 3.43Å; W323-F354 VanDerWaalsContact CD2-CE2 3.43Å; W323-F354 HydrophobicContact CD2-CZ 4.08Å; W323-F354 AromaticContact CE2-CE2 3.93Å; W323-F354 HydrophobicContact CE3-CD2 4.32Å; W323-F354 AromaticContact CE3-CE2 3.8Å; W323-F354 HydrophobicContact CE3-CE2 3.8Å; W323-F354 AromaticContact CG-CE2 3.4Å; W323-F354 HydrophobicContact CG-CE2 3.4Å; W323-F354 AromaticContact CG-CZ 3.53Å; W323-F354 HydrophobicContact CG-CZ 3.53Å; V326-F354 HydrophobicContact CB-CE1 3.83Å; V326-F354 HydrophobicContact CB-CZ 4.37Å; V326-F354 HydrophobicContact CG1-CE1 3.85Å; V326-F354 HydrophobicContact CG2-CE1 3.86Å; V326-F354 HydrophobicContact CG2-CZ 3.94Å; K333-F354 WeakPolarHBondContact CD-O 3.37Å; K333-F354 WeakPolarHBondContact CE-O 3.27Å; K333-F354 PolarHBondContact NZ-O 3.08Å; L338-F354 HydrophobicContact CD1-CD2 3.76Å; L338-F354 HydrophobicContact CD1-CE2 3.9Å; L338-F354 HydrophobicContact CD1-CG 4.07Å; L338-F354 HydrophobicContact CD1-CZ 4.38Å; L338-F354 HydrophobicContact CD2-CB 4.14Å; L338-F354 HydrophobicContact CD2-CD2 3.42Å; L338-F354 VanDerWaalsContact CD2-CD2 3.42Å; L338-F354 HydrophobicContact CD2-CE2 4.08Å; L338-F354 HydrophobicContact CD2-CG 4.06Å; L338-F354 HydrophobicContact CG-CD2 4.25Å; A350-F354 WeakPolarHBondContact O-CB 3.32Å; A350-F354 WeakPolarHBondContact O-CD2 3.32Å; A350-F354 PolarHBondContact O-N 3.04Å; F354-P356 VanDerWaalsContact C-N 3.32Å
355A91.5Very high90.9Very high58 Ų5845.6 Ų45.648%0.47925%0.254SS..  trans44.151.2-170.700000113.3I351I351-A355 WeakPolarHBondContact O-CA 3.49Å; I351-A355 PolarHBondContact O-N 3.41Å
356P93.9Very high90.3Very high20 Ų2040.9 Ų40.913%0.1323%0.228CC..  trans-72.8155.9-179.335.1-34.7000110.8L336 L338 I351 F354 V359L336-P356 HydrophobicContact CD2-CB 4.44Å; L336-P356 HydrophobicContact CG-CB 4.31Å; L338-P356 HydrophobicContact CB-CB 3.8Å; L338-P356 HydrophobicContact CB-CG 3.96Å; L338-P356 HydrophobicContact CD2-CG 4.27Å; I351-P356 HydrophobicContact CG1-CG 4.47Å; F354-P356 VanDerWaalsContact C-N 3.32Å; P356-V359 HydrophobicContact CG-CG1 3.81Å
357K94.2Very high89.4Confident151 Ų15143.2 Ų43.266%0.65724%0.243SC*.SBendtrans-74.5-33.8172-173.160.6175.4-179.40112.2L336L336-K357 WeakPolarHBondContact O-CB 3.47Å; L336-K357 PolarHBondContact O-N 2.99Å
358V95.2Very high88.6Confident19 Ų1952.5 Ų52.512%0.11529%0.289CS..EExtended strand (participates in β ladder)trans-140.1143.1-179.5-178.50000109.1Y215 L336 W337 L338Y215-V358 HydrophobicContact CD2-CG1 3.9Å; Y215-V358 HydrophobicContact CD2-CG2 4.38Å; Y215-V358 HydrophobicContact CE2-CG1 4.09Å; Y215-V358 HydrophobicContact CE2-CG2 3.72Å; L336-V358 PolarHBondContact O-N 3.21Å; W337-V358 CarbonylContact C-O 3.56Å; W337-V358 VanDerWaalsContact CA-O 3.25Å; W337-V358 WeakPolarHBondContact CA-O 3.42Å; W337-V358 HydrophobicContact CB-CB 4.4Å; W337-V358 HydrophobicContact CD2-CB 3.56Å; W337-V358 HydrophobicContact CD2-CG1 3.79Å; W337-V358 HydrophobicContact CD2-CG2 3.96Å; W337-V358 HydrophobicContact CE3-CB 3.87Å; W337-V358 HydrophobicContact CE3-CG1 3.52Å; W337-V358 HydrophobicContact CE3-CG2 4.46Å; W337-V358 HydrophobicContact CG-CB 3.8Å; W337-V358 HydrophobicContact CG-CG1 4.44Å; W337-V358 HydrophobicContact CG-CG2 4.35Å; W337-V358 HydrophobicContact CH2-CG1 4.22Å; W337-V358 HydrophobicContact CH2-CG2 4.45Å; W337-V358 HydrophobicContact CZ2-CB 4.39Å; W337-V358 HydrophobicContact CZ2-CG1 4.44Å; W337-V358 HydrophobicContact CZ2-CG2 3.94Å; W337-V358 HydrophobicContact CZ3-CB 4.41Å; W337-V358 HydrophobicContact CZ3-CG1 3.76Å; L338-V358 PolarHBondContact N-O 3.08Å
359V94.7Very high87.5Confident27 Ų2753.3 Ų53.316%0.16430%0.303CS..EExtended strand (participates in β ladder)trans-109.7140.3166.6-66.20000109.6L338 L342 V347 I351 P356 F379 V383L338-V359 HydrophobicContact CB-CG1 4.44Å; L338-V359 CarbonylContact O-C 3.55Å; L338-V359 WeakPolarHBondContact O-CA 3.41Å; L342-V359 HydrophobicContact CD1-CB 4.01Å; L342-V359 HydrophobicContact CD1-CG1 4.27Å; V347-V359 HydrophobicContact CG2-CB 4.34Å; V347-V359 HydrophobicContact CG2-CG1 4.22Å; V347-V359 HydrophobicContact CG2-CG2 4.05Å; I351-V359 HydrophobicContact CD1-CG1 4.27Å; I351-V359 HydrophobicContact CG1-CG1 3.78Å; P356-V359 HydrophobicContact CG-CG1 3.81Å; V359-F379 HydrophobicContact CB-CZ 4.31Å; V359-F379 HydrophobicContact CG2-CE1 3.81Å; V359-F379 HydrophobicContact CG2-CZ 3.87Å; V359-V383 HydrophobicContact CG2-CG1 4.16Å; V359-V383 HydrophobicContact CG2-CG2 3.52Å
360D94Very high86.5Confident52 Ų5256.7 Ų56.728%0.27832%0.318SS..  trans-116.3136.8179.3172.546.5000109.8L305 L338 A339L305-D360 HydrophobicContact CD1-CB 4.07Å; L338-D360 PolarHBondContact O-N 2.78Å; A339-D360 HydrophobicContact CB-CB 3.93Å
361V90.9Very high85.5Confident33 Ų3361.5 Ų61.520%0.234%0.339CS..  trans-138.2133.2-17966.40000110.9L342 V365 F379L342-V361 VanDerWaalsContact O-CG2 3.23Å; L342-V361 WeakPolarHBondContact O-CG2 3.46Å; V361-V365 HydrophobicContact CG1-CG1 3.88Å; V361-V365 HydrophobicContact CG1-CG2 4.04Å; V361-V365 HydrophobicContact CG2-CB 4.5Å; V361-V365 HydrophobicContact CG2-CG1 3.81Å; V361-V365 HydrophobicContact CG2-CG2 4.19Å; V361-F379 HydrophobicContact CB-CD1 4.33Å; V361-F379 HydrophobicContact CB-CD2 4.23Å; V361-F379 HydrophobicContact CB-CE1 3.89Å; V361-F379 HydrophobicContact CB-CE2 3.78Å; V361-F379 HydrophobicContact CB-CG 4.48Å; V361-F379 HydrophobicContact CB-CZ 3.59Å; V361-F379 HydrophobicContact CG1-CD1 3.61Å; V361-F379 HydrophobicContact CG1-CD2 4.2Å; V361-F379 HydrophobicContact CG1-CE1 3.51Å; V361-F379 HydrophobicContact CG1-CE2 4.11Å; V361-F379 HydrophobicContact CG1-CG 3.96Å; V361-F379 HydrophobicContact CG1-CZ 3.78Å; V361-F379 HydrophobicContact CG2-CD2 4.1Å; V361-F379 HydrophobicContact CG2-CE2 3.9Å; V361-F379 HydrophobicContact CG2-CZ 4.25Å
362S87.3Confident84.4Confident49 Ų4962.3 Ų62.334%0.34334%0.344SS..SBendtrans-117.9-80.4171.4-1710000111.9G364 V365 E366 K371S362-G364 PolarHBondContact O-N 2.95Å; S362-V365 VanDerWaalsContact O-CG2 3.25Å; S362-V365 WeakPolarHBondContact O-CG2 3.19Å; S362-V365 PolarHBondContact O-N 2.86Å; S362-E366 PolarHBondContact OG-OE1 2.76Å; S362-K371 VanDerWaalsContact C-NZ 3.34Å; S362-K371 VanDerWaalsContact CA-NZ 3.34Å; S362-K371 PolarHBondContact O-NZ 2.87Å; S362-K371 PolarHBondContact OG-NZ 2.75Å; S362-K371 VanDerWaalsContact OG-NZ 3.11Å
363S84.8Confident83.2Confident80 Ų8058.3 Ų58.356%0.55933%0.328SS*.G310 helixtrans-73.3-24.9-171.652.70000114.2V365 E366S363-V365 PolarHBondContact O-N 3.48Å; S363-V365 VanDerWaalsContact O-N 3.11Å; S363-E366 PolarHBondContact O-N 3.04Å
364G87.4Confident82.2Confident18 Ų1860 Ų6019%0.18634%0.341CS..G310 helixtrans-66.4-10.7177.300000114.7L342 S362L342-G364 WeakPolarHBondContact O-CA 3.47Å; S362-G364 PolarHBondContact O-N 2.95Å
365V81.4Confident81.5Confident4 Ų463.9 Ų63.92%0.02436%0.358CS..G310 helixtrans-117.820.3174.1-60.30000112.4V361 S362 S363 K371 D372 K375 I376 F379V361-V365 HydrophobicContact CG1-CG1 3.88Å; V361-V365 HydrophobicContact CG1-CG2 4.04Å; V361-V365 HydrophobicContact CG2-CB 4.5Å; V361-V365 HydrophobicContact CG2-CG1 3.81Å; V361-V365 HydrophobicContact CG2-CG2 4.19Å; S362-V365 VanDerWaalsContact O-CG2 3.25Å; S362-V365 WeakPolarHBondContact O-CG2 3.19Å; S362-V365 PolarHBondContact O-N 2.86Å; S363-V365 PolarHBondContact O-N 3.48Å; S363-V365 VanDerWaalsContact O-N 3.11Å; V365-K371 HydrophobicContact CG2-CD 4.29Å; V365-D372 WeakPolarHBondContact O-CB 3.44Å; V365-D372 PolarHBondContact O-N 2.95Å; V365-K375 HydrophobicContact CB-CB 4.01Å; V365-K375 HydrophobicContact CG1-CB 4.24Å; V365-I376 HydrophobicContact CB-CG1 3.72Å; V365-I376 HydrophobicContact CG1-CG1 4.31Å; V365-I376 HydrophobicContact CG2-CG1 3.74Å; V365-F379 HydrophobicContact CG1-CB 3.77Å; V365-F379 HydrophobicContact CG1-CD2 4.42Å; V365-F379 HydrophobicContact CG1-CG 4.14Å
366E77.5Confident80.9Confident25 Ų2562.3 Ų62.312%0.11734%0.341CS..EExtended strand (participates in β ladder)trans-102.6148.2175.8-72.1163.8-161.800111.3S362 S363 E370 K371 K375S362-E366 PolarHBondContact OG-OE1 2.76Å; S363-E366 PolarHBondContact O-N 3.04Å; E366-E370 CarbonylContact C-O 3.54Å; E366-E370 WeakPolarHBondContact CA-O 3.22Å; E366-E370 WeakPolarHBondContact CB-O 3.37Å; E366-K371 HydrophobicContact CG-CD 3.88Å; E366-K371 IonicContact OE1-NZ 3.7Å; E366-K371 PolarHBondContact OE1-NZ 2.91Å; E366-K375 PolarHBondContact O-NZ 3.49Å
367T73.4Confident79.8Confident59 Ų5962.9 Ų62.936%0.36234%0.342SS..EExtended strand (participates in β ladder)trans-125.7122.4166.5-67.60000107.2G369 E370 D372 K375T367-G369 PolarHBondContact O-N 2.92Å; T367-G369 VanDerWaalsContact O-N 3.17Å; T367-E370 PolarHBondContact N-O 2.86Å; T367-E370 PolarHBondContact O-N 2.93Å; T367-E370 VanDerWaalsContact O-N 3.12Å; T367-D372 WeakPolarHBondContact CB-OD2 3.34Å; T367-D372 PolarHBondContact OG1-OD2 3.29Å; T367-K375 WeakPolarHBondContact OG1-CE 3.18Å; T367-K375 PolarHBondContact OG1-NZ 3.3Å
368M74.3Confident79.1Confident195 Ų19557.2 Ų57.296%0.96132%0.324SS*.THydrogen-bonded Turntrans55.529.7-176.4-59.8-102.7-70.800114.2E370M368-E370 VanDerWaalsContact C-N 3.33Å
369G70Confident78.7Confident51 Ų5156.7 Ų56.753%0.52632%0.32SS..THydrogen-bonded Turntrans88.3-8.9179.700000115.3T367T367-G369 PolarHBondContact O-N 2.92Å; T367-G369 VanDerWaalsContact O-N 3.17Å
370E70.3Confident78.3Confident147 Ų14756 Ų5669%0.68732%0.316SS*.EExtended strand (participates in β ladder)trans-99.9150.3176.9-70.1-62.8163.100111.7E366 T367 M368 D372E366-E370 CarbonylContact C-O 3.54Å; E366-E370 WeakPolarHBondContact CA-O 3.22Å; E366-E370 WeakPolarHBondContact CB-O 3.37Å; T367-E370 PolarHBondContact N-O 2.86Å; T367-E370 PolarHBondContact O-N 2.93Å; T367-E370 VanDerWaalsContact O-N 3.12Å; M368-E370 VanDerWaalsContact C-N 3.33Å; E370-D372 PolarHBondContact O-N 3.34Å
371K69.7Low77.8Confident102 Ų10258 Ų5844%0.44332%0.324SS..EExtended strand (participates in β ladder)trans-64.4120177.6-69.3-54.9-174.4-158.40111S362 V365 E366 I376S362-K371 VanDerWaalsContact C-NZ 3.34Å; S362-K371 VanDerWaalsContact CA-NZ 3.34Å; S362-K371 PolarHBondContact O-NZ 2.87Å; S362-K371 PolarHBondContact OG-NZ 2.75Å; S362-K371 VanDerWaalsContact OG-NZ 3.11Å; V365-K371 HydrophobicContact CG2-CD 4.29Å; E366-K371 HydrophobicContact CG-CD 3.88Å; E366-K371 IonicContact OE1-NZ 3.7Å; E366-K371 PolarHBondContact OE1-NZ 2.91Å; K371-I376 HydrophobicContact CB-CD1 4.14Å
372D70.1Confident77.7Confident34 Ų3457.4 Ų57.418%0.18232%0.322CS..  trans-96.4113.1179.8-173.9-37.3000110.1V365 T367 E370 I374 K375 I376V365-D372 WeakPolarHBondContact O-CB 3.44Å; V365-D372 PolarHBondContact O-N 2.95Å; T367-D372 WeakPolarHBondContact CB-OD2 3.34Å; T367-D372 PolarHBondContact OG1-OD2 3.29Å; E370-D372 PolarHBondContact O-N 3.34Å; D372-I374 VanDerWaalsContact C-N 3.26Å; D372-I374 PolarHBondContact O-N 3.33Å; D372-I374 WeakPolarHBondContact OD1-CA 3.35Å; D372-I374 WeakPolarHBondContact OD1-CB 3.46Å; D372-I374 PolarHBondContact OD1-N 3.21Å; D372-K375 HydrophobicContact CB-CB 4.09Å; D372-K375 HydrophobicContact CB-CD 4.03Å; D372-K375 HydrophobicContact CB-CG 4.03Å; D372-K375 PolarHBondContact O-N 3.2Å; D372-K375 PolarHBondContact OD1-N 2.68Å; D372-I376 WeakPolarHBondContact O-CG1 3.31Å; D372-I376 PolarHBondContact O-N 3.49Å
373S66.6Low77.9Confident29 Ų2956.8 Ų56.820%0.20332%0.316CS..Hα-helixtrans-63.1-28.7-177.372.90000114.4M1 V209 H377M1-S373 PolarHBondContact N-OG 2.92Å; V209-S373 VanDerWaalsContact CG1-O 3.29Å; V209-S373 WeakPolarHBondContact CG1-O 3.31Å; S373-H377 WeakPolarHBondContact O-CB 3.49Å; S373-H377 PolarHBondContact O-N 3.01Å; S373-H377 VanDerWaalsContact O-N 3.15Å
374I68.7Low78Confident106 Ų10657.9 Ų57.954%0.54431%0.311SS..Hα-helixtrans-71.2-44.8175.9-61.6173.3000109D372 H377 A378D372-I374 VanDerWaalsContact C-N 3.26Å; D372-I374 PolarHBondContact O-N 3.33Å; D372-I374 WeakPolarHBondContact OD1-CA 3.35Å; D372-I374 WeakPolarHBondContact OD1-CB 3.46Å; D372-I374 PolarHBondContact OD1-N 3.21Å; I374-H377 WeakPolarHBondContact O-CB 3.42Å; I374-H377 PolarHBondContact O-N 3.29Å; I374-A378 PolarHBondContact O-N 3.32Å
375K76.8Confident78Confident83 Ų8359.4 Ų59.436%0.36132%0.322SS..Hα-helixtrans-67.6-41177.7-64.7-177.4176.9166.70112.7V365 E366 T367 D372 H377 A378 F379V365-K375 HydrophobicContact CB-CB 4.01Å; V365-K375 HydrophobicContact CG1-CB 4.24Å; E366-K375 PolarHBondContact O-NZ 3.49Å; T367-K375 WeakPolarHBondContact OG1-CE 3.18Å; T367-K375 PolarHBondContact OG1-NZ 3.3Å; D372-K375 HydrophobicContact CB-CB 4.09Å; D372-K375 HydrophobicContact CB-CD 4.03Å; D372-K375 HydrophobicContact CB-CG 4.03Å; D372-K375 PolarHBondContact O-N 3.2Å; D372-K375 PolarHBondContact OD1-N 2.68Å; K375-H377 PolarHBondContact O-N 3Å; K375-A378 PolarHBondContact O-N 3.19Å; K375-F379 VanDerWaalsContact O-CB 3.32Å; K375-F379 WeakPolarHBondContact O-CB 3.42Å; K375-F379 PolarHBondContact O-N 3.19Å
376I77.4Confident78.4Confident25 Ų2559.3 Ų59.313%0.12832%0.321CS..Hα-helixtrans-54.9-45.1173-70.8171.4000109.9L210 V365 K371 D372 C380L210-I376 HydrophobicContact CD2-CG2 4.28Å; V365-I376 HydrophobicContact CB-CG1 3.72Å; V365-I376 HydrophobicContact CG1-CG1 4.31Å; V365-I376 HydrophobicContact CG2-CG1 3.74Å; K371-I376 HydrophobicContact CB-CD1 4.14Å; D372-I376 WeakPolarHBondContact O-CG1 3.31Å; D372-I376 PolarHBondContact O-N 3.49Å; I376-C380 WeakPolarHBondContact O-CB 3.22Å; I376-C380 PolarHBondContact O-N 2.93Å; I376-C380 PolarHBondContact O-SG 3.29Å
377H71.4Confident78.8Confident31 Ų3161.5 Ų61.514%0.14433%0.334CS..Hα-helixtrans-64.5-51.3179.3-171.168.5000112.3H181 V209 S373 I374 K375 F379 C380 Q381H181-H377 AromaticContact CE1-CE1 3.25Å; H181-H377 PolarHBondContact CE1-CE1 2.98Å; H181-H377 AromaticContact CE1-NE2 3.19Å; H181-H377 PolarHBondContact CE1-NE2 3.34Å; H181-H377 AromaticContact ND1-CE1 3.59Å; H181-H377 AromaticContact ND1-NE2 3.13Å; H181-H377 PolarHBondContact ND1-NE2 3.5Å; H181-H377 VanDerWaalsContact ND1-NE2 3.13Å; V209-H377 HydrophobicContact CG1-CB 4.43Å; S373-H377 WeakPolarHBondContact O-CB 3.49Å; S373-H377 PolarHBondContact O-N 3.01Å; S373-H377 VanDerWaalsContact O-N 3.15Å; I374-H377 WeakPolarHBondContact O-CB 3.42Å; I374-H377 PolarHBondContact O-N 3.29Å; K375-H377 PolarHBondContact O-N 3Å; H377-F379 VanDerWaalsContact C-N 3.27Å; H377-F379 PolarHBondContact O-N 2.98Å; H377-C380 WeakPolarHBondContact O-CB 3.35Å; H377-C380 PolarHBondContact O-N 3.18Å; H377-C380 VanDerWaalsContact O-N 3.14Å; H377-Q381 PolarHBondContact NE2-NE2 2.85Å; H377-Q381 WeakPolarHBondContact O-CG 3.44Å; H377-Q381 PolarHBondContact O-N 2.86Å
378A79.7Confident79.3Confident33 Ų3361.8 Ų61.827%0.27334%0.338SS..Hα-helixtrans-56.6-42.5178.200000111.5I374 K375 Q381 A382I374-A378 PolarHBondContact O-N 3.32Å; K375-A378 PolarHBondContact O-N 3.19Å; A378-Q381 PolarHBondContact O-N 2.85Å; A378-A382 WeakPolarHBondContact O-CB 3.36Å; A378-A382 PolarHBondContact O-N 3.31Å
379F86.8Confident79.8Confident8 Ų857.1 Ų57.14%0.03531%0.314CS..Hα-helixtrans-59.7-52.4174.1-174.8-90.2000111.8L342 V347 V359 V361 V365 K375 H377 Q381 A382 V383L342-F379 HydrophobicContact CB-CE2 3.77Å; L342-F379 HydrophobicContact CB-CZ 4.19Å; L342-F379 HydrophobicContact CD1-CZ 4.42Å; V347-F379 HydrophobicContact CB-CD2 4.26Å; V347-F379 HydrophobicContact CB-CE2 3.68Å; V347-F379 HydrophobicContact CB-CZ 4.15Å; V347-F379 HydrophobicContact CG1-CD2 4.24Å; V347-F379 HydrophobicContact CG1-CE2 4.14Å; V347-F379 HydrophobicContact CG2-CD2 4.5Å; V347-F379 HydrophobicContact CG2-CE1 4.37Å; V347-F379 HydrophobicContact CG2-CE2 3.65Å; V347-F379 HydrophobicContact CG2-CZ 3.57Å; V359-F379 HydrophobicContact CB-CZ 4.31Å; V359-F379 HydrophobicContact CG2-CE1 3.81Å; V359-F379 HydrophobicContact CG2-CZ 3.87Å; V361-F379 HydrophobicContact CB-CD1 4.33Å; V361-F379 HydrophobicContact CB-CD2 4.23Å; V361-F379 HydrophobicContact CB-CE1 3.89Å; V361-F379 HydrophobicContact CB-CE2 3.78Å; V361-F379 HydrophobicContact CB-CG 4.48Å; V361-F379 HydrophobicContact CB-CZ 3.59Å; V361-F379 HydrophobicContact CG1-CD1 3.61Å; V361-F379 HydrophobicContact CG1-CD2 4.2Å; V361-F379 HydrophobicContact CG1-CE1 3.51Å; V361-F379 HydrophobicContact CG1-CE2 4.11Å; V361-F379 HydrophobicContact CG1-CG 3.96Å; V361-F379 HydrophobicContact CG1-CZ 3.78Å; V361-F379 HydrophobicContact CG2-CD2 4.1Å; V361-F379 HydrophobicContact CG2-CE2 3.9Å; V361-F379 HydrophobicContact CG2-CZ 4.25Å; V365-F379 HydrophobicContact CG1-CB 3.77Å; V365-F379 HydrophobicContact CG1-CD2 4.42Å; V365-F379 HydrophobicContact CG1-CG 4.14Å; K375-F379 VanDerWaalsContact O-CB 3.32Å; K375-F379 WeakPolarHBondContact O-CB 3.42Å; K375-F379 PolarHBondContact O-N 3.19Å; H377-F379 VanDerWaalsContact C-N 3.27Å; H377-F379 PolarHBondContact O-N 2.98Å; F379-Q381 VanDerWaalsContact C-N 3.28Å; F379-Q381 PolarHBondContact O-N 3.23Å; F379-A382 PolarHBondContact O-N 3.19Å; F379-V383 HydrophobicContact CD1-CG2 4.1Å; F379-V383 HydrophobicContact CE1-CG2 3.8Å; F379-V383 HydrophobicContact CZ-CG2 4.27Å; F379-V383 WeakPolarHBondContact O-CG2 3.48Å; F379-V383 PolarHBondContact O-N 3.16Å
380C85.7Confident80.5Confident12 Ų1256.8 Ų56.88%0.08130%0.299CS..Hα-helixtrans-59.9-37.3178.8-73.50000113G212 I376 H377 K384G212-C380 VanDerWaalsContact C-SG 3.58Å; I376-C380 WeakPolarHBondContact O-CB 3.22Å; I376-C380 PolarHBondContact O-N 2.93Å; I376-C380 PolarHBondContact O-SG 3.29Å; H377-C380 WeakPolarHBondContact O-CB 3.35Å; H377-C380 PolarHBondContact O-N 3.18Å; H377-C380 VanDerWaalsContact O-N 3.14Å; C380-K384 WeakPolarHBondContact O-CG 3.29Å; C380-K384 PolarHBondContact O-N 2.99Å
381Q83.6Confident81Confident94 Ų9456 Ų5644%0.43929%0.294SS..Hα-helixtrans-67.6-45.2175.9-77.1-170.7-3900111.8H377 A378 F379 V383 K384 A385H377-Q381 PolarHBondContact NE2-NE2 2.85Å; H377-Q381 WeakPolarHBondContact O-CG 3.44Å; H377-Q381 PolarHBondContact O-N 2.86Å; A378-Q381 PolarHBondContact O-N 2.85Å; F379-Q381 VanDerWaalsContact C-N 3.28Å; F379-Q381 PolarHBondContact O-N 3.23Å; Q381-V383 VanDerWaalsContact C-N 3.29Å; Q381-V383 PolarHBondContact O-N 2.99Å; Q381-K384 PolarHBondContact O-N 3.18Å; Q381-A385 VanDerWaalsContact O-CB 3.31Å; Q381-A385 WeakPolarHBondContact O-CB 3.49Å; Q381-A385 PolarHBondContact O-N 3.12Å
382A88.8Confident81.2Confident20 Ų2058.3 Ų58.317%0.16531%0.31CS..Hα-helixtrans-56-46.7175.300000110.6V347 A378 F379 K384 A385 T386V347-A382 HydrophobicContact CG1-CB 3.48Å; V347-A382 VanDerWaalsContact CG1-CB 3.48Å; A378-A382 WeakPolarHBondContact O-CB 3.36Å; A378-A382 PolarHBondContact O-N 3.31Å; F379-A382 PolarHBondContact O-N 3.19Å; A382-K384 PolarHBondContact O-N 3.28Å; A382-A385 PolarHBondContact O-N 2.85Å; A382-T386 PolarHBondContact O-N 3.03Å; A382-T386 PolarHBondContact O-OG1 2.9Å
383V91.4Very high81.4Confident36 Ų3664.2 Ų64.222%0.21834%0.337CS..Hα-helixtrans-57.9-49.9175.6175.80000112.2V347 I351 V359 F379 Q381 A385 T386 D387V347-V383 HydrophobicContact CG1-CG2 4.22Å; V347-V383 HydrophobicContact CG2-CG2 3.65Å; I351-V383 HydrophobicContact CD1-CB 4.2Å; I351-V383 HydrophobicContact CD1-CG1 4Å; I351-V383 HydrophobicContact CD1-CG2 4.06Å; V359-V383 HydrophobicContact CG2-CG1 4.16Å; V359-V383 HydrophobicContact CG2-CG2 3.52Å; F379-V383 HydrophobicContact CD1-CG2 4.1Å; F379-V383 HydrophobicContact CE1-CG2 3.8Å; F379-V383 HydrophobicContact CZ-CG2 4.27Å; F379-V383 WeakPolarHBondContact O-CG2 3.48Å; F379-V383 PolarHBondContact O-N 3.16Å; Q381-V383 VanDerWaalsContact C-N 3.29Å; Q381-V383 PolarHBondContact O-N 2.99Å; V383-A385 PolarHBondContact O-N 3.42Å; V383-T386 PolarHBondContact O-N 3.16Å; V383-D387 PolarHBondContact O-N 3.33Å
384K87.5Confident81.4Confident104 Ų10473.6 Ų73.645%0.45237%0.374SS..Hα-helixtrans-64.8-38.8-179.4-74.6178-178.8-179.10112.6A211 C380 Q381 A382 S388A211-K384 PolarHBondContact O-NZ 2.96Å; C380-K384 WeakPolarHBondContact O-CG 3.29Å; C380-K384 PolarHBondContact O-N 2.99Å; Q381-K384 PolarHBondContact O-N 3.18Å; A382-K384 PolarHBondContact O-N 3.28Å; K384-S388 WeakPolarHBondContact O-CB 3.32Å; K384-S388 PolarHBondContact O-N 3.44Å; K384-S388 PolarHBondContact O-OG 2.95Å
385A86.7Confident82Confident50 Ų5072 Ų7241%0.41337%0.365SS..Hα-helixtrans-64.4-46177.600000110.7Q381 A382 V383 S388 Q389Q381-A385 VanDerWaalsContact O-CB 3.31Å; Q381-A385 WeakPolarHBondContact O-CB 3.49Å; Q381-A385 PolarHBondContact O-N 3.12Å; A382-A385 PolarHBondContact O-N 2.85Å; V383-A385 PolarHBondContact O-N 3.42Å; A385-S388 PolarHBondContact O-N 3.09Å; A385-Q389 WeakPolarHBondContact O-CG 3.41Å; A385-Q389 PolarHBondContact O-N 3.24Å
386T90.1Very high82.3Confident2 Ų271.4 Ų71.41%0.01237%0.365CS..Hα-helixtrans-63.7-43.9176.7-49.90000112.1S348 I351 Q352 A382 V383 S388 Q389 I390S348-T386 WeakPolarHBondContact CA-OG1 3.39Å; S348-T386 WeakPolarHBondContact CB-OG1 3.41Å; S348-T386 PolarHBondContact OG-OG1 3.3Å; I351-T386 HydrophobicContact CB-CG2 3.95Å; I351-T386 HydrophobicContact CD1-CG2 4.47Å; I351-T386 HydrophobicContact CG2-CG2 3.75Å; Q352-T386 HydrophobicContact CG-CG2 4.1Å; A382-T386 PolarHBondContact O-N 3.03Å; A382-T386 PolarHBondContact O-OG1 2.9Å; V383-T386 PolarHBondContact O-N 3.16Å; T386-S388 VanDerWaalsContact C-N 3.29Å; T386-S388 PolarHBondContact O-N 3.41Å; T386-Q389 PolarHBondContact O-N 2.72Å; T386-I390 HydrophobicContact CG2-CD1 3.94Å; T386-I390 HydrophobicContact CG2-CG1 4.47Å; T386-I390 WeakPolarHBondContact O-CG1 3.38Å; T386-I390 PolarHBondContact O-N 3.49Å
387D87Confident82.6Confident71 Ų7173.9 Ų73.938%0.3838%0.379SS..Hα-helixtrans-60.2-39.6176.3-176.349.5000111.7V383 K391V383-D387 PolarHBondContact O-N 3.33Å; D387-K391 WeakPolarHBondContact O-CG 3.29Å; D387-K391 PolarHBondContact O-N 2.67Å; D387-K391 WeakPolarHBondContact OD1-CE 3.22Å; D387-K391 IonicContact OD1-NZ 3.73Å; D387-K391 VanDerWaalsContact OD2-CE 3.23Å; D387-K391 WeakPolarHBondContact OD2-CE 3.25Å; D387-K391 IonicContact OD2-NZ 3.47Å; D387-K391 PolarHBondContact OD2-NZ 3.07Å
388S83.3Confident83.2Confident64 Ų6476.5 Ų76.545%0.44839%0.392SS..Hα-helixtrans-66.4-42.1176-56.30000112K384 A385 T386 K391 L392K384-S388 WeakPolarHBondContact O-CB 3.32Å; K384-S388 PolarHBondContact O-N 3.44Å; K384-S388 PolarHBondContact O-OG 2.95Å; A385-S388 PolarHBondContact O-N 3.09Å; T386-S388 VanDerWaalsContact C-N 3.29Å; T386-S388 PolarHBondContact O-N 3.41Å; S388-K391 PolarHBondContact O-N 3.41Å; S388-L392 WeakPolarHBondContact O-CG 3.47Å; S388-L392 PolarHBondContact O-N 3.41Å; S388-L392 VanDerWaalsContact O-N 3.14Å
389Q84.6Confident83.4Confident98 Ų9879.2 Ų79.246%0.45840%0.4SS..Hα-helixtrans-62.8-44.2175.9-73.9175-10.800112.2A385 T386 K391 L392 Q393A385-Q389 WeakPolarHBondContact O-CG 3.41Å; A385-Q389 PolarHBondContact O-N 3.24Å; T386-Q389 PolarHBondContact O-N 2.72Å; Q389-K391 VanDerWaalsContact C-N 3.32Å; Q389-K391 PolarHBondContact O-N 2.94Å; Q389-L392 PolarHBondContact O-N 3.42Å; Q389-Q393 WeakPolarHBondContact O-CG 3.49Å; Q389-Q393 PolarHBondContact O-N 3.33Å
390I85.4Confident83.2Confident43 Ų4383.9 Ų83.922%0.22142%0.424CS..Hα-helixtrans-63.9-38.3178.1-69.3169000111I351 T386 L392 Q393I351-I390 HydrophobicContact CG2-CD1 3.7Å; T386-I390 HydrophobicContact CG2-CD1 3.94Å; T386-I390 HydrophobicContact CG2-CG1 4.47Å; T386-I390 WeakPolarHBondContact O-CG1 3.38Å; T386-I390 PolarHBondContact O-N 3.49Å; I390-L392 VanDerWaalsContact C-N 3.33Å; I390-L392 PolarHBondContact O-N 3.43Å; I390-Q393 PolarHBondContact O-N 2.9Å
391K80.2Confident83Confident130 Ų13089.1 Ų89.157%0.56545%0.449SS*.Hα-helixtrans-67.7-29.5176.4-75.1173.4-171.6164.20113.5D387 S388 Q389 Q393D387-K391 WeakPolarHBondContact O-CG 3.29Å; D387-K391 PolarHBondContact O-N 2.67Å; D387-K391 WeakPolarHBondContact OD1-CE 3.22Å; D387-K391 IonicContact OD1-NZ 3.73Å; D387-K391 VanDerWaalsContact OD2-CE 3.23Å; D387-K391 WeakPolarHBondContact OD2-CE 3.25Å; D387-K391 IonicContact OD2-NZ 3.47Å; D387-K391 PolarHBondContact OD2-NZ 3.07Å; S388-K391 PolarHBondContact O-N 3.41Å; Q389-K391 VanDerWaalsContact C-N 3.32Å; Q389-K391 PolarHBondContact O-N 2.94Å; K391-Q393 VanDerWaalsContact C-N 3.34Å
392L74Confident83Confident151 Ų15188.7 Ų88.779%0.79145%0.45SS*.Hα-helixtrans-78-18.4176.2-72167.3000113.3S388 Q389 I390S388-L392 WeakPolarHBondContact O-CG 3.47Å; S388-L392 PolarHBondContact O-N 3.41Å; S388-L392 VanDerWaalsContact O-N 3.14Å; Q389-L392 PolarHBondContact O-N 3.42Å; I390-L392 VanDerWaalsContact C-N 3.33Å; I390-L392 PolarHBondContact O-N 3.43Å
393Q73.9Confident82.5Confident159 Ų15994.4 Ų94.474%0.74347%0.473SS*.  trans-90.2-10.4178.5-70.9174.9-3.300113.6Q389 I390 K391Q389-Q393 WeakPolarHBondContact O-CG 3.49Å; Q389-Q393 PolarHBondContact O-N 3.33Å; I390-Q393 PolarHBondContact O-N 2.9Å; K391-Q393 VanDerWaalsContact C-N 3.34Å
394K65.8Low81.7Confident225 Ų22599.7 Ų99.798%0.97850%0.496SS*.  trans-99.10174.7-69.6-178.6179.7-1790109.8

Retrieved 394 of 394 residues in 177.9 ms (Link to these results)

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