A0A087XM94_POEFO Loading...

Methionine--tRNA ligase, cytoplasmic

AlphaFold DB , UniProt , Accession A0A087XM94, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 921 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
1M93.1Very high92.6Very high63 Ų6327.5 Ų27.531%0.3113%0.131SC..  0136.70-70.8177.1-63.900107.8V24 C26 G27 L49 F50 L51 P52 Y66 L70M1-V24 HydrophobicContact CE-CG1 3.54Å; M1-C26 VanDerWaalsContact C-SG 3.56Å; M1-C26 HydrophobicContact CB-CB 4.35Å; M1-C26 PolarHBondContact O-SG 3.2Å; M1-C26 VanDerWaalsContact O-SG 3.39Å; M1-G27 PolarHBondContact O-N 3.19Å; M1-L49 HydrophobicContact CB-CD1 4.23Å; M1-F50 VanDerWaalsContact CA-O 3.22Å; M1-F50 WeakPolarHBondContact CA-O 3.39Å; M1-L51 HydrophobicContact CG-CD2 4.25Å; M1-L51 HydrophobicContact SD-CD2 4.26Å; M1-P52 HydrophobicContact CG-CG 4.13Å; M1-Y66 HydrophobicContact SD-CE1 3.75Å; M1-L70 HydrophobicContact CE-CD1 3.8Å; M1-L70 HydrophobicContact SD-CD1 3.85Å
2E95.6Very high92.8Very high74 Ų7425.2 Ų25.235%0.34612%0.121SC..EExtended strand (participates in β ladder)trans-126.4127.2174.2-66.3-161.9134.300110.3F4 G27 Q29 F50E2-F4 HydrophobicContact CB-CE2 3.87Å; E2-F4 HydrophobicContact CB-CZ 4.18Å; E2-G27 CarbonylContact C-O 3.2Å; E2-G27 WeakPolarHBondContact CA-O 3.36Å; E2-Q29 PolarHBondContact OE1-NE2 3.18Å; E2-Q29 PolarHBondContact OE2-NE2 3.35Å; E2-F50 HydrophobicContact CB-CB 4.46Å; E2-F50 PolarHBondContact N-O 2.89Å; E2-F50 PolarHBondContact O-N 3.43Å
3L95.9Very high92.9Very high1 Ų123.2 Ų23.21%0.00511%0.111CC..EExtended strand (participates in β ladder)trans-105.1119.9179.8173.865.7000109.1V5 V15 L16 L19 G27 V28 Q29 L49 I63L3-V5 HydrophobicContact CD1-CG1 4.21Å; L3-V5 HydrophobicContact CD2-CG1 4Å; L3-V5 HydrophobicContact CG-CG1 3.84Å; L3-V15 HydrophobicContact CD1-CG1 3.47Å; L3-V15 VanDerWaalsContact CD1-CG1 3.47Å; L3-V15 HydrophobicContact CD2-CG1 3.75Å; L3-V15 HydrophobicContact CG-CG1 4.27Å; L3-L16 HydrophobicContact CD2-CD2 3.94Å; L3-L19 HydrophobicContact CD2-CD2 3.73Å; L3-G27 PolarHBondContact N-O 3.48Å; L3-V28 HydrophobicContact CB-CG2 4.48Å; L3-V28 HydrophobicContact CD2-CG2 4.39Å; L3-V28 CarbonylContact O-C 3.58Å; L3-V28 WeakPolarHBondContact O-CA 3.38Å; L3-Q29 PolarHBondContact O-N 2.94Å; L3-L49 HydrophobicContact CB-CD1 4Å; L3-L49 HydrophobicContact CD1-CB 4.36Å; L3-L49 HydrophobicContact CD1-CD1 4.45Å; L3-I63 HydrophobicContact CD1-CG2 4.5Å
4F95.7Very high93Very high26 Ų2621.8 Ų21.811%0.11410%0.104CC..EExtended strand (participates in β ladder)trans-99.3125.7176.7-59-96000109.8E2 Q29 V31 V37 P47 T48 F50E2-F4 HydrophobicContact CB-CE2 3.87Å; E2-F4 HydrophobicContact CB-CZ 4.18Å; F4-Q29 WeakPolarHBondContact CA-O 3.32Å; F4-Q29 HydrophobicContact CD1-CB 3.91Å; F4-Q29 HydrophobicContact CE1-CB 4.13Å; F4-Q29 HydrophobicContact CE1-CG 4.35Å; F4-V31 HydrophobicContact CB-CG2 4.4Å; F4-V31 HydrophobicContact CD1-CG1 3.95Å; F4-V37 HydrophobicContact CB-CB 4.44Å; F4-V37 HydrophobicContact CB-CG1 3.79Å; F4-V37 HydrophobicContact CB-CG2 3.89Å; F4-V37 HydrophobicContact CD1-CG1 3.75Å; F4-V37 HydrophobicContact CD1-CG2 3.93Å; F4-V37 HydrophobicContact CD2-CG1 3.36Å; F4-V37 HydrophobicContact CE1-CG1 4.13Å; F4-V37 HydrophobicContact CE2-CG1 3.8Å; F4-V37 HydrophobicContact CG-CB 4.32Å; F4-V37 HydrophobicContact CG-CG1 3.34Å; F4-V37 HydrophobicContact CG-CG2 3.98Å; F4-V37 HydrophobicContact CZ-CG1 4.17Å; F4-P47 VanDerWaalsContact O-CA 3.31Å; F4-P47 WeakPolarHBondContact O-CA 3.42Å; F4-T48 PolarHBondContact N-O 3.39Å; F4-T48 PolarHBondContact O-N 3.48Å; F4-F50 HydrophobicContact CE2-CB 4Å
5V94.6Very high93.2Very high0 Ų020.3 Ų20.30%010%0.097CC..EExtended strand (participates in β ladder)trans-135.6159.8-174-72.70000110.7L3 C12 L16 V28 Q29 F30 V31 P47L3-V5 HydrophobicContact CD1-CG1 4.21Å; L3-V5 HydrophobicContact CD2-CG1 4Å; L3-V5 HydrophobicContact CG-CG1 3.84Å; V5-C12 HydrophobicContact CB-CB 4.03Å; V5-C12 HydrophobicContact CG1-CB 4.07Å; V5-L16 HydrophobicContact CB-CD1 4.18Å; V5-L16 HydrophobicContact CG1-CD1 4.06Å; V5-L16 HydrophobicContact CG1-CD2 4.17Å; V5-L16 HydrophobicContact CG1-CG 3.87Å; V5-L16 HydrophobicContact CG2-CD1 4.12Å; V5-L16 HydrophobicContact CG2-CD2 4.41Å; V5-V28 HydrophobicContact CG2-CG1 3.62Å; V5-Q29 WeakPolarHBondContact CG2-O 3.38Å; V5-Q29 PolarHBondContact N-O 3.47Å; V5-F30 HydrophobicContact CG2-CD1 3.94Å; V5-F30 HydrophobicContact CG2-CD2 3.96Å; V5-F30 HydrophobicContact CG2-CE1 3.85Å; V5-F30 HydrophobicContact CG2-CE2 3.86Å; V5-F30 HydrophobicContact CG2-CG 4Å; V5-F30 HydrophobicContact CG2-CZ 3.8Å; V5-F30 CarbonylContact O-C 3.55Å; V5-F30 VanDerWaalsContact O-CA 3.32Å; V5-F30 WeakPolarHBondContact O-CA 3.48Å; V5-V31 WeakPolarHBondContact O-CG2 3.41Å; V5-V31 PolarHBondContact O-N 3.39Å; V5-P47 HydrophobicContact CG1-CB 4.47Å
6S92.4Very high93.4Very high1 Ų119.3 Ų19.31%0.0079%0.092CC..  trans-129.5144.7176.957.10000110.1N9 C12 V31 H33S6-N9 VanDerWaalsContact OG-CB 3.22Å; S6-N9 WeakPolarHBondContact OG-CB 3.09Å; S6-N9 PolarHBondContact OG-ND2 2.69Å; S6-C12 PolarHBondContact N-SG 3.17Å; S6-V31 WeakPolarHBondContact CB-O 3.24Å; S6-H33 WeakPolarHBondContact CB-ND1 3.34Å; S6-H33 PolarHBondContact OG-ND1 2.99Å; S6-H33 VanDerWaalsContact OG-ND1 3.13Å
7E90.3Very high93.5Very high93 Ų9318.1 Ų18.144%0.4359%0.087SC..THydrogen-bonded Turntrans-65.7144.5176.3-56.2-172155.100110.3N9 F30 H33 Q188E7-N9 PolarHBondContact O-N 2.71Å; E7-N9 VanDerWaalsContact O-N 3.15Å; E7-F30 HydrophobicContact CG-CD1 3.8Å; E7-F30 HydrophobicContact CG-CE1 4.12Å; E7-H33 PolarHBondContact O-CE1 3.41Å; E7-H33 PolarHBondContact O-NE2 3.17Å; E7-H33 VanDerWaalsContact O-NE2 3.15Å; E7-Q188 PolarHBondContact OE1-NE2 2.92Å; E7-Q188 PolarHBondContact OE2-NE2 3.33Å
8G87.8Confident93.6Very high1 Ų117.1 Ų17.11%0.018%0.082CC..THydrogen-bonded Turntrans730.1177.900000116.1V186 A194 M195 Y198G8-V186 PolarHBondContact N-O 2.81Å; G8-A194 WeakPolarHBondContact CA-O 3.38Å; G8-M195 WeakPolarHBondContact O-CA 3.38Å; G8-Y198 WeakPolarHBondContact O-CB 3.43Å
9N91.2Very high93.7Very high4 Ų416.6 Ų16.62%0.0218%0.08CC..  trans-92.2116.3176.4-178.4-19.5000111.1S6 E7 H11 C12 L13 V46 V186 Y198S6-N9 VanDerWaalsContact OG-CB 3.22Å; S6-N9 WeakPolarHBondContact OG-CB 3.09Å; S6-N9 PolarHBondContact OG-ND2 2.69Å; E7-N9 PolarHBondContact O-N 2.71Å; E7-N9 VanDerWaalsContact O-N 3.15Å; N9-H11 PolarHBondContact O-N 3.41Å; N9-H11 WeakPolarHBondContact OD1-CB 3.35Å; N9-H11 PolarHBondContact OD1-N 3.14Å; N9-C12 HydrophobicContact CB-CB 4.14Å; N9-C12 WeakPolarHBondContact O-CB 3.45Å; N9-C12 PolarHBondContact O-N 2.81Å; N9-L13 PolarHBondContact O-N 2.6Å; N9-V46 PolarHBondContact ND2-O 3.08Å; N9-V186 WeakPolarHBondContact O-CG1 3.08Å; N9-Y198 HydrophobicContact CB-CD2 3.98Å; N9-Y198 HydrophobicContact CB-CE2 4.26Å; N9-Y198 HydrophobicContact CB-CG 4.28Å
10P89Confident93.7Very high9 Ų920.3 Ų20.36%0.05810%0.095CC..Hα-helixtrans-61.4-28.3-17924.5-32.7000113.3L13 K14 L98 P151 M195 Y198P10-L13 WeakPolarHBondContact O-CB 3.39Å; P10-L13 PolarHBondContact O-N 3.19Å; P10-K14 PolarHBondContact O-N 3.44Å; P10-L98 HydrophobicContact CG-CD1 4.39Å; P10-P151 HydrophobicContact CB-CG 4.37Å; P10-M195 HydrophobicContact CB-CE 3.98Å; P10-M195 HydrophobicContact CB-SD 4.49Å; P10-Y198 HydrophobicContact CG-CD1 4.18Å; P10-Y198 HydrophobicContact CG-CE1 3.71Å
11H93.3Very high93.6Very high30 Ų3021.4 Ų21.414%0.13910%0.103CC..Hα-helixtrans-71.3-32.8175.7-63.6-72000112.2N9 L13 K14 V15 P47 S60 Q91 Y198N9-H11 PolarHBondContact O-N 3.41Å; N9-H11 WeakPolarHBondContact OD1-CB 3.35Å; N9-H11 PolarHBondContact OD1-N 3.14Å; H11-L13 VanDerWaalsContact C-N 3.29Å; H11-L13 PolarHBondContact O-N 3.03Å; H11-K14 PolarHBondContact O-N 3.17Å; H11-V15 PolarHBondContact O-N 2.88Å; H11-P47 HydrophobicContact CB-CG 4.08Å; H11-S60 PolarHBondContact ND1-OG 2.88Å; H11-Q91 PolarHBondContact CE1-NE2 3.48Å; H11-Q91 PolarHBondContact NE2-NE2 2.89Å; H11-Y198 PolarHBondContact CD2-OH 3.09Å
12C94.3Very high93.6Very high0 Ų019.4 Ų19.40%010%0.095CC..Hα-helixtrans-68-31.2174.2-64.10000112V5 S6 N9 V15 L16 V186V5-C12 HydrophobicContact CB-CB 4.03Å; V5-C12 HydrophobicContact CG1-CB 4.07Å; S6-C12 PolarHBondContact N-SG 3.17Å; N9-C12 HydrophobicContact CB-CB 4.14Å; N9-C12 WeakPolarHBondContact O-CB 3.45Å; N9-C12 PolarHBondContact O-N 2.81Å; C12-V15 PolarHBondContact O-N 2.91Å; C12-L16 WeakPolarHBondContact O-CB 3.43Å; C12-L16 WeakPolarHBondContact O-CG 3.11Å; C12-L16 PolarHBondContact O-N 2.95Å; C12-V186 HydrophobicContact CB-CG2 4.43Å
13L94.4Very high93.3Very high0 Ų018 Ų180%010%0.101CC..Hα-helixtrans-60.2-48174.1177.654.4000111.3N9 P10 H11 V15 L16 A17 W146 H150 P151 A182 A183 V186 L187N9-L13 PolarHBondContact O-N 2.6Å; P10-L13 WeakPolarHBondContact O-CB 3.39Å; P10-L13 PolarHBondContact O-N 3.19Å; H11-L13 VanDerWaalsContact C-N 3.29Å; H11-L13 PolarHBondContact O-N 3.03Å; L13-V15 PolarHBondContact O-N 3.46Å; L13-L16 PolarHBondContact O-N 2.95Å; L13-A17 VanDerWaalsContact O-CB 3.26Å; L13-A17 WeakPolarHBondContact O-CB 3.4Å; L13-A17 PolarHBondContact O-N 2.81Å; L13-W146 HydrophobicContact CD1-CH2 4.5Å; L13-W146 HydrophobicContact CD1-CZ3 4.27Å; L13-W146 HydrophobicContact CG-CZ3 4.49Å; L13-H150 HydrophobicContact CD2-CB 4.08Å; L13-P151 HydrophobicContact CD2-CG 4.32Å; L13-A182 VanDerWaalsContact CD1-C 3.45Å; L13-A182 HydrophobicContact CD1-CB 3.86Å; L13-A183 VanDerWaalsContact CD1-CA 3.46Å; L13-A183 HydrophobicContact CD1-CB 4.11Å; L13-A183 VanDerWaalsContact CD1-N 3.33Å; L13-V186 HydrophobicContact CB-CB 4.34Å; L13-V186 HydrophobicContact CB-CG1 4.2Å; L13-V186 HydrophobicContact CB-CG2 4.35Å; L13-L187 HydrophobicContact CD2-CD1 4.36Å
14K94.7Very high93.1Very high3 Ų319 Ų191%0.01311%0.106CC..Hα-helixtrans-54.3-51.8177-61.6173.9175.9-175.30111.8P10 H11 A17 A18 E86 V144 A148P10-K14 PolarHBondContact O-N 3.44Å; H11-K14 PolarHBondContact O-N 3.17Å; K14-A17 PolarHBondContact O-N 3.04Å; K14-A18 PolarHBondContact O-N 2.97Å; K14-E86 IonicContact NZ-OE1 3.39Å; K14-E86 PolarHBondContact NZ-OE1 3.46Å; K14-E86 IonicContact NZ-OE2 3.4Å; K14-E86 PolarHBondContact NZ-OE2 2.84Å; K14-V144 HydrophobicContact CD-CG1 4.33Å; K14-A148 VanDerWaalsContact CE-CB 3.49Å
15V96.3Very high92.8Very high0 Ų026 Ų260%014%0.14CC..Hα-helixtrans-71.2-39.1-173.4179.60000111.8L3 H11 C12 L13 A18 L19 P47 I63 L67L3-V15 HydrophobicContact CD1-CG1 3.47Å; L3-V15 VanDerWaalsContact CD1-CG1 3.47Å; L3-V15 HydrophobicContact CD2-CG1 3.75Å; L3-V15 HydrophobicContact CG-CG1 4.27Å; H11-V15 PolarHBondContact O-N 2.88Å; C12-V15 PolarHBondContact O-N 2.91Å; L13-V15 PolarHBondContact O-N 3.46Å; V15-A18 PolarHBondContact O-N 3.33Å; V15-L19 WeakPolarHBondContact O-CB 3.48Å; V15-L19 PolarHBondContact O-N 2.94Å; V15-P47 HydrophobicContact CB-CB 4.34Å; V15-P47 HydrophobicContact CB-CG 4.44Å; V15-P47 HydrophobicContact CG2-CB 4.07Å; V15-P47 HydrophobicContact CG2-CG 3.71Å; V15-I63 HydrophobicContact CB-CG2 4.49Å; V15-I63 HydrophobicContact CG1-CB 4.12Å; V15-I63 HydrophobicContact CG1-CG2 3.38Å; V15-I63 HydrophobicContact CG2-CB 4.11Å; V15-I63 HydrophobicContact CG2-CD1 4.26Å; V15-I63 HydrophobicContact CG2-CG2 4.29Å; V15-L67 HydrophobicContact CG1-CD1 4.26Å
16L95.9Very high92.7Very high3 Ų327 Ų272%0.01615%0.146CC..Hα-helixtrans-67.2-38.1174.5-77.4169.8000112.1L3 V5 C12 L13 L19 K20 V28 F30 A182 V186L3-L16 HydrophobicContact CD2-CD2 3.94Å; V5-L16 HydrophobicContact CB-CD1 4.18Å; V5-L16 HydrophobicContact CG1-CD1 4.06Å; V5-L16 HydrophobicContact CG1-CD2 4.17Å; V5-L16 HydrophobicContact CG1-CG 3.87Å; V5-L16 HydrophobicContact CG2-CD1 4.12Å; V5-L16 HydrophobicContact CG2-CD2 4.41Å; C12-L16 WeakPolarHBondContact O-CB 3.43Å; C12-L16 WeakPolarHBondContact O-CG 3.11Å; C12-L16 PolarHBondContact O-N 2.95Å; L13-L16 PolarHBondContact O-N 2.95Å; L16-L19 PolarHBondContact O-N 3.45Å; L16-K20 WeakPolarHBondContact O-CB 3.24Å; L16-K20 VanDerWaalsContact O-CG 3.23Å; L16-K20 WeakPolarHBondContact O-CG 3.47Å; L16-K20 PolarHBondContact O-N 2.99Å; L16-V28 HydrophobicContact CD2-CG1 3.81Å; L16-V28 HydrophobicContact CD2-CG2 4.3Å; L16-F30 HydrophobicContact CD1-CZ 4.12Å; L16-A182 HydrophobicContact CB-CB 3.82Å; L16-V186 HydrophobicContact CD1-CG2 3.34Å
17A95.4Very high92.8Very high0 Ų028.7 Ų28.70%016%0.164CC..Hα-helixtrans-62.4-47.4174.100000110.1L13 K14 L19 K20 V21 V143 W146 A182L13-A17 VanDerWaalsContact O-CB 3.26Å; L13-A17 WeakPolarHBondContact O-CB 3.4Å; L13-A17 PolarHBondContact O-N 2.81Å; K14-A17 PolarHBondContact O-N 3.04Å; A17-L19 PolarHBondContact O-N 3.09Å; A17-K20 PolarHBondContact O-N 2.91Å; A17-V21 WeakPolarHBondContact O-CB 3.39Å; A17-V21 WeakPolarHBondContact O-CG2 3.22Å; A17-V21 PolarHBondContact O-N 3.31Å; A17-V143 HydrophobicContact CB-CG1 3.6Å; A17-W146 HydrophobicContact CB-CZ3 4.06Å; A17-A182 HydrophobicContact CB-CB 3.82Å; A17-A182 VanDerWaalsContact N-CB 3.32Å
18A95.1Very high93Very high0 Ų026.8 Ų26.80%016%0.158CC..Hα-helixtrans-59.8-44.6176.800000112.3K14 V15 K20 V21 T22 C64 L67 F68 V143K14-A18 PolarHBondContact O-N 2.97Å; V15-A18 PolarHBondContact O-N 3.33Å; A18-K20 VanDerWaalsContact C-N 3.33Å; A18-K20 PolarHBondContact O-N 3.38Å; A18-V21 PolarHBondContact O-N 3.49Å; A18-T22 WeakPolarHBondContact O-CB 3.41Å; A18-T22 WeakPolarHBondContact O-CG2 3.11Å; A18-T22 PolarHBondContact O-N 2.93Å; A18-T22 PolarHBondContact O-OG1 2.92Å; A18-C64 HydrophobicContact CB-CB 3.9Å; A18-L67 HydrophobicContact CB-CD1 4.27Å; A18-F68 HydrophobicContact CB-CD2 4.3Å; A18-F68 HydrophobicContact CB-CE2 3.97Å; A18-V143 HydrophobicContact CB-CG1 4.15Å
19L95.3Very high93.4Very high7 Ų730.5 Ų30.54%0.03718%0.176CC..Hα-helixtrans-60.5-42176.5-179.163.3000112.1L3 V15 L16 A17 T22 G23 V24 C26 V28 L67L3-L19 HydrophobicContact CD2-CD2 3.73Å; V15-L19 WeakPolarHBondContact O-CB 3.48Å; V15-L19 PolarHBondContact O-N 2.94Å; L16-L19 PolarHBondContact O-N 3.45Å; A17-L19 PolarHBondContact O-N 3.09Å; L19-T22 PolarHBondContact O-OG1 2.97Å; L19-G23 PolarHBondContact O-N 3.32Å; L19-V24 HydrophobicContact CD1-CB 4.06Å; L19-V24 HydrophobicContact CD1-CG1 4.43Å; L19-V24 VanDerWaalsContact CD1-O 3.26Å; L19-V24 WeakPolarHBondContact CD1-O 3.49Å; L19-C26 HydrophobicContact CD1-CB 3.58Å; L19-C26 HydrophobicContact CD2-CB 4.06Å; L19-C26 HydrophobicContact CG-CB 4.49Å; L19-V28 HydrophobicContact CD2-CG2 3.48Å; L19-V28 VanDerWaalsContact CD2-CG2 3.48Å; L19-L67 HydrophobicContact CB-CD1 3.92Å; L19-L67 HydrophobicContact CD1-CD1 4.35Å; L19-L67 HydrophobicContact CD1-CD2 3.86Å
20K93.7Very high93.5Very high91 Ų9134.5 Ų34.540%0.39619%0.193SC..Hα-helixtrans-76.5-34.1-178.2-69-68.6175.7-164.20113.5L16 A17 A18L16-K20 WeakPolarHBondContact O-CB 3.24Å; L16-K20 VanDerWaalsContact O-CG 3.23Å; L16-K20 WeakPolarHBondContact O-CG 3.47Å; L16-K20 PolarHBondContact O-N 2.99Å; A17-K20 PolarHBondContact O-N 2.91Å; A18-K20 VanDerWaalsContact C-N 3.33Å; A18-K20 PolarHBondContact O-N 3.38Å
21V92.6Very high93.6Very high43 Ų4335.9 Ų35.926%0.26120%0.201SC..Hα-helixtrans-69.7-42.6175.9169.80000110.5A17 A18 F68 V138 V143 V176A17-V21 WeakPolarHBondContact O-CB 3.39Å; A17-V21 WeakPolarHBondContact O-CG2 3.22Å; A17-V21 PolarHBondContact O-N 3.31Å; A18-V21 PolarHBondContact O-N 3.49Å; V21-F68 HydrophobicContact CG1-CE1 4.46Å; V21-F68 HydrophobicContact CG1-CZ 3.88Å; V21-V138 HydrophobicContact CG1-CG1 4.44Å; V21-V143 HydrophobicContact CB-CG2 4.42Å; V21-V143 HydrophobicContact CG1-CG2 4.29Å; V21-V143 HydrophobicContact CG2-CG2 4.13Å; V21-V176 HydrophobicContact CG2-CG1 3.8Å
22T91.9Very high93.2Very high21 Ų2139.3 Ų39.313%0.12922%0.22CC..Hα-helixtrans-74.2-32.8178.657.20000111.8A18 L19 V24 L67 F68 N71A18-T22 WeakPolarHBondContact O-CB 3.41Å; A18-T22 WeakPolarHBondContact O-CG2 3.11Å; A18-T22 PolarHBondContact O-N 2.93Å; A18-T22 PolarHBondContact O-OG1 2.92Å; L19-T22 PolarHBondContact O-OG1 2.97Å; T22-V24 PolarHBondContact O-N 3.05Å; T22-L67 WeakPolarHBondContact CG2-O 3.31Å; T22-F68 HydrophobicContact CG2-CB 4.31Å; T22-F68 HydrophobicContact CG2-CD1 4.04Å; T22-F68 HydrophobicContact CG2-CD2 3.51Å; T22-F68 HydrophobicContact CG2-CE1 4.25Å; T22-F68 HydrophobicContact CG2-CE2 3.76Å; T22-F68 HydrophobicContact CG2-CG 3.68Å; T22-F68 HydrophobicContact CG2-CZ 4.13Å; T22-N71 PolarHBondContact O-ND2 2.82Å
23G89.3Confident92.6Very high46 Ų4641 Ų4147%0.47423%0.228SC..THydrogen-bonded Turntrans76.112.6-177.200000113.8L19 Q25L19-G23 PolarHBondContact O-N 3.32Å; G23-Q25 PolarHBondContact O-N 3.3Å
24V91.8Very high91.7Very high20 Ų2046.6 Ų46.612%0.12125%0.254CS..  trans-58.9135.8175.8171.40000110.1M1 L19 T22 C26 L67 L70M1-V24 HydrophobicContact CE-CG1 3.54Å; L19-V24 HydrophobicContact CD1-CB 4.06Å; L19-V24 HydrophobicContact CD1-CG1 4.43Å; L19-V24 VanDerWaalsContact CD1-O 3.26Å; L19-V24 WeakPolarHBondContact CD1-O 3.49Å; T22-V24 PolarHBondContact O-N 3.05Å; V24-C26 PolarHBondContact O-N 2.84Å; V24-L67 HydrophobicContact CB-CD2 4.26Å; V24-L67 HydrophobicContact CG1-CD2 4.08Å; V24-L67 WeakPolarHBondContact CG2-O 3.49Å; V24-L70 HydrophobicContact CG1-CD1 3.9Å; V24-L70 HydrophobicContact CG2-CB 4.01Å; V24-L70 HydrophobicContact CG2-CD1 4.42Å
25Q90.1Very high90.7Very high175 Ų17547.4 Ų47.482%0.81826%0.263SS*.  trans-75.5106.2176.2-64.3-64.1-30.200109.9G23G23-Q25 PolarHBondContact O-N 3.3Å
26C92.8Very high89.9Confident21 Ų2154.7 Ų54.714%0.14230%0.295CS..  trans-140.4132.2177-173.30000109.3M1 L19 V24 L49M1-C26 VanDerWaalsContact C-SG 3.56Å; M1-C26 HydrophobicContact CB-CB 4.35Å; M1-C26 PolarHBondContact O-SG 3.2Å; M1-C26 VanDerWaalsContact O-SG 3.39Å; L19-C26 HydrophobicContact CD1-CB 3.58Å; L19-C26 HydrophobicContact CD2-CB 4.06Å; L19-C26 HydrophobicContact CG-CB 4.49Å; V24-C26 PolarHBondContact O-N 2.84Å; C26-L49 VanDerWaalsContact SG-CD1 3.53Å
27G93.6Very high89.3Confident36 Ų3655.7 Ų55.737%0.37130%0.301SS..EExtended strand (participates in β ladder)trans-61.8140.8169.100000109.4M1 E2 L3M1-G27 PolarHBondContact O-N 3.19Å; E2-G27 CarbonylContact C-O 3.2Å; E2-G27 WeakPolarHBondContact CA-O 3.36Å; L3-G27 PolarHBondContact N-O 3.48Å
28V95.8Very high88.8Confident53 Ų5355.8 Ų55.832%0.32130%0.302SS..EExtended strand (participates in β ladder)trans-121.9121.2178.3-179.60000108.7L3 V5 L16 L19 F30L3-V28 HydrophobicContact CB-CG2 4.48Å; L3-V28 HydrophobicContact CD2-CG2 4.39Å; L3-V28 CarbonylContact O-C 3.58Å; L3-V28 WeakPolarHBondContact O-CA 3.38Å; V5-V28 HydrophobicContact CG2-CG1 3.62Å; L16-V28 HydrophobicContact CD2-CG1 3.81Å; L16-V28 HydrophobicContact CD2-CG2 4.3Å; L19-V28 HydrophobicContact CD2-CG2 3.48Å; L19-V28 VanDerWaalsContact CD2-CG2 3.48Å; V28-F30 HydrophobicContact CG1-CD2 4.33Å; V28-F30 HydrophobicContact CG1-CE2 3.93Å
29Q94.7Very high88Confident79 Ų7960.9 Ų60.937%0.36934%0.335SS..EExtended strand (participates in β ladder)trans-115.5127.7177.8-61-168.512.300110.1E2 L3 F4 V5E2-Q29 PolarHBondContact OE1-NE2 3.18Å; E2-Q29 PolarHBondContact OE2-NE2 3.35Å; L3-Q29 PolarHBondContact O-N 2.94Å; F4-Q29 WeakPolarHBondContact CA-O 3.32Å; F4-Q29 HydrophobicContact CD1-CB 3.91Å; F4-Q29 HydrophobicContact CE1-CB 4.13Å; F4-Q29 HydrophobicContact CE1-CG 4.35Å; V5-Q29 WeakPolarHBondContact CG2-O 3.38Å; V5-Q29 PolarHBondContact N-O 3.47Å
30F92.8Very high87.4Confident88 Ų8867 Ų6739%0.38636%0.362SS..EExtended strand (participates in β ladder)trans-89.1122.1173.9-80-99.1000109.6V5 E7 L16 V28 K185V5-F30 HydrophobicContact CG2-CD1 3.94Å; V5-F30 HydrophobicContact CG2-CD2 3.96Å; V5-F30 HydrophobicContact CG2-CE1 3.85Å; V5-F30 HydrophobicContact CG2-CE2 3.86Å; V5-F30 HydrophobicContact CG2-CG 4Å; V5-F30 HydrophobicContact CG2-CZ 3.8Å; V5-F30 CarbonylContact O-C 3.55Å; V5-F30 VanDerWaalsContact O-CA 3.32Å; V5-F30 WeakPolarHBondContact O-CA 3.48Å; E7-F30 HydrophobicContact CG-CD1 3.8Å; E7-F30 HydrophobicContact CG-CE1 4.12Å; L16-F30 HydrophobicContact CD1-CZ 4.12Å; V28-F30 HydrophobicContact CG1-CD2 4.33Å; V28-F30 HydrophobicContact CG1-CE2 3.93Å; F30-K185 HydrophobicContact CZ-CB 4.29Å
31V92.1Very high86.8Confident37 Ų3764.7 Ų64.722%0.22435%0.353CS..  trans-120.7156.6-179.6-630000110.3F4 V5 S6 V37 V46F4-V31 HydrophobicContact CB-CG2 4.4Å; F4-V31 HydrophobicContact CD1-CG1 3.95Å; V5-V31 WeakPolarHBondContact O-CG2 3.41Å; V5-V31 PolarHBondContact O-N 3.39Å; S6-V31 WeakPolarHBondContact CB-O 3.24Å; V31-V37 HydrophobicContact CG1-CG2 4.27Å; V31-V37 HydrophobicContact CG2-CG2 4.02Å; V31-V46 HydrophobicContact CG2-CG1 4.1Å; V31-V46 HydrophobicContact CG2-CG2 3.85Å
32N85.6Confident85.9Confident102 Ų10268.4 Ų68.455%0.54538%0.378SS..  trans-61.3150.8168.8-172.8-13.6000109.5E34 G35N32-E34 PolarHBondContact O-N 3.31Å; N32-E34 PolarHBondContact OD1-N 2.81Å; N32-G35 PolarHBondContact O-N 3.36Å
33H80.5Confident85.3Confident35 Ų3577 Ų7716%0.16241%0.408CS..THydrogen-bonded Turntrans-51.6-23.5171.9-62.7-57.4000114.2S6 E7 P44 K201S6-H33 WeakPolarHBondContact CB-ND1 3.34Å; S6-H33 PolarHBondContact OG-ND1 2.99Å; S6-H33 VanDerWaalsContact OG-ND1 3.13Å; E7-H33 PolarHBondContact O-CE1 3.41Å; E7-H33 PolarHBondContact O-NE2 3.17Å; E7-H33 VanDerWaalsContact O-NE2 3.15Å; H33-P44 WeakPolarHBondContact O-CB 3.33Å; H33-K201 HydrophobicContact CB-CD 4.34Å
34E75.6Confident84.9Confident118 Ų11877.6 Ų77.655%0.55140%0.404SS*.THydrogen-bonded Turntrans-96.52.7177.8-71.9168.9-156.500114.1N32 K36 K201N32-E34 PolarHBondContact O-N 3.31Å; N32-E34 PolarHBondContact OD1-N 2.81Å; E34-K36 PolarHBondContact O-N 3.1Å; E34-K36 VanDerWaalsContact O-N 3.14Å; E34-K201 IonicContact OE1-NZ 3.32Å; E34-K201 PolarHBondContact OE1-NZ 3.11Å
35G74.2Confident84.5Confident20 Ų2077.6 Ų77.621%0.20641%0.406CS..  trans-60.2116.7178.300000111.2N32 V37N32-G35 PolarHBondContact O-N 3.36Å; G35-V37 VanDerWaalsContact C-N 3.25Å; G35-V37 PolarHBondContact O-N 3.05Å
36K78.9Confident84.4Confident154 Ų15470.3 Ų70.367%0.6737%0.374SS*.  trans-76.778.5170.1-75.1-169.9176.4-174.80110E34E34-K36 PolarHBondContact O-N 3.1Å; E34-K36 VanDerWaalsContact O-N 3.14Å
37V84.1Confident84.5Confident23 Ų2369.6 Ų69.614%0.13937%0.368CS..  trans-74.5-33.3176.7178.30000111.5F4 V31 G35 P39 V46 T48F4-V37 HydrophobicContact CB-CB 4.44Å; F4-V37 HydrophobicContact CB-CG1 3.79Å; F4-V37 HydrophobicContact CB-CG2 3.89Å; F4-V37 HydrophobicContact CD1-CG1 3.75Å; F4-V37 HydrophobicContact CD1-CG2 3.93Å; F4-V37 HydrophobicContact CD2-CG1 3.36Å; F4-V37 HydrophobicContact CE1-CG1 4.13Å; F4-V37 HydrophobicContact CE2-CG1 3.8Å; F4-V37 HydrophobicContact CG-CB 4.32Å; F4-V37 HydrophobicContact CG-CG1 3.34Å; F4-V37 HydrophobicContact CG-CG2 3.98Å; F4-V37 HydrophobicContact CZ-CG1 4.17Å; V31-V37 HydrophobicContact CG1-CG2 4.27Å; V31-V37 HydrophobicContact CG2-CG2 4.02Å; G35-V37 VanDerWaalsContact C-N 3.25Å; G35-V37 PolarHBondContact O-N 3.05Å; V37-P39 WeakPolarHBondContact O-CD 3.4Å; V37-V46 HydrophobicContact CG2-CG2 4.32Å; V37-T48 HydrophobicContact CG1-CG2 3.97Å
38V84.7Confident84.5Confident3 Ų367.9 Ų67.92%0.01835%0.351CS..SBendtrans-105.2106.8178.6-172.10000108.6F40 L41 T48 H56V38-F40 HydrophobicContact CG1-CD1 3.9Å; V38-F40 HydrophobicContact CG1-CD2 3.84Å; V38-F40 HydrophobicContact CG1-CE1 3.46Å; V38-F40 VanDerWaalsContact CG1-CE1 3.46Å; V38-F40 HydrophobicContact CG1-CE2 3.39Å; V38-F40 HydrophobicContact CG1-CG 4.09Å; V38-F40 HydrophobicContact CG1-CZ 3.19Å; V38-F40 PolarHBondContact O-N 2.82Å; V38-F40 VanDerWaalsContact O-N 3.16Å; V38-L41 HydrophobicContact CB-CB 4.29Å; V38-L41 HydrophobicContact CB-CD1 3.8Å; V38-L41 HydrophobicContact CB-CG 3.98Å; V38-L41 HydrophobicContact CG1-CB 4.36Å; V38-L41 HydrophobicContact CG1-CD1 3.83Å; V38-L41 HydrophobicContact CG1-CG 3.68Å; V38-L41 HydrophobicContact CG2-CD1 4.09Å; V38-L41 PolarHBondContact O-N 3.36Å; V38-T48 HydrophobicContact CG2-CG2 3.66Å; V38-H56 HydrophobicContact CG1-CB 4.41Å; V38-H56 HydrophobicContact CG2-CB 4.24Å
39P78.9Confident84.5Confident107 Ų10765.4 Ų65.470%0.69534%0.336SS*.THydrogen-bonded Turntrans-62.2-29-167.8-25.234.1000114.7V37V37-P39 WeakPolarHBondContact O-CD 3.4Å
40F82.4Confident84.5Confident136 Ų13665 Ų6560%0.59633%0.333SS*.THydrogen-bonded Turntrans-93.4-3.2-17554.4-99000114.1V38 H56V38-F40 HydrophobicContact CG1-CD1 3.9Å; V38-F40 HydrophobicContact CG1-CD2 3.84Å; V38-F40 HydrophobicContact CG1-CE1 3.46Å; V38-F40 VanDerWaalsContact CG1-CE1 3.46Å; V38-F40 HydrophobicContact CG1-CE2 3.39Å; V38-F40 HydrophobicContact CG1-CG 4.09Å; V38-F40 HydrophobicContact CG1-CZ 3.19Å; V38-F40 PolarHBondContact O-N 2.82Å; V38-F40 VanDerWaalsContact O-N 3.16Å; F40-H56 AromaticContact CE1-ND1 3.96Å
41L79.9Confident84.5Confident41 Ų4161.2 Ų61.222%0.21532%0.317CS..  trans-86.3134.1176.5-70.7-179.5000111V38 R43 A45 F58V38-L41 HydrophobicContact CB-CB 4.29Å; V38-L41 HydrophobicContact CB-CD1 3.8Å; V38-L41 HydrophobicContact CB-CG 3.98Å; V38-L41 HydrophobicContact CG1-CB 4.36Å; V38-L41 HydrophobicContact CG1-CD1 3.83Å; V38-L41 HydrophobicContact CG1-CG 3.68Å; V38-L41 HydrophobicContact CG2-CD1 4.09Å; V38-L41 PolarHBondContact O-N 3.36Å; L41-R43 PolarHBondContact O-N 3.08Å; L41-A45 HydrophobicContact CD1-CB 3.5Å; L41-F58 HydrophobicContact CD1-CD1 4.2Å; L41-F58 HydrophobicContact CD1-CD2 4.39Å; L41-F58 HydrophobicContact CD1-CE1 4.45Å; L41-F58 HydrophobicContact CD1-CG 4.17Å
42P74.6Confident84.2Confident121 Ų12164.6 Ų64.679%0.78634%0.339SS*.SBendtrans-70.6-17.2-179.928.5-34.9000112.8
43R78.6Confident84.3Confident201 Ų20163.5 Ų63.576%0.75834%0.34SS*.SBendtrans-127.2148177.4-63.9-176.2-177.5-177.60.6110.4L41 A45L41-R43 PolarHBondContact O-N 3.08Å; R43-A45 PolarHBondContact O-N 3.49Å
44P81.8Confident84.7Confident59 Ų5963.8 Ų63.838%0.38335%0.352SS..  trans-54.5131.7172-23.633.5000111.2H33H33-P44 WeakPolarHBondContact O-CB 3.33Å
45A83.2Confident85.4Confident21 Ų2164 Ų6417%0.17435%0.353CS..  trans-125.3106.2178.200000109.2L41 R43 T48 F58L41-A45 HydrophobicContact CD1-CB 3.5Å; R43-A45 PolarHBondContact O-N 3.49Å; A45-T48 PolarHBondContact O-OG1 2.96Å; A45-F58 HydrophobicContact CB-CB 4.11Å
46V88.6Confident86.2Confident22 Ų2265 Ų6513%0.13335%0.352CS..  trans-138.2129.2178-176.10000106.8N9 V31 V37N9-V46 PolarHBondContact ND2-O 3.08Å; V31-V46 HydrophobicContact CG2-CG1 4.1Å; V31-V46 HydrophobicContact CG2-CG2 3.85Å; V37-V46 HydrophobicContact CG2-CG2 4.32Å
47P93.6Very high86.9Confident5 Ų559.4 Ų59.43%0.03233%0.329CS..SBendcis-74.8148.69.831.6-36.2000114.2F4 V5 H11 V15 I63F4-P47 VanDerWaalsContact O-CA 3.31Å; F4-P47 WeakPolarHBondContact O-CA 3.42Å; V5-P47 HydrophobicContact CG1-CB 4.47Å; H11-P47 HydrophobicContact CB-CG 4.08Å; V15-P47 HydrophobicContact CB-CB 4.34Å; V15-P47 HydrophobicContact CB-CG 4.44Å; V15-P47 HydrophobicContact CG2-CB 4.07Å; V15-P47 HydrophobicContact CG2-CG 3.71Å; P47-I63 HydrophobicContact CB-CD1 4.32Å; P47-I63 HydrophobicContact CG-CD1 4.37Å
48T94.4Very high87.2Confident0 Ų063.2 Ų63.20%034%0.344CS..EExtended strand (participates in β ladder)trans-135.3133.8173.3-730000110.3F4 V37 V38 A45 H56 L57F4-T48 PolarHBondContact N-O 3.39Å; F4-T48 PolarHBondContact O-N 3.48Å; V37-T48 HydrophobicContact CG1-CG2 3.97Å; V38-T48 HydrophobicContact CG2-CG2 3.66Å; A45-T48 PolarHBondContact O-OG1 2.96Å; T48-H56 HydrophobicContact CG2-CB 4.26Å; T48-L57 CarbonylContact C-O 3.44Å; T48-L57 VanDerWaalsContact CA-O 3.25Å; T48-L57 WeakPolarHBondContact CA-O 3.49Å
49L95.5Very high87.6Confident1 Ų165.6 Ų65.61%0.00536%0.361CS..EExtended strand (participates in β ladder)trans-107120.2171.5-17968.5000109.8M1 L3 C26 L51 H56 L57 I63 Y66 L67M1-L49 HydrophobicContact CB-CD1 4.23Å; L3-L49 HydrophobicContact CB-CD1 4Å; L3-L49 HydrophobicContact CD1-CB 4.36Å; L3-L49 HydrophobicContact CD1-CD1 4.45Å; C26-L49 VanDerWaalsContact SG-CD1 3.53Å; L49-L51 HydrophobicContact CD2-CD2 3.75Å; L49-L51 HydrophobicContact CG-CD2 3.96Å; L49-H56 WeakPolarHBondContact O-CA 3.33Å; L49-L57 HydrophobicContact CB-CB 4.31Å; L49-L57 HydrophobicContact CD2-CD1 4.36Å; L49-L57 PolarHBondContact N-O 3.15Å; L49-L57 PolarHBondContact O-N 3.01Å; L49-I63 HydrophobicContact CB-CD1 4.29Å; L49-I63 HydrophobicContact CB-CG1 4.02Å; L49-I63 HydrophobicContact CB-CG2 3.83Å; L49-I63 HydrophobicContact CD2-CG2 3.9Å; L49-I63 HydrophobicContact CG-CG2 4.41Å; L49-Y66 HydrophobicContact CD2-CD1 3.65Å; L49-Y66 HydrophobicContact CD2-CE1 3.93Å; L49-L67 HydrophobicContact CD2-CD2 4.47Å
50F94.3Very high88.4Confident71 Ų7161 Ų6131%0.31133%0.331SS..EExtended strand (participates in β ladder)trans-90.9121.4172.2-177-118000110.5M1 E2 F4 H56M1-F50 VanDerWaalsContact CA-O 3.22Å; M1-F50 WeakPolarHBondContact CA-O 3.39Å; E2-F50 HydrophobicContact CB-CB 4.46Å; E2-F50 PolarHBondContact N-O 2.89Å; E2-F50 PolarHBondContact O-N 3.43Å; F4-F50 HydrophobicContact CE2-CB 4Å; F50-H56 AromaticContact CD2-CD2 3.74Å; F50-H56 AromaticContact CD2-CE1 3.62Å; F50-H56 AromaticContact CD2-NE2 3.4Å; F50-H56 WeakPolarHBondContact CD2-NE2 3.27Å; F50-H56 AromaticContact CE2-CE1 3.62Å; F50-H56 AromaticContact CE2-NE2 3.77Å
51L92.6Very high89Confident9 Ų955.2 Ų55.25%0.04731%0.307CS..  trans-92.8153.5-177.2-60.2-177.4000111.4M1 L49 S53 G54 Q55 L57 Y66M1-L51 HydrophobicContact CG-CD2 4.25Å; M1-L51 HydrophobicContact SD-CD2 4.26Å; L49-L51 HydrophobicContact CD2-CD2 3.75Å; L49-L51 HydrophobicContact CG-CD2 3.96Å; L51-S53 PolarHBondContact O-N 3.32Å; L51-S53 VanDerWaalsContact O-N 3.09Å; L51-G54 PolarHBondContact O-N 2.89Å; L51-Q55 HydrophobicContact CB-CB 4.49Å; L51-Q55 HydrophobicContact CD1-CB 4.31Å; L51-Q55 PolarHBondContact N-O 2.94Å; L51-L57 HydrophobicContact CD1-CD1 4.09Å; L51-L57 HydrophobicContact CD1-CD2 4.5Å; L51-L57 HydrophobicContact CD1-CG 4.05Å; L51-L57 HydrophobicContact CD2-CD1 4.45Å; L51-L57 HydrophobicContact CG-CG 4.42Å; L51-Y66 HydrophobicContact CD1-CE2 4.48Å; L51-Y66 HydrophobicContact CD2-CD1 4.2Å; L51-Y66 HydrophobicContact CD2-CE1 3.43Å; L51-Y66 VanDerWaalsContact CD2-CE1 3.43Å; L51-Y66 HydrophobicContact CD2-CE2 4.48Å
52P86.7Confident89.6Confident107 Ų10756.6 Ų56.670%0.69532%0.317SS*.THydrogen-bonded Turntrans-59.5-21.5175.8-22.134.2000113.8M1 G54M1-P52 HydrophobicContact CG-CG 4.13Å; P52-G54 PolarHBondContact O-N 3.35Å
53S88.3Confident90.6Very high80 Ų8050.8 Ų50.856%0.55928%0.279SS*.THydrogen-bonded Turntrans-71.1-4.5174.957.30000114.3L51 Q55L51-S53 PolarHBondContact O-N 3.32Å; L51-S53 VanDerWaalsContact O-N 3.09Å; S53-Q55 VanDerWaalsContact C-N 3.29Å; S53-Q55 PolarHBondContact OG-OE1 3.34Å
54G87.4Confident91.4Very high40 Ų4041.2 Ų41.241%0.41224%0.243SC..SBendtrans83.41.4-172.400000114.1L51 P52L51-G54 PolarHBondContact O-N 2.89Å; P52-G54 PolarHBondContact O-N 3.35Å
55Q90.4Very high91.9Very high123 Ų12342.6 Ų42.658%0.57524%0.241SC*.  trans-84.7153.5178.4-67.5177.7-25.300112.4L51 S53L51-Q55 HydrophobicContact CB-CB 4.49Å; L51-Q55 HydrophobicContact CD1-CB 4.31Å; L51-Q55 PolarHBondContact N-O 2.94Å; S53-Q55 VanDerWaalsContact C-N 3.29Å; S53-Q55 PolarHBondContact OG-OE1 3.34Å
56H91.9Very high92.4Very high42 Ų4244.7 Ų44.719%0.19425%0.245CC..EExtended strand (participates in β ladder)trans-117.9125177.8-59.975.1000109.7V38 F40 T48 L49 F50V38-H56 HydrophobicContact CG1-CB 4.41Å; V38-H56 HydrophobicContact CG2-CB 4.24Å; F40-H56 AromaticContact CE1-ND1 3.96Å; T48-H56 HydrophobicContact CG2-CB 4.26Å; L49-H56 WeakPolarHBondContact O-CA 3.33Å; F50-H56 AromaticContact CD2-CD2 3.74Å; F50-H56 AromaticContact CD2-CE1 3.62Å; F50-H56 AromaticContact CD2-NE2 3.4Å; F50-H56 WeakPolarHBondContact CD2-NE2 3.27Å; F50-H56 AromaticContact CE2-CE1 3.62Å; F50-H56 AromaticContact CE2-NE2 3.77Å
57L93Very high92.6Very high35 Ų3543.7 Ų43.718%0.18324%0.239CC..EExtended strand (participates in β ladder)trans-101.3124.7168.4-57-179000108.5T48 L49 L51 T62 I63 Y66T48-L57 CarbonylContact C-O 3.44Å; T48-L57 VanDerWaalsContact CA-O 3.25Å; T48-L57 WeakPolarHBondContact CA-O 3.49Å; L49-L57 HydrophobicContact CB-CB 4.31Å; L49-L57 HydrophobicContact CD2-CD1 4.36Å; L49-L57 PolarHBondContact N-O 3.15Å; L49-L57 PolarHBondContact O-N 3.01Å; L51-L57 HydrophobicContact CD1-CD1 4.09Å; L51-L57 HydrophobicContact CD1-CD2 4.5Å; L51-L57 HydrophobicContact CD1-CG 4.05Å; L51-L57 HydrophobicContact CD2-CD1 4.45Å; L51-L57 HydrophobicContact CG-CG 4.42Å; L57-T62 HydrophobicContact CD1-CG2 4.46Å; L57-T62 HydrophobicContact CD2-CG2 4.29Å; L57-I63 HydrophobicContact CB-CG1 3.73Å; L57-I63 WeakPolarHBondContact O-CD1 3.36Å; L57-Y66 HydrophobicContact CD1-CD1 4.24Å; L57-Y66 HydrophobicContact CD1-CD2 4.33Å; L57-Y66 HydrophobicContact CD1-CG 3.95Å
58F91.4Very high92.5Very high103 Ų10345.4 Ų45.445%0.45225%0.246SC..  trans-127.810.9-175.348.9-96.2000113.4L41 A45L41-F58 HydrophobicContact CD1-CD1 4.2Å; L41-F58 HydrophobicContact CD1-CD2 4.39Å; L41-F58 HydrophobicContact CD1-CE1 4.45Å; L41-F58 HydrophobicContact CD1-CG 4.17Å; A45-F58 HydrophobicContact CB-CB 4.11Å
59S92.9Very high92.3Very high53 Ų5348.3 Ų48.337%0.37126%0.259SS..  trans-98.3124169.4165.50000109.8N61 T62 I63S59-N61 VanDerWaalsContact C-N 3.28Å; S59-N61 PolarHBondContact O-N 3.32Å; S59-T62 WeakPolarHBondContact CB-OG1 3.46Å; S59-T62 PolarHBondContact O-N 3.08Å; S59-T62 PolarHBondContact OG-N 3.48Å; S59-T62 PolarHBondContact OG-OG1 2.98Å; S59-I63 VanDerWaalsContact O-CG1 3.22Å; S59-I63 WeakPolarHBondContact O-CG1 3.14Å; S59-I63 PolarHBondContact O-N 3.05Å
60S94.3Very high92Very high11 Ų1151.9 Ų51.98%0.07728%0.278CS..Hα-helixtrans-57.2-41.2-177.658.10000112.6H11 I63 C64H11-S60 PolarHBondContact ND1-OG 2.88Å; S60-I63 PolarHBondContact O-N 3.02Å; S60-C64 WeakPolarHBondContact O-CB 3.5Å; S60-C64 PolarHBondContact O-N 2.94Å; S60-C64 PolarHBondContact O-SG 3.14Å
61N94.9Very high91.2Very high15 Ų1553.6 Ų53.68%0.0829%0.29CS..Hα-helixtrans-73.7-35.7-177-64.19.6000110.8S59 C64 R65 L83 E86 V144S59-N61 VanDerWaalsContact C-N 3.28Å; S59-N61 PolarHBondContact O-N 3.32Å; N61-C64 PolarHBondContact O-N 2.97Å; N61-R65 WeakPolarHBondContact O-CB 3.43Å; N61-R65 PolarHBondContact O-N 3.24Å; N61-L83 HydrophobicContact CB-CD2 4.37Å; N61-L83 PolarHBondContact ND2-O 3.35Å; N61-L83 VanDerWaalsContact ND2-O 3.1Å; N61-E86 PolarHBondContact ND2-OE2 2.65Å; N61-E86 PolarHBondContact OD1-OE2 2.93Å; N61-V144 WeakPolarHBondContact OD1-CG1 3.35Å
62T93.7Very high89.9Confident69 Ų6955 Ų5542%0.42331%0.306SS..Hα-helixtrans-65.5-43.5174.1-54.20000111.2L57 S59 R65 Y66L57-T62 HydrophobicContact CD1-CG2 4.46Å; L57-T62 HydrophobicContact CD2-CG2 4.29Å; S59-T62 WeakPolarHBondContact CB-OG1 3.46Å; S59-T62 PolarHBondContact O-N 3.08Å; S59-T62 PolarHBondContact OG-N 3.48Å; S59-T62 PolarHBondContact OG-OG1 2.98Å; T62-R65 PolarHBondContact O-N 3.42Å; T62-Y66 WeakPolarHBondContact O-CB 3.23Å; T62-Y66 PolarHBondContact O-N 3.22Å
63I95.2Very high88.6Confident0 Ų056 Ų560%031%0.313CS..Hα-helixtrans-63.8-46.2177.1-59.8161.2000110.2L3 V15 P47 L49 L57 S59 S60 R65 Y66 L67L3-I63 HydrophobicContact CD1-CG2 4.5Å; V15-I63 HydrophobicContact CB-CG2 4.49Å; V15-I63 HydrophobicContact CG1-CB 4.12Å; V15-I63 HydrophobicContact CG1-CG2 3.38Å; V15-I63 HydrophobicContact CG2-CB 4.11Å; V15-I63 HydrophobicContact CG2-CD1 4.26Å; V15-I63 HydrophobicContact CG2-CG2 4.29Å; P47-I63 HydrophobicContact CB-CD1 4.32Å; P47-I63 HydrophobicContact CG-CD1 4.37Å; L49-I63 HydrophobicContact CB-CD1 4.29Å; L49-I63 HydrophobicContact CB-CG1 4.02Å; L49-I63 HydrophobicContact CB-CG2 3.83Å; L49-I63 HydrophobicContact CD2-CG2 3.9Å; L49-I63 HydrophobicContact CG-CG2 4.41Å; L57-I63 HydrophobicContact CB-CG1 3.73Å; L57-I63 WeakPolarHBondContact O-CD1 3.36Å; S59-I63 VanDerWaalsContact O-CG1 3.22Å; S59-I63 WeakPolarHBondContact O-CG1 3.14Å; S59-I63 PolarHBondContact O-N 3.05Å; S60-I63 PolarHBondContact O-N 3.02Å; I63-R65 VanDerWaalsContact C-N 3.34Å; I63-R65 PolarHBondContact O-N 3.06Å; I63-Y66 PolarHBondContact O-N 3.36Å; I63-L67 HydrophobicContact CG2-CD1 3.99Å; I63-L67 HydrophobicContact CG2-CG 4.36Å; I63-L67 VanDerWaalsContact O-CG 3.29Å; I63-L67 WeakPolarHBondContact O-CG 3.25Å; I63-L67 PolarHBondContact O-N 3.23Å
64C94.8Very high87.4Confident0 Ų060.1 Ų60.10%032%0.324CS..Hα-helixtrans-58.4-45.8177.2-69.90000111.8A18 S60 N61 L67 F68 V140 V144A18-C64 HydrophobicContact CB-CB 3.9Å; S60-C64 WeakPolarHBondContact O-CB 3.5Å; S60-C64 PolarHBondContact O-N 2.94Å; S60-C64 PolarHBondContact O-SG 3.14Å; N61-C64 PolarHBondContact O-N 2.97Å; C64-L67 PolarHBondContact O-N 2.88Å; C64-F68 WeakPolarHBondContact O-CD2 3.39Å; C64-F68 PolarHBondContact O-N 3.38Å; C64-F68 VanDerWaalsContact O-N 3.14Å; C64-V140 HydrophobicContact CB-CG2 3.83Å; C64-V144 HydrophobicContact CB-CG2 3.66Å
65R93.5Very high86.6Confident87 Ų8759.2 Ų59.233%0.32831%0.311SS..Hα-helixtrans-60.2-49.7177.3179175.3159.9177-8.2111.6N61 T62 I63 L67 F68 E69 N80 L83N61-R65 WeakPolarHBondContact O-CB 3.43Å; N61-R65 PolarHBondContact O-N 3.24Å; T62-R65 PolarHBondContact O-N 3.42Å; I63-R65 VanDerWaalsContact C-N 3.34Å; I63-R65 PolarHBondContact O-N 3.06Å; R65-L67 VanDerWaalsContact C-N 3.3Å; R65-L67 PolarHBondContact O-N 2.71Å; R65-F68 PolarHBondContact O-N 3.12Å; R65-F68 VanDerWaalsContact O-N 3.1Å; R65-E69 HydrophobicContact CG-CG 4.35Å; R65-E69 WeakPolarHBondContact CG-OE1 3.34Å; R65-E69 IonicContact CZ-OE1 2.99Å; R65-E69 IonicContact NE-OE1 2.76Å; R65-E69 PolarHBondContact NE-OE1 2.84Å; R65-E69 IonicContact NH2-OE1 3.77Å; R65-E69 PolarHBondContact NH2-OE1 3.31Å; R65-E69 WeakPolarHBondContact O-CG 3.29Å; R65-E69 PolarHBondContact O-N 3.06Å; R65-N80 PolarHBondContact NH1-OD1 3.34Å; R65-L83 HydrophobicContact CB-CD1 4.39Å
66Y93.2Very high86.1Confident66 Ų6655.9 Ų55.926%0.25930%0.302SS..Hα-helixtrans-56.6-42.7177.7180-97.5000112.3M1 L49 L51 L57 T62 I63 F68 E69 L70M1-Y66 HydrophobicContact SD-CE1 3.75Å; L49-Y66 HydrophobicContact CD2-CD1 3.65Å; L49-Y66 HydrophobicContact CD2-CE1 3.93Å; L51-Y66 HydrophobicContact CD1-CE2 4.48Å; L51-Y66 HydrophobicContact CD2-CD1 4.2Å; L51-Y66 HydrophobicContact CD2-CE1 3.43Å; L51-Y66 VanDerWaalsContact CD2-CE1 3.43Å; L51-Y66 HydrophobicContact CD2-CE2 4.48Å; L57-Y66 HydrophobicContact CD1-CD1 4.24Å; L57-Y66 HydrophobicContact CD1-CD2 4.33Å; L57-Y66 HydrophobicContact CD1-CG 3.95Å; T62-Y66 WeakPolarHBondContact O-CB 3.23Å; T62-Y66 PolarHBondContact O-N 3.22Å; I63-Y66 PolarHBondContact O-N 3.36Å; Y66-F68 VanDerWaalsContact C-N 3.35Å; Y66-F68 PolarHBondContact O-N 3.08Å; Y66-E69 PolarHBondContact O-N 3.34Å; Y66-L70 HydrophobicContact CD1-CD1 4.07Å; Y66-L70 HydrophobicContact CE1-CD1 3.56Å; Y66-L70 HydrophobicContact CE1-CG 4.15Å; Y66-L70 WeakPolarHBondContact O-CG 3.3Å; Y66-L70 PolarHBondContact O-N 3.46Å; Y66-L70 VanDerWaalsContact O-N 3.14Å
67L92.9Very high85.6Confident1 Ų160.1 Ų60.11%0.00533%0.326CS..Hα-helixtrans-64.9-35.7177.8-69.3171000113.1V15 A18 L19 T22 V24 L49 I63 C64 R65V15-L67 HydrophobicContact CG1-CD1 4.26Å; A18-L67 HydrophobicContact CB-CD1 4.27Å; L19-L67 HydrophobicContact CB-CD1 3.92Å; L19-L67 HydrophobicContact CD1-CD1 4.35Å; L19-L67 HydrophobicContact CD1-CD2 3.86Å; T22-L67 WeakPolarHBondContact CG2-O 3.31Å; V24-L67 HydrophobicContact CB-CD2 4.26Å; V24-L67 HydrophobicContact CG1-CD2 4.08Å; V24-L67 WeakPolarHBondContact CG2-O 3.49Å; L49-L67 HydrophobicContact CD2-CD2 4.47Å; I63-L67 HydrophobicContact CG2-CD1 3.99Å; I63-L67 HydrophobicContact CG2-CG 4.36Å; I63-L67 VanDerWaalsContact O-CG 3.29Å; I63-L67 WeakPolarHBondContact O-CG 3.25Å; I63-L67 PolarHBondContact O-N 3.23Å; C64-L67 PolarHBondContact O-N 2.88Å; R65-L67 VanDerWaalsContact C-N 3.3Å; R65-L67 PolarHBondContact O-N 2.71Å
68F91.4Very high85.2Confident41 Ų4163 Ų6318%0.1834%0.338CS..Hα-helixtrans-73.2-38.8175.8-91.7-99.2000112.3A18 V21 T22 C64 R65 Y66 L70 N71 G72 V140 V143A18-F68 HydrophobicContact CB-CD2 4.3Å; A18-F68 HydrophobicContact CB-CE2 3.97Å; V21-F68 HydrophobicContact CG1-CE1 4.46Å; V21-F68 HydrophobicContact CG1-CZ 3.88Å; T22-F68 HydrophobicContact CG2-CB 4.31Å; T22-F68 HydrophobicContact CG2-CD1 4.04Å; T22-F68 HydrophobicContact CG2-CD2 3.51Å; T22-F68 HydrophobicContact CG2-CE1 4.25Å; T22-F68 HydrophobicContact CG2-CE2 3.76Å; T22-F68 HydrophobicContact CG2-CG 3.68Å; T22-F68 HydrophobicContact CG2-CZ 4.13Å; C64-F68 WeakPolarHBondContact O-CD2 3.39Å; C64-F68 PolarHBondContact O-N 3.38Å; C64-F68 VanDerWaalsContact O-N 3.14Å; R65-F68 PolarHBondContact O-N 3.12Å; R65-F68 VanDerWaalsContact O-N 3.1Å; Y66-F68 VanDerWaalsContact C-N 3.35Å; Y66-F68 PolarHBondContact O-N 3.08Å; F68-L70 VanDerWaalsContact C-N 3.25Å; F68-L70 PolarHBondContact O-N 3.41Å; F68-N71 PolarHBondContact O-N 2.89Å; F68-N71 VanDerWaalsContact O-N 3.12Å; F68-G72 PolarHBondContact O-N 3.46Å; F68-V140 HydrophobicContact CB-CB 4.23Å; F68-V140 HydrophobicContact CD1-CB 4.23Å; F68-V140 HydrophobicContact CD2-CB 3.77Å; F68-V140 HydrophobicContact CD2-CG2 3.82Å; F68-V140 HydrophobicContact CE2-CB 4.11Å; F68-V140 HydrophobicContact CE2-CG2 4.25Å; F68-V140 HydrophobicContact CG-CB 3.82Å; F68-V140 HydrophobicContact CG-CG2 4.28Å; F68-V140 HydrophobicContact CZ-CB 4.49Å; F68-V143 HydrophobicContact CE2-CB 4.41Å; F68-V143 HydrophobicContact CE2-CG2 4.2Å; F68-V143 HydrophobicContact CZ-CB 4.46Å; F68-V143 HydrophobicContact CZ-CG2 3.82Å
69E90.4Very high85Confident61 Ų6158.4 Ų58.429%0.28532%0.319SS..Hα-helixtrans-64.5-28.3176.9-73.2173.9170.100112.6R65 Y66 N71 G72R65-E69 HydrophobicContact CG-CG 4.35Å; R65-E69 WeakPolarHBondContact CG-OE1 3.34Å; R65-E69 IonicContact CZ-OE1 2.99Å; R65-E69 IonicContact NE-OE1 2.76Å; R65-E69 PolarHBondContact NE-OE1 2.84Å; R65-E69 IonicContact NH2-OE1 3.77Å; R65-E69 PolarHBondContact NH2-OE1 3.31Å; R65-E69 WeakPolarHBondContact O-CG 3.29Å; R65-E69 PolarHBondContact O-N 3.06Å; Y66-E69 PolarHBondContact O-N 3.34Å; E69-N71 PolarHBondContact O-N 3.08Å; E69-G72 VanDerWaalsContact O-O 3.06Å
70L87.8Confident84.8Confident76 Ų7657.9 Ų57.940%0.39831%0.312SS..THydrogen-bonded Turntrans-66.6-16.6174.3-73.7176.3000114.1M1 V24 Y66 F68M1-L70 HydrophobicContact CE-CD1 3.8Å; M1-L70 HydrophobicContact SD-CD1 3.85Å; V24-L70 HydrophobicContact CG1-CD1 3.9Å; V24-L70 HydrophobicContact CG2-CB 4.01Å; V24-L70 HydrophobicContact CG2-CD1 4.42Å; Y66-L70 HydrophobicContact CD1-CD1 4.07Å; Y66-L70 HydrophobicContact CE1-CD1 3.56Å; Y66-L70 HydrophobicContact CE1-CG 4.15Å; Y66-L70 WeakPolarHBondContact O-CG 3.3Å; Y66-L70 PolarHBondContact O-N 3.46Å; Y66-L70 VanDerWaalsContact O-N 3.14Å; F68-L70 VanDerWaalsContact C-N 3.25Å; F68-L70 PolarHBondContact O-N 3.41Å
71N77.6Confident84.6Confident106 Ų10663.4 Ų63.457%0.56734%0.336SS*.THydrogen-bonded Turntrans-123.27.9-175.9-100.9-22.3000114.6T22 F68 E69T22-N71 PolarHBondContact O-ND2 2.82Å; F68-N71 PolarHBondContact O-N 2.89Å; F68-N71 VanDerWaalsContact O-N 3.12Å; E69-N71 PolarHBondContact O-N 3.08Å
72G65.9Low84.5Confident38 Ų3863.7 Ų63.739%0.39234%0.336SS..SBendtrans-172.9-177.2-178.600000113.6F68 E69F68-G72 PolarHBondContact O-N 3.46Å; E69-G72 VanDerWaalsContact O-O 3.06Å
73P60.6Low84.5Confident129 Ų12961.1 Ų61.184%0.83832%0.32SS*.SBendtrans-66.3160.3177.427.5-32.8000112.5
74E63Low84.4Confident166 Ų16667.3 Ų67.378%0.77635%0.349SS*.PPolyproline II helixtrans-50.2148.3-178.5-69.9-175.3163.500113.6S76E74-S76 PolarHBondContact O-N 3.11Å
75S70Confident84.4Confident21 Ų2169 Ų6915%0.14736%0.355CS..PPolyproline II helixtrans-57.3127.5178.2-164.50000111.4C79 N80S75-C79 WeakPolarHBondContact OG-CB 3.32Å; S75-N80 PolarHBondContact O-ND2 3.12Å
76S80.3Confident84.5Confident54 Ų5465 Ų6538%0.37834%0.34SS..PPolyproline II helixtrans-63.6156.5177.566.10000112.1E74 Q78 C79 N80E74-S76 PolarHBondContact O-N 3.11Å; S76-Q78 PolarHBondContact O-N 2.92Å; S76-Q78 VanDerWaalsContact O-N 3.16Å; S76-C79 WeakPolarHBondContact O-CA 3.47Å; S76-C79 WeakPolarHBondContact O-CB 3.28Å; S76-C79 PolarHBondContact O-N 3.01Å; S76-C79 PolarHBondContact OG-N 2.87Å; S76-C79 PolarHBondContact OG-SG 2.8Å; S76-N80 PolarHBondContact O-N 2.87Å; S76-N80 PolarHBondContact O-ND2 3.23Å
77D80.8Confident84.4Confident131 Ų13163.8 Ų63.870%0.70134%0.344SS*.Hα-helixtrans-54.3-36.8175.5-66-26.8000112N80 Q81D77-N80 PolarHBondContact O-N 3.01Å; D77-Q81 WeakPolarHBondContact O-CG 3.3Å; D77-Q81 PolarHBondContact O-N 3.48Å
78Q84.6Confident84.2Confident94 Ų9467.6 Ų67.644%0.43937%0.367SS..Hα-helixtrans-65.9-39175.9-165.3178.913.700112.5S76 Q81 W82 T134S76-Q78 PolarHBondContact O-N 2.92Å; S76-Q78 VanDerWaalsContact O-N 3.16Å; Q78-Q81 PolarHBondContact O-N 3.45Å; Q78-W82 PolarHBondContact O-N 3.48Å; Q78-T134 HydrophobicContact CB-CG2 4.3Å; Q78-T134 HydrophobicContact CG-CG2 4.05Å
79C88Confident84.2Confident7 Ų768.2 Ų68.25%0.04737%0.372CS..Hα-helixtrans-62.9-44.1172.3-78.80000110.9S75 S76 Q81 W82 L83 T134 V140S75-C79 WeakPolarHBondContact OG-CB 3.32Å; S76-C79 WeakPolarHBondContact O-CA 3.47Å; S76-C79 WeakPolarHBondContact O-CB 3.28Å; S76-C79 PolarHBondContact O-N 3.01Å; S76-C79 PolarHBondContact OG-N 2.87Å; S76-C79 PolarHBondContact OG-SG 2.8Å; C79-Q81 VanDerWaalsContact C-N 3.35Å; C79-Q81 PolarHBondContact O-N 2.78Å; C79-W82 PolarHBondContact O-N 2.87Å; C79-L83 WeakPolarHBondContact O-CG 3.26Å; C79-L83 PolarHBondContact O-N 3.47Å; C79-T134 VanDerWaalsContact SG-CG2 3.59Å; C79-V140 HydrophobicContact CB-CG1 4.07Å
80N87.6Confident84.4Confident42 Ų4265.4 Ų65.423%0.22536%0.359CS..Hα-helixtrans-62.8-41179.4-70.2-45.2000111.8R65 S75 S76 D77 W82 L83 E84R65-N80 PolarHBondContact NH1-OD1 3.34Å; S75-N80 PolarHBondContact O-ND2 3.12Å; S76-N80 PolarHBondContact O-N 2.87Å; S76-N80 PolarHBondContact O-ND2 3.23Å; D77-N80 PolarHBondContact O-N 3.01Å; N80-W82 VanDerWaalsContact C-N 3.32Å; N80-W82 PolarHBondContact O-N 3.32Å; N80-L83 PolarHBondContact O-N 3.27Å; N80-E84 WeakPolarHBondContact O-CB 3.25Å; N80-E84 PolarHBondContact O-N 2.7Å
81Q89.8Confident84.6Confident127 Ų12764.9 Ų64.959%0.59335%0.354SS*.Hα-helixtrans-58.2-42.3173.7-73.9171.64.500112.1D77 Q78 C79 E84 W85D77-Q81 WeakPolarHBondContact O-CG 3.3Å; D77-Q81 PolarHBondContact O-N 3.48Å; Q78-Q81 PolarHBondContact O-N 3.45Å; C79-Q81 VanDerWaalsContact C-N 3.35Å; C79-Q81 PolarHBondContact O-N 2.78Å; Q81-E84 PolarHBondContact O-N 2.95Å; Q81-W85 VanDerWaalsContact O-CB 3.25Å; Q81-W85 WeakPolarHBondContact O-CB 3.08Å; Q81-W85 PolarHBondContact O-N 3.29Å
82W93.9Very high85.2Confident22 Ų2263.3 Ų63.38%0.08335%0.35CS..Hα-helixtrans-68.7-38.6176.3-80.3118.2000113.3Q78 C79 N80 E84 W85 E86 L121 S124 L133 A141 L145Q78-W82 PolarHBondContact O-N 3.48Å; C79-W82 PolarHBondContact O-N 2.87Å; N80-W82 VanDerWaalsContact C-N 3.32Å; N80-W82 PolarHBondContact O-N 3.32Å; W82-E84 VanDerWaalsContact C-N 3.32Å; W82-W85 HydrophobicContact CE3-CD2 4.11Å; W82-W85 AromaticContact CE3-CE3 3.69Å; W82-W85 HydrophobicContact CE3-CE3 3.69Å; W82-W85 HydrophobicContact CE3-CG 4.46Å; W82-W85 HydrophobicContact CE3-CZ3 4.24Å; W82-W85 AromaticContact CZ3-CD2 3.92Å; W82-W85 HydrophobicContact CZ3-CD2 3.92Å; W82-W85 AromaticContact CZ3-CE3 3.65Å; W82-W85 HydrophobicContact CZ3-CE3 3.65Å; W82-W85 HydrophobicContact CZ3-CG 4.5Å; W82-W85 HydrophobicContact CZ3-CH2 4.39Å; W82-W85 AromaticContact CZ3-CZ3 3.89Å; W82-W85 HydrophobicContact CZ3-CZ3 3.89Å; W82-E86 VanDerWaalsContact O-CB 3.3Å; W82-E86 WeakPolarHBondContact O-CB 3.5Å; W82-E86 PolarHBondContact O-N 3.07Å; W82-L121 HydrophobicContact CH2-CD1 3.82Å; W82-L121 HydrophobicContact CZ3-CD1 3.88Å; W82-S124 WeakPolarHBondContact CH2-OG 3.26Å; W82-S124 VanDerWaalsContact CZ2-CB 3.49Å; W82-L133 HydrophobicContact CH2-CD2 4.4Å; W82-L133 HydrophobicContact CZ2-CD2 3.86Å; W82-A141 HydrophobicContact CB-CB 3.66Å; W82-A141 HydrophobicContact CG-CB 4.22Å; W82-L145 HydrophobicContact CB-CD1 4.3Å; W82-L145 HydrophobicContact CD2-CD2 4.31Å; W82-L145 HydrophobicContact CE3-CD2 3.64Å; W82-L145 HydrophobicContact CZ3-CD2 4.03Å
83L93.9Very high86.4Confident14 Ų1462.2 Ų62.27%0.07334%0.337CS..Hα-helixtrans-66-36.3175.9-66.9179.4000112N61 R65 C79 N80 A87 V140 V144N61-L83 HydrophobicContact CB-CD2 4.37Å; N61-L83 PolarHBondContact ND2-O 3.35Å; N61-L83 VanDerWaalsContact ND2-O 3.1Å; R65-L83 HydrophobicContact CB-CD1 4.39Å; C79-L83 WeakPolarHBondContact O-CG 3.26Å; C79-L83 PolarHBondContact O-N 3.47Å; N80-L83 PolarHBondContact O-N 3.27Å; L83-A87 PolarHBondContact O-N 2.89Å; L83-V140 HydrophobicContact CD1-CG1 4.16Å; L83-V140 HydrophobicContact CD1-CG2 4.47Å; L83-V140 HydrophobicContact CD2-CG2 4.45Å; L83-V144 HydrophobicContact CD2-CB 3.71Å; L83-V144 HydrophobicContact CD2-CG1 3.74Å; L83-V144 HydrophobicContact CD2-CG2 3.64Å
84E91.8Very high87.8Confident130 Ų13056.5 Ų56.561%0.60730%0.3SS*.Hα-helixtrans-70.8-47.4174.4-176.5174.5-171.400111.5N80 Q81 W82 E86 A87 T88N80-E84 WeakPolarHBondContact O-CB 3.25Å; N80-E84 PolarHBondContact O-N 2.7Å; Q81-E84 PolarHBondContact O-N 2.95Å; W82-E84 VanDerWaalsContact C-N 3.32Å; E84-E86 VanDerWaalsContact C-N 3.26Å; E84-E86 PolarHBondContact O-N 3.32Å; E84-A87 PolarHBondContact O-N 2.96Å; E84-T88 HydrophobicContact CG-CG2 4.31Å; E84-T88 WeakPolarHBondContact O-CB 3.14Å; E84-T88 WeakPolarHBondContact O-CG2 3.48Å; E84-T88 PolarHBondContact O-N 3.39Å; E84-T88 PolarHBondContact O-OG1 3.29Å
85W95.1Very high89.2Confident37 Ų3751.2 Ų51.214%0.1428%0.276CS..Hα-helixtrans-58.3-39.4174.9179.787000111.7Q81 W82 T88 I89 L90 P117 V120 L145Q81-W85 VanDerWaalsContact O-CB 3.25Å; Q81-W85 WeakPolarHBondContact O-CB 3.08Å; Q81-W85 PolarHBondContact O-N 3.29Å; W82-W85 HydrophobicContact CE3-CD2 4.11Å; W82-W85 AromaticContact CE3-CE3 3.69Å; W82-W85 HydrophobicContact CE3-CE3 3.69Å; W82-W85 HydrophobicContact CE3-CG 4.46Å; W82-W85 HydrophobicContact CE3-CZ3 4.24Å; W82-W85 AromaticContact CZ3-CD2 3.92Å; W82-W85 HydrophobicContact CZ3-CD2 3.92Å; W82-W85 AromaticContact CZ3-CE3 3.65Å; W82-W85 HydrophobicContact CZ3-CE3 3.65Å; W82-W85 HydrophobicContact CZ3-CG 4.5Å; W82-W85 HydrophobicContact CZ3-CH2 4.39Å; W82-W85 AromaticContact CZ3-CZ3 3.89Å; W82-W85 HydrophobicContact CZ3-CZ3 3.89Å; W85-T88 PolarHBondContact O-N 3.42Å; W85-I89 HydrophobicContact CD2-CB 4.39Å; W85-I89 HydrophobicContact CG-CB 4.35Å; W85-I89 HydrophobicContact CG-CG1 4.32Å; W85-I89 HydrophobicContact CZ2-CG2 4.25Å; W85-I89 WeakPolarHBondContact O-CA 3.3Å; W85-I89 VanDerWaalsContact O-CB 3.31Å; W85-I89 WeakPolarHBondContact O-CB 3.42Å; W85-I89 PolarHBondContact O-N 2.95Å; W85-L90 HydrophobicContact CE3-CB 4.2Å; W85-L90 HydrophobicContact CH2-CB 4.09Å; W85-L90 HydrophobicContact CH2-CD2 4.41Å; W85-L90 HydrophobicContact CZ3-CB 3.77Å; W85-L90 HydrophobicContact CZ3-CD2 3.86Å; W85-L90 HydrophobicContact CZ3-CG 4.29Å; W85-L90 PolarHBondContact O-N 3.25Å; W85-P117 HydrophobicContact CH2-CB 4Å; W85-P117 WeakPolarHBondContact CH2-O 3.25Å; W85-P117 HydrophobicContact CZ2-CB 4.04Å; W85-V120 HydrophobicContact CZ2-CB 3.99Å; W85-V120 HydrophobicContact CZ2-CG1 3.95Å; W85-L145 HydrophobicContact CE3-CD2 4.24Å; W85-L145 HydrophobicContact CZ3-CD2 3.92Å; W85-L145 HydrophobicContact CZ3-CG 4.48Å
86E94.9Very high90.1Very high1 Ų155 Ų551%0.00529%0.287CS..Iπ-helixtrans-62.6-47.2176.2-168.4-83.3144.100111.6K14 N61 W82 E84 T88 L90 Q91 V144 L145 A148K14-E86 IonicContact NZ-OE1 3.39Å; K14-E86 PolarHBondContact NZ-OE1 3.46Å; K14-E86 IonicContact NZ-OE2 3.4Å; K14-E86 PolarHBondContact NZ-OE2 2.84Å; N61-E86 PolarHBondContact ND2-OE2 2.65Å; N61-E86 PolarHBondContact OD1-OE2 2.93Å; W82-E86 VanDerWaalsContact O-CB 3.3Å; W82-E86 WeakPolarHBondContact O-CB 3.5Å; W82-E86 PolarHBondContact O-N 3.07Å; E84-E86 VanDerWaalsContact C-N 3.26Å; E84-E86 PolarHBondContact O-N 3.32Å; E86-T88 PolarHBondContact O-N 2.76Å; E86-L90 HydrophobicContact CG-CB 4.35Å; E86-L90 HydrophobicContact CG-CD2 4.13Å; E86-L90 PolarHBondContact O-N 2.94Å; E86-Q91 VanDerWaalsContact O-CB 3.26Å; E86-Q91 WeakPolarHBondContact O-CB 3.41Å; E86-Q91 PolarHBondContact O-N 3.35Å; E86-V144 HydrophobicContact CB-CG1 4.45Å; E86-V144 HydrophobicContact CG-CG1 4.02Å; E86-L145 HydrophobicContact CB-CD1 3.84Å; E86-L145 HydrophobicContact CB-CG 4.46Å; E86-L145 HydrophobicContact CG-CD1 4.07Å; E86-L145 HydrophobicContact CG-CG 4.35Å; E86-A148 HydrophobicContact CG-CB 4.41Å
87A91.6Very high90.5Very high42 Ų4252.4 Ų52.435%0.34727%0.269SS..Iπ-helixtrans-67.9-34.7-17900000113L83 E84L83-A87 PolarHBondContact O-N 2.89Å; E84-A87 PolarHBondContact O-N 2.96Å
88T89.3Confident90.9Very high80 Ų8046.4 Ų46.449%0.49124%0.237SC..Iπ-helixtrans-95.5-32.2-171.855.30000113.9E84 W85 E86E84-T88 HydrophobicContact CG-CG2 4.31Å; E84-T88 WeakPolarHBondContact O-CB 3.14Å; E84-T88 WeakPolarHBondContact O-CG2 3.48Å; E84-T88 PolarHBondContact O-N 3.39Å; E84-T88 PolarHBondContact O-OG1 3.29Å; W85-T88 PolarHBondContact O-N 3.42Å; E86-T88 PolarHBondContact O-N 2.76Å
89I91.8Very high91Very high55 Ų5542.2 Ų42.228%0.28222%0.218SC..Iπ-helixtrans-113.7-54.7-173.7-53.9-59000111.4W85 P92 P117W85-I89 HydrophobicContact CD2-CB 4.39Å; W85-I89 HydrophobicContact CG-CB 4.35Å; W85-I89 HydrophobicContact CG-CG1 4.32Å; W85-I89 HydrophobicContact CZ2-CG2 4.25Å; W85-I89 WeakPolarHBondContact O-CA 3.3Å; W85-I89 VanDerWaalsContact O-CB 3.31Å; W85-I89 WeakPolarHBondContact O-CB 3.42Å; W85-I89 PolarHBondContact O-N 2.95Å; I89-P92 WeakPolarHBondContact O-CD 3.3Å; I89-P117 HydrophobicContact CG2-CG 4.44Å
90L93.3Very high91Very high1 Ų142.6 Ų42.61%0.00522%0.219CC..Iπ-helixtrans-74.6-42.9-171.8-178.959.2000112.4W85 E86 A93 L94 P117 L145 A148 L149W85-L90 HydrophobicContact CE3-CB 4.2Å; W85-L90 HydrophobicContact CH2-CB 4.09Å; W85-L90 HydrophobicContact CH2-CD2 4.41Å; W85-L90 HydrophobicContact CZ3-CB 3.77Å; W85-L90 HydrophobicContact CZ3-CD2 3.86Å; W85-L90 HydrophobicContact CZ3-CG 4.29Å; W85-L90 PolarHBondContact O-N 3.25Å; E86-L90 HydrophobicContact CG-CB 4.35Å; E86-L90 HydrophobicContact CG-CD2 4.13Å; E86-L90 PolarHBondContact O-N 2.94Å; L90-A93 PolarHBondContact O-N 2.91Å; L90-L94 HydrophobicContact CD1-CD1 3.98Å; L90-L94 HydrophobicContact CD1-CG 3.9Å; L90-L94 HydrophobicContact CD2-CD1 4.11Å; L90-L94 HydrophobicContact CG-CD1 3.63Å; L90-L94 HydrophobicContact CG-CG 4.06Å; L90-L94 WeakPolarHBondContact O-CB 3.31Å; L90-L94 WeakPolarHBondContact O-CG 3.45Å; L90-L94 PolarHBondContact O-N 3.33Å; L90-P117 HydrophobicContact CD1-CB 3.76Å; L90-P117 HydrophobicContact CD1-CG 4.49Å; L90-L145 HydrophobicContact CD2-CG 4.38Å; L90-A148 HydrophobicContact CD2-CB 4.3Å; L90-L149 HydrophobicContact CD1-CD2 3.91Å; L90-L149 HydrophobicContact CD2-CD1 4.35Å; L90-L149 HydrophobicContact CD2-CD2 4.14Å; L90-L149 HydrophobicContact CD2-CG 4.03Å
91Q92.6Very high90.9Very high66 Ų6641.6 Ų41.631%0.30822%0.217SC..Hα-helixtrans-61.5-44.1-176.5-177-176.7-7.700113.1H11 E86 A93 L94 L95H11-Q91 PolarHBondContact CE1-NE2 3.48Å; H11-Q91 PolarHBondContact NE2-NE2 2.89Å; E86-Q91 VanDerWaalsContact O-CB 3.26Å; E86-Q91 WeakPolarHBondContact O-CB 3.41Å; E86-Q91 PolarHBondContact O-N 3.35Å; Q91-A93 PolarHBondContact O-N 3.42Å; Q91-L94 PolarHBondContact O-N 3.33Å; Q91-L95 WeakPolarHBondContact O-CB 2.98Å; Q91-L95 PolarHBondContact O-N 3.44Å
92P90.4Very high90.8Very high72 Ų7236.6 Ų36.647%0.46820%0.195SC..Hα-helixtrans-60.8-42.1173.1-25.335.2000113.4I89 L95 R96I89-P92 WeakPolarHBondContact O-CD 3.3Å; P92-L95 PolarHBondContact O-N 3.06Å; P92-R96 PolarHBondContact O-N 3.35Å; P92-R96 VanDerWaalsContact O-N 3.17Å
93A91.2Very high90.4Very high16 Ų1638.8 Ų38.813%0.13221%0.208CC..Hα-helixtrans-65.3-41.8177.900000111.6L90 Q91 R96 A97 V113 L114 P117L90-A93 PolarHBondContact O-N 2.91Å; Q91-A93 PolarHBondContact O-N 3.42Å; A93-R96 PolarHBondContact O-N 3.08Å; A93-A97 WeakPolarHBondContact O-CB 3.26Å; A93-A97 PolarHBondContact O-N 3.22Å; A93-V113 WeakPolarHBondContact O-CG1 3.3Å; A93-L114 HydrophobicContact CB-CD2 4.06Å; A93-P117 HydrophobicContact CB-CG 3.86Å
94L90.9Very high90Very high9 Ų943.5 Ų43.55%0.04723%0.229CC..Hα-helixtrans-64.5-40.9175.3-81.3173.4000112.6L90 Q91 R96 A97 L98 L114 A148 L149 V152L90-L94 HydrophobicContact CD1-CD1 3.98Å; L90-L94 HydrophobicContact CD1-CG 3.9Å; L90-L94 HydrophobicContact CD2-CD1 4.11Å; L90-L94 HydrophobicContact CG-CD1 3.63Å; L90-L94 HydrophobicContact CG-CG 4.06Å; L90-L94 WeakPolarHBondContact O-CB 3.31Å; L90-L94 WeakPolarHBondContact O-CG 3.45Å; L90-L94 PolarHBondContact O-N 3.33Å; Q91-L94 PolarHBondContact O-N 3.33Å; L94-R96 VanDerWaalsContact C-N 3.3Å; L94-R96 PolarHBondContact O-N 3.34Å; L94-A97 PolarHBondContact O-N 2.88Å; L94-L98 WeakPolarHBondContact O-CB 3.47Å; L94-L98 VanDerWaalsContact O-CG 3.29Å; L94-L98 WeakPolarHBondContact O-CG 3.24Å; L94-L98 PolarHBondContact O-N 2.7Å; L94-L114 HydrophobicContact CD2-CD1 4.22Å; L94-L114 HydrophobicContact CD2-CD2 4.04Å; L94-L114 HydrophobicContact CG-CD2 4.31Å; L94-A148 HydrophobicContact CD1-CB 3.46Å; L94-A148 VanDerWaalsContact CD1-CB 3.46Å; L94-A148 WeakPolarHBondContact CD1-O 3.11Å; L94-L149 HydrophobicContact CD2-CD2 4.24Å; L94-V152 HydrophobicContact CD2-CG2 3.97Å
95L90.6Very high89.4Confident54 Ų5440.5 Ų40.528%0.28323%0.234SC..Hα-helixtrans-60.8-42.8176.6-174.463.6000110.8Q91 P92 H99 M199 Q202Q91-L95 WeakPolarHBondContact O-CB 2.98Å; Q91-L95 PolarHBondContact O-N 3.44Å; P92-L95 PolarHBondContact O-N 3.06Å; L95-H99 PolarHBondContact O-N 2.64Å; L95-H99 PolarHBondContact O-ND1 3.37Å; L95-M199 HydrophobicContact CD1-CE 3.97Å; L95-M199 HydrophobicContact CD1-SD 4.33Å; L95-Q202 HydrophobicContact CD1-CB 4.36Å; L95-Q202 HydrophobicContact CD1-CG 4.37Å
96R88.9Confident88.8Confident100 Ų10043.1 Ų43.138%0.37725%0.246SC..Hα-helixtrans-64-45.9174.4-177.1177.3177.3170.41.8111.7P92 A93 L94 L98 H99 L100 V113P92-R96 PolarHBondContact O-N 3.35Å; P92-R96 VanDerWaalsContact O-N 3.17Å; A93-R96 PolarHBondContact O-N 3.08Å; L94-R96 VanDerWaalsContact C-N 3.3Å; L94-R96 PolarHBondContact O-N 3.34Å; R96-L98 PolarHBondContact O-N 3.44Å; R96-H99 PolarHBondContact O-N 2.93Å; R96-L100 HydrophobicContact CG-CD1 4.47Å; R96-L100 WeakPolarHBondContact O-CG 3.43Å; R96-L100 PolarHBondContact O-N 3Å; R96-V113 HydrophobicContact CB-CG1 4.07Å; R96-V113 HydrophobicContact CG-CG1 4.01Å; R96-V113 HydrophobicContact CG-CG2 4.43Å
97A89.2Confident87.9Confident0 Ų044.8 Ų44.80%026%0.264CS..Hα-helixtrans-60.6-43.7178.100000112.4A93 L94 L100 A101 V110 V113 L114A93-A97 WeakPolarHBondContact O-CB 3.26Å; A93-A97 PolarHBondContact O-N 3.22Å; L94-A97 PolarHBondContact O-N 2.88Å; A97-L100 PolarHBondContact O-N 3.08Å; A97-A101 WeakPolarHBondContact O-CB 3.44Å; A97-A101 PolarHBondContact O-N 3.48Å; A97-V110 HydrophobicContact CB-CG1 4.17Å; A97-V113 HydrophobicContact CB-CG1 4.34Å; A97-L114 HydrophobicContact CB-CD1 4.12Å; A97-L114 HydrophobicContact CB-CD2 4.05Å; A97-L114 HydrophobicContact CB-CG 3.99Å
98L88.9Confident87.2Confident5 Ų547.4 Ų47.43%0.02628%0.279CS..Hα-helixtrans-67.4-37.1177.3-72.3169.8000112P10 L94 R96 A101 V102 P151 V152 L192 M195 M199P10-L98 HydrophobicContact CG-CD1 4.39Å; L94-L98 WeakPolarHBondContact O-CB 3.47Å; L94-L98 VanDerWaalsContact O-CG 3.29Å; L94-L98 WeakPolarHBondContact O-CG 3.24Å; L94-L98 PolarHBondContact O-N 2.7Å; R96-L98 PolarHBondContact O-N 3.44Å; L98-A101 PolarHBondContact O-N 3.04Å; L98-V102 HydrophobicContact CD2-CG2 4.29Å; L98-V102 WeakPolarHBondContact O-CB 3.31Å; L98-V102 VanDerWaalsContact O-CG2 3.28Å; L98-V102 WeakPolarHBondContact O-CG2 3.38Å; L98-V102 PolarHBondContact O-N 3.46Å; L98-P151 HydrophobicContact CD2-CB 4.16Å; L98-V152 HydrophobicContact CD2-CG2 3.64Å; L98-V152 HydrophobicContact CG-CG2 4.03Å; L98-L192 HydrophobicContact CD2-CD2 3.69Å; L98-M195 HydrophobicContact CD1-SD 4.35Å; L98-M195 HydrophobicContact CD2-SD 3.85Å; L98-M199 HydrophobicContact CB-SD 3.62Å; L98-M199 HydrophobicContact CD1-CE 4.47Å; L98-M199 HydrophobicContact CD1-SD 4.49Å
99H88.3Confident86.8Confident7 Ų747.1 Ų47.13%0.03227%0.272CS..Iπ-helixtrans-61.9-45.1172.6-84.282000112.1L95 R96 L103 Q104 P205L95-H99 PolarHBondContact O-N 2.64Å; L95-H99 PolarHBondContact O-ND1 3.37Å; R96-H99 PolarHBondContact O-N 2.93Å; H99-L103 WeakPolarHBondContact O-CB 3.44Å; H99-L103 PolarHBondContact O-N 3.27Å; H99-L103 VanDerWaalsContact O-N 3.09Å; H99-Q104 PolarHBondContact O-N 3.46Å; H99-Q104 VanDerWaalsContact O-N 3.12Å; H99-P205 HydrophobicContact CB-CG 3.86Å; H99-P205 WeakPolarHBondContact CD2-CD 3.37Å; H99-P205 VanDerWaalsContact CG-CD 3.44Å
100L86.8Confident86.4Confident14 Ų1444.7 Ų44.77%0.07326%0.26CS..Iπ-helixtrans-61.1-47.5176.2-70.2172.2000111.4R96 A97 Q104 G105 K106 E109 V113R96-L100 HydrophobicContact CG-CD1 4.47Å; R96-L100 WeakPolarHBondContact O-CG 3.43Å; R96-L100 PolarHBondContact O-N 3Å; A97-L100 PolarHBondContact O-N 3.08Å; L100-Q104 CarbonylContact O-C 3.59Å; L100-Q104 PolarHBondContact O-N 3.19Å; L100-G105 PolarHBondContact O-N 2.97Å; L100-G105 VanDerWaalsContact O-N 3.09Å; L100-K106 HydrophobicContact CB-CB 4.37Å; L100-K106 HydrophobicContact CD2-CB 4.3Å; L100-K106 HydrophobicContact CD2-CD 4.16Å; L100-K106 PolarHBondContact O-N 3.39Å; L100-E109 HydrophobicContact CD1-CB 4.24Å; L100-V113 HydrophobicContact CD1-CG2 3.64Å
101A86.3Confident86Confident21 Ų2145.8 Ų45.817%0.17427%0.267CS..Iπ-helixtrans-73.6-45.4-174.800000113.3A97 L98 V110 L192A97-A101 WeakPolarHBondContact O-CB 3.44Å; A97-A101 PolarHBondContact O-N 3.48Å; L98-A101 PolarHBondContact O-N 3.04Å; A101-V110 HydrophobicContact CB-CG2 3.88Å; A101-L192 HydrophobicContact CB-CD1 4.04Å
102V86.6Confident85.5Confident23 Ų2350.8 Ų50.814%0.13929%0.288CS..Iπ-helixtrans-91.9-39.2-168.9-1770000112.4L98 L192 M195 K196 M199L98-V102 HydrophobicContact CD2-CG2 4.29Å; L98-V102 WeakPolarHBondContact O-CB 3.31Å; L98-V102 VanDerWaalsContact O-CG2 3.28Å; L98-V102 WeakPolarHBondContact O-CG2 3.38Å; L98-V102 PolarHBondContact O-N 3.46Å; V102-L192 HydrophobicContact CG2-CB 4.16Å; V102-L192 HydrophobicContact CG2-CD2 3.88Å; V102-M195 HydrophobicContact CG1-CB 4.46Å; V102-M195 HydrophobicContact CG2-CB 4.35Å; V102-K196 HydrophobicContact CG1-CB 3.99Å; V102-K196 HydrophobicContact CG1-CG 4.42Å; V102-M199 HydrophobicContact CB-CG 4.27Å; V102-M199 HydrophobicContact CG1-CB 4.33Å; V102-M199 HydrophobicContact CG1-CG 4.23Å; V102-M199 HydrophobicContact CG2-CG 4.48Å
103L86.6Confident85.4Confident68 Ų6848.8 Ų48.836%0.35628%0.275SS..Iπ-helixtrans-99.9-35-175.4-59.2-174.2000113.2H99 M199 Q200H99-L103 WeakPolarHBondContact O-CB 3.44Å; H99-L103 PolarHBondContact O-N 3.27Å; H99-L103 VanDerWaalsContact O-N 3.09Å; L103-M199 HydrophobicContact CD1-CB 4.11Å; L103-M199 HydrophobicContact CD2-CB 3.94Å; L103-M199 HydrophobicContact CG-CB 3.97Å; L103-Q200 HydrophobicContact CD2-CG 3.71Å
104Q84.3Confident85.3Confident112 Ų11248 Ų4852%0.52327%0.268SS..SBendtrans-101.4-8.1-175.4-57-175.811.800113.9H99 L100 K106H99-Q104 PolarHBondContact O-N 3.46Å; H99-Q104 VanDerWaalsContact O-N 3.12Å; L100-Q104 CarbonylContact O-C 3.59Å; L100-Q104 PolarHBondContact O-N 3.19Å; Q104-K106 HydrophobicContact CB-CB 4.49Å; Q104-K106 HydrophobicContact CB-CD 4.3Å; Q104-K106 HydrophobicContact CB-CG 4.19Å; Q104-K106 PolarHBondContact O-N 2.99Å; Q104-K106 VanDerWaalsContact O-N 3.16Å
105G79.4Confident85.1Confident68 Ų6850.8 Ų50.870%0.70128%0.281SS*.  trans64.613.6-177.600000114.5L100 G107L100-G105 PolarHBondContact O-N 2.97Å; L100-G105 VanDerWaalsContact O-N 3.09Å; G105-G107 VanDerWaalsContact C-N 3.3Å; G105-G107 PolarHBondContact O-N 3.49Å
106K82.9Confident85Confident92 Ų9250.1 Ų50.140%0.429%0.287SS..  trans-91.152.2-177.6-69-178.6166.7-158.40111.9L100 Q104 S108 E109L100-K106 HydrophobicContact CB-CB 4.37Å; L100-K106 HydrophobicContact CD2-CB 4.3Å; L100-K106 HydrophobicContact CD2-CD 4.16Å; L100-K106 PolarHBondContact O-N 3.39Å; Q104-K106 HydrophobicContact CB-CB 4.49Å; Q104-K106 HydrophobicContact CB-CD 4.3Å; Q104-K106 HydrophobicContact CB-CG 4.19Å; Q104-K106 PolarHBondContact O-N 2.99Å; Q104-K106 VanDerWaalsContact O-N 3.16Å; K106-S108 PolarHBondContact O-N 3.46Å; K106-E109 WeakPolarHBondContact CD-OE1 3.17Å; K106-E109 IonicContact NZ-OE1 3.62Å; K106-E109 PolarHBondContact O-N 3.21Å; K106-E109 VanDerWaalsContact O-N 3.17Å
107G76Confident85.2Confident36 Ų3646 Ų4637%0.37127%0.273SS..G310 helixtrans-60.1-27.2-177.200000114.4G105 E109 V110G105-G107 VanDerWaalsContact C-N 3.3Å; G105-G107 PolarHBondContact O-N 3.49Å; G107-E109 VanDerWaalsContact C-N 3.27Å; G107-E109 PolarHBondContact O-N 3.26Å; G107-V110 WeakPolarHBondContact O-CB 3.01Å; G107-V110 WeakPolarHBondContact O-CG2 3.23Å; G107-V110 PolarHBondContact O-N 3.41Å
108S77.3Confident85.3Confident97 Ų9746.1 Ų46.168%0.67827%0.274SS*.G310 helixtrans-69.9-17.9178.454.50000114.3K106 P111K106-S108 PolarHBondContact O-N 3.46Å; S108-P111 WeakPolarHBondContact O-CD 3.41Å
109E81.2Confident85.3Confident73 Ų7348.9 Ų48.934%0.34129%0.288SS..G310 helixtrans-90.1-12.7178.8-65.6-176.6-149.500112.9L100 K106 G107 K112 V113L100-E109 HydrophobicContact CD1-CB 4.24Å; K106-E109 WeakPolarHBondContact CD-OE1 3.17Å; K106-E109 IonicContact NZ-OE1 3.62Å; K106-E109 PolarHBondContact O-N 3.21Å; K106-E109 VanDerWaalsContact O-N 3.17Å; G107-E109 VanDerWaalsContact C-N 3.27Å; G107-E109 PolarHBondContact O-N 3.26Å; E109-K112 WeakPolarHBondContact O-CB 3.21Å; E109-K112 PolarHBondContact O-N 3.3Å; E109-V113 PolarHBondContact O-N 3.02Å
110V83.6Confident85.4Confident4 Ų450.7 Ų50.72%0.02430%0.3CS..Hα-helixtrans-56.8-44.5-179.3170.80000113.8A97 A101 G107 K112 V113 L114 V152 V159A97-V110 HydrophobicContact CB-CG1 4.17Å; A101-V110 HydrophobicContact CB-CG2 3.88Å; G107-V110 WeakPolarHBondContact O-CB 3.01Å; G107-V110 WeakPolarHBondContact O-CG2 3.23Å; G107-V110 PolarHBondContact O-N 3.41Å; V110-K112 VanDerWaalsContact C-N 3.26Å; V110-K112 PolarHBondContact O-N 2.67Å; V110-V113 PolarHBondContact O-N 3.06Å; V110-L114 HydrophobicContact CG1-CD1 3.98Å; V110-L114 HydrophobicContact CG1-CG 4.5Å; V110-L114 PolarHBondContact O-N 3.41Å; V110-L114 VanDerWaalsContact O-N 3.12Å; V110-V152 HydrophobicContact CG1-CG1 3.37Å; V110-V159 HydrophobicContact CG1-CG2 4.25Å
111P83.4Confident85.7Confident24 Ų2450.1 Ų50.116%0.15630%0.297CS..Hα-helixtrans-56.7-39.9177.2-21.530.2000112.5S108 V113 L114 Q115 L158 V159S108-P111 WeakPolarHBondContact O-CD 3.41Å; P111-V113 VanDerWaalsContact C-N 3.33Å; P111-V113 PolarHBondContact O-N 3.31Å; P111-L114 PolarHBondContact O-N 3.14Å; P111-Q115 WeakPolarHBondContact O-CB 3.32Å; P111-Q115 PolarHBondContact O-N 3.42Å; P111-L158 HydrophobicContact CG-CB 4.37Å; P111-V159 HydrophobicContact CB-CG2 4.1Å; P111-V159 HydrophobicContact CG-CG2 3.7Å
112K82.9Confident85.9Confident172 Ų17250.4 Ų50.475%0.74830%0.296SS*.Hα-helixtrans-63.3-38.7179.9-62.7-178178.8179.90112.2E109 V110E109-K112 WeakPolarHBondContact O-CB 3.21Å; E109-K112 PolarHBondContact O-N 3.3Å; V110-K112 VanDerWaalsContact C-N 3.26Å; V110-K112 PolarHBondContact O-N 2.67Å
113V87.1Confident86Confident30 Ų3054.7 Ų54.718%0.18231%0.314CS..Hα-helixtrans-72-36.3179.7177.70000111.8A93 R96 A97 L100 E109 V110 P111A93-V113 WeakPolarHBondContact O-CG1 3.3Å; R96-V113 HydrophobicContact CB-CG1 4.07Å; R96-V113 HydrophobicContact CG-CG1 4.01Å; R96-V113 HydrophobicContact CG-CG2 4.43Å; A97-V113 HydrophobicContact CB-CG1 4.34Å; L100-V113 HydrophobicContact CD1-CG2 3.64Å; E109-V113 PolarHBondContact O-N 3.02Å; V110-V113 PolarHBondContact O-N 3.06Å; P111-V113 VanDerWaalsContact C-N 3.33Å; P111-V113 PolarHBondContact O-N 3.31Å
114L89.4Confident86Confident0 Ų053.7 Ų53.70%031%0.313CS..Hα-helixtrans-91.7-7.4-177.1-64.2-178.2000114A93 L94 A97 V110 P111 G116 P117 L118 V152A93-L114 HydrophobicContact CB-CD2 4.06Å; L94-L114 HydrophobicContact CD2-CD1 4.22Å; L94-L114 HydrophobicContact CD2-CD2 4.04Å; L94-L114 HydrophobicContact CG-CD2 4.31Å; A97-L114 HydrophobicContact CB-CD1 4.12Å; A97-L114 HydrophobicContact CB-CD2 4.05Å; A97-L114 HydrophobicContact CB-CG 3.99Å; V110-L114 HydrophobicContact CG1-CD1 3.98Å; V110-L114 HydrophobicContact CG1-CG 4.5Å; V110-L114 PolarHBondContact O-N 3.41Å; V110-L114 VanDerWaalsContact O-N 3.12Å; P111-L114 PolarHBondContact O-N 3.14Å; L114-G116 VanDerWaalsContact C-N 3.35Å; L114-G116 PolarHBondContact O-N 3.23Å; L114-P117 WeakPolarHBondContact O-CD 3.31Å; L114-L118 HydrophobicContact CB-CD1 3.72Å; L114-L118 HydrophobicContact CB-CG 4.16Å; L114-L118 WeakPolarHBondContact O-CB 3.49Å; L114-L118 WeakPolarHBondContact O-CG 3.47Å; L114-L118 PolarHBondContact O-N 2.99Å; L114-V152 HydrophobicContact CD1-CB 4.32Å; L114-V152 HydrophobicContact CD1-CG1 3.65Å
115Q87.8Confident86.2Confident67 Ų6749.4 Ų49.431%0.31329%0.294SS..Hα-helixtrans-52.7-48.8-176.7-170.468.63900112.8P111 L118 N119 H163P111-Q115 WeakPolarHBondContact O-CB 3.32Å; P111-Q115 PolarHBondContact O-N 3.42Å; Q115-L118 PolarHBondContact O-N 3.1Å; Q115-N119 PolarHBondContact NE2-OD1 3.02Å; Q115-N119 WeakPolarHBondContact O-CB 3.48Å; Q115-N119 PolarHBondContact O-N 2.94Å; Q115-N119 PolarHBondContact O-OD1 2.75Å; Q115-H163 PolarHBondContact NE2-CE1 3.17Å; Q115-H163 VanDerWaalsContact NE2-CE1 3.26Å; Q115-H163 PolarHBondContact NE2-NE2 3Å
116G88.1Confident86.4Confident40 Ų4049.2 Ų49.241%0.41229%0.285SS..Hα-helixtrans-60-58.5-179.200000112.6L114 L118 N119 V120L114-G116 VanDerWaalsContact C-N 3.35Å; L114-G116 PolarHBondContact O-N 3.23Å; G116-L118 VanDerWaalsContact C-N 3.31Å; G116-L118 PolarHBondContact O-N 2.66Å; G116-N119 WeakPolarHBondContact O-CB 2.98Å; G116-N119 PolarHBondContact O-N 2.65Å; G116-V120 PolarHBondContact O-N 2.49Å
117P92.3Very high86.1Confident14 Ų1453.1 Ų53.19%0.09130%0.302CS..Hα-helixtrans-57.4-39.1176.6-28.135.1000114.1W85 I89 L90 A93 L114 V120 L121W85-P117 HydrophobicContact CH2-CB 4Å; W85-P117 WeakPolarHBondContact CH2-O 3.25Å; W85-P117 HydrophobicContact CZ2-CB 4.04Å; I89-P117 HydrophobicContact CG2-CG 4.44Å; L90-P117 HydrophobicContact CD1-CB 3.76Å; L90-P117 HydrophobicContact CD1-CG 4.49Å; A93-P117 HydrophobicContact CB-CG 3.86Å; L114-P117 WeakPolarHBondContact O-CD 3.31Å; P117-V120 PolarHBondContact O-N 2.85Å; P117-L121 PolarHBondContact O-N 3.42Å
118L91.4Very high85.7Confident2 Ų253 Ų531%0.0130%0.301CS..Hα-helixtrans-70.4-35.5178.8-67.6172.3000112.5L114 Q115 G116 V120 L121 D122 L149 L153 V159 V166L114-L118 HydrophobicContact CB-CD1 3.72Å; L114-L118 HydrophobicContact CB-CG 4.16Å; L114-L118 WeakPolarHBondContact O-CB 3.49Å; L114-L118 WeakPolarHBondContact O-CG 3.47Å; L114-L118 PolarHBondContact O-N 2.99Å; Q115-L118 PolarHBondContact O-N 3.1Å; G116-L118 VanDerWaalsContact C-N 3.31Å; G116-L118 PolarHBondContact O-N 2.66Å; L118-V120 VanDerWaalsContact C-N 3.34Å; L118-V120 PolarHBondContact O-N 3.29Å; L118-L121 PolarHBondContact O-N 2.99Å; L118-D122 VanDerWaalsContact O-CB 3.29Å; L118-D122 WeakPolarHBondContact O-CB 3.46Å; L118-D122 PolarHBondContact O-N 2.86Å; L118-L149 HydrophobicContact CD2-CD2 4.1Å; L118-L153 HydrophobicContact CD2-CD1 4.46Å; L118-V159 HydrophobicContact CD1-CG1 3.2Å; L118-V166 HydrophobicContact CD2-CG1 4.18Å
119N90.1Very high85.2Confident62 Ų6254.2 Ų54.233%0.33231%0.31SS..Hα-helixtrans-60.2-44.6172.3-74.1-8.2000111.2Q115 G116 D122 Q123 H163Q115-N119 PolarHBondContact NE2-OD1 3.02Å; Q115-N119 WeakPolarHBondContact O-CB 3.48Å; Q115-N119 PolarHBondContact O-N 2.94Å; Q115-N119 PolarHBondContact O-OD1 2.75Å; G116-N119 WeakPolarHBondContact O-CB 2.98Å; G116-N119 PolarHBondContact O-N 2.65Å; N119-D122 PolarHBondContact O-N 2.63Å; N119-Q123 WeakPolarHBondContact O-CB 3.14Å; N119-Q123 VanDerWaalsContact O-CG 3.24Å; N119-Q123 WeakPolarHBondContact O-CG 3.39Å; N119-Q123 PolarHBondContact O-N 2.82Å; N119-H163 PolarHBondContact OD1-NE2 3.2Å
120V90.7Very high85.1Confident46 Ų4653.2 Ų53.228%0.27931%0.308SS..Hα-helixtrans-63.1-44.1178.6174.30000110.9W85 G116 P117 L118 S124W85-V120 HydrophobicContact CZ2-CB 3.99Å; W85-V120 HydrophobicContact CZ2-CG1 3.95Å; G116-V120 PolarHBondContact O-N 2.49Å; P117-V120 PolarHBondContact O-N 2.85Å; L118-V120 VanDerWaalsContact C-N 3.34Å; L118-V120 PolarHBondContact O-N 3.29Å; V120-S124 WeakPolarHBondContact O-CB 3.46Å; V120-S124 PolarHBondContact O-N 3.28Å; V120-S124 PolarHBondContact O-OG 3.5Å
121L91.5Very high85Confident1 Ų154.4 Ų54.41%0.00532%0.319CS..Hα-helixtrans-65.3-43.6177.7-171.961.1000111.7W82 P117 L118 S124 L125 L133 L145 L149 V166 W169W82-L121 HydrophobicContact CH2-CD1 3.82Å; W82-L121 HydrophobicContact CZ3-CD1 3.88Å; P117-L121 PolarHBondContact O-N 3.42Å; L118-L121 PolarHBondContact O-N 2.99Å; L121-S124 PolarHBondContact O-N 3.35Å; L121-L125 HydrophobicContact CD1-CD1 4.23Å; L121-L125 HydrophobicContact CG-CD1 3.94Å; L121-L125 WeakPolarHBondContact O-CB 3.43Å; L121-L125 VanDerWaalsContact O-CG 3.32Å; L121-L125 WeakPolarHBondContact O-CG 3.44Å; L121-L125 PolarHBondContact O-N 3.4Å; L121-L133 HydrophobicContact CD1-CD2 3.68Å; L121-L145 HydrophobicContact CD1-CD2 3.73Å; L121-L149 HydrophobicContact CD2-CD1 3.75Å; L121-V166 HydrophobicContact CB-CG2 4.08Å; L121-V166 HydrophobicContact CD2-CG1 4.09Å; L121-V166 HydrophobicContact CD2-CG2 4.16Å; L121-V166 HydrophobicContact CG-CG2 3.98Å; L121-W169 HydrophobicContact CD2-CE3 4.29Å; L121-W169 HydrophobicContact CD2-CH2 4.28Å; L121-W169 HydrophobicContact CD2-CZ3 3.8Å
122D90.6Very high85.2Confident28 Ų2855.1 Ų55.115%0.1532%0.319CS..Hα-helixtrans-65.3-44.9179.6-161.975.2000111.9L118 N119 S124 L125 A126 H163 S165 V166L118-D122 VanDerWaalsContact O-CB 3.29Å; L118-D122 WeakPolarHBondContact O-CB 3.46Å; L118-D122 PolarHBondContact O-N 2.86Å; N119-D122 PolarHBondContact O-N 2.63Å; D122-S124 VanDerWaalsContact C-N 3.29Å; D122-S124 PolarHBondContact O-N 2.96Å; D122-L125 PolarHBondContact O-N 3.49Å; D122-A126 WeakPolarHBondContact O-CB 3.36Å; D122-A126 PolarHBondContact O-N 3.21Å; D122-H163 HydrophobicContact CB-CB 4.14Å; D122-H163 VanDerWaalsContact OD1-CA 3.31Å; D122-H163 WeakPolarHBondContact OD1-CA 3.42Å; D122-H163 WeakPolarHBondContact OD1-CB 3.27Å; D122-S165 WeakPolarHBondContact OD1-CA 3.42Å; D122-S165 WeakPolarHBondContact OD1-CB 3.39Å; D122-S165 PolarHBondContact OD1-N 3.48Å; D122-V166 VanDerWaalsContact CA-CG2 3.49Å; D122-V166 HydrophobicContact CB-CG2 3.56Å; D122-V166 PolarHBondContact OD1-N 3.46Å
123Q88.6Confident85.4Confident112 Ų11247.5 Ų47.552%0.52329%0.286SS..Hα-helixtrans-61-39.3174.9-73.9177.712.100112N119 A126 K127N119-Q123 WeakPolarHBondContact O-CB 3.14Å; N119-Q123 VanDerWaalsContact O-CG 3.24Å; N119-Q123 WeakPolarHBondContact O-CG 3.39Å; N119-Q123 PolarHBondContact O-N 2.82Å; Q123-A126 PolarHBondContact O-N 3.43Å; Q123-K127 WeakPolarHBondContact O-CB 3.46Å; Q123-K127 VanDerWaalsContact O-CG 3.25Å; Q123-K127 WeakPolarHBondContact O-CG 3.16Å; Q123-K127 PolarHBondContact O-N 3.11Å
124S88.1Confident85.3Confident48 Ų4847.8 Ų47.834%0.33629%0.288SS..Hα-helixtrans-69-41.3179.6-58.30000111.7W82 V120 L121 D122 G128W82-S124 WeakPolarHBondContact CH2-OG 3.26Å; W82-S124 VanDerWaalsContact CZ2-CB 3.49Å; V120-S124 WeakPolarHBondContact O-CB 3.46Å; V120-S124 PolarHBondContact O-N 3.28Å; V120-S124 PolarHBondContact O-OG 3.5Å; L121-S124 PolarHBondContact O-N 3.35Å; D122-S124 VanDerWaalsContact C-N 3.29Å; D122-S124 PolarHBondContact O-N 2.96Å; S124-G128 PolarHBondContact O-N 3.08Å
125L87.6Confident85Confident22 Ų2248.7 Ų48.712%0.11530%0.297CS..Hα-helixtrans-69.8-33.4175.2-72.1167000112.4L121 D122 L133 V166 W169L121-L125 HydrophobicContact CD1-CD1 4.23Å; L121-L125 HydrophobicContact CG-CD1 3.94Å; L121-L125 WeakPolarHBondContact O-CB 3.43Å; L121-L125 VanDerWaalsContact O-CG 3.32Å; L121-L125 WeakPolarHBondContact O-CG 3.44Å; L121-L125 PolarHBondContact O-N 3.4Å; D122-L125 PolarHBondContact O-N 3.49Å; L125-L133 HydrophobicContact CD2-CD2 3.6Å; L125-L133 HydrophobicContact CD2-CG 4.21Å; L125-L133 HydrophobicContact CG-CD2 3.97Å; L125-V166 HydrophobicContact CD1-CG2 4.13Å; L125-W169 HydrophobicContact CD1-CB 3.63Å; L125-W169 HydrophobicContact CD1-CD2 3.94Å; L125-W169 HydrophobicContact CD1-CE3 4.13Å; L125-W169 HydrophobicContact CD1-CG 3.73Å; L125-W169 HydrophobicContact CD2-CB 4.01Å; L125-W169 HydrophobicContact CD2-CG 3.81Å; L125-W169 HydrophobicContact CG-CB 4.46Å; L125-W169 HydrophobicContact CG-CG 4.46Å
126A84.6Confident84.8Confident63 Ų6351.7 Ų51.752%0.52131%0.311SS..Hα-helixtrans-73.6-31.5178.100000112.9D122 Q123D122-A126 WeakPolarHBondContact O-CB 3.36Å; D122-A126 PolarHBondContact O-N 3.21Å; Q123-A126 PolarHBondContact O-N 3.43Å
127K76.1Confident84.7Confident175 Ų17553.3 Ų53.376%0.76132%0.32SS*.Hα-helixtrans-79.6-20175.9-72.5174.4-178.51790113Q123Q123-K127 WeakPolarHBondContact O-CB 3.46Å; Q123-K127 VanDerWaalsContact O-CG 3.25Å; Q123-K127 WeakPolarHBondContact O-CG 3.16Å; Q123-K127 PolarHBondContact O-N 3.11Å
128G66.3Low84.6Confident34 Ų3454.3 Ų54.335%0.35133%0.326SS..  trans-80.2138.2179.400000112.6S124 T130S124-G128 PolarHBondContact O-N 3.08Å; G128-T130 PolarHBondContact O-N 3.28Å
129S68Low84.7Confident122 Ų12254.8 Ų54.885%0.85333%0.33SS*.SBendtrans-85.68.9170.765.70000113.2
130T79.2Confident84.8Confident51 Ų5152.1 Ų52.131%0.31332%0.316SS..SBendtrans-112.8151.3-167.354.90000112.6G128 Y132 E136G128-T130 PolarHBondContact O-N 3.28Å; T130-Y132 VanDerWaalsContact C-N 3.29Å; T130-Y132 PolarHBondContact O-N 3.29Å; T130-Y132 PolarHBondContact OG1-O 3.02Å; T130-E136 WeakPolarHBondContact CA-OE1 3.2Å
131A80.5Confident85Confident29 Ų2950 Ų5024%0.2430%0.302CS..SBendtrans-66.8-26.1-178.300000114.6R172A131-R172 VanDerWaalsContact O-CZ 3.3Å; A131-R172 PolarHBondContact O-NE 3.03Å; A131-R172 PolarHBondContact O-NH2 3.35Å
132Y87.9Confident85.1Confident40 Ų4049.9 Ų49.916%0.15730%0.302CS..BIsolated β-bridgetrans-129.1173.6-179.8-59.9-81.3000111.3T130 T134 G135 E136 A137 V138 D142 R172 V173T130-Y132 VanDerWaalsContact C-N 3.29Å; T130-Y132 PolarHBondContact O-N 3.29Å; T130-Y132 PolarHBondContact OG1-O 3.02Å; Y132-T134 PolarHBondContact O-N 3.02Å; Y132-T134 VanDerWaalsContact O-N 3.16Å; Y132-G135 WeakPolarHBondContact CA-O 3.34Å; Y132-G135 WeakPolarHBondContact CB-O 3.39Å; Y132-G135 PolarHBondContact N-O 3.02Å; Y132-G135 PolarHBondContact O-N 3.34Å; Y132-E136 WeakPolarHBondContact CD2-O 3.4Å; Y132-E136 WeakPolarHBondContact CE2-O 3.25Å; Y132-A137 VanDerWaalsContact CD2-C 3.45Å; Y132-V138 HydrophobicContact CD1-CG2 4.02Å; Y132-V138 HydrophobicContact CE1-CG2 3.47Å; Y132-V138 VanDerWaalsContact CE1-CG2 3.47Å; Y132-V138 HydrophobicContact CE2-CG2 4.13Å; Y132-D142 WeakPolarHBondContact CB-OD1 3.46Å; Y132-R172 HydrophobicContact CE1-CB 4.27Å; Y132-V173 HydrophobicContact CD1-CG2 3.97Å; Y132-V173 HydrophobicContact CE1-CG2 3.97Å
133L87.1Confident85.3Confident12 Ų1248.6 Ų48.66%0.06330%0.295CS..THydrogen-bonded Turntrans-59-31.5-170.3-75168.5000114.5W82 L121 L125 A141 D142 L145 W169W82-L133 HydrophobicContact CH2-CD2 4.4Å; W82-L133 HydrophobicContact CZ2-CD2 3.86Å; L121-L133 HydrophobicContact CD1-CD2 3.68Å; L125-L133 HydrophobicContact CD2-CD2 3.6Å; L125-L133 HydrophobicContact CD2-CG 4.21Å; L125-L133 HydrophobicContact CG-CD2 3.97Å; L133-A141 HydrophobicContact CD1-CB 4.32Å; L133-D142 WeakPolarHBondContact CB-OD1 3.35Å; L133-D142 WeakPolarHBondContact CG-OD1 3.42Å; L133-D142 PolarHBondContact N-OD1 2.89Å; L133-L145 HydrophobicContact CD1-CD2 3.79Å; L133-W169 HydrophobicContact CD1-CZ2 3.87Å; L133-W169 HydrophobicContact CG-CZ2 4.41Å
134T84.5Confident85.6Confident36 Ų3643.2 Ų43.222%0.22127%0.27CS..THydrogen-bonded Turntrans-127.28.7-17568.50000113.3Q78 C79 Y132 S139Q78-T134 HydrophobicContact CB-CG2 4.3Å; Q78-T134 HydrophobicContact CG-CG2 4.05Å; C79-T134 VanDerWaalsContact SG-CG2 3.59Å; Y132-T134 PolarHBondContact O-N 3.02Å; Y132-T134 VanDerWaalsContact O-N 3.16Å; T134-S139 WeakPolarHBondContact OG1-CB 3.11Å; T134-S139 PolarHBondContact OG1-OG 3.23Å
135G84.1Confident86Confident18 Ų1841 Ų4119%0.18625%0.254CS..BIsolated β-bridgetrans161.6-163.3-178.700000115Y132 A137Y132-G135 WeakPolarHBondContact CA-O 3.34Å; Y132-G135 WeakPolarHBondContact CB-O 3.39Å; Y132-G135 PolarHBondContact N-O 3.02Å; Y132-G135 PolarHBondContact O-N 3.34Å; G135-A137 VanDerWaalsContact C-N 3.34Å
136E84Confident86.4Confident131 Ų13140 Ų4061%0.61225%0.249SC*.SBendtrans-83.9-7.6-179.7-64.3-54.6141.200114T130 Y132T130-E136 WeakPolarHBondContact CA-OE1 3.2Å; Y132-E136 WeakPolarHBondContact CD2-O 3.4Å; Y132-E136 WeakPolarHBondContact CE2-O 3.25Å
137A86.3Confident86.8Confident74 Ų7437 Ų3761%0.61222%0.224SC*.SBendtrans-120.5154.217800000111.1Y132 G135 S139Y132-A137 VanDerWaalsContact CD2-C 3.45Å; G135-A137 VanDerWaalsContact C-N 3.34Å; A137-S139 PolarHBondContact O-N 2.93Å
138V89.9Confident87.6Confident34 Ų3428.8 Ų28.821%0.20619%0.189CC..  trans-62119.8177.7179.80000109.7V21 Y132 D142 V143 V176V21-V138 HydrophobicContact CG1-CG1 4.44Å; Y132-V138 HydrophobicContact CD1-CG2 4.02Å; Y132-V138 HydrophobicContact CE1-CG2 3.47Å; Y132-V138 VanDerWaalsContact CE1-CG2 3.47Å; Y132-V138 HydrophobicContact CE2-CG2 4.13Å; V138-D142 HydrophobicContact CG1-CB 4.09Å; V138-V143 HydrophobicContact CG1-CG2 3.64Å; V138-V176 HydrophobicContact CG2-CG2 3.83Å
139S92.1Very high88.9Confident13 Ų1327.2 Ų27.29%0.09117%0.173CC..  trans-97.1173.5176.975.40000112.4T134 A137 A141 D142 V143T134-S139 WeakPolarHBondContact OG1-CB 3.11Å; T134-S139 PolarHBondContact OG1-OG 3.23Å; A137-S139 PolarHBondContact O-N 2.93Å; S139-A141 PolarHBondContact O-N 3.49Å; S139-A141 PolarHBondContact OG-N 3.18Å; S139-D142 VanDerWaalsContact CB-OD2 3.28Å; S139-D142 WeakPolarHBondContact CB-OD2 3.35Å; S139-D142 PolarHBondContact N-OD2 2.9Å; S139-D142 PolarHBondContact O-N 3.18Å; S139-D142 PolarHBondContact OG-N 3.09Å; S139-D142 PolarHBondContact OG-OD2 3.2Å; S139-V143 PolarHBondContact O-N 3.39Å
140V93.5Very high90Very high6 Ų622.8 Ų22.84%0.03614%0.138CC..Hα-helixtrans-59.7-35.7170.365.60000111.9C64 F68 C79 L83 V143 V144C64-V140 HydrophobicContact CB-CG2 3.83Å; F68-V140 HydrophobicContact CB-CB 4.23Å; F68-V140 HydrophobicContact CD1-CB 4.23Å; F68-V140 HydrophobicContact CD2-CB 3.77Å; F68-V140 HydrophobicContact CD2-CG2 3.82Å; F68-V140 HydrophobicContact CE2-CB 4.11Å; F68-V140 HydrophobicContact CE2-CG2 4.25Å; F68-V140 HydrophobicContact CG-CB 3.82Å; F68-V140 HydrophobicContact CG-CG2 4.28Å; F68-V140 HydrophobicContact CZ-CB 4.49Å; C79-V140 HydrophobicContact CB-CG1 4.07Å; L83-V140 HydrophobicContact CD1-CG1 4.16Å; L83-V140 HydrophobicContact CD1-CG2 4.47Å; L83-V140 HydrophobicContact CD2-CG2 4.45Å; V140-V143 PolarHBondContact O-N 3.49Å; V140-V144 HydrophobicContact CG2-CG2 4.26Å; V140-V144 WeakPolarHBondContact O-CB 3.33Å; V140-V144 VanDerWaalsContact O-CG2 3.3Å; V140-V144 WeakPolarHBondContact O-CG2 3.3Å; V140-V144 PolarHBondContact O-N 2.96Å
141A93.9Very high90.4Very high0 Ų020.4 Ų20.40%012%0.124CC..Hα-helixtrans-64.4-43.7177.600000110.7W82 L133 S139 V143 V144 L145W82-A141 HydrophobicContact CB-CB 3.66Å; W82-A141 HydrophobicContact CG-CB 4.22Å; L133-A141 HydrophobicContact CD1-CB 4.32Å; S139-A141 PolarHBondContact O-N 3.49Å; S139-A141 PolarHBondContact OG-N 3.18Å; A141-V143 PolarHBondContact O-N 3.3Å; A141-V144 PolarHBondContact O-N 3.22Å; A141-L145 WeakPolarHBondContact O-CB 3.11Å; A141-L145 VanDerWaalsContact O-CD1 3.3Å; A141-L145 WeakPolarHBondContact O-CD1 3.39Å; A141-L145 PolarHBondContact O-N 3.45Å
142D94.4Very high90.8Very high0 Ų019.2 Ų19.20%011%0.114CC..Hα-helixtrans-59.1-47.1177.7-63-74.8000111.7Y132 L133 V138 S139 W146 W169 V173Y132-D142 WeakPolarHBondContact CB-OD1 3.46Å; L133-D142 WeakPolarHBondContact CB-OD1 3.35Å; L133-D142 WeakPolarHBondContact CG-OD1 3.42Å; L133-D142 PolarHBondContact N-OD1 2.89Å; V138-D142 HydrophobicContact CG1-CB 4.09Å; S139-D142 VanDerWaalsContact CB-OD2 3.28Å; S139-D142 WeakPolarHBondContact CB-OD2 3.35Å; S139-D142 PolarHBondContact N-OD2 2.9Å; S139-D142 PolarHBondContact O-N 3.18Å; S139-D142 PolarHBondContact OG-N 3.09Å; S139-D142 PolarHBondContact OG-OD2 3.2Å; D142-W146 WeakPolarHBondContact O-CB 3.44Å; D142-W146 PolarHBondContact O-N 2.98Å; D142-W169 PolarHBondContact OD1-NE1 2.81Å; D142-V173 HydrophobicContact CB-CG2 4.12Å
143V94.6Very high90.7Very high0 Ų017.8 Ų17.80%011%0.109CC..Hα-helixtrans-66.7-40.5-179.5176.80000112A17 A18 V21 F68 V138 S139 V140 A141 G147A17-V143 HydrophobicContact CB-CG1 3.6Å; A18-V143 HydrophobicContact CB-CG1 4.15Å; V21-V143 HydrophobicContact CB-CG2 4.42Å; V21-V143 HydrophobicContact CG1-CG2 4.29Å; V21-V143 HydrophobicContact CG2-CG2 4.13Å; F68-V143 HydrophobicContact CE2-CB 4.41Å; F68-V143 HydrophobicContact CE2-CG2 4.2Å; F68-V143 HydrophobicContact CZ-CB 4.46Å; F68-V143 HydrophobicContact CZ-CG2 3.82Å; V138-V143 HydrophobicContact CG1-CG2 3.64Å; S139-V143 PolarHBondContact O-N 3.39Å; V140-V143 PolarHBondContact O-N 3.49Å; A141-V143 PolarHBondContact O-N 3.3Å; V143-G147 PolarHBondContact O-N 3.12Å
144V95.8Very high90.3Very high0 Ų020 Ų200%013%0.126CC..Hα-helixtrans-68.6-48.8-179.4166.70000111.3K14 N61 C64 L83 E86 V140 A141 G147 A148K14-V144 HydrophobicContact CD-CG1 4.33Å; N61-V144 WeakPolarHBondContact OD1-CG1 3.35Å; C64-V144 HydrophobicContact CB-CG2 3.66Å; L83-V144 HydrophobicContact CD2-CB 3.71Å; L83-V144 HydrophobicContact CD2-CG1 3.74Å; L83-V144 HydrophobicContact CD2-CG2 3.64Å; E86-V144 HydrophobicContact CB-CG1 4.45Å; E86-V144 HydrophobicContact CG-CG1 4.02Å; V140-V144 HydrophobicContact CG2-CG2 4.26Å; V140-V144 WeakPolarHBondContact O-CB 3.33Å; V140-V144 VanDerWaalsContact O-CG2 3.3Å; V140-V144 WeakPolarHBondContact O-CG2 3.3Å; V140-V144 PolarHBondContact O-N 2.96Å; A141-V144 PolarHBondContact O-N 3.22Å; V144-G147 PolarHBondContact O-N 3.34Å; V144-A148 WeakPolarHBondContact O-CB 3.28Å; V144-A148 PolarHBondContact O-N 3Å
145L95.2Very high89.7Confident0 Ų022.5 Ų22.50%014%0.14CC..Hα-helixtrans-66.7-42.7179.3-87.469.7000111W82 W85 E86 L90 L121 L133 A141 A148 L149 W169W82-L145 HydrophobicContact CB-CD1 4.3Å; W82-L145 HydrophobicContact CD2-CD2 4.31Å; W82-L145 HydrophobicContact CE3-CD2 3.64Å; W82-L145 HydrophobicContact CZ3-CD2 4.03Å; W85-L145 HydrophobicContact CE3-CD2 4.24Å; W85-L145 HydrophobicContact CZ3-CD2 3.92Å; W85-L145 HydrophobicContact CZ3-CG 4.48Å; E86-L145 HydrophobicContact CB-CD1 3.84Å; E86-L145 HydrophobicContact CB-CG 4.46Å; E86-L145 HydrophobicContact CG-CD1 4.07Å; E86-L145 HydrophobicContact CG-CG 4.35Å; L90-L145 HydrophobicContact CD2-CG 4.38Å; L121-L145 HydrophobicContact CD1-CD2 3.73Å; L133-L145 HydrophobicContact CD1-CD2 3.79Å; A141-L145 WeakPolarHBondContact O-CB 3.11Å; A141-L145 VanDerWaalsContact O-CD1 3.3Å; A141-L145 WeakPolarHBondContact O-CD1 3.39Å; A141-L145 PolarHBondContact O-N 3.45Å; L145-A148 WeakPolarHBondContact O-CB 3.19Å; L145-A148 PolarHBondContact O-N 2.9Å; L145-L149 WeakPolarHBondContact O-CB 3.37Å; L145-L149 WeakPolarHBondContact O-CG 3.49Å; L145-L149 PolarHBondContact O-N 3.47Å; L145-W169 HydrophobicContact CB-CH2 3.81Å; L145-W169 HydrophobicContact CB-CZ2 4.13Å
146W95.5Very high88.7Confident1 Ų122.9 Ų22.90%0.00414%0.14CC..Hα-helixtrans-60.2-47.6174.717487000111.4L13 A17 D142 A148 L149 H150 W169 F170 V173 A174 C179 A183L13-W146 HydrophobicContact CD1-CH2 4.5Å; L13-W146 HydrophobicContact CD1-CZ3 4.27Å; L13-W146 HydrophobicContact CG-CZ3 4.49Å; A17-W146 HydrophobicContact CB-CZ3 4.06Å; D142-W146 WeakPolarHBondContact O-CB 3.44Å; D142-W146 PolarHBondContact O-N 2.98Å; W146-A148 PolarHBondContact O-N 3.44Å; W146-L149 PolarHBondContact O-N 2.89Å; W146-H150 HydrophobicContact CD2-CB 4.42Å; W146-H150 AromaticContact CE2-CD2 3.61Å; W146-H150 HydrophobicContact CH2-CB 4.44Å; W146-H150 AromaticContact CH2-CD2 3.77Å; W146-H150 HydrophobicContact CZ2-CB 4.2Å; W146-H150 AromaticContact CZ2-CD2 3.12Å; W146-H150 WeakPolarHBondContact CZ2-CD2 3.34Å; W146-H150 AromaticContact CZ2-CG 3.8Å; W146-H150 AromaticContact CZ2-NE2 3.82Å; W146-H150 AromaticContact NE1-CD2 3.94Å; W146-H150 WeakPolarHBondContact O-CB 3.49Å; W146-H150 PolarHBondContact O-N 3.49Å; W146-W169 HydrophobicContact CB-CH2 4.26Å; W146-F170 AromaticContact CD1-CD2 3.65Å; W146-F170 AromaticContact CD1-CE2 3.56Å; W146-F170 HydrophobicContact CG-CE2 4.4Å; W146-F170 AromaticContact NE1-CE2 3.79Å; W146-F170 AromaticContact NE1-CZ 3.86Å; W146-V173 HydrophobicContact CB-CB 4.09Å; W146-V173 HydrophobicContact CB-CG1 3.48Å; W146-V173 VanDerWaalsContact CB-CG1 3.48Å; W146-V173 HydrophobicContact CD2-CG1 4.03Å; W146-V173 HydrophobicContact CG-CB 3.93Å; W146-V173 HydrophobicContact CG-CG1 3.45Å; W146-V173 VanDerWaalsContact CG-CG1 3.45Å; W146-A174 HydrophobicContact CZ2-CB 4.38Å; W146-C179 HydrophobicContact CD2-CB 4.22Å; W146-C179 HydrophobicContact CE3-CB 3.87Å; W146-C179 HydrophobicContact CH2-CB 3.4Å; W146-C179 VanDerWaalsContact CH2-CB 3.4Å; W146-C179 VanDerWaalsContact CH2-O 3.25Å; W146-C179 WeakPolarHBondContact CH2-O 3.45Å; W146-C179 HydrophobicContact CZ2-CB 3.71Å; W146-C179 HydrophobicContact CZ3-CB 3.47Å; W146-C179 VanDerWaalsContact CZ3-CB 3.47Å; W146-A183 HydrophobicContact CH2-CB 4.1Å
147G94.2Very high87.3Confident0 Ų022 Ų220%015%0.149CC..Hα-helixtrans-62.9-31.6179.400000113V143 V144V143-G147 PolarHBondContact O-N 3.12Å; V144-G147 PolarHBondContact O-N 3.34Å
148A93.6Very high85.7Confident4 Ų424.2 Ų24.23%0.03315%0.15CC..Hα-helixtrans-68.9-46.2173.800000112K14 E86 L90 L94 V144 L145 W146 P151K14-A148 VanDerWaalsContact CE-CB 3.49Å; E86-A148 HydrophobicContact CG-CB 4.41Å; L90-A148 HydrophobicContact CD2-CB 4.3Å; L94-A148 HydrophobicContact CD1-CB 3.46Å; L94-A148 VanDerWaalsContact CD1-CB 3.46Å; L94-A148 WeakPolarHBondContact CD1-O 3.11Å; V144-A148 WeakPolarHBondContact O-CB 3.28Å; V144-A148 PolarHBondContact O-N 3Å; L145-A148 WeakPolarHBondContact O-CB 3.19Å; L145-A148 PolarHBondContact O-N 2.9Å; W146-A148 PolarHBondContact O-N 3.44Å; A148-P151 WeakPolarHBondContact O-CD 3.36Å
149L92.4Very high84.3Confident1 Ų122.9 Ų22.91%0.00514%0.141CC..Hα-helixtrans-81.3-27.8-173.9-71.7167.4000113.5L90 L94 L118 L121 L145 W146 V152 L153 W169 F170L90-L149 HydrophobicContact CD1-CD2 3.91Å; L90-L149 HydrophobicContact CD2-CD1 4.35Å; L90-L149 HydrophobicContact CD2-CD2 4.14Å; L90-L149 HydrophobicContact CD2-CG 4.03Å; L94-L149 HydrophobicContact CD2-CD2 4.24Å; L118-L149 HydrophobicContact CD2-CD2 4.1Å; L121-L149 HydrophobicContact CD2-CD1 3.75Å; L145-L149 WeakPolarHBondContact O-CB 3.37Å; L145-L149 WeakPolarHBondContact O-CG 3.49Å; L145-L149 PolarHBondContact O-N 3.47Å; W146-L149 PolarHBondContact O-N 2.89Å; L149-V152 PolarHBondContact O-N 3.49Å; L149-L153 HydrophobicContact CB-CD1 3.7Å; L149-L153 HydrophobicContact CB-CG 4.06Å; L149-L153 HydrophobicContact CD1-CD1 4.16Å; L149-L153 HydrophobicContact CD2-CD1 4.12Å; L149-L153 HydrophobicContact CD2-CG 4.44Å; L149-L153 HydrophobicContact CG-CD1 4.22Å; L149-L153 PolarHBondContact O-N 3.38Å; L149-W169 HydrophobicContact CD1-CH2 4.23Å; L149-W169 HydrophobicContact CD1-CZ3 3.96Å; L149-F170 HydrophobicContact CB-CD2 4.49Å; L149-F170 HydrophobicContact CB-CE2 4.18Å
150H91.6Very high83Confident28 Ų2823 Ų2313%0.1314%0.141CC..Hα-helixtrans-51.7-45.7-172.1178.8-80.4000114.5L13 W146 V152 S154 F170L13-H150 HydrophobicContact CD2-CB 4.08Å; W146-H150 HydrophobicContact CD2-CB 4.42Å; W146-H150 AromaticContact CE2-CD2 3.61Å; W146-H150 HydrophobicContact CH2-CB 4.44Å; W146-H150 AromaticContact CH2-CD2 3.77Å; W146-H150 HydrophobicContact CZ2-CB 4.2Å; W146-H150 AromaticContact CZ2-CD2 3.12Å; W146-H150 WeakPolarHBondContact CZ2-CD2 3.34Å; W146-H150 AromaticContact CZ2-CG 3.8Å; W146-H150 AromaticContact CZ2-NE2 3.82Å; W146-H150 AromaticContact NE1-CD2 3.94Å; W146-H150 WeakPolarHBondContact O-CB 3.49Å; W146-H150 PolarHBondContact O-N 3.49Å; H150-V152 PolarHBondContact O-N 3.39Å; H150-V152 VanDerWaalsContact O-N 3.15Å; H150-S154 WeakPolarHBondContact O-CB 3.3Å; H150-S154 PolarHBondContact O-N 3.02Å; H150-S154 PolarHBondContact O-OG 2.86Å; H150-F170 HydrophobicContact CB-CE2 4.26Å; H150-F170 HydrophobicContact CB-CZ 4.17Å; H150-F170 AromaticContact CD2-CZ 3.98Å
151P88.3Confident81.6Confident1 Ų126 Ų261%0.00616%0.163CC..Hα-helixtrans-56.8-32.4179.4-27.238000114.3P10 L13 L98 A148 L192 M195P10-P151 HydrophobicContact CB-CG 4.37Å; L13-P151 HydrophobicContact CD2-CG 4.32Å; L98-P151 HydrophobicContact CD2-CB 4.16Å; A148-P151 WeakPolarHBondContact O-CD 3.36Å; P151-L192 HydrophobicContact CB-CD2 4.46Å; P151-L192 WeakPolarHBondContact O-CD2 3.41Å; P151-L192 WeakPolarHBondContact O-CG 3.42Å; P151-M195 HydrophobicContact CB-CE 3.32Å; P151-M195 HydrophobicContact CB-SD 3.62Å; P151-M195 HydrophobicContact CG-CE 3.16Å; P151-M195 HydrophobicContact CG-SD 4.02Å
152V87.1Confident80.5Confident4 Ų431.7 Ų31.72%0.02419%0.193CC..Hα-helixtrans-94.4-44.5-174.9-177.60000111.3L94 L98 V110 L114 L149 H150 S156L94-V152 HydrophobicContact CD2-CG2 3.97Å; L98-V152 HydrophobicContact CD2-CG2 3.64Å; L98-V152 HydrophobicContact CG-CG2 4.03Å; V110-V152 HydrophobicContact CG1-CG1 3.37Å; L114-V152 HydrophobicContact CD1-CB 4.32Å; L114-V152 HydrophobicContact CD1-CG1 3.65Å; L149-V152 PolarHBondContact O-N 3.49Å; H150-V152 PolarHBondContact O-N 3.39Å; H150-V152 VanDerWaalsContact O-N 3.15Å; V152-S156 PolarHBondContact O-N 3.14Å
153L86.1Confident80.1Confident10 Ų1031.9 Ų31.95%0.05219%0.194CC..Hα-helixtrans-77.6-22.5-175.2-62-170.9000113.6L118 L149 V155 V159 L160 F170L118-L153 HydrophobicContact CD2-CD1 4.46Å; L149-L153 HydrophobicContact CB-CD1 3.7Å; L149-L153 HydrophobicContact CB-CG 4.06Å; L149-L153 HydrophobicContact CD1-CD1 4.16Å; L149-L153 HydrophobicContact CD2-CD1 4.12Å; L149-L153 HydrophobicContact CD2-CG 4.44Å; L149-L153 HydrophobicContact CG-CD1 4.22Å; L149-L153 PolarHBondContact O-N 3.38Å; L153-V155 PolarHBondContact O-N 3.32Å; L153-V159 HydrophobicContact CD2-CB 3.87Å; L153-V159 HydrophobicContact CD2-CG1 3.32Å; L153-L160 HydrophobicContact CB-CD1 4.26Å; L153-L160 HydrophobicContact CD1-CD1 4.25Å; L153-L160 HydrophobicContact CD1-CD2 4.1Å; L153-L160 HydrophobicContact CD1-CG 4.47Å; L153-L160 HydrophobicContact CD2-CD1 4.45Å; L153-L160 HydrophobicContact CD2-CD2 4.27Å; L153-L160 HydrophobicContact CD2-CG 4.16Å; L153-F170 HydrophobicContact CB-CD2 4.43Å; L153-F170 HydrophobicContact CB-CE1 4.22Å; L153-F170 HydrophobicContact CB-CE2 3.96Å; L153-F170 HydrophobicContact CB-CZ 3.85Å; L153-F170 HydrophobicContact CD1-CD2 3.83Å; L153-F170 HydrophobicContact CD1-CE2 4.03Å; L153-F170 HydrophobicContact CD1-CG 4.32Å
154S79.9Confident79.6Confident60 Ų6040 Ų4042%0.4223%0.229SC..THydrogen-bonded Turntrans-71.7-16.9176.657.80000114.1H150H150-S154 WeakPolarHBondContact O-CB 3.3Å; H150-S154 PolarHBondContact O-N 3.02Å; H150-S154 PolarHBondContact O-OG 2.86Å
155V72Confident79.3Confident87 Ų8741.7 Ų41.753%0.52724%0.241SC..THydrogen-bonded Turntrans-112.1-22.9-174.4-171.80000112.5L153 L192L153-V155 PolarHBondContact O-N 3.32Å; V155-L192 HydrophobicContact CB-CD1 4.23Å; V155-L192 HydrophobicContact CG1-CD1 4.25Å; V155-L192 HydrophobicContact CG2-CD1 4.33Å; V155-L192 HydrophobicContact CG2-CG 4.12Å
156S61.8Low79.2Confident26 Ų2641.7 Ų41.718%0.18224%0.241CC..  trans-108.8102-173.8-166.40000112.7V152 L158 V159V152-S156 PolarHBondContact O-N 3.14Å; S156-L158 PolarHBondContact O-N 2.82Å; S156-V159 WeakPolarHBondContact OG-CG2 3.34Å
157S55.7Low78.9Confident113 Ų11346.7 Ų46.779%0.7926%0.262SS*.THydrogen-bonded Turntrans-65.6-15.8172.252.70000113.6
158L52.9Low78.6Confident121 Ų12148.7 Ų48.763%0.63428%0.279SS*.THydrogen-bonded Turntrans-84.5-17.6-177.5-79.3154.9000114.4P111 S156P111-L158 HydrophobicContact CG-CB 4.37Å; S156-L158 PolarHBondContact O-N 2.82Å
159V60.5Low78.7Confident5 Ų548.5 Ų48.53%0.0328%0.277CS..SBendtrans-85.4-19.3-173178.40000112.7V110 P111 L118 L153 S156 H163V110-V159 HydrophobicContact CG1-CG2 4.25Å; P111-V159 HydrophobicContact CB-CG2 4.1Å; P111-V159 HydrophobicContact CG-CG2 3.7Å; L118-V159 HydrophobicContact CD1-CG1 3.2Å; L153-V159 HydrophobicContact CD2-CB 3.87Å; L153-V159 HydrophobicContact CD2-CG1 3.32Å; S156-V159 WeakPolarHBondContact OG-CG2 3.34Å; V159-H163 PolarHBondContact O-ND1 2.81Å
160L64.4Low78.7Confident15 Ų1548.9 Ų48.98%0.07928%0.279CS..SBendtrans-117.37.2-170.8-68.8176.4000114.4L153 D162 H163 V166 K167L153-L160 HydrophobicContact CB-CD1 4.26Å; L153-L160 HydrophobicContact CD1-CD1 4.25Å; L153-L160 HydrophobicContact CD1-CD2 4.1Å; L153-L160 HydrophobicContact CD1-CG 4.47Å; L153-L160 HydrophobicContact CD2-CD1 4.45Å; L153-L160 HydrophobicContact CD2-CD2 4.27Å; L153-L160 HydrophobicContact CD2-CG 4.16Å; L160-D162 VanDerWaalsContact C-N 3.26Å; L160-D162 PolarHBondContact O-N 2.68Å; L160-H163 HydrophobicContact CD2-CB 4.49Å; L160-V166 HydrophobicContact CD2-CB 4.15Å; L160-V166 HydrophobicContact CD2-CG1 3.68Å; L160-K167 HydrophobicContact CB-CB 4.22Å; L160-K167 HydrophobicContact CB-CD 4.34Å; L160-K167 HydrophobicContact CB-CG 4.36Å; L160-K167 HydrophobicContact CD1-CB 4.39Å; L160-K167 HydrophobicContact CD1-CG 4.31Å
161S63.5Low78.7Confident71 Ų7151.8 Ų51.850%0.49730%0.295SS..SBendtrans-64.5-34.8177.655.40000112.2
162D70.7Confident78.9Confident119 Ų11956.2 Ų56.264%0.63631%0.312SS*.SBendtrans-96.7-11.2-173.4-57.8-14.4000112.7L160L160-D162 VanDerWaalsContact C-N 3.26Å; L160-D162 PolarHBondContact O-N 2.68Å
163H86.1Confident79.2Confident4 Ų456 Ų562%0.01931%0.311CS..  trans-115.471.6-177.3-54.296.3000112Q115 N119 D122 V159 L160 S165 V166 K167Q115-H163 PolarHBondContact NE2-CE1 3.17Å; Q115-H163 VanDerWaalsContact NE2-CE1 3.26Å; Q115-H163 PolarHBondContact NE2-NE2 3Å; N119-H163 PolarHBondContact OD1-NE2 3.2Å; D122-H163 HydrophobicContact CB-CB 4.14Å; D122-H163 VanDerWaalsContact OD1-CA 3.31Å; D122-H163 WeakPolarHBondContact OD1-CA 3.42Å; D122-H163 WeakPolarHBondContact OD1-CB 3.27Å; V159-H163 PolarHBondContact O-ND1 2.81Å; L160-H163 HydrophobicContact CD2-CB 4.49Å; H163-S165 VanDerWaalsContact C-N 3.28Å; H163-S165 PolarHBondContact O-N 2.82Å; H163-V166 HydrophobicContact CB-CB 3.91Å; H163-V166 HydrophobicContact CB-CG2 4.02Å; H163-V166 PolarHBondContact O-N 2.55Å; H163-K167 PolarHBondContact O-N 2.94Å
164K85.4Confident79.5Confident170 Ų17056.6 Ų56.674%0.73932%0.317SS*.Hα-helixtrans-60.2-35.7-175-66.3-178.7-177175.90112.9A168K164-A168 PolarHBondContact O-N 2.65Å; K164-A168 VanDerWaalsContact O-N 3.12Å
165S89.2Confident80.1Confident35 Ų3556.9 Ų56.925%0.24532%0.323CS..Hα-helixtrans-73.7-42.6-177.9-47.30000110.6D122 H163 A168 W169D122-S165 WeakPolarHBondContact OD1-CA 3.42Å; D122-S165 WeakPolarHBondContact OD1-CB 3.39Å; D122-S165 PolarHBondContact OD1-N 3.48Å; H163-S165 VanDerWaalsContact C-N 3.28Å; H163-S165 PolarHBondContact O-N 2.82Å; S165-A168 PolarHBondContact O-N 3Å; S165-W169 WeakPolarHBondContact O-CB 3.37Å; S165-W169 PolarHBondContact O-N 3.32Å
166V91.6Very high81.1Confident0 Ų054.3 Ų54.30%031%0.307CS..Hα-helixtrans-60.5-45.6173.1178.50000110.6L118 L121 D122 L125 L160 H163 A168 W169 F170L118-V166 HydrophobicContact CD2-CG1 4.18Å; L121-V166 HydrophobicContact CB-CG2 4.08Å; L121-V166 HydrophobicContact CD2-CG1 4.09Å; L121-V166 HydrophobicContact CD2-CG2 4.16Å; L121-V166 HydrophobicContact CG-CG2 3.98Å; D122-V166 VanDerWaalsContact CA-CG2 3.49Å; D122-V166 HydrophobicContact CB-CG2 3.56Å; D122-V166 PolarHBondContact OD1-N 3.46Å; L125-V166 HydrophobicContact CD1-CG2 4.13Å; L160-V166 HydrophobicContact CD2-CB 4.15Å; L160-V166 HydrophobicContact CD2-CG1 3.68Å; H163-V166 HydrophobicContact CB-CB 3.91Å; H163-V166 HydrophobicContact CB-CG2 4.02Å; H163-V166 PolarHBondContact O-N 2.55Å; V166-A168 PolarHBondContact O-N 3.43Å; V166-W169 HydrophobicContact CG1-CE3 4.32Å; V166-W169 PolarHBondContact O-N 3.19Å; V166-F170 WeakPolarHBondContact O-CB 3.43Å; V166-F170 PolarHBondContact O-N 2.95Å
167K89.2Confident82.5Confident106 Ų10663.3 Ų63.346%0.46134%0.338SS..Hα-helixtrans-58.2-51.1179.4-173.1174.8179.5177.30111.6L160 H163 W169 F170 D171L160-K167 HydrophobicContact CB-CB 4.22Å; L160-K167 HydrophobicContact CB-CD 4.34Å; L160-K167 HydrophobicContact CB-CG 4.36Å; L160-K167 HydrophobicContact CD1-CB 4.39Å; L160-K167 HydrophobicContact CD1-CG 4.31Å; H163-K167 PolarHBondContact O-N 2.94Å; K167-W169 VanDerWaalsContact C-N 3.34Å; K167-W169 PolarHBondContact O-N 3.25Å; K167-F170 PolarHBondContact O-N 3.39Å; K167-D171 VanDerWaalsContact O-CG 3.3Å; K167-D171 PolarHBondContact O-N 3.15Å
168A89.6Confident84.2Confident42 Ų4258.4 Ų58.435%0.34730%0.304SS..Hα-helixtrans-62.2-40.6-179.600000112.4K164 S165 V166 R172K164-A168 PolarHBondContact O-N 2.65Å; K164-A168 VanDerWaalsContact O-N 3.12Å; S165-A168 PolarHBondContact O-N 3Å; V166-A168 PolarHBondContact O-N 3.43Å; A168-R172 VanDerWaalsContact C-NH1 3.32Å; A168-R172 WeakPolarHBondContact O-CG 3.42Å; A168-R172 PolarHBondContact O-N 3.09Å; A168-R172 PolarHBondContact O-NH1 3.25Å; A168-R172 VanDerWaalsContact O-NH1 3.13Å
169W94.3Very high86.1Confident0 Ų052.6 Ų52.60%027%0.274CS..Hα-helixtrans-65.7-46.3174.8164.282.9000112.3L121 L125 L133 D142 L145 W146 L149 S165 V166 K167 D171 R172 V173L121-W169 HydrophobicContact CD2-CE3 4.29Å; L121-W169 HydrophobicContact CD2-CH2 4.28Å; L121-W169 HydrophobicContact CD2-CZ3 3.8Å; L125-W169 HydrophobicContact CD1-CB 3.63Å; L125-W169 HydrophobicContact CD1-CD2 3.94Å; L125-W169 HydrophobicContact CD1-CE3 4.13Å; L125-W169 HydrophobicContact CD1-CG 3.73Å; L125-W169 HydrophobicContact CD2-CB 4.01Å; L125-W169 HydrophobicContact CD2-CG 3.81Å; L125-W169 HydrophobicContact CG-CB 4.46Å; L125-W169 HydrophobicContact CG-CG 4.46Å; L133-W169 HydrophobicContact CD1-CZ2 3.87Å; L133-W169 HydrophobicContact CG-CZ2 4.41Å; D142-W169 PolarHBondContact OD1-NE1 2.81Å; L145-W169 HydrophobicContact CB-CH2 3.81Å; L145-W169 HydrophobicContact CB-CZ2 4.13Å; W146-W169 HydrophobicContact CB-CH2 4.26Å; L149-W169 HydrophobicContact CD1-CH2 4.23Å; L149-W169 HydrophobicContact CD1-CZ3 3.96Å; S165-W169 WeakPolarHBondContact O-CB 3.37Å; S165-W169 PolarHBondContact O-N 3.32Å; V166-W169 HydrophobicContact CG1-CE3 4.32Å; V166-W169 PolarHBondContact O-N 3.19Å; K167-W169 VanDerWaalsContact C-N 3.34Å; K167-W169 PolarHBondContact O-N 3.25Å; W169-D171 VanDerWaalsContact C-N 3.34Å; W169-D171 PolarHBondContact O-N 2.9Å; W169-R172 WeakPolarHBondContact O-CB 3.45Å; W169-R172 PolarHBondContact O-N 2.91Å; W169-R172 VanDerWaalsContact O-N 3.16Å; W169-V173 HydrophobicContact CD2-CG2 4.49Å; W169-V173 HydrophobicContact CZ2-CG2 4.32Å; W169-V173 WeakPolarHBondContact O-CG2 3.07Å; W169-V173 PolarHBondContact O-N 3.27Å
170F93.3Very high87.6Confident10 Ų1057.4 Ų57.44%0.04430%0.296CS..Hα-helixtrans-60.8-44.2-178.5-178.5-90.5000111.1W146 L149 H150 L153 V166 K167 R172 V173 A174W146-F170 AromaticContact CD1-CD2 3.65Å; W146-F170 AromaticContact CD1-CE2 3.56Å; W146-F170 HydrophobicContact CG-CE2 4.4Å; W146-F170 AromaticContact NE1-CE2 3.79Å; W146-F170 AromaticContact NE1-CZ 3.86Å; L149-F170 HydrophobicContact CB-CD2 4.49Å; L149-F170 HydrophobicContact CB-CE2 4.18Å; H150-F170 HydrophobicContact CB-CE2 4.26Å; H150-F170 HydrophobicContact CB-CZ 4.17Å; H150-F170 AromaticContact CD2-CZ 3.98Å; L153-F170 HydrophobicContact CB-CD2 4.43Å; L153-F170 HydrophobicContact CB-CE1 4.22Å; L153-F170 HydrophobicContact CB-CE2 3.96Å; L153-F170 HydrophobicContact CB-CZ 3.85Å; L153-F170 HydrophobicContact CD1-CD2 3.83Å; L153-F170 HydrophobicContact CD1-CE2 4.03Å; L153-F170 HydrophobicContact CD1-CG 4.32Å; V166-F170 WeakPolarHBondContact O-CB 3.43Å; V166-F170 PolarHBondContact O-N 2.95Å; K167-F170 PolarHBondContact O-N 3.39Å; F170-R172 PolarHBondContact O-N 2.86Å; F170-V173 PolarHBondContact O-N 3.49Å; F170-A174 WeakPolarHBondContact O-CB 3.38Å; F170-A174 PolarHBondContact O-N 3.22Å
171D91.3Very high88.9Confident88 Ų8858.4 Ų58.447%0.47131%0.305SS..Hα-helixtrans-63.8-38.9176.7-68.8-21.2000111.7K167 W169 A174 A175K167-D171 VanDerWaalsContact O-CG 3.3Å; K167-D171 PolarHBondContact O-N 3.15Å; W169-D171 VanDerWaalsContact C-N 3.34Å; W169-D171 PolarHBondContact O-N 2.9Å; D171-A174 PolarHBondContact O-N 3.03Å; D171-A175 PolarHBondContact O-N 3.38Å
172R92.8Very high90.3Very high94 Ų9455.1 Ų55.136%0.35528%0.281SS..Hα-helixtrans-62.5-47.9174.7-76.6-170.7-60.5-87.68.7112A131 Y132 A168 W169 F170 A174 A175A131-R172 VanDerWaalsContact O-CZ 3.3Å; A131-R172 PolarHBondContact O-NE 3.03Å; A131-R172 PolarHBondContact O-NH2 3.35Å; Y132-R172 HydrophobicContact CE1-CB 4.27Å; A168-R172 VanDerWaalsContact C-NH1 3.32Å; A168-R172 WeakPolarHBondContact O-CG 3.42Å; A168-R172 PolarHBondContact O-N 3.09Å; A168-R172 PolarHBondContact O-NH1 3.25Å; A168-R172 VanDerWaalsContact O-NH1 3.13Å; W169-R172 WeakPolarHBondContact O-CB 3.45Å; W169-R172 PolarHBondContact O-N 2.91Å; W169-R172 VanDerWaalsContact O-N 3.16Å; F170-R172 PolarHBondContact O-N 2.86Å; R172-A174 VanDerWaalsContact C-N 3.33Å; R172-A175 WeakPolarHBondContact O-CB 3.48Å; R172-A175 PolarHBondContact O-N 3.42Å
173V93.5Very high91.2Very high0 Ų050 Ų500%026%0.255CS..Hα-helixtrans-69.1-34.3179-1750000111Y132 D142 W146 W169 F170 A175 V176 C179Y132-V173 HydrophobicContact CD1-CG2 3.97Å; Y132-V173 HydrophobicContact CE1-CG2 3.97Å; D142-V173 HydrophobicContact CB-CG2 4.12Å; W146-V173 HydrophobicContact CB-CB 4.09Å; W146-V173 HydrophobicContact CB-CG1 3.48Å; W146-V173 VanDerWaalsContact CB-CG1 3.48Å; W146-V173 HydrophobicContact CD2-CG1 4.03Å; W146-V173 HydrophobicContact CG-CB 3.93Å; W146-V173 HydrophobicContact CG-CG1 3.45Å; W146-V173 VanDerWaalsContact CG-CG1 3.45Å; W169-V173 HydrophobicContact CD2-CG2 4.49Å; W169-V173 HydrophobicContact CZ2-CG2 4.32Å; W169-V173 WeakPolarHBondContact O-CG2 3.07Å; W169-V173 PolarHBondContact O-N 3.27Å; F170-V173 PolarHBondContact O-N 3.49Å; V173-A175 VanDerWaalsContact C-N 3.26Å; V173-A175 PolarHBondContact O-N 2.87Å; V173-V176 VanDerWaalsContact O-CB 3.3Å; V173-V176 WeakPolarHBondContact O-CB 3.4Å; V173-V176 WeakPolarHBondContact O-CG2 3.41Å; V173-V176 PolarHBondContact O-N 3.33Å; V173-V176 VanDerWaalsContact O-N 3.16Å; V173-C179 WeakPolarHBondContact O-CB 3.36Å
174A91.7Very high91.4Very high23 Ų2356.6 Ų56.619%0.1929%0.287CS..Hα-helixtrans-65.3-26.617400000113.2W146 F170 D171 R172 V176 Q180W146-A174 HydrophobicContact CZ2-CB 4.38Å; F170-A174 WeakPolarHBondContact O-CB 3.38Å; F170-A174 PolarHBondContact O-N 3.22Å; D171-A174 PolarHBondContact O-N 3.03Å; R172-A174 VanDerWaalsContact C-N 3.33Å; A174-V176 PolarHBondContact O-N 2.96Å; A174-Q180 WeakPolarHBondContact O-CG 3.34Å; A174-Q180 PolarHBondContact O-NE2 2.99Å
175A91.9Very high91.6Very high66 Ų6653.1 Ų53.155%0.54527%0.272SS..THydrogen-bonded Turntrans-74.2-12.5175.300000113.5D171 R172 V173 R177D171-A175 PolarHBondContact O-N 3.38Å; R172-A175 WeakPolarHBondContact O-CB 3.48Å; R172-A175 PolarHBondContact O-N 3.42Å; V173-A175 VanDerWaalsContact C-N 3.26Å; V173-A175 PolarHBondContact O-N 2.87Å; A175-R177 PolarHBondContact O-N 3.07Å
176V93.9Very high91.6Very high32 Ų3251.5 Ų51.519%0.19426%0.26CS..SBendtrans-69.7123178.8-178.20000109.7V21 V138 V173 A174 G178 C179 Q180V21-V176 HydrophobicContact CG2-CG1 3.8Å; V138-V176 HydrophobicContact CG2-CG2 3.83Å; V173-V176 VanDerWaalsContact O-CB 3.3Å; V173-V176 WeakPolarHBondContact O-CB 3.4Å; V173-V176 WeakPolarHBondContact O-CG2 3.41Å; V173-V176 PolarHBondContact O-N 3.33Å; V173-V176 VanDerWaalsContact O-N 3.16Å; A174-V176 PolarHBondContact O-N 2.96Å; V176-G178 PolarHBondContact O-N 3.36Å; V176-C179 HydrophobicContact CB-CB 4.21Å; V176-C179 WeakPolarHBondContact O-CA 3.36Å; V176-C179 VanDerWaalsContact O-CB 3.32Å; V176-C179 WeakPolarHBondContact O-CB 3.33Å; V176-C179 PolarHBondContact O-N 3.36Å; V176-Q180 PolarHBondContact O-N 2.96Å; V176-Q180 VanDerWaalsContact O-N 3.08Å
177R91.9Very high91.5Very high216 Ų21651.8 Ų51.882%0.81526%0.261SS*.Hα-helixtrans-52-37.2-175.8-164.1-176.9-159.5-175.46.9113.5A175 S181A175-R177 PolarHBondContact O-N 3.07Å; R177-S181 WeakPolarHBondContact O-CB 3.41Å; R177-S181 PolarHBondContact O-N 2.99Å
178G91.2Very high91.3Very high9 Ų950.5 Ų50.59%0.09326%0.257CS..Hα-helixtrans-66.1-41.4178.100000113.2V176 A182V176-G178 PolarHBondContact O-N 3.36Å; G178-A182 WeakPolarHBondContact O-CB 3.43Å; G178-A182 PolarHBondContact O-N 3.4Å
179C92.7Very high90.6Very high0 Ų052.1 Ų52.10%028%0.278CS..Hα-helixtrans-64.1-48.5175.1-67.10000111.2W146 V173 V176 S181 A182 A183W146-C179 HydrophobicContact CD2-CB 4.22Å; W146-C179 HydrophobicContact CE3-CB 3.87Å; W146-C179 HydrophobicContact CH2-CB 3.4Å; W146-C179 VanDerWaalsContact CH2-CB 3.4Å; W146-C179 VanDerWaalsContact CH2-O 3.25Å; W146-C179 WeakPolarHBondContact CH2-O 3.45Å; W146-C179 HydrophobicContact CZ2-CB 3.71Å; W146-C179 HydrophobicContact CZ3-CB 3.47Å; W146-C179 VanDerWaalsContact CZ3-CB 3.47Å; V173-C179 WeakPolarHBondContact O-CB 3.36Å; V176-C179 HydrophobicContact CB-CB 4.21Å; V176-C179 WeakPolarHBondContact O-CA 3.36Å; V176-C179 VanDerWaalsContact O-CB 3.32Å; V176-C179 WeakPolarHBondContact O-CB 3.33Å; V176-C179 PolarHBondContact O-N 3.36Å; C179-S181 PolarHBondContact O-N 3.04Å; C179-A182 PolarHBondContact O-N 3.37Å; C179-A183 PolarHBondContact O-N 2.88Å
180Q91.1Very high89.9Confident105 Ų10557.6 Ų57.649%0.49130%0.302SS..Hα-helixtrans-57.6-47.3177-64.6179.1-17.200112.4A174 V176 A182 A183 Q184A174-Q180 WeakPolarHBondContact O-CG 3.34Å; A174-Q180 PolarHBondContact O-NE2 2.99Å; V176-Q180 PolarHBondContact O-N 2.96Å; V176-Q180 VanDerWaalsContact O-N 3.08Å; Q180-A182 VanDerWaalsContact C-N 3.33Å; Q180-A182 PolarHBondContact O-N 3.44Å; Q180-A183 PolarHBondContact O-N 3.17Å; Q180-Q184 PolarHBondContact O-N 2.95Å
181S92.1Very high89.3Confident37 Ų3758 Ų5826%0.25931%0.309SS..Hα-helixtrans-62.9-39.9179.1-173.40000112R177 C179 K185R177-S181 WeakPolarHBondContact O-CB 3.41Å; R177-S181 PolarHBondContact O-N 2.99Å; C179-S181 PolarHBondContact O-N 3.04Å; S181-K185 WeakPolarHBondContact O-CG 3.45Å; S181-K185 PolarHBondContact O-N 3.07Å; S181-K185 VanDerWaalsContact O-N 3.11Å
182A92.9Very high88.9Confident1 Ų155.4 Ų55.41%0.00830%0.295CS..Hα-helixtrans-67.4-44.1177.700000112.1L13 L16 A17 G178 C179 Q180 Q184 K185 V186L13-A182 VanDerWaalsContact CD1-C 3.45Å; L13-A182 HydrophobicContact CD1-CB 3.86Å; L16-A182 HydrophobicContact CB-CB 3.82Å; A17-A182 HydrophobicContact CB-CB 3.82Å; A17-A182 VanDerWaalsContact N-CB 3.32Å; G178-A182 WeakPolarHBondContact O-CB 3.43Å; G178-A182 PolarHBondContact O-N 3.4Å; C179-A182 PolarHBondContact O-N 3.37Å; Q180-A182 VanDerWaalsContact C-N 3.33Å; Q180-A182 PolarHBondContact O-N 3.44Å; A182-Q184 PolarHBondContact O-N 2.9Å; A182-K185 PolarHBondContact O-N 3.5Å; A182-V186 WeakPolarHBondContact O-CG2 3.4Å; A182-V186 PolarHBondContact O-N 2.82Å
183A90.8Very high88.4Confident11 Ų1158.3 Ų58.39%0.09131%0.312CS..Hα-helixtrans-59.5-45.2176.100000111.8L13 W146 C179 Q180 K185 V186 L187L13-A183 VanDerWaalsContact CD1-CA 3.46Å; L13-A183 HydrophobicContact CD1-CB 4.11Å; L13-A183 VanDerWaalsContact CD1-N 3.33Å; W146-A183 HydrophobicContact CH2-CB 4.1Å; C179-A183 PolarHBondContact O-N 2.88Å; Q180-A183 PolarHBondContact O-N 3.17Å; A183-K185 VanDerWaalsContact C-N 3.33Å; A183-K185 PolarHBondContact O-N 2.89Å; A183-V186 PolarHBondContact O-N 2.84Å; A183-L187 VanDerWaalsContact O-CB 3.29Å; A183-L187 WeakPolarHBondContact O-CB 3.37Å; A183-L187 PolarHBondContact O-N 3.39Å
184Q89.9Confident88Confident144 Ų14459.3 Ų59.367%0.67332%0.32SS*.Hα-helixtrans-62-39.9177-170.1-179.711.900112.2Q180 A182 Q188Q180-Q184 PolarHBondContact O-N 2.95Å; A182-Q184 PolarHBondContact O-N 2.9Å; Q184-Q188 WeakPolarHBondContact O-CA 3.46Å; Q184-Q188 PolarHBondContact O-N 3.2Å
185K89.4Confident87.8Confident97 Ų9758.2 Ų58.242%0.42231%0.311SS..Hα-helixtrans-73.6-37.1-179.4-74.5-173.4178.3-155.40114F30 S181 A182 A183F30-K185 HydrophobicContact CZ-CB 4.29Å; S181-K185 WeakPolarHBondContact O-CG 3.45Å; S181-K185 PolarHBondContact O-N 3.07Å; S181-K185 VanDerWaalsContact O-N 3.11Å; A182-K185 PolarHBondContact O-N 3.5Å; A183-K185 VanDerWaalsContact C-N 3.33Å; A183-K185 PolarHBondContact O-N 2.89Å
186V89.8Confident87.6Confident0 Ų060.5 Ų60.50%031%0.309CS..Hα-helixtrans-85.1-37.8-178178.80000111.9G8 N9 C12 L13 L16 A182 A183G8-V186 PolarHBondContact N-O 2.81Å; N9-V186 WeakPolarHBondContact O-CG1 3.08Å; C12-V186 HydrophobicContact CB-CG2 4.43Å; L13-V186 HydrophobicContact CB-CB 4.34Å; L13-V186 HydrophobicContact CB-CG1 4.2Å; L13-V186 HydrophobicContact CB-CG2 4.35Å; L16-V186 HydrophobicContact CD1-CG2 3.34Å; A182-V186 WeakPolarHBondContact O-CG2 3.4Å; A182-V186 PolarHBondContact O-N 2.82Å; A183-V186 PolarHBondContact O-N 2.84Å
187L87.6Confident87.2Confident6 Ų661.6 Ų61.63%0.03132%0.318CS..Hα-helixtrans-100.2-11.6-175-51.7-179.9000113.3L13 A183 G189 K190 A194 M195L13-L187 HydrophobicContact CD2-CD1 4.36Å; A183-L187 VanDerWaalsContact O-CB 3.29Å; A183-L187 WeakPolarHBondContact O-CB 3.37Å; A183-L187 PolarHBondContact O-N 3.39Å; L187-G189 PolarHBondContact O-N 3.04Å; L187-K190 PolarHBondContact O-N 2.97Å; L187-A194 HydrophobicContact CB-CB 4.41Å; L187-A194 HydrophobicContact CD2-CB 4.36Å; L187-A194 WeakPolarHBondContact O-CB 3.32Å; L187-M195 HydrophobicContact CD2-CE 3.33Å; L187-M195 HydrophobicContact CD2-CG 4.39Å
188Q84.9Confident87Confident80 Ų8052.3 Ų52.337%0.37428%0.283SS..THydrogen-bonded Turntrans51.525.1178-60.7-178.1-17.800114.9E7 Q184 K190E7-Q188 PolarHBondContact OE1-NE2 2.92Å; E7-Q188 PolarHBondContact OE2-NE2 3.33Å; Q184-Q188 WeakPolarHBondContact O-CA 3.46Å; Q184-Q188 PolarHBondContact O-N 3.2Å; Q188-K190 PolarHBondContact O-N 2.96Å
189G75.5Confident86.9Confident76 Ų7652 Ų5278%0.78428%0.279SS*.THydrogen-bonded Turntrans72.14.5-174.100000115.2L187L187-G189 PolarHBondContact O-N 3.04Å
190K79.4Confident86.7Confident115 Ų11557.9 Ų57.950%0.531%0.307SS..  trans-90.95.1178.7-60.8171.7-178.3158.70113.4L187 Q188 L192 E193 A194L187-K190 PolarHBondContact O-N 2.97Å; Q188-K190 PolarHBondContact O-N 2.96Å; K190-L192 PolarHBondContact O-N 2.95Å; K190-E193 HydrophobicContact CB-CB 4.45Å; K190-E193 WeakPolarHBondContact O-CB 3.39Å; K190-E193 PolarHBondContact O-N 3.38Å; K190-A194 HydrophobicContact CB-CB 4.14Å
191G80.7Confident86.3Confident19 Ų1957.1 Ų57.120%0.19630%0.302CS..G310 helixtrans52.1-130.1176.700000113.4E193 A194G191-E193 VanDerWaalsContact C-N 3.26Å; G191-E193 PolarHBondContact O-N 2.97Å; G191-A194 WeakPolarHBondContact O-CB 3.35Å; G191-A194 PolarHBondContact O-N 3.35Å
192L83.3Confident85.8Confident33 Ų3358.1 Ų58.117%0.17330%0.303CS..G310 helixtrans-63.3-27.1178.1-75.4173000113.4L98 A101 V102 P151 V155 K190 A194 M195L98-L192 HydrophobicContact CD2-CD2 3.69Å; A101-L192 HydrophobicContact CB-CD1 4.04Å; V102-L192 HydrophobicContact CG2-CB 4.16Å; V102-L192 HydrophobicContact CG2-CD2 3.88Å; P151-L192 HydrophobicContact CB-CD2 4.46Å; P151-L192 WeakPolarHBondContact O-CD2 3.41Å; P151-L192 WeakPolarHBondContact O-CG 3.42Å; V155-L192 HydrophobicContact CB-CD1 4.23Å; V155-L192 HydrophobicContact CG1-CD1 4.25Å; V155-L192 HydrophobicContact CG2-CD1 4.33Å; V155-L192 HydrophobicContact CG2-CG 4.12Å; K190-L192 PolarHBondContact O-N 2.95Å; L192-A194 VanDerWaalsContact C-N 3.27Å; L192-A194 PolarHBondContact O-N 3.06Å; L192-M195 WeakPolarHBondContact O-CB 3.39Å; L192-M195 PolarHBondContact O-N 3.39Å; L192-M195 VanDerWaalsContact O-N 3.08Å
193E82.3Confident85Confident155 Ų15562.8 Ų62.872%0.72433%0.333SS*.G310 helixtrans-66.5-31.1-179.4-59.1-174.3161.700112.3K190 G191 M195 K196K190-E193 HydrophobicContact CB-CB 4.45Å; K190-E193 WeakPolarHBondContact O-CB 3.39Å; K190-E193 PolarHBondContact O-N 3.38Å; G191-E193 VanDerWaalsContact C-N 3.26Å; G191-E193 PolarHBondContact O-N 2.97Å; E193-M195 PolarHBondContact O-N 3.45Å; E193-M195 VanDerWaalsContact O-N 3.12Å; E193-K196 WeakPolarHBondContact O-CB 3.35Å; E193-K196 PolarHBondContact O-N 3.18Å
194A85.1Confident83.9Confident20 Ų2066.1 Ų66.117%0.16536%0.36CS..G310 helixtrans-57.5-26.917400000112.3G8 L187 K190 G191 L192G8-A194 WeakPolarHBondContact CA-O 3.38Å; L187-A194 HydrophobicContact CB-CB 4.41Å; L187-A194 HydrophobicContact CD2-CB 4.36Å; L187-A194 WeakPolarHBondContact O-CB 3.32Å; K190-A194 HydrophobicContact CB-CB 4.14Å; G191-A194 WeakPolarHBondContact O-CB 3.35Å; G191-A194 PolarHBondContact O-N 3.35Å; L192-A194 VanDerWaalsContact C-N 3.27Å; L192-A194 PolarHBondContact O-N 3.06Å
195M87.6Confident82.6Confident0 Ų061.6 Ų61.60%034%0.343CS..G310 helixtrans-87-7.8-174.1-56.1-156.5158.100114.1G8 P10 L98 V102 P151 L187 L192 E193 S197 Y198 M199G8-M195 WeakPolarHBondContact O-CA 3.38Å; P10-M195 HydrophobicContact CB-CE 3.98Å; P10-M195 HydrophobicContact CB-SD 4.49Å; L98-M195 HydrophobicContact CD1-SD 4.35Å; L98-M195 HydrophobicContact CD2-SD 3.85Å; V102-M195 HydrophobicContact CG1-CB 4.46Å; V102-M195 HydrophobicContact CG2-CB 4.35Å; P151-M195 HydrophobicContact CB-CE 3.32Å; P151-M195 HydrophobicContact CB-SD 3.62Å; P151-M195 HydrophobicContact CG-CE 3.16Å; P151-M195 HydrophobicContact CG-SD 4.02Å; L187-M195 HydrophobicContact CD2-CE 3.33Å; L187-M195 HydrophobicContact CD2-CG 4.39Å; L192-M195 WeakPolarHBondContact O-CB 3.39Å; L192-M195 PolarHBondContact O-N 3.39Å; L192-M195 VanDerWaalsContact O-N 3.08Å; E193-M195 PolarHBondContact O-N 3.45Å; E193-M195 VanDerWaalsContact O-N 3.12Å; M195-S197 PolarHBondContact O-N 3.48Å; M195-Y198 PolarHBondContact O-N 2.89Å; M195-Y198 VanDerWaalsContact O-N 3.16Å; M195-M199 HydrophobicContact CB-CG 4.3Å; M195-M199 WeakPolarHBondContact O-CB 3.12Å; M195-M199 WeakPolarHBondContact O-CG 3.31Å; M195-M199 PolarHBondContact O-N 3.12Å
196K87.8Confident80.5Confident115 Ų11564.7 Ų64.750%0.536%0.359SS..Hα-helixtrans-57.7-46.4-173-170175.4-177.3176.30112.5V102 E193 Y198 M199 Q200V102-K196 HydrophobicContact CG1-CB 3.99Å; V102-K196 HydrophobicContact CG1-CG 4.42Å; E193-K196 WeakPolarHBondContact O-CB 3.35Å; E193-K196 PolarHBondContact O-N 3.18Å; K196-Y198 PolarHBondContact O-N 3.36Å; K196-M199 PolarHBondContact O-N 3.34Å; K196-Q200 WeakPolarHBondContact O-CB 3.49Å; K196-Q200 VanDerWaalsContact O-CG 3.28Å; K196-Q200 WeakPolarHBondContact O-CG 3.29Å; K196-Q200 PolarHBondContact O-N 2.79Å
197S85.4Confident77.8Confident55 Ų5569.9 Ų69.939%0.38540%0.395SS..Hα-helixtrans-62.3-40.4178.7-176.80000112.6M195 K201M195-S197 PolarHBondContact O-N 3.48Å; S197-K201 WeakPolarHBondContact O-CG 3.49Å
198Y88.4Confident75.3Confident21 Ų2177.4 Ų77.48%0.08242%0.423CS..Hα-helixtrans-68.9-46.5176.7174.5-106.9000111.7G8 N9 P10 H11 M195 K196 K201 Q202G8-Y198 WeakPolarHBondContact O-CB 3.43Å; N9-Y198 HydrophobicContact CB-CD2 3.98Å; N9-Y198 HydrophobicContact CB-CE2 4.26Å; N9-Y198 HydrophobicContact CB-CG 4.28Å; P10-Y198 HydrophobicContact CG-CD1 4.18Å; P10-Y198 HydrophobicContact CG-CE1 3.71Å; H11-Y198 PolarHBondContact CD2-OH 3.09Å; M195-Y198 PolarHBondContact O-N 2.89Å; M195-Y198 VanDerWaalsContact O-N 3.16Å; K196-Y198 PolarHBondContact O-N 3.36Å; Y198-K201 PolarHBondContact O-N 3.04Å; Y198-Q202 HydrophobicContact CD1-CG 4.45Å; Y198-Q202 HydrophobicContact CE1-CG 3.97Å; Y198-Q202 HydrophobicContact CE2-CG 4.47Å; Y198-Q202 VanDerWaalsContact CE2-NE2 3.27Å; Y198-Q202 PolarHBondContact O-N 3.05Å
199M89.1Confident72.6Confident1 Ų181.1 Ų81.11%0.00545%0.446CS..Hα-helixtrans-64.9-38.6-178.5-74.2-69.2101.400113.1L95 L98 V102 L103 M195 K196 K201 Q202L95-M199 HydrophobicContact CD1-CE 3.97Å; L95-M199 HydrophobicContact CD1-SD 4.33Å; L98-M199 HydrophobicContact CB-SD 3.62Å; L98-M199 HydrophobicContact CD1-CE 4.47Å; L98-M199 HydrophobicContact CD1-SD 4.49Å; V102-M199 HydrophobicContact CB-CG 4.27Å; V102-M199 HydrophobicContact CG1-CB 4.33Å; V102-M199 HydrophobicContact CG1-CG 4.23Å; V102-M199 HydrophobicContact CG2-CG 4.48Å; L103-M199 HydrophobicContact CD1-CB 4.11Å; L103-M199 HydrophobicContact CD2-CB 3.94Å; L103-M199 HydrophobicContact CG-CB 3.97Å; M195-M199 HydrophobicContact CB-CG 4.3Å; M195-M199 WeakPolarHBondContact O-CB 3.12Å; M195-M199 WeakPolarHBondContact O-CG 3.31Å; M195-M199 PolarHBondContact O-N 3.12Å; K196-M199 PolarHBondContact O-N 3.34Å; M199-K201 PolarHBondContact O-N 2.63Å; M199-K201 VanDerWaalsContact O-N 3.1Å; M199-Q202 HydrophobicContact CE-CG 3.82Å; M199-Q202 PolarHBondContact O-N 3.18Å
200Q87.1Confident70.3Confident124 Ų12481.5 Ų81.558%0.57943%0.433SS*.THydrogen-bonded Turntrans-59.8-21.8176.1-77.2175.9-31.600113.5L103 K196L103-Q200 HydrophobicContact CD2-CG 3.71Å; K196-Q200 WeakPolarHBondContact O-CB 3.49Å; K196-Q200 VanDerWaalsContact O-CG 3.28Å; K196-Q200 WeakPolarHBondContact O-CG 3.29Å; K196-Q200 PolarHBondContact O-N 2.79Å
201K82.7Confident67.7Low90 Ų9083.2 Ų83.239%0.39144%0.443SS..THydrogen-bonded Turntrans-97.4-6.4179.8-59.1-178.6-170.3-162.10113H33 E34 S197 Y198 M199H33-K201 HydrophobicContact CB-CD 4.34Å; E34-K201 IonicContact OE1-NZ 3.32Å; E34-K201 PolarHBondContact OE1-NZ 3.11Å; S197-K201 WeakPolarHBondContact O-CG 3.49Å; Y198-K201 PolarHBondContact O-N 3.04Å; M199-K201 PolarHBondContact O-N 2.63Å; M199-K201 VanDerWaalsContact O-N 3.1Å
202Q82.5Confident65.3Low58 Ų5887.5 Ų87.527%0.27147%0.467SS..SBendtrans-84.3145174.4-63.4-48.4-56.700110.1L95 Y198 M199 A204L95-Q202 HydrophobicContact CD1-CB 4.36Å; L95-Q202 HydrophobicContact CD1-CG 4.37Å; Y198-Q202 HydrophobicContact CD1-CG 4.45Å; Y198-Q202 HydrophobicContact CE1-CG 3.97Å; Y198-Q202 HydrophobicContact CE2-CG 4.47Å; Y198-Q202 VanDerWaalsContact CE2-NE2 3.27Å; Y198-Q202 PolarHBondContact O-N 3.05Å; M199-Q202 HydrophobicContact CE-CG 3.82Å; M199-Q202 PolarHBondContact O-N 3.18Å; Q202-A204 PolarHBondContact O-N 2.98Å
203P74.9Confident62.5Low98 Ų9891.8 Ų91.864%0.63650%0.499SS*.PPolyproline II helixtrans-61.6138.4174.125.2-32.1000110
204A69.3Low60Low81 Ų8190.1 Ų90.167%0.66950%0.495SS*.PPolyproline II helixtrans-56133.7175.400000109.8Q202 Q206Q202-A204 PolarHBondContact O-N 2.98Å; A204-Q206 PolarHBondContact O-N 3.45Å; A204-Q206 VanDerWaalsContact O-N 3.1Å
205P62.6Low57.4Low49 Ų4992.8 Ų92.832%0.31852%0.524SS..PPolyproline II helixtrans-58.4120.5174.4-16.325.9000107.8H99 S207H99-P205 HydrophobicContact CB-CG 3.86Å; H99-P205 WeakPolarHBondContact CD2-CD 3.37Å; H99-P205 VanDerWaalsContact CG-CD 3.44Å; P205-S207 PolarHBondContact O-N 2.9Å
206Q44.1Very low54.4Low163 Ų16397.8 Ų97.876%0.76256%0.559SS**PPolyproline II helixtrans-58126.3170.1-72.4-179.3-17.500107.4A204 R208A204-Q206 PolarHBondContact O-N 3.45Å; A204-Q206 VanDerWaalsContact O-N 3.1Å; Q206-R208 PolarHBondContact O-N 3.5Å
207S34Very low51.8Low108 Ų10899.2 Ų99.276%0.75558%0.58SS**  trans-60.680.6165.8165.70000108.3P205P205-S207 PolarHBondContact O-N 2.9Å
208R35.2Very low48.9Very low165 Ų165100.6 Ų100.662%0.62360%0.595SS**  trans-84.9117.2152.4-71.7-177.6174.5-177.7-3.4105.4Q206 T210Q206-R208 PolarHBondContact O-N 3.5Å; R208-T210 HydrophobicContact CB-CG2 3.53Å; R208-T210 HydrophobicContact CG-CG2 4.24Å; R208-T210 PolarHBondContact O-N 2.99Å; R208-T210 PolarHBondContact O-OG1 2.71Å
209D27Very low46.2Very low157 Ų157109.1 Ų109.184%0.8464%0.635SS**  trans-64.279150.1-75.7-40.2000106.9
210T28.6Very low43.5Very low84 Ų84115.1 Ų115.152%0.51567%0.672SS.*  trans-95.6104.317728.50000108.4R208R208-T210 HydrophobicContact CB-CG2 3.53Å; R208-T210 HydrophobicContact CG-CG2 4.24Å; R208-T210 PolarHBondContact O-N 2.99Å; R208-T210 PolarHBondContact O-OG1 2.71Å
211Q25.1Very low40.7Very low151 Ų151117.1 Ų117.171%0.70669%0.687SS**  trans-56.4137141.9-78.6175-35.600108.4C213Q211-C213 PolarHBondContact O-N 2.67Å
212P28.8Very low38.5Very low109 Ų109117.9 Ų117.971%0.70869%0.692SS**  trans-74.3125.4-176.327-30.1000111.2N214P212-N214 PolarHBondContact O-N 3Å
213C24.5Very low36.4Very low124 Ų124118.6 Ų118.684%0.83872%0.715SS**  trans-72.6106.5161.9-64.10000108.7Q211Q211-C213 PolarHBondContact O-N 2.67Å
214N31.3Very low35.4Very low119 Ų119120.4 Ų120.464%0.63672%0.715SS**  trans-98.7124167.7-87.6-8.4000110.5P212P212-N214 PolarHBondContact O-N 3Å
215G29.7Very low35.5Very low76 Ų76119.9 Ų119.978%0.78470%0.696SS**  trans-102.4102.7163.400000110.1
216S23.5Very low36.1Very low105 Ų105122.1 Ų122.173%0.73472%0.718SS**SBendtrans-171.4142.2146.5-80.10000107.4A218S216-A218 PolarHBondContact O-N 3.24Å
217P33.8Very low38.2Very low146 Ų146115.5 Ų115.595%0.94869%0.689SS**  trans-77.188.4-174.131.4-31.1000109.2
218A25.5Very low41Very low84 Ų84112.7 Ų112.769%0.69467%0.669SS**  trans-128.6132.516600000107.2S216 T220S216-A218 PolarHBondContact O-N 3.24Å; A218-T220 PolarHBondContact O-N 2.91Å
219E31.3Very low43.6Very low199 Ų199111.9 Ų111.993%0.9367%0.673SS**  trans-34.2121-177-64.6170.615300112.4D221E219-D221 PolarHBondContact O-N 2.76Å; E219-D221 VanDerWaalsContact O-N 3.1Å
220T31.6Very low46.7Very low127 Ų127112.1 Ų112.178%0.77967%0.669SS**  trans-65.3106.3174.938.70000109.4A218 E222A218-T220 PolarHBondContact O-N 2.91Å; T220-E222 PolarHBondContact O-N 3.43Å
221D29.1Very low49.6Very low167 Ų167111.7 Ų111.789%0.89366%0.661SS**  trans-74.697.8157-15310.9000106.5E219 G223E219-D221 PolarHBondContact O-N 2.76Å; E219-D221 VanDerWaalsContact O-N 3.1Å; D221-G223 PolarHBondContact O-N 2.81Å
222E37Very low52.9Low105 Ų105105 Ų10549%0.49163%0.629SS.*  trans-68.194.5-179.4-74.5-174.7166.900110.3T220 E224T220-E222 PolarHBondContact O-N 3.43Å; E222-E224 PolarHBondContact O-N 2.77Å
223G37.9Very low56Low74 Ų74104.1 Ų104.176%0.76362%0.616SS**  trans-70.6113.216000000109.6D221 R225D221-G223 PolarHBondContact O-N 2.81Å; G223-R225 PolarHBondContact O-N 3.35Å
224E53.4Low59.2Low135 Ų135100.5 Ų100.563%0.63160%0.595SS**PPolyproline II helixtrans-54126.7177.1-77.1-168.6175.200111.3E222 A226 K679E222-E224 PolarHBondContact O-N 2.77Å; E224-A226 PolarHBondContact O-N 3.37Å; E224-K679 IonicContact OE2-NZ 3.04Å; E224-K679 PolarHBondContact OE2-NZ 3.16Å
225R70.8Confident62.1Low71 Ų7195.6 Ų95.627%0.26857%0.571SS.*PPolyproline II helixtrans-57.9121.9170.2178.3-179.4177.5-116.5-7.6109.1G223 V227 E231 W686G223-R225 PolarHBondContact O-N 3.35Å; R225-V227 PolarHBondContact O-N 2.97Å; R225-E231 IonicContact CZ-OE1 3.71Å; R225-E231 IonicContact NH2-OE1 3.78Å; R225-E231 PolarHBondContact NH2-OE1 3.46Å; R225-E231 IonicContact NH2-OE2 2.63Å; R225-W686 VanDerWaalsContact NH1-CB 3.27Å
226A77.1Confident65.2Low95 Ų9592.6 Ų92.679%0.78554%0.539SS*.PPolyproline II helixtrans-65.6118.7167.400000108.5E224E224-A226 PolarHBondContact O-N 3.37Å
227V88.4Confident68.5Low24 Ų2493 Ų9315%0.14553%0.532CS..  trans-104.9129.4175.8-175.10000107.3R225 E231 M232 K679 A682 V683R225-V227 PolarHBondContact O-N 2.97Å; V227-E231 WeakPolarHBondContact CA-OE2 3.5Å; V227-E231 HydrophobicContact CG1-CB 3.76Å; V227-M232 HydrophobicContact CB-CG 4.41Å; V227-M232 HydrophobicContact CG1-CG 3.6Å; V227-M232 HydrophobicContact CG1-SD 4.45Å; V227-K679 HydrophobicContact CB-CG 4.33Å; V227-K679 HydrophobicContact CG2-CG 4.16Å; V227-A682 HydrophobicContact CG1-CB 3.6Å; V227-V683 HydrophobicContact CG2-CG2 3.75Å
228S91.3Very high71.2Confident49 Ų4988.4 Ų88.434%0.34350%0.499SS..  trans-76.1157.517876.60000111.6E230 E231 M232S228-E230 PolarHBondContact O-N 3.38Å; S228-E231 PolarHBondContact N-OE2 3.01Å; S228-E231 PolarHBondContact O-N 2.81Å; S228-E231 WeakPolarHBondContact OG-CG 3.41Å; S228-E231 PolarHBondContact OG-N 3.43Å; S228-M232 VanDerWaalsContact O-CG 3.31Å; S228-M232 WeakPolarHBondContact O-CG 3.33Å; S228-M232 PolarHBondContact O-N 2.9Å; S228-M232 VanDerWaalsContact O-N 3.09Å
229E90.4Very high74.4Confident149 Ų14985 Ų8570%0.69647%0.469SS*.Hα-helixtrans-58.7-36174.3-69-175.4168.700111.9E231 M232 E233E229-E231 PolarHBondContact O-N 2.72Å; E229-M232 WeakPolarHBondContact O-CB 3.38Å; E229-M232 PolarHBondContact O-N 3.03Å; E229-E233 PolarHBondContact O-N 3.43Å
230E91.3Very high77.2Confident162 Ų16279.1 Ų79.176%0.75745%0.449SS*.Hα-helixtrans-61.8-43.5176.5-64.6170.1175.200111.9S228 M232 A234S228-E230 PolarHBondContact O-N 3.38Å; E230-M232 VanDerWaalsContact C-N 3.32Å; E230-M232 PolarHBondContact O-N 3.47Å; E230-A234 VanDerWaalsContact O-CB 3.25Å; E230-A234 WeakPolarHBondContact O-CB 3.5Å; E230-A234 PolarHBondContact O-N 3.12Å
231E90.8Very high79.7Confident74 Ų7478.7 Ų78.735%0.34644%0.437SS..Hα-helixtrans-65-37.9176-71.9179.1127.700111.8R225 V227 S228 E229 A235R225-E231 IonicContact CZ-OE1 3.71Å; R225-E231 IonicContact NH2-OE1 3.78Å; R225-E231 PolarHBondContact NH2-OE1 3.46Å; R225-E231 IonicContact NH2-OE2 2.63Å; V227-E231 WeakPolarHBondContact CA-OE2 3.5Å; V227-E231 HydrophobicContact CG1-CB 3.76Å; S228-E231 PolarHBondContact N-OE2 3.01Å; S228-E231 PolarHBondContact O-N 2.81Å; S228-E231 WeakPolarHBondContact OG-CG 3.41Å; S228-E231 PolarHBondContact OG-N 3.43Å; E229-E231 PolarHBondContact O-N 2.72Å; E231-A235 WeakPolarHBondContact O-CB 3.31Å; E231-A235 PolarHBondContact O-N 3.14Å
232M93.6Very high81.8Confident10 Ų1075.6 Ų75.65%0.04942%0.42CS..Hα-helixtrans-66.8-45.7178.5-67.8175.958.600112.2V227 S228 E229 E230 A235 A236 Q675 K678 K679 A682V227-M232 HydrophobicContact CB-CG 4.41Å; V227-M232 HydrophobicContact CG1-CG 3.6Å; V227-M232 HydrophobicContact CG1-SD 4.45Å; S228-M232 VanDerWaalsContact O-CG 3.31Å; S228-M232 WeakPolarHBondContact O-CG 3.33Å; S228-M232 PolarHBondContact O-N 2.9Å; S228-M232 VanDerWaalsContact O-N 3.09Å; E229-M232 WeakPolarHBondContact O-CB 3.38Å; E229-M232 PolarHBondContact O-N 3.03Å; E230-M232 VanDerWaalsContact C-N 3.32Å; E230-M232 PolarHBondContact O-N 3.47Å; M232-A235 PolarHBondContact O-N 2.73Å; M232-A236 WeakPolarHBondContact O-CB 3.35Å; M232-A236 PolarHBondContact O-N 3.35Å; M232-Q675 HydrophobicContact CE-CG 3.66Å; M232-Q675 WeakPolarHBondContact CE-O 3.48Å; M232-K678 HydrophobicContact CB-CB 4.04Å; M232-K678 HydrophobicContact CE-CB 3.79Å; M232-K679 HydrophobicContact CE-CB 3.82Å; M232-K679 HydrophobicContact SD-CB 4.14Å; M232-A682 HydrophobicContact CG-CB 4.48Å
233E93.1Very high83.6Confident91 Ų9172.4 Ų72.443%0.42541%0.406SS..Hα-helixtrans-68.8-38.2176.9-66.9-54.3151.400111.6E229 A235 A236 L237 K678E229-E233 PolarHBondContact O-N 3.43Å; E233-A235 VanDerWaalsContact C-N 3.34Å; E233-A235 PolarHBondContact O-N 2.92Å; E233-A236 PolarHBondContact O-N 2.91Å; E233-L237 WeakPolarHBondContact O-CB 3.46Å; E233-L237 PolarHBondContact O-N 3.24Å; E233-K678 IonicContact OE1-NZ 2.65Å; E233-K678 PolarHBondContact OE1-NZ 3.38Å; E233-K678 IonicContact OE2-NZ 2.84Å; E233-K678 PolarHBondContact OE2-NZ 2.85Å
234A92.4Very high84.7Confident49 Ų4973.7 Ų73.741%0.40540%0.396SS..Hα-helixtrans-60.8-43.4173.200000111.7E230 L237 I238E230-A234 VanDerWaalsContact O-CB 3.25Å; E230-A234 WeakPolarHBondContact O-CB 3.5Å; E230-A234 PolarHBondContact O-N 3.12Å; A234-L237 PolarHBondContact O-N 2.81Å; A234-I238 VanDerWaalsContact O-CG1 3.3Å; A234-I238 WeakPolarHBondContact O-CG1 3.47Å; A234-I238 PolarHBondContact O-N 3.27Å
235A93.1Very high84.5Confident15 Ų1572.5 Ų72.512%0.12441%0.409CS..Hα-helixtrans-64.4-42.5176.300000112.1E231 M232 E233 L237 I238 W239 L681 A682E231-A235 WeakPolarHBondContact O-CB 3.31Å; E231-A235 PolarHBondContact O-N 3.14Å; M232-A235 PolarHBondContact O-N 2.73Å; E233-A235 VanDerWaalsContact C-N 3.34Å; E233-A235 PolarHBondContact O-N 2.92Å; A235-L237 VanDerWaalsContact C-N 3.33Å; A235-L237 PolarHBondContact O-N 2.73Å; A235-I238 PolarHBondContact O-N 3.02Å; A235-W239 VanDerWaalsContact O-CB 3.31Å; A235-W239 WeakPolarHBondContact O-CB 3.45Å; A235-W239 PolarHBondContact O-N 3.37Å; A235-L681 HydrophobicContact CB-CB 4.21Å; A235-A682 HydrophobicContact CB-CB 3.75Å
236A93.4Very high83.3Confident14 Ų1472.6 Ų72.612%0.11642%0.419CS..Hα-helixtrans-64-37.217600000112.4M232 E233 W239 S240 K678M232-A236 WeakPolarHBondContact O-CB 3.35Å; M232-A236 PolarHBondContact O-N 3.35Å; E233-A236 PolarHBondContact O-N 2.91Å; A236-W239 PolarHBondContact O-N 2.92Å; A236-S240 PolarHBondContact O-N 2.89Å; A236-S240 VanDerWaalsContact O-N 3.17Å; A236-S240 PolarHBondContact O-OG 2.84Å; A236-K678 HydrophobicContact CB-CD 4.03Å; A236-K678 HydrophobicContact CB-CG 4.06Å
237L93Very high81.9Confident112 Ų11272.5 Ų72.559%0.58641%0.413SS*.Hα-helixtrans-68.2-39.4174.6-17666.1000112E233 A234 A235 S240 K241E233-L237 WeakPolarHBondContact O-CB 3.46Å; E233-L237 PolarHBondContact O-N 3.24Å; A234-L237 PolarHBondContact O-N 2.81Å; A235-L237 VanDerWaalsContact C-N 3.33Å; A235-L237 PolarHBondContact O-N 2.73Å; L237-S240 PolarHBondContact O-OG 2.87Å; L237-K241 WeakPolarHBondContact O-CG 3.49Å
238I91.3Very high80Confident51 Ų5178.9 Ų78.926%0.26244%0.441SS..Hα-helixtrans-65.9-43.7174.9-69.4165.1000110.2A234 A235 S240 K241 T786 V788A234-I238 VanDerWaalsContact O-CG1 3.3Å; A234-I238 WeakPolarHBondContact O-CG1 3.47Å; A234-I238 PolarHBondContact O-N 3.27Å; A235-I238 PolarHBondContact O-N 3.02Å; I238-S240 VanDerWaalsContact C-N 3.27Å; I238-S240 PolarHBondContact O-N 2.93Å; I238-K241 WeakPolarHBondContact O-CB 3.48Å; I238-K241 PolarHBondContact O-N 3.29Å; I238-T786 HydrophobicContact CG2-CG2 4.28Å; I238-V788 HydrophobicContact CG2-CG1 4.24Å
239W92.6Very high78.1Confident13 Ų1379 Ų795%0.04944%0.441CS..Hα-helixtrans-56.9-38.6179.1178.2-96.8000113.5A235 A236 K241 M671 L673 L681 V743 N746 F787 C789A235-W239 VanDerWaalsContact O-CB 3.31Å; A235-W239 WeakPolarHBondContact O-CB 3.45Å; A235-W239 PolarHBondContact O-N 3.37Å; A236-W239 PolarHBondContact O-N 2.92Å; W239-K241 VanDerWaalsContact C-N 3.3Å; W239-K241 PolarHBondContact O-N 3.23Å; W239-M671 HydrophobicContact CZ2-SD 3.99Å; W239-L673 HydrophobicContact CG-CD1 4.46Å; W239-L681 HydrophobicContact CB-CD1 3.94Å; W239-L681 HydrophobicContact CD2-CD1 3.83Å; W239-L681 HydrophobicContact CD2-CD2 3.87Å; W239-L681 HydrophobicContact CE3-CD1 4.25Å; W239-L681 HydrophobicContact CE3-CD2 3.52Å; W239-L681 HydrophobicContact CE3-CG 4.49Å; W239-L681 HydrophobicContact CG-CD1 3.73Å; W239-L681 HydrophobicContact CH2-CD2 3.82Å; W239-L681 HydrophobicContact CZ2-CD2 4.24Å; W239-L681 HydrophobicContact CZ3-CD2 3.54Å; W239-V743 HydrophobicContact CZ2-CG2 4.3Å; W239-N746 HydrophobicContact CH2-CB 3.29Å; W239-N746 HydrophobicContact CZ2-CB 4.06Å; W239-N746 HydrophobicContact CZ3-CB 4.02Å; W239-F787 HydrophobicContact CE3-CD1 4.12Å; W239-F787 HydrophobicContact CE3-CE1 4.04Å; W239-F787 HydrophobicContact CE3-CG 4.42Å; W239-F787 HydrophobicContact CE3-CZ 4.27Å; W239-F787 HydrophobicContact CH2-CE1 4.24Å; W239-F787 HydrophobicContact CH2-CE2 4.49Å; W239-F787 AromaticContact CH2-CZ 3.94Å; W239-F787 HydrophobicContact CH2-CZ 3.94Å; W239-F787 AromaticContact CZ3-CD1 3.91Å; W239-F787 HydrophobicContact CZ3-CD1 3.91Å; W239-F787 HydrophobicContact CZ3-CD2 4.12Å; W239-F787 AromaticContact CZ3-CE1 3.42Å; W239-F787 HydrophobicContact CZ3-CE1 3.42Å; W239-F787 VanDerWaalsContact CZ3-CE1 3.42Å; W239-F787 AromaticContact CZ3-CE2 3.65Å; W239-F787 HydrophobicContact CZ3-CE2 3.65Å; W239-F787 HydrophobicContact CZ3-CG 4.26Å; W239-F787 AromaticContact CZ3-CZ 3.29Å; W239-F787 HydrophobicContact CZ3-CZ 3.29Å; W239-C789 HydrophobicContact CD2-CB 3.85Å; W239-C789 HydrophobicContact CE3-CB 4.33Å; W239-C789 HydrophobicContact CG-CB 4.24Å; W239-C789 HydrophobicContact CZ2-CB 4.04Å; W239-C789 VanDerWaalsContact O-CB 3.24Å; W239-C789 WeakPolarHBondContact O-CB 3.48Å; W239-C789 PolarHBondContact O-N 3.31Å
240S89Confident76.4Confident74 Ų7476.4 Ų76.452%0.51745%0.445SS..THydrogen-bonded Turntrans-77.8-11.9-177.665.10000114.2A236 L237 I238A236-S240 PolarHBondContact O-N 2.89Å; A236-S240 VanDerWaalsContact O-N 3.17Å; A236-S240 PolarHBondContact O-OG 2.84Å; L237-S240 PolarHBondContact O-OG 2.87Å; I238-S240 VanDerWaalsContact C-N 3.27Å; I238-S240 PolarHBondContact O-N 2.93Å
241K85.8Confident75.2Confident119 Ų11977.1 Ų77.152%0.51745%0.448SS..SBendtrans-63.7145.8176.3-67.3177.2-177-178.90110.9L237 I238 W239L237-K241 WeakPolarHBondContact O-CG 3.49Å; I238-K241 WeakPolarHBondContact O-CB 3.48Å; I238-K241 PolarHBondContact O-N 3.29Å; W239-K241 VanDerWaalsContact C-N 3.3Å; W239-K241 PolarHBondContact O-N 3.23Å
242D72.3Confident74.5Confident101 Ų10176.7 Ų76.754%0.5445%0.445SS..PPolyproline II helixtrans-62.2149.2169-66-64.9000110.5N244 R792D242-N244 PolarHBondContact O-N 3.21Å; D242-R792 IonicContact OD1-CZ 2.98Å; D242-R792 IonicContact OD1-NH1 2.69Å; D242-R792 PolarHBondContact OD1-NH1 2.98Å; D242-R792 IonicContact OD1-NH2 2.6Å; D242-R792 PolarHBondContact OD1-NH2 2.91Å
243L74.1Confident74.1Confident38 Ų3884.2 Ų84.220%0.19948%0.48CS..PPolyproline II helixtrans-55.5125.6160.8-75168.8000106.8A245 P773 T779 V788 A790L243-A245 PolarHBondContact O-N 2.88Å; L243-P773 HydrophobicContact CD1-CB 4.24Å; L243-P773 HydrophobicContact CD1-CG 4.22Å; L243-T779 HydrophobicContact CD2-CG2 4.19Å; L243-V788 HydrophobicContact CD2-CG2 3.67Å; L243-A790 HydrophobicContact CD1-CB 4.16Å; L243-A790 HydrophobicContact CD2-CB 4.12Å
244N61.8Low74Confident102 Ų10285 Ų8555%0.54548%0.483SS..PPolyproline II helixtrans-53135.5179.1-77.5-26.2000109.1D242 C246D242-N244 PolarHBondContact O-N 3.21Å; N244-C246 HydrophobicContact CB-CB 4.42Å; N244-C246 PolarHBondContact O-N 2.73Å
245A48.2Very low74.1Confident110 Ų11085.6 Ų85.691%0.90948%0.483SS*.  trans-6819.1173.400000113.1L243 S247L243-A245 PolarHBondContact O-N 2.88Å; A245-S247 PolarHBondContact O-N 2.95Å
246C46.6Very low74.2Confident72 Ų7285.2 Ų85.249%0.48648%0.479SS..  trans-59.2134.6177.5-104.90000109.7N244N244-C246 HydrophobicContact CB-CB 4.42Å; N244-C246 PolarHBondContact O-N 2.73Å
247S47.4Very low74.3Confident93 Ų9386.4 Ų86.465%0.6548%0.483SS*.  trans-40.5141.6-176.242.70000112.2A245A245-S247 PolarHBondContact O-N 2.95Å
248H48Very low74.5Confident158 Ų15882.1 Ų82.173%0.73146%0.462SS*.SBendtrans-31.7140.3166.1-67.8-78.2000110.9A250H248-A250 PolarHBondContact O-N 3.01Å
249P52.2Low74.5Confident53 Ų5384.4 Ų84.434%0.34447%0.472SS..  trans-46.8114176.420.7-31.9000107.6E251 Q774P249-E251 PolarHBondContact O-N 2.85Å; P249-Q774 HydrophobicContact CG-CB 4.39Å
250A55.6Low74.5Confident94 Ų9491.8 Ų91.878%0.77751%0.507SS*.  trans-60.5115177.300000104.7H248 K252H248-A250 PolarHBondContact O-N 3.01Å; A250-K252 PolarHBondContact O-N 3.19Å
251E65.4Low74.5Confident176 Ų17692.1 Ų92.182%0.82252%0.522SS*.  trans-50.1133172.7-80.4-176.5158.400107.6P249 Q253P249-E251 PolarHBondContact O-N 2.85Å; E251-Q253 PolarHBondContact O-N 3.42Å
252K76.6Confident74.8Confident66 Ų6690.9 Ų90.929%0.28752%0.521SS..  trans-62.4104.6-178.2-160.5176-163.9-172.40107.8A250 H254 V256 V304 D351A250-K252 PolarHBondContact O-N 3.19Å; K252-H254 PolarHBondContact O-CD2 3Å; K252-V256 HydrophobicContact CD-CG2 4.26Å; K252-V256 HydrophobicContact CG-CG2 3.9Å; K252-V304 VanDerWaalsContact CE-O 3.25Å; K252-V304 WeakPolarHBondContact CE-O 3.42Å; K252-V304 PolarHBondContact NZ-O 3.18Å; K252-D351 WeakPolarHBondContact CD-OD1 3.34Å; K252-D351 WeakPolarHBondContact CE-OD1 3.34Å; K252-D351 IonicContact NZ-OD1 3.01Å; K252-D351 PolarHBondContact NZ-OD1 3.32Å; K252-D351 IonicContact NZ-OD2 3.2Å; K252-D351 PolarHBondContact NZ-OD2 3.37Å
253Q83.8Confident75.8Confident167 Ų16789.9 Ų89.978%0.7851%0.509SS*.PPolyproline II helixtrans-81126.1179.6-67.9-171.6-0.400109.1E251 P255 V256E251-Q253 PolarHBondContact O-N 3.42Å; Q253-P255 CarbonylContact O-C 3.53Å; Q253-V256 PolarHBondContact O-N 2.81Å
254H91.4Very high77Confident107 Ų10788.1 Ų88.150%0.49550%0.5SS..SBendtrans-98.1139.4175.2-65.3-90.9000110.1K252 D351 Y531K252-H254 PolarHBondContact O-CD2 3Å; H254-D351 IonicContact CE1-OD1 3.74Å; H254-D351 PolarHBondContact CE1-OD1 3.25Å; H254-Y531 HydrophobicContact CB-CE2 4.4Å; H254-Y531 AromaticContact ND1-CE2 3.73Å; H254-Y531 AromaticContact ND1-CZ 3.7Å; H254-Y531 PolarHBondContact ND1-OH 2.83Å
255P94.2Very high78.7Confident63 Ų6383.3 Ų83.341%0.40947%0.474SS..SBendcis-75.2140.5-2.531.7-34.5000112.6Q253 M257 Y531Q253-P255 CarbonylContact O-C 3.53Å; P255-M257 HydrophobicContact CB-SD 4.29Å; P255-M257 HydrophobicContact CG-SD 4.4Å; P255-M257 PolarHBondContact O-N 3.15Å; P255-Y531 WeakPolarHBondContact CA-OH 3.1Å; P255-Y531 HydrophobicContact CB-CD1 4.42Å; P255-Y531 HydrophobicContact CB-CE1 3.84Å; P255-Y531 HydrophobicContact CB-CE2 4.43Å
256V95.6Very high81.1Confident7 Ų778 Ų784%0.04243%0.431CS..PPolyproline II helixtrans-74118.6173.4-176.50000108.5K252 Q253 N303 L305 Y531 W538K252-V256 HydrophobicContact CD-CG2 4.26Å; K252-V256 HydrophobicContact CG-CG2 3.9Å; Q253-V256 PolarHBondContact O-N 2.81Å; V256-N303 WeakPolarHBondContact CG1-OD1 3.46Å; V256-L305 HydrophobicContact CB-CD1 4.48Å; V256-Y531 PolarHBondContact N-OH 3.47Å; V256-W538 HydrophobicContact CG1-CZ2 4.26Å; V256-W538 PolarHBondContact O-NE1 2.89Å
257M95.9Very high83.6Confident38 Ų3874.7 Ų74.719%0.18741%0.408CS..  trans-117.9147.4-175.3-63.7-53.2-61.500111.3P255 N303 T532 E534 K537P255-M257 HydrophobicContact CB-SD 4.29Å; P255-M257 HydrophobicContact CG-SD 4.4Å; P255-M257 PolarHBondContact O-N 3.15Å; M257-N303 PolarHBondContact O-ND2 2.85Å; M257-T532 HydrophobicContact SD-CG2 4.05Å; M257-E534 HydrophobicContact CE-CB 3.38Å; M257-E534 HydrophobicContact CE-CG 4.43Å; M257-E534 HydrophobicContact SD-CB 4.41Å; M257-K537 HydrophobicContact CE-CB 4.03Å; M257-K537 HydrophobicContact CE-CD 3.76Å; M257-K537 HydrophobicContact CE-CG 4.37Å
258P95.8Very high86.1Confident23 Ų2370.2 Ų70.215%0.14938%0.377CS..  trans-58139.9176.3-23.436.7000111.5N264 N303 K537 W538 V545P258-N264 WeakPolarHBondContact CA-OD1 3.47Å; P258-N264 HydrophobicContact CB-CB 4.28Å; P258-N303 WeakPolarHBondContact CA-ND2 3.33Å; P258-K537 HydrophobicContact CG-CB 4.17Å; P258-K537 WeakPolarHBondContact CG-O 3.29Å; P258-W538 HydrophobicContact CG-CD2 3.54Å; P258-W538 HydrophobicContact CG-CE3 3.91Å; P258-W538 HydrophobicContact CG-CG 3.92Å; P258-W538 HydrophobicContact CG-CH2 4.28Å; P258-W538 HydrophobicContact CG-CZ2 3.93Å; P258-W538 HydrophobicContact CG-CZ3 4.27Å; P258-V545 HydrophobicContact CG-CG2 4.29Å
259Q93.3Very high88.5Confident99 Ų9962.7 Ų62.746%0.46334%0.342SS..  trans-117.6126.3-179.7-64.8176.55.600108.9N262 N264Q259-N262 HydrophobicContact CB-CB 4.06Å; Q259-N262 PolarHBondContact O-N 2.84Å; Q259-N262 PolarHBondContact OE1-ND2 2.97Å; Q259-N264 PolarHBondContact N-OD1 3.4Å; Q259-N264 PolarHBondContact O-ND2 3.39Å; Q259-N264 PolarHBondContact O-OD1 3.32Å
260E92Very high90.6Very high168 Ų16860.4 Ų60.479%0.78533%0.328SS*.THydrogen-bonded Turntrans-65.5140.6178.8-170.5171-169.700110.9N262E260-N262 PolarHBondContact O-N 3.13Å
261G89Confident92.6Very high81 Ų8156.6 Ų56.684%0.83529%0.294SS*.THydrogen-bonded Turntrans77.7-11.9-176.100000115
262N90.8Very high94.1Very high92 Ų9249.3 Ų49.349%0.49226%0.262SS..SBendtrans-101155.9174.2-72.4-12.6000111.3Q259 E260 N264Q259-N262 HydrophobicContact CB-CB 4.06Å; Q259-N262 PolarHBondContact O-N 2.84Å; Q259-N262 PolarHBondContact OE1-ND2 2.97Å; E260-N262 PolarHBondContact O-N 3.13Å; N262-N264 PolarHBondContact O-N 3.25Å; N262-N264 PolarHBondContact O-ND2 3.49Å; N262-N264 VanDerWaalsContact O-ND2 3.12Å
263R94.9Very high94.7Very high81 Ų8149.7 Ų49.731%0.30626%0.262SS..  trans-74.9115.3172.4-169.4179.4-175.7-163.6-3.2109.5V265 W302 N303 E546 Y548R263-V265 HydrophobicContact CG-CG2 4.08Å; R263-W302 VanDerWaalsContact NH1-CE2 3.33Å; R263-W302 VanDerWaalsContact NH1-CH2 3.27Å; R263-N303 PolarHBondContact O-N 2.87Å; R263-E546 IonicContact CZ-OE2 2.82Å; R263-E546 VanDerWaalsContact CZ-OE2 3.27Å; R263-E546 IonicContact NE-OE1 3.37Å; R263-E546 PolarHBondContact NE-OE1 2.88Å; R263-E546 IonicContact NE-OE2 2.64Å; R263-E546 PolarHBondContact NE-OE2 3.25Å; R263-E546 IonicContact NH2-OE2 3.19Å; R263-E546 PolarHBondContact NH2-OE2 2.79Å; R263-Y548 PolarHBondContact NH2-OH 3.14Å; R263-Y548 VanDerWaalsContact NH2-OH 3.15Å
264N97.8Very high95Very high1 Ų141.8 Ų41.81%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-104117.2178.3-49.6-71.4000110.1P258 Q259 N262 N303 W538 Q544 V545 E546P258-N264 WeakPolarHBondContact CA-OD1 3.47Å; P258-N264 HydrophobicContact CB-CB 4.28Å; Q259-N264 PolarHBondContact N-OD1 3.4Å; Q259-N264 PolarHBondContact O-ND2 3.39Å; Q259-N264 PolarHBondContact O-OD1 3.32Å; N262-N264 PolarHBondContact O-N 3.25Å; N262-N264 PolarHBondContact O-ND2 3.49Å; N262-N264 VanDerWaalsContact O-ND2 3.12Å; N264-N303 WeakPolarHBondContact CA-O 3.3Å; N264-N303 WeakPolarHBondContact OD1-CB 3.37Å; N264-N303 PolarHBondContact OD1-ND2 3.31Å; N264-W538 HydrophobicContact CB-CH2 3.9Å; N264-W538 HydrophobicContact CB-CZ3 3.78Å; N264-Q544 WeakPolarHBondContact CB-O 3.24Å; N264-Q544 PolarHBondContact ND2-O 3.42Å; N264-Q544 VanDerWaalsContact ND2-O 3.09Å; N264-V545 HydrophobicContact CB-CG2 4.41Å; N264-E546 PolarHBondContact O-N 2.78Å
265V98.3Very high94.6Very high0 Ų037.4 Ų37.40%021%0.206CC..EExtended strand (participates in β ladder)trans-114.8114.9-175-175.40000109.1R263 I267 F293 W302 N303 V304 L305 Y548R263-V265 HydrophobicContact CG-CG2 4.08Å; V265-I267 HydrophobicContact CG1-CD1 4.24Å; V265-I267 HydrophobicContact CG1-CG1 3.83Å; V265-F293 HydrophobicContact CG1-CE1 4.37Å; V265-W302 HydrophobicContact CG2-CB 4.27Å; V265-W302 HydrophobicContact CG2-CD2 4.34Å; V265-W302 HydrophobicContact CG2-CE3 3.91Å; V265-N303 PolarHBondContact N-O 3.12Å; V265-V304 HydrophobicContact CB-CG2 4.37Å; V265-V304 WeakPolarHBondContact O-CA 3.47Å; V265-L305 PolarHBondContact O-N 3.45Å; V265-Y548 HydrophobicContact CG1-CD2 3.64Å; V265-Y548 HydrophobicContact CG1-CE2 3.89Å
266L98.8Very high94.2Very high0 Ų038.4 Ų38.40%021%0.207CC..EExtended strand (participates in β ladder)trans-96.3121.5172.4-179.358.6000108.6L305 W538 W539 V545 E546 L547 Y548L266-L305 HydrophobicContact CD1-CB 4.09Å; L266-L305 HydrophobicContact CD1-CD2 3.86Å; L266-L305 HydrophobicContact CD1-CG 3.96Å; L266-W538 HydrophobicContact CB-CE3 3.82Å; L266-W538 HydrophobicContact CB-CZ3 4.04Å; L266-W538 HydrophobicContact CD1-CD2 4.49Å; L266-W538 HydrophobicContact CD1-CE3 4.29Å; L266-W538 HydrophobicContact CD2-CB 4.25Å; L266-W538 HydrophobicContact CD2-CE3 4.44Å; L266-W538 HydrophobicContact CG-CE3 4.42Å; L266-W539 HydrophobicContact CD2-CD2 3.89Å; L266-W539 HydrophobicContact CD2-CE3 4.21Å; L266-W539 HydrophobicContact CD2-CG 4.47Å; L266-W539 HydrophobicContact CD2-CH2 4.01Å; L266-W539 HydrophobicContact CD2-CZ2 3.65Å; L266-W539 HydrophobicContact CD2-CZ3 4.28Å; L266-W539 HydrophobicContact CG-CZ2 4.3Å; L266-V545 HydrophobicContact CB-CG1 3.69Å; L266-V545 HydrophobicContact CD2-CG1 4.3Å; L266-E546 PolarHBondContact N-O 3.35Å; L266-L547 HydrophobicContact CB-CD1 4.08Å; L266-L547 HydrophobicContact CD2-CD1 3.89Å; L266-L547 HydrophobicContact CG-CD1 3.73Å; L266-L547 WeakPolarHBondContact O-CA 3.26Å; L266-L547 WeakPolarHBondContact O-CD1 3.36Å; L266-Y548 PolarHBondContact O-N 3.36Å
267I98.9Very high94.1Very high1 Ų138.6 Ų38.61%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-114.5130.3-179.6-55.9175.5000108.1V265 A290 F293 V304 L305 F306 V307 Y548 F550V265-I267 HydrophobicContact CG1-CD1 4.24Å; V265-I267 HydrophobicContact CG1-CG1 3.83Å; I267-A290 HydrophobicContact CG2-CB 4.07Å; I267-F293 HydrophobicContact CD1-CD1 3.75Å; I267-F293 HydrophobicContact CD1-CE1 4.34Å; I267-F293 HydrophobicContact CG1-CD1 4.38Å; I267-V304 HydrophobicContact CD1-CG1 3.61Å; I267-V304 HydrophobicContact CG1-CG1 4.23Å; I267-L305 PolarHBondContact N-O 2.99Å; I267-F306 HydrophobicContact CB-CB 4.27Å; I267-F306 HydrophobicContact CB-CD2 3.9Å; I267-F306 HydrophobicContact CB-CG 4.39Å; I267-F306 HydrophobicContact CG2-CD2 3.6Å; I267-F306 HydrophobicContact CG2-CE2 3.99Å; I267-F306 HydrophobicContact CG2-CG 4.34Å; I267-F306 WeakPolarHBondContact O-CA 3.34Å; I267-V307 PolarHBondContact O-N 3.25Å; I267-Y548 WeakPolarHBondContact CA-O 3.44Å; I267-F550 HydrophobicContact CG2-CD2 3.87Å; I267-F550 HydrophobicContact CG2-CE2 3.88Å
268T98.9Very high94.1Very high0 Ų036.9 Ų36.90%020%0.2CC..EExtended strand (participates in β ladder)trans-122148.8166.175.80000111V307 Y524 W539 L547 Y548 N549 F550T268-V307 WeakPolarHBondContact CA-O 3.39Å; T268-V307 HydrophobicContact CG2-CG2 3.98Å; T268-Y524 HydrophobicContact CG2-CD1 3.88Å; T268-Y524 HydrophobicContact CG2-CE1 4.46Å; T268-Y524 HydrophobicContact CG2-CG 4.03Å; T268-W539 HydrophobicContact CG2-CH2 3.83Å; T268-W539 HydrophobicContact CG2-CZ2 3.91Å; T268-L547 HydrophobicContact CG2-CD1 4.18Å; T268-Y548 PolarHBondContact N-O 3.42Å; T268-N549 PolarHBondContact OG1-ND2 3.46Å; T268-F550 PolarHBondContact O-N 3.28Å
269S98.7Very high94.1Very high0 Ų037.8 Ų37.80%020%0.203CC..EExtended strand (participates in β ladder)trans-110.5142165.2-168.50000109.1L271 C286 V287 V307 C308 Y524 F550S269-L271 PolarHBondContact O-N 3.27Å; S269-C286 WeakPolarHBondContact OG-CA 3.5Å; S269-C286 VanDerWaalsContact OG-CB 3.29Å; S269-C286 WeakPolarHBondContact OG-CB 3.48Å; S269-C286 PolarHBondContact OG-O 3.42Å; S269-V287 WeakPolarHBondContact OG-CA 3.45Å; S269-V287 PolarHBondContact OG-N 2.92Å; S269-V287 VanDerWaalsContact OG-N 3.1Å; S269-V307 PolarHBondContact N-O 3.04Å; S269-C308 PolarHBondContact O-SG 2.86Å; S269-Y524 WeakPolarHBondContact O-CE1 3.45Å; S269-F550 WeakPolarHBondContact CA-O 3.31Å
270A97.3Very high94.3Very high5 Ų533.1 Ų33.14%0.04118%0.181CC..  trans-48129.1176.700000111.4P272 C286 Y524 F550 M551 N555A270-P272 WeakPolarHBondContact O-CD 3.42Å; A270-C286 HydrophobicContact CB-CB 4.48Å; A270-Y524 WeakPolarHBondContact CA-OH 3.36Å; A270-F550 PolarHBondContact N-O 3.38Å; A270-M551 HydrophobicContact CB-CB 3.81Å; A270-N555 WeakPolarHBondContact CB-ND2 3.35Å
271L98Very high94.5Very high14 Ų1425.7 Ų25.77%0.07315%0.15CC..  trans-65.3114.4-178.2-53.9-176.7000109.3S269 Y273 G309 D311 T356 A520 Y524 I527S269-L271 PolarHBondContact O-N 3.27Å; L271-Y273 PolarHBondContact O-N 3.03Å; L271-G309 WeakPolarHBondContact CA-O 3.45Å; L271-G309 WeakPolarHBondContact CD2-O 3.48Å; L271-D311 HydrophobicContact CB-CB 3.95Å; L271-T356 HydrophobicContact CD1-CG2 3.74Å; L271-A520 WeakPolarHBondContact CD1-O 3.06Å; L271-Y524 HydrophobicContact CD1-CE1 4.35Å; L271-Y524 HydrophobicContact CD2-CD1 3.85Å; L271-Y524 HydrophobicContact CD2-CE1 3.57Å; L271-Y524 HydrophobicContact CG-CD1 4.18Å; L271-Y524 HydrophobicContact CG-CE1 3.63Å; L271-I527 HydrophobicContact CD1-CD1 4.28Å; L271-I527 HydrophobicContact CD2-CD1 3.74Å
272P95.1Very high94.9Very high22 Ų2225.1 Ų25.114%0.14313%0.127CC..  trans-63.7135.4173.526.1-39.8000111.6A270 V274 G309 T310 D311 Y343A270-P272 WeakPolarHBondContact O-CD 3.42Å; P272-V274 PolarHBondContact O-N 3.28Å; P272-G309 WeakPolarHBondContact CD-O 3.07Å; P272-T310 HydrophobicContact CG-CG2 4.47Å; P272-D311 PolarHBondContact O-N 2.87Å; P272-Y343 HydrophobicContact CG-CE2 4.14Å; P272-Y343 WeakPolarHBondContact CG-OH 3.39Å
273Y89.7Confident95.2Very high75 Ų7520.7 Ų20.729%0.29410%0.104SC..BIsolated β-bridgetrans-60121.6168.6-76.4-78.8000111L271 N275 N276 D311 W517L271-Y273 PolarHBondContact O-N 3.03Å; Y273-N275 PolarHBondContact O-N 3.23Å; Y273-N276 PolarHBondContact O-N 2.88Å; Y273-D311 HydrophobicContact CD1-CB 4.48Å; Y273-D311 WeakPolarHBondContact CE1-OD2 3.34Å; Y273-W517 HydrophobicContact CE2-CH2 4.39Å; Y273-W517 HydrophobicContact CE2-CZ2 4.36Å; Y273-W517 WeakPolarHBondContact OH-CH2 3.45Å; Y273-W517 WeakPolarHBondContact OH-CZ2 3.49Å
274V90.7Very high95.4Very high1 Ų116.9 Ų16.91%0.0069%0.089CC..THydrogen-bonded Turntrans-64.5-27.1-172.577.50000113.1P272 N276 T310 D311 E312 C332 Y335 H336P272-V274 PolarHBondContact O-N 3.28Å; V274-N276 PolarHBondContact O-N 3.47Å; V274-N276 VanDerWaalsContact O-N 3.11Å; V274-T310 HydrophobicContact CB-CG2 4.27Å; V274-T310 HydrophobicContact CG2-CG2 3.97Å; V274-D311 WeakPolarHBondContact CB-O 3.34Å; V274-D311 PolarHBondContact N-O 2.84Å; V274-E312 HydrophobicContact CB-CG 3.81Å; V274-E312 HydrophobicContact CG1-CB 4.21Å; V274-E312 HydrophobicContact CG1-CG 3.85Å; V274-E312 HydrophobicContact CG2-CG 4.06Å; V274-C332 HydrophobicContact CG1-CB 4.42Å; V274-C332 WeakPolarHBondContact CG2-O 3.4Å; V274-Y335 WeakPolarHBondContact O-CB 3.24Å; V274-Y335 VanDerWaalsContact O-CG 3.25Å; V274-H336 HydrophobicContact CG2-CB 4.46Å
275N82.6Confident95.3Very high15 Ų1517 Ų178%0.089%0.09CC..THydrogen-bonded Turntrans-76-0.6-171.369.5-51.5000113.9Y273 K320Y273-N275 PolarHBondContact O-N 3.23Å; N275-K320 HydrophobicContact CB-CB 4.14Å; N275-K320 HydrophobicContact CB-CG 4.3Å
276N85.6Confident95.3Very high83 Ų8317.7 Ų17.744%0.44410%0.095SC..SBendtrans-133.9135.4-178.2-72.3-48.3000111.8Y273 V274 H339Y273-N276 PolarHBondContact O-N 2.88Å; V274-N276 PolarHBondContact O-N 3.47Å; V274-N276 VanDerWaalsContact O-N 3.11Å; N276-H339 PolarHBondContact O-CE1 3.45Å; N276-H339 PolarHBondContact O-NE2 2.99Å
277V93.9Very high95.3Very high11 Ų1117.8 Ų17.87%0.06710%0.096CC..PPolyproline II helixtrans-65.1129.3170-176.60000108.9Y335 V338 I342 F602 D604V277-Y335 HydrophobicContact CG2-CD1 4.37Å; V277-Y335 HydrophobicContact CG2-CE1 3.76Å; V277-V338 HydrophobicContact CG2-CG1 4.44Å; V277-I342 HydrophobicContact CG1-CD1 3.84Å; V277-F602 HydrophobicContact CB-CD1 4.37Å; V277-F602 HydrophobicContact CG1-CB 4.21Å; V277-F602 HydrophobicContact CG1-CD1 4.42Å; V277-F602 WeakPolarHBondContact O-CD1 3.39Å; V277-D604 HydrophobicContact CG1-CB 4.22Å; V277-D604 WeakPolarHBondContact CG1-OD1 3.46Å
278P95.6Very high95.3Very high3 Ų317.8 Ų17.82%0.01910%0.096CC..PPolyproline II helixtrans-71.2136.4-178.629.5-33.1000110.3N282 H339 I342 Y343 G603P278-N282 WeakPolarHBondContact CA-OD1 3.28Å; P278-N282 HydrophobicContact CB-CB 4.14Å; P278-H339 VanDerWaalsContact CD-CE1 3.45Å; P278-H339 WeakPolarHBondContact CD-CE1 3.47Å; P278-I342 HydrophobicContact CG-CD1 3.89Å; P278-I342 HydrophobicContact CG-CG2 4.34Å; P278-Y343 HydrophobicContact CG-CE1 4.1Å; P278-G603 PolarHBondContact O-N 3.03Å
279H96.3Very high95.3Very high42 Ų4217.8 Ų17.819%0.19410%0.096CC..BIsolated β-bridgetrans-93.6171.6170.262.988.3000111.5G281 N282 I283 F593 F602H279-G281 WeakPolarHBondContact ND1-CA 3.41Å; H279-G281 PolarHBondContact ND1-N 2.7Å; H279-G281 VanDerWaalsContact ND1-N 3.15Å; H279-G281 PolarHBondContact O-N 2.91Å; H279-G281 VanDerWaalsContact O-N 3.08Å; H279-N282 PolarHBondContact CD2-OD1 3.24Å; H279-N282 PolarHBondContact N-OD1 2.99Å; H279-N282 PolarHBondContact NE2-ND2 3.06Å; H279-N282 PolarHBondContact NE2-OD1 3.01Å; H279-N282 PolarHBondContact O-N 3.37Å; H279-I283 PolarHBondContact O-N 3.23Å; H279-I283 VanDerWaalsContact O-N 3.16Å; H279-F593 HydrophobicContact CB-CB 4.36Å; H279-F593 HydrophobicContact CB-CD1 3.62Å; H279-F593 HydrophobicContact CB-CE1 4.07Å; H279-F593 HydrophobicContact CB-CG 4.04Å; H279-F593 AromaticContact CE1-CD2 3.61Å; H279-F593 AromaticContact CE1-CG 3.79Å; H279-F593 AromaticContact CG-CD1 3.77Å; H279-F593 AromaticContact CG-CG 3.64Å; H279-F593 AromaticContact ND1-CD1 3.62Å; H279-F593 AromaticContact ND1-CD2 3.24Å; H279-F593 WeakPolarHBondContact ND1-CD2 3.49Å; H279-F593 AromaticContact ND1-CE2 3.68Å; H279-F593 AromaticContact ND1-CG 3.22Å; H279-F593 WeakPolarHBondContact ND1-CG 3.31Å; H279-F602 HydrophobicContact CB-CD1 3.84Å; H279-F602 HydrophobicContact CB-CE1 3.88Å; H279-F602 HydrophobicContact CB-CG 4.28Å; H279-F602 HydrophobicContact CB-CZ 4.34Å
280L98.1Very high95.3Very high0 Ų017.8 Ų17.80%010%0.096CC..Hα-helixtrans-55.8-31.7-177.1-58.9-175.4000113.2I283 I284 F346 L586 F593 V601 W616 L620 F632L280-I283 HydrophobicContact CD2-CD1 4.39Å; L280-I283 PolarHBondContact O-N 3.26Å; L280-I284 WeakPolarHBondContact O-CG2 3.42Å; L280-I284 PolarHBondContact O-N 3.06Å; L280-F346 HydrophobicContact CD2-CE1 4.45Å; L280-F346 HydrophobicContact CD2-CZ 3.77Å; L280-L586 HydrophobicContact CB-CD2 4.24Å; L280-F593 HydrophobicContact CB-CE1 4.24Å; L280-F593 HydrophobicContact CB-CZ 3.98Å; L280-V601 HydrophobicContact CD1-CB 3.76Å; L280-V601 HydrophobicContact CD1-CG1 4.03Å; L280-V601 HydrophobicContact CD1-CG2 4.46Å; L280-V601 HydrophobicContact CD2-CG1 4.23Å; L280-V601 HydrophobicContact CG-CB 4.02Å; L280-V601 HydrophobicContact CG-CG1 4.14Å; L280-V601 PolarHBondContact N-O 3.26Å; L280-W616 HydrophobicContact CD1-CE3 3.8Å; L280-W616 HydrophobicContact CD1-CH2 4.45Å; L280-W616 HydrophobicContact CD1-CZ3 3.45Å; L280-W616 VanDerWaalsContact CD1-CZ3 3.45Å; L280-W616 HydrophobicContact CD2-CE3 4.39Å; L280-L620 HydrophobicContact CB-CD1 4.31Å; L280-L620 HydrophobicContact CB-CD2 4.08Å; L280-L620 HydrophobicContact CD1-CD2 4.26Å; L280-L620 HydrophobicContact CD2-CD1 4.23Å; L280-F632 HydrophobicContact CD1-CD2 4.02Å; L280-F632 HydrophobicContact CD1-CE2 4.03Å
281G96.1Very high95.4Very high13 Ų1317.5 Ų17.513%0.1349%0.094CC..Hα-helixtrans-64.3-41175.400000113.8H279 I283 G285H279-G281 WeakPolarHBondContact ND1-CA 3.41Å; H279-G281 PolarHBondContact ND1-N 2.7Å; H279-G281 VanDerWaalsContact ND1-N 3.15Å; H279-G281 PolarHBondContact O-N 2.91Å; H279-G281 VanDerWaalsContact O-N 3.08Å; G281-I283 VanDerWaalsContact C-N 3.32Å; G281-G285 PolarHBondContact O-N 2.59Å; G281-G285 VanDerWaalsContact O-N 3.14Å
282N96.1Very high95.4Very high68 Ų6816.9 Ų16.936%0.3649%0.09SC..Hα-helixtrans-66-40.4173.6-49120.8000110.7P278 H279 C286P278-N282 WeakPolarHBondContact CA-OD1 3.28Å; P278-N282 HydrophobicContact CB-CB 4.14Å; H279-N282 PolarHBondContact CD2-OD1 3.24Å; H279-N282 PolarHBondContact N-OD1 2.99Å; H279-N282 PolarHBondContact NE2-ND2 3.06Å; H279-N282 PolarHBondContact NE2-OD1 3.01Å; H279-N282 PolarHBondContact O-N 3.37Å; N282-C286 WeakPolarHBondContact O-CB 3.36Å; N282-C286 PolarHBondContact O-N 3.16Å
283I98.6Very high95.6Very high0 Ų015.8 Ų15.80%08%0.083CC..Iπ-helixtrans-63.3-53.8-178-65.4168.9000110.6H279 L280 G281 G285 C286 V287 L288 I342 Y343 F346H279-I283 PolarHBondContact O-N 3.23Å; H279-I283 VanDerWaalsContact O-N 3.16Å; L280-I283 HydrophobicContact CD2-CD1 4.39Å; L280-I283 PolarHBondContact O-N 3.26Å; G281-I283 VanDerWaalsContact C-N 3.32Å; I283-G285 PolarHBondContact O-N 2.76Å; I283-C286 PolarHBondContact O-N 2.79Å; I283-V287 HydrophobicContact CB-CG2 4.46Å; I283-V287 HydrophobicContact CG2-CG2 4.16Å; I283-V287 PolarHBondContact O-N 3.31Å; I283-L288 HydrophobicContact CG2-CB 3.82Å; I283-L288 HydrophobicContact CG2-CD2 4.32Å; I283-L288 VanDerWaalsContact O-CB 3.29Å; I283-L288 WeakPolarHBondContact O-CB 3.27Å; I283-L288 PolarHBondContact O-N 3.39Å; I283-I342 HydrophobicContact CD1-CG2 4.14Å; I283-Y343 HydrophobicContact CG1-CE1 4.34Å; I283-F346 HydrophobicContact CD1-CD2 4.01Å; I283-F346 HydrophobicContact CD1-CE1 4.5Å; I283-F346 HydrophobicContact CD1-CE2 3.65Å; I283-F346 HydrophobicContact CD1-CZ 3.92Å; I283-F346 HydrophobicContact CG2-CD1 4.24Å; I283-F346 HydrophobicContact CG2-CE1 4.42Å; I283-F346 HydrophobicContact CG2-CG 4.49Å
284I98.6Very high96Very high1 Ų112.2 Ų12.21%0.0057%0.069CC..Iπ-helixtrans-66.3-38.9-178.3-171.953.9000112.6L280 C286 L288 S289 L586 L620 L621 R624L280-I284 WeakPolarHBondContact O-CG2 3.42Å; L280-I284 PolarHBondContact O-N 3.06Å; I284-C286 VanDerWaalsContact C-N 3.28Å; I284-C286 PolarHBondContact O-N 2.89Å; I284-L288 HydrophobicContact CD1-CD2 3.95Å; I284-L288 HydrophobicContact CD1-CG 4.36Å; I284-S289 PolarHBondContact O-OG 2.89Å; I284-L586 HydrophobicContact CG2-CB 3.96Å; I284-L586 HydrophobicContact CG2-CD2 3.82Å; I284-L586 HydrophobicContact CG2-CG 4.45Å; I284-L620 HydrophobicContact CB-CB 4.28Å; I284-L620 HydrophobicContact CD1-CB 3.96Å; I284-L620 VanDerWaalsContact CD1-O 3.26Å; I284-L620 WeakPolarHBondContact CD1-O 3.18Å; I284-L620 HydrophobicContact CG1-CB 4.19Å; I284-L620 WeakPolarHBondContact CG1-O 3.42Å; I284-L621 HydrophobicContact CD1-CD2 3.77Å; I284-L621 HydrophobicContact CD1-CG 4.28Å; I284-R624 HydrophobicContact CD1-CB 4.21Å; I284-R624 HydrophobicContact CD1-CG 4.09Å; I284-R624 HydrophobicContact CG1-CB 4.4Å; I284-R624 HydrophobicContact CG1-CG 4.2Å
285G95.8Very high96.3Very high2 Ų213.6 Ų13.62%0.0217%0.074CC..Iπ-helixtrans-72.6-22.3-176.100000113.9G281 I283 M551 T583G281-G285 PolarHBondContact O-N 2.59Å; G281-G285 VanDerWaalsContact O-N 3.14Å; I283-G285 PolarHBondContact O-N 2.76Å; G285-M551 CarbonylContact O-C 3.58Å; G285-T583 WeakPolarHBondContact CA-OG1 3.38Å
286C97.9Very high97.1Very high16 Ų1612.9 Ų12.911%0.1087%0.071CC..Iπ-helixtrans-125.4-89.8-174.2-55.10000110.8S269 A270 N282 I283 I284 L288 S289 A290S269-C286 WeakPolarHBondContact OG-CA 3.5Å; S269-C286 VanDerWaalsContact OG-CB 3.29Å; S269-C286 WeakPolarHBondContact OG-CB 3.48Å; S269-C286 PolarHBondContact OG-O 3.42Å; A270-C286 HydrophobicContact CB-CB 4.48Å; N282-C286 WeakPolarHBondContact O-CB 3.36Å; N282-C286 PolarHBondContact O-N 3.16Å; I283-C286 PolarHBondContact O-N 2.79Å; I284-C286 VanDerWaalsContact C-N 3.28Å; I284-C286 PolarHBondContact O-N 2.89Å; C286-L288 PolarHBondContact O-N 3.31Å; C286-S289 PolarHBondContact O-N 3.35Å; C286-A290 PolarHBondContact O-N 2.91Å; C286-A290 VanDerWaalsContact O-N 3.1Å
287V98.7Very high97.5Very high2 Ų29 Ų91%0.0125%0.049CC..Iπ-helixtrans-67.2-37.5-162.1-61.10000113.6S269 I283 A290 D291 Y343 I348 F350S269-V287 WeakPolarHBondContact OG-CA 3.45Å; S269-V287 PolarHBondContact OG-N 2.92Å; S269-V287 VanDerWaalsContact OG-N 3.1Å; I283-V287 HydrophobicContact CB-CG2 4.46Å; I283-V287 HydrophobicContact CG2-CG2 4.16Å; I283-V287 PolarHBondContact O-N 3.31Å; V287-A290 PolarHBondContact O-N 2.63Å; V287-D291 WeakPolarHBondContact O-CB 3.4Å; V287-D291 PolarHBondContact O-N 3.18Å; V287-Y343 HydrophobicContact CG1-CE1 4.42Å; V287-Y343 HydrophobicContact CG2-CD1 3.86Å; V287-Y343 HydrophobicContact CG2-CE1 3.73Å; V287-I348 HydrophobicContact CB-CG2 4.37Å; V287-I348 HydrophobicContact CG2-CD1 4.35Å; V287-I348 HydrophobicContact CG2-CG1 4.27Å; V287-F350 HydrophobicContact CB-CZ 4.01Å; V287-F350 HydrophobicContact CG1-CE1 4.34Å; V287-F350 HydrophobicContact CG1-CZ 3.79Å
288L98.9Very high97.5Very high0 Ų011.4 Ų11.40%06%0.06CC..Hα-helixtrans-72.8-38.9179.9178.259.7000111.6I283 I284 C286 A290 D291 V292 I348 R617 L620 L621I283-L288 HydrophobicContact CG2-CB 3.82Å; I283-L288 HydrophobicContact CG2-CD2 4.32Å; I283-L288 VanDerWaalsContact O-CB 3.29Å; I283-L288 WeakPolarHBondContact O-CB 3.27Å; I283-L288 PolarHBondContact O-N 3.39Å; I284-L288 HydrophobicContact CD1-CD2 3.95Å; I284-L288 HydrophobicContact CD1-CG 4.36Å; C286-L288 PolarHBondContact O-N 3.31Å; L288-A290 VanDerWaalsContact C-N 3.34Å; L288-D291 PolarHBondContact O-N 3.17Å; L288-V292 VanDerWaalsContact O-CG2 3.31Å; L288-V292 WeakPolarHBondContact O-CG2 3.41Å; L288-V292 PolarHBondContact O-N 2.99Å; L288-I348 HydrophobicContact CB-CD1 4.21Å; L288-I348 HydrophobicContact CD1-CD1 4.09Å; L288-R617 HydrophobicContact CD1-CB 4.33Å; L288-R617 HydrophobicContact CD1-CG 3.89Å; L288-R617 VanDerWaalsContact CD1-NH1 3.33Å; L288-L620 HydrophobicContact CD2-CB 4.06Å; L288-L620 HydrophobicContact CD2-CD1 4.16Å; L288-L621 HydrophobicContact CD1-CD1 4.35Å; L288-L621 HydrophobicContact CD2-CD2 4.45Å; L288-L621 HydrophobicContact CD2-CG 4.21Å; L288-L621 HydrophobicContact CG-CD1 4.47Å; L288-L621 HydrophobicContact CG-CD2 4.14Å; L288-L621 HydrophobicContact CG-CG 4.28Å
289S98.8Very high97.3Very high0 Ų011.5 Ų11.50%06%0.061CC..Hα-helixtrans-62.5-42.8174.2-72.50000111.8I284 C286 F293 R624 I700I284-S289 PolarHBondContact O-OG 2.89Å; C286-S289 PolarHBondContact O-N 3.35Å; S289-F293 PolarHBondContact O-N 3.19Å; S289-R624 PolarHBondContact OG-NE 3.09Å; S289-R624 PolarHBondContact OG-NH2 3.21Å; S289-I700 WeakPolarHBondContact O-CD1 3.35Å
290A98.8Very high97.1Very high0 Ų011.3 Ų11.30%06%0.058CC..Hα-helixtrans-66.5-40.3178.200000112.3I267 C286 V287 L288 F293 S294 F306 F550I267-A290 HydrophobicContact CG2-CB 4.07Å; C286-A290 PolarHBondContact O-N 2.91Å; C286-A290 VanDerWaalsContact O-N 3.1Å; V287-A290 PolarHBondContact O-N 2.63Å; L288-A290 VanDerWaalsContact C-N 3.34Å; A290-F293 PolarHBondContact O-N 3.15Å; A290-S294 WeakPolarHBondContact O-CB 3.45Å; A290-S294 PolarHBondContact O-N 2.86Å; A290-F306 HydrophobicContact CB-CD2 4.45Å; A290-F306 HydrophobicContact CB-CE1 4.45Å; A290-F306 HydrophobicContact CB-CE2 3.48Å; A290-F306 VanDerWaalsContact CB-CE2 3.48Å; A290-F306 HydrophobicContact CB-CZ 3.47Å; A290-F306 VanDerWaalsContact CB-CZ 3.47Å; A290-F550 HydrophobicContact CB-CB 3.83Å; A290-F550 HydrophobicContact CB-CD1 4.29Å; A290-F550 HydrophobicContact CB-CD2 3.72Å; A290-F550 HydrophobicContact CB-CE2 4.36Å; A290-F550 HydrophobicContact CB-CG 3.69Å
291D98.9Very high96.7Very high0 Ų013.7 Ų13.70%08%0.083CC..Hα-helixtrans-59.9-46.3177.6-178.266.8000112.6V287 L288 F293 S294 R295 F306 I348 D349 R617V287-D291 WeakPolarHBondContact O-CB 3.4Å; V287-D291 PolarHBondContact O-N 3.18Å; L288-D291 PolarHBondContact O-N 3.17Å; D291-F293 VanDerWaalsContact C-N 3.29Å; D291-F293 PolarHBondContact O-N 3.2Å; D291-S294 PolarHBondContact O-N 3.01Å; D291-R295 WeakPolarHBondContact O-CB 3.47Å; D291-R295 WeakPolarHBondContact O-CG 3.35Å; D291-R295 PolarHBondContact O-N 2.93Å; D291-R295 IonicContact OD1-CZ 2.71Å; D291-R295 IonicContact OD1-NE 3.97Å; D291-R295 PolarHBondContact OD1-NE 3.46Å; D291-R295 IonicContact OD1-NH2 2.67Å; D291-R295 IonicContact OD2-NE 3.81Å; D291-R295 PolarHBondContact OD2-NE 3.31Å; D291-F306 HydrophobicContact CB-CE1 4.17Å; D291-I348 HydrophobicContact CB-CD1 3.87Å; D291-I348 HydrophobicContact CB-CG2 4.14Å; D291-D349 PolarHBondContact OD1-N 3.46Å; D291-R617 IonicContact OD2-CZ 3.43Å; D291-R617 IonicContact OD2-NH1 2.73Å; D291-R617 PolarHBondContact OD2-NH1 2.98Å; D291-R617 IonicContact OD2-NH2 2.79Å; D291-R617 PolarHBondContact OD2-NH2 2.7Å
292V98.9Very high96.6Very high0 Ų014.6 Ų14.60%08%0.082CC..Hα-helixtrans-58.1-45.3176.8178.90000110.2L288 Y296 L621 M695 I700 P757 Y758L288-V292 VanDerWaalsContact O-CG2 3.31Å; L288-V292 WeakPolarHBondContact O-CG2 3.41Å; L288-V292 PolarHBondContact O-N 2.99Å; V292-Y296 WeakPolarHBondContact O-CB 3.39Å; V292-Y296 PolarHBondContact O-N 3.29Å; V292-L621 HydrophobicContact CG2-CD1 3.51Å; V292-L621 HydrophobicContact CG2-CD2 3.68Å; V292-L621 HydrophobicContact CG2-CG 4.27Å; V292-M695 HydrophobicContact CG1-CE 3.82Å; V292-I700 HydrophobicContact CB-CD1 4.4Å; V292-I700 HydrophobicContact CB-CG2 4.47Å; V292-I700 HydrophobicContact CG1-CG1 4.43Å; V292-I700 HydrophobicContact CG1-CG2 3.96Å; V292-P757 HydrophobicContact CB-CB 4.5Å; V292-P757 HydrophobicContact CG1-CB 3.72Å; V292-P757 WeakPolarHBondContact CG2-O 3.47Å; V292-P757 WeakPolarHBondContact O-CB 3.29Å; V292-Y758 HydrophobicContact CG1-CD2 4.49Å; V292-Y758 HydrophobicContact CG1-CE1 4.27Å; V292-Y758 HydrophobicContact CG1-CE2 4.18Å
293F98.7Very high96.6Very high0 Ų012.3 Ų12.30%07%0.07CC..Hα-helixtrans-69.9-36.6179.8-169.9-111.7000112.7V265 I267 S289 A290 D291 Y296 G297 W302 Y548 F550 M695 V698V265-F293 HydrophobicContact CG1-CE1 4.37Å; I267-F293 HydrophobicContact CD1-CD1 3.75Å; I267-F293 HydrophobicContact CD1-CE1 4.34Å; I267-F293 HydrophobicContact CG1-CD1 4.38Å; S289-F293 PolarHBondContact O-N 3.19Å; A290-F293 PolarHBondContact O-N 3.15Å; D291-F293 VanDerWaalsContact C-N 3.29Å; D291-F293 PolarHBondContact O-N 3.2Å; F293-Y296 HydrophobicContact CD2-CD1 4.17Å; F293-Y296 HydrophobicContact CE2-CD1 4.13Å; F293-Y296 HydrophobicContact CE2-CE1 4.49Å; F293-Y296 PolarHBondContact O-N 2.93Å; F293-G297 PolarHBondContact O-N 3.07Å; F293-W302 HydrophobicContact CE1-CZ3 4.48Å; F293-W302 HydrophobicContact CE2-CZ3 4.19Å; F293-W302 HydrophobicContact CZ-CH2 4.43Å; F293-W302 AromaticContact CZ-CZ3 3.82Å; F293-W302 HydrophobicContact CZ-CZ3 3.82Å; F293-Y548 HydrophobicContact CD1-CD1 4.15Å; F293-Y548 HydrophobicContact CD1-CG 4.41Å; F293-Y548 AromaticContact CE1-CD1 3.46Å; F293-Y548 HydrophobicContact CE1-CD1 3.46Å; F293-Y548 VanDerWaalsContact CE1-CD1 3.46Å; F293-Y548 HydrophobicContact CE1-CD2 4.04Å; F293-Y548 AromaticContact CE1-CE1 3.51Å; F293-Y548 HydrophobicContact CE1-CE1 3.51Å; F293-Y548 HydrophobicContact CE1-CE2 4.06Å; F293-Y548 AromaticContact CE1-CG 3.75Å; F293-Y548 HydrophobicContact CE1-CG 3.75Å; F293-Y548 AromaticContact CE1-CZ 3.81Å; F293-Y548 AromaticContact CZ-CD1 3.96Å; F293-Y548 HydrophobicContact CZ-CD1 3.96Å; F293-Y548 AromaticContact CZ-CE1 3.5Å; F293-Y548 HydrophobicContact CZ-CE1 3.5Å; F293-Y548 VanDerWaalsContact CZ-CE1 3.5Å; F293-Y548 HydrophobicContact CZ-CE2 4.32Å; F293-Y548 AromaticContact CZ-CZ 3.7Å; F293-F550 HydrophobicContact CB-CE1 4.29Å; F293-F550 HydrophobicContact CB-CE2 4.19Å; F293-F550 HydrophobicContact CB-CZ 3.53Å; F293-F550 AromaticContact CD1-CE2 3.95Å; F293-F550 HydrophobicContact CD1-CE2 3.95Å; F293-F550 AromaticContact CD1-CZ 3.82Å; F293-F550 HydrophobicContact CD1-CZ 3.82Å; F293-F550 HydrophobicContact CG-CE2 4.36Å; F293-F550 AromaticContact CG-CZ 3.8Å; F293-F550 HydrophobicContact CG-CZ 3.8Å; F293-M695 WeakPolarHBondContact CE2-O 3.13Å; F293-V698 HydrophobicContact CD2-CG1 4.26Å; F293-V698 HydrophobicContact CD2-CG2 4.07Å; F293-V698 HydrophobicContact CE2-CG2 3.82Å; F293-V698 HydrophobicContact CG-CG1 4.47Å; F293-V698 HydrophobicContact CZ-CG2 4.14Å
294S98.4Very high96.5Very high0 Ų012.4 Ų12.40%07%0.07CC..Hα-helixtrans-59.6-52173.9177.10000111.4A290 D291 Y296 G297 Q298A290-S294 WeakPolarHBondContact O-CB 3.45Å; A290-S294 PolarHBondContact O-N 2.86Å; D291-S294 PolarHBondContact O-N 3.01Å; S294-Y296 VanDerWaalsContact C-N 3.32Å; S294-Y296 PolarHBondContact O-N 2.98Å; S294-G297 PolarHBondContact O-N 3.24Å; S294-G297 VanDerWaalsContact O-N 3.15Å; S294-Q298 WeakPolarHBondContact O-CG 3.47Å; S294-Q298 PolarHBondContact O-N 3.35Å; S294-Q298 PolarHBondContact OG-NE2 3.47Å
295R97.8Very high96.5Very high30 Ų3012.3 Ų12.311%0.1137%0.07CC..Hα-helixtrans-60.4-42.2177.5-68.6176.3-179.5-74.59.3111.7D291 Q298 L299 Q347 D349 P757D291-R295 WeakPolarHBondContact O-CB 3.47Å; D291-R295 WeakPolarHBondContact O-CG 3.35Å; D291-R295 PolarHBondContact O-N 2.93Å; D291-R295 IonicContact OD1-CZ 2.71Å; D291-R295 IonicContact OD1-NE 3.97Å; D291-R295 PolarHBondContact OD1-NE 3.46Å; D291-R295 IonicContact OD1-NH2 2.67Å; D291-R295 IonicContact OD2-NE 3.81Å; D291-R295 PolarHBondContact OD2-NE 3.31Å; R295-Q298 PolarHBondContact O-N 2.96Å; R295-L299 VanDerWaalsContact O-CG 3.3Å; R295-L299 WeakPolarHBondContact O-CG 3.45Å; R295-L299 PolarHBondContact O-N 3.22Å; R295-Q347 PolarHBondContact NH2-O 3.06Å; R295-D349 IonicContact NH1-OD2 3.76Å; R295-P757 HydrophobicContact CB-CB 4.05Å; R295-P757 HydrophobicContact CB-CG 4.25Å
296Y97.6Very high96.6Very high0 Ų012.2 Ų12.20%07%0.069CC..Hα-helixtrans-60.4-46.2174172.2-104.9000112V292 F293 S294 Q298 L299 R300 W302 Y691 I692 M695 D696V292-Y296 WeakPolarHBondContact O-CB 3.39Å; V292-Y296 PolarHBondContact O-N 3.29Å; F293-Y296 HydrophobicContact CD2-CD1 4.17Å; F293-Y296 HydrophobicContact CE2-CD1 4.13Å; F293-Y296 HydrophobicContact CE2-CE1 4.49Å; F293-Y296 PolarHBondContact O-N 2.93Å; S294-Y296 VanDerWaalsContact C-N 3.32Å; S294-Y296 PolarHBondContact O-N 2.98Å; Y296-Q298 VanDerWaalsContact C-N 3.3Å; Y296-Q298 PolarHBondContact O-N 2.94Å; Y296-L299 WeakPolarHBondContact O-CA 3.31Å; Y296-L299 WeakPolarHBondContact O-CB 3.42Å; Y296-L299 PolarHBondContact O-N 3.02Å; Y296-L299 VanDerWaalsContact O-N 3.07Å; Y296-R300 HydrophobicContact CD1-CG 4.25Å; Y296-R300 HydrophobicContact CD2-CG 4.33Å; Y296-R300 HydrophobicContact CE1-CG 3.8Å; Y296-R300 HydrophobicContact CE2-CG 3.86Å; Y296-R300 WeakPolarHBondContact O-CG 3.36Å; Y296-R300 PolarHBondContact O-N 3.11Å; Y296-R300 PolarHBondContact OH-NH1 2.91Å; Y296-W302 HydrophobicContact CD1-CH2 4.15Å; Y296-W302 HydrophobicContact CD1-CZ3 4.27Å; Y296-W302 AromaticContact CE1-CH2 3.65Å; Y296-W302 HydrophobicContact CE1-CH2 3.65Å; Y296-W302 HydrophobicContact CE1-CZ2 4.35Å; Y296-W302 HydrophobicContact CE1-CZ3 4.24Å; Y296-Y691 HydrophobicContact CD2-CE1 4.14Å; Y296-Y691 HydrophobicContact CE2-CE1 4.02Å; Y296-I692 WeakPolarHBondContact OH-CG2 3.47Å; Y296-I692 PolarHBondContact OH-O 3.29Å; Y296-M695 HydrophobicContact CD1-CB 3.9Å; Y296-M695 HydrophobicContact CD1-CE 4.11Å; Y296-M695 HydrophobicContact CD2-CB 3.82Å; Y296-M695 HydrophobicContact CD2-CE 4.05Å; Y296-M695 HydrophobicContact CD2-CG 4.1Å; Y296-M695 HydrophobicContact CE1-CB 3.56Å; Y296-M695 HydrophobicContact CE2-CB 3.49Å; Y296-M695 VanDerWaalsContact CE2-CB 3.49Å; Y296-M695 HydrophobicContact CE2-CG 4.08Å; Y296-M695 HydrophobicContact CG-CB 4.01Å; Y296-M695 HydrophobicContact CG-CE 3.63Å; Y296-M695 HydrophobicContact CG-CG 4.44Å; Y296-D696 VanDerWaalsContact CE1-OD1 3.28Å; Y296-D696 WeakPolarHBondContact CE1-OD1 3.36Å; Y296-D696 PolarHBondContact OH-OD1 3.21Å
297G95.6Very high96.7Very high0 Ų011.5 Ų11.50%06%0.064CC..Hα-helixtrans-60.7-38.4177.700000113.1F293 S294 R300 G301 W302F293-G297 PolarHBondContact O-N 3.07Å; S294-G297 PolarHBondContact O-N 3.24Å; S294-G297 VanDerWaalsContact O-N 3.15Å; G297-R300 PolarHBondContact O-N 3.36Å; G297-G301 PolarHBondContact O-N 3.12Å; G297-W302 WeakPolarHBondContact O-CB 3.44Å; G297-W302 PolarHBondContact O-N 3.23Å
298Q92.8Very high96.7Very high63 Ų6311.4 Ų11.429%0.2946%0.064SC..Hα-helixtrans-61.8-43.6172.4-65.217426.200111.5S294 R295 Y296 R300 G301 V304S294-Q298 WeakPolarHBondContact O-CG 3.47Å; S294-Q298 PolarHBondContact O-N 3.35Å; S294-Q298 PolarHBondContact OG-NE2 3.47Å; R295-Q298 PolarHBondContact O-N 2.96Å; Y296-Q298 VanDerWaalsContact C-N 3.3Å; Y296-Q298 PolarHBondContact O-N 2.94Å; Q298-R300 PolarHBondContact O-N 3.41Å; Q298-G301 PolarHBondContact O-N 3.45Å; Q298-V304 HydrophobicContact CG-CB 4.34Å; Q298-V304 HydrophobicContact CG-CG2 4.46Å
299L92.3Very high96.7Very high5 Ų511.4 Ų11.43%0.0266%0.064CC..Hα-helixtrans-62.6-30.7175.1-68.5172.5000113.3R295 Y296 G301 V753 L756 P757 I777 L781R295-L299 VanDerWaalsContact O-CG 3.3Å; R295-L299 WeakPolarHBondContact O-CG 3.45Å; R295-L299 PolarHBondContact O-N 3.22Å; Y296-L299 WeakPolarHBondContact O-CA 3.31Å; Y296-L299 WeakPolarHBondContact O-CB 3.42Å; Y296-L299 PolarHBondContact O-N 3.02Å; Y296-L299 VanDerWaalsContact O-N 3.07Å; L299-G301 PolarHBondContact O-N 2.91Å; L299-V753 HydrophobicContact CD2-CG1 4.37Å; L299-L756 HydrophobicContact CD1-CB 4.17Å; L299-L756 HydrophobicContact CD1-CD2 4.11Å; L299-L756 HydrophobicContact CD2-CD2 3.67Å; L299-L756 HydrophobicContact CG-CD2 4.13Å; L299-P757 HydrophobicContact CD1-CG 3.55Å; L299-I777 HydrophobicContact CD2-CG2 3.26Å; L299-L781 HydrophobicContact CB-CB 4.26Å; L299-L781 HydrophobicContact CB-CD1 3.71Å; L299-L781 HydrophobicContact CD1-CD1 3.5Å; L299-L781 VanDerWaalsContact CD1-CD1 3.5Å; L299-L781 HydrophobicContact CD2-CD1 4.37Å; L299-L781 HydrophobicContact CG-CD1 4.05Å
300R92.2Very high96.6Very high37 Ų3711.4 Ų11.414%0.146%0.064CC..THydrogen-bonded Turntrans-77.2-4.9173.7-62.7-57.9-58.2-68.85.5113.2Y296 G297 Q298 W302 D696 L781 G783Y296-R300 HydrophobicContact CD1-CG 4.25Å; Y296-R300 HydrophobicContact CD2-CG 4.33Å; Y296-R300 HydrophobicContact CE1-CG 3.8Å; Y296-R300 HydrophobicContact CE2-CG 3.86Å; Y296-R300 WeakPolarHBondContact O-CG 3.36Å; Y296-R300 PolarHBondContact O-N 3.11Å; Y296-R300 PolarHBondContact OH-NH1 2.91Å; G297-R300 PolarHBondContact O-N 3.36Å; Q298-R300 PolarHBondContact O-N 3.41Å; R300-W302 VanDerWaalsContact C-N 3.34Å; R300-W302 HydrophobicContact CB-CD2 3.87Å; R300-W302 VanDerWaalsContact CB-CE2 3.4Å; R300-W302 HydrophobicContact CB-CG 4.09Å; R300-W302 HydrophobicContact CB-CZ2 3.78Å; R300-W302 HydrophobicContact CG-CH2 4.2Å; R300-W302 HydrophobicContact CG-CZ2 3.72Å; R300-D696 IonicContact CZ-OD1 2.82Å; R300-D696 IonicContact CZ-OD2 2.65Å; R300-D696 IonicContact NH1-OD1 3.91Å; R300-D696 PolarHBondContact NH1-OD1 2.94Å; R300-D696 IonicContact NH1-OD2 3.9Å; R300-D696 PolarHBondContact NH1-OD2 3.04Å; R300-D696 IonicContact NH2-OD2 3.93Å; R300-L781 WeakPolarHBondContact CD-O 3.44Å; R300-L781 PolarHBondContact NE-O 2.62Å; R300-G783 PolarHBondContact NH2-O 2.78Å
301G89.8Confident96.6Very high51 Ų5111.6 Ų11.653%0.5267%0.065SC..THydrogen-bonded Turntrans74.721.4-176.500000113.7G297 Q298 L299G297-G301 PolarHBondContact O-N 3.12Å; Q298-G301 PolarHBondContact O-N 3.45Å; L299-G301 PolarHBondContact O-N 2.91Å
302W93.2Very high96.5Very high32 Ų3211.6 Ų11.612%0.1217%0.065CC..  trans-76.6153175-54.3-19.8000110.7R263 V265 F293 Y296 G297 R300 V304R263-W302 VanDerWaalsContact NH1-CE2 3.33Å; R263-W302 VanDerWaalsContact NH1-CH2 3.27Å; V265-W302 HydrophobicContact CG2-CB 4.27Å; V265-W302 HydrophobicContact CG2-CD2 4.34Å; V265-W302 HydrophobicContact CG2-CE3 3.91Å; F293-W302 HydrophobicContact CE1-CZ3 4.48Å; F293-W302 HydrophobicContact CE2-CZ3 4.19Å; F293-W302 HydrophobicContact CZ-CH2 4.43Å; F293-W302 AromaticContact CZ-CZ3 3.82Å; F293-W302 HydrophobicContact CZ-CZ3 3.82Å; Y296-W302 HydrophobicContact CD1-CH2 4.15Å; Y296-W302 HydrophobicContact CD1-CZ3 4.27Å; Y296-W302 AromaticContact CE1-CH2 3.65Å; Y296-W302 HydrophobicContact CE1-CH2 3.65Å; Y296-W302 HydrophobicContact CE1-CZ2 4.35Å; Y296-W302 HydrophobicContact CE1-CZ3 4.24Å; G297-W302 WeakPolarHBondContact O-CB 3.44Å; G297-W302 PolarHBondContact O-N 3.23Å; R300-W302 VanDerWaalsContact C-N 3.34Å; R300-W302 HydrophobicContact CB-CD2 3.87Å; R300-W302 VanDerWaalsContact CB-CE2 3.4Å; R300-W302 HydrophobicContact CB-CG 4.09Å; R300-W302 HydrophobicContact CB-CZ2 3.78Å; R300-W302 HydrophobicContact CG-CH2 4.2Å; R300-W302 HydrophobicContact CG-CZ2 3.72Å; W302-V304 HydrophobicContact CB-CG2 3.9Å; W302-V304 PolarHBondContact O-N 3.02Å
303N95.7Very high96.2Very high19 Ų1912.8 Ų12.810%0.1027%0.069CC..EExtended strand (participates in β ladder)trans-8299171-176.134.2000109.1V256 M257 P258 R263 N264 V265V256-N303 WeakPolarHBondContact CG1-OD1 3.46Å; M257-N303 PolarHBondContact O-ND2 2.85Å; P258-N303 WeakPolarHBondContact CA-ND2 3.33Å; R263-N303 PolarHBondContact O-N 2.87Å; N264-N303 WeakPolarHBondContact CA-O 3.3Å; N264-N303 WeakPolarHBondContact OD1-CB 3.37Å; N264-N303 PolarHBondContact OD1-ND2 3.31Å; V265-N303 PolarHBondContact N-O 3.12Å
304V97.1Very high95.7Very high2 Ų213.2 Ų13.21%0.0127%0.074CC..EExtended strand (participates in β ladder)trans-109.3123.4-170.6-177.40000111.3K252 V265 I267 Q298 W302K252-V304 VanDerWaalsContact CE-O 3.25Å; K252-V304 WeakPolarHBondContact CE-O 3.42Å; K252-V304 PolarHBondContact NZ-O 3.18Å; V265-V304 HydrophobicContact CB-CG2 4.37Å; V265-V304 WeakPolarHBondContact O-CA 3.47Å; I267-V304 HydrophobicContact CD1-CG1 3.61Å; I267-V304 HydrophobicContact CG1-CG1 4.23Å; Q298-V304 HydrophobicContact CG-CB 4.34Å; Q298-V304 HydrophobicContact CG-CG2 4.46Å; W302-V304 HydrophobicContact CB-CG2 3.9Å; W302-V304 PolarHBondContact O-N 3.02Å
305L98.6Very high95Very high0 Ų014.8 Ų14.80%08%0.084CC..EExtended strand (participates in β ladder)trans-110.2116.1165.317762.7000109.8V256 V265 L266 I267 V307 D351 T528 Y531 W538V256-L305 HydrophobicContact CB-CD1 4.48Å; V265-L305 PolarHBondContact O-N 3.45Å; L266-L305 HydrophobicContact CD1-CB 4.09Å; L266-L305 HydrophobicContact CD1-CD2 3.86Å; L266-L305 HydrophobicContact CD1-CG 3.96Å; I267-L305 PolarHBondContact N-O 2.99Å; L305-V307 HydrophobicContact CD1-CG1 3.91Å; L305-V307 HydrophobicContact CD2-CG1 4.34Å; L305-V307 HydrophobicContact CG-CG1 3.97Å; L305-D351 WeakPolarHBondContact CA-OD2 3.39Å; L305-D351 HydrophobicContact CD1-CB 3.61Å; L305-T528 HydrophobicContact CD2-CG2 3.97Å; L305-Y531 HydrophobicContact CD1-CD1 4.12Å; L305-Y531 HydrophobicContact CD1-CE1 3.52Å; L305-Y531 HydrophobicContact CD2-CD1 4.49Å; L305-Y531 HydrophobicContact CD2-CE1 4.34Å; L305-W538 HydrophobicContact CB-CD2 4.32Å; L305-W538 HydrophobicContact CB-CH2 3.97Å; L305-W538 HydrophobicContact CB-CZ2 3.62Å; L305-W538 HydrophobicContact CB-CZ3 4.46Å; L305-W538 HydrophobicContact CD2-CD2 3.92Å; L305-W538 HydrophobicContact CD2-CG 3.85Å; L305-W538 HydrophobicContact CD2-CZ2 4.38Å
306F98.8Very high94.3Very high0 Ų015.2 Ų15.20%09%0.093CC..EExtended strand (participates in β ladder)trans-112.5109.6178.2177.9-149.2000111.4I267 A290 D291 I348 D349 F350 D351I267-F306 HydrophobicContact CB-CB 4.27Å; I267-F306 HydrophobicContact CB-CD2 3.9Å; I267-F306 HydrophobicContact CB-CG 4.39Å; I267-F306 HydrophobicContact CG2-CD2 3.6Å; I267-F306 HydrophobicContact CG2-CE2 3.99Å; I267-F306 HydrophobicContact CG2-CG 4.34Å; I267-F306 WeakPolarHBondContact O-CA 3.34Å; A290-F306 HydrophobicContact CB-CD2 4.45Å; A290-F306 HydrophobicContact CB-CE1 4.45Å; A290-F306 HydrophobicContact CB-CE2 3.48Å; A290-F306 VanDerWaalsContact CB-CE2 3.48Å; A290-F306 HydrophobicContact CB-CZ 3.47Å; A290-F306 VanDerWaalsContact CB-CZ 3.47Å; D291-F306 HydrophobicContact CB-CE1 4.17Å; F306-I348 HydrophobicContact CE1-CG2 3.99Å; F306-I348 HydrophobicContact CZ-CG2 4.36Å; F306-D349 WeakPolarHBondContact CD1-O 3.35Å; F306-F350 AromaticContact CD1-CD1 3.91Å; F306-F350 HydrophobicContact CD1-CD1 3.91Å; F306-F350 HydrophobicContact CD2-CD1 4.28Å; F306-F350 AromaticContact CE1-CD1 3.47Å; F306-F350 HydrophobicContact CE1-CD1 3.47Å; F306-F350 VanDerWaalsContact CE1-CD1 3.47Å; F306-F350 AromaticContact CE1-CE1 3.7Å; F306-F350 HydrophobicContact CE1-CE1 3.7Å; F306-F350 HydrophobicContact CE1-CG 4.37Å; F306-F350 AromaticContact CE2-CD1 3.87Å; F306-F350 HydrophobicContact CE2-CD1 3.87Å; F306-F350 AromaticContact CE2-CE1 3.81Å; F306-F350 HydrophobicContact CE2-CE1 3.81Å; F306-F350 HydrophobicContact CG-CD1 4.3Å; F306-F350 AromaticContact CZ-CD1 3.45Å; F306-F350 HydrophobicContact CZ-CD1 3.45Å; F306-F350 VanDerWaalsContact CZ-CD1 3.45Å; F306-F350 AromaticContact CZ-CE1 3.27Å; F306-F350 HydrophobicContact CZ-CE1 3.27Å; F306-F350 HydrophobicContact CZ-CZ 4.39Å; F306-D351 PolarHBondContact N-OD2 3.01Å; F306-D351 WeakPolarHBondContact O-CB 3.16Å; F306-D351 PolarHBondContact O-N 2.68Å
307V98.6Very high94Very high0 Ų015.3 Ų15.30%09%0.094CC..EExtended strand (participates in β ladder)trans-120.5146.6-178.3-61.90000112.4I267 T268 S269 L305 F352 I527I267-V307 PolarHBondContact O-N 3.25Å; T268-V307 WeakPolarHBondContact CA-O 3.39Å; T268-V307 HydrophobicContact CG2-CG2 3.98Å; S269-V307 PolarHBondContact N-O 3.04Å; L305-V307 HydrophobicContact CD1-CG1 3.91Å; L305-V307 HydrophobicContact CD2-CG1 4.34Å; L305-V307 HydrophobicContact CG-CG1 3.97Å; V307-F352 WeakPolarHBondContact CA-O 3.4Å; V307-F352 HydrophobicContact CG1-CB 4.28Å; V307-I527 HydrophobicContact CB-CG2 4.15Å
308C98.8Very high93.6Very high0 Ų016.8 Ų16.80%010%0.101CC..EExtended strand (participates in β ladder)trans-153.8-176.1170.5-167.80000108.4S269 F350 F352 F353 G354 I527S269-C308 PolarHBondContact O-SG 2.86Å; C308-F350 HydrophobicContact CB-CD1 3.73Å; C308-F350 HydrophobicContact CB-CE1 3.25Å; C308-F350 HydrophobicContact CB-CZ 3.8Å; C308-F352 PolarHBondContact N-O 2.94Å; C308-F353 HydrophobicContact CB-CD2 4.03Å; C308-F353 HydrophobicContact CB-CE2 4.22Å; C308-F353 CarbonylContact O-C 3.53Å; C308-F353 VanDerWaalsContact O-CA 3.31Å; C308-F353 WeakPolarHBondContact O-CA 2.98Å; C308-G354 PolarHBondContact O-N 2.73Å; C308-I527 WeakPolarHBondContact O-CG2 3.01Å
309G98.4Very high93.3Very high0 Ų014.7 Ų14.70%09%0.092CC..EExtended strand (participates in β ladder)trans177-179.8178.100000111.1L271 P272 G354L271-G309 WeakPolarHBondContact CA-O 3.45Å; L271-G309 WeakPolarHBondContact CD2-O 3.48Å; P272-G309 WeakPolarHBondContact CD-O 3.07Å; G309-G354 CarbonylContact C-O 3.44Å; G309-G354 WeakPolarHBondContact CA-O 3.18Å
310T98.5Very high93Very high0 Ų016.7 Ų16.70%010%0.1CC..EExtended strand (participates in β ladder)trans-89.3135.2176.6350000111.7P272 V274 E312 H336 H339 F353 G354 T356P272-T310 HydrophobicContact CG-CG2 4.47Å; V274-T310 HydrophobicContact CB-CG2 4.27Å; V274-T310 HydrophobicContact CG2-CG2 3.97Å; T310-E312 WeakPolarHBondContact CB-OE1 3.48Å; T310-E312 PolarHBondContact OG1-OE1 3.38Å; T310-H336 HydrophobicContact CG2-CB 4.44Å; T310-H336 PolarHBondContact OG1-ND1 3.31Å; T310-H339 HydrophobicContact CG2-CB 4.08Å; T310-F353 HydrophobicContact CG2-CE1 4.33Å; T310-F353 HydrophobicContact CG2-CZ 4.04Å; T310-G354 PolarHBondContact N-O 3.13Å; T310-G354 VanDerWaalsContact N-O 3.14Å; T310-T356 PolarHBondContact O-N 2.72Å; T310-T356 PolarHBondContact O-OG1 2.85Å
311D97.3Very high93Very high5 Ų515 Ų153%0.0279%0.094CC..BIsolated β-bridgetrans-85.8118166-174.25000109.3L271 P272 Y273 V274 V516 A520L271-D311 HydrophobicContact CB-CB 3.95Å; P272-D311 PolarHBondContact O-N 2.87Å; Y273-D311 HydrophobicContact CD1-CB 4.48Å; Y273-D311 WeakPolarHBondContact CE1-OD2 3.34Å; V274-D311 WeakPolarHBondContact CB-O 3.34Å; V274-D311 PolarHBondContact N-O 2.84Å; D311-V516 WeakPolarHBondContact OD1-CG2 3.19Å; D311-V516 WeakPolarHBondContact OD2-CG2 3.21Å; D311-A520 WeakPolarHBondContact OD2-CB 3.39Å
312E97.3Very high92.9Very high0 Ų018 Ų180%09%0.089CC..  trans-118-15.3-161.5-71.2-176.2-156.400114.6V274 T310 T317 C332 R355 T356 T357 W500V274-E312 HydrophobicContact CB-CG 3.81Å; V274-E312 HydrophobicContact CG1-CB 4.21Å; V274-E312 HydrophobicContact CG1-CG 3.85Å; V274-E312 HydrophobicContact CG2-CG 4.06Å; T310-E312 WeakPolarHBondContact CB-OE1 3.48Å; T310-E312 PolarHBondContact OG1-OE1 3.38Å; E312-T317 WeakPolarHBondContact O-CB 3.42Å; E312-T317 WeakPolarHBondContact O-CG2 3.36Å; E312-T317 PolarHBondContact O-OG1 2.87Å; E312-C332 HydrophobicContact CB-CB 4.38Å; E312-C332 HydrophobicContact CG-CB 4.17Å; E312-C332 VanDerWaalsContact OE2-CB 3.26Å; E312-C332 WeakPolarHBondContact OE2-CB 3.42Å; E312-R355 WeakPolarHBondContact OE1-CB 3.39Å; E312-R355 WeakPolarHBondContact OE1-CG 3.43Å; E312-R355 IonicContact OE1-CZ 3.27Å; E312-R355 IonicContact OE1-NE 2.84Å; E312-R355 PolarHBondContact OE1-NE 2.56Å; E312-R355 IonicContact OE1-NH2 2.99Å; E312-R355 PolarHBondContact OE1-NH2 3.46Å; E312-R355 IonicContact OE2-CZ 3.73Å; E312-R355 IonicContact OE2-NE 3.19Å; E312-R355 PolarHBondContact OE2-NE 2.81Å; E312-R355 IonicContact OE2-NH2 2.7Å; E312-R355 PolarHBondContact OE2-NH2 3.28Å; E312-T356 PolarHBondContact N-OG1 3.32Å; E312-T356 VanDerWaalsContact N-OG1 3.08Å; E312-T357 HydrophobicContact CB-CG2 3.5Å; E312-T357 HydrophobicContact CG-CG2 4.42Å; E312-T357 WeakPolarHBondContact OE2-CG2 3.34Å; E312-T357 PolarHBondContact OE2-OG1 2.81Å; E312-W500 PolarHBondContact O-NE1 3.49Å
313Y93.9Very high92.7Very high24 Ų2423 Ų239%0.09411%0.114CC..  trans-88.9167.7-175.7-71.2-49.7000113.6T356 T357 Q361 W500 T502Y313-T356 WeakPolarHBondContact CE2-O 3.36Å; Y313-T357 HydrophobicContact CD1-CG2 4.05Å; Y313-T357 HydrophobicContact CE1-CG2 3.59Å; Y313-T357 HydrophobicContact CE2-CG2 4.41Å; Y313-Q361 HydrophobicContact CE2-CG 4.29Å; Y313-W500 AromaticContact CD1-CD1 3.88Å; Y313-W500 HydrophobicContact CD1-CD2 4.2Å; Y313-W500 AromaticContact CD1-CE2 3.94Å; Y313-W500 HydrophobicContact CD1-CG 4.19Å; Y313-W500 AromaticContact CD1-NE1 3.69Å; Y313-W500 HydrophobicContact CE1-CD2 4.36Å; Y313-W500 HydrophobicContact CE1-CZ2 4.39Å; Y313-T502 WeakPolarHBondContact CE2-OG1 3.31Å
314G87.2Confident92.6Very high9 Ų924.9 Ų24.99%0.09312%0.123CC..SBendtrans101.2172.417100000115.2A316 T317 E318 W500G314-A316 PolarHBondContact O-N 2.86Å; G314-T317 PolarHBondContact O-N 3.49Å; G314-E318 PolarHBondContact O-N 3.16Å; G314-W500 PolarHBondContact N-O 2.83Å
315T82.9Confident92.4Very high34 Ų3428.1 Ų28.121%0.20916%0.156CC..Hα-helixtrans-62.8-28.7-169.7-40.30000113.6T317 E318 N319 F399 L498T315-T317 VanDerWaalsContact C-N 3.33Å; T315-E318 PolarHBondContact O-N 3.41Å; T315-N319 VanDerWaalsContact O-CG 3.22Å; T315-N319 PolarHBondContact O-N 3.31Å; T315-N319 PolarHBondContact O-ND2 2.85Å; T315-N319 VanDerWaalsContact O-ND2 3.1Å; T315-F399 HydrophobicContact CG2-CE2 4.46Å; T315-L498 HydrophobicContact CG2-CD2 4.19Å; T315-L498 WeakPolarHBondContact OG1-CD1 3.24Å; T315-L498 WeakPolarHBondContact OG1-CD2 3.35Å
316A84.4Confident92.3Very high38 Ų3830.9 Ų30.931%0.31417%0.171SC..Hα-helixtrans-65.2-40-179.200000111.3G314 N319 K320G314-A316 PolarHBondContact O-N 2.86Å; A316-N319 PolarHBondContact O-N 3.18Å; A316-K320 WeakPolarHBondContact O-CB 3.45Å; A316-K320 PolarHBondContact O-N 3.07Å
317T90.4Very high92.2Very high2 Ų234.2 Ų34.21%0.01219%0.191CC..Hα-helixtrans-63.8-48.4174.2-560000111.3E312 G314 T315 N319 K320 A321 P328 I331 C332E312-T317 WeakPolarHBondContact O-CB 3.42Å; E312-T317 WeakPolarHBondContact O-CG2 3.36Å; E312-T317 PolarHBondContact O-OG1 2.87Å; G314-T317 PolarHBondContact O-N 3.49Å; T315-T317 VanDerWaalsContact C-N 3.33Å; T317-N319 VanDerWaalsContact C-N 3.27Å; T317-N319 PolarHBondContact O-N 3.41Å; T317-K320 PolarHBondContact O-N 3.47Å; T317-A321 VanDerWaalsContact O-CB 3.26Å; T317-A321 WeakPolarHBondContact O-CB 3.4Å; T317-A321 PolarHBondContact O-N 3.15Å; T317-P328 HydrophobicContact CG2-CB 4.28Å; T317-I331 HydrophobicContact CG2-CG2 3.78Å; T317-C332 WeakPolarHBondContact CG2-SG 3.29Å
318E87.8Confident92Very high32 Ų3235.9 Ų35.915%0.1520%0.202CC..Hα-helixtrans-59.2-37.5178.2-67.6-177167.100112.7G314 T315 R322 P328 Q499 W500G314-E318 PolarHBondContact O-N 3.16Å; T315-E318 PolarHBondContact O-N 3.41Å; E318-R322 WeakPolarHBondContact O-CB 3.37Å; E318-R322 PolarHBondContact O-N 3.26Å; E318-R322 VanDerWaalsContact O-N 3.13Å; E318-P328 HydrophobicContact CG-CG 4.38Å; E318-Q499 PolarHBondContact OE1-N 2.89Å; E318-W500 HydrophobicContact CG-CB 3.57Å; E318-W500 HydrophobicContact CG-CG 4.41Å; E318-W500 WeakPolarHBondContact OE1-CB 3.27Å; E318-W500 PolarHBondContact OE1-N 2.84Å
319N85.3Confident92Very high19 Ų1939.2 Ų39.210%0.10222%0.217CC..Hα-helixtrans-69.7-46.6177.1-69.8-31000111.7T315 A316 T317 A321 R322 E323 F399T315-N319 VanDerWaalsContact O-CG 3.22Å; T315-N319 PolarHBondContact O-N 3.31Å; T315-N319 PolarHBondContact O-ND2 2.85Å; T315-N319 VanDerWaalsContact O-ND2 3.1Å; A316-N319 PolarHBondContact O-N 3.18Å; T317-N319 VanDerWaalsContact C-N 3.27Å; T317-N319 PolarHBondContact O-N 3.41Å; N319-A321 VanDerWaalsContact C-N 3.31Å; N319-A321 PolarHBondContact O-N 3.18Å; N319-R322 WeakPolarHBondContact O-CB 3.41Å; N319-R322 PolarHBondContact O-N 3.5Å; N319-R322 PolarHBondContact OD1-NH1 2.67Å; N319-R322 PolarHBondContact OD1-NH2 3.43Å; N319-E323 WeakPolarHBondContact O-CG 3.4Å; N319-E323 PolarHBondContact O-N 2.96Å; N319-F399 WeakPolarHBondContact ND2-CZ 3.45Å; N319-F399 WeakPolarHBondContact OD1-CZ 3.49Å
320K87.9Confident91.9Very high47 Ų4744 Ų4420%0.20424%0.24CC..Hα-helixtrans-63.6-39.8179.1-166.978.3-150.6147.70111.3N275 A316 T317 R322 E323 E324 I331N275-K320 HydrophobicContact CB-CB 4.14Å; N275-K320 HydrophobicContact CB-CG 4.3Å; A316-K320 WeakPolarHBondContact O-CB 3.45Å; A316-K320 PolarHBondContact O-N 3.07Å; T317-K320 PolarHBondContact O-N 3.47Å; K320-R322 VanDerWaalsContact C-N 3.33Å; K320-R322 PolarHBondContact O-N 3Å; K320-E323 IonicContact NZ-OE2 3.77Å; K320-E323 PolarHBondContact NZ-OE2 3.18Å; K320-E323 PolarHBondContact O-N 3.5Å; K320-E324 WeakPolarHBondContact CE-OE1 3.21Å; K320-E324 IonicContact NZ-OE1 3.98Å; K320-E324 PolarHBondContact O-N 3.12Å; K320-I331 VanDerWaalsContact C-CD1 3.43Å; K320-I331 HydrophobicContact CB-CD1 3.7Å; K320-I331 HydrophobicContact CG-CD1 3.24Å; K320-I331 HydrophobicContact CG-CG1 4.5Å
321A91Very high91.9Very high2 Ų244 Ų442%0.01724%0.24CC..Hα-helixtrans-56.7-47.8173.200000110.9T317 N319 E324 G325 L326 P328 I331T317-A321 VanDerWaalsContact O-CB 3.26Å; T317-A321 WeakPolarHBondContact O-CB 3.4Å; T317-A321 PolarHBondContact O-N 3.15Å; N319-A321 VanDerWaalsContact C-N 3.31Å; N319-A321 PolarHBondContact O-N 3.18Å; A321-E324 CarbonylContact O-C 3.57Å; A321-E324 PolarHBondContact O-N 2.86Å; A321-G325 PolarHBondContact O-N 2.96Å; A321-L326 CarbonylContact C-O 3.56Å; A321-L326 WeakPolarHBondContact CB-O 3.33Å; A321-L326 PolarHBondContact O-N 2.74Å; A321-L326 VanDerWaalsContact O-O 3.11Å; A321-P328 HydrophobicContact CB-CG 4.36Å; A321-I331 HydrophobicContact CB-CB 4.4Å; A321-I331 HydrophobicContact CB-CG2 3.72Å
322R87.8Confident91.9Very high112 Ų11243.8 Ų43.842%0.42324%0.239SC..Hα-helixtrans-63.3-43.1177.2-163.3-171.5-43.2125.919.6113E318 N319 K320 E324 G325 R393E318-R322 WeakPolarHBondContact O-CB 3.37Å; E318-R322 PolarHBondContact O-N 3.26Å; E318-R322 VanDerWaalsContact O-N 3.13Å; N319-R322 WeakPolarHBondContact O-CB 3.41Å; N319-R322 PolarHBondContact O-N 3.5Å; N319-R322 PolarHBondContact OD1-NH1 2.67Å; N319-R322 PolarHBondContact OD1-NH2 3.43Å; K320-R322 VanDerWaalsContact C-N 3.33Å; K320-R322 PolarHBondContact O-N 3Å; R322-E324 VanDerWaalsContact C-N 3.26Å; R322-E324 PolarHBondContact O-N 3.19Å; R322-G325 PolarHBondContact O-N 2.85Å; R322-R393 VanDerWaalsContact NH2-NH1 3.12Å
323E88.9Confident91.9Very high138 Ų13846.9 Ų46.965%0.64526%0.255SS*.Hα-helixtrans-59.9-36.2176.7-74.6170.5-165.800112.2N319 K320N319-E323 WeakPolarHBondContact O-CG 3.4Å; N319-E323 PolarHBondContact O-N 2.96Å; K320-E323 IonicContact NZ-OE2 3.77Å; K320-E323 PolarHBondContact NZ-OE2 3.18Å; K320-E323 PolarHBondContact O-N 3.5Å
324E92.9Very high92.1Very high59 Ų5950.5 Ų50.528%0.27627%0.271SS..THydrogen-bonded Turntrans-93.31180-65.5-168.9-158.700113.8K320 A321 R322 L326 I331 K334 Y335K320-E324 WeakPolarHBondContact CE-OE1 3.21Å; K320-E324 IonicContact NZ-OE1 3.98Å; K320-E324 PolarHBondContact O-N 3.12Å; A321-E324 CarbonylContact O-C 3.57Å; A321-E324 PolarHBondContact O-N 2.86Å; R322-E324 VanDerWaalsContact C-N 3.26Å; R322-E324 PolarHBondContact O-N 3.19Å; E324-L326 VanDerWaalsContact C-N 3.31Å; E324-L326 HydrophobicContact CB-CD1 4.15Å; E324-L326 HydrophobicContact CB-CG 4.19Å; E324-L326 PolarHBondContact O-N 2.9Å; E324-I331 HydrophobicContact CG-CD1 4.45Å; E324-K334 IonicContact OE2-NZ 3.51Å; E324-K334 PolarHBondContact OE2-NZ 3.1Å; E324-Y335 PolarHBondContact OE1-OH 2.76Å
325G94.6Very high92.5Very high69 Ų6951 Ų5171%0.71127%0.271SS*.THydrogen-bonded Turntrans66.330.2-177.500000113.9A321 R322A321-G325 PolarHBondContact O-N 2.96Å; R322-G325 PolarHBondContact O-N 2.85Å
326L95.9Very high93.3Very high59 Ų5950.9 Ų50.931%0.30927%0.267SS..  trans-115.2163.2-178.4-61.7177.7000111.5A321 E324 Q330 I331 K334A321-L326 CarbonylContact C-O 3.56Å; A321-L326 WeakPolarHBondContact CB-O 3.33Å; A321-L326 PolarHBondContact O-N 2.74Å; A321-L326 VanDerWaalsContact O-O 3.11Å; E324-L326 VanDerWaalsContact C-N 3.31Å; E324-L326 HydrophobicContact CB-CD1 4.15Å; E324-L326 HydrophobicContact CB-CG 4.19Å; E324-L326 PolarHBondContact O-N 2.9Å; L326-Q330 HydrophobicContact CB-CB 4.22Å; L326-I331 HydrophobicContact CD1-CB 4.34Å; L326-K334 HydrophobicContact CD1-CD 4.36Å
327T96.4Very high93.9Very high70 Ų7051.8 Ų51.843%0.42928%0.275SS..  trans-76.3157.3164.262.80000111Q329 Q330 I331T327-Q329 VanDerWaalsContact C-N 3.32Å; T327-Q329 PolarHBondContact O-N 3.46Å; T327-Q330 PolarHBondContact O-N 2.77Å; T327-Q330 WeakPolarHBondContact OG1-CB 3.44Å; T327-Q330 VanDerWaalsContact OG1-CD 3.26Å; T327-Q330 WeakPolarHBondContact OG1-CG 3.42Å; T327-Q330 PolarHBondContact OG1-N 3.25Å; T327-Q330 PolarHBondContact OG1-OE1 3.34Å; T327-I331 PolarHBondContact O-N 3.32Å; T327-I331 VanDerWaalsContact O-N 3.08Å
328P95.3Very high94.3Very high34 Ų3453.5 Ų53.522%0.22129%0.285CS..Hα-helixtrans-52.7-44.2174.1-29.637.1000113.9T317 E318 A321 Q330 I331 C332 W500T317-P328 HydrophobicContact CG2-CB 4.28Å; E318-P328 HydrophobicContact CG-CG 4.38Å; A321-P328 HydrophobicContact CB-CG 4.36Å; P328-Q330 PolarHBondContact O-N 3.3Å; P328-I331 WeakPolarHBondContact O-CG2 3.31Å; P328-I331 PolarHBondContact O-N 3.12Å; P328-C332 WeakPolarHBondContact O-CB 3.48Å; P328-C332 PolarHBondContact O-N 3.33Å; P328-C332 PolarHBondContact O-SG 3.38Å; P328-W500 HydrophobicContact CB-CB 4.26Å; P328-W500 HydrophobicContact CB-CD2 3.26Å; P328-W500 VanDerWaalsContact CB-CE2 3.46Å; P328-W500 HydrophobicContact CB-CE3 3.6Å; P328-W500 HydrophobicContact CB-CG 3.57Å; P328-W500 HydrophobicContact CB-CH2 4.24Å; P328-W500 HydrophobicContact CB-CZ2 3.95Å; P328-W500 HydrophobicContact CB-CZ3 4.08Å; P328-W500 HydrophobicContact CG-CB 4.34Å; P328-W500 HydrophobicContact CG-CD2 4.13Å; P328-W500 HydrophobicContact CG-CE3 4.26Å; P328-W500 HydrophobicContact CG-CG 4.17Å
329Q97.4Very high94.8Very high71 Ų7152 Ų5233%0.33228%0.279SS..Hα-helixtrans-60.6-47.4176.7-174.665.758.100112T327 I331 C332 D333 W500T327-Q329 VanDerWaalsContact C-N 3.32Å; T327-Q329 PolarHBondContact O-N 3.46Å; Q329-I331 VanDerWaalsContact C-N 3.33Å; Q329-I331 PolarHBondContact O-N 3.19Å; Q329-C332 WeakPolarHBondContact O-CB 3.23Å; Q329-C332 PolarHBondContact O-N 2.79Å; Q329-D333 PolarHBondContact NE2-OD1 2.66Å; Q329-D333 PolarHBondContact O-N 3.43Å; Q329-W500 HydrophobicContact CB-CH2 3.83Å; Q329-W500 HydrophobicContact CB-CZ3 4.45Å
330Q97.8Very high95.4Very high100 Ų10053.6 Ų53.647%0.46729%0.291SS..Hα-helixtrans-61.8-39.3-179.1-75.7167.8-40.200112.6L326 T327 P328 K334L326-Q330 HydrophobicContact CB-CB 4.22Å; T327-Q330 PolarHBondContact O-N 2.77Å; T327-Q330 WeakPolarHBondContact OG1-CB 3.44Å; T327-Q330 VanDerWaalsContact OG1-CD 3.26Å; T327-Q330 WeakPolarHBondContact OG1-CG 3.42Å; T327-Q330 PolarHBondContact OG1-N 3.25Å; T327-Q330 PolarHBondContact OG1-OE1 3.34Å; P328-Q330 PolarHBondContact O-N 3.3Å; Q330-K334 WeakPolarHBondContact O-CB 3.33Å; Q330-K334 PolarHBondContact O-N 2.82Å
331I96.9Very high95.9Very high1 Ų154.4 Ų54.41%0.00530%0.303CS..Hα-helixtrans-70.6-38.5177.5-167.1160.7000111.7T317 K320 A321 E324 L326 T327 P328 Q329 K334 Y335T317-I331 HydrophobicContact CG2-CG2 3.78Å; K320-I331 VanDerWaalsContact C-CD1 3.43Å; K320-I331 HydrophobicContact CB-CD1 3.7Å; K320-I331 HydrophobicContact CG-CD1 3.24Å; K320-I331 HydrophobicContact CG-CG1 4.5Å; A321-I331 HydrophobicContact CB-CB 4.4Å; A321-I331 HydrophobicContact CB-CG2 3.72Å; E324-I331 HydrophobicContact CG-CD1 4.45Å; L326-I331 HydrophobicContact CD1-CB 4.34Å; T327-I331 PolarHBondContact O-N 3.32Å; T327-I331 VanDerWaalsContact O-N 3.08Å; P328-I331 WeakPolarHBondContact O-CG2 3.31Å; P328-I331 PolarHBondContact O-N 3.12Å; Q329-I331 VanDerWaalsContact C-N 3.33Å; Q329-I331 PolarHBondContact O-N 3.19Å; I331-K334 PolarHBondContact O-N 2.92Å; I331-Y335 HydrophobicContact CD1-CD2 4.35Å; I331-Y335 HydrophobicContact CD1-CE2 4.12Å; I331-Y335 HydrophobicContact CG1-CD2 3.64Å; I331-Y335 HydrophobicContact CG1-CE2 3.86Å; I331-Y335 WeakPolarHBondContact O-CD2 3.49Å; I331-Y335 PolarHBondContact O-N 3.17Å
332C97.7Very high96.3Very high0 Ų054.5 Ų54.50%030%0.303CS..Hα-helixtrans-60.8-46.6173.7-69.80000111.3V274 E312 T317 P328 Q329 K334 Y335 H336 R355V274-C332 HydrophobicContact CG1-CB 4.42Å; V274-C332 WeakPolarHBondContact CG2-O 3.4Å; E312-C332 HydrophobicContact CB-CB 4.38Å; E312-C332 HydrophobicContact CG-CB 4.17Å; E312-C332 VanDerWaalsContact OE2-CB 3.26Å; E312-C332 WeakPolarHBondContact OE2-CB 3.42Å; T317-C332 WeakPolarHBondContact CG2-SG 3.29Å; P328-C332 WeakPolarHBondContact O-CB 3.48Å; P328-C332 PolarHBondContact O-N 3.33Å; P328-C332 PolarHBondContact O-SG 3.38Å; Q329-C332 WeakPolarHBondContact O-CB 3.23Å; Q329-C332 PolarHBondContact O-N 2.79Å; C332-K334 PolarHBondContact O-N 3.17Å; C332-Y335 PolarHBondContact O-N 3.27Å; C332-H336 WeakPolarHBondContact O-CB 3.37Å; C332-H336 PolarHBondContact O-N 3.05Å; C332-R355 VanDerWaalsContact C-NH2 3.27Å
333D97.9Very high96.8Very high65 Ų6549.4 Ų49.435%0.34828%0.284SS..Hα-helixtrans-59.9-46.5178.7-65-19.3000111.6Q329 A337 R355Q329-D333 PolarHBondContact NE2-OD1 2.66Å; Q329-D333 PolarHBondContact O-N 3.43Å; D333-A337 PolarHBondContact O-N 2.64Å; D333-R355 IonicContact OD1-CZ 3.09Å; D333-R355 IonicContact OD1-NH1 2.59Å; D333-R355 PolarHBondContact OD1-NH1 2.77Å; D333-R355 IonicContact OD1-NH2 2.84Å; D333-R355 PolarHBondContact OD1-NH2 3.48Å
334K97.1Very high97.2Very high99 Ų9951 Ų5143%0.4329%0.289SS..Hα-helixtrans-56.8-52.9177174.4-177.1173.9-176.80111.2E324 L326 Q330 I331 C332 V338E324-K334 IonicContact OE2-NZ 3.51Å; E324-K334 PolarHBondContact OE2-NZ 3.1Å; L326-K334 HydrophobicContact CD1-CD 4.36Å; Q330-K334 WeakPolarHBondContact O-CB 3.33Å; Q330-K334 PolarHBondContact O-N 2.82Å; I331-K334 PolarHBondContact O-N 2.92Å; C332-K334 PolarHBondContact O-N 3.17Å; K334-V338 WeakPolarHBondContact O-CG2 3.31Å; K334-V338 PolarHBondContact O-N 3.44Å
335Y97.3Very high97.5Very high20 Ų2051.6 Ų51.68%0.07829%0.288CS..Hα-helixtrans-80.8-28.2-173.4-83.6-81.3000113.5V274 V277 E324 I331 C332 A337 V338 H339V274-Y335 WeakPolarHBondContact O-CB 3.24Å; V274-Y335 VanDerWaalsContact O-CG 3.25Å; V277-Y335 HydrophobicContact CG2-CD1 4.37Å; V277-Y335 HydrophobicContact CG2-CE1 3.76Å; E324-Y335 PolarHBondContact OE1-OH 2.76Å; I331-Y335 HydrophobicContact CD1-CD2 4.35Å; I331-Y335 HydrophobicContact CD1-CE2 4.12Å; I331-Y335 HydrophobicContact CG1-CD2 3.64Å; I331-Y335 HydrophobicContact CG1-CE2 3.86Å; I331-Y335 WeakPolarHBondContact O-CD2 3.49Å; I331-Y335 PolarHBondContact O-N 3.17Å; C332-Y335 PolarHBondContact O-N 3.27Å; Y335-A337 VanDerWaalsContact C-N 3.26Å; Y335-A337 PolarHBondContact O-N 2.77Å; Y335-V338 HydrophobicContact CD1-CB 4.39Å; Y335-V338 HydrophobicContact CD1-CG2 4.5Å; Y335-V338 WeakPolarHBondContact O-CA 3.32Å; Y335-V338 WeakPolarHBondContact O-CB 3.41Å; Y335-V338 PolarHBondContact O-N 3.17Å; Y335-H339 PolarHBondContact O-CD2 2.98Å; Y335-H339 VanDerWaalsContact O-CD2 3.24Å; Y335-H339 PolarHBondContact O-N 2.86Å
336H98.3Very high97.7Very high31 Ų3148.3 Ų48.314%0.14425%0.254CS..Hα-helixtrans-56-44.4169.2177.178.2000111V274 T310 C332 V338 H339 S340 F353 G354 R355V274-H336 HydrophobicContact CG2-CB 4.46Å; T310-H336 HydrophobicContact CG2-CB 4.44Å; T310-H336 PolarHBondContact OG1-ND1 3.31Å; C332-H336 WeakPolarHBondContact O-CB 3.37Å; C332-H336 PolarHBondContact O-N 3.05Å; H336-V338 VanDerWaalsContact C-N 3.34Å; H336-V338 PolarHBondContact O-N 3.36Å; H336-H339 PolarHBondContact O-N 3Å; H336-S340 WeakPolarHBondContact O-CB 3.32Å; H336-S340 PolarHBondContact O-N 3.47Å; H336-F353 AromaticContact CE1-CD1 3.54Å; H336-F353 AromaticContact CE1-CE1 3.49Å; H336-F353 VanDerWaalsContact CE1-CE1 3.49Å; H336-F353 WeakPolarHBondContact CE1-CE1 3.3Å; H336-F353 AromaticContact ND1-CE1 3.74Å; H336-G354 PolarHBondContact CE1-O 3.34Å; H336-G354 VanDerWaalsContact CE1-O 3.32Å; H336-R355 WeakPolarHBondContact CE1-CG 3.36Å; H336-R355 WeakPolarHBondContact ND1-CG 3.45Å
337A98.1Very high97.8Very high58 Ų5847.7 Ų47.748%0.47925%0.25SS..Hα-helixtrans-62.3-39.4173.900000112.5D333 Y335 S341D333-A337 PolarHBondContact O-N 2.64Å; Y335-A337 VanDerWaalsContact C-N 3.26Å; Y335-A337 PolarHBondContact O-N 2.77Å; A337-S341 WeakPolarHBondContact O-CB 3.45Å; A337-S341 PolarHBondContact O-N 3.05Å; A337-S341 PolarHBondContact O-OG 3.11Å
338V97.8Very high97.9Very high37 Ų3745 Ų4522%0.22423%0.233CC..Hα-helixtrans-61.2-51.4174.6172.90000110.9V277 K334 Y335 H336 S340 S341 I342V277-V338 HydrophobicContact CG2-CG1 4.44Å; K334-V338 WeakPolarHBondContact O-CG2 3.31Å; K334-V338 PolarHBondContact O-N 3.44Å; Y335-V338 HydrophobicContact CD1-CB 4.39Å; Y335-V338 HydrophobicContact CD1-CG2 4.5Å; Y335-V338 WeakPolarHBondContact O-CA 3.32Å; Y335-V338 WeakPolarHBondContact O-CB 3.41Å; Y335-V338 PolarHBondContact O-N 3.17Å; H336-V338 VanDerWaalsContact C-N 3.34Å; H336-V338 PolarHBondContact O-N 3.36Å; V338-S340 PolarHBondContact O-N 3.26Å; V338-S341 PolarHBondContact O-N 2.71Å; V338-S341 PolarHBondContact O-OG 3.21Å; V338-I342 HydrophobicContact CG1-CD1 3.78Å; V338-I342 HydrophobicContact CG1-CG1 4.49Å; V338-I342 WeakPolarHBondContact O-CG1 3.5Å; V338-I342 PolarHBondContact O-N 3.36Å
339H98.4Very high98Very high1 Ų146.4 Ų46.41%0.00524%0.239CC..Hα-helixtrans-56.3-50.3176.8-84.8-95.2000111.8N276 P278 T310 Y335 H336 S341 I342 Y343 F353N276-H339 PolarHBondContact O-CE1 3.45Å; N276-H339 PolarHBondContact O-NE2 2.99Å; P278-H339 VanDerWaalsContact CD-CE1 3.45Å; P278-H339 WeakPolarHBondContact CD-CE1 3.47Å; T310-H339 HydrophobicContact CG2-CB 4.08Å; Y335-H339 PolarHBondContact O-CD2 2.98Å; Y335-H339 VanDerWaalsContact O-CD2 3.24Å; Y335-H339 PolarHBondContact O-N 2.86Å; H336-H339 PolarHBondContact O-N 3Å; H339-S341 VanDerWaalsContact C-N 3.3Å; H339-S341 PolarHBondContact O-N 3.35Å; H339-I342 PolarHBondContact O-N 3.05Å; H339-Y343 HydrophobicContact CB-CD2 4.31Å; H339-Y343 HydrophobicContact CB-CE2 3.8Å; H339-Y343 AromaticContact ND1-CE2 3.65Å; H339-Y343 AromaticContact ND1-CZ 3.49Å; H339-Y343 PolarHBondContact ND1-OH 3.29Å; H339-Y343 WeakPolarHBondContact O-CD2 3.48Å; H339-Y343 VanDerWaalsContact O-CG 3.25Å; H339-Y343 PolarHBondContact O-N 3.35Å; H339-F353 HydrophobicContact CB-CE1 4.35Å; H339-F353 HydrophobicContact CB-CZ 4.19Å
340S98.2Very high98.1Very high52 Ų5244.6 Ų44.636%0.36423%0.23SC..Hα-helixtrans-56.3-44.5178.2-177.50000111.8H336 V338 I342 Y343 K344H336-S340 WeakPolarHBondContact O-CB 3.32Å; H336-S340 PolarHBondContact O-N 3.47Å; V338-S340 PolarHBondContact O-N 3.26Å; S340-I342 PolarHBondContact O-N 3.1Å; S340-Y343 PolarHBondContact O-N 3.33Å; S340-K344 VanDerWaalsContact O-CB 3.29Å; S340-K344 WeakPolarHBondContact O-CB 3.45Å; S340-K344 PolarHBondContact O-N 2.78Å
341S98.3Very high98.1Very high65 Ų6540.7 Ų40.746%0.45521%0.212SC..Hα-helixtrans-64.3-39.8178.176.80000113.3A337 V338 H339 W345A337-S341 WeakPolarHBondContact O-CB 3.45Å; A337-S341 PolarHBondContact O-N 3.05Å; A337-S341 PolarHBondContact O-OG 3.11Å; V338-S341 PolarHBondContact O-N 2.71Å; V338-S341 PolarHBondContact O-OG 3.21Å; H339-S341 VanDerWaalsContact C-N 3.3Å; H339-S341 PolarHBondContact O-N 3.35Å; S341-W345 PolarHBondContact O-N 3.33Å
342I98.6Very high98.2Very high4 Ų443.7 Ų43.72%0.02123%0.225CC..Hα-helixtrans-65.2-50.8177.8-69167.8000109.7V277 P278 I283 V338 H339 S340 K344 W345 F346 D604V277-I342 HydrophobicContact CG1-CD1 3.84Å; P278-I342 HydrophobicContact CG-CD1 3.89Å; P278-I342 HydrophobicContact CG-CG2 4.34Å; I283-I342 HydrophobicContact CD1-CG2 4.14Å; V338-I342 HydrophobicContact CG1-CD1 3.78Å; V338-I342 HydrophobicContact CG1-CG1 4.49Å; V338-I342 WeakPolarHBondContact O-CG1 3.5Å; V338-I342 PolarHBondContact O-N 3.36Å; H339-I342 PolarHBondContact O-N 3.05Å; S340-I342 PolarHBondContact O-N 3.1Å; I342-K344 VanDerWaalsContact C-N 3.31Å; I342-K344 PolarHBondContact O-N 2.7Å; I342-W345 PolarHBondContact O-N 2.8Å; I342-W345 VanDerWaalsContact O-N 3.12Å; I342-F346 HydrophobicContact CG2-CD2 3.94Å; I342-F346 HydrophobicContact CG2-CE2 4.22Å; I342-F346 WeakPolarHBondContact O-CD2 3.48Å; I342-F346 PolarHBondContact O-N 3.45Å; I342-D604 HydrophobicContact CD1-CB 4.08Å; I342-D604 HydrophobicContact CG1-CB 4.33Å
343Y98.6Very high98.2Very high5 Ų545.2 Ų45.22%0.0223%0.232CC..Hα-helixtrans-65.7-36.1-177.4-58.4-32.9000112.1P272 P278 I283 V287 H339 S340 F346 Q347 I348 F350 F353P272-Y343 HydrophobicContact CG-CE2 4.14Å; P272-Y343 WeakPolarHBondContact CG-OH 3.39Å; P278-Y343 HydrophobicContact CG-CE1 4.1Å; I283-Y343 HydrophobicContact CG1-CE1 4.34Å; V287-Y343 HydrophobicContact CG1-CE1 4.42Å; V287-Y343 HydrophobicContact CG2-CD1 3.86Å; V287-Y343 HydrophobicContact CG2-CE1 3.73Å; H339-Y343 HydrophobicContact CB-CD2 4.31Å; H339-Y343 HydrophobicContact CB-CE2 3.8Å; H339-Y343 AromaticContact ND1-CE2 3.65Å; H339-Y343 AromaticContact ND1-CZ 3.49Å; H339-Y343 PolarHBondContact ND1-OH 3.29Å; H339-Y343 WeakPolarHBondContact O-CD2 3.48Å; H339-Y343 VanDerWaalsContact O-CG 3.25Å; H339-Y343 PolarHBondContact O-N 3.35Å; S340-Y343 PolarHBondContact O-N 3.33Å; Y343-F346 CarbonylContact O-C 3.54Å; Y343-F346 PolarHBondContact O-N 3.06Å; Y343-Q347 PolarHBondContact O-N 3.27Å; Y343-Q347 VanDerWaalsContact O-N 3.11Å; Y343-I348 WeakPolarHBondContact O-CG1 3.36Å; Y343-I348 PolarHBondContact O-N 3.31Å; Y343-F350 AromaticContact CD2-CE2 3.92Å; Y343-F350 HydrophobicContact CD2-CE2 3.92Å; Y343-F350 HydrophobicContact CD2-CZ 4.33Å; Y343-F350 HydrophobicContact CG-CE2 4.13Å; Y343-F353 HydrophobicContact CD2-CD2 4.49Å; Y343-F353 HydrophobicContact CD2-CE1 4.48Å; Y343-F353 AromaticContact CD2-CE2 3.82Å; Y343-F353 HydrophobicContact CD2-CE2 3.82Å; Y343-F353 AromaticContact CD2-CZ 3.81Å; Y343-F353 HydrophobicContact CD2-CZ 3.81Å; Y343-F353 AromaticContact CE2-CE2 3.8Å; Y343-F353 HydrophobicContact CE2-CE2 3.8Å; Y343-F353 AromaticContact CE2-CZ 3.68Å; Y343-F353 HydrophobicContact CE2-CZ 3.68Å
344K98.6Very high98.2Very high171 Ų17142.4 Ų42.474%0.74322%0.218SC*.Hα-helixtrans-61-43.5170.7-173.6173.7-177.51740112.2S340 I342 Q347S340-K344 VanDerWaalsContact O-CB 3.29Å; S340-K344 WeakPolarHBondContact O-CB 3.45Å; S340-K344 PolarHBondContact O-N 2.78Å; I342-K344 VanDerWaalsContact C-N 3.31Å; I342-K344 PolarHBondContact O-N 2.7Å; K344-Q347 WeakPolarHBondContact O-CA 3.36Å; K344-Q347 PolarHBondContact O-N 3.28Å
345W98.6Very high98.3Very high71 Ų7140 Ų4027%0.26921%0.206SC..Hα-helixtrans-66.8-37.4177.8-176.282000112.8S341 I342 Q347 A606 K607 S613 W616S341-W345 PolarHBondContact O-N 3.33Å; I342-W345 PolarHBondContact O-N 2.8Å; I342-W345 VanDerWaalsContact O-N 3.12Å; W345-Q347 PolarHBondContact O-N 3.46Å; W345-A606 HydrophobicContact CE3-CB 4.41Å; W345-A606 HydrophobicContact CH2-CB 3.97Å; W345-A606 HydrophobicContact CZ3-CB 3.56Å; W345-K607 HydrophobicContact CD2-CB 3.75Å; W345-K607 VanDerWaalsContact CE2-CB 3.4Å; W345-K607 HydrophobicContact CE3-CB 4.37Å; W345-K607 HydrophobicContact CG-CB 4.1Å; W345-K607 HydrophobicContact CH2-CB 4.36Å; W345-K607 HydrophobicContact CZ2-CB 3.78Å; W345-S613 WeakPolarHBondContact O-CB 3.49Å; W345-S613 PolarHBondContact O-OG 3.45Å; W345-W616 AromaticContact CH2-CD1 3.6Å; W345-W616 AromaticContact CH2-NE1 3.84Å
346F98.6Very high98.4Very high0 Ų039 Ų390%020%0.203CC..THydrogen-bonded Turntrans-72.21.6170-87.1-86.5000113.8L280 I283 I342 Y343 I348 A606 W616 R617 L620L280-F346 HydrophobicContact CD2-CE1 4.45Å; L280-F346 HydrophobicContact CD2-CZ 3.77Å; I283-F346 HydrophobicContact CD1-CD2 4.01Å; I283-F346 HydrophobicContact CD1-CE1 4.5Å; I283-F346 HydrophobicContact CD1-CE2 3.65Å; I283-F346 HydrophobicContact CD1-CZ 3.92Å; I283-F346 HydrophobicContact CG2-CD1 4.24Å; I283-F346 HydrophobicContact CG2-CE1 4.42Å; I283-F346 HydrophobicContact CG2-CG 4.49Å; I342-F346 HydrophobicContact CG2-CD2 3.94Å; I342-F346 HydrophobicContact CG2-CE2 4.22Å; I342-F346 WeakPolarHBondContact O-CD2 3.48Å; I342-F346 PolarHBondContact O-N 3.45Å; Y343-F346 CarbonylContact O-C 3.54Å; Y343-F346 PolarHBondContact O-N 3.06Å; F346-I348 VanDerWaalsContact C-N 3.29Å; F346-I348 HydrophobicContact CB-CD1 4.38Å; F346-I348 HydrophobicContact CB-CG1 4.13Å; F346-I348 PolarHBondContact O-N 3.02Å; F346-A606 HydrophobicContact CE2-CB 4.03Å; F346-A606 HydrophobicContact CZ-CB 3.92Å; F346-W616 HydrophobicContact CE1-CB 3.86Å; F346-W616 HydrophobicContact CE1-CG 4.49Å; F346-W616 HydrophobicContact CZ-CB 4.49Å; F346-R617 HydrophobicContact CD1-CG 4.49Å; F346-R617 WeakPolarHBondContact O-CD 3.49Å; F346-R617 PolarHBondContact O-NH1 3.22Å; F346-L620 HydrophobicContact CE1-CD1 4.37Å
347Q98.5Very high98.4Very high47 Ų4738.7 Ų38.722%0.2220%0.203CC..THydrogen-bonded Turntrans57.639.9179-54.7173.872.700112.6R295 Y343 K344 W345 S613 D614 R617 P760R295-Q347 PolarHBondContact NH2-O 3.06Å; Y343-Q347 PolarHBondContact O-N 3.27Å; Y343-Q347 VanDerWaalsContact O-N 3.11Å; K344-Q347 WeakPolarHBondContact O-CA 3.36Å; K344-Q347 PolarHBondContact O-N 3.28Å; W345-Q347 PolarHBondContact O-N 3.46Å; Q347-S613 PolarHBondContact NE2-OG 3.38Å; Q347-D614 PolarHBondContact NE2-OD1 2.74Å; Q347-R617 PolarHBondContact O-NH1 3.47Å; Q347-P760 HydrophobicContact CB-CG 4.02Å
348I98.8Very high98.4Very high14 Ų1437.5 Ų37.57%0.07219%0.189CC..  trans-77.1122.1171.2-52.4-58.4000108.7V287 L288 D291 F306 Y343 F346 F350V287-I348 HydrophobicContact CB-CG2 4.37Å; V287-I348 HydrophobicContact CG2-CD1 4.35Å; V287-I348 HydrophobicContact CG2-CG1 4.27Å; L288-I348 HydrophobicContact CB-CD1 4.21Å; L288-I348 HydrophobicContact CD1-CD1 4.09Å; D291-I348 HydrophobicContact CB-CD1 3.87Å; D291-I348 HydrophobicContact CB-CG2 4.14Å; F306-I348 HydrophobicContact CE1-CG2 3.99Å; F306-I348 HydrophobicContact CZ-CG2 4.36Å; Y343-I348 WeakPolarHBondContact O-CG1 3.36Å; Y343-I348 PolarHBondContact O-N 3.31Å; F346-I348 VanDerWaalsContact C-N 3.29Å; F346-I348 HydrophobicContact CB-CD1 4.38Å; F346-I348 HydrophobicContact CB-CG1 4.13Å; F346-I348 PolarHBondContact O-N 3.02Å; I348-F350 HydrophobicContact CB-CD2 4.44Å; I348-F350 HydrophobicContact CB-CE2 4.04Å; I348-F350 HydrophobicContact CB-CZ 4.35Å; I348-F350 HydrophobicContact CG2-CD1 4.05Å; I348-F350 HydrophobicContact CG2-CD2 3.8Å; I348-F350 HydrophobicContact CG2-CE1 3.65Å; I348-F350 HydrophobicContact CG2-CE2 3.4Å; I348-F350 VanDerWaalsContact CG2-CE2 3.4Å; I348-F350 HydrophobicContact CG2-CG 4.13Å; I348-F350 HydrophobicContact CG2-CZ 3.33Å; I348-F350 PolarHBondContact O-N 3.28Å
349D97.3Very high98.4Very high63 Ų6344.1 Ų44.134%0.33722%0.218SC..  trans-10268.8-171.8-169.338.6000111.2D291 R295 F306D291-D349 PolarHBondContact OD1-N 3.46Å; R295-D349 IonicContact NH1-OD2 3.76Å; F306-D349 WeakPolarHBondContact CD1-O 3.35Å
350F98.4Very high98.4Very high32 Ų3246.8 Ų46.814%0.1423%0.23CC..  trans-68.8137171.5-57.9-67.1000110.1V287 F306 C308 Y343 I348 F353V287-F350 HydrophobicContact CB-CZ 4.01Å; V287-F350 HydrophobicContact CG1-CE1 4.34Å; V287-F350 HydrophobicContact CG1-CZ 3.79Å; F306-F350 AromaticContact CD1-CD1 3.91Å; F306-F350 HydrophobicContact CD1-CD1 3.91Å; F306-F350 HydrophobicContact CD2-CD1 4.28Å; F306-F350 AromaticContact CE1-CD1 3.47Å; F306-F350 HydrophobicContact CE1-CD1 3.47Å; F306-F350 VanDerWaalsContact CE1-CD1 3.47Å; F306-F350 AromaticContact CE1-CE1 3.7Å; F306-F350 HydrophobicContact CE1-CE1 3.7Å; F306-F350 HydrophobicContact CE1-CG 4.37Å; F306-F350 AromaticContact CE2-CD1 3.87Å; F306-F350 HydrophobicContact CE2-CD1 3.87Å; F306-F350 AromaticContact CE2-CE1 3.81Å; F306-F350 HydrophobicContact CE2-CE1 3.81Å; F306-F350 HydrophobicContact CG-CD1 4.3Å; F306-F350 AromaticContact CZ-CD1 3.45Å; F306-F350 HydrophobicContact CZ-CD1 3.45Å; F306-F350 VanDerWaalsContact CZ-CD1 3.45Å; F306-F350 AromaticContact CZ-CE1 3.27Å; F306-F350 HydrophobicContact CZ-CE1 3.27Å; F306-F350 HydrophobicContact CZ-CZ 4.39Å; C308-F350 HydrophobicContact CB-CD1 3.73Å; C308-F350 HydrophobicContact CB-CE1 3.25Å; C308-F350 HydrophobicContact CB-CZ 3.8Å; Y343-F350 AromaticContact CD2-CE2 3.92Å; Y343-F350 HydrophobicContact CD2-CE2 3.92Å; Y343-F350 HydrophobicContact CD2-CZ 4.33Å; Y343-F350 HydrophobicContact CG-CE2 4.13Å; I348-F350 HydrophobicContact CB-CD2 4.44Å; I348-F350 HydrophobicContact CB-CE2 4.04Å; I348-F350 HydrophobicContact CB-CZ 4.35Å; I348-F350 HydrophobicContact CG2-CD1 4.05Å; I348-F350 HydrophobicContact CG2-CD2 3.8Å; I348-F350 HydrophobicContact CG2-CE1 3.65Å; I348-F350 HydrophobicContact CG2-CE2 3.4Å; I348-F350 VanDerWaalsContact CG2-CE2 3.4Å; I348-F350 HydrophobicContact CG2-CG 4.13Å; I348-F350 HydrophobicContact CG2-CZ 3.33Å; I348-F350 PolarHBondContact O-N 3.28Å; F350-F353 HydrophobicContact CB-CB 4.32Å; F350-F353 HydrophobicContact CD2-CB 3.93Å; F350-F353 AromaticContact CD2-CD2 3.75Å; F350-F353 HydrophobicContact CD2-CD2 3.75Å; F350-F353 HydrophobicContact CD2-CG 4.12Å; F350-F353 HydrophobicContact CE1-CD2 4.49Å; F350-F353 AromaticContact CE2-CD2 3.54Å; F350-F353 HydrophobicContact CE2-CD2 3.54Å; F350-F353 HydrophobicContact CE2-CE2 4.05Å; F350-F353 HydrophobicContact CE2-CG 4.24Å; F350-F353 HydrophobicContact CG-CB 4.29Å; F350-F353 HydrophobicContact CG-CD2 4.3Å; F350-F353 AromaticContact CZ-CD2 3.93Å; F350-F353 HydrophobicContact CZ-CD2 3.93Å; F350-F353 HydrophobicContact CZ-CE2 4.22Å
351D98.3Very high98.4Very high18 Ų1844.3 Ų44.310%0.09621%0.212CC..SBendtrans-66.7-34.5165.2-71.3-62.8000111.1K252 H254 L305 F306K252-D351 WeakPolarHBondContact CD-OD1 3.34Å; K252-D351 WeakPolarHBondContact CE-OD1 3.34Å; K252-D351 IonicContact NZ-OD1 3.01Å; K252-D351 PolarHBondContact NZ-OD1 3.32Å; K252-D351 IonicContact NZ-OD2 3.2Å; K252-D351 PolarHBondContact NZ-OD2 3.37Å; H254-D351 IonicContact CE1-OD1 3.74Å; H254-D351 PolarHBondContact CE1-OD1 3.25Å; L305-D351 WeakPolarHBondContact CA-OD2 3.39Å; L305-D351 HydrophobicContact CD1-CB 3.61Å; F306-D351 PolarHBondContact N-OD2 3.01Å; F306-D351 WeakPolarHBondContact O-CB 3.16Å; F306-D351 PolarHBondContact O-N 2.68Å
352F98.4Very high98.4Very high64 Ų6442.8 Ų42.828%0.28120%0.2SC..EExtended strand (participates in β ladder)trans-154128.6173.5-168.4-110.6000111.2V307 C308 I527 N530 Y531V307-F352 WeakPolarHBondContact CA-O 3.4Å; V307-F352 HydrophobicContact CG1-CB 4.28Å; C308-F352 PolarHBondContact N-O 2.94Å; F352-I527 HydrophobicContact CD1-CG2 3.67Å; F352-I527 WeakPolarHBondContact CD1-O 3.13Å; F352-I527 HydrophobicContact CE1-CG2 4.13Å; F352-I527 VanDerWaalsContact CE1-O 3.32Å; F352-I527 WeakPolarHBondContact CE1-O 3.07Å; F352-N530 HydrophobicContact CE1-CB 4.04Å; F352-N530 HydrophobicContact CZ-CB 4.22Å; F352-Y531 HydrophobicContact CB-CD2 3.7Å; F352-Y531 HydrophobicContact CB-CE2 4.34Å; F352-Y531 HydrophobicContact CB-CG 3.96Å; F352-Y531 AromaticContact CD2-CD2 3.91Å; F352-Y531 HydrophobicContact CD2-CD2 3.91Å; F352-Y531 AromaticContact CG-CD2 3.9Å; F352-Y531 HydrophobicContact CG-CD2 3.9Å; F352-Y531 HydrophobicContact CG-CG 4.15Å
353F98.6Very high98.4Very high33 Ų3347.7 Ų47.715%0.14522%0.223CC..EExtended strand (participates in β ladder)trans-111.398.1174.1-172.4-104.6000109.8C308 T310 H336 H339 Y343 F350C308-F353 HydrophobicContact CB-CD2 4.03Å; C308-F353 HydrophobicContact CB-CE2 4.22Å; C308-F353 CarbonylContact O-C 3.53Å; C308-F353 VanDerWaalsContact O-CA 3.31Å; C308-F353 WeakPolarHBondContact O-CA 2.98Å; T310-F353 HydrophobicContact CG2-CE1 4.33Å; T310-F353 HydrophobicContact CG2-CZ 4.04Å; H336-F353 AromaticContact CE1-CD1 3.54Å; H336-F353 AromaticContact CE1-CE1 3.49Å; H336-F353 VanDerWaalsContact CE1-CE1 3.49Å; H336-F353 WeakPolarHBondContact CE1-CE1 3.3Å; H336-F353 AromaticContact ND1-CE1 3.74Å; H339-F353 HydrophobicContact CB-CE1 4.35Å; H339-F353 HydrophobicContact CB-CZ 4.19Å; Y343-F353 HydrophobicContact CD2-CD2 4.49Å; Y343-F353 HydrophobicContact CD2-CE1 4.48Å; Y343-F353 AromaticContact CD2-CE2 3.82Å; Y343-F353 HydrophobicContact CD2-CE2 3.82Å; Y343-F353 AromaticContact CD2-CZ 3.81Å; Y343-F353 HydrophobicContact CD2-CZ 3.81Å; Y343-F353 AromaticContact CE2-CE2 3.8Å; Y343-F353 HydrophobicContact CE2-CE2 3.8Å; Y343-F353 AromaticContact CE2-CZ 3.68Å; Y343-F353 HydrophobicContact CE2-CZ 3.68Å; F350-F353 HydrophobicContact CB-CB 4.32Å; F350-F353 HydrophobicContact CD2-CB 3.93Å; F350-F353 AromaticContact CD2-CD2 3.75Å; F350-F353 HydrophobicContact CD2-CD2 3.75Å; F350-F353 HydrophobicContact CD2-CG 4.12Å; F350-F353 HydrophobicContact CE1-CD2 4.49Å; F350-F353 AromaticContact CE2-CD2 3.54Å; F350-F353 HydrophobicContact CE2-CD2 3.54Å; F350-F353 HydrophobicContact CE2-CE2 4.05Å; F350-F353 HydrophobicContact CE2-CG 4.24Å; F350-F353 HydrophobicContact CG-CB 4.29Å; F350-F353 HydrophobicContact CG-CD2 4.3Å; F350-F353 AromaticContact CZ-CD2 3.93Å; F350-F353 HydrophobicContact CZ-CD2 3.93Å; F350-F353 HydrophobicContact CZ-CE2 4.22Å
354G98.4Very high98.5Very high6 Ų647.7 Ų47.76%0.06222%0.223CC..EExtended strand (participates in β ladder)trans-101.9-156.9-17200000114.8C308 G309 T310 H336C308-G354 PolarHBondContact O-N 2.73Å; G309-G354 CarbonylContact C-O 3.44Å; G309-G354 WeakPolarHBondContact CA-O 3.18Å; T310-G354 PolarHBondContact N-O 3.13Å; T310-G354 VanDerWaalsContact N-O 3.14Å; H336-G354 PolarHBondContact CE1-O 3.34Å; H336-G354 VanDerWaalsContact CE1-O 3.32Å
355R98.6Very high98.5Very high47 Ų4739.6 Ų39.618%0.17719%0.188CC..EExtended strand (participates in β ladder)trans-147.2149.3-172.2-57-176.271.2177.1-6.8110.3E312 C332 D333 H336 T358E312-R355 WeakPolarHBondContact OE1-CB 3.39Å; E312-R355 WeakPolarHBondContact OE1-CG 3.43Å; E312-R355 IonicContact OE1-CZ 3.27Å; E312-R355 IonicContact OE1-NE 2.84Å; E312-R355 PolarHBondContact OE1-NE 2.56Å; E312-R355 IonicContact OE1-NH2 2.99Å; E312-R355 PolarHBondContact OE1-NH2 3.46Å; E312-R355 IonicContact OE2-CZ 3.73Å; E312-R355 IonicContact OE2-NE 3.19Å; E312-R355 PolarHBondContact OE2-NE 2.81Å; E312-R355 IonicContact OE2-NH2 2.7Å; E312-R355 PolarHBondContact OE2-NH2 3.28Å; C332-R355 VanDerWaalsContact C-NH2 3.27Å; D333-R355 IonicContact OD1-CZ 3.09Å; D333-R355 IonicContact OD1-NH1 2.59Å; D333-R355 PolarHBondContact OD1-NH1 2.77Å; D333-R355 IonicContact OD1-NH2 2.84Å; D333-R355 PolarHBondContact OD1-NH2 3.48Å; H336-R355 WeakPolarHBondContact CE1-CG 3.36Å; H336-R355 WeakPolarHBondContact ND1-CG 3.45Å; R355-T358 HydrophobicContact CB-CG2 4.43Å
356T98.5Very high98.5Very high1 Ų138.4 Ų38.41%0.00619%0.186CC..SBendtrans-82.7-14.717457.60000113.7L271 T310 E312 Y313 T358 Q361L271-T356 HydrophobicContact CD1-CG2 3.74Å; T310-T356 PolarHBondContact O-N 2.72Å; T310-T356 PolarHBondContact O-OG1 2.85Å; E312-T356 PolarHBondContact N-OG1 3.32Å; E312-T356 VanDerWaalsContact N-OG1 3.08Å; Y313-T356 WeakPolarHBondContact CE2-O 3.36Å; T356-T358 VanDerWaalsContact C-N 3.28Å; T356-T358 PolarHBondContact O-N 2.58Å; T356-Q361 WeakPolarHBondContact O-CB 3.26Å; T356-Q361 WeakPolarHBondContact O-CG 3.13Å
357T97.9Very high98.5Very high24 Ų2441.1 Ų41.115%0.14720%0.2CC..SBendtrans-85.557-179.848.70000112.8E312 Y313 W500E312-T357 HydrophobicContact CB-CG2 3.5Å; E312-T357 HydrophobicContact CG-CG2 4.42Å; E312-T357 WeakPolarHBondContact OE2-CG2 3.34Å; E312-T357 PolarHBondContact OE2-OG1 2.81Å; Y313-T357 HydrophobicContact CD1-CG2 4.05Å; Y313-T357 HydrophobicContact CE1-CG2 3.59Å; Y313-T357 HydrophobicContact CE2-CG2 4.41Å; T357-W500 HydrophobicContact CG2-CH2 4.24Å; T357-W500 HydrophobicContact CG2-CZ2 3.59Å
358T98.4Very high98.5Very high32 Ų3238.9 Ų38.920%0.19619%0.19CC..SBendtrans-126.9160.3-17766.80000113R355 T356 K360 Q361 T362 N530R355-T358 HydrophobicContact CB-CG2 4.43Å; T356-T358 VanDerWaalsContact C-N 3.28Å; T356-T358 PolarHBondContact O-N 2.58Å; T358-K360 VanDerWaalsContact C-N 3.27Å; T358-K360 PolarHBondContact O-N 2.93Å; T358-Q361 WeakPolarHBondContact O-CB 3.34Å; T358-Q361 PolarHBondContact O-N 3.36Å; T358-Q361 PolarHBondContact OG1-N 3.24Å; T358-T362 PolarHBondContact O-N 2.85Å; T358-N530 PolarHBondContact OG1-ND2 2.95Å
359E98.3Very high98.5Very high176 Ų17638.2 Ų38.282%0.82219%0.186SC*.Hα-helixtrans-59.3-40.5173.7-66.4-178177.100111.3Q361 T362 E363E359-Q361 VanDerWaalsContact C-N 3.3Å; E359-Q361 PolarHBondContact O-N 3.18Å; E359-T362 WeakPolarHBondContact O-CB 3.12Å; E359-T362 PolarHBondContact O-N 3.32Å; E359-E363 PolarHBondContact O-N 3.14Å
360K98.5Very high98.5Very high58 Ų5840.2 Ų40.225%0.25219%0.189SC..Hα-helixtrans-62.6-33176.2-71.5-61.4178.8-167.10113.7T358 T362 E363 I364 A529T358-K360 VanDerWaalsContact C-N 3.27Å; T358-K360 PolarHBondContact O-N 2.93Å; K360-T362 VanDerWaalsContact C-N 3.35Å; K360-E363 WeakPolarHBondContact CD-OE2 3.16Å; K360-E363 IonicContact NZ-OE1 3.9Å; K360-E363 PolarHBondContact NZ-OE1 3.25Å; K360-E363 IonicContact NZ-OE2 3.6Å; K360-E363 PolarHBondContact NZ-OE2 3.3Å; K360-I364 WeakPolarHBondContact O-CB 3.21Å; K360-I364 WeakPolarHBondContact O-CD1 3.48Å; K360-I364 VanDerWaalsContact O-CG1 3.26Å; K360-I364 WeakPolarHBondContact O-CG1 3.28Å; K360-I364 PolarHBondContact O-N 2.98Å; K360-I364 VanDerWaalsContact O-N 3.07Å; K360-A529 HydrophobicContact CB-CB 4.2Å; K360-A529 HydrophobicContact CD-CB 4.26Å; K360-A529 HydrophobicContact CG-CB 4.18Å
361Q98.7Very high98.5Very high0 Ų042.2 Ų42.20%020%0.196CC..Hα-helixtrans-60.8-48.4170.7174.870.87.400110.5Y313 T356 T358 E359 A365 D519 S526Y313-Q361 HydrophobicContact CE2-CG 4.29Å; T356-Q361 WeakPolarHBondContact O-CB 3.26Å; T356-Q361 WeakPolarHBondContact O-CG 3.13Å; T358-Q361 WeakPolarHBondContact O-CB 3.34Å; T358-Q361 PolarHBondContact O-N 3.36Å; T358-Q361 PolarHBondContact OG1-N 3.24Å; E359-Q361 VanDerWaalsContact C-N 3.3Å; E359-Q361 PolarHBondContact O-N 3.18Å; Q361-A365 WeakPolarHBondContact O-CB 3.3Å; Q361-A365 PolarHBondContact O-N 3.18Å; Q361-D519 PolarHBondContact NE2-O 3.4Å; Q361-D519 PolarHBondContact NE2-OD2 3.26Å; Q361-D519 VanDerWaalsContact NE2-OD2 3.09Å; Q361-S526 VanDerWaalsContact CA-CB 3.46Å; Q361-S526 PolarHBondContact OE1-OG 3.04Å
362T98.6Very high98.5Very high32 Ų3241.3 Ų41.320%0.19619%0.191CC..Hα-helixtrans-62.2-48.8-178.2-58.10000110.9T358 E359 K360 I364 Q366 T502 P503T358-T362 PolarHBondContact O-N 2.85Å; E359-T362 WeakPolarHBondContact O-CB 3.12Å; E359-T362 PolarHBondContact O-N 3.32Å; K360-T362 VanDerWaalsContact C-N 3.35Å; T362-I364 PolarHBondContact O-N 3.03Å; T362-Q366 HydrophobicContact CG2-CG 4.33Å; T362-Q366 VanDerWaalsContact O-CB 3.24Å; T362-Q366 WeakPolarHBondContact O-CB 3.24Å; T362-Q366 WeakPolarHBondContact O-CG 3.45Å; T362-Q366 PolarHBondContact O-N 3.23Å; T362-T502 HydrophobicContact CG2-CG2 4.17Å; T362-P503 HydrophobicContact CG2-CG 4.11Å
363E98.7Very high98.5Very high107 Ų10741.8 Ų41.850%0.519%0.194SC..Hα-helixtrans-55.6-53.3178.3-175-172.915200112E359 K360 Q366 D367E359-E363 PolarHBondContact O-N 3.14Å; K360-E363 WeakPolarHBondContact CD-OE2 3.16Å; K360-E363 IonicContact NZ-OE1 3.9Å; K360-E363 PolarHBondContact NZ-OE1 3.25Å; K360-E363 IonicContact NZ-OE2 3.6Å; K360-E363 PolarHBondContact NZ-OE2 3.3Å; E363-Q366 PolarHBondContact O-N 3.46Å; E363-D367 PolarHBondContact O-N 2.92Å
364I98.8Very high98.5Very high6 Ų648.7 Ų48.73%0.03122%0.224CC..Hα-helixtrans-72.4-40.7-173.7-63.1168000111.5K360 T362 Q366 D367 I368 I522 L525 A529 W535K360-I364 WeakPolarHBondContact O-CB 3.21Å; K360-I364 WeakPolarHBondContact O-CD1 3.48Å; K360-I364 VanDerWaalsContact O-CG1 3.26Å; K360-I364 WeakPolarHBondContact O-CG1 3.28Å; K360-I364 PolarHBondContact O-N 2.98Å; K360-I364 VanDerWaalsContact O-N 3.07Å; T362-I364 PolarHBondContact O-N 3.03Å; I364-Q366 VanDerWaalsContact C-N 3.31Å; I364-Q366 PolarHBondContact O-N 3.39Å; I364-D367 PolarHBondContact O-N 3.47Å; I364-I368 HydrophobicContact CG2-CD1 4.02Å; I364-I368 WeakPolarHBondContact O-CG1 3.41Å; I364-I368 PolarHBondContact O-N 3.47Å; I364-I522 HydrophobicContact CB-CG2 4.24Å; I364-I522 HydrophobicContact CG2-CG2 3.64Å; I364-L525 HydrophobicContact CD1-CB 4.4Å; I364-L525 HydrophobicContact CG2-CB 4.21Å; I364-L525 HydrophobicContact CG2-CD2 4.05Å; I364-A529 HydrophobicContact CD1-CB 3.79Å; I364-W535 HydrophobicContact CD1-CH2 4.08Å; I364-W535 HydrophobicContact CD1-CZ2 3.77Å; I364-W535 HydrophobicContact CG1-CH2 4.34Å; I364-W535 HydrophobicContact CG1-CZ2 4Å; I364-W535 HydrophobicContact CG2-CH2 4.27Å
365A98.6Very high98.5Very high0 Ų051 Ų510%024%0.235CC..Hα-helixtrans-63.9-39.1177.200000111.6Q361 F369 T502 F514 D519 I522Q361-A365 WeakPolarHBondContact O-CB 3.3Å; Q361-A365 PolarHBondContact O-N 3.18Å; A365-F369 VanDerWaalsContact O-CB 3.3Å; A365-F369 WeakPolarHBondContact O-CB 3.47Å; A365-F369 PolarHBondContact O-N 2.97Å; A365-T502 HydrophobicContact CB-CG2 4.11Å; A365-F514 HydrophobicContact CB-CD2 4.49Å; A365-D519 HydrophobicContact CB-CB 4.23Å; A365-I522 HydrophobicContact CB-CD1 4.04Å; A365-I522 HydrophobicContact CB-CG2 4.29Å
366Q98.6Very high98.4Very high47 Ų4750.5 Ų50.522%0.2224%0.244CC..Hα-helixtrans-69.2-37.1175.6-70.2-176.7-6.300112.6T362 E363 I364 F369 W370 P503 P505 F514T362-Q366 HydrophobicContact CG2-CG 4.33Å; T362-Q366 VanDerWaalsContact O-CB 3.24Å; T362-Q366 WeakPolarHBondContact O-CB 3.24Å; T362-Q366 WeakPolarHBondContact O-CG 3.45Å; T362-Q366 PolarHBondContact O-N 3.23Å; E363-Q366 PolarHBondContact O-N 3.46Å; I364-Q366 VanDerWaalsContact C-N 3.31Å; I364-Q366 PolarHBondContact O-N 3.39Å; Q366-F369 WeakPolarHBondContact O-CB 3.26Å; Q366-F369 PolarHBondContact O-N 3.06Å; Q366-W370 PolarHBondContact O-N 2.96Å; Q366-P503 PolarHBondContact NE2-O 2.94Å; Q366-P505 HydrophobicContact CB-CB 4.5Å; Q366-P505 HydrophobicContact CB-CG 3.98Å; Q366-P505 HydrophobicContact CG-CB 4.08Å; Q366-P505 HydrophobicContact CG-CG 3.71Å; Q366-F514 HydrophobicContact CG-CE2 4.25Å
367D98.8Very high98.4Very high57 Ų5751.3 Ų51.331%0.30525%0.248SC..Hα-helixtrans-61.8-50.1173.2176.261.2000111.7E363 I364 F369 W370 R371E363-D367 PolarHBondContact O-N 2.92Å; I364-D367 PolarHBondContact O-N 3.47Å; D367-F369 VanDerWaalsContact C-N 3.3Å; D367-F369 PolarHBondContact O-N 2.97Å; D367-W370 PolarHBondContact O-N 2.79Å; D367-R371 VanDerWaalsContact CG-NE 3.33Å; D367-R371 WeakPolarHBondContact O-CG 3.4Å; D367-R371 PolarHBondContact O-N 2.82Å; D367-R371 IonicContact OD1-CZ 3.86Å; D367-R371 IonicContact OD1-NE 3.47Å; D367-R371 PolarHBondContact OD1-NE 2.91Å; D367-R371 IonicContact OD1-NH2 3.1Å; D367-R371 IonicContact OD2-CZ 3.34Å; D367-R371 IonicContact OD2-NE 2.62Å; D367-R371 PolarHBondContact OD2-NE 3.01Å; D367-R371 IonicContact OD2-NH2 2.67Å
368I98.8Very high98.4Very high0 Ų051.2 Ų51.20%025%0.247CC..Hα-helixtrans-59.3-44177.2-69.9169.9000110.6I364 W370 R371 L372 F518 I522 L525 L567 A570 Y574I364-I368 HydrophobicContact CG2-CD1 4.02Å; I364-I368 WeakPolarHBondContact O-CG1 3.41Å; I364-I368 PolarHBondContact O-N 3.47Å; I368-W370 PolarHBondContact O-N 2.93Å; I368-R371 PolarHBondContact O-N 3.14Å; I368-L372 HydrophobicContact CG2-CD1 3.88Å; I368-L372 HydrophobicContact CG2-CG 4.49Å; I368-L372 WeakPolarHBondContact O-CG 3.29Å; I368-L372 PolarHBondContact O-N 3.48Å; I368-F518 HydrophobicContact CG2-CZ 4.49Å; I368-I522 HydrophobicContact CB-CD1 4.43Å; I368-I522 HydrophobicContact CD1-CD1 3.94Å; I368-I522 HydrophobicContact CD1-CG1 3.99Å; I368-I522 HydrophobicContact CD1-CG2 4.02Å; I368-I522 HydrophobicContact CG2-CD1 4.38Å; I368-L525 HydrophobicContact CD1-CD2 4.18Å; I368-L567 HydrophobicContact CD1-CD2 4.02Å; I368-A570 HydrophobicContact CG2-CB 4.45Å; I368-Y574 HydrophobicContact CG1-CE2 4.36Å; I368-Y574 WeakPolarHBondContact CG1-OH 3.46Å
369F98.5Very high98.3Very high0 Ų052 Ų520%025%0.251CS..Hα-helixtrans-55.9-50.5174.5166.1-97.4000112.3A365 Q366 D367 R371 L372 H373 L378 L449 I494 V504 P505 F514A365-F369 VanDerWaalsContact O-CB 3.3Å; A365-F369 WeakPolarHBondContact O-CB 3.47Å; A365-F369 PolarHBondContact O-N 2.97Å; Q366-F369 WeakPolarHBondContact O-CB 3.26Å; Q366-F369 PolarHBondContact O-N 3.06Å; D367-F369 VanDerWaalsContact C-N 3.3Å; D367-F369 PolarHBondContact O-N 2.97Å; F369-R371 VanDerWaalsContact C-N 3.31Å; F369-R371 PolarHBondContact O-N 2.71Å; F369-L372 PolarHBondContact O-N 3.04Å; F369-H373 WeakPolarHBondContact O-CB 3.28Å; F369-H373 PolarHBondContact O-N 3.36Å; F369-L378 HydrophobicContact CD2-CD1 3.54Å; F369-L378 HydrophobicContact CE2-CD1 3.29Å; F369-L378 HydrophobicContact CG-CD1 4.5Å; F369-L378 HydrophobicContact CZ-CD1 4.08Å; F369-L449 HydrophobicContact CE2-CD1 3.76Å; F369-L449 HydrophobicContact CZ-CD1 3.94Å; F369-I494 HydrophobicContact CD2-CD1 4.33Å; F369-V504 HydrophobicContact CE2-CG1 4.47Å; F369-V504 HydrophobicContact CZ-CG1 4.28Å; F369-P505 HydrophobicContact CD1-CG 3.54Å; F369-P505 HydrophobicContact CE1-CG 3.77Å; F369-F514 HydrophobicContact CB-CE1 4.19Å; F369-F514 HydrophobicContact CB-CE2 4.39Å; F369-F514 HydrophobicContact CB-CZ 3.59Å; F369-F514 HydrophobicContact CD1-CZ 4.19Å; F369-F514 AromaticContact CD2-CE1 3.51Å; F369-F514 HydrophobicContact CD2-CE1 3.51Å; F369-F514 AromaticContact CD2-CZ 3.63Å; F369-F514 HydrophobicContact CD2-CZ 3.63Å; F369-F514 HydrophobicContact CE2-CE1 4.07Å; F369-F514 HydrophobicContact CE2-CZ 4.35Å; F369-F514 AromaticContact CG-CE1 3.93Å; F369-F514 HydrophobicContact CG-CE1 3.93Å; F369-F514 AromaticContact CG-CZ 3.52Å; F369-F514 HydrophobicContact CG-CZ 3.52Å
370W98.4Very high98.1Very high105 Ų10548 Ų4840%0.39823%0.233SC..Hα-helixtrans-66.4-33.3-177.4-82.9126.1000113Q366 D367 I368 H373 K374 P505Q366-W370 PolarHBondContact O-N 2.96Å; D367-W370 PolarHBondContact O-N 2.79Å; I368-W370 PolarHBondContact O-N 2.93Å; W370-H373 HydrophobicContact CE3-CB 4.1Å; W370-H373 AromaticContact CZ3-ND1 3.84Å; W370-H373 PolarHBondContact O-N 3.07Å; W370-K374 VanDerWaalsContact O-CB 3.26Å; W370-K374 WeakPolarHBondContact O-CB 3.45Å; W370-K374 PolarHBondContact O-N 3.33Å; W370-P505 HydrophobicContact CZ2-CB 4.37Å; W370-P505 HydrophobicContact CZ2-CG 4.35Å; W370-P505 WeakPolarHBondContact CZ2-O 3.49Å
371R98.6Very high97.8Very high73 Ų7350 Ų5028%0.27525%0.246SC..Hα-helixtrans-66.3-46.4173-69168.7-178.9-99.910111.6D367 I368 F369 H373 K374 N375 A570 D572D367-R371 VanDerWaalsContact CG-NE 3.33Å; D367-R371 WeakPolarHBondContact O-CG 3.4Å; D367-R371 PolarHBondContact O-N 2.82Å; D367-R371 IonicContact OD1-CZ 3.86Å; D367-R371 IonicContact OD1-NE 3.47Å; D367-R371 PolarHBondContact OD1-NE 2.91Å; D367-R371 IonicContact OD1-NH2 3.1Å; D367-R371 IonicContact OD2-CZ 3.34Å; D367-R371 IonicContact OD2-NE 2.62Å; D367-R371 PolarHBondContact OD2-NE 3.01Å; D367-R371 IonicContact OD2-NH2 2.67Å; I368-R371 PolarHBondContact O-N 3.14Å; F369-R371 VanDerWaalsContact C-N 3.31Å; F369-R371 PolarHBondContact O-N 2.71Å; R371-H373 VanDerWaalsContact C-N 3.31Å; R371-H373 PolarHBondContact O-N 3.26Å; R371-K374 PolarHBondContact O-N 3.38Å; R371-N375 VanDerWaalsContact O-CB 3.32Å; R371-N375 WeakPolarHBondContact O-CB 3.33Å; R371-N375 PolarHBondContact O-N 3.41Å; R371-N375 PolarHBondContact O-ND2 3.39Å; R371-A570 HydrophobicContact CB-CB 3.96Å; R371-D572 IonicContact CZ-OD1 3.16Å; R371-D572 VanDerWaalsContact CZ-OD1 3.32Å; R371-D572 IonicContact CZ-OD2 3.02Å; R371-D572 IonicContact NE-OD2 3.25Å; R371-D572 IonicContact NH1-OD1 2.66Å; R371-D572 PolarHBondContact NH1-OD1 3.15Å; R371-D572 IonicContact NH1-OD2 2.63Å; R371-D572 PolarHBondContact NH1-OD2 3.25Å; R371-D572 IonicContact NH2-OD1 2.98Å; R371-D572 PolarHBondContact NH2-OD1 3.37Å; R371-D572 IonicContact NH2-OD2 2.7Å; R371-D572 PolarHBondContact NH2-OD2 2.88Å; R371-D572 VanDerWaalsContact NH2-OD2 3.11Å
372L98.6Very high97.3Very high0 Ų053.4 Ų53.40%027%0.267CS..Hα-helixtrans-60-42.2174.9-72.2166.2000112I368 F369 N375 G376 F377 L378 L451 F518I368-L372 HydrophobicContact CG2-CD1 3.88Å; I368-L372 HydrophobicContact CG2-CG 4.49Å; I368-L372 WeakPolarHBondContact O-CG 3.29Å; I368-L372 PolarHBondContact O-N 3.48Å; F369-L372 PolarHBondContact O-N 3.04Å; L372-N375 PolarHBondContact O-N 3.28Å; L372-G376 PolarHBondContact O-N 3.1Å; L372-F377 HydrophobicContact CD2-CB 4.04Å; L372-F377 HydrophobicContact CD2-CD2 4.14Å; L372-F377 HydrophobicContact CD2-CG 4.48Å; L372-F377 PolarHBondContact O-N 3.49Å; L372-L378 HydrophobicContact CB-CD1 4.39Å; L372-L378 HydrophobicContact CB-CD2 4.08Å; L372-L378 HydrophobicContact CB-CG 4.08Å; L372-L451 HydrophobicContact CD1-CD1 4.16Å; L372-L451 HydrophobicContact CD2-CD1 4.03Å; L372-F518 HydrophobicContact CD1-CE2 4.02Å; L372-F518 HydrophobicContact CD1-CZ 4.2Å
373H97.6Very high96.7Very high74 Ų7454.2 Ų54.234%0.34327%0.272SS..Hα-helixtrans-60.9-53.1175.5-176.8-87.4000111.3F369 W370 R371 N375 G376 L378F369-H373 WeakPolarHBondContact O-CB 3.28Å; F369-H373 PolarHBondContact O-N 3.36Å; W370-H373 HydrophobicContact CE3-CB 4.1Å; W370-H373 AromaticContact CZ3-ND1 3.84Å; W370-H373 PolarHBondContact O-N 3.07Å; R371-H373 VanDerWaalsContact C-N 3.31Å; R371-H373 PolarHBondContact O-N 3.26Å; H373-N375 PolarHBondContact O-N 3.37Å; H373-G376 PolarHBondContact O-N 3.1Å; H373-L378 HydrophobicContact CB-CD1 3.83Å
374K98.1Very high96.3Very high177 Ų17754.7 Ų54.777%0.7727%0.274SS*.Hα-helixtrans-57.3-35.6178.6-178.8-177.7175.6-174.20112.3W370 R371 G376W370-K374 VanDerWaalsContact O-CB 3.26Å; W370-K374 WeakPolarHBondContact O-CB 3.45Å; W370-K374 PolarHBondContact O-N 3.33Å; R371-K374 PolarHBondContact O-N 3.38Å; K374-G376 VanDerWaalsContact C-N 3.32Å
375N98.1Very high95.7Very high54 Ų5456.9 Ų56.929%0.28928%0.284SS..THydrogen-bonded Turntrans-86.93.7-178.6-64.4-16.7000113.6R371 L372 H373 F377 G569R371-N375 VanDerWaalsContact O-CB 3.32Å; R371-N375 WeakPolarHBondContact O-CB 3.33Å; R371-N375 PolarHBondContact O-N 3.41Å; R371-N375 PolarHBondContact O-ND2 3.39Å; L372-N375 PolarHBondContact O-N 3.28Å; H373-N375 PolarHBondContact O-N 3.37Å; N375-F377 HydrophobicContact CB-CD2 3.59Å; N375-F377 HydrophobicContact CB-CE2 3.55Å; N375-G569 PolarHBondContact ND2-O 2.96Å
376G97.6Very high95.3Very high37 Ų3757.1 Ų57.138%0.38129%0.285SS..THydrogen-bonded Turntrans74.924.1173.800000115.1L372 H373 K374 K455L372-G376 PolarHBondContact O-N 3.1Å; H373-G376 PolarHBondContact O-N 3.1Å; K374-G376 VanDerWaalsContact C-N 3.32Å; G376-K455 PolarHBondContact O-NZ 2.91Å
377F98.4Very high95Very high18 Ų1857.6 Ų57.68%0.07929%0.285CS..  trans-96.64.2179.1-62.6-57.1000114L372 N375 L451 D452 K455 L456 G569L372-F377 HydrophobicContact CD2-CB 4.04Å; L372-F377 HydrophobicContact CD2-CD2 4.14Å; L372-F377 HydrophobicContact CD2-CG 4.48Å; L372-F377 PolarHBondContact O-N 3.49Å; N375-F377 HydrophobicContact CB-CD2 3.59Å; N375-F377 HydrophobicContact CB-CE2 3.55Å; F377-L451 HydrophobicContact CB-CD1 4.47Å; F377-D452 WeakPolarHBondContact O-CB 3.32Å; F377-D452 PolarHBondContact O-N 3.5Å; F377-K455 HydrophobicContact CD1-CB 3.99Å; F377-K455 HydrophobicContact CD1-CD 4.43Å; F377-K455 HydrophobicContact CE1-CB 4.13Å; F377-L456 HydrophobicContact CB-CD1 4.24Å; F377-L456 HydrophobicContact CD1-CD1 4.14Å; F377-L456 HydrophobicContact CD1-CD2 3.71Å; F377-L456 HydrophobicContact CD1-CG 3.7Å; F377-L456 HydrophobicContact CD2-CD2 4.1Å; F377-L456 HydrophobicContact CE1-CD2 3.52Å; F377-L456 HydrophobicContact CE1-CG 3.91Å; F377-L456 HydrophobicContact CE2-CD2 3.91Å; F377-L456 HydrophobicContact CG-CD1 4.13Å; F377-L456 HydrophobicContact CG-CD2 4.01Å; F377-L456 HydrophobicContact CG-CG 4.13Å; F377-L456 HydrophobicContact CZ-CD2 3.64Å; F377-L456 HydrophobicContact CZ-CG 4.5Å; F377-G569 WeakPolarHBondContact CD2-O 3.33Å; F377-G569 WeakPolarHBondContact CE2-O 3.24Å
378L97.6Very high94.7Very high23 Ų2354.9 Ų54.912%0.1227%0.27CS..EExtended strand (participates in β ladder)trans-111.4139.4174.4-56.8-174.6000110.2F369 L372 H373 F450 L451 I494F369-L378 HydrophobicContact CD2-CD1 3.54Å; F369-L378 HydrophobicContact CE2-CD1 3.29Å; F369-L378 HydrophobicContact CG-CD1 4.5Å; F369-L378 HydrophobicContact CZ-CD1 4.08Å; L372-L378 HydrophobicContact CB-CD1 4.39Å; L372-L378 HydrophobicContact CB-CD2 4.08Å; L372-L378 HydrophobicContact CB-CG 4.08Å; H373-L378 HydrophobicContact CB-CD1 3.83Å; L378-F450 VanDerWaalsContact CA-O 3.32Å; L378-F450 WeakPolarHBondContact CA-O 2.92Å; L378-L451 HydrophobicContact CD2-CD1 4.09Å; L378-I494 HydrophobicContact CD1-CD1 4.43Å; L378-I494 HydrophobicContact CD2-CD1 3.75Å
379V96Very high94.3Very high47 Ų4758.2 Ų58.229%0.28529%0.286SS..EExtended strand (participates in β ladder)trans-126144.9173.6-60.70000110F450 D452V379-F450 HydrophobicContact CG2-CB 3.76Å; V379-F450 PolarHBondContact N-O 3.08Å; V379-F450 PolarHBondContact O-N 3.4Å; V379-D452 HydrophobicContact CG1-CB 4.25Å
380E94.6Very high93.9Very high94 Ų9463.7 Ų63.744%0.43932%0.315SS..EExtended strand (participates in β ladder)trans-95.5136.2173.8-72.2-177.8-163.800110H448 L449 F509E380-H448 WeakPolarHBondContact CA-O 3.18Å; E380-L449 HydrophobicContact CG-CD2 3.46Å; E380-L449 VanDerWaalsContact CG-CD2 3.46Å; E380-L449 HydrophobicContact CG-CG 4.45Å; E380-F509 HydrophobicContact CG-CZ 4.31Å
381D91.7Very high93.2Very high99 Ų9960.4 Ų60.453%0.52931%0.308SS..EExtended strand (participates in β ladder)trans-142.7160.2169.1-159.71.6000110H448 F450D381-H448 PolarHBondContact N-O 3.04Å; D381-H448 PolarHBondContact O-N 3.21Å; D381-F450 HydrophobicContact CB-CD2 4.02Å; D381-F450 HydrophobicContact CB-CE2 3.55Å; D381-F450 HydrophobicContact CB-CZ 4.18Å
382T89.3Confident92.6Very high72 Ų7262.4 Ų62.444%0.44232%0.32SS..EExtended strand (participates in β ladder)trans-107.6126.4-179.9-570000109.9
383V86.1Confident91.9Very high49 Ų4964.9 Ų64.930%0.29733%0.33SS..EExtended strand (participates in β ladder)trans-109.5130.2178.8-172.70000109.1Q385 S446 F450V383-Q385 HydrophobicContact CG1-CG 3.96Å; V383-S446 PolarHBondContact N-O 2.86Å; V383-S446 PolarHBondContact O-N 3.31Å; V383-F450 HydrophobicContact CG2-CZ 4.03Å
384E88.9Confident91.4Very high117 Ų11763 Ų6355%0.54732%0.32SS..EExtended strand (participates in β ladder)trans-78.1125169.9-64.1-164.2141.600110V427 I443E384-V427 HydrophobicContact CB-CG1 4.44Å; E384-I443 HydrophobicContact CB-CG2 3.99Å; E384-I443 HydrophobicContact CG-CG2 4.43Å
385Q87.6Confident90.7Very high52 Ų5255.1 Ų55.124%0.24329%0.287CS..EExtended strand (participates in β ladder)trans-137.3151.8-178.6-68.8179.7-23.200110.3V383 R387 F394 R444V383-Q385 HydrophobicContact CG1-CG 3.96Å; Q385-R387 PolarHBondContact O-N 3.14Å; Q385-F394 HydrophobicContact CB-CD1 3.55Å; Q385-F394 HydrophobicContact CB-CE1 4.03Å; Q385-F394 HydrophobicContact CB-CG 4.5Å; Q385-R444 PolarHBondContact N-O 3.05Å; Q385-R444 PolarHBondContact O-N 3.21Å
386L90.6Very high89.9Confident4 Ų454.4 Ų54.42%0.02129%0.288CS..EExtended strand (participates in β ladder)trans-77.1121.9173.1-71.9174.8000110F394 L395 V400 A426 V427 P432 P441 E442 I443L386-F394 CarbonylContact O-C 3.51Å; L386-F394 WeakPolarHBondContact O-CA 3.28Å; L386-L395 PolarHBondContact O-N 3.29Å; L386-V400 HydrophobicContact CD1-CB 4.38Å; L386-V400 HydrophobicContact CD1-CG1 3.52Å; L386-V400 HydrophobicContact CD1-CG2 3.96Å; L386-A426 HydrophobicContact CD1-CB 4.07Å; L386-A426 WeakPolarHBondContact CD1-O 3.46Å; L386-V427 HydrophobicContact CG-CG1 4.32Å; L386-P432 HydrophobicContact CD1-CB 3.83Å; L386-P432 HydrophobicContact CD1-CG 4.31Å; L386-P432 HydrophobicContact CD2-CG 4.19Å; L386-P441 HydrophobicContact CB-CB 4.02Å; L386-P441 HydrophobicContact CB-CG 4.12Å; L386-P441 HydrophobicContact CD1-CG 4.13Å; L386-P441 HydrophobicContact CD2-CB 4.38Å; L386-P441 HydrophobicContact CD2-CG 4.14Å; L386-P441 HydrophobicContact CG-CG 4.37Å; L386-E442 CarbonylContact C-O 3.39Å; L386-E442 WeakPolarHBondContact CA-O 3.48Å; L386-I443 HydrophobicContact CD2-CG1 3.64Å
387R91.6Very high89Confident57 Ų5756.1 Ų56.122%0.21529%0.289CS..EExtended strand (participates in β ladder)trans-107.6129.2173.5-174.5178.4174.9123-1.6109.8Q385 E389 R393 F394 P441 E442 R444Q385-R387 PolarHBondContact O-N 3.14Å; R387-E389 WeakPolarHBondContact CD-OE1 3.29Å; R387-E389 IonicContact NE-OE1 3.18Å; R387-R393 WeakPolarHBondContact CA-O 3.4Å; R387-F394 HydrophobicContact CB-CD1 3.93Å; R387-F394 HydrophobicContact CB-CE1 4.04Å; R387-P441 CarbonylContact O-C 3.51Å; R387-P441 VanDerWaalsContact O-CA 3.27Å; R387-P441 WeakPolarHBondContact O-CA 3.44Å; R387-P441 WeakPolarHBondContact O-CB 3.29Å; R387-E442 PolarHBondContact N-O 3.45Å; R387-E442 PolarHBondContact O-N 2.84Å; R387-R444 HydrophobicContact CB-CB 4.2Å; R387-R444 HydrophobicContact CB-CG 3.87Å
388C91.6Very high88Confident0 Ų061.4 Ų61.40%031%0.308CS..EExtended strand (participates in β ladder)trans-91.5112.4170.4-179.20000109.3N390 C391 Q392 R393 L395 C434 C437C388-N390 VanDerWaalsContact C-N 3.31Å; C388-N390 PolarHBondContact O-N 2.98Å; C388-C391 HydrophobicContact CB-CB 4Å; C388-C391 CarbonylContact O-C 3.55Å; C388-C391 PolarHBondContact O-N 2.99Å; C388-C391 PolarHBondContact SG-N 2.97Å; C388-C391 VanDerWaalsContact SG-N 3.4Å; C388-C391 VanDerWaalsContact SG-SG 3.69Å; C388-Q392 WeakPolarHBondContact O-CA 3.26Å; C388-Q392 PolarHBondContact O-N 3.45Å; C388-R393 PolarHBondContact N-O 3.17Å; C388-R393 PolarHBondContact O-N 3.01Å; C388-L395 HydrophobicContact CB-CD1 4.04Å; C388-L395 HydrophobicContact CB-CD2 3.87Å; C388-L395 HydrophobicContact CB-CG 4.03Å; C388-C434 HydrophobicContact CB-CB 4.34Å; C388-C437 PolarHBondContact SG-SG 3.19Å
389E91.3Very high87.3Confident70 Ų7061.9 Ų61.933%0.32731%0.309SS..THydrogen-bonded Turntrans-64.6-33.9177.9-69.6-56.6138.600112.4R387 Q392R387-E389 WeakPolarHBondContact CD-OE1 3.29Å; R387-E389 IonicContact NE-OE1 3.18Å; E389-Q392 WeakPolarHBondContact O-CG 3.4Å; E389-Q392 PolarHBondContact O-N 3.33Å; E389-Q392 PolarHBondContact O-NE2 3.32Å; E389-Q392 PolarHBondContact OE2-NE2 3.45Å
390N90Very high86.9Confident115 Ų11559.6 Ų59.662%0.61530%0.296SS*.THydrogen-bonded Turntrans-71.2-36.7177.3-171.874.4000112.7C388 Q392 Q439C388-N390 VanDerWaalsContact C-N 3.31Å; C388-N390 PolarHBondContact O-N 2.98Å; N390-Q392 VanDerWaalsContact C-N 3.3Å; N390-Q439 HydrophobicContact CB-CG 4.17Å
391C84.3Confident86.8Confident36 Ų3656.9 Ų56.924%0.24328%0.283CS..THydrogen-bonded Turntrans-86.9-1.6175.8-62.50000112.9C388 R393C388-C391 HydrophobicContact CB-CB 4Å; C388-C391 CarbonylContact O-C 3.55Å; C388-C391 PolarHBondContact O-N 2.99Å; C388-C391 PolarHBondContact SG-N 2.97Å; C388-C391 VanDerWaalsContact SG-N 3.4Å; C388-C391 VanDerWaalsContact SG-SG 3.69Å; C391-R393 HydrophobicContact CB-CG 3.89Å; C391-R393 PolarHBondContact O-N 3.32Å
392Q85.4Confident86.9Confident115 Ų11552.4 Ų52.454%0.53726%0.26SS..THydrogen-bonded Turntrans43.446.1-175.1-73.8-63.4-39.300113.7C388 E389 N390C388-Q392 WeakPolarHBondContact O-CA 3.26Å; C388-Q392 PolarHBondContact O-N 3.45Å; E389-Q392 WeakPolarHBondContact O-CG 3.4Å; E389-Q392 PolarHBondContact O-N 3.33Å; E389-Q392 PolarHBondContact O-NE2 3.32Å; E389-Q392 PolarHBondContact OE2-NE2 3.45Å; N390-Q392 VanDerWaalsContact C-N 3.3Å
393R83.4Confident87.3Confident53 Ų5350.3 Ų50.320%0.225%0.247CC..EExtended strand (participates in β ladder)trans-153.6156.7-178.471.3-176.5-173.6172.64113.5R322 R387 C388 C391 L395R322-R393 VanDerWaalsContact NH2-NH1 3.12Å; R387-R393 WeakPolarHBondContact CA-O 3.4Å; C388-R393 PolarHBondContact N-O 3.17Å; C388-R393 PolarHBondContact O-N 3.01Å; C391-R393 HydrophobicContact CB-CG 3.89Å; C391-R393 PolarHBondContact O-N 3.32Å; R393-L395 HydrophobicContact CG-CD2 4.38Å
394F87.2Confident87.6Confident33 Ų3348 Ų4815%0.14523%0.233CC..EExtended strand (participates in β ladder)trans-70.9143.4165.3-67.7-85.4000110.9Q385 L386 R387 R444 D497Q385-F394 HydrophobicContact CB-CD1 3.55Å; Q385-F394 HydrophobicContact CB-CE1 4.03Å; Q385-F394 HydrophobicContact CB-CG 4.5Å; L386-F394 CarbonylContact O-C 3.51Å; L386-F394 WeakPolarHBondContact O-CA 3.28Å; R387-F394 HydrophobicContact CB-CD1 3.93Å; R387-F394 HydrophobicContact CB-CE1 4.04Å; F394-R444 HydrophobicContact CE1-CB 3.85Å; F394-R444 HydrophobicContact CZ-CB 4.3Å; F394-D497 HydrophobicContact CB-CB 4.23Å; F394-D497 HydrophobicContact CD2-CB 3.46Å; F394-D497 VanDerWaalsContact CD2-CB 3.46Å; F394-D497 VanDerWaalsContact CD2-CG 3.43Å; F394-D497 HydrophobicContact CE2-CB 4.16Å; F394-D497 HydrophobicContact CG-CB 4.18Å
395L84.4Confident87.9Confident12 Ų1243.7 Ų43.76%0.06322%0.215CC..PPolyproline II helixtrans-100.6122.7-177.3-60-177.9000109.8L386 C388 R393 F399 V400 C434 P441L386-L395 PolarHBondContact O-N 3.29Å; C388-L395 HydrophobicContact CB-CD1 4.04Å; C388-L395 HydrophobicContact CB-CD2 3.87Å; C388-L395 HydrophobicContact CB-CG 4.03Å; R393-L395 HydrophobicContact CG-CD2 4.38Å; L395-F399 HydrophobicContact CB-CB 4.46Å; L395-F399 HydrophobicContact CD2-CB 4.27Å; L395-V400 HydrophobicContact CB-CG2 3.58Å; L395-V400 HydrophobicContact CD1-CG2 3.99Å; L395-V400 HydrophobicContact CG-CG2 4.47Å; L395-C434 HydrophobicContact CD1-CB 3.79Å; L395-C434 VanDerWaalsContact CD2-SG 3.6Å; L395-P441 HydrophobicContact CD1-CB 3.68Å; L395-P441 HydrophobicContact CD1-CG 3.85Å
396A80.3Confident88.1Confident39 Ų3945.9 Ų45.932%0.32223%0.225SC..PPolyproline II helixtrans-67.9153.4163.300000110.1R398 F399A396-R398 HydrophobicContact CB-CG 4.23Å; A396-R398 PolarHBondContact O-N 3.14Å; A396-F399 HydrophobicContact CB-CD2 4.24Å; A396-F399 WeakPolarHBondContact O-CA 3.31Å; A396-F399 WeakPolarHBondContact O-CB 3.03Å; A396-F399 PolarHBondContact O-N 2.81Å
397D79.1Confident88.3Confident73 Ų7347.6 Ų47.639%0.3924%0.237SC..G310 helixtrans-48.1-39.7-176.6-59.2-14.5000114.2F399 V400 G414 D415 A426D397-F399 PolarHBondContact O-N 2.91Å; D397-V400 PolarHBondContact O-N 3.42Å; D397-V400 VanDerWaalsContact O-O 3.06Å; D397-G414 PolarHBondContact O-N 3.2Å; D397-D415 HydrophobicContact CB-CB 3.84Å; D397-A426 WeakPolarHBondContact OD1-CB 3.45Å
398R76.3Confident88.4Confident130 Ų13048.6 Ų48.649%0.49125%0.253SS..G310 helixtrans-63.5-20.3176.461.7-179.4160.1-151.6-7115.1A396 K435A396-R398 HydrophobicContact CB-CG 4.23Å; A396-R398 PolarHBondContact O-N 3.14Å; R398-K435 WeakPolarHBondContact O-CD 3.24Å; R398-K435 WeakPolarHBondContact O-CE 3.4Å
399F83.7Confident88.5Confident32 Ų3251.5 Ų51.514%0.1427%0.265CS..G310 helixtrans-99.25.5176.3-63-48.1000112.9T315 N319 L395 A396 D397 C434 K435 V436T315-F399 HydrophobicContact CG2-CE2 4.46Å; N319-F399 WeakPolarHBondContact ND2-CZ 3.45Å; N319-F399 WeakPolarHBondContact OD1-CZ 3.49Å; L395-F399 HydrophobicContact CB-CB 4.46Å; L395-F399 HydrophobicContact CD2-CB 4.27Å; A396-F399 HydrophobicContact CB-CD2 4.24Å; A396-F399 WeakPolarHBondContact O-CA 3.31Å; A396-F399 WeakPolarHBondContact O-CB 3.03Å; A396-F399 PolarHBondContact O-N 2.81Å; D397-F399 PolarHBondContact O-N 2.91Å; F399-C434 WeakPolarHBondContact O-CA 3.42Å; F399-K435 PolarHBondContact O-N 3.39Å; F399-V436 HydrophobicContact CD1-CG2 4.21Å
400V87.9Confident88.6Confident0 Ų051.9 Ų51.90%027%0.273CS..EExtended strand (participates in β ladder)trans-112.9129.1174.9-170.20000108.7L386 L395 D397 G414 A426 L429 P432L386-V400 HydrophobicContact CD1-CB 4.38Å; L386-V400 HydrophobicContact CD1-CG1 3.52Å; L386-V400 HydrophobicContact CD1-CG2 3.96Å; L395-V400 HydrophobicContact CB-CG2 3.58Å; L395-V400 HydrophobicContact CD1-CG2 3.99Å; L395-V400 HydrophobicContact CG-CG2 4.47Å; D397-V400 PolarHBondContact O-N 3.42Å; D397-V400 VanDerWaalsContact O-O 3.06Å; V400-G414 PolarHBondContact O-N 2.83Å; V400-A426 HydrophobicContact CB-CB 4.37Å; V400-A426 HydrophobicContact CG1-CB 4.44Å; V400-A426 HydrophobicContact CG2-CB 4.28Å; V400-L429 HydrophobicContact CB-CD1 4.47Å; V400-L429 HydrophobicContact CG1-CD1 3.64Å; V400-P432 HydrophobicContact CG1-CB 3.98Å
401E92.6Very high88.6Confident37 Ų3752 Ų5217%0.17327%0.27CS..EExtended strand (participates in β ladder)trans-121.8150.7168.3-110.9160.7-155.900107.7A412 P432 Q433 K435 R438E401-A412 CarbonylContact C-O 3.58Å; E401-A412 WeakPolarHBondContact CA-O 3.47Å; E401-P432 CarbonylContact O-C 3.51Å; E401-P432 WeakPolarHBondContact O-CA 3.35Å; E401-Q433 PolarHBondContact N-O 3.03Å; E401-Q433 PolarHBondContact O-N 3.27Å; E401-K435 HydrophobicContact CB-CG 4.2Å; E401-K435 VanDerWaalsContact CD-CE 3.4Å; E401-K435 HydrophobicContact CG-CD 4.33Å; E401-K435 HydrophobicContact CG-CG 4.21Å; E401-K435 WeakPolarHBondContact OE1-CD 3.37Å; E401-K435 WeakPolarHBondContact OE1-CE 3.28Å; E401-K435 IonicContact OE1-NZ 3.63Å; E401-K435 PolarHBondContact OE1-NZ 3.38Å; E401-R438 IonicContact OE2-CZ 3.64Å; E401-R438 IonicContact OE2-NH1 2.95Å; E401-R438 PolarHBondContact OE2-NH1 2.86Å
402G94.5Very high88.9Confident5 Ų550.2 Ų50.25%0.05226%0.258CS..EExtended strand (participates in β ladder)trans179.5-178.4175.100000113.1P410 A412G402-P410 CarbonylContact C-O 3.48Å; G402-P410 CarbonylContact O-C 3.35Å; G402-P410 VanDerWaalsContact O-O 3.07Å; G402-A412 PolarHBondContact N-O 3.34Å; G402-A412 WeakPolarHBondContact O-CA 3.49Å; G402-A412 WeakPolarHBondContact O-CB 3.41Å; G402-A412 PolarHBondContact O-N 3.38Å
403T96.4Very high89Confident28 Ų2847.8 Ų47.817%0.17224%0.244CC..EExtended strand (participates in β ladder)trans-78.2124.2179.8-63.20000111.2Y409 R430T403-Y409 CarbonylContact C-O 3.51Å; T403-Y409 VanDerWaalsContact CA-O 3.32Å; T403-Y409 WeakPolarHBondContact CA-O 3.44Å; T403-R430 WeakPolarHBondContact CB-O 3.21Å; T403-R430 PolarHBondContact N-O 3.44Å; T403-R430 PolarHBondContact O-N 2.85Å
404C93Very high89Confident0 Ų045.3 Ų45.30%023%0.234CC..  trans-59.9127.5178.5-179.80000111.1H406 C407 S408 Y409 A412 C417C404-H406 PolarHBondContact O-N 2.97Å; C404-H406 VanDerWaalsContact O-N 3.13Å; C404-H406 PolarHBondContact SG-N 3.36Å; C404-C407 VanDerWaalsContact SG-SG 3.65Å; C404-S408 WeakPolarHBondContact O-CA 3.38Å; C404-S408 PolarHBondContact O-N 2.95Å; C404-S408 VanDerWaalsContact O-N 3.08Å; C404-Y409 PolarHBondContact N-O 3Å; C404-A412 HydrophobicContact CB-CB 3.81Å; C404-C417 HydrophobicContact CB-CB 4.18Å; C404-C417 VanDerWaalsContact SG-SG 3.68Å
405P94.3Very high88.3Confident27 Ų2746.3 Ų46.318%0.17524%0.241CC..THydrogen-bonded Turntrans-68.9-12.6-17928.4-36.2000113.8I424 E428 R430P405-I424 HydrophobicContact CG-CG2 4.47Å; P405-E428 HydrophobicContact CG-CB 4.35Å; P405-E428 WeakPolarHBondContact CG-O 3.46Å; P405-R430 PolarHBondContact O-NH2 2.94Å
406H92.8Very high87.8Confident97 Ų9748.5 Ų48.545%0.44925%0.251SS..THydrogen-bonded Turntrans-106.8-40.2-173.5-61.5-60.3000114.7C404 R422C404-H406 PolarHBondContact O-N 2.97Å; C404-H406 VanDerWaalsContact O-N 3.13Å; C404-H406 PolarHBondContact SG-N 3.36Å; H406-R422 WeakPolarHBondContact CD2-CD 3.32Å; H406-R422 PolarHBondContact CE1-NH1 3.05Å; H406-R422 PolarHBondContact ND1-NH1 3.46Å; H406-R422 WeakPolarHBondContact NE2-CD 3.31Å
407C93.8Very high87.9Confident41 Ų4146.7 Ų46.728%0.27724%0.236SC..THydrogen-bonded Turntrans-121.75.4-177.271.90000113.6C404 Y409 C420C404-C407 VanDerWaalsContact SG-SG 3.65Å; C407-Y409 PolarHBondContact O-N 3.01Å; C407-Y409 VanDerWaalsContact O-N 3.15Å; C407-C420 HydrophobicContact CB-CB 3.99Å; C407-C420 VanDerWaalsContact SG-SG 3.61Å
408S95Very high88Confident78 Ų7847.4 Ų47.455%0.54524%0.24SC..  trans56.426.3-179.7-51.10000114.4C404C404-S408 WeakPolarHBondContact O-CA 3.38Å; C404-S408 PolarHBondContact O-N 2.95Å; C404-S408 VanDerWaalsContact O-N 3.08Å
409Y93.5Very high88.3Confident61 Ų6148.1 Ų48.124%0.23925%0.247CC..  trans-68.7121.1171.1-179.2-123.9000109.8T403 C404 C407 E411 A412 K419T403-Y409 CarbonylContact C-O 3.51Å; T403-Y409 VanDerWaalsContact CA-O 3.32Å; T403-Y409 WeakPolarHBondContact CA-O 3.44Å; C404-Y409 PolarHBondContact N-O 3Å; C407-Y409 PolarHBondContact O-N 3.01Å; C407-Y409 VanDerWaalsContact O-N 3.15Å; Y409-E411 VanDerWaalsContact C-N 3.29Å; Y409-E411 VanDerWaalsContact CE1-C 3.47Å; Y409-E411 HydrophobicContact CE1-CB 3.96Å; Y409-E411 WeakPolarHBondContact CE1-O 3.36Å; Y409-E411 PolarHBondContact O-N 3.18Å; Y409-A412 HydrophobicContact CD1-CB 4.22Å; Y409-K419 HydrophobicContact CD1-CB 3.91Å; Y409-K419 HydrophobicContact CD2-CB 3.88Å; Y409-K419 HydrophobicContact CD2-CD 3.67Å; Y409-K419 HydrophobicContact CD2-CG 4.35Å; Y409-K419 HydrophobicContact CE1-CB 4.44Å; Y409-K419 HydrophobicContact CE2-CB 4.44Å; Y409-K419 HydrophobicContact CG-CB 3.6Å; Y409-K419 HydrophobicContact CG-CD 3.95Å; Y409-K419 HydrophobicContact CG-CG 4.41Å
410P92Very high88.3Confident78 Ų7849.4 Ų49.451%0.50626%0.259SS..THydrogen-bonded Turntrans-73.3-15.7-168.927.9-36000114.9G402G402-P410 CarbonylContact C-O 3.48Å; G402-P410 CarbonylContact O-C 3.35Å; G402-P410 VanDerWaalsContact O-O 3.07Å
411E91.6Very high87.5Confident116 Ų11651.4 Ų51.454%0.54228%0.28SS..THydrogen-bonded Turntrans-118.834.9-173.3-64.7173.4-150.400111.7Y409Y409-E411 VanDerWaalsContact C-N 3.29Å; Y409-E411 VanDerWaalsContact CE1-C 3.47Å; Y409-E411 HydrophobicContact CE1-CB 3.96Å; Y409-E411 WeakPolarHBondContact CE1-O 3.36Å; Y409-E411 PolarHBondContact O-N 3.18Å
412A89.8Confident86.6Confident0 Ų056.2 Ų56.20%030%0.296CS..EExtended strand (participates in β ladder)trans-68.2143.8174.400000111E401 G402 C404 Y409 C417 I424 L429E401-A412 CarbonylContact C-O 3.58Å; E401-A412 WeakPolarHBondContact CA-O 3.47Å; G402-A412 PolarHBondContact N-O 3.34Å; G402-A412 WeakPolarHBondContact O-CA 3.49Å; G402-A412 WeakPolarHBondContact O-CB 3.41Å; G402-A412 PolarHBondContact O-N 3.38Å; C404-A412 HydrophobicContact CB-CB 3.81Å; Y409-A412 HydrophobicContact CD1-CB 4.22Å; A412-C417 HydrophobicContact CB-CB 3.96Å; A412-I424 HydrophobicContact CB-CD1 4.37Å; A412-L429 HydrophobicContact CB-CD2 3.79Å
413R87.4Confident85.4Confident64 Ų6462.3 Ų62.324%0.24233%0.327CS..EExtended strand (participates in β ladder)trans-84.5160.3176.2-58.5-176.3-75.3120.4-5109.9D415 Q416 D418R413-D415 VanDerWaalsContact CB-OD1 3.23Å; R413-D415 WeakPolarHBondContact CB-OD1 3.39Å; R413-D415 IonicContact CZ-OD1 2.72Å; R413-D415 IonicContact CZ-OD2 3.45Å; R413-D415 IonicContact NH1-OD1 2.89Å; R413-D415 PolarHBondContact NH1-OD1 2.74Å; R413-D415 VanDerWaalsContact NH1-OD1 3.1Å; R413-D415 IonicContact NH1-OD2 3.46Å; R413-D415 PolarHBondContact NH1-OD2 3.19Å; R413-D415 PolarHBondContact O-N 2.85Å; R413-D415 VanDerWaalsContact O-N 3.14Å; R413-Q416 WeakPolarHBondContact CB-O 3.46Å; R413-Q416 PolarHBondContact N-O 3.25Å; R413-Q416 VanDerWaalsContact N-O 3.13Å; R413-Q416 PolarHBondContact O-N 3.04Å; R413-D418 IonicContact CZ-OD1 3.13Å; R413-D418 IonicContact CZ-OD2 2.73Å; R413-D418 IonicContact NE-OD1 2.72Å; R413-D418 PolarHBondContact NE-OD1 3.08Å; R413-D418 IonicContact NE-OD2 3.28Å; R413-D418 PolarHBondContact NE-OD2 3.25Å; R413-D418 IonicContact NH2-OD1 2.81Å; R413-D418 PolarHBondContact NH2-OD1 2.88Å; R413-D418 IonicContact NH2-OD2 3.51Å
414G83.8Confident84.8Confident0 Ų061.4 Ų61.40%032%0.321CS..SBendtrans-61.5-20.1-178.800000115.3D397 V400 N425 A426D397-G414 PolarHBondContact O-N 3.2Å; V400-G414 PolarHBondContact O-N 2.83Å; G414-N425 CarbonylContact O-C 3.5Å; G414-N425 VanDerWaalsContact O-C 3.29Å; G414-A426 VanDerWaalsContact O-CA 3.3Å; G414-A426 WeakPolarHBondContact O-CA 3.27Å; G414-A426 PolarHBondContact O-N 3.08Å
415D72.5Confident84.4Confident54 Ų5466.1 Ų66.129%0.28935%0.346SS..SBendtrans-104.6-30.4-176.957.7-42.9000112.9D397 R413 L423 I424D397-D415 HydrophobicContact CB-CB 3.84Å; R413-D415 VanDerWaalsContact CB-OD1 3.23Å; R413-D415 WeakPolarHBondContact CB-OD1 3.39Å; R413-D415 IonicContact CZ-OD1 2.72Å; R413-D415 IonicContact CZ-OD2 3.45Å; R413-D415 IonicContact NH1-OD1 2.89Å; R413-D415 PolarHBondContact NH1-OD1 2.74Å; R413-D415 VanDerWaalsContact NH1-OD1 3.1Å; R413-D415 IonicContact NH1-OD2 3.46Å; R413-D415 PolarHBondContact NH1-OD2 3.19Å; R413-D415 PolarHBondContact O-N 2.85Å; R413-D415 VanDerWaalsContact O-N 3.14Å; D415-L423 WeakPolarHBondContact O-CA 3.38Å; D415-I424 CarbonylContact C-O 3.55Å; D415-I424 PolarHBondContact O-N 2.74Å; D415-I424 VanDerWaalsContact O-N 3.15Å
416Q73.1Confident84.1Confident59 Ų5965.2 Ų65.228%0.27634%0.341SS..BIsolated β-bridgetrans-158.4140.5-172.2-171.8175.130.400111.8R413 G421 L423R413-Q416 WeakPolarHBondContact CB-O 3.46Å; R413-Q416 PolarHBondContact N-O 3.25Å; R413-Q416 VanDerWaalsContact N-O 3.13Å; R413-Q416 PolarHBondContact O-N 3.04Å; Q416-G421 PolarHBondContact NE2-O 3.1Å; Q416-G421 VanDerWaalsContact NE2-O 3.12Å; Q416-L423 HydrophobicContact CB-CD2 4.05Å; Q416-L423 HydrophobicContact CG-CD2 4.04Å
417C83.6Confident84Confident0 Ų062.8 Ų62.80%033%0.333CS..  trans-88.1115.1166.9177.70000110.7C404 A412 K419 C420 G421 R422C404-C417 HydrophobicContact CB-CB 4.18Å; C404-C417 VanDerWaalsContact SG-SG 3.68Å; A412-C417 HydrophobicContact CB-CB 3.96Å; C417-K419 PolarHBondContact O-N 3.36Å; C417-C420 PolarHBondContact O-N 3.33Å; C417-G421 VanDerWaalsContact O-CA 3.23Å; C417-G421 WeakPolarHBondContact O-CA 3.36Å; C417-G421 PolarHBondContact O-N 3.43Å; C417-R422 PolarHBondContact N-O 2.98Å
418D80.6Confident83.9Confident89 Ų8964.8 Ų64.848%0.47634%0.338SS..THydrogen-bonded Turntrans-68-19.9-178.1-64.8-42.3000113.4R413R413-D418 IonicContact CZ-OD1 3.13Å; R413-D418 IonicContact CZ-OD2 2.73Å; R413-D418 IonicContact NE-OD1 2.72Å; R413-D418 PolarHBondContact NE-OD1 3.08Å; R413-D418 IonicContact NE-OD2 3.28Å; R413-D418 PolarHBondContact NE-OD2 3.25Å; R413-D418 IonicContact NH2-OD1 2.81Å; R413-D418 PolarHBondContact NH2-OD1 2.88Å; R413-D418 IonicContact NH2-OD2 3.51Å
419K82.4Confident83.7Confident144 Ų14461.6 Ų61.663%0.62632%0.315SS*.THydrogen-bonded Turntrans-79-43.7177.9-173.3178-176.4-179.10113.5Y409 C417Y409-K419 HydrophobicContact CD1-CB 3.91Å; Y409-K419 HydrophobicContact CD2-CB 3.88Å; Y409-K419 HydrophobicContact CD2-CD 3.67Å; Y409-K419 HydrophobicContact CD2-CG 4.35Å; Y409-K419 HydrophobicContact CE1-CB 4.44Å; Y409-K419 HydrophobicContact CE2-CB 4.44Å; Y409-K419 HydrophobicContact CG-CB 3.6Å; Y409-K419 HydrophobicContact CG-CD 3.95Å; Y409-K419 HydrophobicContact CG-CG 4.41Å; C417-K419 PolarHBondContact O-N 3.36Å
420C83.9Confident83.8Confident59 Ų5965.3 Ų65.340%0.39933%0.329SS..THydrogen-bonded Turntrans-108.6-2.4-177.569.20000113.8C407 C417 R422C407-C420 HydrophobicContact CB-CB 3.99Å; C407-C420 VanDerWaalsContact SG-SG 3.61Å; C417-C420 PolarHBondContact O-N 3.33Å; C420-R422 PolarHBondContact O-N 2.83Å; C420-R422 VanDerWaalsContact O-N 3.14Å
421G71.8Confident83.9Confident42 Ų4268.8 Ų68.843%0.43334%0.338SS..  trans72.7-4.5177.700000115.3Q416 C417Q416-G421 PolarHBondContact NE2-O 3.1Å; Q416-G421 VanDerWaalsContact NE2-O 3.12Å; C417-G421 VanDerWaalsContact O-CA 3.23Å; C417-G421 WeakPolarHBondContact O-CA 3.36Å; C417-G421 PolarHBondContact O-N 3.43Å
422R73.6Confident84Confident138 Ų13864.2 Ų64.252%0.52132%0.318SS..  trans-72.5132.4-174.4-171.4173.4-90.2-161.3-4111H406 C417 C420 I424H406-R422 WeakPolarHBondContact CD2-CD 3.32Å; H406-R422 PolarHBondContact CE1-NH1 3.05Å; H406-R422 PolarHBondContact ND1-NH1 3.46Å; H406-R422 WeakPolarHBondContact NE2-CD 3.31Å; C417-R422 PolarHBondContact N-O 2.98Å; C420-R422 PolarHBondContact O-N 2.83Å; C420-R422 VanDerWaalsContact O-N 3.14Å; R422-I424 HydrophobicContact CG-CG2 4.48Å
423L69.6Low84.3Confident133 Ų13368.1 Ų68.170%0.69634%0.336SS*.BIsolated β-bridgetrans-73.4133.1169.5-59.6176.4000109.1D415 Q416D415-L423 WeakPolarHBondContact O-CA 3.38Å; Q416-L423 HydrophobicContact CB-CD2 4.05Å; Q416-L423 HydrophobicContact CG-CD2 4.04Å
424I83.9Confident84.6Confident9 Ų965 Ų655%0.04633%0.325CS..  trans-136.7158.4-177.355.5177.7000108.5P405 A412 D415 R422 L429P405-I424 HydrophobicContact CG-CG2 4.47Å; A412-I424 HydrophobicContact CB-CD1 4.37Å; D415-I424 CarbonylContact C-O 3.55Å; D415-I424 PolarHBondContact O-N 2.74Å; D415-I424 VanDerWaalsContact O-N 3.15Å; R422-I424 HydrophobicContact CG-CG2 4.48Å; I424-L429 HydrophobicContact CD1-CD2 3.47Å; I424-L429 VanDerWaalsContact CD1-CD2 3.47Å; I424-L429 HydrophobicContact CD1-CG 4.09Å
425N83.9Confident84.7Confident100 Ų10068.3 Ų68.354%0.53534%0.339SS..  trans-89.4145.6167.8-61.8-63.1000109.6G414 V427 E428G414-N425 CarbonylContact O-C 3.5Å; G414-N425 VanDerWaalsContact O-C 3.29Å; N425-V427 HydrophobicContact CB-CG2 4.1Å; N425-V427 PolarHBondContact O-N 3.47Å; N425-V427 VanDerWaalsContact O-N 3.11Å; N425-E428 HydrophobicContact CB-CG 4.11Å; N425-E428 PolarHBondContact N-OE2 2.83Å; N425-E428 PolarHBondContact ND2-OE1 2.92Å; N425-E428 VanDerWaalsContact O-CB 3.27Å; N425-E428 WeakPolarHBondContact O-CB 3.2Å; N425-E428 PolarHBondContact O-N 3.42Å
426A86.8Confident85.3Confident8 Ų869.1 Ų69.17%0.06635%0.346CS..G310 helixtrans-59.3-31.7-174.900000113.2L386 D397 V400 G414 E428 L429L386-A426 HydrophobicContact CD1-CB 4.07Å; L386-A426 WeakPolarHBondContact CD1-O 3.46Å; D397-A426 WeakPolarHBondContact OD1-CB 3.45Å; V400-A426 HydrophobicContact CB-CB 4.37Å; V400-A426 HydrophobicContact CG1-CB 4.44Å; V400-A426 HydrophobicContact CG2-CB 4.28Å; G414-A426 VanDerWaalsContact O-CA 3.3Å; G414-A426 WeakPolarHBondContact O-CA 3.27Å; G414-A426 PolarHBondContact O-N 3.08Å; A426-E428 PolarHBondContact O-N 3.15Å; A426-L429 WeakPolarHBondContact O-CB 3.48Å; A426-L429 PolarHBondContact O-N 2.85Å
427V90.9Very high86.1Confident45 Ų4567.9 Ų67.927%0.27334%0.343SS..G310 helixtrans-66.4-17.2175.6-62.70000113.8E384 L386 N425 I443E384-V427 HydrophobicContact CB-CG1 4.44Å; L386-V427 HydrophobicContact CG-CG1 4.32Å; N425-V427 HydrophobicContact CB-CG2 4.1Å; N425-V427 PolarHBondContact O-N 3.47Å; N425-V427 VanDerWaalsContact O-N 3.11Å; V427-I443 HydrophobicContact CB-CD1 4.26Å; V427-I443 HydrophobicContact CG1-CG1 4.41Å; V427-I443 HydrophobicContact CG1-CG2 4.49Å
428E91.3Very high86.6Confident83 Ų8374.7 Ų74.739%0.38837%0.369SS..G310 helixtrans-85.8-11.5177.9-59.6168.2-16800112.7P405 N425 A426P405-E428 HydrophobicContact CG-CB 4.35Å; P405-E428 WeakPolarHBondContact CG-O 3.46Å; N425-E428 HydrophobicContact CB-CG 4.11Å; N425-E428 PolarHBondContact N-OE2 2.83Å; N425-E428 PolarHBondContact ND2-OE1 2.92Å; N425-E428 VanDerWaalsContact O-CB 3.27Å; N425-E428 WeakPolarHBondContact O-CB 3.2Å; N425-E428 PolarHBondContact O-N 3.42Å; A426-E428 PolarHBondContact O-N 3.15Å
429L92.8Very high87.2Confident11 Ų1175.9 Ų75.96%0.05837%0.372CS..  trans-64.5136.2177.1-74.8173.2000110.7V400 A412 I424 A426 P432V400-L429 HydrophobicContact CB-CD1 4.47Å; V400-L429 HydrophobicContact CG1-CD1 3.64Å; A412-L429 HydrophobicContact CB-CD2 3.79Å; I424-L429 HydrophobicContact CD1-CD2 3.47Å; I424-L429 VanDerWaalsContact CD1-CD2 3.47Å; I424-L429 HydrophobicContact CD1-CG 4.09Å; A426-L429 WeakPolarHBondContact O-CB 3.48Å; A426-L429 PolarHBondContact O-N 2.85Å; L429-P432 HydrophobicContact CB-CB 4.38Å
430R94.5Very high87.8Confident140 Ų14073.4 Ų73.453%0.52837%0.369SS..EExtended strand (participates in β ladder)trans-83.2139.2169.5-61.6-179.8-173.7173.44108.6T403 P405T403-R430 WeakPolarHBondContact CB-O 3.21Å; T403-R430 PolarHBondContact N-O 3.44Å; T403-R430 PolarHBondContact O-N 2.85Å; P405-R430 PolarHBondContact O-NH2 2.94Å
431E93.4Very high88.3Confident150 Ų15071 Ų7170%0.70135%0.352SS*.EExtended strand (participates in β ladder)trans51.153.3-179.3-57.5172.1171.300112.3
432P94.8Very high89.3Confident20 Ų2073.3 Ų73.313%0.1335%0.352CS..EExtended strand (participates in β ladder)trans-61.4147-18028.6-33.9000109.9L386 V400 E401 L429 T440 P441L386-P432 HydrophobicContact CD1-CB 3.83Å; L386-P432 HydrophobicContact CD1-CG 4.31Å; L386-P432 HydrophobicContact CD2-CG 4.19Å; V400-P432 HydrophobicContact CG1-CB 3.98Å; E401-P432 CarbonylContact O-C 3.51Å; E401-P432 WeakPolarHBondContact O-CA 3.35Å; L429-P432 HydrophobicContact CB-CB 4.38Å; P432-T440 WeakPolarHBondContact O-CA 3.11Å; P432-P441 VanDerWaalsContact C-CD 3.49Å; P432-P441 HydrophobicContact CB-CG 3.92Å; P432-P441 HydrophobicContact CG-CG 4.15Å; P432-P441 WeakPolarHBondContact O-CD 3.46Å
433Q95.3Very high90.2Very high82 Ų8270.7 Ų70.738%0.38335%0.347SS..EExtended strand (participates in β ladder)trans-133.5140176.5-71.6-171.5-000109.9E401 K435E401-Q433 PolarHBondContact N-O 3.03Å; E401-Q433 PolarHBondContact O-N 3.27Å; Q433-K435 PolarHBondContact O-N 2.63Å
434C93.3Very high91.2Very high0 Ų070.1 Ų70.10%034%0.336CS..EExtended strand (participates in β ladder)trans-72120.9169.8-175.70000109.8C388 L395 F399 V436 R438 Q439C388-C434 HydrophobicContact CB-CB 4.34Å; L395-C434 HydrophobicContact CD1-CB 3.79Å; L395-C434 VanDerWaalsContact CD2-SG 3.6Å; F399-C434 WeakPolarHBondContact O-CA 3.42Å; C434-V436 PolarHBondContact O-N 3.2Å; C434-R438 WeakPolarHBondContact O-CA 3.49Å; C434-R438 PolarHBondContact O-N 2.72Å; C434-Q439 WeakPolarHBondContact CB-O 3.36Å; C434-Q439 PolarHBondContact N-O 3.03Å
435K87.3Confident91.5Very high68 Ų6873.6 Ų73.630%0.29636%0.361SS..THydrogen-bonded Turntrans-59.5-21.3175.7-69.9-153.9-164.6-150.10113.9R398 F399 E401 Q433R398-K435 WeakPolarHBondContact O-CD 3.24Å; R398-K435 WeakPolarHBondContact O-CE 3.4Å; F399-K435 PolarHBondContact O-N 3.39Å; E401-K435 HydrophobicContact CB-CG 4.2Å; E401-K435 VanDerWaalsContact CD-CE 3.4Å; E401-K435 HydrophobicContact CG-CD 4.33Å; E401-K435 HydrophobicContact CG-CG 4.21Å; E401-K435 WeakPolarHBondContact OE1-CD 3.37Å; E401-K435 WeakPolarHBondContact OE1-CE 3.28Å; E401-K435 IonicContact OE1-NZ 3.63Å; E401-K435 PolarHBondContact OE1-NZ 3.38Å; Q433-K435 PolarHBondContact O-N 2.63Å
436V85Confident91.7Very high71 Ų7169.1 Ų69.143%0.4334%0.338SS..THydrogen-bonded Turntrans-83.5-52.2-175.71790000112.3F399 C434F399-V436 HydrophobicContact CD1-CG2 4.21Å; C434-V436 PolarHBondContact O-N 3.2Å
437C90.5Very high91.9Very high33 Ų3373.2 Ų73.222%0.22335%0.354CS..THydrogen-bonded Turntrans-114.52.8-175.771.40000114C388 Q439C388-C437 PolarHBondContact SG-SG 3.19Å; C437-Q439 PolarHBondContact O-N 2.8Å
438R92.4Very high92.1Very high143 Ų14371.2 Ų71.254%0.5434%0.341SS..  trans59.211.1-179.1-57.9-63.9-173.3177.5-2.3115.7E401 C434E401-R438 IonicContact OE2-CZ 3.64Å; E401-R438 IonicContact OE2-NH1 2.95Å; E401-R438 PolarHBondContact OE2-NH1 2.86Å; C434-R438 WeakPolarHBondContact O-CA 3.49Å; C434-R438 PolarHBondContact O-N 2.72Å
439Q94.2Very high92.3Very high115 Ų11567.3 Ų67.354%0.53732%0.323SS..PPolyproline II helixtrans-81.9151.8174.4-65-66-21.900111.2N390 C434 C437 P441N390-Q439 HydrophobicContact CB-CG 4.17Å; C434-Q439 WeakPolarHBondContact CB-O 3.36Å; C434-Q439 PolarHBondContact N-O 3.03Å; C437-Q439 PolarHBondContact O-N 2.8Å; Q439-P441 WeakPolarHBondContact O-CD 3.45Å
440T94.4Very high92.5Very high92 Ų9268.2 Ų68.256%0.56433%0.327SS*.PPolyproline II helixtrans-71.5120.8174.1-59.20000109.9P432P432-T440 WeakPolarHBondContact O-CA 3.11Å
441P94.6Very high92.6Very high7 Ų761.6 Ų61.65%0.04530%0.302CS..PPolyproline II helixtrans-78.9154.3173.832.3-29000111.4L386 R387 L395 P432 Q439L386-P441 HydrophobicContact CB-CB 4.02Å; L386-P441 HydrophobicContact CB-CG 4.12Å; L386-P441 HydrophobicContact CD1-CG 4.13Å; L386-P441 HydrophobicContact CD2-CB 4.38Å; L386-P441 HydrophobicContact CD2-CG 4.14Å; L386-P441 HydrophobicContact CG-CG 4.37Å; R387-P441 CarbonylContact O-C 3.51Å; R387-P441 VanDerWaalsContact O-CA 3.27Å; R387-P441 WeakPolarHBondContact O-CA 3.44Å; R387-P441 WeakPolarHBondContact O-CB 3.29Å; L395-P441 HydrophobicContact CD1-CB 3.68Å; L395-P441 HydrophobicContact CD1-CG 3.85Å; P432-P441 VanDerWaalsContact C-CD 3.49Å; P432-P441 HydrophobicContact CB-CG 3.92Å; P432-P441 HydrophobicContact CG-CG 4.15Å; P432-P441 WeakPolarHBondContact O-CD 3.46Å; Q439-P441 WeakPolarHBondContact O-CD 3.45Å
442E93.1Very high92.8Very high91 Ų9155.3 Ų55.343%0.42527%0.273SS..EExtended strand (participates in β ladder)trans-102.1144.7177.6-63.4-177.2168.800110.6L386 R387 R444L386-E442 CarbonylContact C-O 3.39Å; L386-E442 WeakPolarHBondContact CA-O 3.48Å; R387-E442 PolarHBondContact N-O 3.45Å; R387-E442 PolarHBondContact O-N 2.84Å; E442-R444 PolarHBondContact O-N 3.48Å; E442-R444 IonicContact OE2-CZ 3.18Å; E442-R444 IonicContact OE2-NE 2.7Å; E442-R444 PolarHBondContact OE2-NE 3.5Å; E442-R444 IonicContact OE2-NH2 2.78Å; E442-R444 PolarHBondContact OE2-NH2 3.31Å
443I92.7Very high92.9Very high84 Ų8454.4 Ų54.443%0.43127%0.267SS..EExtended strand (participates in β ladder)trans-73122.7171.4-59.9173.7000108E384 L386 V427E384-I443 HydrophobicContact CB-CG2 3.99Å; E384-I443 HydrophobicContact CG-CG2 4.43Å; L386-I443 HydrophobicContact CD2-CG1 3.64Å; V427-I443 HydrophobicContact CB-CD1 4.26Å; V427-I443 HydrophobicContact CG1-CG1 4.41Å; V427-I443 HydrophobicContact CG1-CG2 4.49Å
444R89.9Confident93Very high121 Ų12153 Ų5346%0.45727%0.265SS..EExtended strand (participates in β ladder)trans-127.7135.5175.4-67-66.9-175.8-166.7-3.3109.4Q385 R387 F394 E442Q385-R444 PolarHBondContact N-O 3.05Å; Q385-R444 PolarHBondContact O-N 3.21Å; R387-R444 HydrophobicContact CB-CB 4.2Å; R387-R444 HydrophobicContact CB-CG 3.87Å; F394-R444 HydrophobicContact CE1-CB 3.85Å; F394-R444 HydrophobicContact CZ-CB 4.3Å; E442-R444 PolarHBondContact O-N 3.48Å; E442-R444 IonicContact OE2-CZ 3.18Å; E442-R444 IonicContact OE2-NE 2.7Å; E442-R444 PolarHBondContact OE2-NE 3.5Å; E442-R444 IonicContact OE2-NH2 2.78Å; E442-R444 PolarHBondContact OE2-NH2 3.31Å
445S89.9Confident93.2Very high82 Ų8258.3 Ų58.357%0.57329%0.288SS*.EExtended strand (participates in β ladder)trans-77.7127173.1-50.20000109.5
446S88.2Confident93.7Very high6 Ų655.1 Ų55.14%0.04228%0.275CS..EExtended strand (participates in β ladder)trans-122.7122.5-177.4-168.60000109.4V383 H448 D497 K512V383-S446 PolarHBondContact N-O 2.86Å; V383-S446 PolarHBondContact O-N 3.31Å; S446-H448 PolarHBondContact O-CD2 3.37Å; S446-D497 PolarHBondContact OG-OD1 3.43Å; S446-D497 PolarHBondContact OG-OD2 3.3Å; S446-D497 VanDerWaalsContact OG-OD2 3.07Å; S446-K512 PolarHBondContact OG-NZ 3.16Å
447K92.5Very high94.3Very high94 Ų9453.8 Ų53.841%0.40926%0.264SS..EExtended strand (participates in β ladder)trans-70.4139.6175.4-73.8-170.7178.2-170.10110.6D508 F509 K512K447-D508 IonicContact NZ-OD2 2.77Å; K447-D508 PolarHBondContact NZ-OD2 2.91Å; K447-F509 HydrophobicContact CB-CE1 4.19Å; K447-F509 HydrophobicContact CB-CZ 4.24Å; K447-F509 WeakPolarHBondContact O-CE1 3.33Å; K447-K512 WeakPolarHBondContact O-CE 3.13Å; K447-K512 PolarHBondContact O-NZ 3.44Å
448H93.9Very high94.6Very high2 Ų256.6 Ų56.61%0.00928%0.28CS..EExtended strand (participates in β ladder)trans-138.5146.2178.4-77.7-71.7000111.9E380 D381 S446 F450 T495 D497E380-H448 WeakPolarHBondContact CA-O 3.18Å; D381-H448 PolarHBondContact N-O 3.04Å; D381-H448 PolarHBondContact O-N 3.21Å; S446-H448 PolarHBondContact O-CD2 3.37Å; H448-F450 HydrophobicContact CB-CD2 4.35Å; H448-F450 HydrophobicContact CB-CE2 3.6Å; H448-F450 HydrophobicContact CB-CZ 4.19Å; H448-F450 WeakPolarHBondContact O-CD2 3.4Å; H448-T495 WeakPolarHBondContact CA-OG1 3.3Å; H448-T495 PolarHBondContact ND1-O 2.68Å; H448-T495 PolarHBondContact ND1-OG1 3.32Å; H448-D497 IonicContact CE1-OD2 2.91Å; H448-D497 PolarHBondContact CE1-OD2 2.95Å; H448-D497 IonicContact NE2-OD2 2.98Å; H448-D497 PolarHBondContact NE2-OD2 3.04Å
449L96.2Very high94.8Very high2 Ų253.1 Ų53.11%0.0127%0.269CS..EExtended strand (participates in β ladder)trans-92.7141.2168.9-67.2158000110.4F369 E380 C493 I494 T495 V504 F509F369-L449 HydrophobicContact CE2-CD1 3.76Å; F369-L449 HydrophobicContact CZ-CD1 3.94Å; E380-L449 HydrophobicContact CG-CD2 3.46Å; E380-L449 VanDerWaalsContact CG-CD2 3.46Å; E380-L449 HydrophobicContact CG-CG 4.45Å; L449-C493 WeakPolarHBondContact O-CA 3.38Å; L449-I494 HydrophobicContact CB-CD1 4.4Å; L449-I494 HydrophobicContact CB-CG1 4.04Å; L449-I494 WeakPolarHBondContact O-CG1 2.98Å; L449-I494 PolarHBondContact O-N 2.98Å; L449-T495 HydrophobicContact CB-CG2 3.87Å; L449-T495 HydrophobicContact CD1-CG2 4.16Å; L449-T495 HydrophobicContact CG-CG2 4.4Å; L449-T495 PolarHBondContact N-OG1 2.88Å; L449-T495 VanDerWaalsContact N-OG1 3.08Å; L449-V504 HydrophobicContact CD1-CG1 4.08Å; L449-F509 HydrophobicContact CD1-CD1 4.12Å; L449-F509 HydrophobicContact CD1-CD2 3.83Å; L449-F509 HydrophobicContact CD1-CE1 4.08Å; L449-F509 HydrophobicContact CD1-CE2 3.73Å; L449-F509 HydrophobicContact CD1-CG 4.05Å; L449-F509 HydrophobicContact CD1-CZ 3.9Å; L449-F509 HydrophobicContact CD2-CE2 4.17Å; L449-F509 HydrophobicContact CD2-CZ 4.06Å; L449-F509 HydrophobicContact CG-CD1 4.32Å; L449-F509 HydrophobicContact CG-CD2 4.38Å; L449-F509 HydrophobicContact CG-CE1 3.79Å; L449-F509 HydrophobicContact CG-CE2 3.82Å; L449-F509 HydrophobicContact CG-CZ 3.52Å
450F96.1Very high94.9Very high30 Ų3047.6 Ų47.613%0.13224%0.244CC..EExtended strand (participates in β ladder)trans-125.6137.6178.9-63-112000110L378 V379 D381 V383 H448 P491 R492 C493L378-F450 VanDerWaalsContact CA-O 3.32Å; L378-F450 WeakPolarHBondContact CA-O 2.92Å; V379-F450 HydrophobicContact CG2-CB 3.76Å; V379-F450 PolarHBondContact N-O 3.08Å; V379-F450 PolarHBondContact O-N 3.4Å; D381-F450 HydrophobicContact CB-CD2 4.02Å; D381-F450 HydrophobicContact CB-CE2 3.55Å; D381-F450 HydrophobicContact CB-CZ 4.18Å; V383-F450 HydrophobicContact CG2-CZ 4.03Å; H448-F450 HydrophobicContact CB-CD2 4.35Å; H448-F450 HydrophobicContact CB-CE2 3.6Å; H448-F450 HydrophobicContact CB-CZ 4.19Å; H448-F450 WeakPolarHBondContact O-CD2 3.4Å; F450-P491 HydrophobicContact CB-CB 4.09Å; F450-P491 HydrophobicContact CD1-CB 4.37Å; F450-R492 CarbonylContact C-O 3.52Å; F450-R492 WeakPolarHBondContact CA-O 3.19Å; F450-C493 VanDerWaalsContact CD1-CA 3.49Å; F450-C493 HydrophobicContact CD1-CB 3.72Å; F450-C493 VanDerWaalsContact CD1-N 3.26Å; F450-C493 HydrophobicContact CE1-CB 3.49Å; F450-C493 VanDerWaalsContact CE1-CB 3.49Å; F450-C493 HydrophobicContact CE2-CB 4.46Å; F450-C493 HydrophobicContact CG-CB 4.31Å; F450-C493 HydrophobicContact CZ-CB 3.88Å
451L97.3Very high95Very high0 Ų047.2 Ų47.20%024%0.235CC..EExtended strand (participates in β ladder)trans-76.9119.3166.6178.962.7000108.7L372 F377 L378 L453 L456 P491 R492 I494 S566L372-L451 HydrophobicContact CD1-CD1 4.16Å; L372-L451 HydrophobicContact CD2-CD1 4.03Å; F377-L451 HydrophobicContact CB-CD1 4.47Å; L378-L451 HydrophobicContact CD2-CD1 4.09Å; L451-L453 HydrophobicContact CD2-CD2 3.58Å; L451-L453 HydrophobicContact CG-CD2 3.85Å; L451-L453 HydrophobicContact CG-CG 4.42Å; L451-L453 PolarHBondContact O-N 3.48Å; L451-L456 HydrophobicContact CD1-CD1 4Å; L451-P491 VanDerWaalsContact O-CA 3.28Å; L451-P491 WeakPolarHBondContact O-CA 3.47Å; L451-R492 PolarHBondContact N-O 3.17Å; L451-R492 PolarHBondContact O-N 3.45Å; L451-I494 HydrophobicContact CB-CG2 3.73Å; L451-S566 WeakPolarHBondContact CD2-OG 3.25Å
452D97.6Very high95Very high18 Ų1850.9 Ų50.910%0.09626%0.255CS..  trans-78.670.9-179.1-165.2-9.6000110.5F377 V379 P454 K455F377-D452 WeakPolarHBondContact O-CB 3.32Å; F377-D452 PolarHBondContact O-N 3.5Å; V379-D452 HydrophobicContact CG1-CB 4.25Å; D452-P454 VanDerWaalsContact C-N 3.31Å; D452-P454 VanDerWaalsContact OD1-CD 3.32Å; D452-P454 WeakPolarHBondContact OD1-CD 3.25Å; D452-K455 HydrophobicContact CB-CD 4.44Å; D452-K455 PolarHBondContact O-N 3.2Å; D452-K455 WeakPolarHBondContact OD2-CD 3.47Å; D452-K455 WeakPolarHBondContact OD2-CE 3.26Å; D452-K455 WeakPolarHBondContact OD2-CG 3.29Å; D452-K455 IonicContact OD2-NZ 2.66Å; D452-K455 PolarHBondContact OD2-NZ 3.14Å
453L96.1Very high95.1Very high1 Ų147.6 Ų47.61%0.00524%0.239CC..Hα-helixtrans-52.5-39.1176.8-62.8-177.2000114L451 K455 L456 E457 L489 R492 V561 C565L451-L453 HydrophobicContact CD2-CD2 3.58Å; L451-L453 HydrophobicContact CG-CD2 3.85Å; L451-L453 HydrophobicContact CG-CG 4.42Å; L451-L453 PolarHBondContact O-N 3.48Å; L453-K455 VanDerWaalsContact C-N 3.27Å; L453-K455 PolarHBondContact O-N 3.35Å; L453-L456 CarbonylContact O-C 3.29Å; L453-L456 PolarHBondContact O-N 3.35Å; L453-E457 PolarHBondContact O-N 3.23Å; L453-L489 HydrophobicContact CB-CB 3.8Å; L453-L489 HydrophobicContact CB-CD1 4.17Å; L453-R492 HydrophobicContact CD1-CB 4.39Å; L453-R492 HydrophobicContact CD1-CG 3.54Å; L453-R492 HydrophobicContact CG-CG 4.35Å; L453-V561 HydrophobicContact CD1-CG1 4.37Å; L453-C565 HydrophobicContact CD2-CB 3.63Å
454P97.7Very high95.2Very high53 Ų5344 Ų4434%0.34422%0.22SC..Hα-helixtrans-51.6-42.1175.3-25.528.5000114D452 L456 E457 L489 P491D452-P454 VanDerWaalsContact C-N 3.31Å; D452-P454 VanDerWaalsContact OD1-CD 3.32Å; D452-P454 WeakPolarHBondContact OD1-CD 3.25Å; P454-L456 PolarHBondContact O-N 3.01Å; P454-E457 WeakPolarHBondContact O-CB 3.38Å; P454-E457 PolarHBondContact O-N 3.16Å; P454-L489 WeakPolarHBondContact CG-O 3.45Å; P454-P491 HydrophobicContact CG-CG 4.21Å
455K97.9Very high95.2Very high112 Ų11245 Ų4549%0.48723%0.23SC..Hα-helixtrans-67.1-22.7178.2-75.6-174.5-176.3135.60113.7G376 F377 D452 L453G376-K455 PolarHBondContact O-NZ 2.91Å; F377-K455 HydrophobicContact CD1-CB 3.99Å; F377-K455 HydrophobicContact CD1-CD 4.43Å; F377-K455 HydrophobicContact CE1-CB 4.13Å; D452-K455 HydrophobicContact CB-CD 4.44Å; D452-K455 PolarHBondContact O-N 3.2Å; D452-K455 WeakPolarHBondContact OD2-CD 3.47Å; D452-K455 WeakPolarHBondContact OD2-CE 3.26Å; D452-K455 WeakPolarHBondContact OD2-CG 3.29Å; D452-K455 IonicContact OD2-NZ 2.66Å; D452-K455 PolarHBondContact OD2-NZ 3.14Å; L453-K455 VanDerWaalsContact C-N 3.27Å; L453-K455 PolarHBondContact O-N 3.35Å
456L97.8Very high95.1Very high1 Ų149 Ų491%0.00523%0.232CC..Hα-helixtrans-97.7-8.8-177.7-69.1163.3000112.6F377 L451 L453 P454 T458 Q459 L460 C565F377-L456 HydrophobicContact CB-CD1 4.24Å; F377-L456 HydrophobicContact CD1-CD1 4.14Å; F377-L456 HydrophobicContact CD1-CD2 3.71Å; F377-L456 HydrophobicContact CD1-CG 3.7Å; F377-L456 HydrophobicContact CD2-CD2 4.1Å; F377-L456 HydrophobicContact CE1-CD2 3.52Å; F377-L456 HydrophobicContact CE1-CG 3.91Å; F377-L456 HydrophobicContact CE2-CD2 3.91Å; F377-L456 HydrophobicContact CG-CD1 4.13Å; F377-L456 HydrophobicContact CG-CD2 4.01Å; F377-L456 HydrophobicContact CG-CG 4.13Å; F377-L456 HydrophobicContact CZ-CD2 3.64Å; F377-L456 HydrophobicContact CZ-CG 4.5Å; L451-L456 HydrophobicContact CD1-CD1 4Å; L453-L456 CarbonylContact O-C 3.29Å; L453-L456 PolarHBondContact O-N 3.35Å; P454-L456 PolarHBondContact O-N 3.01Å; L456-T458 PolarHBondContact O-N 2.79Å; L456-Q459 PolarHBondContact O-N 2.97Å; L456-Q459 VanDerWaalsContact O-N 3.15Å; L456-L460 PolarHBondContact O-N 2.97Å; L456-C565 HydrophobicContact CB-CB 4.19Å; L456-C565 HydrophobicContact CD1-CB 3.93Å; L456-C565 WeakPolarHBondContact CD1-O 3.42Å
457E97.3Very high95.2Very high43 Ų4349 Ų4920%0.20123%0.233CC..Hα-helixtrans-56.6-48.2-172.4-168.3168.8139.300112.3L453 P454 Q459 L460 E461 L485 L489L453-E457 PolarHBondContact O-N 3.23Å; P454-E457 WeakPolarHBondContact O-CB 3.38Å; P454-E457 PolarHBondContact O-N 3.16Å; E457-Q459 VanDerWaalsContact C-N 3.34Å; E457-Q459 PolarHBondContact O-N 2.89Å; E457-L460 WeakPolarHBondContact O-CB 3.48Å; E457-L460 PolarHBondContact O-N 3.5Å; E457-L460 VanDerWaalsContact O-N 3.16Å; E457-E461 WeakPolarHBondContact O-CG 3.39Å; E457-E461 PolarHBondContact O-N 2.88Å; E457-L485 HydrophobicContact CG-CD2 4.23Å; E457-L489 HydrophobicContact CB-CD1 4.11Å; E457-L489 HydrophobicContact CG-CD1 3.94Å; E457-L489 HydrophobicContact CG-CG 4.1Å; E457-L489 VanDerWaalsContact OE2-CB 3.3Å; E457-L489 WeakPolarHBondContact OE2-CB 3.2Å; E457-L489 WeakPolarHBondContact OE2-CG 3.46Å; E457-L489 PolarHBondContact OE2-N 3.21Å
458T96.3Very high94.9Very high91 Ų9145.8 Ų45.856%0.55822%0.221SC*.Hα-helixtrans-62.1-39.1178.8-51.80000112.9L456 L460 N462L456-T458 PolarHBondContact O-N 2.79Å; T458-L460 VanDerWaalsContact C-N 3.34Å; T458-N462 VanDerWaalsContact O-CG 3.23Å; T458-N462 PolarHBondContact O-N 3.05Å; T458-N462 VanDerWaalsContact O-N 3.15Å; T458-N462 PolarHBondContact O-ND2 3.07Å
459Q96.5Very high94.2Very high70 Ų7050.2 Ų50.233%0.32725%0.252SS..Hα-helixtrans-68.4-39.1177.5-67-178.654.300111.1L456 E457 W463 L568L456-Q459 PolarHBondContact O-N 2.97Å; L456-Q459 VanDerWaalsContact O-N 3.15Å; E457-Q459 VanDerWaalsContact C-N 3.34Å; E457-Q459 PolarHBondContact O-N 2.89Å; Q459-W463 PolarHBondContact O-N 3.44Å; Q459-W463 VanDerWaalsContact O-N 3.12Å; Q459-L568 HydrophobicContact CB-CD1 4.49Å
460L97.5Very high93.2Very high0 Ų054.9 Ų54.90%029%0.285CS..Hα-helixtrans-62.8-47.8175.9-178.773.1000111.3L456 E457 T458 N462 W463 L464 L485 L489 V561 P564 L568L456-L460 PolarHBondContact O-N 2.97Å; E457-L460 WeakPolarHBondContact O-CB 3.48Å; E457-L460 PolarHBondContact O-N 3.5Å; E457-L460 VanDerWaalsContact O-N 3.16Å; T458-L460 VanDerWaalsContact C-N 3.34Å; L460-N462 PolarHBondContact O-N 2.91Å; L460-W463 HydrophobicContact CD1-CE3 3.73Å; L460-W463 HydrophobicContact CD1-CZ3 3.85Å; L460-W463 PolarHBondContact O-N 3.11Å; L460-W463 VanDerWaalsContact O-N 3.16Å; L460-L464 HydrophobicContact CD1-CD1 4.33Å; L460-L464 HydrophobicContact CD1-CG 4.44Å; L460-L464 HydrophobicContact CD2-CD1 4.18Å; L460-L464 HydrophobicContact CG-CD1 3.8Å; L460-L464 HydrophobicContact CG-CG 4.3Å; L460-L464 WeakPolarHBondContact O-CB 3.45Å; L460-L464 WeakPolarHBondContact O-CG 3.48Å; L460-L464 PolarHBondContact O-N 2.84Å; L460-L485 HydrophobicContact CD2-CD2 4Å; L460-L489 HydrophobicContact CD2-CD1 3.91Å; L460-V561 HydrophobicContact CD2-CB 4.23Å; L460-V561 HydrophobicContact CD2-CG1 3.84Å; L460-V561 HydrophobicContact CD2-CG2 4.28Å; L460-P564 HydrophobicContact CD1-CB 3.7Å; L460-L568 HydrophobicContact CD1-CD1 4.46Å
461E96.3Very high92.2Very high83 Ų8353.7 Ų53.739%0.38828%0.282SS..Hα-helixtrans-57.9-46.3177.9-73.4-175.9142.600111.8E457 W463 L464 E465 L485E457-E461 WeakPolarHBondContact O-CG 3.39Å; E457-E461 PolarHBondContact O-N 2.88Å; E461-W463 VanDerWaalsContact C-N 3.28Å; E461-W463 PolarHBondContact O-N 3.45Å; E461-L464 PolarHBondContact O-N 3.08Å; E461-E465 PolarHBondContact O-N 2.87Å; E461-L485 HydrophobicContact CG-CD1 4.13Å; E461-L485 HydrophobicContact CG-CD2 4.09Å
462N94.9Very high91.6Very high85 Ų8556.5 Ų56.546%0.45530%0.297SS..Hα-helixtrans-61.7-34.1177.2-72.3-24.7000112.9T458 L460 R466T458-N462 VanDerWaalsContact O-CG 3.23Å; T458-N462 PolarHBondContact O-N 3.05Å; T458-N462 VanDerWaalsContact O-N 3.15Å; T458-N462 PolarHBondContact O-ND2 3.07Å; L460-N462 PolarHBondContact O-N 2.91Å; N462-R466 PolarHBondContact O-NE 3.3Å
463W95.6Very high91.4Very high22 Ų2256.2 Ų56.28%0.08329%0.294CS..Hα-helixtrans-74.7-44.3173.2164.975.6000111.7Q459 L460 E461 E465 R466 S467 W473 P564 L568 L576 V577Q459-W463 PolarHBondContact O-N 3.44Å; Q459-W463 VanDerWaalsContact O-N 3.12Å; L460-W463 HydrophobicContact CD1-CE3 3.73Å; L460-W463 HydrophobicContact CD1-CZ3 3.85Å; L460-W463 PolarHBondContact O-N 3.11Å; L460-W463 VanDerWaalsContact O-N 3.16Å; E461-W463 VanDerWaalsContact C-N 3.28Å; E461-W463 PolarHBondContact O-N 3.45Å; W463-E465 VanDerWaalsContact C-N 3.34Å; W463-E465 PolarHBondContact O-N 3.48Å; W463-R466 PolarHBondContact O-N 2.98Å; W463-R466 VanDerWaalsContact O-N 3.15Å; W463-S467 PolarHBondContact O-N 3.16Å; W463-W473 AromaticContact CH2-CH2 3.88Å; W463-W473 HydrophobicContact CH2-CH2 3.88Å; W463-W473 AromaticContact CH2-CZ2 3.81Å; W463-W473 HydrophobicContact CH2-CZ2 3.81Å; W463-W473 HydrophobicContact CZ2-CZ2 4.18Å; W463-W473 HydrophobicContact CZ3-CH2 4.36Å; W463-P564 HydrophobicContact CE3-CB 4.04Å; W463-P564 HydrophobicContact CH2-CB 3.93Å; W463-P564 HydrophobicContact CH2-CG 3.61Å; W463-P564 HydrophobicContact CZ2-CG 4.45Å; W463-P564 HydrophobicContact CZ3-CB 3.62Å; W463-P564 HydrophobicContact CZ3-CG 3.68Å; W463-L568 HydrophobicContact CB-CD1 4.3Å; W463-L576 VanDerWaalsContact CD1-CD1 3.45Å; W463-L576 HydrophobicContact CD2-CD1 4.01Å; W463-L576 HydrophobicContact CG-CD1 3.79Å; W463-L576 HydrophobicContact CZ2-CB 3.85Å; W463-L576 VanDerWaalsContact NE1-CB 3.33Å; W463-V577 HydrophobicContact CH2-CG1 3.61Å; W463-V577 HydrophobicContact CZ2-CG1 3.61Å; W463-V577 WeakPolarHBondContact CZ2-O 3.38Å
464L94.4Very high91.4Very high9 Ų957.4 Ų57.45%0.04730%0.301CS..Hα-helixtrans-61.5-39.8179.7-78.7171000112.3L460 E461 R466 S467 T468 W473 T481 L485L460-L464 HydrophobicContact CD1-CD1 4.33Å; L460-L464 HydrophobicContact CD1-CG 4.44Å; L460-L464 HydrophobicContact CD2-CD1 4.18Å; L460-L464 HydrophobicContact CG-CD1 3.8Å; L460-L464 HydrophobicContact CG-CG 4.3Å; L460-L464 WeakPolarHBondContact O-CB 3.45Å; L460-L464 WeakPolarHBondContact O-CG 3.48Å; L460-L464 PolarHBondContact O-N 2.84Å; E461-L464 PolarHBondContact O-N 3.08Å; L464-R466 VanDerWaalsContact C-N 3.28Å; L464-R466 PolarHBondContact O-N 2.91Å; L464-S467 PolarHBondContact O-N 2.98Å; L464-T468 HydrophobicContact CD2-CG2 4.33Å; L464-T468 VanDerWaalsContact O-CB 3.28Å; L464-T468 WeakPolarHBondContact O-CB 3.42Å; L464-T468 VanDerWaalsContact O-CG2 3.31Å; L464-T468 WeakPolarHBondContact O-CG2 3.35Å; L464-T468 PolarHBondContact O-N 3.08Å; L464-T468 PolarHBondContact O-OG1 2.92Å; L464-W473 HydrophobicContact CD2-CH2 3.55Å; L464-W473 HydrophobicContact CD2-CZ2 4.23Å; L464-W473 HydrophobicContact CD2-CZ3 4.08Å; L464-T481 HydrophobicContact CD1-CG2 3.69Å; L464-T481 HydrophobicContact CD2-CG2 3.92Å; L464-T481 HydrophobicContact CG-CG2 4.49Å; L464-L485 HydrophobicContact CD1-CD1 3.65Å; L464-L485 HydrophobicContact CD1-CG 4.45Å
465E90Very high91.2Very high141 Ų14158.7 Ų58.766%0.65932%0.317SS*.Hα-helixtrans-59.5-41176.1-174171.2-157.100111.3E461 W463 S469E461-E465 PolarHBondContact O-N 2.87Å; W463-E465 VanDerWaalsContact C-N 3.34Å; W463-E465 PolarHBondContact O-N 3.48Å; E465-S469 WeakPolarHBondContact O-CB 3.44Å; E465-S469 PolarHBondContact O-N 2.87Å; E465-S469 PolarHBondContact O-OG 3.24Å
466R87.4Confident90.8Very high165 Ų16554.2 Ų54.262%0.62330%0.298SS*.Hα-helixtrans-72.4-48.9177-68.7-179.8-74.6165.9-1.1112.5N462 W463 L464 S469 S470N462-R466 PolarHBondContact O-NE 3.3Å; W463-R466 PolarHBondContact O-N 2.98Å; W463-R466 VanDerWaalsContact O-N 3.15Å; L464-R466 VanDerWaalsContact C-N 3.28Å; L464-R466 PolarHBondContact O-N 2.91Å; R466-S469 PolarHBondContact O-OG 3.27Å; R466-S470 PolarHBondContact O-N 3.49Å; R466-S470 PolarHBondContact O-OG 3.29Å
467S89.1Confident90.6Very high8 Ų854.2 Ų54.26%0.05630%0.298CS..Hα-helixtrans-67.7-40.7-177.1-179.10000112W463 L464 G471 W473 V577 S578W463-S467 PolarHBondContact O-N 3.16Å; L464-S467 PolarHBondContact O-N 2.98Å; S467-G471 VanDerWaalsContact O-CA 3.27Å; S467-G471 WeakPolarHBondContact O-CA 3.12Å; S467-G471 PolarHBondContact O-N 2.77Å; S467-W473 PolarHBondContact OG-NE1 2.92Å; S467-V577 PolarHBondContact OG-O 3.04Å; S467-S578 PolarHBondContact OG-O 2.85Å
468T86.8Confident90.5Very high25 Ų2554.6 Ų54.615%0.15330%0.299CS..Hα-helixtrans-81.5-16.7-177.5650000114.7L464 W473 K478L464-T468 HydrophobicContact CD2-CG2 4.33Å; L464-T468 VanDerWaalsContact O-CB 3.28Å; L464-T468 WeakPolarHBondContact O-CB 3.42Å; L464-T468 VanDerWaalsContact O-CG2 3.31Å; L464-T468 WeakPolarHBondContact O-CG2 3.35Å; L464-T468 PolarHBondContact O-N 3.08Å; L464-T468 PolarHBondContact O-OG1 2.92Å; T468-W473 HydrophobicContact CG2-CD2 3.86Å; T468-W473 HydrophobicContact CG2-CE3 3.94Å; T468-W473 HydrophobicContact CG2-CG 4.31Å; T468-W473 HydrophobicContact CG2-CH2 4.44Å; T468-W473 HydrophobicContact CG2-CZ2 4.34Å; T468-W473 HydrophobicContact CG2-CZ3 4.24Å; T468-K478 HydrophobicContact CG2-CG 4.45Å; T468-K478 PolarHBondContact O-NZ 3.15Å
469S79.6Confident90.3Very high96 Ų9657.1 Ų57.167%0.67131%0.305SS*.Hα-helixtrans-85.4-36.2175.3560000112.6E465 R466E465-S469 WeakPolarHBondContact O-CB 3.44Å; E465-S469 PolarHBondContact O-N 2.87Å; E465-S469 PolarHBondContact O-OG 3.24Å; R466-S469 PolarHBondContact O-OG 3.27Å
470S75.6Confident89.8Confident99 Ų9955.8 Ų55.869%0.69230%0.299SS*.Hα-helixtrans-92.9-28.7178.558.20000113.6R466R466-S470 PolarHBondContact O-N 3.49Å; R466-S470 PolarHBondContact O-OG 3.29Å
471G73.8Confident89.7Confident6 Ų656 Ų566%0.06230%0.301CS..SBendtrans-95.8147.2-175.800000115.2S467 W473S467-G471 VanDerWaalsContact O-CA 3.27Å; S467-G471 WeakPolarHBondContact O-CA 3.12Å; S467-G471 PolarHBondContact O-N 2.77Å; G471-W473 PolarHBondContact O-N 3.31Å
472D84.7Confident89.4Confident59 Ų5959.7 Ų59.732%0.31631%0.311SS..  trans-74.647174.5-60.8-66000113.9H579 I581D472-H579 PolarHBondContact N-ND1 3.39Å; D472-H579 IonicContact OD2-CE1 3.37Å; D472-H579 IonicContact OD2-ND1 3.72Å; D472-I581 WeakPolarHBondContact O-CD1 3.44Å
473W94.9Very high89Confident11 Ų1157.4 Ų57.44%0.04230%0.302CS..  trans-62.5140.2172.1-71.446.5000110.7W463 L464 S467 T468 G471 A477 K478 V577 S578 L580W463-W473 AromaticContact CH2-CH2 3.88Å; W463-W473 HydrophobicContact CH2-CH2 3.88Å; W463-W473 AromaticContact CH2-CZ2 3.81Å; W463-W473 HydrophobicContact CH2-CZ2 3.81Å; W463-W473 HydrophobicContact CZ2-CZ2 4.18Å; W463-W473 HydrophobicContact CZ3-CH2 4.36Å; L464-W473 HydrophobicContact CD2-CH2 3.55Å; L464-W473 HydrophobicContact CD2-CZ2 4.23Å; L464-W473 HydrophobicContact CD2-CZ3 4.08Å; S467-W473 PolarHBondContact OG-NE1 2.92Å; T468-W473 HydrophobicContact CG2-CD2 3.86Å; T468-W473 HydrophobicContact CG2-CE3 3.94Å; T468-W473 HydrophobicContact CG2-CG 4.31Å; T468-W473 HydrophobicContact CG2-CH2 4.44Å; T468-W473 HydrophobicContact CG2-CZ2 4.34Å; T468-W473 HydrophobicContact CG2-CZ3 4.24Å; G471-W473 PolarHBondContact O-N 3.31Å; W473-A477 HydrophobicContact CE3-CB 4.3Å; W473-K478 HydrophobicContact CB-CD 4.34Å; W473-K478 VanDerWaalsContact CB-CE 3.43Å; W473-K478 HydrophobicContact CB-CG 3.88Å; W473-K478 WeakPolarHBondContact O-CE 3.35Å; W473-V577 HydrophobicContact CH2-CG1 4.32Å; W473-V577 HydrophobicContact CZ2-CG1 3.84Å; W473-S578 VanDerWaalsContact CD1-O 3.25Å; W473-S578 PolarHBondContact NE1-O 3.35Å; W473-L580 WeakPolarHBondContact CA-O 3.31Å; W473-L580 HydrophobicContact CD2-CB 3.49Å; W473-L580 VanDerWaalsContact CD2-CB 3.49Å; W473-L580 HydrophobicContact CE3-CB 3.61Å; W473-L580 HydrophobicContact CE3-CD2 3.87Å; W473-L580 HydrophobicContact CE3-CG 4.35Å; W473-L580 HydrophobicContact CG-CB 3.97Å; W473-L580 HydrophobicContact CH2-CB 4.22Å; W473-L580 HydrophobicContact CH2-CD2 3.99Å; W473-L580 HydrophobicContact CZ2-CB 4.14Å; W473-L580 HydrophobicContact CZ3-CB 3.98Å; W473-L580 HydrophobicContact CZ3-CD2 3.54Å; W473-L580 HydrophobicContact CZ3-CG 4.41Å
474T95.3Very high88.6Confident26 Ų2660 Ų6016%0.1631%0.312CS..  trans-66.4151.2176.4540000111.6N476 A477 K478 L580 I581 A582T474-N476 VanDerWaalsContact C-N 3.34Å; T474-N476 WeakPolarHBondContact CB-OD1 3.35Å; T474-N476 PolarHBondContact O-N 2.65Å; T474-N476 PolarHBondContact OG1-OD1 3.37Å; T474-A477 PolarHBondContact O-N 3.09Å; T474-A477 WeakPolarHBondContact OG1-CB 3.36Å; T474-K478 PolarHBondContact O-N 2.83Å; T474-K478 VanDerWaalsContact O-N 3.08Å; T474-L580 PolarHBondContact N-O 3.35Å; T474-L580 VanDerWaalsContact N-O 3.13Å; T474-L580 PolarHBondContact OG1-O 2.92Å; T474-I581 HydrophobicContact CG2-CG2 4.14Å; T474-A582 PolarHBondContact OG1-N 3.19Å; T474-A582 PolarHBondContact OG1-O 2.94Å
475A93.2Very high88.4Confident81 Ų8160.9 Ų60.967%0.66932%0.316SS*.Hα-helixtrans-61.2-42.1-173.900000112.4K478 Q479A475-K478 PolarHBondContact O-N 3.22Å; A475-Q479 WeakPolarHBondContact O-CB 3.4Å; A475-Q479 PolarHBondContact O-N 3.31Å
476N89.3Confident88.4Confident18 Ų1862.7 Ų62.710%0.09632%0.317CS..Hα-helixtrans-60.1-43.6174.858.2-6.7000112.1T474 K478 Q479 I480 A582 E584T474-N476 VanDerWaalsContact C-N 3.34Å; T474-N476 WeakPolarHBondContact CB-OD1 3.35Å; T474-N476 PolarHBondContact O-N 2.65Å; T474-N476 PolarHBondContact OG1-OD1 3.37Å; N476-K478 PolarHBondContact O-N 3.14Å; N476-Q479 PolarHBondContact O-N 3.02Å; N476-I480 WeakPolarHBondContact O-CB 3.21Å; N476-I480 VanDerWaalsContact O-CG1 3.31Å; N476-I480 WeakPolarHBondContact O-CG1 3.37Å; N476-I480 PolarHBondContact O-N 3.4Å; N476-A582 PolarHBondContact ND2-O 3.45Å; N476-A582 PolarHBondContact OD1-O 2.75Å; N476-E584 VanDerWaalsContact CB-OE1 3.25Å; N476-E584 WeakPolarHBondContact CB-OE1 3.37Å; N476-E584 PolarHBondContact ND2-OE1 3.36Å
477A94.6Very high88.1Confident0 Ų059.8 Ų59.80%031%0.314CS..Hα-helixtrans-61.7-44.8177.300000111.7W473 T474 Q479 T481 V556 L580 A582W473-A477 HydrophobicContact CE3-CB 4.3Å; T474-A477 PolarHBondContact O-N 3.09Å; T474-A477 WeakPolarHBondContact OG1-CB 3.36Å; A477-Q479 VanDerWaalsContact C-N 3.34Å; A477-Q479 PolarHBondContact O-N 2.94Å; A477-T481 WeakPolarHBondContact O-CB 3.02Å; A477-T481 PolarHBondContact O-N 2.89Å; A477-T481 PolarHBondContact O-OG1 2.92Å; A477-V556 HydrophobicContact CB-CG1 4.26Å; A477-V556 HydrophobicContact CB-CG2 4.11Å; A477-L580 HydrophobicContact CB-CD2 4.15Å; A477-L580 HydrophobicContact CB-CG 4.33Å; A477-A582 HydrophobicContact CB-CB 3.94Å
478K94.5Very high88Confident52 Ų5261 Ų6123%0.22633%0.327CS..Hα-helixtrans-60.5-43.6174.5-66.4-173.8-173.7-1720111.3T468 W473 T474 A475 N476 R482T468-K478 HydrophobicContact CG2-CG 4.45Å; T468-K478 PolarHBondContact O-NZ 3.15Å; W473-K478 HydrophobicContact CB-CD 4.34Å; W473-K478 VanDerWaalsContact CB-CE 3.43Å; W473-K478 HydrophobicContact CB-CG 3.88Å; W473-K478 WeakPolarHBondContact O-CE 3.35Å; T474-K478 PolarHBondContact O-N 2.83Å; T474-K478 VanDerWaalsContact O-N 3.08Å; A475-K478 PolarHBondContact O-N 3.22Å; N476-K478 PolarHBondContact O-N 3.14Å; K478-R482 WeakPolarHBondContact O-CB 3.46Å; K478-R482 VanDerWaalsContact O-CG 3.28Å; K478-R482 WeakPolarHBondContact O-CG 3.43Å; K478-R482 PolarHBondContact O-N 2.63Å
479Q92.4Very high88.3Confident144 Ų14460.4 Ų60.467%0.67332%0.323SS*.Hα-helixtrans-66.5-47.2-178.8-178.2175.3-1100112.5A475 N476 A477 T481 R482 S483A475-Q479 WeakPolarHBondContact O-CB 3.4Å; A475-Q479 PolarHBondContact O-N 3.31Å; N476-Q479 PolarHBondContact O-N 3.02Å; A477-Q479 VanDerWaalsContact C-N 3.34Å; A477-Q479 PolarHBondContact O-N 2.94Å; Q479-T481 VanDerWaalsContact C-N 3.35Å; Q479-T481 PolarHBondContact O-N 2.97Å; Q479-R482 PolarHBondContact O-N 3.45Å; Q479-S483 PolarHBondContact O-N 2.98Å
480I86.8Confident88.7Confident42 Ų4262 Ų6222%0.21532%0.318CS..Hα-helixtrans-60.4-47.3178.4-69.3166.2000110N476 R482 S483 W484 K553 V556 P557N476-I480 WeakPolarHBondContact O-CB 3.21Å; N476-I480 VanDerWaalsContact O-CG1 3.31Å; N476-I480 WeakPolarHBondContact O-CG1 3.37Å; N476-I480 PolarHBondContact O-N 3.4Å; I480-R482 PolarHBondContact O-N 3Å; I480-S483 WeakPolarHBondContact O-CB 3.45Å; I480-S483 PolarHBondContact O-N 2.8Å; I480-S483 VanDerWaalsContact O-N 3.17Å; I480-W484 PolarHBondContact O-N 3.39Å; I480-W484 VanDerWaalsContact O-N 3.11Å; I480-K553 HydrophobicContact CD1-CB 3.93Å; I480-V556 HydrophobicContact CB-CG1 3.99Å; I480-V556 HydrophobicContact CD1-CB 4.42Å; I480-V556 HydrophobicContact CD1-CG2 4.39Å; I480-V556 HydrophobicContact CG2-CB 4.1Å; I480-V556 HydrophobicContact CG2-CG1 3.8Å; I480-P557 HydrophobicContact CG2-CG 3.95Å
481T93.8Very high89.6Confident5 Ų560 Ų603%0.03130%0.302CS..Hα-helixtrans-60.7-46179.6-53.90000111.8L464 A477 Q479 S483 W484 L485 S560 V561L464-T481 HydrophobicContact CD1-CG2 3.69Å; L464-T481 HydrophobicContact CD2-CG2 3.92Å; L464-T481 HydrophobicContact CG-CG2 4.49Å; A477-T481 WeakPolarHBondContact O-CB 3.02Å; A477-T481 PolarHBondContact O-N 2.89Å; A477-T481 PolarHBondContact O-OG1 2.92Å; Q479-T481 VanDerWaalsContact C-N 3.35Å; Q479-T481 PolarHBondContact O-N 2.97Å; T481-S483 VanDerWaalsContact C-N 3.3Å; T481-S483 PolarHBondContact O-N 3.03Å; T481-W484 PolarHBondContact O-N 3.37Å; T481-L485 PolarHBondContact O-N 3.49Å; T481-L485 VanDerWaalsContact O-N 3.11Å; T481-S560 WeakPolarHBondContact CG2-OG 3.18Å; T481-S560 WeakPolarHBondContact OG1-CB 3.44Å; T481-S560 PolarHBondContact OG1-OG 3.03Å; T481-V561 HydrophobicContact CG2-CG2 4.45Å
482R91.8Very high90.2Very high159 Ų15964.7 Ų64.760%0.632%0.318SS*.Hα-helixtrans-63-34.7176.3-75.2174.9-177.11630.7112.9K478 Q479 I480 R486K478-R482 WeakPolarHBondContact O-CB 3.46Å; K478-R482 VanDerWaalsContact O-CG 3.28Å; K478-R482 WeakPolarHBondContact O-CG 3.43Å; K478-R482 PolarHBondContact O-N 2.63Å; Q479-R482 PolarHBondContact O-N 3.45Å; I480-R482 PolarHBondContact O-N 3Å; R482-R486 VanDerWaalsContact O-CB 3.31Å; R482-R486 WeakPolarHBondContact O-CB 3.44Å; R482-R486 PolarHBondContact O-N 2.8Å
483S85.6Confident90.5Very high38 Ų3863.1 Ų63.127%0.26631%0.312SS..Hα-helixtrans-63.4-44.3175.3-1670000111Q479 I480 T481 L485 R486 D487Q479-S483 PolarHBondContact O-N 2.98Å; I480-S483 WeakPolarHBondContact O-CB 3.45Å; I480-S483 PolarHBondContact O-N 2.8Å; I480-S483 VanDerWaalsContact O-N 3.17Å; T481-S483 VanDerWaalsContact C-N 3.3Å; T481-S483 PolarHBondContact O-N 3.03Å; S483-L485 PolarHBondContact O-N 2.86Å; S483-R486 PolarHBondContact O-N 2.86Å; S483-R486 PolarHBondContact OG-NH2 2.88Å; S483-D487 PolarHBondContact O-N 3.48Å; S483-D487 VanDerWaalsContact O-N 3.13Å
484W86.9Confident90.5Very high77 Ų7762.8 Ų62.829%0.29231%0.311SS..Hα-helixtrans-62.1-41.4177.9-87.768000113I480 T481 P557 V561I480-W484 PolarHBondContact O-N 3.39Å; I480-W484 VanDerWaalsContact O-N 3.11Å; T481-W484 PolarHBondContact O-N 3.37Å; W484-P557 HydrophobicContact CD2-CB 3.99Å; W484-P557 HydrophobicContact CD2-CG 4.4Å; W484-P557 HydrophobicContact CE3-CB 4.4Å; W484-P557 HydrophobicContact CH2-CB 4.07Å; W484-P557 HydrophobicContact CZ2-CB 3.63Å; W484-P557 HydrophobicContact CZ2-CG 3.83Å; W484-P557 HydrophobicContact CZ3-CB 4.42Å; W484-V561 HydrophobicContact CB-CG2 4.38Å
485L90.6Very high90.5Very high26 Ų2661.6 Ų61.614%0.13630%0.303CS..Hα-helixtrans-66.5-46.3175.2-70.9174.8000112.2E457 L460 E461 L464 T481 S483 D487 G488 L489E457-L485 HydrophobicContact CG-CD2 4.23Å; L460-L485 HydrophobicContact CD2-CD2 4Å; E461-L485 HydrophobicContact CG-CD1 4.13Å; E461-L485 HydrophobicContact CG-CD2 4.09Å; L464-L485 HydrophobicContact CD1-CD1 3.65Å; L464-L485 HydrophobicContact CD1-CG 4.45Å; T481-L485 PolarHBondContact O-N 3.49Å; T481-L485 VanDerWaalsContact O-N 3.11Å; S483-L485 PolarHBondContact O-N 2.86Å; L485-D487 PolarHBondContact O-N 3.25Å; L485-G488 PolarHBondContact O-N 3Å; L485-L489 HydrophobicContact CD2-CD1 4.26Å; L485-L489 HydrophobicContact CD2-CD2 4.48Å; L485-L489 HydrophobicContact CD2-CG 4.37Å
486R90.1Very high90.2Very high179 Ų17960.8 Ų60.868%0.67528%0.283SS*.Hα-helixtrans-58-36.7-179.8-176.9-163.563.8-135.8-13112.3R482 S483 G488R482-R486 VanDerWaalsContact O-CB 3.31Å; R482-R486 WeakPolarHBondContact O-CB 3.44Å; R482-R486 PolarHBondContact O-N 2.8Å; S483-R486 PolarHBondContact O-N 2.86Å; S483-R486 PolarHBondContact OG-NH2 2.88Å; R486-G488 PolarHBondContact O-N 3.02Å
487D81.7Confident90.2Very high105 Ų10561.7 Ų61.756%0.56129%0.288SS*.THydrogen-bonded Turntrans-78-7.1-178.3-58.8-12.6000112.5S483 L485S483-D487 PolarHBondContact O-N 3.48Å; S483-D487 VanDerWaalsContact O-N 3.13Å; L485-D487 PolarHBondContact O-N 3.25Å
488G86.9Confident89.7Confident32 Ų3262.9 Ų62.933%0.3329%0.294SS..  trans80.4130.1-176.700000112.3L485 R486L485-G488 PolarHBondContact O-N 3Å; R486-G488 PolarHBondContact O-N 3.02Å
489L92.1Very high89.3Confident14 Ų1468 Ų687%0.07332%0.319CS..  trans-72.1147.2177.6-57.6-175.3000110.3L453 P454 E457 L460 L485 V561L453-L489 HydrophobicContact CB-CB 3.8Å; L453-L489 HydrophobicContact CB-CD1 4.17Å; P454-L489 WeakPolarHBondContact CG-O 3.45Å; E457-L489 HydrophobicContact CB-CD1 4.11Å; E457-L489 HydrophobicContact CG-CD1 3.94Å; E457-L489 HydrophobicContact CG-CG 4.1Å; E457-L489 VanDerWaalsContact OE2-CB 3.3Å; E457-L489 WeakPolarHBondContact OE2-CB 3.2Å; E457-L489 WeakPolarHBondContact OE2-CG 3.46Å; E457-L489 PolarHBondContact OE2-N 3.21Å; L460-L489 HydrophobicContact CD2-CD1 3.91Å; L485-L489 HydrophobicContact CD2-CD1 4.26Å; L485-L489 HydrophobicContact CD2-CD2 4.48Å; L485-L489 HydrophobicContact CD2-CG 4.37Å; L489-V561 HydrophobicContact CD1-CG1 3.8Å; L489-V561 HydrophobicContact CD2-CG1 3.73Å; L489-V561 HydrophobicContact CG-CG1 4.45Å
490K88.8Confident89.4Confident130 Ų13063.2 Ų63.257%0.56529%0.294SS*.  trans-123.5151.1179.4-62.4-176.3-177.1-178.30109.6R492K490-R492 PolarHBondContact O-N 3.24Å
491P93.9Very high89.7Confident56 Ų5661.8 Ų61.836%0.36429%0.29SS..  trans-53.5135.4171.8-25.335.2000111F450 L451 P454F450-P491 HydrophobicContact CB-CB 4.09Å; F450-P491 HydrophobicContact CD1-CB 4.37Å; L451-P491 VanDerWaalsContact O-CA 3.28Å; L451-P491 WeakPolarHBondContact O-CA 3.47Å; P454-P491 HydrophobicContact CG-CG 4.21Å
492R87.4Confident89.9Confident104 Ų10461.5 Ų61.539%0.39229%0.289SS..EExtended strand (participates in β ladder)trans-117126.2-178.8-67-58.1-173.4-152.42.8110.4F450 L451 L453 K490 I494F450-R492 CarbonylContact C-O 3.52Å; F450-R492 WeakPolarHBondContact CA-O 3.19Å; L451-R492 PolarHBondContact N-O 3.17Å; L451-R492 PolarHBondContact O-N 3.45Å; L453-R492 HydrophobicContact CD1-CB 4.39Å; L453-R492 HydrophobicContact CD1-CG 3.54Å; L453-R492 HydrophobicContact CG-CG 4.35Å; K490-R492 PolarHBondContact O-N 3.24Å; R492-I494 WeakPolarHBondContact O-CG2 3.47Å; R492-I494 PolarHBondContact O-N 3Å
493C90.8Very high90.2Very high27 Ų2756.8 Ų56.818%0.18228%0.279CS..EExtended strand (participates in β ladder)trans-65.2120.4178.5-178.50000110.9L449 F450 T495 R496 Y515L449-C493 WeakPolarHBondContact O-CA 3.38Å; F450-C493 VanDerWaalsContact CD1-CA 3.49Å; F450-C493 HydrophobicContact CD1-CB 3.72Å; F450-C493 VanDerWaalsContact CD1-N 3.26Å; F450-C493 HydrophobicContact CE1-CB 3.49Å; F450-C493 VanDerWaalsContact CE1-CB 3.49Å; F450-C493 HydrophobicContact CE2-CB 4.46Å; F450-C493 HydrophobicContact CG-CB 4.31Å; F450-C493 HydrophobicContact CZ-CB 3.88Å; C493-T495 PolarHBondContact SG-O 3.48Å; C493-R496 PolarHBondContact O-NH1 3.34Å; C493-R496 VanDerWaalsContact O-NH1 3.12Å; C493-R496 PolarHBondContact SG-NH1 3.49Å; C493-Y515 WeakPolarHBondContact O-CD1 3.37Å
494I94.4Very high90.8Very high4 Ų455.3 Ų55.32%0.02127%0.268CS..  trans-103.26.6-178.162.4166.6000113.2F369 L378 L449 L451 R492 F514 Y515 F518F369-I494 HydrophobicContact CD2-CD1 4.33Å; L378-I494 HydrophobicContact CD1-CD1 4.43Å; L378-I494 HydrophobicContact CD2-CD1 3.75Å; L449-I494 HydrophobicContact CB-CD1 4.4Å; L449-I494 HydrophobicContact CB-CG1 4.04Å; L449-I494 WeakPolarHBondContact O-CG1 2.98Å; L449-I494 PolarHBondContact O-N 2.98Å; L451-I494 HydrophobicContact CB-CG2 3.73Å; R492-I494 WeakPolarHBondContact O-CG2 3.47Å; R492-I494 PolarHBondContact O-N 3Å; I494-F514 CarbonylContact O-C 3.53Å; I494-F514 VanDerWaalsContact O-CA 3.32Å; I494-F514 WeakPolarHBondContact O-CA 3.48Å; I494-Y515 PolarHBondContact O-N 2.79Å; I494-F518 HydrophobicContact CB-CB 4Å; I494-F518 HydrophobicContact CB-CD1 4.29Å; I494-F518 HydrophobicContact CB-CD2 4.22Å; I494-F518 HydrophobicContact CB-CG 3.9Å; I494-F518 HydrophobicContact CD1-CE2 4.48Å; I494-F518 HydrophobicContact CD1-CZ 4.42Å; I494-F518 HydrophobicContact CG2-CB 3.91Å; I494-F518 HydrophobicContact CG2-CD2 3.73Å; I494-F518 HydrophobicContact CG2-CE2 4.45Å; I494-F518 HydrophobicContact CG2-CG 3.85Å
495T94.6Very high91.2Very high0 Ų053.3 Ų53.30%027%0.265CS..EExtended strand (participates in β ladder)trans-124.3150.9-179.651.20000111.6H448 L449 C493 V504 F509 V513H448-T495 WeakPolarHBondContact CA-OG1 3.3Å; H448-T495 PolarHBondContact ND1-O 2.68Å; H448-T495 PolarHBondContact ND1-OG1 3.32Å; L449-T495 HydrophobicContact CB-CG2 3.87Å; L449-T495 HydrophobicContact CD1-CG2 4.16Å; L449-T495 HydrophobicContact CG-CG2 4.4Å; L449-T495 PolarHBondContact N-OG1 2.88Å; L449-T495 VanDerWaalsContact N-OG1 3.08Å; C493-T495 PolarHBondContact SG-O 3.48Å; T495-V504 HydrophobicContact CG2-CG2 3.76Å; T495-F509 HydrophobicContact CG2-CD1 4.37Å; T495-V513 CarbonylContact C-O 3.5Å; T495-V513 WeakPolarHBondContact CA-O 3.32Å
496R87.7Confident91.3Very high65 Ų6553.5 Ų53.525%0.24527%0.265CS..EExtended strand (participates in β ladder)trans-139.8147.5176.3-68-63.2-179-81.71.3111.2C493 L498 K512 V513 Y515C493-R496 PolarHBondContact O-NH1 3.34Å; C493-R496 VanDerWaalsContact O-NH1 3.12Å; C493-R496 PolarHBondContact SG-NH1 3.49Å; R496-L498 HydrophobicContact CB-CD1 3.95Å; R496-L498 HydrophobicContact CB-CG 3.97Å; R496-L498 HydrophobicContact CG-CD1 4.46Å; R496-L498 PolarHBondContact O-N 3.37Å; R496-K512 WeakPolarHBondContact O-CA 3.41Å; R496-V513 HydrophobicContact CB-CG2 4.47Å; R496-V513 PolarHBondContact N-O 3.19Å; R496-V513 PolarHBondContact O-N 2.96Å; R496-Y515 HydrophobicContact CG-CD2 3.57Å; R496-Y515 HydrophobicContact CG-CE2 4.44Å; R496-Y515 HydrophobicContact CG-CG 4.04Å; R496-Y515 VanDerWaalsContact CZ-CD2 3.42Å
497D88.1Confident91.3Very high36 Ų3649.2 Ų49.219%0.19326%0.26CS..SBendtrans-80.269.1170.3-63.4-79.2000110.6F394 S446 H448 K512F394-D497 HydrophobicContact CB-CB 4.23Å; F394-D497 HydrophobicContact CD2-CB 3.46Å; F394-D497 VanDerWaalsContact CD2-CB 3.46Å; F394-D497 VanDerWaalsContact CD2-CG 3.43Å; F394-D497 HydrophobicContact CE2-CB 4.16Å; F394-D497 HydrophobicContact CG-CB 4.18Å; S446-D497 PolarHBondContact OG-OD1 3.43Å; S446-D497 PolarHBondContact OG-OD2 3.3Å; S446-D497 VanDerWaalsContact OG-OD2 3.07Å; H448-D497 IonicContact CE1-OD2 2.91Å; H448-D497 PolarHBondContact CE1-OD2 2.95Å; H448-D497 IonicContact NE2-OD2 2.98Å; H448-D497 PolarHBondContact NE2-OD2 3.04Å; D497-K512 WeakPolarHBondContact OD1-CE 3.44Å; D497-K512 IonicContact OD1-NZ 3.44Å; D497-K512 PolarHBondContact OD1-NZ 2.81Å; D497-K512 IonicContact OD2-NZ 3.11Å; D497-K512 PolarHBondContact OD2-NZ 3.16Å
498L85.6Confident91.6Very high26 Ų2648.4 Ų48.414%0.13626%0.256CS..  trans-128159.2176.4-59.2170.8000109.3T315 R496 V513T315-L498 HydrophobicContact CG2-CD2 4.19Å; T315-L498 WeakPolarHBondContact OG1-CD1 3.24Å; T315-L498 WeakPolarHBondContact OG1-CD2 3.35Å; R496-L498 HydrophobicContact CB-CD1 3.95Å; R496-L498 HydrophobicContact CB-CG 3.97Å; R496-L498 HydrophobicContact CG-CD1 4.46Å; R496-L498 PolarHBondContact O-N 3.37Å; L498-V513 HydrophobicContact CB-CG2 3.7Å; L498-V513 WeakPolarHBondContact O-CG1 3.39Å
499Q86.3Confident91.9Very high158 Ų15846.9 Ų46.974%0.73824%0.24SC*.SBendtrans-93.1-32.6174.2-63.1-65.1-32.400110.6E318 G501E318-Q499 PolarHBondContact OE1-N 2.89Å; Q499-G501 PolarHBondContact O-N 3.48Å
500W93.1Very high91.7Very high44 Ų4454.3 Ų54.317%0.16727%0.272CS..SBendtrans-94.391.7-179.2-168.1-113.8000113.2E312 Y313 G314 E318 P328 Q329 T357E312-W500 PolarHBondContact O-NE1 3.49Å; Y313-W500 AromaticContact CD1-CD1 3.88Å; Y313-W500 HydrophobicContact CD1-CD2 4.2Å; Y313-W500 AromaticContact CD1-CE2 3.94Å; Y313-W500 HydrophobicContact CD1-CG 4.19Å; Y313-W500 AromaticContact CD1-NE1 3.69Å; Y313-W500 HydrophobicContact CE1-CD2 4.36Å; Y313-W500 HydrophobicContact CE1-CZ2 4.39Å; G314-W500 PolarHBondContact N-O 2.83Å; E318-W500 HydrophobicContact CG-CB 3.57Å; E318-W500 HydrophobicContact CG-CG 4.41Å; E318-W500 WeakPolarHBondContact OE1-CB 3.27Å; E318-W500 PolarHBondContact OE1-N 2.84Å; P328-W500 HydrophobicContact CB-CB 4.26Å; P328-W500 HydrophobicContact CB-CD2 3.26Å; P328-W500 VanDerWaalsContact CB-CE2 3.46Å; P328-W500 HydrophobicContact CB-CE3 3.6Å; P328-W500 HydrophobicContact CB-CG 3.57Å; P328-W500 HydrophobicContact CB-CH2 4.24Å; P328-W500 HydrophobicContact CB-CZ2 3.95Å; P328-W500 HydrophobicContact CB-CZ3 4.08Å; P328-W500 HydrophobicContact CG-CB 4.34Å; P328-W500 HydrophobicContact CG-CD2 4.13Å; P328-W500 HydrophobicContact CG-CE3 4.26Å; P328-W500 HydrophobicContact CG-CG 4.17Å; Q329-W500 HydrophobicContact CB-CH2 3.83Å; Q329-W500 HydrophobicContact CB-CZ3 4.45Å; T357-W500 HydrophobicContact CG2-CH2 4.24Å; T357-W500 HydrophobicContact CG2-CZ2 3.59Å
501G94.6Very high91.7Very high12 Ų1255.4 Ų55.412%0.12428%0.279CS..SBendtrans-178.7173.5178.700000112.2Q499 V513Q499-G501 PolarHBondContact O-N 3.48Å; G501-V513 WeakPolarHBondContact O-CG1 3.45Å
502T97.7Very high91.6Very high0 Ų053.6 Ų53.60%027%0.265CS..PPolyproline II helixtrans-66.3124.3172.9-56.70000110.3Y313 T362 A365 V513 F514 D519Y313-T502 WeakPolarHBondContact CE2-OG1 3.31Å; T362-T502 HydrophobicContact CG2-CG2 4.17Å; A365-T502 HydrophobicContact CB-CG2 4.11Å; T502-V513 CarbonylContact O-C 3.55Å; T502-V513 WeakPolarHBondContact O-CA 3.42Å; T502-V513 WeakPolarHBondContact O-CB 3.26Å; T502-F514 HydrophobicContact CG2-CD2 3.77Å; T502-F514 HydrophobicContact CG2-CE2 4.26Å; T502-F514 PolarHBondContact O-N 3.34Å; T502-D519 WeakPolarHBondContact CB-OD2 3.43Å; T502-D519 PolarHBondContact OG1-OD2 2.92Å
503P97.7Very high92Very high60 Ų6049 Ų4939%0.3925%0.249SC..BIsolated β-bridgetrans-68.3141.2-176.326.5-33.8000112.1T362 Q366T362-P503 HydrophobicContact CG2-CG 4.11Å; Q366-P503 PolarHBondContact NE2-O 2.94Å
504V97.3Very high92.3Very high7 Ų748 Ų484%0.04224%0.241CC..PPolyproline II helixtrans-79.1123.5176.5-175.30000109.1F369 L449 T495 H506 F509 K512 F514F369-V504 HydrophobicContact CE2-CG1 4.47Å; F369-V504 HydrophobicContact CZ-CG1 4.28Å; L449-V504 HydrophobicContact CD1-CG1 4.08Å; T495-V504 HydrophobicContact CG2-CG2 3.76Å; V504-H506 HydrophobicContact CG1-CB 4.12Å; V504-H506 PolarHBondContact O-N 3.44Å; V504-F509 HydrophobicContact CB-CB 3.88Å; V504-F509 HydrophobicContact CG1-CB 3.74Å; V504-F509 HydrophobicContact CG1-CG 4.29Å; V504-F509 HydrophobicContact CG2-CB 4.49Å; V504-K512 HydrophobicContact CG2-CB 4.45Å; V504-K512 PolarHBondContact N-O 3.32Å; V504-F514 HydrophobicContact CB-CE1 4.42Å; V504-F514 HydrophobicContact CB-CZ 4.48Å; V504-F514 HydrophobicContact CG1-CE1 4.1Å; V504-F514 HydrophobicContact CG1-CZ 4.27Å; V504-F514 HydrophobicContact CG2-CD1 3.95Å; V504-F514 HydrophobicContact CG2-CE1 3.97Å; V504-F514 HydrophobicContact CG2-CG 4.34Å; V504-F514 HydrophobicContact CG2-CZ 4.39Å
505P95.4Very high92.1Very high34 Ų3451.2 Ų51.222%0.22125%0.254CS..  trans-82.340.6-172.936.3-36.8000112Q366 F369 W370Q366-P505 HydrophobicContact CB-CB 4.5Å; Q366-P505 HydrophobicContact CB-CG 3.98Å; Q366-P505 HydrophobicContact CG-CB 4.08Å; Q366-P505 HydrophobicContact CG-CG 3.71Å; F369-P505 HydrophobicContact CD1-CG 3.54Å; F369-P505 HydrophobicContact CE1-CG 3.77Å; W370-P505 HydrophobicContact CZ2-CB 4.37Å; W370-P505 HydrophobicContact CZ2-CG 4.35Å; W370-P505 WeakPolarHBondContact CZ2-O 3.49Å
506H92.7Very high91.6Very high31 Ų3152 Ų5214%0.14426%0.258CS..SBendtrans-124.7134.4-176.9-167.7-81.5000111V504 D508 F509 K510V504-H506 HydrophobicContact CG1-CB 4.12Å; V504-H506 PolarHBondContact O-N 3.44Å; H506-D508 VanDerWaalsContact C-N 3.27Å; H506-D508 PolarHBondContact ND1-N 2.85Å; H506-D508 PolarHBondContact O-N 3.05Å; H506-F509 HydrophobicContact CB-CB 4.37Å; H506-F509 HydrophobicContact CB-CD2 3.85Å; H506-F509 AromaticContact CG-CD2 3.83Å; H506-F509 AromaticContact ND1-CD2 3.45Å; H506-F509 WeakPolarHBondContact ND1-CD2 3.46Å; H506-F509 AromaticContact ND1-CE2 3.81Å; H506-F509 CarbonylContact O-C 3.45Å; H506-F509 PolarHBondContact O-N 3.13Å; H506-K510 PolarHBondContact O-N 3.39Å
507P90.3Very high91.2Very high88 Ų8851.6 Ų51.657%0.57126%0.257SS*.G310 helixtrans-54.6-38-175.7-2835000114.9F509 K510P507-F509 PolarHBondContact O-N 3.34Å; P507-K510 WeakPolarHBondContact O-CG 3.42Å
508D88.9Confident91.4Very high88 Ų8850 Ų5047%0.47125%0.248SC..G310 helixtrans-72.7-9.8178.2-73.226.6000113.8K447 H506K447-D508 IonicContact NZ-OD2 2.77Å; K447-D508 PolarHBondContact NZ-OD2 2.91Å; H506-D508 VanDerWaalsContact C-N 3.27Å; H506-D508 PolarHBondContact ND1-N 2.85Å; H506-D508 PolarHBondContact O-N 3.05Å
509F92.4Very high91.8Very high1 Ų148.8 Ų48.80%0.00424%0.242CC..G310 helixtrans-125.321.5-172.4-60.6-95.6000112.8E380 K447 L449 T495 V504 H506 P507 E511 K512E380-F509 HydrophobicContact CG-CZ 4.31Å; K447-F509 HydrophobicContact CB-CE1 4.19Å; K447-F509 HydrophobicContact CB-CZ 4.24Å; K447-F509 WeakPolarHBondContact O-CE1 3.33Å; L449-F509 HydrophobicContact CD1-CD1 4.12Å; L449-F509 HydrophobicContact CD1-CD2 3.83Å; L449-F509 HydrophobicContact CD1-CE1 4.08Å; L449-F509 HydrophobicContact CD1-CE2 3.73Å; L449-F509 HydrophobicContact CD1-CG 4.05Å; L449-F509 HydrophobicContact CD1-CZ 3.9Å; L449-F509 HydrophobicContact CD2-CE2 4.17Å; L449-F509 HydrophobicContact CD2-CZ 4.06Å; L449-F509 HydrophobicContact CG-CD1 4.32Å; L449-F509 HydrophobicContact CG-CD2 4.38Å; L449-F509 HydrophobicContact CG-CE1 3.79Å; L449-F509 HydrophobicContact CG-CE2 3.82Å; L449-F509 HydrophobicContact CG-CZ 3.52Å; T495-F509 HydrophobicContact CG2-CD1 4.37Å; V504-F509 HydrophobicContact CB-CB 3.88Å; V504-F509 HydrophobicContact CG1-CB 3.74Å; V504-F509 HydrophobicContact CG1-CG 4.29Å; V504-F509 HydrophobicContact CG2-CB 4.49Å; H506-F509 HydrophobicContact CB-CB 4.37Å; H506-F509 HydrophobicContact CB-CD2 3.85Å; H506-F509 AromaticContact CG-CD2 3.83Å; H506-F509 AromaticContact ND1-CD2 3.45Å; H506-F509 WeakPolarHBondContact ND1-CD2 3.46Å; H506-F509 AromaticContact ND1-CE2 3.81Å; H506-F509 CarbonylContact O-C 3.45Å; H506-F509 PolarHBondContact O-N 3.13Å; P507-F509 PolarHBondContact O-N 3.34Å; F509-E511 PolarHBondContact O-N 3.08Å; F509-E511 VanDerWaalsContact O-N 3.14Å; F509-K512 HydrophobicContact CB-CB 4.34Å; F509-K512 HydrophobicContact CB-CD 4.25Å; F509-K512 HydrophobicContact CD1-CD 3.5Å; F509-K512 VanDerWaalsContact CD1-CD 3.5Å; F509-K512 HydrophobicContact CE1-CD 4.29Å; F509-K512 HydrophobicContact CG-CD 4.3Å; F509-K512 WeakPolarHBondContact O-CB 3.4Å; F509-K512 PolarHBondContact O-N 3.19Å
510K88.9Confident92.2Very high169 Ų16941.8 Ų41.874%0.73521%0.211SC*.THydrogen-bonded Turntrans-55.5-31.2-176.2-75175-176-176.40115.1H506 P507 K512H506-K510 PolarHBondContact O-N 3.39Å; P507-K510 WeakPolarHBondContact O-CG 3.42Å; K510-K512 VanDerWaalsContact C-N 3.35Å
511E88Confident92.3Very high153 Ų15339.9 Ų39.972%0.71520%0.204SC*.THydrogen-bonded Turntrans-9715179.7-59.4-171162.200112.7F509F509-E511 PolarHBondContact O-N 3.08Å; F509-E511 VanDerWaalsContact O-N 3.14Å
512K92.9Very high92.5Very high18 Ų1839.3 Ų39.38%0.07820%0.198CC..  trans-121.8154.8-177.7-67.6166-177.6-78.60110.7S446 K447 R496 D497 V504 F509 K510S446-K512 PolarHBondContact OG-NZ 3.16Å; K447-K512 WeakPolarHBondContact O-CE 3.13Å; K447-K512 PolarHBondContact O-NZ 3.44Å; R496-K512 WeakPolarHBondContact O-CA 3.41Å; D497-K512 WeakPolarHBondContact OD1-CE 3.44Å; D497-K512 IonicContact OD1-NZ 3.44Å; D497-K512 PolarHBondContact OD1-NZ 2.81Å; D497-K512 IonicContact OD2-NZ 3.11Å; D497-K512 PolarHBondContact OD2-NZ 3.16Å; V504-K512 HydrophobicContact CG2-CB 4.45Å; V504-K512 PolarHBondContact N-O 3.32Å; F509-K512 HydrophobicContact CB-CB 4.34Å; F509-K512 HydrophobicContact CB-CD 4.25Å; F509-K512 HydrophobicContact CD1-CD 3.5Å; F509-K512 VanDerWaalsContact CD1-CD 3.5Å; F509-K512 HydrophobicContact CE1-CD 4.29Å; F509-K512 HydrophobicContact CG-CD 4.3Å; F509-K512 WeakPolarHBondContact O-CB 3.4Å; F509-K512 PolarHBondContact O-N 3.19Å; K510-K512 VanDerWaalsContact C-N 3.35Å
513V95.8Very high92.6Very high9 Ų939.3 Ų39.36%0.05520%0.198CC..EExtended strand (participates in β ladder)trans-117.6161.3175.6-61.60000110.3T495 R496 L498 G501 T502T495-V513 CarbonylContact C-O 3.5Å; T495-V513 WeakPolarHBondContact CA-O 3.32Å; R496-V513 HydrophobicContact CB-CG2 4.47Å; R496-V513 PolarHBondContact N-O 3.19Å; R496-V513 PolarHBondContact O-N 2.96Å; L498-V513 HydrophobicContact CB-CG2 3.7Å; L498-V513 WeakPolarHBondContact O-CG1 3.39Å; G501-V513 WeakPolarHBondContact O-CG1 3.45Å; T502-V513 CarbonylContact O-C 3.55Å; T502-V513 WeakPolarHBondContact O-CA 3.42Å; T502-V513 WeakPolarHBondContact O-CB 3.26Å
514F96.4Very high92.6Very high4 Ų436.7 Ų36.72%0.01818%0.181CC..EExtended strand (participates in β ladder)trans-62.1144.9167.7-70.8-54.5000110.7A365 Q366 F369 I494 T502 V504 V516 F518 D519A365-F514 HydrophobicContact CB-CD2 4.49Å; Q366-F514 HydrophobicContact CG-CE2 4.25Å; F369-F514 HydrophobicContact CB-CE1 4.19Å; F369-F514 HydrophobicContact CB-CE2 4.39Å; F369-F514 HydrophobicContact CB-CZ 3.59Å; F369-F514 HydrophobicContact CD1-CZ 4.19Å; F369-F514 AromaticContact CD2-CE1 3.51Å; F369-F514 HydrophobicContact CD2-CE1 3.51Å; F369-F514 AromaticContact CD2-CZ 3.63Å; F369-F514 HydrophobicContact CD2-CZ 3.63Å; F369-F514 HydrophobicContact CE2-CE1 4.07Å; F369-F514 HydrophobicContact CE2-CZ 4.35Å; F369-F514 AromaticContact CG-CE1 3.93Å; F369-F514 HydrophobicContact CG-CE1 3.93Å; F369-F514 AromaticContact CG-CZ 3.52Å; F369-F514 HydrophobicContact CG-CZ 3.52Å; I494-F514 CarbonylContact O-C 3.53Å; I494-F514 VanDerWaalsContact O-CA 3.32Å; I494-F514 WeakPolarHBondContact O-CA 3.48Å; T502-F514 HydrophobicContact CG2-CD2 3.77Å; T502-F514 HydrophobicContact CG2-CE2 4.26Å; T502-F514 PolarHBondContact O-N 3.34Å; V504-F514 HydrophobicContact CB-CE1 4.42Å; V504-F514 HydrophobicContact CB-CZ 4.48Å; V504-F514 HydrophobicContact CG1-CE1 4.1Å; V504-F514 HydrophobicContact CG1-CZ 4.27Å; V504-F514 HydrophobicContact CG2-CD1 3.95Å; V504-F514 HydrophobicContact CG2-CE1 3.97Å; V504-F514 HydrophobicContact CG2-CG 4.34Å; V504-F514 HydrophobicContact CG2-CZ 4.39Å; F514-V516 PolarHBondContact O-N 2.67Å; F514-F518 HydrophobicContact CB-CD1 4.08Å; F514-F518 AromaticContact CD1-CD1 3.82Å; F514-F518 HydrophobicContact CD1-CD1 3.82Å; F514-F518 AromaticContact CD1-CE1 3.82Å; F514-F518 HydrophobicContact CD1-CE1 3.82Å; F514-F518 HydrophobicContact CD2-CE1 4.46Å; F514-F518 HydrophobicContact CE1-CD1 4.48Å; F514-F518 HydrophobicContact CE1-CE1 4.04Å; F514-F518 AromaticContact CG-CD1 3.94Å; F514-F518 HydrophobicContact CG-CD1 3.94Å; F514-F518 HydrophobicContact CG-CE1 4.08Å; F514-F518 HydrophobicContact CZ-CE1 4.45Å; F514-D519 HydrophobicContact CB-CB 4.41Å
515Y89.7Confident92.7Very high73 Ų7336.3 Ų36.329%0.28618%0.179SC..  trans-70.1130172.1-178.9-142.7000109.3C493 I494 R496 W517 F518 D519C493-Y515 WeakPolarHBondContact O-CD1 3.37Å; I494-Y515 PolarHBondContact O-N 2.79Å; R496-Y515 HydrophobicContact CG-CD2 3.57Å; R496-Y515 HydrophobicContact CG-CE2 4.44Å; R496-Y515 HydrophobicContact CG-CG 4.04Å; R496-Y515 VanDerWaalsContact CZ-CD2 3.42Å; Y515-W517 HydrophobicContact CD1-CB 3.98Å; Y515-W517 HydrophobicContact CE1-CB 3.65Å; Y515-W517 AromaticContact CE1-CD1 3.79Å; Y515-W517 HydrophobicContact CE1-CG 4.07Å; Y515-W517 AromaticContact CE2-CD1 3.82Å; Y515-W517 AromaticContact CZ-CD1 3.32Å; Y515-W517 PolarHBondContact O-N 2.88Å; Y515-F518 WeakPolarHBondContact O-CA 3.25Å; Y515-F518 WeakPolarHBondContact O-CB 3.35Å; Y515-F518 PolarHBondContact O-N 3.28Å; Y515-D519 PolarHBondContact O-N 3.33Å
516V84.9Confident92.9Very high15 Ų1534.7 Ų34.79%0.09117%0.168CC..Hα-helixtrans-49.2-36.3-17769.20000114D311 F514 F518 D519 A520D311-V516 WeakPolarHBondContact OD1-CG2 3.19Å; D311-V516 WeakPolarHBondContact OD2-CG2 3.21Å; F514-V516 PolarHBondContact O-N 2.67Å; V516-F518 PolarHBondContact O-N 3.12Å; V516-D519 WeakPolarHBondContact CA-OD1 3.14Å; V516-D519 PolarHBondContact O-N 3.33Å; V516-A520 HydrophobicContact CG2-CB 4.07Å; V516-A520 WeakPolarHBondContact O-CA 3.34Å; V516-A520 WeakPolarHBondContact O-CB 3.43Å; V516-A520 PolarHBondContact O-N 3.15Å
517W79.4Confident93.2Very high57 Ų5733.2 Ų33.222%0.21616%0.161CC..Hα-helixtrans-77-7-179.9-71.998.3000114.7Y273 Y515 N555 F558Y273-W517 HydrophobicContact CE2-CH2 4.39Å; Y273-W517 HydrophobicContact CE2-CZ2 4.36Å; Y273-W517 WeakPolarHBondContact OH-CH2 3.45Å; Y273-W517 WeakPolarHBondContact OH-CZ2 3.49Å; Y515-W517 HydrophobicContact CD1-CB 3.98Å; Y515-W517 HydrophobicContact CE1-CB 3.65Å; Y515-W517 AromaticContact CE1-CD1 3.79Å; Y515-W517 HydrophobicContact CE1-CG 4.07Å; Y515-W517 AromaticContact CE2-CD1 3.82Å; Y515-W517 AromaticContact CZ-CD1 3.32Å; Y515-W517 PolarHBondContact O-N 2.88Å; W517-N555 WeakPolarHBondContact CH2-OD1 3.42Å; W517-F558 HydrophobicContact CB-CD1 3.91Å; W517-F558 HydrophobicContact CB-CE1 3.54Å; W517-F558 HydrophobicContact CB-CZ 4.3Å; W517-F558 AromaticContact CD2-CD1 3.93Å; W517-F558 HydrophobicContact CD2-CD1 3.93Å; W517-F558 HydrophobicContact CD2-CD2 4.21Å; W517-F558 AromaticContact CD2-CE1 3.47Å; W517-F558 HydrophobicContact CD2-CE1 3.47Å; W517-F558 VanDerWaalsContact CD2-CE1 3.47Å; W517-F558 AromaticContact CD2-CE2 3.76Å; W517-F558 HydrophobicContact CD2-CE2 3.76Å; W517-F558 HydrophobicContact CD2-CG 4.28Å; W517-F558 AromaticContact CD2-CZ 3.36Å; W517-F558 HydrophobicContact CD2-CZ 3.36Å; W517-F558 AromaticContact CE2-CZ 3.83Å; W517-F558 HydrophobicContact CE3-CB 4.25Å; W517-F558 AromaticContact CE3-CD1 3.41Å; W517-F558 HydrophobicContact CE3-CD1 3.41Å; W517-F558 VanDerWaalsContact CE3-CD1 3.41Å; W517-F558 AromaticContact CE3-CD2 3.31Å; W517-F558 HydrophobicContact CE3-CD2 3.31Å; W517-F558 AromaticContact CE3-CE1 3.42Å; W517-F558 HydrophobicContact CE3-CE1 3.42Å; W517-F558 VanDerWaalsContact CE3-CE1 3.42Å; W517-F558 AromaticContact CE3-CE2 3.3Å; W517-F558 HydrophobicContact CE3-CE2 3.3Å; W517-F558 AromaticContact CE3-CG 3.35Å; W517-F558 HydrophobicContact CE3-CG 3.35Å; W517-F558 AromaticContact CE3-CZ 3.34Å; W517-F558 HydrophobicContact CE3-CZ 3.34Å; W517-F558 HydrophobicContact CG-CD1 4.22Å; W517-F558 AromaticContact CG-CE1 3.61Å; W517-F558 HydrophobicContact CG-CE1 3.61Å; W517-F558 AromaticContact CG-CZ 3.86Å; W517-F558 HydrophobicContact CG-CZ 3.86Å; W517-F558 AromaticContact CH2-CD2 3.94Å; W517-F558 HydrophobicContact CH2-CD2 3.94Å; W517-F558 AromaticContact CH2-CE2 3.57Å; W517-F558 HydrophobicContact CH2-CE2 3.57Å; W517-F558 HydrophobicContact CH2-CZ 4.14Å; W517-F558 HydrophobicContact CZ2-CE2 4.02Å; W517-F558 HydrophobicContact CZ2-CZ 4.18Å; W517-F558 HydrophobicContact CZ3-CB 4.45Å; W517-F558 HydrophobicContact CZ3-CD1 4.17Å; W517-F558 AromaticContact CZ3-CD2 3.16Å; W517-F558 HydrophobicContact CZ3-CD2 3.16Å; W517-F558 HydrophobicContact CZ3-CE1 4.23Å; W517-F558 AromaticContact CZ3-CE2 3.21Å; W517-F558 HydrophobicContact CZ3-CE2 3.21Å; W517-F558 AromaticContact CZ3-CG 3.66Å; W517-F558 HydrophobicContact CZ3-CG 3.66Å; W517-F558 AromaticContact CZ3-CZ 3.77Å; W517-F558 HydrophobicContact CZ3-CZ 3.77Å
518F91Very high93.6Very high3 Ų329 Ų291%0.01313%0.134CC..Hα-helixtrans-85.8-47.7166.7168.4-108.7000111I368 L372 I494 F514 Y515 V516 I522I368-F518 HydrophobicContact CG2-CZ 4.49Å; L372-F518 HydrophobicContact CD1-CE2 4.02Å; L372-F518 HydrophobicContact CD1-CZ 4.2Å; I494-F518 HydrophobicContact CB-CB 4Å; I494-F518 HydrophobicContact CB-CD1 4.29Å; I494-F518 HydrophobicContact CB-CD2 4.22Å; I494-F518 HydrophobicContact CB-CG 3.9Å; I494-F518 HydrophobicContact CD1-CE2 4.48Å; I494-F518 HydrophobicContact CD1-CZ 4.42Å; I494-F518 HydrophobicContact CG2-CB 3.91Å; I494-F518 HydrophobicContact CG2-CD2 3.73Å; I494-F518 HydrophobicContact CG2-CE2 4.45Å; I494-F518 HydrophobicContact CG2-CG 3.85Å; F514-F518 HydrophobicContact CB-CD1 4.08Å; F514-F518 AromaticContact CD1-CD1 3.82Å; F514-F518 HydrophobicContact CD1-CD1 3.82Å; F514-F518 AromaticContact CD1-CE1 3.82Å; F514-F518 HydrophobicContact CD1-CE1 3.82Å; F514-F518 HydrophobicContact CD2-CE1 4.46Å; F514-F518 HydrophobicContact CE1-CD1 4.48Å; F514-F518 HydrophobicContact CE1-CE1 4.04Å; F514-F518 AromaticContact CG-CD1 3.94Å; F514-F518 HydrophobicContact CG-CD1 3.94Å; F514-F518 HydrophobicContact CG-CE1 4.08Å; F514-F518 HydrophobicContact CZ-CE1 4.45Å; Y515-F518 WeakPolarHBondContact O-CA 3.25Å; Y515-F518 WeakPolarHBondContact O-CB 3.35Å; Y515-F518 PolarHBondContact O-N 3.28Å; V516-F518 PolarHBondContact O-N 3.12Å; F518-I522 HydrophobicContact CE1-CD1 4.3Å; F518-I522 HydrophobicContact CZ-CD1 4.34Å
519D94.7Very high94.1Very high1 Ų125 Ų251%0.00511%0.113CC..Hα-helixtrans-102.2-12.9-170.379-41.1000115.5Q361 A365 T502 F514 Y515 V516 I522 G523Q361-D519 PolarHBondContact NE2-O 3.4Å; Q361-D519 PolarHBondContact NE2-OD2 3.26Å; Q361-D519 VanDerWaalsContact NE2-OD2 3.09Å; A365-D519 HydrophobicContact CB-CB 4.23Å; T502-D519 WeakPolarHBondContact CB-OD2 3.43Å; T502-D519 PolarHBondContact OG1-OD2 2.92Å; F514-D519 HydrophobicContact CB-CB 4.41Å; Y515-D519 PolarHBondContact O-N 3.33Å; V516-D519 WeakPolarHBondContact CA-OD1 3.14Å; V516-D519 PolarHBondContact O-N 3.33Å; D519-I522 HydrophobicContact CB-CD1 4.17Å; D519-I522 WeakPolarHBondContact O-CA 3.28Å; D519-I522 VanDerWaalsContact O-CB 3.24Å; D519-I522 WeakPolarHBondContact O-CB 3.48Å; D519-I522 PolarHBondContact O-N 3.12Å; D519-G523 PolarHBondContact O-N 3.17Å; D519-G523 VanDerWaalsContact O-N 3.17Å
520A93.7Very high94.3Very high10 Ų1028.4 Ų28.48%0.08313%0.131CC..THydrogen-bonded Turntrans-58.6-42.8174.400000112.9L271 D311 V516 I522 G523L271-A520 WeakPolarHBondContact CD1-O 3.06Å; D311-A520 WeakPolarHBondContact OD2-CB 3.39Å; V516-A520 HydrophobicContact CG2-CB 4.07Å; V516-A520 WeakPolarHBondContact O-CA 3.34Å; V516-A520 WeakPolarHBondContact O-CB 3.43Å; V516-A520 PolarHBondContact O-N 3.15Å; A520-I522 VanDerWaalsContact C-N 3.27Å; A520-I522 PolarHBondContact O-N 3.1Å; A520-G523 VanDerWaalsContact O-CA 3.28Å; A520-G523 WeakPolarHBondContact O-CA 3.43Å; A520-G523 PolarHBondContact O-N 2.9Å
521P97Very high94.8Very high4 Ų421.9 Ų21.93%0.02610%0.102CC..THydrogen-bonded Turntrans-65.7-26.5172.3-22.835.8000113.8G523 Y524 F563P521-G523 PolarHBondContact O-N 3.41Å; P521-Y524 HydrophobicContact CB-CE2 4.29Å; P521-Y524 WeakPolarHBondContact O-CD2 3.42Å; P521-Y524 PolarHBondContact O-N 3.18Å; P521-F563 HydrophobicContact CB-CB 3.78Å; P521-F563 HydrophobicContact CB-CD1 3.88Å; P521-F563 HydrophobicContact CB-CD2 3.56Å; P521-F563 HydrophobicContact CB-CE1 4.27Å; P521-F563 HydrophobicContact CB-CE2 4Å; P521-F563 HydrophobicContact CB-CG 3.48Å; P521-F563 VanDerWaalsContact CB-CG 3.48Å; P521-F563 HydrophobicContact CB-CZ 4.31Å; P521-F563 HydrophobicContact CG-CB 4.2Å; P521-F563 HydrophobicContact CG-CG 4.4Å; P521-F563 WeakPolarHBondContact O-CZ 3.31Å
522I98.7Very high95.3Very high0 Ų015.2 Ų15.20%07%0.072CC..THydrogen-bonded Turntrans-65.4-22.7170.7-55.7173.5000110.3I364 A365 I368 F518 D519 A520 Y524 L525 S526 F563I364-I522 HydrophobicContact CB-CG2 4.24Å; I364-I522 HydrophobicContact CG2-CG2 3.64Å; A365-I522 HydrophobicContact CB-CD1 4.04Å; A365-I522 HydrophobicContact CB-CG2 4.29Å; I368-I522 HydrophobicContact CB-CD1 4.43Å; I368-I522 HydrophobicContact CD1-CD1 3.94Å; I368-I522 HydrophobicContact CD1-CG1 3.99Å; I368-I522 HydrophobicContact CD1-CG2 4.02Å; I368-I522 HydrophobicContact CG2-CD1 4.38Å; F518-I522 HydrophobicContact CE1-CD1 4.3Å; F518-I522 HydrophobicContact CZ-CD1 4.34Å; D519-I522 HydrophobicContact CB-CD1 4.17Å; D519-I522 WeakPolarHBondContact O-CA 3.28Å; D519-I522 VanDerWaalsContact O-CB 3.24Å; D519-I522 WeakPolarHBondContact O-CB 3.48Å; D519-I522 PolarHBondContact O-N 3.12Å; A520-I522 VanDerWaalsContact C-N 3.27Å; A520-I522 PolarHBondContact O-N 3.1Å; I522-Y524 PolarHBondContact O-N 3.3Å; I522-Y524 VanDerWaalsContact O-N 3.14Å; I522-L525 WeakPolarHBondContact O-CB 3.38Å; I522-L525 PolarHBondContact O-N 3.48Å; I522-S526 PolarHBondContact O-N 3.48Å; I522-S526 VanDerWaalsContact O-N 3.1Å; I522-F563 HydrophobicContact CG1-CD2 4.45Å; I522-F563 HydrophobicContact CG1-CE2 3.92Å
523G98.6Very high95.5Very high0 Ų021.2 Ų21.20%011%0.105CC..Hα-helixtrans-47.9-36.7168.700000114D519 A520 P521 L525 S526 I527D519-G523 PolarHBondContact O-N 3.17Å; D519-G523 VanDerWaalsContact O-N 3.17Å; A520-G523 VanDerWaalsContact O-CA 3.28Å; A520-G523 WeakPolarHBondContact O-CA 3.43Å; A520-G523 PolarHBondContact O-N 2.9Å; P521-G523 PolarHBondContact O-N 3.41Å; G523-L525 VanDerWaalsContact C-N 3.31Å; G523-L525 PolarHBondContact O-N 3.39Å; G523-S526 WeakPolarHBondContact CA-OG 3.48Å; G523-S526 PolarHBondContact O-N 3.29Å; G523-S526 PolarHBondContact O-OG 3.3Å; G523-I527 WeakPolarHBondContact O-CB 3.44Å; G523-I527 VanDerWaalsContact O-CD1 3.29Å; G523-I527 WeakPolarHBondContact O-CD1 3.35Å; G523-I527 WeakPolarHBondContact O-CG1 3.34Å; G523-I527 PolarHBondContact O-N 3.37Å
524Y98.8Very high95.6Very high5 Ų525.2 Ų25.22%0.0212%0.123CC..Hα-helixtrans-63.3-38.5177.4-55.4-57000112.6T268 S269 A270 L271 P521 I522 T528 W539 H559T268-Y524 HydrophobicContact CG2-CD1 3.88Å; T268-Y524 HydrophobicContact CG2-CE1 4.46Å; T268-Y524 HydrophobicContact CG2-CG 4.03Å; S269-Y524 WeakPolarHBondContact O-CE1 3.45Å; A270-Y524 WeakPolarHBondContact CA-OH 3.36Å; L271-Y524 HydrophobicContact CD1-CE1 4.35Å; L271-Y524 HydrophobicContact CD2-CD1 3.85Å; L271-Y524 HydrophobicContact CD2-CE1 3.57Å; L271-Y524 HydrophobicContact CG-CD1 4.18Å; L271-Y524 HydrophobicContact CG-CE1 3.63Å; P521-Y524 HydrophobicContact CB-CE2 4.29Å; P521-Y524 WeakPolarHBondContact O-CD2 3.42Å; P521-Y524 PolarHBondContact O-N 3.18Å; I522-Y524 PolarHBondContact O-N 3.3Å; I522-Y524 VanDerWaalsContact O-N 3.14Å; Y524-T528 PolarHBondContact O-N 3.36Å; Y524-T528 PolarHBondContact O-OG1 3.12Å; Y524-W539 VanDerWaalsContact CB-CH2 3.47Å; Y524-W539 VanDerWaalsContact CB-CZ2 3.44Å; Y524-W539 HydrophobicContact CD2-CH2 4.49Å; Y524-W539 HydrophobicContact CG-CH2 4.24Å; Y524-H559 AromaticContact CE2-CD2 3.75Å; Y524-H559 AromaticContact CE2-NE2 3.31Å; Y524-H559 VanDerWaalsContact CE2-NE2 3.31Å; Y524-H559 WeakPolarHBondContact CE2-NE2 3.45Å; Y524-H559 AromaticContact CZ-NE2 3.5Å; Y524-H559 PolarHBondContact OH-NE2 3.22Å
525L98.9Very high95.7Very high0 Ų026.1 Ų26.10%013%0.126CC..Hα-helixtrans-69.7-48178.4-76.859.9000109.6I364 I368 I522 G523 T528 A529 W535 W539 F563 Y574I364-L525 HydrophobicContact CD1-CB 4.4Å; I364-L525 HydrophobicContact CG2-CB 4.21Å; I364-L525 HydrophobicContact CG2-CD2 4.05Å; I368-L525 HydrophobicContact CD1-CD2 4.18Å; I522-L525 WeakPolarHBondContact O-CB 3.38Å; I522-L525 PolarHBondContact O-N 3.48Å; G523-L525 VanDerWaalsContact C-N 3.31Å; G523-L525 PolarHBondContact O-N 3.39Å; L525-T528 CarbonylContact O-C 3.54Å; L525-T528 WeakPolarHBondContact O-CB 3.41Å; L525-T528 PolarHBondContact O-N 3.17Å; L525-T528 VanDerWaalsContact O-N 3.15Å; L525-A529 WeakPolarHBondContact O-CB 3.26Å; L525-A529 PolarHBondContact O-N 2.85Å; L525-W535 HydrophobicContact CB-CE3 4.22Å; L525-W535 HydrophobicContact CB-CZ3 3.84Å; L525-W535 HydrophobicContact CD2-CH2 4.25Å; L525-W535 HydrophobicContact CD2-CZ3 3.81Å; L525-W535 HydrophobicContact CG-CE3 4.4Å; L525-W535 HydrophobicContact CG-CZ3 3.78Å; L525-W539 HydrophobicContact CD1-CD2 3.59Å; L525-W539 HydrophobicContact CD1-CE3 3.41Å; L525-W539 VanDerWaalsContact CD1-CE3 3.41Å; L525-W539 HydrophobicContact CD1-CG 4.19Å; L525-W539 HydrophobicContact CD1-CH2 4.17Å; L525-W539 HydrophobicContact CD1-CZ2 4.33Å; L525-W539 HydrophobicContact CD1-CZ3 3.71Å; L525-W539 HydrophobicContact CG-CB 4.12Å; L525-W539 HydrophobicContact CG-CD2 3.82Å; L525-W539 HydrophobicContact CG-CE3 4.05Å; L525-W539 HydrophobicContact CG-CG 3.86Å; L525-F563 HydrophobicContact CD1-CE1 4.48Å; L525-F563 HydrophobicContact CD1-CZ 3.64Å; L525-Y574 HydrophobicContact CD2-CD1 4.1Å; L525-Y574 HydrophobicContact CD2-CE1 3.53Å
526S98.8Very high96.1Very high0 Ų027 Ų270%013%0.133CC..Hα-helixtrans-68.1-36-17866.70000113Q361 I522 G523 T528 A529 N530Q361-S526 VanDerWaalsContact CA-CB 3.46Å; Q361-S526 PolarHBondContact OE1-OG 3.04Å; I522-S526 PolarHBondContact O-N 3.48Å; I522-S526 VanDerWaalsContact O-N 3.1Å; G523-S526 WeakPolarHBondContact CA-OG 3.48Å; G523-S526 PolarHBondContact O-N 3.29Å; G523-S526 PolarHBondContact O-OG 3.3Å; S526-T528 VanDerWaalsContact C-N 3.3Å; S526-T528 PolarHBondContact O-N 3.09Å; S526-A529 PolarHBondContact O-N 3.16Å; S526-N530 PolarHBondContact O-N 3.43Å; S526-N530 PolarHBondContact O-ND2 3.5Å
527I98.9Very high96.7Very high0 Ų031.2 Ų31.20%015%0.15CC..Hα-helixtrans-60.2-43.7170.8-72.8166.4000110L271 V307 C308 F352 G523 N530 Y531L271-I527 HydrophobicContact CD1-CD1 4.28Å; L271-I527 HydrophobicContact CD2-CD1 3.74Å; V307-I527 HydrophobicContact CB-CG2 4.15Å; C308-I527 WeakPolarHBondContact O-CG2 3.01Å; F352-I527 HydrophobicContact CD1-CG2 3.67Å; F352-I527 WeakPolarHBondContact CD1-O 3.13Å; F352-I527 HydrophobicContact CE1-CG2 4.13Å; F352-I527 VanDerWaalsContact CE1-O 3.32Å; F352-I527 WeakPolarHBondContact CE1-O 3.07Å; G523-I527 WeakPolarHBondContact O-CB 3.44Å; G523-I527 VanDerWaalsContact O-CD1 3.29Å; G523-I527 WeakPolarHBondContact O-CD1 3.35Å; G523-I527 WeakPolarHBondContact O-CG1 3.34Å; G523-I527 PolarHBondContact O-N 3.37Å; I527-N530 PolarHBondContact O-N 3.09Å; I527-Y531 PolarHBondContact O-N 3.19Å; I527-Y531 VanDerWaalsContact O-N 3.14Å
528T98.9Very high97.6Very high0 Ų028.5 Ų28.50%014%0.14CC..Hα-helixtrans-68.7-35176.9-49.60000111.9L305 Y524 L525 S526 N530 Y531 T532 W535 W539L305-T528 HydrophobicContact CD2-CG2 3.97Å; Y524-T528 PolarHBondContact O-N 3.36Å; Y524-T528 PolarHBondContact O-OG1 3.12Å; L525-T528 CarbonylContact O-C 3.54Å; L525-T528 WeakPolarHBondContact O-CB 3.41Å; L525-T528 PolarHBondContact O-N 3.17Å; L525-T528 VanDerWaalsContact O-N 3.15Å; S526-T528 VanDerWaalsContact C-N 3.3Å; S526-T528 PolarHBondContact O-N 3.09Å; T528-N530 VanDerWaalsContact C-N 3.34Å; T528-Y531 WeakPolarHBondContact O-CB 3.43Å; T528-Y531 PolarHBondContact O-N 3.2Å; T528-Y531 VanDerWaalsContact O-N 3.12Å; T528-T532 PolarHBondContact O-N 2.67Å; T528-W535 HydrophobicContact CG2-CB 3.85Å; T528-W539 VanDerWaalsContact CB-NE1 3.33Å; T528-W539 PolarHBondContact OG1-NE1 2.81Å
529A98.8Very high98Very high4 Ų428.4 Ų28.43%0.03314%0.139CC..Hα-helixtrans-67.3-32.5175.300000113.1K360 I364 L525 S526 Y531 T532 W535K360-A529 HydrophobicContact CB-CB 4.2Å; K360-A529 HydrophobicContact CD-CB 4.26Å; K360-A529 HydrophobicContact CG-CB 4.18Å; I364-A529 HydrophobicContact CD1-CB 3.79Å; L525-A529 WeakPolarHBondContact O-CB 3.26Å; L525-A529 PolarHBondContact O-N 2.85Å; S526-A529 PolarHBondContact O-N 3.16Å; A529-Y531 VanDerWaalsContact C-N 3.3Å; A529-T532 WeakPolarHBondContact CA-O 3.44Å; A529-T532 CarbonylContact O-C 3.57Å; A529-W535 HydrophobicContact CB-CB 4.19Å; A529-W535 VanDerWaalsContact CB-CD1 3.44Å; A529-W535 HydrophobicContact CB-CD2 4.04Å; A529-W535 HydrophobicContact CB-CG 3.61Å
530N98.6Very high98.2Very high71 Ų7129.8 Ų29.838%0.3815%0.145SC..Hα-helixtrans-75.1-21.1171.5-73.1-58.6000112.5F352 T358 S526 I527 T528F352-N530 HydrophobicContact CE1-CB 4.04Å; F352-N530 HydrophobicContact CZ-CB 4.22Å; T358-N530 PolarHBondContact OG1-ND2 2.95Å; S526-N530 PolarHBondContact O-N 3.43Å; S526-N530 PolarHBondContact O-ND2 3.5Å; I527-N530 PolarHBondContact O-N 3.09Å; T528-N530 VanDerWaalsContact C-N 3.34Å
531Y98.4Very high98.4Very high33 Ų3330.8 Ų30.813%0.12915%0.149CC..Hα-helixtrans-81.8-39.3174.1171.4-115.3000112.6H254 P255 V256 L305 F352 I527 T528 A529H254-Y531 HydrophobicContact CB-CE2 4.4Å; H254-Y531 AromaticContact ND1-CE2 3.73Å; H254-Y531 AromaticContact ND1-CZ 3.7Å; H254-Y531 PolarHBondContact ND1-OH 2.83Å; P255-Y531 WeakPolarHBondContact CA-OH 3.1Å; P255-Y531 HydrophobicContact CB-CD1 4.42Å; P255-Y531 HydrophobicContact CB-CE1 3.84Å; P255-Y531 HydrophobicContact CB-CE2 4.43Å; V256-Y531 PolarHBondContact N-OH 3.47Å; L305-Y531 HydrophobicContact CD1-CD1 4.12Å; L305-Y531 HydrophobicContact CD1-CE1 3.52Å; L305-Y531 HydrophobicContact CD2-CD1 4.49Å; L305-Y531 HydrophobicContact CD2-CE1 4.34Å; F352-Y531 HydrophobicContact CB-CD2 3.7Å; F352-Y531 HydrophobicContact CB-CE2 4.34Å; F352-Y531 HydrophobicContact CB-CG 3.96Å; F352-Y531 AromaticContact CD2-CD2 3.91Å; F352-Y531 HydrophobicContact CD2-CD2 3.91Å; F352-Y531 AromaticContact CG-CD2 3.9Å; F352-Y531 HydrophobicContact CG-CD2 3.9Å; F352-Y531 HydrophobicContact CG-CG 4.15Å; I527-Y531 PolarHBondContact O-N 3.19Å; I527-Y531 VanDerWaalsContact O-N 3.14Å; T528-Y531 WeakPolarHBondContact O-CB 3.43Å; T528-Y531 PolarHBondContact O-N 3.2Å; T528-Y531 VanDerWaalsContact O-N 3.12Å; A529-Y531 VanDerWaalsContact C-N 3.3Å
532T98.2Very high98.3Very high13 Ų1333 Ų338%0.0816%0.164CC..  trans-150.6141.8178.5179.20000112M257 T528 A529 E534 W535M257-T532 HydrophobicContact SD-CG2 4.05Å; T528-T532 PolarHBondContact O-N 2.67Å; A529-T532 WeakPolarHBondContact CA-O 3.44Å; A529-T532 CarbonylContact O-C 3.57Å; T532-E534 PolarHBondContact O-N 2.99Å; T532-E534 PolarHBondContact OG1-N 3.12Å; T532-W535 HydrophobicContact CG2-CB 4.39Å; T532-W535 PolarHBondContact O-N 2.91Å
533N97.1Very high98.1Very high144 Ų14441 Ų4177%0.7720%0.201SC*.THydrogen-bonded Turntrans-65.9-20.1174.8-67.9-34.3000112.7W535N533-W535 VanDerWaalsContact C-N 3.33Å; N533-W535 PolarHBondContact O-N 3.29Å
534E97.6Very high97.9Very high92 Ų9244.2 Ų44.243%0.4322%0.216SC..THydrogen-bonded Turntrans-95.925.5-179.1-63.8-176.1-97.900112.8M257 T532 E536 K537M257-E534 HydrophobicContact CE-CB 3.38Å; M257-E534 HydrophobicContact CE-CG 4.43Å; M257-E534 HydrophobicContact SD-CB 4.41Å; T532-E534 PolarHBondContact O-N 2.99Å; T532-E534 PolarHBondContact OG1-N 3.12Å; E534-E536 PolarHBondContact O-N 3.46Å; E534-K537 HydrophobicContact CB-CD 4.31Å; E534-K537 WeakPolarHBondContact O-CB 3.48Å; E534-K537 PolarHBondContact O-N 3.33Å; E534-K537 WeakPolarHBondContact OE2-CE 3.13Å; E534-K537 IonicContact OE2-NZ 2.63Å; E534-K537 PolarHBondContact OE2-NZ 2.82Å
535W98.5Very high97.9Very high23 Ų2344.2 Ų44.29%0.08722%0.216CC..THydrogen-bonded Turntrans-55.6-27-175.868.7-85000114.4I364 L525 T528 A529 T532 N533 K537 W538 W539I364-W535 HydrophobicContact CD1-CH2 4.08Å; I364-W535 HydrophobicContact CD1-CZ2 3.77Å; I364-W535 HydrophobicContact CG1-CH2 4.34Å; I364-W535 HydrophobicContact CG1-CZ2 4Å; I364-W535 HydrophobicContact CG2-CH2 4.27Å; L525-W535 HydrophobicContact CB-CE3 4.22Å; L525-W535 HydrophobicContact CB-CZ3 3.84Å; L525-W535 HydrophobicContact CD2-CH2 4.25Å; L525-W535 HydrophobicContact CD2-CZ3 3.81Å; L525-W535 HydrophobicContact CG-CE3 4.4Å; L525-W535 HydrophobicContact CG-CZ3 3.78Å; T528-W535 HydrophobicContact CG2-CB 3.85Å; A529-W535 HydrophobicContact CB-CB 4.19Å; A529-W535 VanDerWaalsContact CB-CD1 3.44Å; A529-W535 HydrophobicContact CB-CD2 4.04Å; A529-W535 HydrophobicContact CB-CG 3.61Å; T532-W535 HydrophobicContact CG2-CB 4.39Å; T532-W535 PolarHBondContact O-N 2.91Å; N533-W535 VanDerWaalsContact C-N 3.33Å; N533-W535 PolarHBondContact O-N 3.29Å; W535-K537 PolarHBondContact O-N 3.37Å; W535-W538 WeakPolarHBondContact O-CB 3.33Å; W535-W538 PolarHBondContact O-N 3.44Å; W535-W539 HydrophobicContact CE3-CB 3.75Å; W535-W539 AromaticContact CE3-CD1 3.91Å; W535-W539 HydrophobicContact CE3-CG 4.09Å; W535-W539 HydrophobicContact CZ3-CB 3.74Å; W535-W539 HydrophobicContact CZ3-CG 4.35Å; W535-W539 PolarHBondContact O-N 3.28Å
536E98.5Very high97.8Very high92 Ų9247 Ų4743%0.4323%0.229SC..Hα-helixtrans-62.1-26.2176.2-63.1-175.7127.200112.3E534 W538 W539 K540E534-E536 PolarHBondContact O-N 3.46Å; E536-W538 PolarHBondContact O-N 2.89Å; E536-W539 PolarHBondContact O-N 3.22Å; E536-K540 HydrophobicContact CB-CB 4.35Å; E536-K540 HydrophobicContact CB-CD 4.17Å; E536-K540 HydrophobicContact CB-CG 4.32Å; E536-K540 HydrophobicContact CG-CD 3.98Å; E536-K540 HydrophobicContact CG-CG 4.49Å; E536-K540 CarbonylContact O-C 3.41Å; E536-K540 WeakPolarHBondContact O-CA 3.34Å; E536-K540 WeakPolarHBondContact O-CB 3.46Å; E536-K540 PolarHBondContact O-N 3.35Å; E536-K540 WeakPolarHBondContact OE1-CE 3.46Å; E536-K540 IonicContact OE1-NZ 2.74Å; E536-K540 PolarHBondContact OE1-NZ 3.05Å
537K98.3Very high97.8Very high104 Ų10447 Ų4745%0.45223%0.23SC..Hα-helixtrans-63.1-26.3173.6-70.5-175.71721740112.5M257 P258 E534 W535 N541M257-K537 HydrophobicContact CE-CB 4.03Å; M257-K537 HydrophobicContact CE-CD 3.76Å; M257-K537 HydrophobicContact CE-CG 4.37Å; P258-K537 HydrophobicContact CG-CB 4.17Å; P258-K537 WeakPolarHBondContact CG-O 3.29Å; E534-K537 HydrophobicContact CB-CD 4.31Å; E534-K537 WeakPolarHBondContact O-CB 3.48Å; E534-K537 PolarHBondContact O-N 3.33Å; E534-K537 WeakPolarHBondContact OE2-CE 3.13Å; E534-K537 IonicContact OE2-NZ 2.63Å; E534-K537 PolarHBondContact OE2-NZ 2.82Å; W535-K537 PolarHBondContact O-N 3.37Å; K537-N541 WeakPolarHBondContact O-CB 3.43Å; K537-N541 PolarHBondContact O-ND2 3.38Å
538W98.6Very high97.8Very high0 Ų047 Ų470%023%0.23CC..Hα-helixtrans-87.7-47173.3-79.9111.4000112V256 P258 N264 L266 L305 W535 E536 V545 T575V256-W538 HydrophobicContact CG1-CZ2 4.26Å; V256-W538 PolarHBondContact O-NE1 2.89Å; P258-W538 HydrophobicContact CG-CD2 3.54Å; P258-W538 HydrophobicContact CG-CE3 3.91Å; P258-W538 HydrophobicContact CG-CG 3.92Å; P258-W538 HydrophobicContact CG-CH2 4.28Å; P258-W538 HydrophobicContact CG-CZ2 3.93Å; P258-W538 HydrophobicContact CG-CZ3 4.27Å; N264-W538 HydrophobicContact CB-CH2 3.9Å; N264-W538 HydrophobicContact CB-CZ3 3.78Å; L266-W538 HydrophobicContact CB-CE3 3.82Å; L266-W538 HydrophobicContact CB-CZ3 4.04Å; L266-W538 HydrophobicContact CD1-CD2 4.49Å; L266-W538 HydrophobicContact CD1-CE3 4.29Å; L266-W538 HydrophobicContact CD2-CB 4.25Å; L266-W538 HydrophobicContact CD2-CE3 4.44Å; L266-W538 HydrophobicContact CG-CE3 4.42Å; L305-W538 HydrophobicContact CB-CD2 4.32Å; L305-W538 HydrophobicContact CB-CH2 3.97Å; L305-W538 HydrophobicContact CB-CZ2 3.62Å; L305-W538 HydrophobicContact CB-CZ3 4.46Å; L305-W538 HydrophobicContact CD2-CD2 3.92Å; L305-W538 HydrophobicContact CD2-CG 3.85Å; L305-W538 HydrophobicContact CD2-CZ2 4.38Å; W535-W538 WeakPolarHBondContact O-CB 3.33Å; W535-W538 PolarHBondContact O-N 3.44Å; E536-W538 PolarHBondContact O-N 2.89Å; W538-V545 HydrophobicContact CE3-CB 4.4Å; W538-V545 HydrophobicContact CE3-CG1 3.68Å; W538-V545 HydrophobicContact CE3-CG2 3.77Å; W538-V545 HydrophobicContact CZ3-CG1 4Å; W538-V545 HydrophobicContact CZ3-CG2 4.17Å; W538-T575 WeakPolarHBondContact O-CB 3.4Å; W538-T575 PolarHBondContact O-OG1 2.85Å
539W98.7Very high97.8Very high0 Ų047.2 Ų47.20%023%0.23CC..Hα-helixtrans-97-8.2-167.9-72.999.9000115.5L266 T268 Y524 L525 T528 W535 E536 L547 Y574 T575L266-W539 HydrophobicContact CD2-CD2 3.89Å; L266-W539 HydrophobicContact CD2-CE3 4.21Å; L266-W539 HydrophobicContact CD2-CG 4.47Å; L266-W539 HydrophobicContact CD2-CH2 4.01Å; L266-W539 HydrophobicContact CD2-CZ2 3.65Å; L266-W539 HydrophobicContact CD2-CZ3 4.28Å; L266-W539 HydrophobicContact CG-CZ2 4.3Å; T268-W539 HydrophobicContact CG2-CH2 3.83Å; T268-W539 HydrophobicContact CG2-CZ2 3.91Å; Y524-W539 VanDerWaalsContact CB-CH2 3.47Å; Y524-W539 VanDerWaalsContact CB-CZ2 3.44Å; Y524-W539 HydrophobicContact CD2-CH2 4.49Å; Y524-W539 HydrophobicContact CG-CH2 4.24Å; L525-W539 HydrophobicContact CD1-CD2 3.59Å; L525-W539 HydrophobicContact CD1-CE3 3.41Å; L525-W539 VanDerWaalsContact CD1-CE3 3.41Å; L525-W539 HydrophobicContact CD1-CG 4.19Å; L525-W539 HydrophobicContact CD1-CH2 4.17Å; L525-W539 HydrophobicContact CD1-CZ2 4.33Å; L525-W539 HydrophobicContact CD1-CZ3 3.71Å; L525-W539 HydrophobicContact CG-CB 4.12Å; L525-W539 HydrophobicContact CG-CD2 3.82Å; L525-W539 HydrophobicContact CG-CE3 4.05Å; L525-W539 HydrophobicContact CG-CG 3.86Å; T528-W539 VanDerWaalsContact CB-NE1 3.33Å; T528-W539 PolarHBondContact OG1-NE1 2.81Å; W535-W539 HydrophobicContact CE3-CB 3.75Å; W535-W539 AromaticContact CE3-CD1 3.91Å; W535-W539 HydrophobicContact CE3-CG 4.09Å; W535-W539 HydrophobicContact CZ3-CB 3.74Å; W535-W539 HydrophobicContact CZ3-CG 4.35Å; W535-W539 PolarHBondContact O-N 3.28Å; E536-W539 PolarHBondContact O-N 3.22Å; W539-L547 HydrophobicContact CH2-CD1 4.05Å; W539-L547 HydrophobicContact CH2-CD2 4.1Å; W539-L547 HydrophobicContact CZ3-CD1 4.33Å; W539-L547 HydrophobicContact CZ3-CD2 3.62Å; W539-Y574 CarbonylContact O-C 3.59Å; W539-Y574 VanDerWaalsContact O-CA 3.31Å; W539-Y574 WeakPolarHBondContact O-CA 3.47Å; W539-Y574 WeakPolarHBondContact O-CD1 3.5Å; W539-T575 VanDerWaalsContact C-OG1 3.32Å; W539-T575 PolarHBondContact O-N 3.5Å; W539-T575 PolarHBondContact O-OG1 3.37Å
540K98.4Very high97.8Very high30 Ų3047 Ų4713%0.1323%0.229CC..THydrogen-bonded Turntrans-127.737.2176.4-58-174.8-174.7178.20111.8E536 D572 N573 Y574E536-K540 HydrophobicContact CB-CB 4.35Å; E536-K540 HydrophobicContact CB-CD 4.17Å; E536-K540 HydrophobicContact CB-CG 4.32Å; E536-K540 HydrophobicContact CG-CD 3.98Å; E536-K540 HydrophobicContact CG-CG 4.49Å; E536-K540 CarbonylContact O-C 3.41Å; E536-K540 WeakPolarHBondContact O-CA 3.34Å; E536-K540 WeakPolarHBondContact O-CB 3.46Å; E536-K540 PolarHBondContact O-N 3.35Å; E536-K540 WeakPolarHBondContact OE1-CE 3.46Å; E536-K540 IonicContact OE1-NZ 2.74Å; E536-K540 PolarHBondContact OE1-NZ 3.05Å; K540-D572 WeakPolarHBondContact CE-OD2 3.48Å; K540-D572 IonicContact NZ-OD2 3.27Å; K540-D572 PolarHBondContact NZ-OD2 2.97Å; K540-N573 CarbonylContact C-O 3.39Å; K540-N573 WeakPolarHBondContact CA-O 3.22Å; K540-N573 PolarHBondContact O-ND2 3.42Å; K540-Y574 HydrophobicContact CD-CE1 4.27Å; K540-Y574 VanDerWaalsContact CE-CE1 3.49Å; K540-Y574 HydrophobicContact CG-CD1 3.87Å; K540-Y574 HydrophobicContact CG-CE1 3.92Å
541N97.4Very high97.7Very high31 Ų3143.6 Ų43.617%0.16621%0.211CC..  trans-141.760.4-174.8-168.34.9000112.3K537 H543 Q544 V545 T575K537-N541 WeakPolarHBondContact O-CB 3.43Å; K537-N541 PolarHBondContact O-ND2 3.38Å; N541-H543 PolarHBondContact O-N 3.19Å; N541-Q544 PolarHBondContact O-N 2.87Å; N541-V545 HydrophobicContact CB-CG2 4.29Å; N541-V545 PolarHBondContact O-N 2.85Å; N541-V545 VanDerWaalsContact O-N 3.17Å; N541-T575 PolarHBondContact N-OG1 3.24Å; N541-T575 VanDerWaalsContact N-OG1 3.09Å
542P95.8Very high97.4Very high51 Ų5142.8 Ų42.833%0.33121%0.211SC..THydrogen-bonded Turntrans-63.7-12.5-174.925.9-35.9000114.3N573P542-N573 VanDerWaalsContact CD-O 3.24Å; P542-N573 WeakPolarHBondContact CD-O 3.35Å
543H94Very high96.8Very high169 Ų16944.4 Ų44.478%0.78222%0.216SC*.THydrogen-bonded Turntrans-85.7-23.1-179.7-61-57.2000113.6N541N541-H543 PolarHBondContact O-N 3.19Å
544Q95.8Very high96.1Very high67 Ų6741.3 Ų41.331%0.31320%0.2SC..THydrogen-bonded Turntrans-113.9-14.5-179.9-60.9-164.136.800113.6N264 N541N264-Q544 WeakPolarHBondContact CB-O 3.24Å; N264-Q544 PolarHBondContact ND2-O 3.42Å; N264-Q544 VanDerWaalsContact ND2-O 3.09Å; N541-Q544 PolarHBondContact O-N 2.87Å
545V97.9Very high95.6Very high4 Ų438 Ų382%0.02419%0.185CC..EExtended strand (participates in β ladder)trans-114.8127-172.5179.20000111.2P258 N264 L266 W538 N541 T575P258-V545 HydrophobicContact CG-CG2 4.29Å; N264-V545 HydrophobicContact CB-CG2 4.41Å; L266-V545 HydrophobicContact CB-CG1 3.69Å; L266-V545 HydrophobicContact CD2-CG1 4.3Å; W538-V545 HydrophobicContact CE3-CB 4.4Å; W538-V545 HydrophobicContact CE3-CG1 3.68Å; W538-V545 HydrophobicContact CE3-CG2 3.77Å; W538-V545 HydrophobicContact CZ3-CG1 4Å; W538-V545 HydrophobicContact CZ3-CG2 4.17Å; N541-V545 HydrophobicContact CB-CG2 4.29Å; N541-V545 PolarHBondContact O-N 2.85Å; N541-V545 VanDerWaalsContact O-N 3.17Å; V545-T575 HydrophobicContact CB-CG2 4.03Å; V545-T575 HydrophobicContact CG1-CG2 3.86Å
546E97.1Very high95.3Very high58 Ų5836.9 Ų36.927%0.27118%0.181SC..EExtended strand (participates in β ladder)trans-98.2119.7168.6-66.6171.3-14700109.7R263 N264 L266 Y548R263-E546 IonicContact CZ-OE2 2.82Å; R263-E546 VanDerWaalsContact CZ-OE2 3.27Å; R263-E546 IonicContact NE-OE1 3.37Å; R263-E546 PolarHBondContact NE-OE1 2.88Å; R263-E546 IonicContact NE-OE2 2.64Å; R263-E546 PolarHBondContact NE-OE2 3.25Å; R263-E546 IonicContact NH2-OE2 3.19Å; R263-E546 PolarHBondContact NH2-OE2 2.79Å; N264-E546 PolarHBondContact O-N 2.78Å; L266-E546 PolarHBondContact N-O 3.35Å; E546-Y548 HydrophobicContact CB-CE2 4.22Å
547L98.4Very high94.9Very high2 Ų232.9 Ų32.91%0.0116%0.163CC..EExtended strand (participates in β ladder)trans-97.4122.4-179.4175.359.5000111.4L266 T268 W539 N549 T575 V577 S578 H579L266-L547 HydrophobicContact CB-CD1 4.08Å; L266-L547 HydrophobicContact CD2-CD1 3.89Å; L266-L547 HydrophobicContact CG-CD1 3.73Å; L266-L547 WeakPolarHBondContact O-CA 3.26Å; L266-L547 WeakPolarHBondContact O-CD1 3.36Å; T268-L547 HydrophobicContact CG2-CD1 4.18Å; W539-L547 HydrophobicContact CH2-CD1 4.05Å; W539-L547 HydrophobicContact CH2-CD2 4.1Å; W539-L547 HydrophobicContact CZ3-CD1 4.33Å; W539-L547 HydrophobicContact CZ3-CD2 3.62Å; L547-N549 WeakPolarHBondContact CD1-ND2 3.37Å; L547-N549 WeakPolarHBondContact CG-ND2 3.5Å; L547-T575 HydrophobicContact CB-CG2 4.1Å; L547-V577 HydrophobicContact CD2-CB 4.23Å; L547-V577 HydrophobicContact CG-CB 4.35Å; L547-S578 PolarHBondContact N-OG 3.24Å; L547-S578 WeakPolarHBondContact O-CB 3.38Å; L547-S578 PolarHBondContact O-N 2.78Å; L547-H579 PolarHBondContact O-N 3.5Å
548Y98.7Very high94.4Very high0 Ų029.9 Ų29.90%015%0.15CC..EExtended strand (participates in β ladder)trans-108125.9171.1-73.5-107.5000109.9R263 V265 L266 I267 T268 F293 E546 H579 I581 V698R263-Y548 PolarHBondContact NH2-OH 3.14Å; R263-Y548 VanDerWaalsContact NH2-OH 3.15Å; V265-Y548 HydrophobicContact CG1-CD2 3.64Å; V265-Y548 HydrophobicContact CG1-CE2 3.89Å; L266-Y548 PolarHBondContact O-N 3.36Å; I267-Y548 WeakPolarHBondContact CA-O 3.44Å; T268-Y548 PolarHBondContact N-O 3.42Å; F293-Y548 HydrophobicContact CD1-CD1 4.15Å; F293-Y548 HydrophobicContact CD1-CG 4.41Å; F293-Y548 AromaticContact CE1-CD1 3.46Å; F293-Y548 HydrophobicContact CE1-CD1 3.46Å; F293-Y548 VanDerWaalsContact CE1-CD1 3.46Å; F293-Y548 HydrophobicContact CE1-CD2 4.04Å; F293-Y548 AromaticContact CE1-CE1 3.51Å; F293-Y548 HydrophobicContact CE1-CE1 3.51Å; F293-Y548 HydrophobicContact CE1-CE2 4.06Å; F293-Y548 AromaticContact CE1-CG 3.75Å; F293-Y548 HydrophobicContact CE1-CG 3.75Å; F293-Y548 AromaticContact CE1-CZ 3.81Å; F293-Y548 AromaticContact CZ-CD1 3.96Å; F293-Y548 HydrophobicContact CZ-CD1 3.96Å; F293-Y548 AromaticContact CZ-CE1 3.5Å; F293-Y548 HydrophobicContact CZ-CE1 3.5Å; F293-Y548 VanDerWaalsContact CZ-CE1 3.5Å; F293-Y548 HydrophobicContact CZ-CE2 4.32Å; F293-Y548 AromaticContact CZ-CZ 3.7Å; E546-Y548 HydrophobicContact CB-CE2 4.22Å; Y548-H579 WeakPolarHBondContact CA-O 3.35Å; Y548-H579 HydrophobicContact CD1-CB 3.38Å; Y548-H579 AromaticContact CD1-CG 3.78Å; Y548-H579 HydrophobicContact CD2-CB 4.43Å; Y548-H579 AromaticContact CD2-CD2 3.82Å; Y548-H579 HydrophobicContact CE1-CB 3.44Å; Y548-H579 VanDerWaalsContact CE1-CB 3.44Å; Y548-H579 AromaticContact CE1-CD2 3.54Å; Y548-H579 AromaticContact CE1-CG 3.32Å; Y548-H579 AromaticContact CE1-ND1 3.79Å; Y548-H579 HydrophobicContact CE2-CB 4.5Å; Y548-H579 AromaticContact CE2-CD2 3.3Å; Y548-H579 WeakPolarHBondContact CE2-CD2 3.43Å; Y548-H579 AromaticContact CE2-CG 3.99Å; Y548-H579 AromaticContact CE2-NE2 3.82Å; Y548-H579 HydrophobicContact CG-CB 3.91Å; Y548-H579 AromaticContact CZ-CD2 3.14Å; Y548-H579 AromaticContact CZ-CE1 3.88Å; Y548-H579 AromaticContact CZ-CG 3.44Å; Y548-H579 VanDerWaalsContact CZ-CG 3.44Å; Y548-H579 AromaticContact CZ-ND1 3.85Å; Y548-H579 AromaticContact CZ-NE2 3.51Å; Y548-H579 PolarHBondContact OH-CD2 3.49Å; Y548-H579 PolarHBondContact OH-CE1 2.92Å; Y548-H579 PolarHBondContact OH-NE2 3.4Å; Y548-I581 HydrophobicContact CD1-CG1 4.46Å; Y548-V698 HydrophobicContact CD1-CG2 4.28Å; Y548-V698 HydrophobicContact CE1-CG2 3.92Å
549N98.5Very high94.3Very high3 Ų330.1 Ų30.12%0.01615%0.151CC..EExtended strand (participates in β ladder)trans-116.3124.4173.9-62.3164.3000110.2T268 L547 M551 V577 H579 L580 I581T268-N549 PolarHBondContact OG1-ND2 3.46Å; L547-N549 WeakPolarHBondContact CD1-ND2 3.37Å; L547-N549 WeakPolarHBondContact CG-ND2 3.5Å; N549-M551 HydrophobicContact CB-CE 3.59Å; N549-V577 HydrophobicContact CB-CG2 4.14Å; N549-H579 PolarHBondContact N-O 3.19Å; N549-L580 HydrophobicContact CB-CD1 3.82Å; N549-I581 PolarHBondContact O-N 2.87Å
550F98.8Very high94.2Very high0 Ų030.1 Ų30.10%015%0.151CC..EExtended strand (participates in β ladder)trans-105124.8178.1-73.1-100.5000111I267 T268 S269 A270 A290 F293 I581 V698 I700I267-F550 HydrophobicContact CG2-CD2 3.87Å; I267-F550 HydrophobicContact CG2-CE2 3.88Å; T268-F550 PolarHBondContact O-N 3.28Å; S269-F550 WeakPolarHBondContact CA-O 3.31Å; A270-F550 PolarHBondContact N-O 3.38Å; A290-F550 HydrophobicContact CB-CB 3.83Å; A290-F550 HydrophobicContact CB-CD1 4.29Å; A290-F550 HydrophobicContact CB-CD2 3.72Å; A290-F550 HydrophobicContact CB-CE2 4.36Å; A290-F550 HydrophobicContact CB-CG 3.69Å; F293-F550 HydrophobicContact CB-CE1 4.29Å; F293-F550 HydrophobicContact CB-CE2 4.19Å; F293-F550 HydrophobicContact CB-CZ 3.53Å; F293-F550 AromaticContact CD1-CE2 3.95Å; F293-F550 HydrophobicContact CD1-CE2 3.95Å; F293-F550 AromaticContact CD1-CZ 3.82Å; F293-F550 HydrophobicContact CD1-CZ 3.82Å; F293-F550 HydrophobicContact CG-CE2 4.36Å; F293-F550 AromaticContact CG-CZ 3.8Å; F293-F550 HydrophobicContact CG-CZ 3.8Å; F550-I581 WeakPolarHBondContact CA-O 3.2Å; F550-I581 HydrophobicContact CD1-CB 3.87Å; F550-I581 HydrophobicContact CD1-CG1 4.42Å; F550-I581 HydrophobicContact CD1-CG2 3.77Å; F550-I581 HydrophobicContact CE1-CB 3.98Å; F550-I581 HydrophobicContact CE1-CG1 4.12Å; F550-I581 HydrophobicContact CE1-CG2 3.72Å; F550-I581 HydrophobicContact CE2-CG1 4.39Å; F550-I581 HydrophobicContact CG-CB 4.26Å; F550-I581 HydrophobicContact CZ-CB 4.42Å; F550-I581 HydrophobicContact CZ-CG1 4.09Å; F550-V698 HydrophobicContact CE1-CG1 3.58Å; F550-V698 HydrophobicContact CZ-CG1 3.66Å; F550-I700 HydrophobicContact CE1-CD1 4.36Å
551M97.4Very high94.1Very high0 Ų028.7 Ų28.70%015%0.145CC..EExtended strand (participates in β ladder)trans-156.5170-17764.6-166.364.200113.3A270 G285 N549 N555 H559 L580 I581 A582 T583A270-M551 HydrophobicContact CB-CB 3.81Å; G285-M551 CarbonylContact O-C 3.58Å; N549-M551 HydrophobicContact CB-CE 3.59Å; M551-N555 HydrophobicContact CB-CB 3.96Å; M551-N555 HydrophobicContact CG-CB 4.11Å; M551-N555 HydrophobicContact SD-CB 3.72Å; M551-H559 HydrophobicContact CE-CB 3.64Å; M551-H559 VanDerWaalsContact CE-CD2 3.44Å; M551-H559 WeakPolarHBondContact CE-CD2 3.42Å; M551-H559 HydrophobicContact SD-CB 3.92Å; M551-L580 HydrophobicContact CE-CD1 3.34Å; M551-L580 HydrophobicContact SD-CD1 3.75Å; M551-L580 HydrophobicContact SD-CG 4.49Å; M551-I581 PolarHBondContact N-O 2.77Å; M551-A582 HydrophobicContact CG-CB 4.44Å; M551-A582 CarbonylContact O-C 3.55Å; M551-A582 VanDerWaalsContact O-CA 3.24Å; M551-A582 WeakPolarHBondContact O-CA 3.32Å; M551-T583 PolarHBondContact O-N 2.77Å
552A90.9Very high93.9Very high16 Ų1627.9 Ų27.913%0.13214%0.141CC..EExtended strand (participates in β ladder)trans-81.1159.816300000111.4D554 N555 Y585A552-D554 VanDerWaalsContact C-OD1 3.32Å; A552-D554 WeakPolarHBondContact CB-OD1 3.38Å; A552-D554 PolarHBondContact O-N 3.46Å; A552-D554 VanDerWaalsContact O-N 3.13Å; A552-N555 PolarHBondContact O-N 3.01Å; A552-N555 VanDerWaalsContact O-N 3.11Å; A552-Y585 HydrophobicContact CB-CE1 4.45Å
553K86Confident94Very high46 Ų4625.9 Ų25.920%0.213%0.127CC..G310 helixtrans-58.4-24.9-172.866.4-178168.5-166.40115.7I480 N555 V556 T583 E584 Y585 D629I480-K553 HydrophobicContact CD1-CB 3.93Å; K553-N555 VanDerWaalsContact C-N 3.32Å; K553-V556 WeakPolarHBondContact O-CB 3.25Å; K553-V556 WeakPolarHBondContact O-CG2 3.45Å; K553-V556 PolarHBondContact O-N 3.11Å; K553-T583 PolarHBondContact N-O 3.01Å; K553-E584 VanDerWaalsContact CD-OE2 3.29Å; K553-E584 WeakPolarHBondContact CD-OE2 3.36Å; K553-E584 WeakPolarHBondContact CE-OE2 3.48Å; K553-E584 IonicContact NZ-OE2 2.76Å; K553-E584 PolarHBondContact NZ-OE2 3.3Å; K553-Y585 HydrophobicContact CD-CE2 4.36Å; K553-Y585 HydrophobicContact CG-CE2 4.42Å; K553-D629 IonicContact NZ-OD1 3.84Å; K553-D629 PolarHBondContact NZ-OD1 3.18Å
554D82.2Confident94.2Very high79 Ų7918 Ų1842%0.4229%0.091SC..G310 helixtrans-66.5-30.717755.4-26.9000113.3A552 V556 P557A552-D554 VanDerWaalsContact C-OD1 3.32Å; A552-D554 WeakPolarHBondContact CB-OD1 3.38Å; A552-D554 PolarHBondContact O-N 3.46Å; A552-D554 VanDerWaalsContact O-N 3.13Å; D554-V556 VanDerWaalsContact C-N 3.33Å; D554-V556 PolarHBondContact O-N 2.81Å; D554-P557 WeakPolarHBondContact O-CD 2.9Å
555N87.3Confident94.3Very high22 Ų2214.8 Ų14.812%0.1188%0.076CC..G310 helixtrans-81.6-9.5179.7-77.8-12.3000114.1A270 W517 M551 A552 K553 F558 H559A270-N555 WeakPolarHBondContact CB-ND2 3.35Å; W517-N555 WeakPolarHBondContact CH2-OD1 3.42Å; M551-N555 HydrophobicContact CB-CB 3.96Å; M551-N555 HydrophobicContact CG-CB 4.11Å; M551-N555 HydrophobicContact SD-CB 3.72Å; A552-N555 PolarHBondContact O-N 3.01Å; A552-N555 VanDerWaalsContact O-N 3.11Å; K553-N555 VanDerWaalsContact C-N 3.32Å; N555-F558 PolarHBondContact O-N 3.01Å; N555-H559 PolarHBondContact O-N 3.15Å; N555-H559 PolarHBondContact O-ND1 3.15Å
556V92.8Very high94.3Very high0 Ų014.6 Ų14.60%08%0.075CC..Hα-helixtrans-54-50.8-174.8169.40000112.7A477 I480 K553 D554 F558 H559 S560 L580 A582A477-V556 HydrophobicContact CB-CG1 4.26Å; A477-V556 HydrophobicContact CB-CG2 4.11Å; I480-V556 HydrophobicContact CB-CG1 3.99Å; I480-V556 HydrophobicContact CD1-CB 4.42Å; I480-V556 HydrophobicContact CD1-CG2 4.39Å; I480-V556 HydrophobicContact CG2-CB 4.1Å; I480-V556 HydrophobicContact CG2-CG1 3.8Å; K553-V556 WeakPolarHBondContact O-CB 3.25Å; K553-V556 WeakPolarHBondContact O-CG2 3.45Å; K553-V556 PolarHBondContact O-N 3.11Å; D554-V556 VanDerWaalsContact C-N 3.33Å; D554-V556 PolarHBondContact O-N 2.81Å; V556-F558 PolarHBondContact O-N 3.5Å; V556-F558 VanDerWaalsContact O-N 3.15Å; V556-H559 PolarHBondContact O-N 3.01Å; V556-S560 WeakPolarHBondContact O-CB 3.49Å; V556-S560 PolarHBondContact O-N 3.5Å; V556-S560 PolarHBondContact O-OG 3.13Å; V556-L580 HydrophobicContact CG1-CD2 4.11Å; V556-A582 HydrophobicContact CG2-CB 3.52Å
557P89.7Confident94.4Very high9 Ų912 Ų126%0.0586%0.063CC..Hα-helixtrans-59.9-31.6-176-24.636000113.7I480 W484 D554 H559 V561 V562I480-P557 HydrophobicContact CG2-CG 3.95Å; W484-P557 HydrophobicContact CD2-CB 3.99Å; W484-P557 HydrophobicContact CD2-CG 4.4Å; W484-P557 HydrophobicContact CE3-CB 4.4Å; W484-P557 HydrophobicContact CH2-CB 4.07Å; W484-P557 HydrophobicContact CZ2-CB 3.63Å; W484-P557 HydrophobicContact CZ2-CG 3.83Å; W484-P557 HydrophobicContact CZ3-CB 4.42Å; D554-P557 WeakPolarHBondContact O-CD 2.9Å; P557-H559 VanDerWaalsContact C-N 3.33Å; P557-V561 WeakPolarHBondContact O-CA 3.32Å; P557-V561 VanDerWaalsContact O-CB 3.27Å; P557-V561 WeakPolarHBondContact O-CB 3.48Å; P557-V561 PolarHBondContact O-N 3.06Å; P557-V562 PolarHBondContact O-N 2.89Å; P557-V562 VanDerWaalsContact O-N 3.15Å
558F88.6Confident94.4Very high40 Ų4013.7 Ų13.718%0.1757%0.072CC..Iπ-helixtrans-71.6-31.1179.3-57.4-76000112W517 N555 V556 V562 F563W517-F558 HydrophobicContact CB-CD1 3.91Å; W517-F558 HydrophobicContact CB-CE1 3.54Å; W517-F558 HydrophobicContact CB-CZ 4.3Å; W517-F558 AromaticContact CD2-CD1 3.93Å; W517-F558 HydrophobicContact CD2-CD1 3.93Å; W517-F558 HydrophobicContact CD2-CD2 4.21Å; W517-F558 AromaticContact CD2-CE1 3.47Å; W517-F558 HydrophobicContact CD2-CE1 3.47Å; W517-F558 VanDerWaalsContact CD2-CE1 3.47Å; W517-F558 AromaticContact CD2-CE2 3.76Å; W517-F558 HydrophobicContact CD2-CE2 3.76Å; W517-F558 HydrophobicContact CD2-CG 4.28Å; W517-F558 AromaticContact CD2-CZ 3.36Å; W517-F558 HydrophobicContact CD2-CZ 3.36Å; W517-F558 AromaticContact CE2-CZ 3.83Å; W517-F558 HydrophobicContact CE3-CB 4.25Å; W517-F558 AromaticContact CE3-CD1 3.41Å; W517-F558 HydrophobicContact CE3-CD1 3.41Å; W517-F558 VanDerWaalsContact CE3-CD1 3.41Å; W517-F558 AromaticContact CE3-CD2 3.31Å; W517-F558 HydrophobicContact CE3-CD2 3.31Å; W517-F558 AromaticContact CE3-CE1 3.42Å; W517-F558 HydrophobicContact CE3-CE1 3.42Å; W517-F558 VanDerWaalsContact CE3-CE1 3.42Å; W517-F558 AromaticContact CE3-CE2 3.3Å; W517-F558 HydrophobicContact CE3-CE2 3.3Å; W517-F558 AromaticContact CE3-CG 3.35Å; W517-F558 HydrophobicContact CE3-CG 3.35Å; W517-F558 AromaticContact CE3-CZ 3.34Å; W517-F558 HydrophobicContact CE3-CZ 3.34Å; W517-F558 HydrophobicContact CG-CD1 4.22Å; W517-F558 AromaticContact CG-CE1 3.61Å; W517-F558 HydrophobicContact CG-CE1 3.61Å; W517-F558 AromaticContact CG-CZ 3.86Å; W517-F558 HydrophobicContact CG-CZ 3.86Å; W517-F558 AromaticContact CH2-CD2 3.94Å; W517-F558 HydrophobicContact CH2-CD2 3.94Å; W517-F558 AromaticContact CH2-CE2 3.57Å; W517-F558 HydrophobicContact CH2-CE2 3.57Å; W517-F558 HydrophobicContact CH2-CZ 4.14Å; W517-F558 HydrophobicContact CZ2-CE2 4.02Å; W517-F558 HydrophobicContact CZ2-CZ 4.18Å; W517-F558 HydrophobicContact CZ3-CB 4.45Å; W517-F558 HydrophobicContact CZ3-CD1 4.17Å; W517-F558 AromaticContact CZ3-CD2 3.16Å; W517-F558 HydrophobicContact CZ3-CD2 3.16Å; W517-F558 HydrophobicContact CZ3-CE1 4.23Å; W517-F558 AromaticContact CZ3-CE2 3.21Å; W517-F558 HydrophobicContact CZ3-CE2 3.21Å; W517-F558 AromaticContact CZ3-CG 3.66Å; W517-F558 HydrophobicContact CZ3-CG 3.66Å; W517-F558 AromaticContact CZ3-CZ 3.77Å; W517-F558 HydrophobicContact CZ3-CZ 3.77Å; N555-F558 PolarHBondContact O-N 3.01Å; V556-F558 PolarHBondContact O-N 3.5Å; V556-F558 VanDerWaalsContact O-N 3.15Å; F558-V562 HydrophobicContact CD1-CB 4.5Å; F558-V562 HydrophobicContact CD1-CG2 4.12Å; F558-F563 WeakPolarHBondContact O-CB 3.46Å; F558-F563 PolarHBondContact O-N 2.76Å
559H96.8Very high94.4Very high6 Ų613.7 Ų13.73%0.0287%0.072CC..Iπ-helixtrans-99.3-17.3-176.3-62.779.6000113.6Y524 M551 N555 V556 P557 P564 L580Y524-H559 AromaticContact CE2-CD2 3.75Å; Y524-H559 AromaticContact CE2-NE2 3.31Å; Y524-H559 VanDerWaalsContact CE2-NE2 3.31Å; Y524-H559 WeakPolarHBondContact CE2-NE2 3.45Å; Y524-H559 AromaticContact CZ-NE2 3.5Å; Y524-H559 PolarHBondContact OH-NE2 3.22Å; M551-H559 HydrophobicContact CE-CB 3.64Å; M551-H559 VanDerWaalsContact CE-CD2 3.44Å; M551-H559 WeakPolarHBondContact CE-CD2 3.42Å; M551-H559 HydrophobicContact SD-CB 3.92Å; N555-H559 PolarHBondContact O-N 3.15Å; N555-H559 PolarHBondContact O-ND1 3.15Å; V556-H559 PolarHBondContact O-N 3.01Å; P557-H559 VanDerWaalsContact C-N 3.33Å; H559-P564 WeakPolarHBondContact O-CD 3.45Å; H559-P564 WeakPolarHBondContact O-CG 3.27Å; H559-L580 HydrophobicContact CB-CD1 3.91Å
560S96.3Very high94.4Very high0 Ų013.6 Ų13.60%07%0.072CC..Iπ-helixtrans-104.1-15.8175.570.80000114.3T481 V556T481-S560 WeakPolarHBondContact CG2-OG 3.18Å; T481-S560 WeakPolarHBondContact OG1-CB 3.44Å; T481-S560 PolarHBondContact OG1-OG 3.03Å; V556-S560 WeakPolarHBondContact O-CB 3.49Å; V556-S560 PolarHBondContact O-N 3.5Å; V556-S560 PolarHBondContact O-OG 3.13Å
561V95.1Very high94.3Very high0 Ų019.4 Ų19.40%010%0.098CC..Iπ-helixtrans-126.5-68.7-179.7-176.20000111.1L453 L460 T481 W484 L489 P557 F563 C565L453-V561 HydrophobicContact CD1-CG1 4.37Å; L460-V561 HydrophobicContact CD2-CB 4.23Å; L460-V561 HydrophobicContact CD2-CG1 3.84Å; L460-V561 HydrophobicContact CD2-CG2 4.28Å; T481-V561 HydrophobicContact CG2-CG2 4.45Å; W484-V561 HydrophobicContact CB-CG2 4.38Å; L489-V561 HydrophobicContact CD1-CG1 3.8Å; L489-V561 HydrophobicContact CD2-CG1 3.73Å; L489-V561 HydrophobicContact CG-CG1 4.45Å; P557-V561 WeakPolarHBondContact O-CA 3.32Å; P557-V561 VanDerWaalsContact O-CB 3.27Å; P557-V561 WeakPolarHBondContact O-CB 3.48Å; P557-V561 PolarHBondContact O-N 3.06Å; V561-F563 PolarHBondContact O-N 2.92Å; V561-C565 VanDerWaalsContact O-CB 3.24Å; V561-C565 WeakPolarHBondContact O-CB 3.49Å; V561-C565 PolarHBondContact O-N 3.05Å; V561-C565 PolarHBondContact O-SG 3.24Å
562V93.4Very high94.4Very high14 Ų1421 Ų219%0.08511%0.107CC..Iπ-helixtrans-62.5-52.4-166.5-178.90000112.2P557 F558 C565 S566P557-V562 PolarHBondContact O-N 2.89Å; P557-V562 VanDerWaalsContact O-N 3.15Å; F558-V562 HydrophobicContact CD1-CB 4.5Å; F558-V562 HydrophobicContact CD1-CG2 4.12Å; V562-C565 PolarHBondContact O-N 2.85Å; V562-S566 PolarHBondContact O-N 3.43Å; V562-S566 PolarHBondContact O-OG 3.28Å
563F98.1Very high94.7Very high9 Ų924.7 Ų24.74%0.03913%0.125CC..Hα-helixtrans-70-47.1-177.8-175.7-127.2000112.4P521 I522 L525 F558 V561 C565 S566 L567P521-F563 HydrophobicContact CB-CB 3.78Å; P521-F563 HydrophobicContact CB-CD1 3.88Å; P521-F563 HydrophobicContact CB-CD2 3.56Å; P521-F563 HydrophobicContact CB-CE1 4.27Å; P521-F563 HydrophobicContact CB-CE2 4Å; P521-F563 HydrophobicContact CB-CG 3.48Å; P521-F563 VanDerWaalsContact CB-CG 3.48Å; P521-F563 HydrophobicContact CB-CZ 4.31Å; P521-F563 HydrophobicContact CG-CB 4.2Å; P521-F563 HydrophobicContact CG-CG 4.4Å; P521-F563 WeakPolarHBondContact O-CZ 3.31Å; I522-F563 HydrophobicContact CG1-CD2 4.45Å; I522-F563 HydrophobicContact CG1-CE2 3.92Å; L525-F563 HydrophobicContact CD1-CE1 4.48Å; L525-F563 HydrophobicContact CD1-CZ 3.64Å; F558-F563 WeakPolarHBondContact O-CB 3.46Å; F558-F563 PolarHBondContact O-N 2.76Å; V561-F563 PolarHBondContact O-N 2.92Å; F563-C565 VanDerWaalsContact C-N 3.33Å; F563-C565 PolarHBondContact O-N 3.24Å; F563-S566 WeakPolarHBondContact O-CB 3.46Å; F563-S566 PolarHBondContact O-N 3.42Å; F563-L567 HydrophobicContact CD1-CD1 4.01Å; F563-L567 HydrophobicContact CD2-CD1 4.32Å; F563-L567 HydrophobicContact CD2-CD2 4.38Å; F563-L567 HydrophobicContact CD2-CG 4.09Å; F563-L567 HydrophobicContact CE1-CD1 3.57Å; F563-L567 HydrophobicContact CE1-CG 4.36Å; F563-L567 HydrophobicContact CE2-CD1 3.92Å; F563-L567 HydrophobicContact CE2-CD2 3.73Å; F563-L567 HydrophobicContact CE2-CG 3.82Å; F563-L567 HydrophobicContact CG-CD1 4.37Å; F563-L567 HydrophobicContact CG-CG 4.47Å; F563-L567 HydrophobicContact CZ-CD1 3.54Å; F563-L567 HydrophobicContact CZ-CD2 3.99Å; F563-L567 HydrophobicContact CZ-CG 3.98Å; F563-L567 WeakPolarHBondContact O-CG 3.13Å; F563-L567 PolarHBondContact O-N 2.76Å
564P98.2Very high95.3Very high2 Ų223.1 Ų23.11%0.01312%0.118CC..Hα-helixtrans-56-42.1171.7-27.836.1000113.8L460 W463 H559 S566 L567 L568 L576L460-P564 HydrophobicContact CD1-CB 3.7Å; W463-P564 HydrophobicContact CE3-CB 4.04Å; W463-P564 HydrophobicContact CH2-CB 3.93Å; W463-P564 HydrophobicContact CH2-CG 3.61Å; W463-P564 HydrophobicContact CZ2-CG 4.45Å; W463-P564 HydrophobicContact CZ3-CB 3.62Å; W463-P564 HydrophobicContact CZ3-CG 3.68Å; H559-P564 WeakPolarHBondContact O-CD 3.45Å; H559-P564 WeakPolarHBondContact O-CG 3.27Å; P564-S566 VanDerWaalsContact C-N 3.33Å; P564-S566 PolarHBondContact O-N 2.84Å; P564-L567 PolarHBondContact O-N 2.72Å; P564-L568 VanDerWaalsContact O-CB 3.25Å; P564-L568 WeakPolarHBondContact O-CB 3.5Å; P564-L568 WeakPolarHBondContact O-CG 3.37Å; P564-L568 PolarHBondContact O-N 3.21Å; P564-L576 HydrophobicContact CB-CD2 4.47Å
565C98.4Very high96.1Very high0 Ų019.4 Ų19.40%010%0.098CC..Hα-helixtrans-59.5-43.6173.6-790000111.9L453 L456 V561 V562 F563 L567 G569L453-C565 HydrophobicContact CD2-CB 3.63Å; L456-C565 HydrophobicContact CB-CB 4.19Å; L456-C565 HydrophobicContact CD1-CB 3.93Å; L456-C565 WeakPolarHBondContact CD1-O 3.42Å; V561-C565 VanDerWaalsContact O-CB 3.24Å; V561-C565 WeakPolarHBondContact O-CB 3.49Å; V561-C565 PolarHBondContact O-N 3.05Å; V561-C565 PolarHBondContact O-SG 3.24Å; V562-C565 PolarHBondContact O-N 2.85Å; F563-C565 VanDerWaalsContact C-N 3.33Å; F563-C565 PolarHBondContact O-N 3.24Å; C565-L567 PolarHBondContact O-N 3.06Å; C565-G569 PolarHBondContact O-N 3.01Å
566S98.5Very high96.6Very high0 Ų019.5 Ų19.50%010%0.098CC..Hα-helixtrans-61.9-44.1178.6-55.70000111.6L451 V562 F563 P564 A570L451-S566 WeakPolarHBondContact CD2-OG 3.25Å; V562-S566 PolarHBondContact O-N 3.43Å; V562-S566 PolarHBondContact O-OG 3.28Å; F563-S566 WeakPolarHBondContact O-CB 3.46Å; F563-S566 PolarHBondContact O-N 3.42Å; P564-S566 VanDerWaalsContact C-N 3.33Å; P564-S566 PolarHBondContact O-N 2.84Å; S566-A570 WeakPolarHBondContact O-CB 3.45Å; S566-A570 PolarHBondContact O-N 3.36Å
567L98.6Very high96.8Very high4 Ų419.8 Ų19.82%0.02110%0.1CC..Hα-helixtrans-72-41.7179.6-64.1-176.2000112.9I368 F563 P564 C565 A570 Q571 Y574 L576I368-L567 HydrophobicContact CD1-CD2 4.02Å; F563-L567 HydrophobicContact CD1-CD1 4.01Å; F563-L567 HydrophobicContact CD2-CD1 4.32Å; F563-L567 HydrophobicContact CD2-CD2 4.38Å; F563-L567 HydrophobicContact CD2-CG 4.09Å; F563-L567 HydrophobicContact CE1-CD1 3.57Å; F563-L567 HydrophobicContact CE1-CG 4.36Å; F563-L567 HydrophobicContact CE2-CD1 3.92Å; F563-L567 HydrophobicContact CE2-CD2 3.73Å; F563-L567 HydrophobicContact CE2-CG 3.82Å; F563-L567 HydrophobicContact CG-CD1 4.37Å; F563-L567 HydrophobicContact CG-CG 4.47Å; F563-L567 HydrophobicContact CZ-CD1 3.54Å; F563-L567 HydrophobicContact CZ-CD2 3.99Å; F563-L567 HydrophobicContact CZ-CG 3.98Å; F563-L567 WeakPolarHBondContact O-CG 3.13Å; F563-L567 PolarHBondContact O-N 2.76Å; P564-L567 PolarHBondContact O-N 2.72Å; C565-L567 PolarHBondContact O-N 3.06Å; L567-A570 PolarHBondContact O-N 3.49Å; L567-Q571 PolarHBondContact O-N 3.47Å; L567-Y574 HydrophobicContact CB-CD2 3.99Å; L567-Y574 HydrophobicContact CB-CG 4.11Å; L567-Y574 HydrophobicContact CD1-CG 4.35Å; L567-Y574 HydrophobicContact CD2-CD1 3.9Å; L567-Y574 HydrophobicContact CD2-CD2 3.7Å; L567-Y574 HydrophobicContact CD2-CE1 4.14Å; L567-Y574 HydrophobicContact CD2-CE2 3.93Å; L567-Y574 HydrophobicContact CD2-CG 3.7Å; L567-Y574 HydrophobicContact CG-CD2 4.37Å; L567-Y574 HydrophobicContact CG-CG 4.25Å; L567-L576 HydrophobicContact CB-CD2 3.7Å; L567-L576 HydrophobicContact CD1-CD2 3.61Å; L567-L576 HydrophobicContact CG-CD2 4.3Å
568L98.5Very high97.1Very high37 Ų3720.9 Ų20.919%0.19411%0.108CC..Hα-helixtrans-63-46.1174.8-74.4168.1000110.9Q459 L460 W463 P564 A570 Q571 L576Q459-L568 HydrophobicContact CB-CD1 4.49Å; L460-L568 HydrophobicContact CD1-CD1 4.46Å; W463-L568 HydrophobicContact CB-CD1 4.3Å; P564-L568 VanDerWaalsContact O-CB 3.25Å; P564-L568 WeakPolarHBondContact O-CB 3.5Å; P564-L568 WeakPolarHBondContact O-CG 3.37Å; P564-L568 PolarHBondContact O-N 3.21Å; L568-A570 VanDerWaalsContact C-N 3.26Å; L568-A570 PolarHBondContact O-N 2.88Å; L568-Q571 VanDerWaalsContact O-CG 3.31Å; L568-Q571 WeakPolarHBondContact O-CG 3.17Å; L568-Q571 PolarHBondContact O-N 3.36Å; L568-Q571 VanDerWaalsContact O-N 3.08Å; L568-L576 HydrophobicContact CD1-CD1 4.37Å; L568-L576 HydrophobicContact CD2-CD1 3.7Å; L568-L576 HydrophobicContact CG-CD1 3.89Å
569G98.2Very high97.5Very high0 Ų019.7 Ų19.70%010%0.103CC..Hα-helixtrans-66.3-26.8178.100000113.4N375 F377 C565 Q571N375-G569 PolarHBondContact ND2-O 2.96Å; F377-G569 WeakPolarHBondContact CD2-O 3.33Å; F377-G569 WeakPolarHBondContact CE2-O 3.24Å; C565-G569 PolarHBondContact O-N 3.01Å; G569-Q571 VanDerWaalsContact C-N 3.27Å; G569-Q571 PolarHBondContact O-N 3.47Å
570A98.4Very high97.6Very high2 Ų219.4 Ų19.42%0.01710%0.101CC..Hα-helixtrans-71.4-20.5173.100000113.4I368 R371 S566 L567 L568 D572 Y574I368-A570 HydrophobicContact CG2-CB 4.45Å; R371-A570 HydrophobicContact CB-CB 3.96Å; S566-A570 WeakPolarHBondContact O-CB 3.45Å; S566-A570 PolarHBondContact O-N 3.36Å; L567-A570 PolarHBondContact O-N 3.49Å; L568-A570 VanDerWaalsContact C-N 3.26Å; L568-A570 PolarHBondContact O-N 2.88Å; A570-D572 VanDerWaalsContact C-N 3.34Å; A570-D572 PolarHBondContact O-N 3.19Å; A570-Y574 HydrophobicContact CB-CD2 4.45Å; A570-Y574 HydrophobicContact CB-CE2 3.98Å
571Q97.9Very high97.7Very high121 Ų12119.5 Ų19.557%0.56510%0.102SC*.THydrogen-bonded Turntrans52.444.9175.9-61.5-177.6-900114.1L567 L568 G569L567-Q571 PolarHBondContact O-N 3.47Å; L568-Q571 VanDerWaalsContact O-CG 3.31Å; L568-Q571 WeakPolarHBondContact O-CG 3.17Å; L568-Q571 PolarHBondContact O-N 3.36Å; L568-Q571 VanDerWaalsContact O-N 3.08Å; G569-Q571 VanDerWaalsContact C-N 3.27Å; G569-Q571 PolarHBondContact O-N 3.47Å
572D98.1Very high97.8Very high35 Ų3519.6 Ų19.619%0.18710%0.102CC..SBendtrans-122.433.2-172.8-156.940.1000113.3R371 K540 A570 Y574R371-D572 IonicContact CZ-OD1 3.16Å; R371-D572 VanDerWaalsContact CZ-OD1 3.32Å; R371-D572 IonicContact CZ-OD2 3.02Å; R371-D572 IonicContact NE-OD2 3.25Å; R371-D572 IonicContact NH1-OD1 2.66Å; R371-D572 PolarHBondContact NH1-OD1 3.15Å; R371-D572 IonicContact NH1-OD2 2.63Å; R371-D572 PolarHBondContact NH1-OD2 3.25Å; R371-D572 IonicContact NH2-OD1 2.98Å; R371-D572 PolarHBondContact NH2-OD1 3.37Å; R371-D572 IonicContact NH2-OD2 2.7Å; R371-D572 PolarHBondContact NH2-OD2 2.88Å; R371-D572 VanDerWaalsContact NH2-OD2 3.11Å; K540-D572 WeakPolarHBondContact CE-OD2 3.48Å; K540-D572 IonicContact NZ-OD2 3.27Å; K540-D572 PolarHBondContact NZ-OD2 2.97Å; A570-D572 VanDerWaalsContact C-N 3.34Å; A570-D572 PolarHBondContact O-N 3.19Å; D572-Y574 HydrophobicContact CB-CD2 3.95Å; D572-Y574 HydrophobicContact CB-CE2 3.59Å; D572-Y574 PolarHBondContact O-N 3.05Å; D572-Y574 VanDerWaalsContact O-N 3.17Å
573N97.4Very high97.9Very high93 Ų9319 Ų1950%0.49710%0.099SC..  trans54.435.3176.8-165.445.5000114.7K540 P542K540-N573 CarbonylContact C-O 3.39Å; K540-N573 WeakPolarHBondContact CA-O 3.22Å; K540-N573 PolarHBondContact O-ND2 3.42Å; P542-N573 VanDerWaalsContact CD-O 3.24Å; P542-N573 WeakPolarHBondContact CD-O 3.35Å
574Y98.6Very high97.7Very high13 Ų1319.9 Ų19.95%0.05110%0.103CC..  trans-64.4143-178.6-77.4-73.6000113.2I368 L525 W539 K540 L567 A570 D572 L576I368-Y574 HydrophobicContact CG1-CE2 4.36Å; I368-Y574 WeakPolarHBondContact CG1-OH 3.46Å; L525-Y574 HydrophobicContact CD2-CD1 4.1Å; L525-Y574 HydrophobicContact CD2-CE1 3.53Å; W539-Y574 CarbonylContact O-C 3.59Å; W539-Y574 VanDerWaalsContact O-CA 3.31Å; W539-Y574 WeakPolarHBondContact O-CA 3.47Å; W539-Y574 WeakPolarHBondContact O-CD1 3.5Å; K540-Y574 HydrophobicContact CD-CE1 4.27Å; K540-Y574 VanDerWaalsContact CE-CE1 3.49Å; K540-Y574 HydrophobicContact CG-CD1 3.87Å; K540-Y574 HydrophobicContact CG-CE1 3.92Å; L567-Y574 HydrophobicContact CB-CD2 3.99Å; L567-Y574 HydrophobicContact CB-CG 4.11Å; L567-Y574 HydrophobicContact CD1-CG 4.35Å; L567-Y574 HydrophobicContact CD2-CD1 3.9Å; L567-Y574 HydrophobicContact CD2-CD2 3.7Å; L567-Y574 HydrophobicContact CD2-CE1 4.14Å; L567-Y574 HydrophobicContact CD2-CE2 3.93Å; L567-Y574 HydrophobicContact CD2-CG 3.7Å; L567-Y574 HydrophobicContact CG-CD2 4.37Å; L567-Y574 HydrophobicContact CG-CG 4.25Å; A570-Y574 HydrophobicContact CB-CD2 4.45Å; A570-Y574 HydrophobicContact CB-CE2 3.98Å; D572-Y574 HydrophobicContact CB-CD2 3.95Å; D572-Y574 HydrophobicContact CB-CE2 3.59Å; D572-Y574 PolarHBondContact O-N 3.05Å; D572-Y574 VanDerWaalsContact O-N 3.17Å; Y574-L576 PolarHBondContact O-N 3.29Å
575T98.5Very high97.4Very high1 Ų124.1 Ų24.11%0.00612%0.119CC..  trans-69.6114.8165.7-53.30000108.8W538 W539 N541 V545 L547W538-T575 WeakPolarHBondContact O-CB 3.4Å; W538-T575 PolarHBondContact O-OG1 2.85Å; W539-T575 VanDerWaalsContact C-OG1 3.32Å; W539-T575 PolarHBondContact O-N 3.5Å; W539-T575 PolarHBondContact O-OG1 3.37Å; N541-T575 PolarHBondContact N-OG1 3.24Å; N541-T575 VanDerWaalsContact N-OG1 3.09Å; V545-T575 HydrophobicContact CB-CG2 4.03Å; V545-T575 HydrophobicContact CG1-CG2 3.86Å; L547-T575 HydrophobicContact CB-CG2 4.1Å
576L97.8Very high97.3Very high24 Ų2424.5 Ų24.513%0.12612%0.122CC..  trans-97.7160.8176.7-61.1177.4000110.8W463 P564 L567 L568 Y574 S578W463-L576 VanDerWaalsContact CD1-CD1 3.45Å; W463-L576 HydrophobicContact CD2-CD1 4.01Å; W463-L576 HydrophobicContact CG-CD1 3.79Å; W463-L576 HydrophobicContact CZ2-CB 3.85Å; W463-L576 VanDerWaalsContact NE1-CB 3.33Å; P564-L576 HydrophobicContact CB-CD2 4.47Å; L567-L576 HydrophobicContact CB-CD2 3.7Å; L567-L576 HydrophobicContact CD1-CD2 3.61Å; L567-L576 HydrophobicContact CG-CD2 4.3Å; L568-L576 HydrophobicContact CD1-CD1 4.37Å; L568-L576 HydrophobicContact CD2-CD1 3.7Å; L568-L576 HydrophobicContact CG-CD1 3.89Å; Y574-L576 PolarHBondContact O-N 3.29Å; L576-S578 PolarHBondContact O-N 2.96Å
577V97.4Very high97.1Very high5 Ų526.4 Ų26.43%0.0313%0.132CC..EExtended strand (participates in β ladder)trans-61.4124.5-177.561.40000111.8W463 S467 W473 L547 N549 H579 L580W463-V577 HydrophobicContact CH2-CG1 3.61Å; W463-V577 HydrophobicContact CZ2-CG1 3.61Å; W463-V577 WeakPolarHBondContact CZ2-O 3.38Å; S467-V577 PolarHBondContact OG-O 3.04Å; W473-V577 HydrophobicContact CH2-CG1 4.32Å; W473-V577 HydrophobicContact CZ2-CG1 3.84Å; L547-V577 HydrophobicContact CD2-CB 4.23Å; L547-V577 HydrophobicContact CG-CB 4.35Å; N549-V577 HydrophobicContact CB-CG2 4.14Å; V577-H579 WeakPolarHBondContact CG2-O 3.28Å; V577-L580 HydrophobicContact CG2-CB 4.23Å; V577-L580 HydrophobicContact CG2-CD1 4.28Å
578S96.5Very high97Very high32 Ų3226.4 Ų26.422%0.22413%0.131CC..EExtended strand (participates in β ladder)trans-87.1-39.9175.1-550000110.3S467 W473 L547 L576S467-S578 PolarHBondContact OG-O 2.85Å; W473-S578 VanDerWaalsContact CD1-O 3.25Å; W473-S578 PolarHBondContact NE1-O 3.35Å; L547-S578 PolarHBondContact N-OG 3.24Å; L547-S578 WeakPolarHBondContact O-CB 3.38Å; L547-S578 PolarHBondContact O-N 2.78Å; L576-S578 PolarHBondContact O-N 2.96Å
579H97.1Very high96.8Very high16 Ų1626.4 Ų26.47%0.07413%0.13CC..EExtended strand (participates in β ladder)trans-133.9108.2-177.3-53.6-99.6000110.8D472 L547 Y548 N549 V577 I581D472-H579 PolarHBondContact N-ND1 3.39Å; D472-H579 IonicContact OD2-CE1 3.37Å; D472-H579 IonicContact OD2-ND1 3.72Å; L547-H579 PolarHBondContact O-N 3.5Å; Y548-H579 WeakPolarHBondContact CA-O 3.35Å; Y548-H579 HydrophobicContact CD1-CB 3.38Å; Y548-H579 AromaticContact CD1-CG 3.78Å; Y548-H579 HydrophobicContact CD2-CB 4.43Å; Y548-H579 AromaticContact CD2-CD2 3.82Å; Y548-H579 HydrophobicContact CE1-CB 3.44Å; Y548-H579 VanDerWaalsContact CE1-CB 3.44Å; Y548-H579 AromaticContact CE1-CD2 3.54Å; Y548-H579 AromaticContact CE1-CG 3.32Å; Y548-H579 AromaticContact CE1-ND1 3.79Å; Y548-H579 HydrophobicContact CE2-CB 4.5Å; Y548-H579 AromaticContact CE2-CD2 3.3Å; Y548-H579 WeakPolarHBondContact CE2-CD2 3.43Å; Y548-H579 AromaticContact CE2-CG 3.99Å; Y548-H579 AromaticContact CE2-NE2 3.82Å; Y548-H579 HydrophobicContact CG-CB 3.91Å; Y548-H579 AromaticContact CZ-CD2 3.14Å; Y548-H579 AromaticContact CZ-CE1 3.88Å; Y548-H579 AromaticContact CZ-CG 3.44Å; Y548-H579 VanDerWaalsContact CZ-CG 3.44Å; Y548-H579 AromaticContact CZ-ND1 3.85Å; Y548-H579 AromaticContact CZ-NE2 3.51Å; Y548-H579 PolarHBondContact OH-CD2 3.49Å; Y548-H579 PolarHBondContact OH-CE1 2.92Å; Y548-H579 PolarHBondContact OH-NE2 3.4Å; N549-H579 PolarHBondContact N-O 3.19Å; V577-H579 WeakPolarHBondContact CG2-O 3.28Å; H579-I581 HydrophobicContact CB-CD1 4.25Å
580L97.8Very high96.4Very high0 Ų034 Ų340%017%0.171CC..EExtended strand (participates in β ladder)trans-93.9107.6175.2-166.463000110.3W473 T474 A477 N549 M551 V556 H559 V577W473-L580 WeakPolarHBondContact CA-O 3.31Å; W473-L580 HydrophobicContact CD2-CB 3.49Å; W473-L580 VanDerWaalsContact CD2-CB 3.49Å; W473-L580 HydrophobicContact CE3-CB 3.61Å; W473-L580 HydrophobicContact CE3-CD2 3.87Å; W473-L580 HydrophobicContact CE3-CG 4.35Å; W473-L580 HydrophobicContact CG-CB 3.97Å; W473-L580 HydrophobicContact CH2-CB 4.22Å; W473-L580 HydrophobicContact CH2-CD2 3.99Å; W473-L580 HydrophobicContact CZ2-CB 4.14Å; W473-L580 HydrophobicContact CZ3-CB 3.98Å; W473-L580 HydrophobicContact CZ3-CD2 3.54Å; W473-L580 HydrophobicContact CZ3-CG 4.41Å; T474-L580 PolarHBondContact N-O 3.35Å; T474-L580 VanDerWaalsContact N-O 3.13Å; T474-L580 PolarHBondContact OG1-O 2.92Å; A477-L580 HydrophobicContact CB-CD2 4.15Å; A477-L580 HydrophobicContact CB-CG 4.33Å; N549-L580 HydrophobicContact CB-CD1 3.82Å; M551-L580 HydrophobicContact CE-CD1 3.34Å; M551-L580 HydrophobicContact SD-CD1 3.75Å; M551-L580 HydrophobicContact SD-CG 4.49Å; V556-L580 HydrophobicContact CG1-CD2 4.11Å; H559-L580 HydrophobicContact CB-CD1 3.91Å; V577-L580 HydrophobicContact CG2-CB 4.23Å; V577-L580 HydrophobicContact CG2-CD1 4.28Å
581I98.3Very high95.9Very high2 Ų236.5 Ų36.51%0.0119%0.186CC..EExtended strand (participates in β ladder)trans-101.794.7-175.8-48.3-56.9000109.3D472 T474 Y548 N549 F550 M551 H579 V698D472-I581 WeakPolarHBondContact O-CD1 3.44Å; T474-I581 HydrophobicContact CG2-CG2 4.14Å; Y548-I581 HydrophobicContact CD1-CG1 4.46Å; N549-I581 PolarHBondContact O-N 2.87Å; F550-I581 WeakPolarHBondContact CA-O 3.2Å; F550-I581 HydrophobicContact CD1-CB 3.87Å; F550-I581 HydrophobicContact CD1-CG1 4.42Å; F550-I581 HydrophobicContact CD1-CG2 3.77Å; F550-I581 HydrophobicContact CE1-CB 3.98Å; F550-I581 HydrophobicContact CE1-CG1 4.12Å; F550-I581 HydrophobicContact CE1-CG2 3.72Å; F550-I581 HydrophobicContact CE2-CG1 4.39Å; F550-I581 HydrophobicContact CG-CB 4.26Å; F550-I581 HydrophobicContact CZ-CB 4.42Å; F550-I581 HydrophobicContact CZ-CG1 4.09Å; M551-I581 PolarHBondContact N-O 2.77Å; H579-I581 HydrophobicContact CB-CD1 4.25Å; I581-V698 HydrophobicContact CD1-CB 4.09Å; I581-V698 HydrophobicContact CD1-CG1 4.36Å; I581-V698 HydrophobicContact CD1-CG2 3.89Å; I581-V698 HydrophobicContact CG1-CG1 4.24Å; I581-V698 HydrophobicContact CG1-CG2 4.32Å; I581-V698 HydrophobicContact CG2-CG1 4.04Å
582A97Very high95.3Very high1 Ų137.3 Ų37.31%0.00819%0.188CC..EExtended strand (participates in β ladder)trans-103.7127.3179.200000112.2T474 N476 A477 M551 V556T474-A582 PolarHBondContact OG1-N 3.19Å; T474-A582 PolarHBondContact OG1-O 2.94Å; N476-A582 PolarHBondContact ND2-O 3.45Å; N476-A582 PolarHBondContact OD1-O 2.75Å; A477-A582 HydrophobicContact CB-CB 3.94Å; M551-A582 HydrophobicContact CG-CB 4.44Å; M551-A582 CarbonylContact O-C 3.55Å; M551-A582 VanDerWaalsContact O-CA 3.24Å; M551-A582 WeakPolarHBondContact O-CA 3.32Å; V556-A582 HydrophobicContact CG2-CB 3.52Å
583T96.9Very high95Very high2 Ų236.9 Ų36.91%0.01218%0.184CC..EExtended strand (participates in β ladder)trans-93.9157.1172.864.60000112.4G285 M551 K553 R624 P625G285-T583 WeakPolarHBondContact CA-OG1 3.38Å; M551-T583 PolarHBondContact O-N 2.77Å; K553-T583 PolarHBondContact N-O 3.01Å; T583-R624 VanDerWaalsContact CG2-NH2 3.34Å; T583-P625 WeakPolarHBondContact CB-O 3.49Å
584E93.7Very high94.4Very high28 Ų2833 Ų3313%0.13117%0.165CC..  trans-73.7-178.2162.6-62.7-60131.100110.4N476 K553 P625 Q628 D629N476-E584 VanDerWaalsContact CB-OE1 3.25Å; N476-E584 WeakPolarHBondContact CB-OE1 3.37Å; N476-E584 PolarHBondContact ND2-OE1 3.36Å; K553-E584 VanDerWaalsContact CD-OE2 3.29Å; K553-E584 WeakPolarHBondContact CD-OE2 3.36Å; K553-E584 WeakPolarHBondContact CE-OE2 3.48Å; K553-E584 IonicContact NZ-OE2 2.76Å; K553-E584 PolarHBondContact NZ-OE2 3.3Å; E584-P625 HydrophobicContact CB-CB 4.06Å; E584-P625 PolarHBondContact N-O 2.88Å; E584-P625 VanDerWaalsContact O-CG 3.27Å; E584-P625 WeakPolarHBondContact O-CG 3.49Å; E584-Q628 VanDerWaalsContact CB-C 3.43Å; E584-D629 WeakPolarHBondContact CB-OD1 3.24Å
585Y90.9Very high93.6Very high90 Ų9037.3 Ų37.335%0.35318%0.184SC..PPolyproline II helixtrans-84.9147.2-177.2-65.3-53000112.5A552 K553 P625 D629 S630A552-Y585 HydrophobicContact CB-CE1 4.45Å; K553-Y585 HydrophobicContact CD-CE2 4.36Å; K553-Y585 HydrophobicContact CG-CE2 4.42Å; Y585-P625 WeakPolarHBondContact O-CB 3.4Å; Y585-D629 PolarHBondContact N-OD1 3.29Å; Y585-D629 VanDerWaalsContact O-CA 3.25Å; Y585-D629 WeakPolarHBondContact O-CA 3.5Å; Y585-S630 PolarHBondContact O-N 2.88Å
586L96.8Very high92.7Very high9 Ų942.7 Ų42.75%0.04722%0.221CC..EExtended strand (participates in β ladder)trans-94.5117.2162-178.470.4000108.5L280 I284 F593 L620 V623 P625 S630 F632L280-L586 HydrophobicContact CB-CD2 4.24Å; I284-L586 HydrophobicContact CG2-CB 3.96Å; I284-L586 HydrophobicContact CG2-CD2 3.82Å; I284-L586 HydrophobicContact CG2-CG 4.45Å; L586-F593 HydrophobicContact CD2-CE2 4.39Å; L586-F593 HydrophobicContact CD2-CZ 4.34Å; L586-F593 HydrophobicContact CG-CE2 4.3Å; L586-F593 VanDerWaalsContact O-CE2 3.26Å; L586-F593 WeakPolarHBondContact O-CE2 3.48Å; L586-L620 HydrophobicContact CD2-CD2 3.68Å; L586-V623 HydrophobicContact CD1-CG2 4.37Å; L586-P625 HydrophobicContact CB-CG 4.46Å; L586-S630 CarbonylContact C-O 3.57Å; L586-S630 WeakPolarHBondContact CA-O 3.35Å; L586-F632 HydrophobicContact CD1-CB 4.32Å; L586-F632 HydrophobicContact CD2-CB 4.38Å; L586-F632 HydrophobicContact CG-CB 4.47Å
587N94.3Very high91.9Very high39 Ų3948.2 Ų48.221%0.20924%0.24CC..EExtended strand (participates in β ladder)trans-84.3166.6169.1-65.9-42.8000110.5T591 S630 A631 F632N587-T591 WeakPolarHBondContact CB-O 3.33Å; N587-S630 PolarHBondContact N-O 3.4Å; N587-A631 HydrophobicContact CB-CB 4.36Å; N587-A631 WeakPolarHBondContact O-CA 3.46Å; N587-F632 PolarHBondContact O-N 2.91Å
588Y96.4Very high91.4Very high4 Ų449.9 Ų49.92%0.01626%0.258CS..EExtended strand (participates in β ladder)trans-119.2112.9178.4-178.6-95000109.5D590 T591 F593 V599 V601 F632 W634 F819Y588-D590 PolarHBondContact O-N 3.17Å; Y588-T591 CarbonylContact C-O 3.19Å; Y588-T591 PolarHBondContact N-O 3.39Å; Y588-T591 CarbonylContact O-C 3.52Å; Y588-T591 WeakPolarHBondContact O-CG2 3.47Å; Y588-T591 PolarHBondContact O-N 3.49Å; Y588-F593 AromaticContact CD2-CE1 3.85Å; Y588-F593 HydrophobicContact CD2-CE1 3.85Å; Y588-F593 HydrophobicContact CD2-CZ 4.02Å; Y588-F593 HydrophobicContact CG-CE1 4.21Å; Y588-F593 HydrophobicContact CG-CZ 4.37Å; Y588-V599 HydrophobicContact CD1-CG1 3.86Å; Y588-V599 HydrophobicContact CE1-CG1 4.28Å; Y588-V601 HydrophobicContact CE2-CG2 4Å; Y588-F632 HydrophobicContact CD2-CB 4.32Å; Y588-F632 AromaticContact CD2-CD1 3.6Å; Y588-F632 HydrophobicContact CD2-CD1 3.6Å; Y588-F632 HydrophobicContact CD2-CE1 4.35Å; Y588-F632 HydrophobicContact CD2-CG 4.24Å; Y588-F632 AromaticContact CE2-CD1 3.46Å; Y588-F632 HydrophobicContact CE2-CD1 3.46Å; Y588-F632 VanDerWaalsContact CE2-CD1 3.46Å; Y588-F632 AromaticContact CE2-CE1 3.76Å; Y588-F632 HydrophobicContact CE2-CE1 3.76Å; Y588-F632 HydrophobicContact CE2-CG 4.45Å; Y588-W634 AromaticContact CZ-NE1 3.76Å; Y588-W634 PolarHBondContact OH-NE1 2.83Å; Y588-F819 VanDerWaalsContact CE1-O 3.24Å; Y588-F819 WeakPolarHBondContact CE1-O 3.23Å; Y588-F819 WeakPolarHBondContact OH-CB 3.4Å; Y588-F819 PolarHBondContact OH-O 3.2Å
589E94.4Very high91.3Very high37 Ų3749 Ų4917%0.17325%0.252CS..THydrogen-bonded Turntrans49.6-122.5-168.1-59.5-72.6-176.100110.5T591 F632 S633 W634E589-T591 VanDerWaalsContact C-N 3.35Å; E589-F632 WeakPolarHBondContact CA-O 3.35Å; E589-F632 PolarHBondContact N-O 3.14Å; E589-S633 WeakPolarHBondContact OE2-CB 3.21Å; E589-S633 PolarHBondContact OE2-OG 3.23Å; E589-W634 PolarHBondContact OE1-N 3.03Å
590D89.6Confident91.1Very high161 Ų16148.3 Ų48.386%0.86125%0.249SC*.THydrogen-bonded Turntrans-90.77.1178.662.3-27.3000113.6Y588Y588-D590 PolarHBondContact O-N 3.17Å
591T89Confident91.1Very high53 Ų5348.3 Ų48.333%0.32525%0.249SC..BIsolated β-bridgetrans-139.8-173.7-172.3-166.10000113.2N587 Y588 E589 V599N587-T591 WeakPolarHBondContact CB-O 3.33Å; Y588-T591 CarbonylContact C-O 3.19Å; Y588-T591 PolarHBondContact N-O 3.39Å; Y588-T591 CarbonylContact O-C 3.52Å; Y588-T591 WeakPolarHBondContact O-CG2 3.47Å; Y588-T591 PolarHBondContact O-N 3.49Å; E589-T591 VanDerWaalsContact C-N 3.35Å; T591-V599 HydrophobicContact CG2-CG1 3.54Å
592K85.6Confident91Very high138 Ų13848.8 Ų48.860%0.625%0.251SS*.  trans-99.5149.6176.1-64.6-174.6179.6-177.10110.6S594K592-S594 PolarHBondContact O-N 2.84Å
593F90.3Very high90.8Very high27 Ų2748.9 Ų48.912%0.11825%0.252CS..  trans-51.8133167.3-67.9-89.9000110.4H279 L280 L586 Y588H279-F593 HydrophobicContact CB-CB 4.36Å; H279-F593 HydrophobicContact CB-CD1 3.62Å; H279-F593 HydrophobicContact CB-CE1 4.07Å; H279-F593 HydrophobicContact CB-CG 4.04Å; H279-F593 AromaticContact CE1-CD2 3.61Å; H279-F593 AromaticContact CE1-CG 3.79Å; H279-F593 AromaticContact CG-CD1 3.77Å; H279-F593 AromaticContact CG-CG 3.64Å; H279-F593 AromaticContact ND1-CD1 3.62Å; H279-F593 AromaticContact ND1-CD2 3.24Å; H279-F593 WeakPolarHBondContact ND1-CD2 3.49Å; H279-F593 AromaticContact ND1-CE2 3.68Å; H279-F593 AromaticContact ND1-CG 3.22Å; H279-F593 WeakPolarHBondContact ND1-CG 3.31Å; L280-F593 HydrophobicContact CB-CE1 4.24Å; L280-F593 HydrophobicContact CB-CZ 3.98Å; L586-F593 HydrophobicContact CD2-CE2 4.39Å; L586-F593 HydrophobicContact CD2-CZ 4.34Å; L586-F593 HydrophobicContact CG-CE2 4.3Å; L586-F593 VanDerWaalsContact O-CE2 3.26Å; L586-F593 WeakPolarHBondContact O-CE2 3.48Å; Y588-F593 AromaticContact CD2-CE1 3.85Å; Y588-F593 HydrophobicContact CD2-CE1 3.85Å; Y588-F593 HydrophobicContact CD2-CZ 4.02Å; Y588-F593 HydrophobicContact CG-CE1 4.21Å; Y588-F593 HydrophobicContact CG-CZ 4.37Å
594S86.1Confident90.6Very high12 Ų1251.3 Ų51.38%0.08427%0.265CS..BIsolated β-bridgetrans-149107.8-178.8-179.50000111.1K592 S596 R597 G598 V599K592-S594 PolarHBondContact O-N 2.84Å; S594-S596 PolarHBondContact OG-OG 3.02Å; S594-R597 PolarHBondContact O-N 3.35Å; S594-R597 PolarHBondContact OG-N 3.43Å; S594-G598 PolarHBondContact O-N 2.81Å; S594-G598 VanDerWaalsContact O-N 3.09Å; S594-V599 PolarHBondContact N-O 2.89Å; S594-V599 PolarHBondContact O-N 3.45Å
595K82.2Confident90.7Very high103 Ų10353.1 Ų53.145%0.44827%0.274SS..THydrogen-bonded Turntrans-65-40.6177.5-171.7172.2177.7177.30111.8R597 G598 F602K595-R597 VanDerWaalsContact C-N 3.29Å; K595-R597 PolarHBondContact O-N 2.79Å; K595-G598 PolarHBondContact O-N 2.92Å; K595-F602 HydrophobicContact CB-CE1 4.05Å; K595-F602 HydrophobicContact CB-CE2 4.49Å; K595-F602 HydrophobicContact CB-CZ 3.69Å; K595-F602 HydrophobicContact CG-CE1 4.47Å; K595-F602 HydrophobicContact CG-CZ 4.34Å
596S79.2Confident90.9Very high113 Ų11348.8 Ų48.879%0.7926%0.257SS*.THydrogen-bonded Turntrans-67.2-28.8-179.455.70000113.3S594S594-S596 PolarHBondContact OG-OG 3.02Å
597R79.8Confident90.8Very high140 Ų14053.5 Ų53.553%0.52828%0.277SS..THydrogen-bonded Turntrans-96.1-0.5176.5-61.4-170.9-63.6-92.82.5113.6S594 K595 V599 G821S594-R597 PolarHBondContact O-N 3.35Å; S594-R597 PolarHBondContact OG-N 3.43Å; K595-R597 VanDerWaalsContact C-N 3.29Å; K595-R597 PolarHBondContact O-N 2.79Å; R597-V599 HydrophobicContact CB-CG2 3.84Å; R597-V599 PolarHBondContact O-N 3.35Å; R597-G821 WeakPolarHBondContact O-CA 3.32Å
598G88.2Confident90.9Very high40 Ų4056 Ų5641%0.41229%0.291SS..THydrogen-bonded Turntrans62.228.5-174.400000114S594 K595 G821S594-G598 PolarHBondContact O-N 2.81Å; S594-G598 VanDerWaalsContact O-N 3.09Å; K595-G598 PolarHBondContact O-N 2.92Å; G598-G821 WeakPolarHBondContact O-CA 3.49Å; G598-G821 PolarHBondContact O-N 3.11Å
599V92.8Very high90.9Very high14 Ų1456.3 Ų56.39%0.08529%0.293CS..BIsolated β-bridgetrans-101124.5-176.81790000110.1Y588 T591 S594 R597Y588-V599 HydrophobicContact CD1-CG1 3.86Å; Y588-V599 HydrophobicContact CE1-CG1 4.28Å; T591-V599 HydrophobicContact CG2-CG1 3.54Å; S594-V599 PolarHBondContact N-O 2.89Å; S594-V599 PolarHBondContact O-N 3.45Å; R597-V599 HydrophobicContact CB-CG2 3.84Å; R597-V599 PolarHBondContact O-N 3.35Å
600G94.8Very high91Very high2 Ų257.6 Ų57.62%0.02132%0.316CS..SBendtrans101.2163.4176.400000114.6F819G600-F819 PolarHBondContact N-O 3.34Å
601V96.6Very high91.4Very high0 Ų050.1 Ų50.10%028%0.276CS..  trans-89.1124.8177.9-178.70000109.9L280 Y588 A606 W616 W634 F819L280-V601 HydrophobicContact CD1-CB 3.76Å; L280-V601 HydrophobicContact CD1-CG1 4.03Å; L280-V601 HydrophobicContact CD1-CG2 4.46Å; L280-V601 HydrophobicContact CD2-CG1 4.23Å; L280-V601 HydrophobicContact CG-CB 4.02Å; L280-V601 HydrophobicContact CG-CG1 4.14Å; L280-V601 PolarHBondContact N-O 3.26Å; Y588-V601 HydrophobicContact CE2-CG2 4Å; V601-A606 HydrophobicContact CG1-CB 4.19Å; V601-W616 HydrophobicContact CG1-CH2 4Å; V601-W616 HydrophobicContact CG1-CZ3 4.32Å; V601-W616 HydrophobicContact CG2-CH2 4.14Å; V601-W634 HydrophobicContact CG2-CH2 4.49Å; V601-W634 HydrophobicContact CG2-CZ2 3.64Å; V601-F819 HydrophobicContact CG2-CB 4.14Å; V601-F819 HydrophobicContact CG2-CD1 4.15Å; V601-F819 HydrophobicContact CG2-CD2 3.79Å; V601-F819 HydrophobicContact CG2-CE2 4.19Å; V601-F819 HydrophobicContact CG2-CG 3.77Å
602F95.6Very high91.8Very high12 Ų1251.5 Ų51.55%0.05329%0.286CS..BIsolated β-bridgetrans-98.2154172.8-70.5-101.3000110.6V277 H279 K595 D604 M605 A606V277-F602 HydrophobicContact CB-CD1 4.37Å; V277-F602 HydrophobicContact CG1-CB 4.21Å; V277-F602 HydrophobicContact CG1-CD1 4.42Å; V277-F602 WeakPolarHBondContact O-CD1 3.39Å; H279-F602 HydrophobicContact CB-CD1 3.84Å; H279-F602 HydrophobicContact CB-CE1 3.88Å; H279-F602 HydrophobicContact CB-CG 4.28Å; H279-F602 HydrophobicContact CB-CZ 4.34Å; K595-F602 HydrophobicContact CB-CE1 4.05Å; K595-F602 HydrophobicContact CB-CE2 4.49Å; K595-F602 HydrophobicContact CB-CZ 3.69Å; K595-F602 HydrophobicContact CG-CE1 4.47Å; K595-F602 HydrophobicContact CG-CZ 4.34Å; F602-D604 VanDerWaalsContact CB-OD1 3.25Å; F602-D604 WeakPolarHBondContact CB-OD1 3.4Å; F602-D604 PolarHBondContact O-N 3.46Å; F602-M605 HydrophobicContact CB-CE 4.25Å; F602-M605 HydrophobicContact CB-CG 4.33Å; F602-M605 HydrophobicContact CB-SD 4.07Å; F602-M605 HydrophobicContact CD2-CE 4.34Å; F602-M605 HydrophobicContact CD2-SD 4.29Å; F602-M605 WeakPolarHBondContact O-CB 3.43Å; F602-M605 PolarHBondContact O-N 3.1Å; F602-A606 PolarHBondContact O-N 3.25Å; F602-A606 VanDerWaalsContact O-N 3.16Å
603G93.4Very high92.4Very high2 Ų245.7 Ų45.72%0.02126%0.262CS..Hα-helixtrans-62-30.7-170.300000114P278 M605P278-G603 PolarHBondContact O-N 3.03Å; G603-M605 VanDerWaalsContact C-N 3.34Å
604D92.8Very high92.8Very high54 Ų5444.6 Ų44.629%0.28926%0.258SS..Hα-helixtrans-71.1-27.7174.359.8-24.9000113.1V277 I342 F602 K607V277-D604 HydrophobicContact CG1-CB 4.22Å; V277-D604 WeakPolarHBondContact CG1-OD1 3.46Å; I342-D604 HydrophobicContact CD1-CB 4.08Å; I342-D604 HydrophobicContact CG1-CB 4.33Å; F602-D604 VanDerWaalsContact CB-OD1 3.25Å; F602-D604 WeakPolarHBondContact CB-OD1 3.4Å; F602-D604 PolarHBondContact O-N 3.46Å; D604-K607 VanDerWaalsContact O-CE 3.32Å; D604-K607 WeakPolarHBondContact O-CE 3.34Å
605M95.4Very high93.4Very high65 Ų6544.6 Ų44.632%0.3226%0.257SS..Hα-helixtrans-86.2-24.1-179.4-56.9173.7-173.900112.9F602 G603 K607 D608 F819F602-M605 HydrophobicContact CB-CE 4.25Å; F602-M605 HydrophobicContact CB-CG 4.33Å; F602-M605 HydrophobicContact CB-SD 4.07Å; F602-M605 HydrophobicContact CD2-CE 4.34Å; F602-M605 HydrophobicContact CD2-SD 4.29Å; F602-M605 WeakPolarHBondContact O-CB 3.43Å; F602-M605 PolarHBondContact O-N 3.1Å; G603-M605 VanDerWaalsContact C-N 3.34Å; M605-K607 VanDerWaalsContact C-N 3.27Å; M605-K607 PolarHBondContact O-N 2.97Å; M605-D608 PolarHBondContact O-N 2.81Å; M605-F819 HydrophobicContact CB-CE1 3.81Å; M605-F819 HydrophobicContact CB-CZ 4.13Å; M605-F819 HydrophobicContact CG-CE1 4.32Å; M605-F819 HydrophobicContact SD-CD1 4.26Å; M605-F819 HydrophobicContact SD-CE1 3.74Å
606A96.1Very high94.2Very high0 Ų039.7 Ų39.70%024%0.236CC..Hα-helixtrans-58.4-38.2-175.500000112.5W345 F346 V601 F602 D608 T609W345-A606 HydrophobicContact CE3-CB 4.41Å; W345-A606 HydrophobicContact CH2-CB 3.97Å; W345-A606 HydrophobicContact CZ3-CB 3.56Å; F346-A606 HydrophobicContact CE2-CB 4.03Å; F346-A606 HydrophobicContact CZ-CB 3.92Å; V601-A606 HydrophobicContact CG1-CB 4.19Å; F602-A606 PolarHBondContact O-N 3.25Å; F602-A606 VanDerWaalsContact O-N 3.16Å; A606-D608 VanDerWaalsContact C-N 3.27Å; A606-D608 PolarHBondContact O-N 3.25Å; A606-T609 WeakPolarHBondContact O-CB 3.39Å; A606-T609 WeakPolarHBondContact O-CG2 3.35Å; A606-T609 PolarHBondContact O-N 3.39Å; A606-T609 PolarHBondContact O-OG1 3.2Å
607K95.4Very high95.1Very high108 Ų10834.3 Ų34.347%0.4720%0.198SC..G310 helixtrans-63.7-29.717774.5-173.2-179.11780113.8W345 D604 M605 T609W345-K607 HydrophobicContact CD2-CB 3.75Å; W345-K607 VanDerWaalsContact CE2-CB 3.4Å; W345-K607 HydrophobicContact CE3-CB 4.37Å; W345-K607 HydrophobicContact CG-CB 4.1Å; W345-K607 HydrophobicContact CH2-CB 4.36Å; W345-K607 HydrophobicContact CZ2-CB 3.78Å; D604-K607 VanDerWaalsContact O-CE 3.32Å; D604-K607 WeakPolarHBondContact O-CE 3.34Å; M605-K607 VanDerWaalsContact C-N 3.27Å; M605-K607 PolarHBondContact O-N 2.97Å; K607-T609 PolarHBondContact O-N 3.28Å
608D95.4Very high96.1Very high92 Ų9227.7 Ų27.749%0.49217%0.174SC..G310 helixtrans-86.87.8-176-58.1-29.4000112.5M605 A606 R818M605-D608 PolarHBondContact O-N 2.81Å; A606-D608 VanDerWaalsContact C-N 3.27Å; A606-D608 PolarHBondContact O-N 3.25Å; D608-R818 PolarHBondContact O-NH1 3.01Å
609T96.8Very high96.6Very high10 Ų1025.9 Ų25.96%0.06115%0.154CC..G310 helixtrans-87.7-13.7177.5650000113.2A606 K607 I611 W616 L815 F819A606-T609 WeakPolarHBondContact O-CB 3.39Å; A606-T609 WeakPolarHBondContact O-CG2 3.35Å; A606-T609 PolarHBondContact O-N 3.39Å; A606-T609 PolarHBondContact O-OG1 3.2Å; K607-T609 PolarHBondContact O-N 3.28Å; T609-I611 PolarHBondContact O-N 3.05Å; T609-I611 WeakPolarHBondContact OG1-CB 3.29Å; T609-I611 PolarHBondContact OG1-N 3.3Å; T609-W616 HydrophobicContact CG2-CZ2 3.9Å; T609-L815 HydrophobicContact CG2-CD2 3.91Å; T609-F819 HydrophobicContact CG2-CE2 3.86Å; T609-F819 HydrophobicContact CG2-CZ 4.01Å
610G95.8Very high96.8Very high64 Ų6425.2 Ų25.266%0.6615%0.15SC*.SBendtrans74-1.4-170.400000114.1
611I98.1Very high97Very high3 Ų325.1 Ų25.12%0.01515%0.149CC..  trans-86.2124.5175.2-60.7177.8000109T609 V615 W616 W634 M637 L807 L815T609-I611 PolarHBondContact O-N 3.05Å; T609-I611 WeakPolarHBondContact OG1-CB 3.29Å; T609-I611 PolarHBondContact OG1-N 3.3Å; I611-V615 HydrophobicContact CG2-CB 3.69Å; I611-V615 HydrophobicContact CG2-CG1 3.76Å; I611-V615 HydrophobicContact CG2-CG2 4.42Å; I611-W616 HydrophobicContact CB-CZ2 4.46Å; I611-W616 HydrophobicContact CD1-CZ2 4.33Å; I611-W616 PolarHBondContact O-NE1 2.9Å; I611-W634 HydrophobicContact CD1-CH2 4.43Å; I611-W634 HydrophobicContact CD1-CZ3 3.78Å; I611-M637 HydrophobicContact CD1-CE 4.08Å; I611-M637 HydrophobicContact CG2-CE 3.8Å; I611-L807 HydrophobicContact CD1-CD1 4.47Å; I611-L807 HydrophobicContact CD1-CD2 4.1Å; I611-L807 HydrophobicContact CG1-CD2 4.01Å; I611-L815 HydrophobicContact CD1-CD1 3.86Å; I611-L815 HydrophobicContact CG1-CD1 4.47Å
612P97.8Very high97.1Very high83 Ų8327.7 Ų27.754%0.53916%0.159SC..  trans-59.8148.3179.7-23.733.5000113.1D614 V615 W616P612-D614 VanDerWaalsContact C-N 3.27Å; P612-D614 PolarHBondContact O-N 3.18Å; P612-V615 HydrophobicContact CB-CG2 4.37Å; P612-V615 HydrophobicContact CG-CG2 4.44Å; P612-V615 WeakPolarHBondContact O-CB 3.28Å; P612-V615 PolarHBondContact O-N 3.45Å; P612-W616 PolarHBondContact O-N 3.38Å
613S98.3Very high97.3Very high15 Ų1528 Ų2811%0.10516%0.162CC..Hα-helixtrans-59.7-34.7-176.957.50000113.4W345 Q347 V615 W616 R617W345-S613 WeakPolarHBondContact O-CB 3.49Å; W345-S613 PolarHBondContact O-OG 3.45Å; Q347-S613 PolarHBondContact NE2-OG 3.38Å; S613-V615 VanDerWaalsContact C-N 3.28Å; S613-V615 PolarHBondContact O-N 3.28Å; S613-W616 WeakPolarHBondContact O-CB 3.35Å; S613-W616 PolarHBondContact O-N 3.13Å; S613-W616 VanDerWaalsContact O-N 3.12Å; S613-R617 WeakPolarHBondContact O-CG 3.42Å; S613-R617 PolarHBondContact O-N 3.45Å
614D98.7Very high97.5Very high4 Ų428.1 Ų28.12%0.02116%0.162CC..Hα-helixtrans-62.3-31.5175.9-86.98.3000113.5Q347 P612 R617 F618 M759 P760 A761 V762Q347-D614 PolarHBondContact NE2-OD1 2.74Å; P612-D614 VanDerWaalsContact C-N 3.27Å; P612-D614 PolarHBondContact O-N 3.18Å; D614-R617 PolarHBondContact O-N 2.83Å; D614-F618 WeakPolarHBondContact O-CB 3.45Å; D614-F618 PolarHBondContact O-N 3.24Å; D614-M759 HydrophobicContact CB-CB 3.93Å; D614-M759 HydrophobicContact CB-CE 3.9Å; D614-M759 HydrophobicContact CB-CG 4.27Å; D614-M759 VanDerWaalsContact CG-CA 3.47Å; D614-M759 WeakPolarHBondContact O-CE 3.46Å; D614-M759 WeakPolarHBondContact OD2-CA 3.11Å; D614-M759 WeakPolarHBondContact OD2-CB 3.42Å; D614-P760 WeakPolarHBondContact OD1-CD 3.48Å; D614-A761 WeakPolarHBondContact OD2-CA 3.46Å; D614-A761 WeakPolarHBondContact OD2-CB 3.43Å; D614-A761 PolarHBondContact OD2-N 2.87Å; D614-V762 HydrophobicContact CB-CG2 4.05Å; D614-V762 WeakPolarHBondContact OD2-CG2 3.15Å; D614-V762 PolarHBondContact OD2-N 3.5Å
615V98.6Very high97.7Very high12 Ų1225.6 Ų25.67%0.07315%0.148CC..Hα-helixtrans-69.8-38.7175.4-1790000110.2I611 P612 S613 Y619 M637 L807I611-V615 HydrophobicContact CG2-CB 3.69Å; I611-V615 HydrophobicContact CG2-CG1 3.76Å; I611-V615 HydrophobicContact CG2-CG2 4.42Å; P612-V615 HydrophobicContact CB-CG2 4.37Å; P612-V615 HydrophobicContact CG-CG2 4.44Å; P612-V615 WeakPolarHBondContact O-CB 3.28Å; P612-V615 PolarHBondContact O-N 3.45Å; S613-V615 VanDerWaalsContact C-N 3.28Å; S613-V615 PolarHBondContact O-N 3.28Å; V615-Y619 PolarHBondContact O-N 3.39Å; V615-M637 HydrophobicContact CG1-CE 3.84Å; V615-L807 HydrophobicContact CG1-CD1 4.4Å
616W98.8Very high97.5Very high0 Ų023.7 Ų23.70%014%0.139CC..Hα-helixtrans-62.9-47.3171.2-68.698.6000111.8L280 W345 F346 V601 T609 I611 P612 S613 F618 Y619 L620 F632 W634 M637L280-W616 HydrophobicContact CD1-CE3 3.8Å; L280-W616 HydrophobicContact CD1-CH2 4.45Å; L280-W616 HydrophobicContact CD1-CZ3 3.45Å; L280-W616 VanDerWaalsContact CD1-CZ3 3.45Å; L280-W616 HydrophobicContact CD2-CE3 4.39Å; W345-W616 AromaticContact CH2-CD1 3.6Å; W345-W616 AromaticContact CH2-NE1 3.84Å; F346-W616 HydrophobicContact CE1-CB 3.86Å; F346-W616 HydrophobicContact CE1-CG 4.49Å; F346-W616 HydrophobicContact CZ-CB 4.49Å; V601-W616 HydrophobicContact CG1-CH2 4Å; V601-W616 HydrophobicContact CG1-CZ3 4.32Å; V601-W616 HydrophobicContact CG2-CH2 4.14Å; T609-W616 HydrophobicContact CG2-CZ2 3.9Å; I611-W616 HydrophobicContact CB-CZ2 4.46Å; I611-W616 HydrophobicContact CD1-CZ2 4.33Å; I611-W616 PolarHBondContact O-NE1 2.9Å; P612-W616 PolarHBondContact O-N 3.38Å; S613-W616 WeakPolarHBondContact O-CB 3.35Å; S613-W616 PolarHBondContact O-N 3.13Å; S613-W616 VanDerWaalsContact O-N 3.12Å; W616-F618 PolarHBondContact O-N 3.09Å; W616-Y619 PolarHBondContact O-N 3.41Å; W616-L620 WeakPolarHBondContact O-CB 3.41Å; W616-L620 WeakPolarHBondContact O-CG 3.17Å; W616-L620 PolarHBondContact O-N 3.35Å; W616-F632 HydrophobicContact CE3-CE2 4.15Å; W616-F632 HydrophobicContact CH2-CE2 4.48Å; W616-F632 HydrophobicContact CH2-CZ 4.15Å; W616-F632 AromaticContact CZ3-CE2 3.52Å; W616-F632 HydrophobicContact CZ3-CE2 3.52Å; W616-F632 AromaticContact CZ3-CZ 3.6Å; W616-F632 HydrophobicContact CZ3-CZ 3.6Å; W616-W634 AromaticContact CH2-CH2 3.41Å; W616-W634 HydrophobicContact CH2-CH2 3.41Å; W616-W634 VanDerWaalsContact CH2-CH2 3.41Å; W616-W634 AromaticContact CH2-CZ2 3.97Å; W616-W634 HydrophobicContact CH2-CZ2 3.97Å; W616-W634 HydrophobicContact CH2-CZ3 4.05Å; W616-W634 AromaticContact CZ2-CH2 3.9Å; W616-W634 HydrophobicContact CZ2-CH2 3.9Å; W616-W634 HydrophobicContact CZ2-CZ3 4.46Å; W616-W634 HydrophobicContact CZ3-CH2 4.47Å; W616-M637 HydrophobicContact CD2-CE 3.95Å; W616-M637 HydrophobicContact CE3-CE 3.97Å; W616-M637 HydrophobicContact CE3-SD 4.31Å; W616-M637 HydrophobicContact CG-CE 4.42Å; W616-M637 HydrophobicContact CH2-CE 4.49Å; W616-M637 HydrophobicContact CH2-SD 4.39Å; W616-M637 HydrophobicContact CZ2-CE 4.47Å; W616-M637 HydrophobicContact CZ3-CE 4.24Å; W616-M637 HydrophobicContact CZ3-SD 4.09Å
617R98.9Very high97Very high0 Ų027 Ų270%017%0.173CC..Hα-helixtrans-57.7-50.6177.5-67.7176.363.494.73.9110.9L288 D291 F346 Q347 S613 D614 Y619 L621 P757 Y758L288-R617 HydrophobicContact CD1-CB 4.33Å; L288-R617 HydrophobicContact CD1-CG 3.89Å; L288-R617 VanDerWaalsContact CD1-NH1 3.33Å; D291-R617 IonicContact OD2-CZ 3.43Å; D291-R617 IonicContact OD2-NH1 2.73Å; D291-R617 PolarHBondContact OD2-NH1 2.98Å; D291-R617 IonicContact OD2-NH2 2.79Å; D291-R617 PolarHBondContact OD2-NH2 2.7Å; F346-R617 HydrophobicContact CD1-CG 4.49Å; F346-R617 WeakPolarHBondContact O-CD 3.49Å; F346-R617 PolarHBondContact O-NH1 3.22Å; Q347-R617 PolarHBondContact O-NH1 3.47Å; S613-R617 WeakPolarHBondContact O-CG 3.42Å; S613-R617 PolarHBondContact O-N 3.45Å; D614-R617 PolarHBondContact O-N 2.83Å; R617-Y619 PolarHBondContact O-N 2.91Å; R617-L621 HydrophobicContact CB-CD1 4.47Å; R617-L621 VanDerWaalsContact O-CB 3.26Å; R617-L621 WeakPolarHBondContact O-CB 3.28Å; R617-L621 WeakPolarHBondContact O-CD1 3.47Å; R617-L621 WeakPolarHBondContact O-CG 3.48Å; R617-L621 PolarHBondContact O-N 2.82Å; R617-P757 PolarHBondContact NH2-O 2.68Å; R617-Y758 WeakPolarHBondContact CB-O 3.44Å; R617-Y758 PolarHBondContact NE-O 3.49Å
618F98.9Very high96.8Very high2 Ų228.6 Ų28.61%0.00918%0.182CC..Hα-helixtrans-53.9-54.7177.4167.5-101.6000111.7D614 W616 L621 Y622 K640 E644 L645 L704 L708 M759D614-F618 WeakPolarHBondContact O-CB 3.45Å; D614-F618 PolarHBondContact O-N 3.24Å; W616-F618 PolarHBondContact O-N 3.09Å; F618-L621 PolarHBondContact O-N 3.21Å; F618-Y622 HydrophobicContact CE2-CD2 4.33Å; F618-Y622 HydrophobicContact CZ-CD2 4.04Å; F618-Y622 HydrophobicContact CZ-CG 4.5Å; F618-Y622 VanDerWaalsContact O-CB 3.28Å; F618-Y622 WeakPolarHBondContact O-CB 3.41Å; F618-Y622 PolarHBondContact O-N 3.43Å; F618-K640 HydrophobicContact CE1-CB 4.16Å; F618-E644 HydrophobicContact CZ-CB 3.81Å; F618-E644 HydrophobicContact CZ-CG 4.48Å; F618-L645 HydrophobicContact CB-CD1 4.25Å; F618-L645 HydrophobicContact CD1-CD1 3.53Å; F618-L645 HydrophobicContact CD1-CD2 3.98Å; F618-L645 HydrophobicContact CD1-CG 3.73Å; F618-L645 HydrophobicContact CD2-CD2 3.67Å; F618-L645 HydrophobicContact CD2-CG 4.35Å; F618-L645 HydrophobicContact CE1-CD1 4.01Å; F618-L645 HydrophobicContact CE1-CD2 4.05Å; F618-L645 HydrophobicContact CE1-CG 3.71Å; F618-L645 HydrophobicContact CE2-CD2 3.74Å; F618-L645 HydrophobicContact CE2-CG 4.33Å; F618-L645 HydrophobicContact CG-CD1 3.86Å; F618-L645 HydrophobicContact CG-CD2 3.79Å; F618-L645 HydrophobicContact CG-CG 4.06Å; F618-L645 HydrophobicContact CZ-CD2 3.94Å; F618-L645 HydrophobicContact CZ-CG 4.03Å; F618-L704 HydrophobicContact CD2-CD1 4.4Å; F618-L704 HydrophobicContact CD2-CD2 4.03Å; F618-L704 HydrophobicContact CE2-CD1 4.43Å; F618-L704 HydrophobicContact CE2-CD2 4Å; F618-L704 HydrophobicContact CE2-CG 4.47Å; F618-L708 HydrophobicContact CE2-CD1 4.32Å; F618-L708 HydrophobicContact CE2-CD2 4.32Å; F618-M759 HydrophobicContact CB-CE 3.95Å; F618-M759 HydrophobicContact CB-CG 4.15Å; F618-M759 HydrophobicContact CB-SD 3.82Å; F618-M759 HydrophobicContact CD2-SD 4.24Å; F618-M759 HydrophobicContact CG-SD 4.3Å
619Y98.8Very high96.7Very high2 Ų227.2 Ų27.21%0.00817%0.174CC..Hα-helixtrans-64.9-46.6-174.5-177-114.6000111.7V615 W616 R617 L621 Y622 V623 F632 S633 D636 M637 K640V615-Y619 PolarHBondContact O-N 3.39Å; W616-Y619 PolarHBondContact O-N 3.41Å; R617-Y619 PolarHBondContact O-N 2.91Å; Y619-L621 VanDerWaalsContact C-N 3.28Å; Y619-L621 PolarHBondContact O-N 3.04Å; Y619-Y622 WeakPolarHBondContact O-CB 3.4Å; Y619-Y622 PolarHBondContact O-N 3.48Å; Y619-Y622 VanDerWaalsContact O-N 3.14Å; Y619-V623 HydrophobicContact CE1-CG2 4.25Å; Y619-V623 HydrophobicContact CE2-CG1 3.93Å; Y619-V623 WeakPolarHBondContact O-CG2 3.38Å; Y619-V623 PolarHBondContact O-N 3.49Å; Y619-F632 AromaticContact CD1-CD2 3.78Å; Y619-F632 HydrophobicContact CD1-CD2 3.78Å; Y619-F632 AromaticContact CD1-CE2 3.66Å; Y619-F632 HydrophobicContact CD1-CE2 3.66Å; Y619-F632 AromaticContact CE1-CD2 3.51Å; Y619-F632 HydrophobicContact CE1-CD2 3.51Å; Y619-F632 AromaticContact CE1-CE2 3.67Å; Y619-F632 HydrophobicContact CE1-CE2 3.67Å; Y619-F632 HydrophobicContact CE1-CG 4.25Å; Y619-S633 PolarHBondContact OH-N 3.37Å; Y619-S633 PolarHBondContact OH-O 2.93Å; Y619-D636 HydrophobicContact CE2-CB 4.39Å; Y619-D636 WeakPolarHBondContact CE2-OD2 3.38Å; Y619-D636 WeakPolarHBondContact OH-CB 3.24Å; Y619-D636 PolarHBondContact OH-OD2 3.3Å; Y619-M637 HydrophobicContact CD1-CB 3.73Å; Y619-M637 HydrophobicContact CD1-CG 3.77Å; Y619-M637 HydrophobicContact CD1-SD 4.21Å; Y619-M637 HydrophobicContact CD2-CB 4.06Å; Y619-M637 HydrophobicContact CD2-CG 4.23Å; Y619-M637 HydrophobicContact CE1-CB 3.72Å; Y619-M637 HydrophobicContact CE1-CG 4.29Å; Y619-M637 VanDerWaalsContact CE2-CA 3.48Å; Y619-M637 HydrophobicContact CE2-CB 4.06Å; Y619-M637 HydrophobicContact CG-CB 3.91Å; Y619-M637 HydrophobicContact CG-CG 3.74Å; Y619-K640 HydrophobicContact CD2-CB 4.32Å; Y619-K640 HydrophobicContact CE2-CG 4.32Å
620L98.9Very high96.6Very high0 Ų027.7 Ų27.70%018%0.178CC..Hα-helixtrans-61.7-36.8178.7-66.4173.8000112.4L280 I284 L288 F346 L586 W616 V623 R624 F632L280-L620 HydrophobicContact CB-CD1 4.31Å; L280-L620 HydrophobicContact CB-CD2 4.08Å; L280-L620 HydrophobicContact CD1-CD2 4.26Å; L280-L620 HydrophobicContact CD2-CD1 4.23Å; I284-L620 HydrophobicContact CB-CB 4.28Å; I284-L620 HydrophobicContact CD1-CB 3.96Å; I284-L620 VanDerWaalsContact CD1-O 3.26Å; I284-L620 WeakPolarHBondContact CD1-O 3.18Å; I284-L620 HydrophobicContact CG1-CB 4.19Å; I284-L620 WeakPolarHBondContact CG1-O 3.42Å; L288-L620 HydrophobicContact CD2-CB 4.06Å; L288-L620 HydrophobicContact CD2-CD1 4.16Å; F346-L620 HydrophobicContact CE1-CD1 4.37Å; L586-L620 HydrophobicContact CD2-CD2 3.68Å; W616-L620 WeakPolarHBondContact O-CB 3.41Å; W616-L620 WeakPolarHBondContact O-CG 3.17Å; W616-L620 PolarHBondContact O-N 3.35Å; L620-V623 CarbonylContact O-C 3.57Å; L620-R624 WeakPolarHBondContact O-CA 3.38Å; L620-R624 PolarHBondContact O-N 2.95Å; L620-F632 HydrophobicContact CD2-CD2 4.2Å
621L98.9Very high96.6Very high0 Ų026.8 Ų26.80%017%0.165CC..Hα-helixtrans-73.8-33.7176.1-68.1167.6000112.2I284 L288 V292 R617 F618 Y619 V623 R624 I700 L704 Y758I284-L621 HydrophobicContact CD1-CD2 3.77Å; I284-L621 HydrophobicContact CD1-CG 4.28Å; L288-L621 HydrophobicContact CD1-CD1 4.35Å; L288-L621 HydrophobicContact CD2-CD2 4.45Å; L288-L621 HydrophobicContact CD2-CG 4.21Å; L288-L621 HydrophobicContact CG-CD1 4.47Å; L288-L621 HydrophobicContact CG-CD2 4.14Å; L288-L621 HydrophobicContact CG-CG 4.28Å; V292-L621 HydrophobicContact CG2-CD1 3.51Å; V292-L621 HydrophobicContact CG2-CD2 3.68Å; V292-L621 HydrophobicContact CG2-CG 4.27Å; R617-L621 HydrophobicContact CB-CD1 4.47Å; R617-L621 VanDerWaalsContact O-CB 3.26Å; R617-L621 WeakPolarHBondContact O-CB 3.28Å; R617-L621 WeakPolarHBondContact O-CD1 3.47Å; R617-L621 WeakPolarHBondContact O-CG 3.48Å; R617-L621 PolarHBondContact O-N 2.82Å; F618-L621 PolarHBondContact O-N 3.21Å; Y619-L621 VanDerWaalsContact C-N 3.28Å; Y619-L621 PolarHBondContact O-N 3.04Å; L621-V623 VanDerWaalsContact C-N 3.34Å; L621-R624 WeakPolarHBondContact O-CB 3.35Å; L621-R624 PolarHBondContact O-N 3.44Å; L621-I700 HydrophobicContact CD2-CG2 3.76Å; L621-L704 HydrophobicContact CB-CD2 4.48Å; L621-Y758 HydrophobicContact CB-CD1 4.13Å; L621-Y758 HydrophobicContact CB-CE1 4.43Å; L621-Y758 HydrophobicContact CD1-CD1 3.63Å; L621-Y758 HydrophobicContact CD1-CE1 4.38Å; L621-Y758 HydrophobicContact CD1-CG 4.34Å; L621-Y758 HydrophobicContact CG-CD1 4.43Å
622Y98.7Very high96.6Very high53 Ų5326.7 Ų26.721%0.20816%0.164CC..Hα-helixtrans-64.5-38.4174.1-172.4-87.7000111.9F618 Y619 K640 E644 R701 L704 L708F618-Y622 HydrophobicContact CE2-CD2 4.33Å; F618-Y622 HydrophobicContact CZ-CD2 4.04Å; F618-Y622 HydrophobicContact CZ-CG 4.5Å; F618-Y622 VanDerWaalsContact O-CB 3.28Å; F618-Y622 WeakPolarHBondContact O-CB 3.41Å; F618-Y622 PolarHBondContact O-N 3.43Å; Y619-Y622 WeakPolarHBondContact O-CB 3.4Å; Y619-Y622 PolarHBondContact O-N 3.48Å; Y619-Y622 VanDerWaalsContact O-N 3.14Å; Y622-K640 HydrophobicContact CD1-CG 4.21Å; Y622-K640 HydrophobicContact CE1-CD 3.78Å; Y622-K640 HydrophobicContact CE1-CG 3.9Å; Y622-E644 HydrophobicContact CE2-CG 4.48Å; Y622-R701 WeakPolarHBondContact O-CD 3.35Å; Y622-R701 WeakPolarHBondContact O-CG 3.21Å; Y622-L704 HydrophobicContact CD2-CD2 4.22Å; Y622-L708 HydrophobicContact CD2-CD1 4.26Å; Y622-L708 HydrophobicContact CE2-CD1 3.97Å
623V98.1Very high96.6Very high19 Ų1924 Ų2412%0.11515%0.147CC..THydrogen-bonded Turntrans-102.525.3175.4-55.10000113.6L586 Y619 L620 L621 S630L586-V623 HydrophobicContact CD1-CG2 4.37Å; Y619-V623 HydrophobicContact CE1-CG2 4.25Å; Y619-V623 HydrophobicContact CE2-CG1 3.93Å; Y619-V623 WeakPolarHBondContact O-CG2 3.38Å; Y619-V623 PolarHBondContact O-N 3.49Å; L620-V623 CarbonylContact O-C 3.57Å; L621-V623 VanDerWaalsContact C-N 3.34Å; V623-S630 WeakPolarHBondContact O-CB 3.45Å; V623-S630 PolarHBondContact O-OG 3.1Å
624R98.5Very high96.6Very high5 Ų523.3 Ų23.32%0.01914%0.142CC..  trans-56.2127.2-178.4-177.1-176.9-179.8-111.3-4.4111I284 S289 T583 L620 L621 E626 R701I284-R624 HydrophobicContact CD1-CB 4.21Å; I284-R624 HydrophobicContact CD1-CG 4.09Å; I284-R624 HydrophobicContact CG1-CB 4.4Å; I284-R624 HydrophobicContact CG1-CG 4.2Å; S289-R624 PolarHBondContact OG-NE 3.09Å; S289-R624 PolarHBondContact OG-NH2 3.21Å; T583-R624 VanDerWaalsContact CG2-NH2 3.34Å; L620-R624 WeakPolarHBondContact O-CA 3.38Å; L620-R624 PolarHBondContact O-N 2.95Å; L621-R624 WeakPolarHBondContact O-CB 3.35Å; L621-R624 PolarHBondContact O-N 3.44Å; R624-E626 HydrophobicContact CB-CG 4.41Å; R624-E626 HydrophobicContact CG-CG 4.02Å; R624-E626 IonicContact CZ-OE1 3.2Å; R624-E626 VanDerWaalsContact NH1-CG 3.34Å; R624-E626 IonicContact NH1-OE1 3.78Å; R624-E626 PolarHBondContact NH1-OE1 2.88Å; R624-E626 PolarHBondContact O-N 3.38Å; R624-R701 HydrophobicContact CB-CB 4.31Å
625P96.8Very high96.5Very high0 Ų026 Ų260%017%0.166CC..  trans-7977.8-175.431.3-35.2000112T583 E584 Y585 L586 Q628T583-P625 WeakPolarHBondContact CB-O 3.49Å; E584-P625 HydrophobicContact CB-CB 4.06Å; E584-P625 PolarHBondContact N-O 2.88Å; E584-P625 VanDerWaalsContact O-CG 3.27Å; E584-P625 WeakPolarHBondContact O-CG 3.49Å; Y585-P625 WeakPolarHBondContact O-CB 3.4Å; L586-P625 HydrophobicContact CB-CG 4.46Å; P625-Q628 WeakPolarHBondContact CA-O 3.47Å
626E91.8Very high96.5Very high25 Ų2527.7 Ų27.712%0.11717%0.174CC..SBendtrans-84-53.8-176.2-56.5-163.8165.900113.9R624 I700 R701R624-E626 HydrophobicContact CB-CG 4.41Å; R624-E626 HydrophobicContact CG-CG 4.02Å; R624-E626 IonicContact CZ-OE1 3.2Å; R624-E626 VanDerWaalsContact NH1-CG 3.34Å; R624-E626 IonicContact NH1-OE1 3.78Å; R624-E626 PolarHBondContact NH1-OE1 2.88Å; R624-E626 PolarHBondContact O-N 3.38Å; E626-I700 PolarHBondContact OE1-N 3.22Å; E626-R701 HydrophobicContact CG-CB 4.26Å; E626-R701 WeakPolarHBondContact OE1-CB 3.47Å; E626-R701 PolarHBondContact OE1-N 3.17Å
627G86.1Confident96.4Very high69 Ų6927.8 Ų27.871%0.71118%0.175SC*.SBendtrans-101.9-21.7-175.600000114.6
628Q91.1Very high96.4Very high142 Ų14228.4 Ų28.466%0.66418%0.18SC*.SBendtrans-152.2164179.963.6-177.637.700109.3E584 P625E584-Q628 VanDerWaalsContact CB-C 3.43Å; P625-Q628 WeakPolarHBondContact CA-O 3.47Å
629D92.6Very high96.3Very high63 Ų6333 Ų3334%0.33720%0.204SC..  trans-55.1143171.7-72.2-4.2000109.9K553 E584 Y585K553-D629 IonicContact NZ-OD1 3.84Å; K553-D629 PolarHBondContact NZ-OD1 3.18Å; E584-D629 WeakPolarHBondContact CB-OD1 3.24Å; Y585-D629 PolarHBondContact N-OD1 3.29Å; Y585-D629 VanDerWaalsContact O-CA 3.25Å; Y585-D629 WeakPolarHBondContact O-CA 3.5Å
630S95.2Very high96.3Very high20 Ų2034.9 Ų34.914%0.1421%0.212CC..EExtended strand (participates in β ladder)trans-120.1164.2174.5-61.60000109.5Y585 L586 N587 V623Y585-S630 PolarHBondContact O-N 2.88Å; L586-S630 CarbonylContact C-O 3.57Å; L586-S630 WeakPolarHBondContact CA-O 3.35Å; N587-S630 PolarHBondContact N-O 3.4Å; V623-S630 WeakPolarHBondContact O-CB 3.45Å; V623-S630 PolarHBondContact O-OG 3.1Å
631A95.6Very high96.2Very high46 Ų4635 Ų3538%0.3821%0.213SC..EExtended strand (participates in β ladder)trans-123.3132.1177.800000110.1N587N587-A631 HydrophobicContact CB-CB 4.36Å; N587-A631 WeakPolarHBondContact O-CA 3.46Å
632F98.3Very high96.1Very high0 Ų036.5 Ų36.50%022%0.221CC..EExtended strand (participates in β ladder)trans-72127.3166.3175.3-84.6000108.6L280 L586 N587 Y588 E589 W616 Y619 L620 W634 M637L280-F632 HydrophobicContact CD1-CD2 4.02Å; L280-F632 HydrophobicContact CD1-CE2 4.03Å; L586-F632 HydrophobicContact CD1-CB 4.32Å; L586-F632 HydrophobicContact CD2-CB 4.38Å; L586-F632 HydrophobicContact CG-CB 4.47Å; N587-F632 PolarHBondContact O-N 2.91Å; Y588-F632 HydrophobicContact CD2-CB 4.32Å; Y588-F632 AromaticContact CD2-CD1 3.6Å; Y588-F632 HydrophobicContact CD2-CD1 3.6Å; Y588-F632 HydrophobicContact CD2-CE1 4.35Å; Y588-F632 HydrophobicContact CD2-CG 4.24Å; Y588-F632 AromaticContact CE2-CD1 3.46Å; Y588-F632 HydrophobicContact CE2-CD1 3.46Å; Y588-F632 VanDerWaalsContact CE2-CD1 3.46Å; Y588-F632 AromaticContact CE2-CE1 3.76Å; Y588-F632 HydrophobicContact CE2-CE1 3.76Å; Y588-F632 HydrophobicContact CE2-CG 4.45Å; E589-F632 WeakPolarHBondContact CA-O 3.35Å; E589-F632 PolarHBondContact N-O 3.14Å; W616-F632 HydrophobicContact CE3-CE2 4.15Å; W616-F632 HydrophobicContact CH2-CE2 4.48Å; W616-F632 HydrophobicContact CH2-CZ 4.15Å; W616-F632 AromaticContact CZ3-CE2 3.52Å; W616-F632 HydrophobicContact CZ3-CE2 3.52Å; W616-F632 AromaticContact CZ3-CZ 3.6Å; W616-F632 HydrophobicContact CZ3-CZ 3.6Å; Y619-F632 AromaticContact CD1-CD2 3.78Å; Y619-F632 HydrophobicContact CD1-CD2 3.78Å; Y619-F632 AromaticContact CD1-CE2 3.66Å; Y619-F632 HydrophobicContact CD1-CE2 3.66Å; Y619-F632 AromaticContact CE1-CD2 3.51Å; Y619-F632 HydrophobicContact CE1-CD2 3.51Å; Y619-F632 AromaticContact CE1-CE2 3.67Å; Y619-F632 HydrophobicContact CE1-CE2 3.67Å; Y619-F632 HydrophobicContact CE1-CG 4.25Å; L620-F632 HydrophobicContact CD2-CD2 4.2Å; F632-W634 AromaticContact CE1-CD1 3.8Å; F632-W634 AromaticContact CE1-CD2 3.91Å; F632-W634 HydrophobicContact CE1-CD2 3.91Å; F632-W634 AromaticContact CE1-CE2 3.78Å; F632-W634 AromaticContact CE1-CG 3.96Å; F632-W634 HydrophobicContact CE1-CG 3.96Å; F632-W634 HydrophobicContact CE1-CZ2 4.35Å; F632-W634 AromaticContact CE1-NE1 3.71Å; F632-W634 HydrophobicContact CZ-CD2 4.11Å; F632-W634 HydrophobicContact CZ-CE3 4.33Å; F632-W634 HydrophobicContact CZ-CZ2 4.36Å; F632-M637 HydrophobicContact CE2-SD 3.81Å; F632-M637 HydrophobicContact CZ-SD 3.74Å
633S98.1Very high96Very high27 Ų2735.8 Ų35.819%0.18922%0.223CC..  trans-129.9131.9171.1-175.10000111.4E589 Y619 A635 D636 M637E589-S633 WeakPolarHBondContact OE2-CB 3.21Å; E589-S633 PolarHBondContact OE2-OG 3.23Å; Y619-S633 PolarHBondContact OH-N 3.37Å; Y619-S633 PolarHBondContact OH-O 2.93Å; S633-A635 VanDerWaalsContact C-N 3.3Å; S633-A635 PolarHBondContact O-N 3.29Å; S633-D636 PolarHBondContact O-N 3.33Å; S633-M637 WeakPolarHBondContact O-CB 3.47Å; S633-M637 PolarHBondContact O-N 2.95Å
634W98Very high95.9Very high0 Ų035.9 Ų35.90%022%0.223CC..Hα-helixtrans-60.7-40.3177.2-82.7106.1000112.6Y588 E589 V601 I611 W616 F632 M637 A638 I812 L815 K816 F819Y588-W634 AromaticContact CZ-NE1 3.76Å; Y588-W634 PolarHBondContact OH-NE1 2.83Å; E589-W634 PolarHBondContact OE1-N 3.03Å; V601-W634 HydrophobicContact CG2-CH2 4.49Å; V601-W634 HydrophobicContact CG2-CZ2 3.64Å; I611-W634 HydrophobicContact CD1-CH2 4.43Å; I611-W634 HydrophobicContact CD1-CZ3 3.78Å; W616-W634 AromaticContact CH2-CH2 3.41Å; W616-W634 HydrophobicContact CH2-CH2 3.41Å; W616-W634 VanDerWaalsContact CH2-CH2 3.41Å; W616-W634 AromaticContact CH2-CZ2 3.97Å; W616-W634 HydrophobicContact CH2-CZ2 3.97Å; W616-W634 HydrophobicContact CH2-CZ3 4.05Å; W616-W634 AromaticContact CZ2-CH2 3.9Å; W616-W634 HydrophobicContact CZ2-CH2 3.9Å; W616-W634 HydrophobicContact CZ2-CZ3 4.46Å; W616-W634 HydrophobicContact CZ3-CH2 4.47Å; F632-W634 AromaticContact CE1-CD1 3.8Å; F632-W634 AromaticContact CE1-CD2 3.91Å; F632-W634 HydrophobicContact CE1-CD2 3.91Å; F632-W634 AromaticContact CE1-CE2 3.78Å; F632-W634 AromaticContact CE1-CG 3.96Å; F632-W634 HydrophobicContact CE1-CG 3.96Å; F632-W634 HydrophobicContact CE1-CZ2 4.35Å; F632-W634 AromaticContact CE1-NE1 3.71Å; F632-W634 HydrophobicContact CZ-CD2 4.11Å; F632-W634 HydrophobicContact CZ-CE3 4.33Å; F632-W634 HydrophobicContact CZ-CZ2 4.36Å; W634-M637 HydrophobicContact CE3-SD 4.38Å; W634-M637 HydrophobicContact CZ3-SD 4.23Å; W634-M637 PolarHBondContact O-N 3.18Å; W634-A638 PolarHBondContact O-N 2.82Å; W634-I812 HydrophobicContact CB-CG2 3.83Å; W634-I812 HydrophobicContact CE3-CD1 3.9Å; W634-I812 HydrophobicContact CE3-CG2 4.43Å; W634-I812 HydrophobicContact CZ3-CD1 4.25Å; W634-I812 WeakPolarHBondContact O-CG2 3.47Å; W634-L815 HydrophobicContact CD2-CB 4.25Å; W634-L815 HydrophobicContact CE3-CB 4.08Å; W634-L815 HydrophobicContact CE3-CD1 4.4Å; W634-L815 HydrophobicContact CH2-CB 3.6Å; W634-L815 HydrophobicContact CH2-CD1 3.74Å; W634-L815 HydrophobicContact CH2-CD2 4.46Å; W634-L815 HydrophobicContact CH2-CG 4.13Å; W634-L815 HydrophobicContact CZ2-CB 3.8Å; W634-L815 HydrophobicContact CZ3-CB 3.76Å; W634-L815 HydrophobicContact CZ3-CD1 3.55Å; W634-L815 HydrophobicContact CZ3-CG 4.26Å; W634-K816 HydrophobicContact CB-CB 4.09Å; W634-K816 HydrophobicContact CB-CD 4.47Å; W634-K816 HydrophobicContact CB-CG 4.36Å; W634-K816 HydrophobicContact CG-CB 3.91Å; W634-K816 HydrophobicContact CG-CG 4.33Å; W634-F819 HydrophobicContact CH2-CD2 4.41Å; W634-F819 HydrophobicContact CH2-CE2 4.42Å; W634-F819 AromaticContact CZ2-CD2 3.55Å; W634-F819 HydrophobicContact CZ2-CD2 3.55Å; W634-F819 AromaticContact CZ2-CE2 3.97Å; W634-F819 HydrophobicContact CZ2-CE2 3.97Å
635A96.7Very high95.9Very high62 Ų6235.7 Ų35.751%0.51222%0.222SC..Hα-helixtrans-66.2-43.4179.100000111.5S633 A638 L639S633-A635 VanDerWaalsContact C-N 3.3Å; S633-A635 PolarHBondContact O-N 3.29Å; A635-A638 PolarHBondContact O-N 3.19Å; A635-L639 WeakPolarHBondContact O-CB 3.5Å; A635-L639 PolarHBondContact O-N 2.95Å
636D97.5Very high95.9Very high47 Ų4737.7 Ų37.725%0.25123%0.232SC..Hα-helixtrans-71.2-36.5178.2-176.558.5000111.7Y619 S633 A638 L639 K640Y619-D636 HydrophobicContact CE2-CB 4.39Å; Y619-D636 WeakPolarHBondContact CE2-OD2 3.38Å; Y619-D636 WeakPolarHBondContact OH-CB 3.24Å; Y619-D636 PolarHBondContact OH-OD2 3.3Å; S633-D636 PolarHBondContact O-N 3.33Å; D636-A638 PolarHBondContact O-N 3.08Å; D636-L639 PolarHBondContact O-N 3.43Å; D636-K640 WeakPolarHBondContact O-CG 3.45Å; D636-K640 PolarHBondContact O-N 2.96Å; D636-K640 WeakPolarHBondContact OD1-CE 3.21Å
637M98.2Very high96.1Very high2 Ų241.7 Ų41.71%0.0126%0.255CS..Hα-helixtrans-57.4-47.7171.7-176178.9-179.700111.8I611 V615 W616 Y619 F632 S633 W634 K640 N641I611-M637 HydrophobicContact CD1-CE 4.08Å; I611-M637 HydrophobicContact CG2-CE 3.8Å; V615-M637 HydrophobicContact CG1-CE 3.84Å; W616-M637 HydrophobicContact CD2-CE 3.95Å; W616-M637 HydrophobicContact CE3-CE 3.97Å; W616-M637 HydrophobicContact CE3-SD 4.31Å; W616-M637 HydrophobicContact CG-CE 4.42Å; W616-M637 HydrophobicContact CH2-CE 4.49Å; W616-M637 HydrophobicContact CH2-SD 4.39Å; W616-M637 HydrophobicContact CZ2-CE 4.47Å; W616-M637 HydrophobicContact CZ3-CE 4.24Å; W616-M637 HydrophobicContact CZ3-SD 4.09Å; Y619-M637 HydrophobicContact CD1-CB 3.73Å; Y619-M637 HydrophobicContact CD1-CG 3.77Å; Y619-M637 HydrophobicContact CD1-SD 4.21Å; Y619-M637 HydrophobicContact CD2-CB 4.06Å; Y619-M637 HydrophobicContact CD2-CG 4.23Å; Y619-M637 HydrophobicContact CE1-CB 3.72Å; Y619-M637 HydrophobicContact CE1-CG 4.29Å; Y619-M637 VanDerWaalsContact CE2-CA 3.48Å; Y619-M637 HydrophobicContact CE2-CB 4.06Å; Y619-M637 HydrophobicContact CG-CB 3.91Å; Y619-M637 HydrophobicContact CG-CG 3.74Å; F632-M637 HydrophobicContact CE2-SD 3.81Å; F632-M637 HydrophobicContact CZ-SD 3.74Å; S633-M637 WeakPolarHBondContact O-CB 3.47Å; S633-M637 PolarHBondContact O-N 2.95Å; W634-M637 HydrophobicContact CE3-SD 4.38Å; W634-M637 HydrophobicContact CZ3-SD 4.23Å; W634-M637 PolarHBondContact O-N 3.18Å; M637-K640 PolarHBondContact O-N 2.9Å; M637-N641 WeakPolarHBondContact O-CB 3.32Å; M637-N641 PolarHBondContact O-N 3.04Å
638A97.6Very high96.7Very high13 Ų1339 Ų3911%0.10722%0.224CC..Hα-helixtrans-62.3-44.2176.700000111.8W634 A635 D636 N642 L807 I812W634-A638 PolarHBondContact O-N 2.82Å; A635-A638 PolarHBondContact O-N 3.19Å; D636-A638 PolarHBondContact O-N 3.08Å; A638-N642 WeakPolarHBondContact O-CB 3.31Å; A638-N642 PolarHBondContact O-N 3.12Å; A638-N642 PolarHBondContact O-ND2 3.22Å; A638-L807 HydrophobicContact CB-CB 4.25Å; A638-I812 HydrophobicContact CB-CD1 4.04Å; A638-I812 HydrophobicContact CB-CG1 3.79Å; A638-I812 HydrophobicContact CB-CG2 4.22Å
639L97.3Very high97Very high98 Ų9832.3 Ų32.351%0.51319%0.193SC..Hα-helixtrans-58.9-52.5177-179.764.9000111A635 D636 N642 S643A635-L639 WeakPolarHBondContact O-CB 3.5Å; A635-L639 PolarHBondContact O-N 2.95Å; D636-L639 PolarHBondContact O-N 3.43Å; L639-N642 PolarHBondContact O-N 3.25Å; L639-S643 VanDerWaalsContact O-CB 3.3Å; L639-S643 WeakPolarHBondContact O-CB 3.44Å; L639-S643 PolarHBondContact O-N 3.32Å; L639-S643 PolarHBondContact O-OG 3.28Å
640K97.6Very high97.2Very high42 Ų4229.3 Ų29.318%0.18318%0.177CC..Hα-helixtrans-68.6-35.2-178-62.2-51.6174.5-164.50113.1F618 Y619 Y622 D636 M637 E644 L645F618-K640 HydrophobicContact CE1-CB 4.16Å; Y619-K640 HydrophobicContact CD2-CB 4.32Å; Y619-K640 HydrophobicContact CE2-CG 4.32Å; Y622-K640 HydrophobicContact CD1-CG 4.21Å; Y622-K640 HydrophobicContact CE1-CD 3.78Å; Y622-K640 HydrophobicContact CE1-CG 3.9Å; D636-K640 WeakPolarHBondContact O-CG 3.45Å; D636-K640 PolarHBondContact O-N 2.96Å; D636-K640 WeakPolarHBondContact OD1-CE 3.21Å; M637-K640 PolarHBondContact O-N 2.9Å; K640-E644 HydrophobicContact CD-CG 4.37Å; K640-E644 WeakPolarHBondContact O-CA 3.29Å; K640-E644 VanDerWaalsContact O-CB 3.28Å; K640-E644 WeakPolarHBondContact O-CB 3.48Å; K640-E644 PolarHBondContact O-N 2.86Å; K640-L645 PolarHBondContact O-N 2.81Å
641N98.2Very high97.3Very high3 Ų331.1 Ų31.12%0.01619%0.185CC..Iπ-helixtrans-59-52169.6178.284.6000110.8M637 L645 L646 Q805 L807M637-N641 WeakPolarHBondContact O-CB 3.32Å; M637-N641 PolarHBondContact O-N 3.04Å; N641-L645 WeakPolarHBondContact O-CA 3.41Å; N641-L645 VanDerWaalsContact O-CB 3.3Å; N641-L645 WeakPolarHBondContact O-CB 3.46Å; N641-L645 PolarHBondContact O-N 2.84Å; N641-L645 VanDerWaalsContact O-N 3.16Å; N641-L646 PolarHBondContact O-N 2.95Å; N641-Q805 PolarHBondContact ND2-O 3.35Å; N641-L807 HydrophobicContact CB-CD1 3.63Å; N641-L807 HydrophobicContact CB-CG 4.11Å
642N96.9Very high97.5Very high30 Ų3028.9 Ų28.916%0.1617%0.167CC..Iπ-helixtrans-71.5-36.3-173.7-64.6-13.5000111.8A638 L639 L646 N647 L807A638-N642 WeakPolarHBondContact O-CB 3.31Å; A638-N642 PolarHBondContact O-N 3.12Å; A638-N642 PolarHBondContact O-ND2 3.22Å; L639-N642 PolarHBondContact O-N 3.25Å; N642-L646 WeakPolarHBondContact O-CB 3.39Å; N642-N647 WeakPolarHBondContact O-CB 3.25Å; N642-N647 PolarHBondContact O-N 3.37Å; N642-N647 PolarHBondContact O-ND2 3.02Å; N642-L807 PolarHBondContact ND2-O 3.14Å; N642-L807 PolarHBondContact OD1-N 3.44Å
643S95.6Very high97.4Very high38 Ų3829.1 Ų29.127%0.26617%0.168SC..Iπ-helixtrans-82.9-49.7-178.770.50000113.2L639 N648L639-S643 VanDerWaalsContact O-CB 3.3Å; L639-S643 WeakPolarHBondContact O-CB 3.44Å; L639-S643 PolarHBondContact O-N 3.32Å; L639-S643 PolarHBondContact O-OG 3.28Å; S643-N648 PolarHBondContact O-N 2.93Å
644E97.3Very high97.3Very high22 Ų2229.6 Ų29.610%0.10317%0.168CC..Iπ-helixtrans-91.4-43.9-171.9-61.9-63.2171.900112.7F618 Y622 K640 N648 L649 L708 R712F618-E644 HydrophobicContact CZ-CB 3.81Å; F618-E644 HydrophobicContact CZ-CG 4.48Å; Y622-E644 HydrophobicContact CE2-CG 4.48Å; K640-E644 HydrophobicContact CD-CG 4.37Å; K640-E644 WeakPolarHBondContact O-CA 3.29Å; K640-E644 VanDerWaalsContact O-CB 3.28Å; K640-E644 WeakPolarHBondContact O-CB 3.48Å; K640-E644 PolarHBondContact O-N 2.86Å; E644-N648 WeakPolarHBondContact O-CB 3.28Å; E644-N648 PolarHBondContact OE2-ND2 3.21Å; E644-L649 WeakPolarHBondContact O-CB 3.2Å; E644-L649 PolarHBondContact O-N 3.46Å; E644-L708 HydrophobicContact CB-CD1 4.24Å; E644-L708 HydrophobicContact CB-CD2 4.18Å; E644-L708 HydrophobicContact CG-CD1 4.19Å; E644-R712 IonicContact OE1-NH2 3.52Å; E644-R712 PolarHBondContact OE1-NH2 2.64Å; E644-R712 IonicContact OE2-CZ 2.7Å; E644-R712 IonicContact OE2-NE 2.64Å; E644-R712 IonicContact OE2-NH2 3.26Å; E644-R712 PolarHBondContact OE2-NH2 3.37Å
645L98.1Very high97.3Very high0 Ų031.4 Ų31.40%018%0.175CC..Iπ-helixtrans-79-56.6179.1-60.8-178.2000110.9F618 K640 N641 L649 G650 M759 F804F618-L645 HydrophobicContact CB-CD1 4.25Å; F618-L645 HydrophobicContact CD1-CD1 3.53Å; F618-L645 HydrophobicContact CD1-CD2 3.98Å; F618-L645 HydrophobicContact CD1-CG 3.73Å; F618-L645 HydrophobicContact CD2-CD2 3.67Å; F618-L645 HydrophobicContact CD2-CG 4.35Å; F618-L645 HydrophobicContact CE1-CD1 4.01Å; F618-L645 HydrophobicContact CE1-CD2 4.05Å; F618-L645 HydrophobicContact CE1-CG 3.71Å; F618-L645 HydrophobicContact CE2-CD2 3.74Å; F618-L645 HydrophobicContact CE2-CG 4.33Å; F618-L645 HydrophobicContact CG-CD1 3.86Å; F618-L645 HydrophobicContact CG-CD2 3.79Å; F618-L645 HydrophobicContact CG-CG 4.06Å; F618-L645 HydrophobicContact CZ-CD2 3.94Å; F618-L645 HydrophobicContact CZ-CG 4.03Å; K640-L645 PolarHBondContact O-N 2.81Å; N641-L645 WeakPolarHBondContact O-CA 3.41Å; N641-L645 VanDerWaalsContact O-CB 3.3Å; N641-L645 WeakPolarHBondContact O-CB 3.46Å; N641-L645 PolarHBondContact O-N 2.84Å; N641-L645 VanDerWaalsContact O-N 3.16Å; L645-L649 HydrophobicContact CD2-CD2 4.22Å; L645-G650 VanDerWaalsContact O-CA 3.31Å; L645-G650 WeakPolarHBondContact O-CA 3.44Å; L645-G650 PolarHBondContact O-N 3.39Å; L645-M759 HydrophobicContact CD1-CE 3.87Å; L645-M759 HydrophobicContact CD2-CE 4.03Å; L645-M759 HydrophobicContact CD2-SD 3.9Å; L645-F804 HydrophobicContact CB-CD1 4.07Å; L645-F804 HydrophobicContact CB-CD2 3.89Å; L645-F804 HydrophobicContact CB-CE1 4.23Å; L645-F804 HydrophobicContact CB-CE2 4.06Å; L645-F804 HydrophobicContact CB-CG 3.89Å; L645-F804 HydrophobicContact CB-CZ 4.22Å; L645-F804 HydrophobicContact CD1-CD1 4.25Å; L645-F804 HydrophobicContact CD1-CE1 4.21Å; L645-F804 HydrophobicContact CD2-CE1 4.24Å; L645-F804 HydrophobicContact CD2-CE2 4.43Å; L645-F804 HydrophobicContact CD2-CZ 3.99Å; L645-F804 HydrophobicContact CG-CE1 4.48Å; L645-F804 WeakPolarHBondContact O-CD2 3.25Å; L645-F804 WeakPolarHBondContact O-CE2 3.43Å
646L96.5Very high97.1Very high42 Ų4228.5 Ų28.522%0.2215%0.151CC..Iπ-helixtrans-73.5-57.2-173.7-175.268.5000112.2N641 N642 N651 F804 K806N641-L646 PolarHBondContact O-N 2.95Å; N642-L646 WeakPolarHBondContact O-CB 3.39Å; L646-N651 WeakPolarHBondContact O-CB 3.32Å; L646-N651 PolarHBondContact O-N 3.46Å; L646-F804 HydrophobicContact CD1-CB 4.26Å; L646-F804 WeakPolarHBondContact CD1-O 3.49Å; L646-K806 HydrophobicContact CD2-CB 3.81Å; L646-K806 HydrophobicContact CD2-CG 4.24Å
647N95.1Very high97Very high110 Ų11026.3 Ų26.359%0.58814%0.139SC*.Iπ-helixtrans-81.3-17.9-171.2-68.9-16.2000114.6N642 N651N642-N647 WeakPolarHBondContact O-CB 3.25Å; N642-N647 PolarHBondContact O-N 3.37Å; N642-N647 PolarHBondContact O-ND2 3.02Å; N647-N651 VanDerWaalsContact O-CB 3.29Å; N647-N651 WeakPolarHBondContact O-CB 3.42Å
648N98.3Very high97Very high12 Ų1229.8 Ų29.86%0.06416%0.157CC..Iπ-helixtrans-110.1-80179.8173.823.8000111.5S643 E644 N651 F652 L708 S711 R712 N715S643-N648 PolarHBondContact O-N 2.93Å; E644-N648 WeakPolarHBondContact O-CB 3.28Å; E644-N648 PolarHBondContact OE2-ND2 3.21Å; N648-N651 PolarHBondContact O-N 3.02Å; N648-F652 WeakPolarHBondContact O-CB 3.42Å; N648-F652 PolarHBondContact O-N 3.18Å; N648-L708 PolarHBondContact ND2-O 3.11Å; N648-L708 VanDerWaalsContact ND2-O 3.12Å; N648-S711 PolarHBondContact ND2-OG 3.33Å; N648-S711 VanDerWaalsContact OD1-C 3.27Å; N648-S711 WeakPolarHBondContact OD1-CB 3.45Å; N648-S711 PolarHBondContact OD1-OG 3.23Å; N648-R712 WeakPolarHBondContact ND2-CG 3.39Å; N648-R712 WeakPolarHBondContact OD1-CG 3.09Å; N648-R712 PolarHBondContact OD1-N 3.17Å; N648-N715 PolarHBondContact O-ND2 2.84Å; N648-N715 PolarHBondContact OD1-ND2 3.15Å
649L98.1Very high97Very high1 Ų129.6 Ų29.61%0.00515%0.153CC..Iπ-helixtrans-60.9-52.7-172.7179.962.1000112.5E644 L645 F652 I653 L751 L755 F804E644-L649 WeakPolarHBondContact O-CB 3.2Å; E644-L649 PolarHBondContact O-N 3.46Å; L645-L649 HydrophobicContact CD2-CD2 4.22Å; L649-F652 PolarHBondContact O-N 2.99Å; L649-I653 HydrophobicContact CD1-CD1 3.71Å; L649-I653 HydrophobicContact CG-CD1 4.06Å; L649-I653 WeakPolarHBondContact O-CG1 3.3Å; L649-I653 PolarHBondContact O-N 3.05Å; L649-I653 VanDerWaalsContact O-N 3.14Å; L649-L751 HydrophobicContact CD1-CD1 3.99Å; L649-L751 HydrophobicContact CD1-CD2 4.31Å; L649-L755 HydrophobicContact CD2-CD1 4.19Å; L649-L755 HydrophobicContact CD2-CD2 4.07Å; L649-F804 HydrophobicContact CB-CE2 4.45Å; L649-F804 HydrophobicContact CD2-CE2 4.25Å; L649-F804 HydrophobicContact CD2-CZ 4.13Å; L649-F804 HydrophobicContact CG-CE2 4.28Å
650G97.6Very high97Very high0 Ų024.9 Ų24.90%013%0.129CC..Iπ-helixtrans-64.1-46.2179.300000112.1L645 F652 I653 N654L645-G650 VanDerWaalsContact O-CA 3.31Å; L645-G650 WeakPolarHBondContact O-CA 3.44Å; L645-G650 PolarHBondContact O-N 3.39Å; G650-F652 VanDerWaalsContact C-N 3.32Å; G650-F652 PolarHBondContact O-N 2.76Å; G650-I653 PolarHBondContact O-N 2.96Å; G650-N654 WeakPolarHBondContact O-CB 3.31Å; G650-N654 PolarHBondContact O-N 3.11Å; G650-N654 PolarHBondContact O-ND2 3.38Å; G650-N654 VanDerWaalsContact O-ND2 3.12Å
651N97.1Very high96.9Very high58 Ų5825.9 Ų25.931%0.3114%0.138SC..Hα-helixtrans-56.4-45.8176.7-175.862.8000112.1L646 N647 N648 R655 N715L646-N651 WeakPolarHBondContact O-CB 3.32Å; L646-N651 PolarHBondContact O-N 3.46Å; N647-N651 VanDerWaalsContact O-CB 3.29Å; N647-N651 WeakPolarHBondContact O-CB 3.42Å; N648-N651 PolarHBondContact O-N 3.02Å; N651-R655 WeakPolarHBondContact O-CB 3.4Å; N651-R655 WeakPolarHBondContact O-CG 3.43Å; N651-R655 PolarHBondContact O-N 2.72Å; N651-N715 PolarHBondContact ND2-OD1 2.79Å
652F98.5Very high96.8Very high0 Ų032.6 Ų32.60%017%0.167CC..Hα-helixtrans-61-54178.7175.9-113.8000111.8N648 L649 G650 N654 R655 G656 G714 N715 I718 S744 I747 A748 L751N648-F652 WeakPolarHBondContact O-CB 3.42Å; N648-F652 PolarHBondContact O-N 3.18Å; L649-F652 PolarHBondContact O-N 2.99Å; G650-F652 VanDerWaalsContact C-N 3.32Å; G650-F652 PolarHBondContact O-N 2.76Å; F652-N654 PolarHBondContact O-N 3.49Å; F652-R655 PolarHBondContact O-N 2.91Å; F652-G656 PolarHBondContact O-N 3.49Å; F652-G714 WeakPolarHBondContact CE2-O 3.45Å; F652-N715 PolarHBondContact N-OD1 3.26Å; F652-I718 HydrophobicContact CD2-CD1 3.69Å; F652-I718 HydrophobicContact CE2-CD1 3.61Å; F652-I718 HydrophobicContact CE2-CG1 4.18Å; F652-S744 WeakPolarHBondContact CZ-O 3.46Å; F652-I747 HydrophobicContact CE1-CB 3.85Å; F652-I747 HydrophobicContact CE1-CG2 3.55Å; F652-I747 HydrophobicContact CZ-CB 3.78Å; F652-I747 HydrophobicContact CZ-CD1 4.24Å; F652-I747 HydrophobicContact CZ-CG2 3.81Å; F652-A748 HydrophobicContact CE1-CB 4.46Å; F652-L751 HydrophobicContact CD1-CD1 3.69Å; F652-L751 HydrophobicContact CE1-CD1 3.81Å
653I97.9Very high96.8Very high5 Ų533.6 Ų33.63%0.02617%0.17CC..Hα-helixtrans-64.4-44.7-176-63.2168.3000110.9L649 G650 R655 G656 G657 A748 L751 I766 L803L649-I653 HydrophobicContact CD1-CD1 3.71Å; L649-I653 HydrophobicContact CG-CD1 4.06Å; L649-I653 WeakPolarHBondContact O-CG1 3.3Å; L649-I653 PolarHBondContact O-N 3.05Å; L649-I653 VanDerWaalsContact O-N 3.14Å; G650-I653 PolarHBondContact O-N 2.96Å; I653-R655 PolarHBondContact O-N 3.38Å; I653-G656 PolarHBondContact O-N 3.23Å; I653-G657 PolarHBondContact O-N 2.98Å; I653-A748 HydrophobicContact CB-CB 4.34Å; I653-A748 HydrophobicContact CG1-CB 3.97Å; I653-A748 HydrophobicContact CG2-CB 4.07Å; I653-L751 HydrophobicContact CD1-CD1 4.48Å; I653-L751 HydrophobicContact CG1-CD1 4.36Å; I653-I766 HydrophobicContact CD1-CD1 3.68Å; I653-I766 HydrophobicContact CD1-CG1 4.28Å; I653-I766 HydrophobicContact CG2-CG1 4.32Å; I653-I766 HydrophobicContact CG2-CG2 4.05Å; I653-L803 HydrophobicContact CB-CD1 3.86Å; I653-L803 HydrophobicContact CD1-CD1 3.94Å; I653-L803 HydrophobicContact CG2-CD1 3.69Å
654N95.8Very high96.9Very high37 Ų3734.1 Ų34.120%0.19817%0.168CC..Hα-helixtrans-60.2-44.4178-69-21.3000111.3G650 F652 M658 S801 L803G650-N654 WeakPolarHBondContact O-CB 3.31Å; G650-N654 PolarHBondContact O-N 3.11Å; G650-N654 PolarHBondContact O-ND2 3.38Å; G650-N654 VanDerWaalsContact O-ND2 3.12Å; F652-N654 PolarHBondContact O-N 3.49Å; N654-M658 WeakPolarHBondContact O-CB 3.22Å; N654-M658 PolarHBondContact O-N 3.35Å; N654-S801 PolarHBondContact OD1-O 3.32Å; N654-L803 PolarHBondContact OD1-N 2.94Å
655R96.4Very high96.8Very high38 Ų3835.7 Ų35.714%0.14319%0.19CC..Hα-helixtrans-64.4-45.7178.3-74.617477.6-179.915.4111.6N651 F652 I653 M658 F659 I718N651-R655 WeakPolarHBondContact O-CB 3.4Å; N651-R655 WeakPolarHBondContact O-CG 3.43Å; N651-R655 PolarHBondContact O-N 2.72Å; F652-R655 PolarHBondContact O-N 2.91Å; I653-R655 PolarHBondContact O-N 3.38Å; R655-M658 PolarHBondContact O-N 2.86Å; R655-F659 HydrophobicContact CB-CE2 4.04Å; R655-F659 HydrophobicContact CB-CZ 4.16Å; R655-F659 HydrophobicContact CG-CZ 4.44Å; R655-F659 WeakPolarHBondContact O-CB 3.42Å; R655-F659 VanDerWaalsContact O-CD2 3.25Å; R655-F659 WeakPolarHBondContact O-CD2 3.32Å; R655-F659 WeakPolarHBondContact O-CG 3.29Å; R655-F659 PolarHBondContact O-N 3.24Å; R655-I718 HydrophobicContact CB-CD1 4.25Å
656G94.3Very high96.7Very high0 Ų036 Ų360%019%0.194CC..Hα-helixtrans-55-54.1177.600000112.1F652 I653 F659 V660F652-G656 PolarHBondContact O-N 3.49Å; I653-G656 PolarHBondContact O-N 3.23Å; G656-F659 PolarHBondContact O-N 3.3Å; G656-V660 PolarHBondContact O-N 3.05Å
657G95.1Very high96.7Very high1 Ų135.6 Ų35.61%0.0119%0.193CC..Hα-helixtrans-66.1-39178.300000113.9I653 F659 V660 T661I653-G657 PolarHBondContact O-N 2.98Å; G657-F659 PolarHBondContact O-N 3.49Å; G657-V660 PolarHBondContact O-N 3.18Å; G657-T661 PolarHBondContact O-N 2.82Å; G657-T661 VanDerWaalsContact O-N 3.08Å; G657-T661 PolarHBondContact O-OG1 3.07Å; G657-T661 VanDerWaalsContact O-OG1 3.05Å
658M96.9Very high96.9Very high76 Ų7630.5 Ų30.537%0.37417%0.166SC..Hα-helixtrans-63.2-40.3177.5-178.7-111.6-69.600111.9N654 R655 T661 K662N654-M658 WeakPolarHBondContact O-CB 3.22Å; N654-M658 PolarHBondContact O-N 3.35Å; R655-M658 PolarHBondContact O-N 2.86Å; M658-T661 PolarHBondContact O-N 2.94Å; M658-K662 WeakPolarHBondContact O-CB 3.17Å; M658-K662 PolarHBondContact O-N 2.79Å; M658-K662 HydrophobicContact SD-CD 4.1Å
659F97.6Very high96.8Very high8 Ų830.6 Ų30.64%0.03517%0.168CC..Hα-helixtrans-65.9-40.9178.1-64.4-23.2000112.4R655 G656 G657 T661 F663 I718 P723 W724 T741R655-F659 HydrophobicContact CB-CE2 4.04Å; R655-F659 HydrophobicContact CB-CZ 4.16Å; R655-F659 HydrophobicContact CG-CZ 4.44Å; R655-F659 WeakPolarHBondContact O-CB 3.42Å; R655-F659 VanDerWaalsContact O-CD2 3.25Å; R655-F659 WeakPolarHBondContact O-CD2 3.32Å; R655-F659 WeakPolarHBondContact O-CG 3.29Å; R655-F659 PolarHBondContact O-N 3.24Å; G656-F659 PolarHBondContact O-N 3.3Å; G657-F659 PolarHBondContact O-N 3.49Å; F659-T661 PolarHBondContact O-N 3.37Å; F659-F663 HydrophobicContact CB-CD2 4.01Å; F659-F663 HydrophobicContact CB-CE2 4.36Å; F659-F663 HydrophobicContact CD1-CD2 4.05Å; F659-F663 AromaticContact CD1-CE2 3.52Å; F659-F663 HydrophobicContact CD1-CE2 3.52Å; F659-F663 HydrophobicContact CE1-CE2 4.12Å; F659-F663 HydrophobicContact CG-CD2 4.29Å; F659-F663 HydrophobicContact CG-CE2 4.14Å; F659-F663 WeakPolarHBondContact O-CB 3.26Å; F659-F663 PolarHBondContact O-N 3.32Å; F659-I718 HydrophobicContact CE2-CG2 3.77Å; F659-I718 HydrophobicContact CZ-CG2 4.45Å; F659-P723 HydrophobicContact CD2-CG 4Å; F659-P723 HydrophobicContact CE2-CG 3.77Å; F659-W724 HydrophobicContact CE1-CB 4.24Å; F659-W724 HydrophobicContact CE1-CE3 4.44Å; F659-W724 HydrophobicContact CE2-CE3 4.1Å; F659-W724 HydrophobicContact CZ-CB 4.48Å; F659-W724 HydrophobicContact CZ-CD2 4.45Å; F659-W724 AromaticContact CZ-CE3 3.6Å; F659-W724 HydrophobicContact CZ-CE3 3.6Å; F659-W724 HydrophobicContact CZ-CZ3 4.32Å; F659-T741 HydrophobicContact CB-CG2 3.74Å
660V97.8Very high96.7Very high0 Ų033.6 Ų33.60%019%0.193CC..Hα-helixtrans-58.5-49.2173.2176.50000110.7G656 G657 F664 G665 G666 T741 V745 I797G656-V660 PolarHBondContact O-N 3.05Å; G657-V660 PolarHBondContact O-N 3.18Å; V660-F664 CarbonylContact O-C 3.46Å; V660-F664 WeakPolarHBondContact O-CA 3.38Å; V660-F664 WeakPolarHBondContact O-CB 3.34Å; V660-F664 PolarHBondContact O-N 3.39Å; V660-F664 VanDerWaalsContact O-N 3.08Å; V660-G665 PolarHBondContact O-N 2.8Å; V660-G666 PolarHBondContact O-N 3.35Å; V660-G666 VanDerWaalsContact O-N 3.14Å; V660-T741 HydrophobicContact CB-CG2 4.37Å; V660-T741 HydrophobicContact CG2-CG2 3.48Å; V660-T741 VanDerWaalsContact CG2-CG2 3.48Å; V660-V745 HydrophobicContact CG2-CB 4.14Å; V660-V745 HydrophobicContact CG2-CG1 4.13Å; V660-V745 HydrophobicContact CG2-CG2 4.3Å; V660-I797 HydrophobicContact CB-CD1 3.66Å; V660-I797 HydrophobicContact CB-CG1 4.42Å; V660-I797 HydrophobicContact CG1-CD1 3.56Å; V660-I797 HydrophobicContact CG1-CG1 3.76Å; V660-I797 HydrophobicContact CG1-CG2 4.32Å; V660-I797 HydrophobicContact CG2-CD1 4.5Å
661T96.1Very high96.7Very high63 Ų6335.4 Ų35.439%0.38720%0.201SC..Hα-helixtrans-64.7-49-178.7-54.60000111.8G657 M658 F659G657-T661 PolarHBondContact O-N 2.82Å; G657-T661 VanDerWaalsContact O-N 3.08Å; G657-T661 PolarHBondContact O-OG1 3.07Å; G657-T661 VanDerWaalsContact O-OG1 3.05Å; M658-T661 PolarHBondContact O-N 2.94Å; F659-T661 PolarHBondContact O-N 3.37Å
662K96.4Very high96.6Very high144 Ų14438 Ų3863%0.62621%0.212SC*.Hα-helixtrans-74.8-37.9-171.2-174.9175.4-179.1171.60113.6M658M658-K662 WeakPolarHBondContact O-CB 3.17Å; M658-K662 PolarHBondContact O-N 2.79Å; M658-K662 HydrophobicContact SD-CD 4.1Å
663F96.8Very high96.5Very high51 Ų5140.3 Ų40.322%0.22422%0.224CC..Hα-helixtrans-108-21.9-170.5-59.5-45.8000113.8F659 W724 I727F659-F663 HydrophobicContact CB-CD2 4.01Å; F659-F663 HydrophobicContact CB-CE2 4.36Å; F659-F663 HydrophobicContact CD1-CD2 4.05Å; F659-F663 AromaticContact CD1-CE2 3.52Å; F659-F663 HydrophobicContact CD1-CE2 3.52Å; F659-F663 HydrophobicContact CE1-CE2 4.12Å; F659-F663 HydrophobicContact CG-CD2 4.29Å; F659-F663 HydrophobicContact CG-CE2 4.14Å; F659-F663 WeakPolarHBondContact O-CB 3.26Å; F659-F663 PolarHBondContact O-N 3.32Å; F663-W724 HydrophobicContact CE2-CB 4.06Å; F663-W724 HydrophobicContact CZ-CB 4.04Å; F663-I727 HydrophobicContact CB-CD1 4.35Å; F663-I727 HydrophobicContact CB-CG1 3.97Å; F663-I727 HydrophobicContact CD1-CG1 4.24Å; F663-I727 HydrophobicContact CD1-CG2 4.06Å; F663-I727 HydrophobicContact CD2-CG2 4.4Å; F663-I727 HydrophobicContact CE1-CG2 4Å; F663-I727 HydrophobicContact CE2-CG2 4.34Å; F663-I727 HydrophobicContact CG-CG1 4.04Å; F663-I727 HydrophobicContact CG-CG2 4.27Å; F663-I727 HydrophobicContact CZ-CG2 4.14Å
664F96.6Very high96.4Very high49 Ų4944.8 Ų44.822%0.21525%0.245CC..Hα-helixtrans-126.720.8-173.4-56-80.2000113V660 G666 C667 P669 I727 T741V660-F664 CarbonylContact O-C 3.46Å; V660-F664 WeakPolarHBondContact O-CA 3.38Å; V660-F664 WeakPolarHBondContact O-CB 3.34Å; V660-F664 PolarHBondContact O-N 3.39Å; V660-F664 VanDerWaalsContact O-N 3.08Å; F664-G666 PolarHBondContact O-N 2.93Å; F664-C667 VanDerWaalsContact CB-O 3.24Å; F664-C667 WeakPolarHBondContact CB-O 3.36Å; F664-C667 PolarHBondContact O-N 3.3Å; F664-P669 HydrophobicContact CD1-CB 3.76Å; F664-P669 HydrophobicContact CD1-CG 4.31Å; F664-P669 HydrophobicContact CD2-CG 4.17Å; F664-P669 HydrophobicContact CE1-CB 3.85Å; F664-P669 HydrophobicContact CE1-CG 4.33Å; F664-P669 HydrophobicContact CE2-CG 4.21Å; F664-P669 HydrophobicContact CG-CB 4.11Å; F664-P669 HydrophobicContact CG-CG 4.23Å; F664-P669 HydrophobicContact CZ-CB 4.27Å; F664-P669 HydrophobicContact CZ-CG 4.28Å; F664-I727 HydrophobicContact CE1-CD1 3.91Å; F664-I727 HydrophobicContact CE2-CD1 4.37Å; F664-I727 HydrophobicContact CZ-CD1 3.6Å; F664-T741 HydrophobicContact CD2-CG2 4.05Å; F664-T741 HydrophobicContact CE2-CG2 3.95Å
665G94.9Very high96.3Very high54 Ų5447.5 Ų47.556%0.55726%0.256SS*.THydrogen-bonded Turntrans6326.9172.700000114.3V660 C667 R796V660-G665 PolarHBondContact O-N 2.8Å; G665-C667 VanDerWaalsContact C-N 3.27Å; G665-C667 PolarHBondContact O-N 3.34Å; G665-R796 PolarHBondContact O-NH1 2.72Å
666G96.1Very high96.2Very high8 Ų849.4 Ų49.48%0.08227%0.267CS..THydrogen-bonded Turntrans78.16-177.100000114.3V660 F664 R796 I797V660-G666 PolarHBondContact O-N 3.35Å; V660-G666 VanDerWaalsContact O-N 3.14Å; F664-G666 PolarHBondContact O-N 2.93Å; G666-R796 WeakPolarHBondContact O-CA 3.39Å; G666-I797 WeakPolarHBondContact O-CG1 3.42Å; G666-I797 PolarHBondContact O-N 2.94Å
667C97.9Very high96.3Very high32 Ų3249.4 Ų49.422%0.21627%0.267CS..BIsolated β-bridgetrans-103.8134175.2-66.20000110.6F664 G665 H795 R796F664-C667 VanDerWaalsContact CB-O 3.24Å; F664-C667 WeakPolarHBondContact CB-O 3.36Å; F664-C667 PolarHBondContact O-N 3.3Å; G665-C667 VanDerWaalsContact C-N 3.27Å; G665-C667 PolarHBondContact O-N 3.34Å; C667-H795 CarbonylContact C-O 3.55Å; C667-H795 VanDerWaalsContact CA-O 3.32Å; C667-H795 WeakPolarHBondContact CA-O 3.35Å; C667-R796 VanDerWaalsContact SG-CZ 3.55Å; C667-R796 PolarHBondContact SG-NH2 3.36Å
668V98Very high96.4Very high3 Ų351.2 Ų51.22%0.01827%0.274CS..PPolyproline II helixtrans-61.8127175.2178.20000109M671 V745 L791 R792 A793 G794 H795 I797V668-M671 HydrophobicContact CG1-CE 4.38Å; V668-V745 HydrophobicContact CG1-CG1 4.2Å; V668-V745 HydrophobicContact CG2-CG1 4.03Å; V668-L791 HydrophobicContact CG2-CB 4.16Å; V668-R792 WeakPolarHBondContact CB-O 3.36Å; V668-A793 CarbonylContact O-C 3.32Å; V668-A793 WeakPolarHBondContact O-CA 3.41Å; V668-G794 PolarHBondContact O-N 3.4Å; V668-H795 HydrophobicContact CB-CB 4.32Å; V668-H795 HydrophobicContact CG2-CB 4.07Å; V668-H795 PolarHBondContact N-O 3.15Å; V668-I797 HydrophobicContact CG2-CG2 4.1Å
669P97.6Very high96.4Very high15 Ų1551 Ų5110%0.09727%0.271CS..PPolyproline II helixtrans-72.5166.6-178.429.6-36.7000112.9F664 G738 T741F664-P669 HydrophobicContact CD1-CB 3.76Å; F664-P669 HydrophobicContact CD1-CG 4.31Å; F664-P669 HydrophobicContact CD2-CG 4.17Å; F664-P669 HydrophobicContact CE1-CB 3.85Å; F664-P669 HydrophobicContact CE1-CG 4.33Å; F664-P669 HydrophobicContact CE2-CG 4.21Å; F664-P669 HydrophobicContact CG-CB 4.11Å; F664-P669 HydrophobicContact CG-CG 4.23Å; F664-P669 HydrophobicContact CZ-CB 4.27Å; F664-P669 HydrophobicContact CZ-CG 4.28Å; P669-G738 WeakPolarHBondContact CG-O 3.42Å; P669-T741 HydrophobicContact CG-CG2 4.4Å
670A96Very high96.4Very high64 Ų6451.4 Ų51.453%0.52927%0.274SS..PPolyproline II helixtrans-61.4143.1167.500000110.8A793A670-A793 HydrophobicContact CB-CB 4.39Å
671M96.9Very high96.3Very high37 Ų3751.6 Ų51.618%0.18228%0.275CS..  trans-119.9107-177.3-68.8169.4-78.600109.8W239 V668 T739 G742 V743 C789W239-M671 HydrophobicContact CZ2-SD 3.99Å; V668-M671 HydrophobicContact CG1-CE 4.38Å; M671-T739 HydrophobicContact CB-CG2 4.37Å; M671-G742 VanDerWaalsContact SD-CA 3.6Å; M671-V743 HydrophobicContact SD-CG2 4.28Å; M671-C789 WeakPolarHBondContact CE-SG 3.41Å
672E95.7Very high96.3Very high113 Ų11349 Ų4953%0.52826%0.259SS..  trans-102.7103.2170.8-73-179.2-14600109.2Q674 Q735 T739E672-Q674 PolarHBondContact O-N 2.94Å; E672-Q735 PolarHBondContact OE1-NE2 3.12Å; E672-Q735 PolarHBondContact OE2-NE2 3.38Å; E672-T739 PolarHBondContact N-OG1 3.48Å; E672-T739 VanDerWaalsContact O-CG2 3.29Å; E672-T739 WeakPolarHBondContact O-CG2 3.18Å; E672-T739 PolarHBondContact O-OG1 2.89Å; E672-T739 VanDerWaalsContact O-OG1 3.05Å
673L96.4Very high96.4Very high48 Ų4843 Ų4325%0.25124%0.235SC..  trans-73.9123-171.6-58.7178.2000111.3W239 D677 K678 L681 T739 V743W239-L673 HydrophobicContact CG-CD1 4.46Å; L673-D677 WeakPolarHBondContact CA-OD2 3.42Å; L673-D677 HydrophobicContact CB-CB 4.2Å; L673-D677 HydrophobicContact CD2-CB 3.8Å; L673-K678 HydrophobicContact CB-CG 4.39Å; L673-L681 HydrophobicContact CD1-CD1 3.74Å; L673-L681 HydrophobicContact CD2-CD1 4.24Å; L673-T739 HydrophobicContact CD2-CG2 4.25Å; L673-V743 HydrophobicContact CD2-CG2 3.8Å
674Q95.4Very high96.4Very high99 Ų9940.5 Ų40.546%0.46322%0.224SC..  trans-93.2172.5168.4-62.1-175.3-13.200110.6E672 E676 D677 K678E672-Q674 PolarHBondContact O-N 2.94Å; Q674-E676 VanDerWaalsContact C-N 3.27Å; Q674-E676 HydrophobicContact CB-CG 4.38Å; Q674-E676 PolarHBondContact O-N 2.96Å; Q674-D677 PolarHBondContact N-OD2 3.05Å; Q674-D677 WeakPolarHBondContact O-CB 3.39Å; Q674-D677 PolarHBondContact O-N 2.92Å; Q674-K678 PolarHBondContact O-N 3.08Å; Q674-K678 VanDerWaalsContact O-N 3.07Å
675Q93.7Very high96.4Very high94 Ų9439 Ų3944%0.43922%0.222SC..Hα-helixtrans-54.6-42-179.2-167.465.32.400112.5M232 D677 K678 K679M232-Q675 HydrophobicContact CE-CG 3.66Å; M232-Q675 WeakPolarHBondContact CE-O 3.48Å; Q675-D677 VanDerWaalsContact C-N 3.28Å; Q675-D677 PolarHBondContact O-N 3.4Å; Q675-K678 PolarHBondContact O-N 3.37Å; Q675-K679 PolarHBondContact O-N 3.34Å
676E94.1Very high96.4Very high79 Ų7939 Ų3937%0.36921%0.205SC..Hα-helixtrans-63.6-32176.759.5174.2-152.300113.4Q674 K679 L680 N721 R736Q674-E676 VanDerWaalsContact C-N 3.27Å; Q674-E676 HydrophobicContact CB-CG 4.38Å; Q674-E676 PolarHBondContact O-N 2.96Å; E676-K679 PolarHBondContact O-N 3.45Å; E676-L680 PolarHBondContact O-N 3.39Å; E676-L680 VanDerWaalsContact O-N 3.08Å; E676-N721 PolarHBondContact OE1-ND2 3.4Å; E676-N721 PolarHBondContact OE1-OD1 3.26Å; E676-N721 VanDerWaalsContact OE1-OD1 3.1Å; E676-R736 IonicContact OE1-CZ 3.23Å; E676-R736 VanDerWaalsContact OE1-CZ 3.23Å; E676-R736 IonicContact OE1-NE 3.23Å; E676-R736 PolarHBondContact OE1-NE 3.29Å; E676-R736 IonicContact OE1-NH2 2.65Å; E676-R736 PolarHBondContact OE1-NH2 3.03Å
677D97.1Very high96.5Very high0 Ų039 Ų390%020%0.203CC..Hα-helixtrans-70.9-47.3176.8-55-42.8000110.4L673 Q674 Q675 K679 L680 L681 Y717 R736 T739L673-D677 WeakPolarHBondContact CA-OD2 3.42Å; L673-D677 HydrophobicContact CB-CB 4.2Å; L673-D677 HydrophobicContact CD2-CB 3.8Å; Q674-D677 PolarHBondContact N-OD2 3.05Å; Q674-D677 WeakPolarHBondContact O-CB 3.39Å; Q674-D677 PolarHBondContact O-N 2.92Å; Q675-D677 VanDerWaalsContact C-N 3.28Å; Q675-D677 PolarHBondContact O-N 3.4Å; D677-K679 PolarHBondContact O-N 3.01Å; D677-L680 WeakPolarHBondContact O-CB 3.49Å; D677-L680 PolarHBondContact O-N 3.15Å; D677-L680 VanDerWaalsContact O-N 3.11Å; D677-L681 VanDerWaalsContact O-CG 3.3Å; D677-L681 WeakPolarHBondContact O-CG 3.17Å; D677-L681 PolarHBondContact O-N 3.22Å; D677-Y717 VanDerWaalsContact OD1-CE2 3.31Å; D677-Y717 WeakPolarHBondContact OD1-CE2 3.49Å; D677-Y717 VanDerWaalsContact OD1-CZ 3.28Å; D677-Y717 PolarHBondContact OD1-OH 3.27Å; D677-R736 IonicContact OD1-CZ 3.39Å; D677-R736 IonicContact OD1-NH1 3.27Å; D677-R736 PolarHBondContact OD1-NH1 2.98Å; D677-R736 IonicContact OD1-NH2 2.66Å; D677-R736 PolarHBondContact OD1-NH2 3.45Å; D677-R736 IonicContact OD2-CZ 3.53Å; D677-R736 IonicContact OD2-NH1 2.7Å; D677-R736 PolarHBondContact OD2-NH1 2.87Å; D677-R736 IonicContact OD2-NH2 3.55Å; D677-T739 WeakPolarHBondContact OD2-CG2 3.44Å
678K96.9Very high96.5Very high39 Ų3937.4 Ų37.417%0.1719%0.192CC..Hα-helixtrans-58.4-37.5176.9-60.1-172.3-175.7-171.30111.2M232 E233 A236 L673 Q674 Q675 L681 A682M232-K678 HydrophobicContact CB-CB 4.04Å; M232-K678 HydrophobicContact CE-CB 3.79Å; E233-K678 IonicContact OE1-NZ 2.65Å; E233-K678 PolarHBondContact OE1-NZ 3.38Å; E233-K678 IonicContact OE2-NZ 2.84Å; E233-K678 PolarHBondContact OE2-NZ 2.85Å; A236-K678 HydrophobicContact CB-CD 4.03Å; A236-K678 HydrophobicContact CB-CG 4.06Å; L673-K678 HydrophobicContact CB-CG 4.39Å; Q674-K678 PolarHBondContact O-N 3.08Å; Q674-K678 VanDerWaalsContact O-N 3.07Å; Q675-K678 PolarHBondContact O-N 3.37Å; K678-L681 PolarHBondContact O-N 3.12Å; K678-A682 WeakPolarHBondContact O-CB 3.48Å; K678-A682 PolarHBondContact O-N 3.03Å
679K95.9Very high96.4Very high71 Ų7141 Ų4131%0.30921%0.209SC..Hα-helixtrans-63.5-48.1175.8-176.2-179.1173.4-171.90110.2E224 V227 M232 Q675 E676 D677 L681 A682 V683E224-K679 IonicContact OE2-NZ 3.04Å; E224-K679 PolarHBondContact OE2-NZ 3.16Å; V227-K679 HydrophobicContact CB-CG 4.33Å; V227-K679 HydrophobicContact CG2-CG 4.16Å; M232-K679 HydrophobicContact CE-CB 3.82Å; M232-K679 HydrophobicContact SD-CB 4.14Å; Q675-K679 PolarHBondContact O-N 3.34Å; E676-K679 PolarHBondContact O-N 3.45Å; D677-K679 PolarHBondContact O-N 3.01Å; K679-L681 PolarHBondContact O-N 3.08Å; K679-A682 PolarHBondContact O-N 3.37Å; K679-V683 WeakPolarHBondContact O-CG2 3.47Å; K679-V683 PolarHBondContact O-N 3.36Å
680L97.2Very high96.4Very high16 Ų1642.2 Ų42.28%0.08421%0.213CC..Hα-helixtrans-60.4-45.6176.7178.965.2000112E676 D677 A682 V683 V684 H713 Y717 V743 I747E676-L680 PolarHBondContact O-N 3.39Å; E676-L680 VanDerWaalsContact O-N 3.08Å; D677-L680 WeakPolarHBondContact O-CB 3.49Å; D677-L680 PolarHBondContact O-N 3.15Å; D677-L680 VanDerWaalsContact O-N 3.11Å; L680-A682 VanDerWaalsContact C-N 3.28Å; L680-A682 PolarHBondContact O-N 2.7Å; L680-V683 PolarHBondContact O-N 3.46Å; L680-V684 HydrophobicContact CD1-CG2 4.12Å; L680-V684 HydrophobicContact CG-CG2 4.34Å; L680-V684 WeakPolarHBondContact O-CG2 3.44Å; L680-V684 PolarHBondContact O-N 3.18Å; L680-H713 HydrophobicContact CD1-CB 4.02Å; L680-Y717 HydrophobicContact CD2-CD1 3.56Å; L680-Y717 HydrophobicContact CD2-CD2 3.62Å; L680-Y717 HydrophobicContact CD2-CE1 3.92Å; L680-Y717 HydrophobicContact CD2-CE2 3.97Å; L680-Y717 HydrophobicContact CD2-CG 3.37Å; L680-V743 HydrophobicContact CD2-CG1 4.15Å; L680-I747 HydrophobicContact CD2-CD1 3.76Å; L680-I747 HydrophobicContact CG-CD1 4.21Å
681L97.6Very high96.5Very high4 Ų439.1 Ų39.12%0.02119%0.188CC..Hα-helixtrans-57.8-42.3177.6-66.5-179.4000111.5A235 W239 L673 D677 K678 K679 V684 G685 V743 F787A235-L681 HydrophobicContact CB-CB 4.21Å; W239-L681 HydrophobicContact CB-CD1 3.94Å; W239-L681 HydrophobicContact CD2-CD1 3.83Å; W239-L681 HydrophobicContact CD2-CD2 3.87Å; W239-L681 HydrophobicContact CE3-CD1 4.25Å; W239-L681 HydrophobicContact CE3-CD2 3.52Å; W239-L681 HydrophobicContact CE3-CG 4.49Å; W239-L681 HydrophobicContact CG-CD1 3.73Å; W239-L681 HydrophobicContact CH2-CD2 3.82Å; W239-L681 HydrophobicContact CZ2-CD2 4.24Å; W239-L681 HydrophobicContact CZ3-CD2 3.54Å; L673-L681 HydrophobicContact CD1-CD1 3.74Å; L673-L681 HydrophobicContact CD2-CD1 4.24Å; D677-L681 VanDerWaalsContact O-CG 3.3Å; D677-L681 WeakPolarHBondContact O-CG 3.17Å; D677-L681 PolarHBondContact O-N 3.22Å; K678-L681 PolarHBondContact O-N 3.12Å; K679-L681 PolarHBondContact O-N 3.08Å; L681-V684 PolarHBondContact O-N 2.85Å; L681-G685 PolarHBondContact O-N 3.36Å; L681-V743 HydrophobicContact CD2-CG1 4.21Å; L681-F787 HydrophobicContact CD2-CD1 3.98Å; L681-F787 HydrophobicContact CD2-CE1 3.49Å; L681-F787 VanDerWaalsContact CD2-CE1 3.49Å; L681-F787 HydrophobicContact CD2-CZ 4.42Å
682A96.1Very high96.5Very high8 Ų837.7 Ų37.77%0.06618%0.181CC..Hα-helixtrans-66.6-39.3176.500000112.9V227 M232 A235 K678 K679 L680 G685 W686V227-A682 HydrophobicContact CG1-CB 3.6Å; M232-A682 HydrophobicContact CG-CB 4.48Å; A235-A682 HydrophobicContact CB-CB 3.75Å; K678-A682 WeakPolarHBondContact O-CB 3.48Å; K678-A682 PolarHBondContact O-N 3.03Å; K679-A682 PolarHBondContact O-N 3.37Å; L680-A682 VanDerWaalsContact C-N 3.28Å; L680-A682 PolarHBondContact O-N 2.7Å; A682-G685 PolarHBondContact O-N 3.34Å; A682-W686 WeakPolarHBondContact O-CB 3.33Å; A682-W686 PolarHBondContact O-N 3.16Å
683V97.2Very high96.5Very high18 Ų1837.2 Ų37.211%0.10918%0.179CC..Hα-helixtrans-63.8-47.5174.1172.60000110.9V227 K679 L680 G685 W686 E687V227-V683 HydrophobicContact CG2-CG2 3.75Å; K679-V683 WeakPolarHBondContact O-CG2 3.47Å; K679-V683 PolarHBondContact O-N 3.36Å; L680-V683 PolarHBondContact O-N 3.46Å; V683-G685 VanDerWaalsContact C-N 3.34Å; V683-G685 PolarHBondContact O-N 2.64Å; V683-W686 PolarHBondContact O-N 2.77Å; V683-E687 HydrophobicContact CG1-CG 4.41Å; V683-E687 WeakPolarHBondContact O-CG 3.38Å; V683-E687 PolarHBondContact O-N 3.43Å
684V97.7Very high96.5Very high0 Ų036.8 Ų36.80%018%0.176CC..Hα-helixtrans-62.7-41.6178.2174.10000111.2L680 L681 W686 E687 L688 I710 I747 L750 F787L680-V684 HydrophobicContact CD1-CG2 4.12Å; L680-V684 HydrophobicContact CG-CG2 4.34Å; L680-V684 WeakPolarHBondContact O-CG2 3.44Å; L680-V684 PolarHBondContact O-N 3.18Å; L681-V684 PolarHBondContact O-N 2.85Å; V684-W686 VanDerWaalsContact C-N 3.32Å; V684-W686 PolarHBondContact O-N 3.4Å; V684-E687 PolarHBondContact O-N 3.34Å; V684-L688 WeakPolarHBondContact O-CB 3.35Å; V684-L688 PolarHBondContact O-N 2.66Å; V684-I710 HydrophobicContact CG1-CD1 4.45Å; V684-I710 HydrophobicContact CG1-CG1 4.46Å; V684-I710 HydrophobicContact CG1-CG2 4.14Å; V684-I710 HydrophobicContact CG2-CG2 4.31Å; V684-I747 HydrophobicContact CG2-CD1 4.21Å; V684-I747 HydrophobicContact CG2-CG1 4.41Å; V684-L750 HydrophobicContact CG1-CD2 3.53Å; V684-F787 HydrophobicContact CB-CD1 3.92Å; V684-F787 HydrophobicContact CB-CE1 3.94Å; V684-F787 HydrophobicContact CG1-CD1 3.54Å; V684-F787 HydrophobicContact CG1-CD2 4.48Å; V684-F787 HydrophobicContact CG1-CE1 3.56Å; V684-F787 HydrophobicContact CG1-CG 4.01Å; V684-F787 HydrophobicContact CG1-CZ 4.06Å; V684-F787 HydrophobicContact CG2-CE1 4.49Å
685G96Very high96.6Very high16 Ų1632 Ų3217%0.16515%0.154CC..Hα-helixtrans-60.7-39.7174.400000112.8L681 A682 V683 Q689L681-G685 PolarHBondContact O-N 3.36Å; A682-G685 PolarHBondContact O-N 3.34Å; V683-G685 VanDerWaalsContact C-N 3.34Å; V683-G685 PolarHBondContact O-N 2.64Å; G685-Q689 WeakPolarHBondContact O-CG 3.44Å; G685-Q689 PolarHBondContact O-N 3.09Å; G685-Q689 VanDerWaalsContact O-N 3.11Å
686W95.8Very high96.7Very high55 Ų5529.7 Ų29.721%0.20815%0.145CC..Hα-helixtrans-68.1-46.3175.3176.383.9000112.5R225 A682 V683 V684 L688 Q689 Q690R225-W686 VanDerWaalsContact NH1-CB 3.27Å; A682-W686 WeakPolarHBondContact O-CB 3.33Å; A682-W686 PolarHBondContact O-N 3.16Å; V683-W686 PolarHBondContact O-N 2.77Å; V684-W686 VanDerWaalsContact C-N 3.32Å; V684-W686 PolarHBondContact O-N 3.4Å; W686-L688 VanDerWaalsContact C-N 3.27Å; W686-L688 PolarHBondContact O-N 2.71Å; W686-Q689 WeakPolarHBondContact O-CB 3.4Å; W686-Q689 PolarHBondContact O-N 3.07Å; W686-Q690 HydrophobicContact CD2-CG 3.91Å; W686-Q690 HydrophobicContact CE3-CG 4.19Å; W686-Q690 HydrophobicContact CH2-CG 3.88Å; W686-Q690 HydrophobicContact CZ2-CG 3.57Å; W686-Q690 HydrophobicContact CZ3-CG 4.17Å; W686-Q690 WeakPolarHBondContact O-CG 3.3Å; W686-Q690 PolarHBondContact O-N 3.44Å
687E97.6Very high96.8Very high7 Ų731.9 Ų31.93%0.03315%0.153CC..Hα-helixtrans-57.2-40.9175.7-73.8-73.9164.800111.6V683 V684 Q690 Y691 H706 N709 I710 H713V683-E687 HydrophobicContact CG1-CG 4.41Å; V683-E687 WeakPolarHBondContact O-CG 3.38Å; V683-E687 PolarHBondContact O-N 3.43Å; V684-E687 PolarHBondContact O-N 3.34Å; E687-Q690 PolarHBondContact O-N 3.23Å; E687-Y691 WeakPolarHBondContact O-CB 3.36Å; E687-Y691 PolarHBondContact O-N 2.81Å; E687-H706 WeakPolarHBondContact OE2-CA 3.37Å; E687-H706 WeakPolarHBondContact OE2-CB 3.12Å; E687-H706 IonicContact OE2-CE1 2.67Å; E687-H706 IonicContact OE2-CG 3.58Å; E687-H706 IonicContact OE2-ND1 2.74Å; E687-H706 PolarHBondContact OE2-ND1 2.98Å; E687-N709 PolarHBondContact OE1-ND2 3.35Å; E687-I710 HydrophobicContact CB-CD1 3.71Å; E687-I710 HydrophobicContact CB-CG1 3.45Å; E687-I710 VanDerWaalsContact CB-CG1 3.45Å; E687-I710 HydrophobicContact CG-CG1 3.97Å; E687-H713 IonicContact OE1-NE2 3.85Å
688L97.3Very high96.8Very high0 Ų032.1 Ų32.10%015%0.154CC..Hα-helixtrans-60.5-44.2173.2175.161.1000112V684 W686 Y691 I692 L750 M754 L781 F787V684-L688 WeakPolarHBondContact O-CB 3.35Å; V684-L688 PolarHBondContact O-N 2.66Å; W686-L688 VanDerWaalsContact C-N 3.27Å; W686-L688 PolarHBondContact O-N 2.71Å; L688-Y691 WeakPolarHBondContact O-CB 3.05Å; L688-Y691 PolarHBondContact O-N 2.91Å; L688-I692 HydrophobicContact CD1-CD1 4.31Å; L688-I692 HydrophobicContact CG-CD1 4.35Å; L688-I692 WeakPolarHBondContact O-CG1 3.47Å; L688-I692 PolarHBondContact O-N 3.25Å; L688-L750 HydrophobicContact CD1-CD1 4.11Å; L688-L750 HydrophobicContact CD2-CD1 4.01Å; L688-L750 HydrophobicContact CD2-CD2 4.36Å; L688-M754 HydrophobicContact CD1-CE 3.92Å; L688-M754 HydrophobicContact CD1-CG 4.01Å; L688-M754 HydrophobicContact CD1-SD 3.82Å; L688-L781 HydrophobicContact CD1-CD2 3.67Å; L688-F787 HydrophobicContact CD2-CB 4.44Å
689Q95.9Very high96.8Very high77 Ų7734.5 Ų34.536%0.3617%0.165SC..Hα-helixtrans-64.7-40176.8-72.1171.72.200111.8G685 W686 I692 Q693G685-Q689 WeakPolarHBondContact O-CG 3.44Å; G685-Q689 PolarHBondContact O-N 3.09Å; G685-Q689 VanDerWaalsContact O-N 3.11Å; W686-Q689 WeakPolarHBondContact O-CB 3.4Å; W686-Q689 PolarHBondContact O-N 3.07Å; Q689-I692 PolarHBondContact O-N 2.9Å; Q689-Q693 WeakPolarHBondContact O-CB 3.3Å; Q689-Q693 VanDerWaalsContact O-CG 3.27Å; Q689-Q693 WeakPolarHBondContact O-CG 3.46Å; Q689-Q693 PolarHBondContact O-N 3.19Å
690Q96.9Very high96.9Very high41 Ų4131.1 Ų31.119%0.19215%0.15CC..Hα-helixtrans-64.1-42.8175.7-64.1-49-54.900111.8W686 E687 I692 Q693 L694 H706W686-Q690 HydrophobicContact CD2-CG 3.91Å; W686-Q690 HydrophobicContact CE3-CG 4.19Å; W686-Q690 HydrophobicContact CH2-CG 3.88Å; W686-Q690 HydrophobicContact CZ2-CG 3.57Å; W686-Q690 HydrophobicContact CZ3-CG 4.17Å; W686-Q690 WeakPolarHBondContact O-CG 3.3Å; W686-Q690 PolarHBondContact O-N 3.44Å; E687-Q690 PolarHBondContact O-N 3.23Å; Q690-I692 VanDerWaalsContact C-N 3.33Å; Q690-I692 PolarHBondContact O-N 3.23Å; Q690-Q693 PolarHBondContact O-N 3.2Å; Q690-L694 WeakPolarHBondContact O-CB 3.33Å; Q690-L694 WeakPolarHBondContact O-CG 3.25Å; Q690-L694 PolarHBondContact O-N 3.35Å; Q690-H706 WeakPolarHBondContact CB-CE1 3.43Å
691Y98.4Very high96.9Very high0 Ų033.8 Ų33.80%016%0.159CC..Hα-helixtrans-53.5-50.1172.4169.5-91.4000111.6Y296 E687 L688 L694 M695 A703 I707 M754 Y758 L781Y296-Y691 HydrophobicContact CD2-CE1 4.14Å; Y296-Y691 HydrophobicContact CE2-CE1 4.02Å; E687-Y691 WeakPolarHBondContact O-CB 3.36Å; E687-Y691 PolarHBondContact O-N 2.81Å; L688-Y691 WeakPolarHBondContact O-CB 3.05Å; L688-Y691 PolarHBondContact O-N 2.91Å; Y691-L694 PolarHBondContact O-N 2.98Å; Y691-M695 HydrophobicContact CD1-CG 4.38Å; Y691-M695 HydrophobicContact CD2-CG 4.28Å; Y691-M695 HydrophobicContact CE1-CG 3.99Å; Y691-M695 HydrophobicContact CE2-CG 3.9Å; Y691-M695 WeakPolarHBondContact O-CB 3.45Å; Y691-M695 WeakPolarHBondContact O-CG 3.38Å; Y691-M695 PolarHBondContact O-N 2.91Å; Y691-A703 HydrophobicContact CD2-CB 3.82Å; Y691-A703 WeakPolarHBondContact CD2-O 3.39Å; Y691-A703 HydrophobicContact CE2-CB 4.07Å; Y691-I707 HydrophobicContact CD2-CD1 4.28Å; Y691-I707 HydrophobicContact CD2-CG1 4Å; Y691-I707 HydrophobicContact CE2-CD1 3.75Å; Y691-I707 HydrophobicContact CE2-CG1 3.99Å; Y691-M754 VanDerWaalsContact CB-CE 3.5Å; Y691-M754 HydrophobicContact CD1-CE 3.84Å; Y691-M754 HydrophobicContact CD2-CE 3.83Å; Y691-M754 HydrophobicContact CG-CE 3.43Å; Y691-M754 VanDerWaalsContact CG-CE 3.43Å; Y691-M754 PolarHBondContact OH-O 3.16Å; Y691-M754 VanDerWaalsContact OH-O 3.13Å; Y691-Y758 AromaticContact CE2-CE2 3.76Å; Y691-Y758 HydrophobicContact CE2-CE2 3.76Å; Y691-L781 HydrophobicContact CD1-CD2 4.18Å; Y691-L781 HydrophobicContact CE1-CD2 3.99Å
692I97.3Very high96.9Very high6 Ų635.8 Ų35.83%0.03117%0.17CC..Hα-helixtrans-62.2-46.5179.1-70171.7000110.9Y296 L688 Q689 Q690 L694 M695 D696 L781Y296-I692 WeakPolarHBondContact OH-CG2 3.47Å; Y296-I692 PolarHBondContact OH-O 3.29Å; L688-I692 HydrophobicContact CD1-CD1 4.31Å; L688-I692 HydrophobicContact CG-CD1 4.35Å; L688-I692 WeakPolarHBondContact O-CG1 3.47Å; L688-I692 PolarHBondContact O-N 3.25Å; Q689-I692 PolarHBondContact O-N 2.9Å; Q690-I692 VanDerWaalsContact C-N 3.33Å; Q690-I692 PolarHBondContact O-N 3.23Å; I692-L694 VanDerWaalsContact C-N 3.27Å; I692-L694 PolarHBondContact O-N 3.4Å; I692-M695 PolarHBondContact O-N 3.46Å; I692-D696 WeakPolarHBondContact O-CB 3.17Å; I692-D696 VanDerWaalsContact O-CG 3.29Å; I692-D696 PolarHBondContact O-N 3.5Å; I692-L781 HydrophobicContact CD1-CD2 4Å; I692-L781 HydrophobicContact CG1-CD2 3.94Å
693Q95.9Very high97Very high104 Ų10435.4 Ų35.449%0.48617%0.166SC..Hα-helixtrans-59.7-37.8179.4-74.4176.710.500112.8Q689 Q690Q689-Q693 WeakPolarHBondContact O-CB 3.3Å; Q689-Q693 VanDerWaalsContact O-CG 3.27Å; Q689-Q693 WeakPolarHBondContact O-CG 3.46Å; Q689-Q693 PolarHBondContact O-N 3.19Å; Q690-Q693 PolarHBondContact O-N 3.2Å
694L97.3Very high97.1Very high38 Ų3834.6 Ų34.620%0.19916%0.162CC..Hα-helixtrans-73.6-45.1177.1-74.2170.3000111.5Q690 Y691 I692 D696 K697 V698 K699 D702 A703 H706Q690-L694 WeakPolarHBondContact O-CB 3.33Å; Q690-L694 WeakPolarHBondContact O-CG 3.25Å; Q690-L694 PolarHBondContact O-N 3.35Å; Y691-L694 PolarHBondContact O-N 2.98Å; I692-L694 VanDerWaalsContact C-N 3.27Å; I692-L694 PolarHBondContact O-N 3.4Å; L694-D696 VanDerWaalsContact C-N 3.33Å; L694-D696 PolarHBondContact O-N 2.93Å; L694-K697 CarbonylContact O-C 3.49Å; L694-K697 PolarHBondContact O-N 3.47Å; L694-K697 VanDerWaalsContact O-N 3.1Å; L694-V698 PolarHBondContact O-N 3.26Å; L694-K699 HydrophobicContact CB-CB 3.95Å; L694-K699 HydrophobicContact CD2-CB 3.75Å; L694-K699 HydrophobicContact CD2-CG 4.03Å; L694-K699 HydrophobicContact CG-CB 4.44Å; L694-K699 WeakPolarHBondContact O-CB 3.45Å; L694-K699 PolarHBondContact O-N 3.39Å; L694-D702 HydrophobicContact CD1-CB 4.08Å; L694-D702 HydrophobicContact CD2-CB 4.41Å; L694-A703 HydrophobicContact CB-CB 3.94Å; L694-H706 WeakPolarHBondContact CD1-CD2 3.35Å; L694-H706 VanDerWaalsContact CD1-NE2 3.29Å; L694-H706 WeakPolarHBondContact CD1-NE2 3.41Å
695M97.6Very high97Very high0 Ų038.8 Ų38.80%018%0.18CC..Hα-helixtrans-64.6-35.6178.5-75.2-59-70.100112.6V292 F293 Y296 Y691 I692 K697 V698 I700 A703 Y758V292-M695 HydrophobicContact CG1-CE 3.82Å; F293-M695 WeakPolarHBondContact CE2-O 3.13Å; Y296-M695 HydrophobicContact CD1-CB 3.9Å; Y296-M695 HydrophobicContact CD1-CE 4.11Å; Y296-M695 HydrophobicContact CD2-CB 3.82Å; Y296-M695 HydrophobicContact CD2-CE 4.05Å; Y296-M695 HydrophobicContact CD2-CG 4.1Å; Y296-M695 HydrophobicContact CE1-CB 3.56Å; Y296-M695 HydrophobicContact CE2-CB 3.49Å; Y296-M695 VanDerWaalsContact CE2-CB 3.49Å; Y296-M695 HydrophobicContact CE2-CG 4.08Å; Y296-M695 HydrophobicContact CG-CB 4.01Å; Y296-M695 HydrophobicContact CG-CE 3.63Å; Y296-M695 HydrophobicContact CG-CG 4.44Å; Y691-M695 HydrophobicContact CD1-CG 4.38Å; Y691-M695 HydrophobicContact CD2-CG 4.28Å; Y691-M695 HydrophobicContact CE1-CG 3.99Å; Y691-M695 HydrophobicContact CE2-CG 3.9Å; Y691-M695 WeakPolarHBondContact O-CB 3.45Å; Y691-M695 WeakPolarHBondContact O-CG 3.38Å; Y691-M695 PolarHBondContact O-N 2.91Å; I692-M695 PolarHBondContact O-N 3.46Å; M695-K697 PolarHBondContact O-N 2.85Å; M695-V698 PolarHBondContact O-N 3.47Å; M695-I700 HydrophobicContact SD-CG1 4.33Å; M695-A703 HydrophobicContact CG-CB 3.62Å; M695-A703 HydrophobicContact SD-CB 3.64Å; M695-Y758 PolarHBondContact SD-OH 2.95Å
696D95.3Very high97.1Very high45 Ų4539.3 Ų39.324%0.24118%0.178CC..Hα-helixtrans-59.8-26173.6-78.1-8.3000112.9Y296 R300 I692 L694Y296-D696 VanDerWaalsContact CE1-OD1 3.28Å; Y296-D696 WeakPolarHBondContact CE1-OD1 3.36Å; Y296-D696 PolarHBondContact OH-OD1 3.21Å; R300-D696 IonicContact CZ-OD1 2.82Å; R300-D696 IonicContact CZ-OD2 2.65Å; R300-D696 IonicContact NH1-OD1 3.91Å; R300-D696 PolarHBondContact NH1-OD1 2.94Å; R300-D696 IonicContact NH1-OD2 3.9Å; R300-D696 PolarHBondContact NH1-OD2 3.04Å; R300-D696 IonicContact NH2-OD2 3.93Å; I692-D696 WeakPolarHBondContact O-CB 3.17Å; I692-D696 VanDerWaalsContact O-CG 3.29Å; I692-D696 PolarHBondContact O-N 3.5Å; L694-D696 VanDerWaalsContact C-N 3.33Å; L694-D696 PolarHBondContact O-N 2.93Å
697K95Very high97.3Very high124 Ų12436.7 Ų36.754%0.53917%0.168SC..THydrogen-bonded Turntrans-104.715.7175.3-61.5-177.7-179.41730113.2L694 M695 K699L694-K697 CarbonylContact O-C 3.49Å; L694-K697 PolarHBondContact O-N 3.47Å; L694-K697 VanDerWaalsContact O-N 3.1Å; M695-K697 PolarHBondContact O-N 2.85Å; K697-K699 HydrophobicContact CB-CG 4.28Å; K697-K699 PolarHBondContact O-N 3.13Å
698V97.1Very high97.3Very high5 Ų536.4 Ų36.43%0.0317%0.167CC..THydrogen-bonded Turntrans57.232.2178.1-154.70000113.2F293 Y548 F550 I581 L694 M695 I700F293-V698 HydrophobicContact CD2-CG1 4.26Å; F293-V698 HydrophobicContact CD2-CG2 4.07Å; F293-V698 HydrophobicContact CE2-CG2 3.82Å; F293-V698 HydrophobicContact CG-CG1 4.47Å; F293-V698 HydrophobicContact CZ-CG2 4.14Å; Y548-V698 HydrophobicContact CD1-CG2 4.28Å; Y548-V698 HydrophobicContact CE1-CG2 3.92Å; F550-V698 HydrophobicContact CE1-CG1 3.58Å; F550-V698 HydrophobicContact CZ-CG1 3.66Å; I581-V698 HydrophobicContact CD1-CB 4.09Å; I581-V698 HydrophobicContact CD1-CG1 4.36Å; I581-V698 HydrophobicContact CD1-CG2 3.89Å; I581-V698 HydrophobicContact CG1-CG1 4.24Å; I581-V698 HydrophobicContact CG1-CG2 4.32Å; I581-V698 HydrophobicContact CG2-CG1 4.04Å; L694-V698 PolarHBondContact O-N 3.26Å; M695-V698 PolarHBondContact O-N 3.47Å; V698-I700 HydrophobicContact CG1-CD1 3.94Å; V698-I700 HydrophobicContact CG1-CG1 4.15Å; V698-I700 PolarHBondContact O-N 2.96Å; V698-I700 VanDerWaalsContact O-N 3.08Å
699K97.4Very high97.3Very high90 Ų9038.3 Ų38.339%0.39118%0.177SC..  trans-84.862.1173.5-60.3-59.8-176.4-177.60110.9L694 K697 R701 D702 A703L694-K699 HydrophobicContact CB-CB 3.95Å; L694-K699 HydrophobicContact CD2-CB 3.75Å; L694-K699 HydrophobicContact CD2-CG 4.03Å; L694-K699 HydrophobicContact CG-CB 4.44Å; L694-K699 WeakPolarHBondContact O-CB 3.45Å; L694-K699 PolarHBondContact O-N 3.39Å; K697-K699 HydrophobicContact CB-CG 4.28Å; K697-K699 PolarHBondContact O-N 3.13Å; K699-R701 VanDerWaalsContact C-N 3.33Å; K699-R701 PolarHBondContact O-N 3.5Å; K699-D702 PolarHBondContact O-N 3.1Å; K699-A703 WeakPolarHBondContact O-CB 3.41Å; K699-A703 PolarHBondContact O-N 3.29Å
700I98.5Very high97.5Very high0 Ų034.7 Ų34.70%016%0.16CC..Hα-helixtrans-58.5-42.9-170-65.7170000112S289 V292 F550 L621 E626 M695 V698 L704 Y758S289-I700 WeakPolarHBondContact O-CD1 3.35Å; V292-I700 HydrophobicContact CB-CD1 4.4Å; V292-I700 HydrophobicContact CB-CG2 4.47Å; V292-I700 HydrophobicContact CG1-CG1 4.43Å; V292-I700 HydrophobicContact CG1-CG2 3.96Å; F550-I700 HydrophobicContact CE1-CD1 4.36Å; L621-I700 HydrophobicContact CD2-CG2 3.76Å; E626-I700 PolarHBondContact OE1-N 3.22Å; M695-I700 HydrophobicContact SD-CG1 4.33Å; V698-I700 HydrophobicContact CG1-CD1 3.94Å; V698-I700 HydrophobicContact CG1-CG1 4.15Å; V698-I700 PolarHBondContact O-N 2.96Å; V698-I700 VanDerWaalsContact O-N 3.08Å; I700-L704 PolarHBondContact O-N 2.59Å; I700-Y758 HydrophobicContact CG2-CE1 3.81Å; I700-Y758 PolarHBondContact O-OH 3.42Å
701R98Very high97.5Very high72 Ų7232.7 Ų32.727%0.27215%0.151SC..Hα-helixtrans-65.5-45.1-178.6-172.2-178.165.7172.50.4112.4Y622 R624 E626 K699Y622-R701 WeakPolarHBondContact O-CD 3.35Å; Y622-R701 WeakPolarHBondContact O-CG 3.21Å; R624-R701 HydrophobicContact CB-CB 4.31Å; E626-R701 HydrophobicContact CG-CB 4.26Å; E626-R701 WeakPolarHBondContact OE1-CB 3.47Å; E626-R701 PolarHBondContact OE1-N 3.17Å; K699-R701 VanDerWaalsContact C-N 3.33Å; K699-R701 PolarHBondContact O-N 3.5Å
702D96.2Very high97.5Very high45 Ų4536 Ų3624%0.24116%0.163CC..Hα-helixtrans-76.1-34.8-176.3-68.5-34.1000111.5L694 K699 L704 K705L694-D702 HydrophobicContact CD1-CB 4.08Å; L694-D702 HydrophobicContact CD2-CB 4.41Å; K699-D702 PolarHBondContact O-N 3.1Å; D702-L704 VanDerWaalsContact C-N 3.28Å; D702-L704 PolarHBondContact O-N 2.93Å; D702-K705 VanDerWaalsContact O-CB 3.31Å; D702-K705 WeakPolarHBondContact O-CB 3.42Å; D702-K705 PolarHBondContact O-N 3.48Å; D702-K705 IonicContact OD1-NZ 2.67Å; D702-K705 PolarHBondContact OD1-NZ 3.4Å
703A98.4Very high97.5Very high0 Ų037.6 Ų37.60%017%0.17CC..Hα-helixtrans-58.1-37.9173.300000112.6Y691 L694 M695 K699 K705 H706 Y758Y691-A703 HydrophobicContact CD2-CB 3.82Å; Y691-A703 WeakPolarHBondContact CD2-O 3.39Å; Y691-A703 HydrophobicContact CE2-CB 4.07Å; L694-A703 HydrophobicContact CB-CB 3.94Å; M695-A703 HydrophobicContact CG-CB 3.62Å; M695-A703 HydrophobicContact SD-CB 3.64Å; K699-A703 WeakPolarHBondContact O-CB 3.41Å; K699-A703 PolarHBondContact O-N 3.29Å; A703-K705 PolarHBondContact O-N 2.84Å; A703-H706 PolarHBondContact O-N 2.84Å; A703-H706 VanDerWaalsContact O-N 3.12Å; A703-Y758 WeakPolarHBondContact CB-OH 3.44Å
704L98.6Very high97.6Very high1 Ų132.6 Ų32.61%0.00515%0.147CC..Hα-helixtrans-58.5-31.4176-178.356.7000112.7F618 L621 Y622 I700 D702 H706 I707 L708 Y758F618-L704 HydrophobicContact CD2-CD1 4.4Å; F618-L704 HydrophobicContact CD2-CD2 4.03Å; F618-L704 HydrophobicContact CE2-CD1 4.43Å; F618-L704 HydrophobicContact CE2-CD2 4Å; F618-L704 HydrophobicContact CE2-CG 4.47Å; L621-L704 HydrophobicContact CB-CD2 4.48Å; Y622-L704 HydrophobicContact CD2-CD2 4.22Å; I700-L704 PolarHBondContact O-N 2.59Å; D702-L704 VanDerWaalsContact C-N 3.28Å; D702-L704 PolarHBondContact O-N 2.93Å; L704-H706 VanDerWaalsContact C-N 3.31Å; L704-H706 PolarHBondContact O-N 2.78Å; L704-I707 HydrophobicContact CD1-CD1 4.17Å; L704-I707 WeakPolarHBondContact O-CB 3.22Å; L704-I707 PolarHBondContact O-N 2.99Å; L704-L708 PolarHBondContact O-N 3.18Å; L704-Y758 HydrophobicContact CB-CD1 4.24Å; L704-Y758 HydrophobicContact CB-CE1 3.69Å; L704-Y758 HydrophobicContact CD1-CD1 3.8Å; L704-Y758 HydrophobicContact CD1-CE1 4.1Å; L704-Y758 HydrophobicContact CD1-CG 4.09Å; L704-Y758 HydrophobicContact CD2-CD1 4.21Å; L704-Y758 HydrophobicContact CD2-CE1 4.35Å; L704-Y758 HydrophobicContact CG-CD1 4.3Å; L704-Y758 HydrophobicContact CG-CE1 4.25Å; L704-Y758 PolarHBondContact N-OH 2.91Å
705K96.7Very high97.6Very high89 Ų8931.9 Ų31.939%0.38714%0.143SC..Hα-helixtrans-65.1-36179-61.6172.3-179.4162.60111.9D702 A703 I707 L708 N709D702-K705 VanDerWaalsContact O-CB 3.31Å; D702-K705 WeakPolarHBondContact O-CB 3.42Å; D702-K705 PolarHBondContact O-N 3.48Å; D702-K705 IonicContact OD1-NZ 2.67Å; D702-K705 PolarHBondContact OD1-NZ 3.4Å; A703-K705 PolarHBondContact O-N 2.84Å; K705-I707 VanDerWaalsContact C-N 3.32Å; K705-I707 PolarHBondContact O-N 3.29Å; K705-L708 CarbonylContact O-C 3.55Å; K705-L708 PolarHBondContact O-N 2.99Å; K705-L708 VanDerWaalsContact O-N 3.14Å; K705-N709 VanDerWaalsContact O-CG 3.28Å; K705-N709 PolarHBondContact O-N 3.34Å; K705-N709 PolarHBondContact O-OD1 3Å
706H98.4Very high97.5Very high27 Ų2735.6 Ų35.613%0.12516%0.161CC..Hα-helixtrans-65.5-34.8177.3-69.4-75.5000112E687 Q690 L694 A703 L704 N709 I710E687-H706 WeakPolarHBondContact OE2-CA 3.37Å; E687-H706 WeakPolarHBondContact OE2-CB 3.12Å; E687-H706 IonicContact OE2-CE1 2.67Å; E687-H706 IonicContact OE2-CG 3.58Å; E687-H706 IonicContact OE2-ND1 2.74Å; E687-H706 PolarHBondContact OE2-ND1 2.98Å; Q690-H706 WeakPolarHBondContact CB-CE1 3.43Å; L694-H706 WeakPolarHBondContact CD1-CD2 3.35Å; L694-H706 VanDerWaalsContact CD1-NE2 3.29Å; L694-H706 WeakPolarHBondContact CD1-NE2 3.41Å; A703-H706 PolarHBondContact O-N 2.84Å; A703-H706 VanDerWaalsContact O-N 3.12Å; L704-H706 VanDerWaalsContact C-N 3.31Å; L704-H706 PolarHBondContact O-N 2.78Å; H706-N709 PolarHBondContact O-N 3.45Å; H706-I710 VanDerWaalsContact O-CG1 3.31Å; H706-I710 WeakPolarHBondContact O-CG1 3.18Å; H706-I710 PolarHBondContact O-N 3.41Å
707I98.7Very high97.7Very high0 Ų034.4 Ų34.40%015%0.153CC..Hα-helixtrans-60.7-47.7170.8-58.4176.7000110.2Y691 L704 K705 N709 I710 S711 L751 M754 L755 Y758Y691-I707 HydrophobicContact CD2-CD1 4.28Å; Y691-I707 HydrophobicContact CD2-CG1 4Å; Y691-I707 HydrophobicContact CE2-CD1 3.75Å; Y691-I707 HydrophobicContact CE2-CG1 3.99Å; L704-I707 HydrophobicContact CD1-CD1 4.17Å; L704-I707 WeakPolarHBondContact O-CB 3.22Å; L704-I707 PolarHBondContact O-N 2.99Å; K705-I707 VanDerWaalsContact C-N 3.32Å; K705-I707 PolarHBondContact O-N 3.29Å; I707-N709 PolarHBondContact O-N 3.29Å; I707-I710 PolarHBondContact O-N 3.39Å; I707-S711 PolarHBondContact O-N 2.9Å; I707-L751 HydrophobicContact CG2-CD2 3.74Å; I707-L751 WeakPolarHBondContact O-CD2 3.31Å; I707-M754 HydrophobicContact CD1-CB 4.09Å; I707-M754 VanDerWaalsContact CD1-O 3.29Å; I707-M754 WeakPolarHBondContact CD1-O 3.33Å; I707-M754 HydrophobicContact CG1-CB 3.99Å; I707-M754 HydrophobicContact CG1-CE 4.07Å; I707-L755 HydrophobicContact CG2-CD1 4.24Å; I707-Y758 HydrophobicContact CD1-CD2 3.82Å; I707-Y758 HydrophobicContact CD1-CE2 3.9Å
708L98.3Very high97.8Very high1 Ų128.5 Ų28.51%0.00513%0.127CC..Hα-helixtrans-68.2-32.4179.9-60.8175.1000112.6F618 Y622 E644 N648 L704 K705 S711 R712F618-L708 HydrophobicContact CE2-CD1 4.32Å; F618-L708 HydrophobicContact CE2-CD2 4.32Å; Y622-L708 HydrophobicContact CD2-CD1 4.26Å; Y622-L708 HydrophobicContact CE2-CD1 3.97Å; E644-L708 HydrophobicContact CB-CD1 4.24Å; E644-L708 HydrophobicContact CB-CD2 4.18Å; E644-L708 HydrophobicContact CG-CD1 4.19Å; N648-L708 PolarHBondContact ND2-O 3.11Å; N648-L708 VanDerWaalsContact ND2-O 3.12Å; L704-L708 PolarHBondContact O-N 3.18Å; K705-L708 CarbonylContact O-C 3.55Å; K705-L708 PolarHBondContact O-N 2.99Å; K705-L708 VanDerWaalsContact O-N 3.14Å; L708-S711 PolarHBondContact O-N 3.38Å; L708-S711 PolarHBondContact O-OG 3.34Å; L708-R712 WeakPolarHBondContact O-CG 3.2Å; L708-R712 PolarHBondContact O-N 2.79Å
709N98.2Very high97.8Very high40 Ų4032.6 Ų32.621%0.21415%0.146CC..Hα-helixtrans-66.4-45.1174.9-74-5000111.2E687 K705 H706 I707 S711 R712 H713E687-N709 PolarHBondContact OE1-ND2 3.35Å; K705-N709 VanDerWaalsContact O-CG 3.28Å; K705-N709 PolarHBondContact O-N 3.34Å; K705-N709 PolarHBondContact O-OD1 3Å; H706-N709 PolarHBondContact O-N 3.45Å; I707-N709 PolarHBondContact O-N 3.29Å; N709-S711 PolarHBondContact O-N 2.89Å; N709-R712 WeakPolarHBondContact O-CA 3.29Å; N709-R712 WeakPolarHBondContact O-CB 3.45Å; N709-R712 PolarHBondContact O-N 3.28Å; N709-R712 PolarHBondContact OD1-NH1 3.33Å; N709-H713 PolarHBondContact O-CD2 3.42Å; N709-H713 VanDerWaalsContact O-CD2 3.23Å; N709-H713 PolarHBondContact O-N 2.97Å
710I98.7Very high97.7Very high0 Ų033.3 Ų33.30%016%0.158CC..Hα-helixtrans-56.2-42.1176.4-70.5167.2000110.6V684 E687 H706 I707 G714 I747 L751 M754V684-I710 HydrophobicContact CG1-CD1 4.45Å; V684-I710 HydrophobicContact CG1-CG1 4.46Å; V684-I710 HydrophobicContact CG1-CG2 4.14Å; V684-I710 HydrophobicContact CG2-CG2 4.31Å; E687-I710 HydrophobicContact CB-CD1 3.71Å; E687-I710 HydrophobicContact CB-CG1 3.45Å; E687-I710 VanDerWaalsContact CB-CG1 3.45Å; E687-I710 HydrophobicContact CG-CG1 3.97Å; H706-I710 VanDerWaalsContact O-CG1 3.31Å; H706-I710 WeakPolarHBondContact O-CG1 3.18Å; H706-I710 PolarHBondContact O-N 3.41Å; I707-I710 PolarHBondContact O-N 3.39Å; I710-G714 PolarHBondContact O-N 3.28Å; I710-I747 HydrophobicContact CG2-CG2 3.46Å; I710-I747 VanDerWaalsContact CG2-CG2 3.46Å; I710-L751 HydrophobicContact CB-CD2 3.89Å; I710-L751 HydrophobicContact CG2-CD1 4.23Å; I710-L751 HydrophobicContact CG2-CD2 3.67Å; I710-L751 HydrophobicContact CG2-CG 3.9Å; I710-M754 HydrophobicContact CD1-CE 3.71Å; I710-M754 HydrophobicContact CD1-SD 3.56Å; I710-M754 VanDerWaalsContact CD1-SD 3.56Å
711S97.9Very high97.7Very high0 Ų033.5 Ų33.50%016%0.159CC..Hα-helixtrans-70.2-32175.667.30000113.4N648 I707 L708 N709 G714 N715N648-S711 PolarHBondContact ND2-OG 3.33Å; N648-S711 VanDerWaalsContact OD1-C 3.27Å; N648-S711 WeakPolarHBondContact OD1-CB 3.45Å; N648-S711 PolarHBondContact OD1-OG 3.23Å; I707-S711 PolarHBondContact O-N 2.9Å; L708-S711 PolarHBondContact O-N 3.38Å; L708-S711 PolarHBondContact O-OG 3.34Å; N709-S711 PolarHBondContact O-N 2.89Å; S711-G714 PolarHBondContact O-N 2.92Å; S711-N715 WeakPolarHBondContact O-CB 3.47Å; S711-N715 PolarHBondContact O-N 2.84Å; S711-N715 PolarHBondContact O-ND2 3.38Å
712R98Very high97.6Very high70 Ų7033 Ų3326%0.26416%0.16SC..Hα-helixtrans-64.5-48.7172.7-71.8179.8-158108.31.8111.4E644 N648 L708 N709 G714 N715 Q716E644-R712 IonicContact OE1-NH2 3.52Å; E644-R712 PolarHBondContact OE1-NH2 2.64Å; E644-R712 IonicContact OE2-CZ 2.7Å; E644-R712 IonicContact OE2-NE 2.64Å; E644-R712 IonicContact OE2-NH2 3.26Å; E644-R712 PolarHBondContact OE2-NH2 3.37Å; N648-R712 WeakPolarHBondContact ND2-CG 3.39Å; N648-R712 WeakPolarHBondContact OD1-CG 3.09Å; N648-R712 PolarHBondContact OD1-N 3.17Å; L708-R712 WeakPolarHBondContact O-CG 3.2Å; L708-R712 PolarHBondContact O-N 2.79Å; N709-R712 WeakPolarHBondContact O-CA 3.29Å; N709-R712 WeakPolarHBondContact O-CB 3.45Å; N709-R712 PolarHBondContact O-N 3.28Å; N709-R712 PolarHBondContact OD1-NH1 3.33Å; R712-G714 VanDerWaalsContact C-N 3.28Å; R712-G714 PolarHBondContact O-N 3.14Å; R712-N715 WeakPolarHBondContact O-CB 3.35Å; R712-N715 PolarHBondContact O-N 3.13Å; R712-N715 VanDerWaalsContact O-N 3.15Å; R712-Q716 PolarHBondContact O-N 3.47Å
713H97.3Very high97.6Very high38 Ų3830.9 Ų30.918%0.17615%0.148CC..Hα-helixtrans-58.5-41.8174.6-64.8-42.9000111.5L680 E687 N709 Q716 Y717L680-H713 HydrophobicContact CD1-CB 4.02Å; E687-H713 IonicContact OE1-NE2 3.85Å; N709-H713 PolarHBondContact O-CD2 3.42Å; N709-H713 VanDerWaalsContact O-CD2 3.23Å; N709-H713 PolarHBondContact O-N 2.97Å; H713-Q716 PolarHBondContact O-N 3.04Å; H713-Y717 VanDerWaalsContact O-CB 3.27Å; H713-Y717 WeakPolarHBondContact O-CB 3.34Å; H713-Y717 PolarHBondContact O-N 2.63Å
714G97.9Very high97.5Very high0 Ų033.9 Ų33.90%016%0.16CC..Hα-helixtrans-61.7-44.617400000113.5F652 I710 S711 R712 Y717 I718F652-G714 WeakPolarHBondContact CE2-O 3.45Å; I710-G714 PolarHBondContact O-N 3.28Å; S711-G714 PolarHBondContact O-N 2.92Å; R712-G714 VanDerWaalsContact C-N 3.28Å; R712-G714 PolarHBondContact O-N 3.14Å; G714-Y717 PolarHBondContact O-N 3.01Å; G714-I718 WeakPolarHBondContact O-CG1 3.48Å; G714-I718 PolarHBondContact O-N 3.44Å
715N97.4Very high97.5Very high22 Ų2239.1 Ų39.112%0.11818%0.183CC..Hα-helixtrans-60.9-47.2175.7-85.5-56.8000111.7N648 N651 F652 S711 R712 Y717 I718 Q719N648-N715 PolarHBondContact O-ND2 2.84Å; N648-N715 PolarHBondContact OD1-ND2 3.15Å; N651-N715 PolarHBondContact ND2-OD1 2.79Å; F652-N715 PolarHBondContact N-OD1 3.26Å; S711-N715 WeakPolarHBondContact O-CB 3.47Å; S711-N715 PolarHBondContact O-N 2.84Å; S711-N715 PolarHBondContact O-ND2 3.38Å; R712-N715 WeakPolarHBondContact O-CB 3.35Å; R712-N715 PolarHBondContact O-N 3.13Å; R712-N715 VanDerWaalsContact O-N 3.15Å; N715-Y717 VanDerWaalsContact C-N 3.35Å; N715-I718 PolarHBondContact O-N 3.15Å; N715-Q719 VanDerWaalsContact O-CB 3.28Å; N715-Q719 WeakPolarHBondContact O-CB 3.46Å; N715-Q719 PolarHBondContact O-N 3.42Å
716Q96.5Very high97.4Very high79 Ų7937.6 Ų37.637%0.36918%0.176SC..Hα-helixtrans-60.3-45.7177.7-174.5-174.29.500111R712 H713 I718 Q719 V720R712-Q716 PolarHBondContact O-N 3.47Å; H713-Q716 PolarHBondContact O-N 3.04Å; Q716-I718 PolarHBondContact O-N 2.9Å; Q716-Q719 PolarHBondContact O-N 3.1Å; Q716-Q719 VanDerWaalsContact O-N 3.09Å; Q716-V720 HydrophobicContact CG-CG2 4.41Å; Q716-V720 WeakPolarHBondContact O-CG2 3.5Å; Q716-V720 PolarHBondContact O-N 2.97Å
717Y98Very high97.3Very high19 Ų1936.9 Ų36.98%0.07517%0.173CC..Hα-helixtrans-59-49.1177.9172.2-109.3000112.3D677 L680 H713 G714 N715 Q719 N721 R736 V740 V743D677-Y717 VanDerWaalsContact OD1-CE2 3.31Å; D677-Y717 WeakPolarHBondContact OD1-CE2 3.49Å; D677-Y717 VanDerWaalsContact OD1-CZ 3.28Å; D677-Y717 PolarHBondContact OD1-OH 3.27Å; L680-Y717 HydrophobicContact CD2-CD1 3.56Å; L680-Y717 HydrophobicContact CD2-CD2 3.62Å; L680-Y717 HydrophobicContact CD2-CE1 3.92Å; L680-Y717 HydrophobicContact CD2-CE2 3.97Å; L680-Y717 HydrophobicContact CD2-CG 3.37Å; H713-Y717 VanDerWaalsContact O-CB 3.27Å; H713-Y717 WeakPolarHBondContact O-CB 3.34Å; H713-Y717 PolarHBondContact O-N 2.63Å; G714-Y717 PolarHBondContact O-N 3.01Å; N715-Y717 VanDerWaalsContact C-N 3.35Å; Y717-Q719 VanDerWaalsContact C-N 3.26Å; Y717-Q719 PolarHBondContact O-N 2.99Å; Y717-N721 WeakPolarHBondContact O-CB 3.42Å; Y717-N721 PolarHBondContact O-N 2.85Å; Y717-N721 VanDerWaalsContact O-N 3.17Å; Y717-R736 PolarHBondContact OH-NH2 3.43Å; Y717-V740 HydrophobicContact CD1-CG1 4.16Å; Y717-V740 HydrophobicContact CE1-CB 4.09Å; Y717-V740 HydrophobicContact CE1-CG1 3.64Å; Y717-V740 HydrophobicContact CE1-CG2 4.26Å; Y717-V740 WeakPolarHBondContact OH-CA 3.32Å; Y717-V743 HydrophobicContact CE1-CB 4.32Å; Y717-V743 HydrophobicContact CE1-CG1 4.21Å
718I97.8Very high97.2Very high0 Ų045.2 Ų45.20%021%0.209CC..Hα-helixtrans-58.8-42.1173.9-73.2179.3000110.5F652 R655 F659 G714 N715 Q716 E722 P723 W724 S744F652-I718 HydrophobicContact CD2-CD1 3.69Å; F652-I718 HydrophobicContact CE2-CD1 3.61Å; F652-I718 HydrophobicContact CE2-CG1 4.18Å; R655-I718 HydrophobicContact CB-CD1 4.25Å; F659-I718 HydrophobicContact CE2-CG2 3.77Å; F659-I718 HydrophobicContact CZ-CG2 4.45Å; G714-I718 WeakPolarHBondContact O-CG1 3.48Å; G714-I718 PolarHBondContact O-N 3.44Å; N715-I718 PolarHBondContact O-N 3.15Å; Q716-I718 PolarHBondContact O-N 2.9Å; I718-E722 PolarHBondContact O-N 2.69Å; I718-P723 HydrophobicContact CG2-CG 4.34Å; I718-P723 VanDerWaalsContact O-CD 3.24Å; I718-P723 WeakPolarHBondContact O-CD 3.2Å; I718-W724 HydrophobicContact CG2-CE3 4.48Å; I718-W724 HydrophobicContact CG2-CZ3 3.72Å; I718-W724 WeakPolarHBondContact O-CZ3 3.4Å; I718-S744 VanDerWaalsContact CG1-OG 3.3Å; I718-S744 WeakPolarHBondContact CG1-OG 3.3Å
719Q96.8Very high97Very high92 Ų9246.5 Ų46.543%0.4322%0.222SC..Hα-helixtrans-68.6-45.1-174-170.258.133.500112.8N715 Q716 Y717 N721 E722N715-Q719 VanDerWaalsContact O-CB 3.28Å; N715-Q719 WeakPolarHBondContact O-CB 3.46Å; N715-Q719 PolarHBondContact O-N 3.42Å; Q716-Q719 PolarHBondContact O-N 3.1Å; Q716-Q719 VanDerWaalsContact O-N 3.09Å; Y717-Q719 VanDerWaalsContact C-N 3.26Å; Y717-Q719 PolarHBondContact O-N 2.99Å; Q719-N721 VanDerWaalsContact C-N 3.32Å; Q719-E722 WeakPolarHBondContact O-CG 3.43Å
720V96.3Very high96.8Very high105 Ų10546.5 Ų46.564%0.63623%0.232SC*.Hα-helixtrans-67.8-34.8178.6173.40000111.2Q716Q716-V720 HydrophobicContact CG-CG2 4.41Å; Q716-V720 WeakPolarHBondContact O-CG2 3.5Å; Q716-V720 PolarHBondContact O-N 2.97Å
721N97.1Very high96.5Very high4 Ų454.8 Ų54.82%0.02127%0.271CS..Hα-helixtrans-83.6-17.6-177.9-94.8-75.3000115.1E676 Y717 Q719 K726 R736 V740E676-N721 PolarHBondContact OE1-ND2 3.4Å; E676-N721 PolarHBondContact OE1-OD1 3.26Å; E676-N721 VanDerWaalsContact OE1-OD1 3.1Å; Y717-N721 WeakPolarHBondContact O-CB 3.42Å; Y717-N721 PolarHBondContact O-N 2.85Å; Y717-N721 VanDerWaalsContact O-N 3.17Å; Q719-N721 VanDerWaalsContact C-N 3.32Å; N721-K726 WeakPolarHBondContact O-CD 3.44Å; N721-K726 WeakPolarHBondContact O-CE 3.47Å; N721-K726 PolarHBondContact O-NZ 3.03Å; N721-K726 PolarHBondContact OD1-NZ 2.86Å; N721-R736 PolarHBondContact OD1-NE 2.85Å; N721-R736 VanDerWaalsContact OD1-NE 3.12Å; N721-V740 HydrophobicContact CB-CB 4.44Å; N721-V740 HydrophobicContact CB-CG1 3.96Å; N721-V740 HydrophobicContact CB-CG2 3.65Å
722E97.4Very high96.4Very high61 Ų6158.9 Ų58.929%0.28530%0.3SS..  trans44.252.4178.7-54.6-164.9120.200114.9I718 Q719 W724 K725 K726I718-E722 PolarHBondContact O-N 2.69Å; Q719-E722 WeakPolarHBondContact O-CG 3.43Å; E722-W724 HydrophobicContact CB-CH2 4.14Å; E722-W724 HydrophobicContact CB-CZ2 3.99Å; E722-W724 HydrophobicContact CG-CH2 4.04Å; E722-W724 HydrophobicContact CG-CZ2 3.9Å; E722-W724 PolarHBondContact O-N 3.33Å; E722-W724 VanDerWaalsContact O-N 3.08Å; E722-K725 HydrophobicContact CB-CB 4.29Å; E722-K725 HydrophobicContact CB-CD 4.24Å; E722-K725 HydrophobicContact CB-CG 4.34Å; E722-K725 PolarHBondContact O-N 3.44Å; E722-K725 WeakPolarHBondContact OE1-CE 3.46Å; E722-K725 IonicContact OE1-NZ 2.68Å; E722-K725 PolarHBondContact OE1-NZ 3.03Å; E722-K725 VanDerWaalsContact OE2-CD 3.3Å; E722-K725 WeakPolarHBondContact OE2-CD 3.32Å; E722-K725 WeakPolarHBondContact OE2-CE 3.37Å; E722-K725 IonicContact OE2-NZ 2.82Å; E722-K725 PolarHBondContact OE2-NZ 3.37Å; E722-K726 PolarHBondContact O-N 3.42Å; E722-K726 VanDerWaalsContact O-N 3.08Å
723P96.3Very high96.2Very high1 Ų160.1 Ų60.11%0.00631%0.308CS..Hα-helixtrans-58-29.3-174.123.1-35.2000113.6F659 I718 K725 K726 I727 A737 V740F659-P723 HydrophobicContact CD2-CG 4Å; F659-P723 HydrophobicContact CE2-CG 3.77Å; I718-P723 HydrophobicContact CG2-CG 4.34Å; I718-P723 VanDerWaalsContact O-CD 3.24Å; I718-P723 WeakPolarHBondContact O-CD 3.2Å; P723-K725 PolarHBondContact O-N 3.33Å; P723-K726 PolarHBondContact O-N 3.4Å; P723-I727 WeakPolarHBondContact O-CB 3.28Å; P723-I727 WeakPolarHBondContact O-CG2 3.47Å; P723-I727 PolarHBondContact O-N 3.13Å; P723-A737 HydrophobicContact CB-CB 4.08Å; P723-V740 HydrophobicContact CB-CB 4.39Å; P723-V740 HydrophobicContact CB-CG1 4.12Å; P723-V740 HydrophobicContact CG-CG1 3.85Å
724W96.1Very high96.1Very high62 Ų6264.5 Ų64.524%0.23532%0.323CS..Hα-helixtrans-68.7-18.517663.589.1000114F659 F663 I718 E722F659-W724 HydrophobicContact CE1-CB 4.24Å; F659-W724 HydrophobicContact CE1-CE3 4.44Å; F659-W724 HydrophobicContact CE2-CE3 4.1Å; F659-W724 HydrophobicContact CZ-CB 4.48Å; F659-W724 HydrophobicContact CZ-CD2 4.45Å; F659-W724 AromaticContact CZ-CE3 3.6Å; F659-W724 HydrophobicContact CZ-CE3 3.6Å; F659-W724 HydrophobicContact CZ-CZ3 4.32Å; F663-W724 HydrophobicContact CE2-CB 4.06Å; F663-W724 HydrophobicContact CZ-CB 4.04Å; I718-W724 HydrophobicContact CG2-CE3 4.48Å; I718-W724 HydrophobicContact CG2-CZ3 3.72Å; I718-W724 WeakPolarHBondContact O-CZ3 3.4Å; E722-W724 HydrophobicContact CB-CH2 4.14Å; E722-W724 HydrophobicContact CB-CZ2 3.99Å; E722-W724 HydrophobicContact CG-CH2 4.04Å; E722-W724 HydrophobicContact CG-CZ2 3.9Å; E722-W724 PolarHBondContact O-N 3.33Å; E722-W724 VanDerWaalsContact O-N 3.08Å
725K96.9Very high96.1Very high112 Ų11268.4 Ų68.449%0.48734%0.341SS..Hα-helixtrans-91.4-52.2169.9-64.4-174-169.1163.80110.3E722 P723 I727 K728E722-K725 HydrophobicContact CB-CB 4.29Å; E722-K725 HydrophobicContact CB-CD 4.24Å; E722-K725 HydrophobicContact CB-CG 4.34Å; E722-K725 PolarHBondContact O-N 3.44Å; E722-K725 WeakPolarHBondContact OE1-CE 3.46Å; E722-K725 IonicContact OE1-NZ 2.68Å; E722-K725 PolarHBondContact OE1-NZ 3.03Å; E722-K725 VanDerWaalsContact OE2-CD 3.3Å; E722-K725 WeakPolarHBondContact OE2-CD 3.32Å; E722-K725 WeakPolarHBondContact OE2-CE 3.37Å; E722-K725 IonicContact OE2-NZ 2.82Å; E722-K725 PolarHBondContact OE2-NZ 3.37Å; P723-K725 PolarHBondContact O-N 3.33Å; K725-I727 PolarHBondContact O-N 3.04Å; K725-I727 VanDerWaalsContact O-N 3.15Å; K725-K728 WeakPolarHBondContact O-CB 3.42Å; K725-K728 PolarHBondContact O-N 2.87Å
726K95.8Very high96.1Very high57 Ų5768 Ų6825%0.24834%0.339CS..Hα-helixtrans-57.7-30.4-176.8-69.6-171.6-177.61720113.4N721 E722 P723 K728 G729 E733 R736 A737N721-K726 WeakPolarHBondContact O-CD 3.44Å; N721-K726 WeakPolarHBondContact O-CE 3.47Å; N721-K726 PolarHBondContact O-NZ 3.03Å; N721-K726 PolarHBondContact OD1-NZ 2.86Å; E722-K726 PolarHBondContact O-N 3.42Å; E722-K726 VanDerWaalsContact O-N 3.08Å; P723-K726 PolarHBondContact O-N 3.4Å; K726-K728 PolarHBondContact O-N 3.27Å; K726-K728 VanDerWaalsContact O-N 3.14Å; K726-G729 PolarHBondContact O-N 2.89Å; K726-E733 HydrophobicContact CB-CB 4.17Å; K726-E733 CarbonylContact O-C 3.53Å; K726-E733 WeakPolarHBondContact O-CB 3.06Å; K726-R736 HydrophobicContact CD-CB 4.35Å; K726-R736 HydrophobicContact CD-CG 3.93Å; K726-A737 HydrophobicContact CB-CB 4.07Å
727I96.4Very high96.1Very high11 Ų1164.3 Ų64.36%0.05632%0.321CS..THydrogen-bonded Turntrans-61.6-21.1175.2-164.562.4000114.3F663 F664 P723 K725 G729 R734 A737F663-I727 HydrophobicContact CB-CD1 4.35Å; F663-I727 HydrophobicContact CB-CG1 3.97Å; F663-I727 HydrophobicContact CD1-CG1 4.24Å; F663-I727 HydrophobicContact CD1-CG2 4.06Å; F663-I727 HydrophobicContact CD2-CG2 4.4Å; F663-I727 HydrophobicContact CE1-CG2 4Å; F663-I727 HydrophobicContact CE2-CG2 4.34Å; F663-I727 HydrophobicContact CG-CG1 4.04Å; F663-I727 HydrophobicContact CG-CG2 4.27Å; F663-I727 HydrophobicContact CZ-CG2 4.14Å; F664-I727 HydrophobicContact CE1-CD1 3.91Å; F664-I727 HydrophobicContact CE2-CD1 4.37Å; F664-I727 HydrophobicContact CZ-CD1 3.6Å; P723-I727 WeakPolarHBondContact O-CB 3.28Å; P723-I727 WeakPolarHBondContact O-CG2 3.47Å; P723-I727 PolarHBondContact O-N 3.13Å; K725-I727 PolarHBondContact O-N 3.04Å; K725-I727 VanDerWaalsContact O-N 3.15Å; I727-G729 VanDerWaalsContact C-N 3.35Å; I727-R734 HydrophobicContact CD1-CB 4.49Å; I727-R734 HydrophobicContact CD1-CG 4.44Å; I727-R734 WeakPolarHBondContact O-CG 3.48Å; I727-R734 PolarHBondContact O-NH1 3.24Å; I727-A737 HydrophobicContact CB-CB 4.06Å; I727-A737 HydrophobicContact CD1-CB 4.2Å
728K95.5Very high96.2Very high175 Ų17563.6 Ų63.676%0.76132%0.319SS*.THydrogen-bonded Turntrans-90.7-2.3177-55.5179.3-175.9178.80112.8K725 K726K725-K728 WeakPolarHBondContact O-CB 3.42Å; K725-K728 PolarHBondContact O-N 2.87Å; K726-K728 PolarHBondContact O-N 3.27Å; K726-K728 VanDerWaalsContact O-N 3.14Å
729G94.6Very high96.2Very high28 Ų2863.7 Ų63.729%0.28932%0.32SS..SBendtrans-88.3-162.3-177.400000114K726 I727 E733K726-G729 PolarHBondContact O-N 2.89Å; I727-G729 VanDerWaalsContact C-N 3.35Å; G729-E733 WeakPolarHBondContact CA-OE2 3.49Å
730G93.6Very high96.3Very high41 Ų4159.3 Ų59.342%0.42330%0.3SS..  trans-68.9177.6176.300000113.5S732 E733 R734G730-S732 PolarHBondContact O-N 2.77Å; G730-E733 PolarHBondContact N-OE2 3.22Å; G730-E733 PolarHBondContact O-N 3.11Å; G730-E733 VanDerWaalsContact O-N 3.09Å; G730-R734 WeakPolarHBondContact O-CG 3.47Å; G730-R734 PolarHBondContact O-N 3.15Å
731E93.9Very high96.4Very high174 Ų17454.3 Ų54.381%0.81327%0.269SS*.Hα-helixtrans-56.6-44.4-175.7-173165-16100113.2E733 R734 Q735E731-E733 PolarHBondContact O-N 3.02Å; E731-R734 PolarHBondContact O-N 3.29Å; E731-Q735 WeakPolarHBondContact O-CB 3.33Å; E731-Q735 PolarHBondContact O-N 2.77Å
732S94.1Very high96.4Very high86 Ų8654.1 Ų54.160%0.60127%0.268SS*.Hα-helixtrans-64-37.2176.4-178.30000113G730 Q735 R736G730-S732 PolarHBondContact O-N 2.77Å; S732-Q735 PolarHBondContact O-N 3.03Å; S732-R736 PolarHBondContact O-N 3.05Å
733E95.4Very high96.5Very high95 Ų9551.2 Ų51.244%0.44426%0.255SS..Hα-helixtrans-70.8-38.1177-63.9-177.7106.100111.6K726 G729 G730 E731 R736 A737K726-E733 HydrophobicContact CB-CB 4.17Å; K726-E733 CarbonylContact O-C 3.53Å; K726-E733 WeakPolarHBondContact O-CB 3.06Å; G729-E733 WeakPolarHBondContact CA-OE2 3.49Å; G730-E733 PolarHBondContact N-OE2 3.22Å; G730-E733 PolarHBondContact O-N 3.11Å; G730-E733 VanDerWaalsContact O-N 3.09Å; E731-E733 PolarHBondContact O-N 3.02Å; E733-R736 PolarHBondContact O-N 2.91Å; E733-A737 WeakPolarHBondContact O-CB 3.33Å; E733-A737 PolarHBondContact O-N 3.26Å
734R95.5Very high96.6Very high131 Ų13151.2 Ų51.249%0.49425%0.254SS..Hα-helixtrans-63.9-42.1173.8-70.2174.867.593.1-4.1111.7I727 G730 E731 A737 G738I727-R734 HydrophobicContact CD1-CB 4.49Å; I727-R734 HydrophobicContact CD1-CG 4.44Å; I727-R734 WeakPolarHBondContact O-CG 3.48Å; I727-R734 PolarHBondContact O-NH1 3.24Å; G730-R734 WeakPolarHBondContact O-CG 3.47Å; G730-R734 PolarHBondContact O-N 3.15Å; E731-R734 PolarHBondContact O-N 3.29Å; R734-A737 PolarHBondContact O-N 3.47Å; R734-G738 PolarHBondContact O-N 2.94Å
735Q96.8Very high96.6Very high81 Ų8148.2 Ų48.238%0.37924%0.243SC..Hα-helixtrans-61.3-45.3174.3-173.1-175.940.300111.1E672 E731 S732 A737 G738 T739E672-Q735 PolarHBondContact OE1-NE2 3.12Å; E672-Q735 PolarHBondContact OE2-NE2 3.38Å; E731-Q735 WeakPolarHBondContact O-CB 3.33Å; E731-Q735 PolarHBondContact O-N 2.77Å; S732-Q735 PolarHBondContact O-N 3.03Å; Q735-A737 PolarHBondContact O-N 3Å; Q735-G738 CarbonylContact O-C 3.58Å; Q735-G738 WeakPolarHBondContact O-CA 3.28Å; Q735-G738 PolarHBondContact O-N 3.25Å; Q735-G738 VanDerWaalsContact O-N 3.08Å; Q735-T739 PolarHBondContact O-N 3.34Å; Q735-T739 PolarHBondContact O-OG1 3.38Å
736R97.4Very high96.7Very high15 Ų1542.9 Ų42.96%0.05722%0.22CC..Hα-helixtrans-59.6-45.3174.2-175.570-150133.7-0.4112.2E676 D677 Y717 N721 K726 S732 E733 G738 T739 V740E676-R736 IonicContact OE1-CZ 3.23Å; E676-R736 VanDerWaalsContact OE1-CZ 3.23Å; E676-R736 IonicContact OE1-NE 3.23Å; E676-R736 PolarHBondContact OE1-NE 3.29Å; E676-R736 IonicContact OE1-NH2 2.65Å; E676-R736 PolarHBondContact OE1-NH2 3.03Å; D677-R736 IonicContact OD1-CZ 3.39Å; D677-R736 IonicContact OD1-NH1 3.27Å; D677-R736 PolarHBondContact OD1-NH1 2.98Å; D677-R736 IonicContact OD1-NH2 2.66Å; D677-R736 PolarHBondContact OD1-NH2 3.45Å; D677-R736 IonicContact OD2-CZ 3.53Å; D677-R736 IonicContact OD2-NH1 2.7Å; D677-R736 PolarHBondContact OD2-NH1 2.87Å; D677-R736 IonicContact OD2-NH2 3.55Å; Y717-R736 PolarHBondContact OH-NH2 3.43Å; N721-R736 PolarHBondContact OD1-NE 2.85Å; N721-R736 VanDerWaalsContact OD1-NE 3.12Å; K726-R736 HydrophobicContact CD-CB 4.35Å; K726-R736 HydrophobicContact CD-CG 3.93Å; S732-R736 PolarHBondContact O-N 3.05Å; E733-R736 PolarHBondContact O-N 2.91Å; R736-G738 PolarHBondContact O-N 2.94Å; R736-T739 PolarHBondContact O-N 3.47Å; R736-V740 HydrophobicContact CG-CG2 4.5Å; R736-V740 VanDerWaalsContact CZ-CG2 3.49Å; R736-V740 VanDerWaalsContact NH2-CG2 3.32Å; R736-V740 VanDerWaalsContact O-CG2 3.23Å; R736-V740 WeakPolarHBondContact O-CG2 3.35Å; R736-V740 PolarHBondContact O-N 3.23Å
737A97.6Very high96.8Very high1 Ų140.2 Ų40.21%0.00821%0.208CC..Hα-helixtrans-60.3-35.8174.900000111.9P723 K726 I727 E733 R734 Q735 T741P723-A737 HydrophobicContact CB-CB 4.08Å; K726-A737 HydrophobicContact CB-CB 4.07Å; I727-A737 HydrophobicContact CB-CB 4.06Å; I727-A737 HydrophobicContact CD1-CB 4.2Å; E733-A737 WeakPolarHBondContact O-CB 3.33Å; E733-A737 PolarHBondContact O-N 3.26Å; R734-A737 PolarHBondContact O-N 3.47Å; Q735-A737 PolarHBondContact O-N 3Å; A737-T741 VanDerWaalsContact O-CB 3.27Å; A737-T741 WeakPolarHBondContact O-CB 3.47Å; A737-T741 PolarHBondContact O-N 2.87Å; A737-T741 PolarHBondContact O-OG1 2.94Å
738G98.1Very high96.9Very high3 Ų339.7 Ų39.73%0.03121%0.206CC..Hα-helixtrans-58.9-59.517100000112.1P669 R734 Q735 R736 V740 T741 G742P669-G738 WeakPolarHBondContact CG-O 3.42Å; R734-G738 PolarHBondContact O-N 2.94Å; Q735-G738 CarbonylContact O-C 3.58Å; Q735-G738 WeakPolarHBondContact O-CA 3.28Å; Q735-G738 PolarHBondContact O-N 3.25Å; Q735-G738 VanDerWaalsContact O-N 3.08Å; R736-G738 PolarHBondContact O-N 2.94Å; G738-V740 VanDerWaalsContact C-N 3.33Å; G738-V740 PolarHBondContact O-N 3.16Å; G738-T741 PolarHBondContact O-N 3.37Å; G738-T741 VanDerWaalsContact O-N 3.12Å; G738-G742 PolarHBondContact O-N 3.35Å
739T98.3Very high97Very high2 Ų231.4 Ų31.41%0.01217%0.17CC..Hα-helixtrans-53-49.7178.7-58.70000111.8M671 E672 L673 D677 Q735 R736 T741 G742 V743M671-T739 HydrophobicContact CB-CG2 4.37Å; E672-T739 PolarHBondContact N-OG1 3.48Å; E672-T739 VanDerWaalsContact O-CG2 3.29Å; E672-T739 WeakPolarHBondContact O-CG2 3.18Å; E672-T739 PolarHBondContact O-OG1 2.89Å; E672-T739 VanDerWaalsContact O-OG1 3.05Å; L673-T739 HydrophobicContact CD2-CG2 4.25Å; D677-T739 WeakPolarHBondContact OD2-CG2 3.44Å; Q735-T739 PolarHBondContact O-N 3.34Å; Q735-T739 PolarHBondContact O-OG1 3.38Å; R736-T739 PolarHBondContact O-N 3.47Å; T739-T741 VanDerWaalsContact C-N 3.3Å; T739-T741 PolarHBondContact O-N 3.22Å; T739-G742 PolarHBondContact O-N 2.8Å; T739-V743 HydrophobicContact CG2-CG2 4.16Å; T739-V743 WeakPolarHBondContact O-CB 3.44Å; T739-V743 WeakPolarHBondContact O-CG2 3.36Å; T739-V743 PolarHBondContact O-N 3Å
740V98.4Very high97.2Very high1 Ų130 Ų301%0.00616%0.156CC..Hα-helixtrans-59.2-42.9-179.11730000111.5Y717 N721 P723 R736 G738 S744Y717-V740 HydrophobicContact CD1-CG1 4.16Å; Y717-V740 HydrophobicContact CE1-CB 4.09Å; Y717-V740 HydrophobicContact CE1-CG1 3.64Å; Y717-V740 HydrophobicContact CE1-CG2 4.26Å; Y717-V740 WeakPolarHBondContact OH-CA 3.32Å; N721-V740 HydrophobicContact CB-CB 4.44Å; N721-V740 HydrophobicContact CB-CG1 3.96Å; N721-V740 HydrophobicContact CB-CG2 3.65Å; P723-V740 HydrophobicContact CB-CB 4.39Å; P723-V740 HydrophobicContact CB-CG1 4.12Å; P723-V740 HydrophobicContact CG-CG1 3.85Å; R736-V740 HydrophobicContact CG-CG2 4.5Å; R736-V740 VanDerWaalsContact CZ-CG2 3.49Å; R736-V740 VanDerWaalsContact NH2-CG2 3.32Å; R736-V740 VanDerWaalsContact O-CG2 3.23Å; R736-V740 WeakPolarHBondContact O-CG2 3.35Å; R736-V740 PolarHBondContact O-N 3.23Å; G738-V740 VanDerWaalsContact C-N 3.33Å; G738-V740 PolarHBondContact O-N 3.16Å; V740-S744 VanDerWaalsContact O-CB 3.26Å; V740-S744 WeakPolarHBondContact O-CB 3.22Å; V740-S744 PolarHBondContact O-N 2.57Å; V740-S744 PolarHBondContact O-OG 3.44Å
741T98.4Very high97.4Very high0 Ų028.1 Ų28.10%014%0.136CC..Hα-helixtrans-66.6-45.4178.6-60.40000111.4F659 V660 F664 P669 A737 G738 T739 S744 V745F659-T741 HydrophobicContact CB-CG2 3.74Å; V660-T741 HydrophobicContact CB-CG2 4.37Å; V660-T741 HydrophobicContact CG2-CG2 3.48Å; V660-T741 VanDerWaalsContact CG2-CG2 3.48Å; F664-T741 HydrophobicContact CD2-CG2 4.05Å; F664-T741 HydrophobicContact CE2-CG2 3.95Å; P669-T741 HydrophobicContact CG-CG2 4.4Å; A737-T741 VanDerWaalsContact O-CB 3.27Å; A737-T741 WeakPolarHBondContact O-CB 3.47Å; A737-T741 PolarHBondContact O-N 2.87Å; A737-T741 PolarHBondContact O-OG1 2.94Å; G738-T741 PolarHBondContact O-N 3.37Å; G738-T741 VanDerWaalsContact O-N 3.12Å; T739-T741 VanDerWaalsContact C-N 3.3Å; T739-T741 PolarHBondContact O-N 3.22Å; T741-S744 PolarHBondContact O-N 3.16Å; T741-V745 PolarHBondContact O-N 2.94Å
742G98.2Very high97.6Very high0 Ų019.8 Ų19.80%010%0.097CC..Hα-helixtrans-64.6-43.3179.200000113.2M671 G738 T739 V745 N746M671-G742 VanDerWaalsContact SD-CA 3.6Å; G738-G742 PolarHBondContact O-N 3.35Å; T739-G742 PolarHBondContact O-N 2.8Å; G742-V745 WeakPolarHBondContact O-CG1 3.39Å; G742-N746 PolarHBondContact O-N 3.27Å; G742-N746 PolarHBondContact O-ND2 2.95Å
743V98.4Very high97.7Very high0 Ų015.7 Ų15.70%07%0.069CC..Hα-helixtrans-63.6-45.5175.1172.10000110.1W239 M671 L673 L680 L681 Y717 T739 V745 N746 I747W239-V743 HydrophobicContact CZ2-CG2 4.3Å; M671-V743 HydrophobicContact SD-CG2 4.28Å; L673-V743 HydrophobicContact CD2-CG2 3.8Å; L680-V743 HydrophobicContact CD2-CG1 4.15Å; L681-V743 HydrophobicContact CD2-CG1 4.21Å; Y717-V743 HydrophobicContact CE1-CB 4.32Å; Y717-V743 HydrophobicContact CE1-CG1 4.21Å; T739-V743 HydrophobicContact CG2-CG2 4.16Å; T739-V743 WeakPolarHBondContact O-CB 3.44Å; T739-V743 WeakPolarHBondContact O-CG2 3.36Å; T739-V743 PolarHBondContact O-N 3Å; V743-V745 PolarHBondContact O-N 3.19Å; V743-N746 PolarHBondContact O-N 2.94Å; V743-I747 HydrophobicContact CG1-CD1 4.06Å; V743-I747 HydrophobicContact CG1-CG1 4.49Å; V743-I747 WeakPolarHBondContact O-CG1 3.07Å; V743-I747 PolarHBondContact O-N 3.15Å
744S98.5Very high97.8Very high0 Ų011.2 Ų11.20%05%0.047CC..Hα-helixtrans-60.6-43.6-178.7-60.90000113.1F652 I718 V740 T741 N746 I747 A748F652-S744 WeakPolarHBondContact CZ-O 3.46Å; I718-S744 VanDerWaalsContact CG1-OG 3.3Å; I718-S744 WeakPolarHBondContact CG1-OG 3.3Å; V740-S744 VanDerWaalsContact O-CB 3.26Å; V740-S744 WeakPolarHBondContact O-CB 3.22Å; V740-S744 PolarHBondContact O-N 2.57Å; V740-S744 PolarHBondContact O-OG 3.44Å; T741-S744 PolarHBondContact O-N 3.16Å; S744-N746 VanDerWaalsContact C-N 3.31Å; S744-N746 PolarHBondContact O-N 3.46Å; S744-I747 PolarHBondContact O-N 2.91Å; S744-A748 PolarHBondContact O-N 3.34Å
745V98Very high97.9Very high0 Ų05 Ų50%02%0.024CC..Hα-helixtrans-70.4-29179.874.80000112.5V660 V668 T741 G742 V743 A748 C749 L770 L791V660-V745 HydrophobicContact CG2-CB 4.14Å; V660-V745 HydrophobicContact CG2-CG1 4.13Å; V660-V745 HydrophobicContact CG2-CG2 4.3Å; V668-V745 HydrophobicContact CG1-CG1 4.2Å; V668-V745 HydrophobicContact CG2-CG1 4.03Å; T741-V745 PolarHBondContact O-N 2.94Å; G742-V745 WeakPolarHBondContact O-CG1 3.39Å; V743-V745 PolarHBondContact O-N 3.19Å; V745-A748 WeakPolarHBondContact O-CB 3.46Å; V745-A748 PolarHBondContact O-N 2.98Å; V745-C749 PolarHBondContact O-N 2.79Å; V745-L770 HydrophobicContact CG2-CD1 4.35Å; V745-L770 HydrophobicContact CG2-CD2 3.41Å; V745-L770 VanDerWaalsContact CG2-CD2 3.41Å; V745-L770 HydrophobicContact CG2-CG 4.46Å; V745-L791 HydrophobicContact CG1-CD1 4.23Å; V745-L791 HydrophobicContact CG2-CD1 3.92Å
746N97.8Very high98Very high0 Ų02.5 Ų2.50%01%0.013CC..Hα-helixtrans-71.2-37.6171.8-86.8-80.9000112.4W239 G742 V743 S744 A748 C749 L750 A790 L791W239-N746 HydrophobicContact CH2-CB 3.29Å; W239-N746 HydrophobicContact CZ2-CB 4.06Å; W239-N746 HydrophobicContact CZ3-CB 4.02Å; G742-N746 PolarHBondContact O-N 3.27Å; G742-N746 PolarHBondContact O-ND2 2.95Å; V743-N746 PolarHBondContact O-N 2.94Å; S744-N746 VanDerWaalsContact C-N 3.31Å; S744-N746 PolarHBondContact O-N 3.46Å; N746-A748 VanDerWaalsContact C-N 3.3Å; N746-A748 PolarHBondContact O-N 3.42Å; N746-C749 VanDerWaalsContact O-CB 3.31Å; N746-C749 WeakPolarHBondContact O-CB 3.34Å; N746-C749 PolarHBondContact O-N 2.92Å; N746-L750 PolarHBondContact O-N 3.45Å; N746-A790 PolarHBondContact OD1-N 3.25Å; N746-L791 PolarHBondContact ND2-O 2.77Å; N746-L791 PolarHBondContact OD1-N 3.1Å
747I98.5Very high98Very high0 Ų01.8 Ų1.80%01%0.011CC..Hα-helixtrans-62-41.7170.3-61.4168.3000109.8F652 L680 V684 I710 V743 S744 C749 L750 L751 F787F652-I747 HydrophobicContact CE1-CB 3.85Å; F652-I747 HydrophobicContact CE1-CG2 3.55Å; F652-I747 HydrophobicContact CZ-CB 3.78Å; F652-I747 HydrophobicContact CZ-CD1 4.24Å; F652-I747 HydrophobicContact CZ-CG2 3.81Å; L680-I747 HydrophobicContact CD2-CD1 3.76Å; L680-I747 HydrophobicContact CG-CD1 4.21Å; V684-I747 HydrophobicContact CG2-CD1 4.21Å; V684-I747 HydrophobicContact CG2-CG1 4.41Å; I710-I747 HydrophobicContact CG2-CG2 3.46Å; I710-I747 VanDerWaalsContact CG2-CG2 3.46Å; V743-I747 HydrophobicContact CG1-CD1 4.06Å; V743-I747 HydrophobicContact CG1-CG1 4.49Å; V743-I747 WeakPolarHBondContact O-CG1 3.07Å; V743-I747 PolarHBondContact O-N 3.15Å; S744-I747 PolarHBondContact O-N 2.91Å; I747-C749 VanDerWaalsContact C-N 3.27Å; I747-C749 PolarHBondContact O-N 3.26Å; I747-L750 PolarHBondContact O-N 3.37Å; I747-L750 VanDerWaalsContact O-N 3.17Å; I747-L751 HydrophobicContact CG2-CD1 4.15Å; I747-L751 HydrophobicContact CG2-CG 4.39Å; I747-L751 WeakPolarHBondContact O-CG 3.21Å; I747-L751 PolarHBondContact O-N 3.42Å; I747-F787 HydrophobicContact CB-CZ 4.14Å; I747-F787 HydrophobicContact CG1-CE1 3.91Å; I747-F787 HydrophobicContact CG1-CZ 3.46Å; I747-F787 VanDerWaalsContact CG1-CZ 3.46Å
748A98.4Very high98.1Very high1 Ų11.8 Ų1.81%0.0081%0.01CC..Hα-helixtrans-60.1-37.4174.500000112.4F652 I653 S744 V745 N746 L751 S752 L770F652-A748 HydrophobicContact CE1-CB 4.46Å; I653-A748 HydrophobicContact CB-CB 4.34Å; I653-A748 HydrophobicContact CG1-CB 3.97Å; I653-A748 HydrophobicContact CG2-CB 4.07Å; S744-A748 PolarHBondContact O-N 3.34Å; V745-A748 WeakPolarHBondContact O-CB 3.46Å; V745-A748 PolarHBondContact O-N 2.98Å; N746-A748 VanDerWaalsContact C-N 3.3Å; N746-A748 PolarHBondContact O-N 3.42Å; A748-L751 PolarHBondContact O-N 3.43Å; A748-S752 PolarHBondContact O-N 3.21Å; A748-L770 HydrophobicContact CB-CD1 4.07Å
749C97.5Very high98.1Very high0 Ų01.6 Ų1.60%01%0.009CC..Hα-helixtrans-61.8-47172.5-171.10000111.8V745 N746 I747 S752 V753 L770 L791V745-C749 PolarHBondContact O-N 2.79Å; N746-C749 VanDerWaalsContact O-CB 3.31Å; N746-C749 WeakPolarHBondContact O-CB 3.34Å; N746-C749 PolarHBondContact O-N 2.92Å; I747-C749 VanDerWaalsContact C-N 3.27Å; I747-C749 PolarHBondContact O-N 3.26Å; C749-S752 WeakPolarHBondContact O-CB 3.46Å; C749-S752 PolarHBondContact O-N 3.13Å; C749-S752 PolarHBondContact O-OG 3.42Å; C749-V753 PolarHBondContact O-N 3.23Å; C749-L770 HydrophobicContact CB-CD1 4.16Å; C749-L791 HydrophobicContact CB-CD1 3.98Å; C749-L791 HydrophobicContact CB-CG 4.16Å
750L97.6Very high98.1Very high0 Ų02 Ų20%01%0.011CC..Hα-helixtrans-60.2-47.2175.3172.466.3000111.9V684 L688 N746 I747 S752 V753 M754 M780 F787V684-L750 HydrophobicContact CG1-CD2 3.53Å; L688-L750 HydrophobicContact CD1-CD1 4.11Å; L688-L750 HydrophobicContact CD2-CD1 4.01Å; L688-L750 HydrophobicContact CD2-CD2 4.36Å; N746-L750 PolarHBondContact O-N 3.45Å; I747-L750 PolarHBondContact O-N 3.37Å; I747-L750 VanDerWaalsContact O-N 3.17Å; L750-S752 PolarHBondContact O-N 2.84Å; L750-V753 WeakPolarHBondContact O-CB 3.4Å; L750-V753 PolarHBondContact O-N 3.37Å; L750-M754 HydrophobicContact CD1-CG 4.13Å; L750-M754 HydrophobicContact CD1-SD 4.18Å; L750-M754 HydrophobicContact CD2-SD 4.17Å; L750-M754 HydrophobicContact CG-CG 4.3Å; L750-M754 HydrophobicContact CG-SD 3.89Å; L750-M754 PolarHBondContact O-N 3.48Å; L750-M780 HydrophobicContact CB-SD 4.03Å; L750-M780 HydrophobicContact CD1-CB 3.97Å; L750-M780 HydrophobicContact CD1-CG 4.24Å; L750-M780 HydrophobicContact CD1-SD 3.69Å; L750-M780 HydrophobicContact CG-SD 4.5Å; L750-F787 HydrophobicContact CB-CD2 3.9Å; L750-F787 HydrophobicContact CB-CE2 3.67Å; L750-F787 HydrophobicContact CD2-CB 4.37Å; L750-F787 HydrophobicContact CD2-CD2 3.53Å; L750-F787 HydrophobicContact CD2-CE2 3.86Å; L750-F787 HydrophobicContact CD2-CG 3.96Å; L750-F787 HydrophobicContact CG-CD2 4.16Å; L750-F787 HydrophobicContact CG-CE2 4.35Å
751L98.5Very high98.1Very high0 Ų04 Ų40%03%0.028CC..Hα-helixtrans-56.2-38.5178.1-76.2170.1000111.4L649 F652 I653 I707 I710 I747 A748 V753 M754 L755L649-L751 HydrophobicContact CD1-CD1 3.99Å; L649-L751 HydrophobicContact CD1-CD2 4.31Å; F652-L751 HydrophobicContact CD1-CD1 3.69Å; F652-L751 HydrophobicContact CE1-CD1 3.81Å; I653-L751 HydrophobicContact CD1-CD1 4.48Å; I653-L751 HydrophobicContact CG1-CD1 4.36Å; I707-L751 HydrophobicContact CG2-CD2 3.74Å; I707-L751 WeakPolarHBondContact O-CD2 3.31Å; I710-L751 HydrophobicContact CB-CD2 3.89Å; I710-L751 HydrophobicContact CG2-CD1 4.23Å; I710-L751 HydrophobicContact CG2-CD2 3.67Å; I710-L751 HydrophobicContact CG2-CG 3.9Å; I747-L751 HydrophobicContact CG2-CD1 4.15Å; I747-L751 HydrophobicContact CG2-CG 4.39Å; I747-L751 WeakPolarHBondContact O-CG 3.21Å; I747-L751 PolarHBondContact O-N 3.42Å; A748-L751 PolarHBondContact O-N 3.43Å; L751-V753 VanDerWaalsContact C-N 3.26Å; L751-V753 PolarHBondContact O-N 2.98Å; L751-M754 PolarHBondContact O-N 2.94Å; L751-L755 WeakPolarHBondContact O-CB 3.37Å; L751-L755 PolarHBondContact O-N 3.37Å
752S97.5Very high98.1Very high0 Ų04.8 Ų4.80%03%0.033CC..Hα-helixtrans-58.6-38175.483.60000112.4A748 C749 L750 L756 S763 R767A748-S752 PolarHBondContact O-N 3.21Å; C749-S752 WeakPolarHBondContact O-CB 3.46Å; C749-S752 PolarHBondContact O-N 3.13Å; C749-S752 PolarHBondContact O-OG 3.42Å; L750-S752 PolarHBondContact O-N 2.84Å; S752-L756 PolarHBondContact O-N 3.02Å; S752-S763 WeakPolarHBondContact O-CB 3.47Å; S752-S763 PolarHBondContact O-OG 3.23Å; S752-R767 VanDerWaalsContact OG-CG 3.3Å; S752-R767 WeakPolarHBondContact OG-CG 3.44Å
753V96.4Very high98.1Very high0 Ų04.8 Ų4.80%03%0.033CC..Hα-helixtrans-73.1-48.1179.5178.60000110.5L299 C749 L750 L751 L755 L756 I777 M780 L781L299-V753 HydrophobicContact CD2-CG1 4.37Å; C749-V753 PolarHBondContact O-N 3.23Å; L750-V753 WeakPolarHBondContact O-CB 3.4Å; L750-V753 PolarHBondContact O-N 3.37Å; L751-V753 VanDerWaalsContact C-N 3.26Å; L751-V753 PolarHBondContact O-N 2.98Å; V753-L755 PolarHBondContact O-N 3.22Å; V753-L756 WeakPolarHBondContact O-CB 3.5Å; V753-L756 PolarHBondContact O-N 3.16Å; V753-I777 HydrophobicContact CG2-CG1 4.19Å; V753-M780 HydrophobicContact CG2-SD 4.45Å; V753-L781 HydrophobicContact CG1-CD1 3.63Å; V753-L781 HydrophobicContact CG1-CG 4.01Å
754M98.1Very high98Very high0 Ų08.1 Ų8.10%05%0.048CC..Hα-helixtrans-64-29.1179-61.3175.974.600113L688 Y691 I707 I710 L750 L751 P757L688-M754 HydrophobicContact CD1-CE 3.92Å; L688-M754 HydrophobicContact CD1-CG 4.01Å; L688-M754 HydrophobicContact CD1-SD 3.82Å; Y691-M754 VanDerWaalsContact CB-CE 3.5Å; Y691-M754 HydrophobicContact CD1-CE 3.84Å; Y691-M754 HydrophobicContact CD2-CE 3.83Å; Y691-M754 HydrophobicContact CG-CE 3.43Å; Y691-M754 VanDerWaalsContact CG-CE 3.43Å; Y691-M754 PolarHBondContact OH-O 3.16Å; Y691-M754 VanDerWaalsContact OH-O 3.13Å; I707-M754 HydrophobicContact CD1-CB 4.09Å; I707-M754 VanDerWaalsContact CD1-O 3.29Å; I707-M754 WeakPolarHBondContact CD1-O 3.33Å; I707-M754 HydrophobicContact CG1-CB 3.99Å; I707-M754 HydrophobicContact CG1-CE 4.07Å; I710-M754 HydrophobicContact CD1-CE 3.71Å; I710-M754 HydrophobicContact CD1-SD 3.56Å; I710-M754 VanDerWaalsContact CD1-SD 3.56Å; L750-M754 HydrophobicContact CD1-CG 4.13Å; L750-M754 HydrophobicContact CD1-SD 4.18Å; L750-M754 HydrophobicContact CD2-SD 4.17Å; L750-M754 HydrophobicContact CG-CG 4.3Å; L750-M754 HydrophobicContact CG-SD 3.89Å; L750-M754 PolarHBondContact O-N 3.48Å; L751-M754 PolarHBondContact O-N 2.94Å; M754-P757 VanDerWaalsContact O-CD 3.31Å; M754-P757 WeakPolarHBondContact O-CD 3.17Å
755L98.3Very high98Very high2 Ų210.9 Ų10.91%0.017%0.065CC..Hα-helixtrans-79.9-17.2180-165.170.9000112.8L649 I707 L751 V753 P757 Y758 M759 V762 I766L649-L755 HydrophobicContact CD2-CD1 4.19Å; L649-L755 HydrophobicContact CD2-CD2 4.07Å; I707-L755 HydrophobicContact CG2-CD1 4.24Å; L751-L755 WeakPolarHBondContact O-CB 3.37Å; L751-L755 PolarHBondContact O-N 3.37Å; V753-L755 PolarHBondContact O-N 3.22Å; L755-P757 VanDerWaalsContact C-N 3.34Å; L755-Y758 PolarHBondContact O-N 3.06Å; L755-M759 HydrophobicContact CD1-CB 4.32Å; L755-M759 HydrophobicContact CD1-CG 4.12Å; L755-M759 HydrophobicContact CD1-SD 3.88Å; L755-M759 HydrophobicContact CD2-CB 4.1Å; L755-M759 HydrophobicContact CD2-SD 4.17Å; L755-M759 HydrophobicContact CG-CB 3.92Å; L755-M759 HydrophobicContact CG-CG 4.27Å; L755-M759 HydrophobicContact CG-SD 4.3Å; L755-M759 PolarHBondContact O-N 3.48Å; L755-V762 HydrophobicContact CD2-CB 4.33Å; L755-V762 HydrophobicContact CD2-CG1 3.78Å; L755-I766 HydrophobicContact CD2-CD1 4.18Å
756L97.5Very high98Very high28 Ų2811 Ų1115%0.1477%0.066CC..THydrogen-bonded Turntrans-52.2-43.7-177.2-177.772.4000113.6L299 S752 V753 Y758 P760 S763L299-L756 HydrophobicContact CD1-CB 4.17Å; L299-L756 HydrophobicContact CD1-CD2 4.11Å; L299-L756 HydrophobicContact CD2-CD2 3.67Å; L299-L756 HydrophobicContact CG-CD2 4.13Å; S752-L756 PolarHBondContact O-N 3.02Å; V753-L756 WeakPolarHBondContact O-CB 3.5Å; V753-L756 PolarHBondContact O-N 3.16Å; L756-Y758 PolarHBondContact O-N 3.24Å; L756-P760 HydrophobicContact CD1-CB 4.3Å; L756-S763 VanDerWaalsContact CA-OG 3.3Å; L756-S763 WeakPolarHBondContact CA-OG 3.25Å; L756-S763 WeakPolarHBondContact CB-OG 3.32Å; L756-S763 WeakPolarHBondContact CD1-OG 3.32Å; L756-S763 PolarHBondContact N-OG 3.46Å
757P98.4Very high97.9Very high0 Ų011.4 Ų11.40%07%0.067CC..THydrogen-bonded Turntrans-63.7-28.3176.5-2639.7000113.9V292 R295 L299 R617 M754 L755V292-P757 HydrophobicContact CB-CB 4.5Å; V292-P757 HydrophobicContact CG1-CB 3.72Å; V292-P757 WeakPolarHBondContact CG2-O 3.47Å; V292-P757 WeakPolarHBondContact O-CB 3.29Å; R295-P757 HydrophobicContact CB-CB 4.05Å; R295-P757 HydrophobicContact CB-CG 4.25Å; L299-P757 HydrophobicContact CD1-CG 3.55Å; R617-P757 PolarHBondContact NH2-O 2.68Å; M754-P757 VanDerWaalsContact O-CD 3.31Å; M754-P757 WeakPolarHBondContact O-CD 3.17Å; L755-P757 VanDerWaalsContact C-N 3.34Å
758Y98.8Very high97.8Very high0 Ų016 Ų160%09%0.092CC..THydrogen-bonded Turntrans-95.3-50.1-172.1-66.7-95.7000112.7V292 R617 L621 Y691 M695 I700 A703 L704 I707 L755 L756V292-Y758 HydrophobicContact CG1-CD2 4.49Å; V292-Y758 HydrophobicContact CG1-CE1 4.27Å; V292-Y758 HydrophobicContact CG1-CE2 4.18Å; R617-Y758 WeakPolarHBondContact CB-O 3.44Å; R617-Y758 PolarHBondContact NE-O 3.49Å; L621-Y758 HydrophobicContact CB-CD1 4.13Å; L621-Y758 HydrophobicContact CB-CE1 4.43Å; L621-Y758 HydrophobicContact CD1-CD1 3.63Å; L621-Y758 HydrophobicContact CD1-CE1 4.38Å; L621-Y758 HydrophobicContact CD1-CG 4.34Å; L621-Y758 HydrophobicContact CG-CD1 4.43Å; Y691-Y758 AromaticContact CE2-CE2 3.76Å; Y691-Y758 HydrophobicContact CE2-CE2 3.76Å; M695-Y758 PolarHBondContact SD-OH 2.95Å; I700-Y758 HydrophobicContact CG2-CE1 3.81Å; I700-Y758 PolarHBondContact O-OH 3.42Å; A703-Y758 WeakPolarHBondContact CB-OH 3.44Å; L704-Y758 HydrophobicContact CB-CD1 4.24Å; L704-Y758 HydrophobicContact CB-CE1 3.69Å; L704-Y758 HydrophobicContact CD1-CD1 3.8Å; L704-Y758 HydrophobicContact CD1-CE1 4.1Å; L704-Y758 HydrophobicContact CD1-CG 4.09Å; L704-Y758 HydrophobicContact CD2-CD1 4.21Å; L704-Y758 HydrophobicContact CD2-CE1 4.35Å; L704-Y758 HydrophobicContact CG-CD1 4.3Å; L704-Y758 HydrophobicContact CG-CE1 4.25Å; L704-Y758 PolarHBondContact N-OH 2.91Å; I707-Y758 HydrophobicContact CD1-CD2 3.82Å; I707-Y758 HydrophobicContact CD1-CE2 3.9Å; L755-Y758 PolarHBondContact O-N 3.06Å; L756-Y758 PolarHBondContact O-N 3.24Å
759M98.8Very high97.8Very high0 Ų016.6 Ų16.60%09%0.094CC..  trans-133.475.9-175.1-53.7174.580.200109.2D614 F618 L645 L755 A761 V762 S763 F804D614-M759 HydrophobicContact CB-CB 3.93Å; D614-M759 HydrophobicContact CB-CE 3.9Å; D614-M759 HydrophobicContact CB-CG 4.27Å; D614-M759 VanDerWaalsContact CG-CA 3.47Å; D614-M759 WeakPolarHBondContact O-CE 3.46Å; D614-M759 WeakPolarHBondContact OD2-CA 3.11Å; D614-M759 WeakPolarHBondContact OD2-CB 3.42Å; F618-M759 HydrophobicContact CB-CE 3.95Å; F618-M759 HydrophobicContact CB-CG 4.15Å; F618-M759 HydrophobicContact CB-SD 3.82Å; F618-M759 HydrophobicContact CD2-SD 4.24Å; F618-M759 HydrophobicContact CG-SD 4.3Å; L645-M759 HydrophobicContact CD1-CE 3.87Å; L645-M759 HydrophobicContact CD2-CE 4.03Å; L645-M759 HydrophobicContact CD2-SD 3.9Å; L755-M759 HydrophobicContact CD1-CB 4.32Å; L755-M759 HydrophobicContact CD1-CG 4.12Å; L755-M759 HydrophobicContact CD1-SD 3.88Å; L755-M759 HydrophobicContact CD2-CB 4.1Å; L755-M759 HydrophobicContact CD2-SD 4.17Å; L755-M759 HydrophobicContact CG-CB 3.92Å; L755-M759 HydrophobicContact CG-CG 4.27Å; L755-M759 HydrophobicContact CG-SD 4.3Å; L755-M759 PolarHBondContact O-N 3.48Å; M759-A761 PolarHBondContact O-N 2.82Å; M759-V762 HydrophobicContact CB-CB 4.05Å; M759-V762 HydrophobicContact CB-CG2 4.45Å; M759-V762 HydrophobicContact CE-CG2 4.1Å; M759-V762 PolarHBondContact O-N 2.95Å; M759-S763 WeakPolarHBondContact O-CB 3.38Å; M759-S763 PolarHBondContact O-N 3.42Å; M759-F804 HydrophobicContact CE-CE1 3.55Å; M759-F804 HydrophobicContact CE-CZ 4.16Å
760P98.3Very high97.8Very high10 Ų1016.8 Ų16.87%0.06510%0.095CC..Hα-helixtrans-61.5-36.5-17118.2-29.5000114.3Q347 D614 L756 S763 Q764Q347-P760 HydrophobicContact CB-CG 4.02Å; D614-P760 WeakPolarHBondContact OD1-CD 3.48Å; L756-P760 HydrophobicContact CD1-CB 4.3Å; P760-S763 WeakPolarHBondContact O-CB 3.24Å; P760-Q764 PolarHBondContact O-N 2.96Å
761A98.1Very high97.7Very high43 Ų4321.3 Ų21.336%0.35512%0.12SC..Hα-helixtrans-71.5-41.2179.300000112.1D614 M759 Q764 T765D614-A761 WeakPolarHBondContact OD2-CA 3.46Å; D614-A761 WeakPolarHBondContact OD2-CB 3.43Å; D614-A761 PolarHBondContact OD2-N 2.87Å; M759-A761 PolarHBondContact O-N 2.82Å; A761-Q764 PolarHBondContact O-N 2.89Å; A761-T765 WeakPolarHBondContact O-CB 3.39Å; A761-T765 PolarHBondContact O-N 2.77Å; A761-T765 PolarHBondContact O-OG1 3.32Å
762V98.5Very high97.5Very high17 Ų1721.8 Ų21.810%0.10312%0.123CC..Hα-helixtrans-66.5-42.2175.3172.90000110.5D614 L755 M759 Q764 T765 I766 F804D614-V762 HydrophobicContact CB-CG2 4.05Å; D614-V762 WeakPolarHBondContact OD2-CG2 3.15Å; D614-V762 PolarHBondContact OD2-N 3.5Å; L755-V762 HydrophobicContact CD2-CB 4.33Å; L755-V762 HydrophobicContact CD2-CG1 3.78Å; M759-V762 HydrophobicContact CB-CB 4.05Å; M759-V762 HydrophobicContact CB-CG2 4.45Å; M759-V762 HydrophobicContact CE-CG2 4.1Å; M759-V762 PolarHBondContact O-N 2.95Å; V762-Q764 VanDerWaalsContact C-N 3.34Å; V762-Q764 PolarHBondContact O-N 3.02Å; V762-T765 WeakPolarHBondContact O-CB 3.47Å; V762-T765 PolarHBondContact O-N 2.95Å; V762-I766 HydrophobicContact CG1-CD1 3.88Å; V762-I766 HydrophobicContact CG1-CG1 4.4Å; V762-I766 WeakPolarHBondContact O-CD1 3.29Å; V762-I766 VanDerWaalsContact O-CG1 3.26Å; V762-I766 WeakPolarHBondContact O-CG1 3.29Å; V762-I766 PolarHBondContact O-N 3.29Å; V762-F804 HydrophobicContact CG1-CE1 3.93Å; V762-F804 HydrophobicContact CG1-CZ 3.75Å; V762-F804 HydrophobicContact CG2-CE1 3.9Å
763S97.9Very high97.1Very high0 Ų023.8 Ų23.80%014%0.136CC..Hα-helixtrans-54.9-47.5173.6172.50000111.9S752 L756 M759 P760 R767S752-S763 WeakPolarHBondContact O-CB 3.47Å; S752-S763 PolarHBondContact O-OG 3.23Å; L756-S763 VanDerWaalsContact CA-OG 3.3Å; L756-S763 WeakPolarHBondContact CA-OG 3.25Å; L756-S763 WeakPolarHBondContact CB-OG 3.32Å; L756-S763 WeakPolarHBondContact CD1-OG 3.32Å; L756-S763 PolarHBondContact N-OG 3.46Å; M759-S763 WeakPolarHBondContact O-CB 3.38Å; M759-S763 PolarHBondContact O-N 3.42Å; P760-S763 WeakPolarHBondContact O-CB 3.24Å; S763-R767 PolarHBondContact O-N 3.1Å; S763-R767 PolarHBondContact O-NH1 3.38Å; S763-R767 PolarHBondContact OG-NH1 3.22Å
764Q96.6Very high96.4Very high70 Ų7028 Ų2833%0.32716%0.156SC..Hα-helixtrans-63.8-45.5174.4-174.660.143.200112P760 A761 V762 I766 R767 D768P760-Q764 PolarHBondContact O-N 2.96Å; A761-Q764 PolarHBondContact O-N 2.89Å; V762-Q764 VanDerWaalsContact C-N 3.34Å; V762-Q764 PolarHBondContact O-N 3.02Å; Q764-I766 VanDerWaalsContact C-N 3.31Å; Q764-I766 PolarHBondContact O-N 2.83Å; Q764-R767 WeakPolarHBondContact O-CB 3.27Å; Q764-R767 PolarHBondContact O-N 3.44Å; Q764-R767 VanDerWaalsContact O-N 3.08Å; Q764-D768 PolarHBondContact NE2-OD1 2.72Å; Q764-D768 PolarHBondContact NE2-OD2 3.37Å; Q764-D768 VanDerWaalsContact O-CG 3.31Å; Q764-D768 PolarHBondContact O-N 3.11Å
765T98.2Very high95.5Very high58 Ų5829.8 Ų29.836%0.35617%0.167SC..Hα-helixtrans-56.1-45.5178.4-59.40000111.4A761 V762 R767 D768 Q769 L803A761-T765 WeakPolarHBondContact O-CB 3.39Å; A761-T765 PolarHBondContact O-N 2.77Å; A761-T765 PolarHBondContact O-OG1 3.32Å; V762-T765 WeakPolarHBondContact O-CB 3.47Å; V762-T765 PolarHBondContact O-N 2.95Å; T765-R767 PolarHBondContact O-N 3.37Å; T765-D768 PolarHBondContact O-N 3.11Å; T765-Q769 HydrophobicContact CG2-CG 4.42Å; T765-Q769 VanDerWaalsContact O-CG 3.28Å; T765-Q769 WeakPolarHBondContact O-CG 3.45Å; T765-Q769 PolarHBondContact O-N 3.06Å; T765-L803 HydrophobicContact CG2-CD2 3.89Å
766I98.1Very high94.8Very high1 Ų129.7 Ų29.71%0.00517%0.166CC..Hα-helixtrans-61.3-46.1177.5-62.8156.5000110.3I653 L755 V762 Q764 D768 Q769 L770 L803I653-I766 HydrophobicContact CD1-CD1 3.68Å; I653-I766 HydrophobicContact CD1-CG1 4.28Å; I653-I766 HydrophobicContact CG2-CG1 4.32Å; I653-I766 HydrophobicContact CG2-CG2 4.05Å; L755-I766 HydrophobicContact CD2-CD1 4.18Å; V762-I766 HydrophobicContact CG1-CD1 3.88Å; V762-I766 HydrophobicContact CG1-CG1 4.4Å; V762-I766 WeakPolarHBondContact O-CD1 3.29Å; V762-I766 VanDerWaalsContact O-CG1 3.26Å; V762-I766 WeakPolarHBondContact O-CG1 3.29Å; V762-I766 PolarHBondContact O-N 3.29Å; Q764-I766 VanDerWaalsContact C-N 3.31Å; Q764-I766 PolarHBondContact O-N 2.83Å; I766-D768 VanDerWaalsContact C-N 3.33Å; I766-D768 PolarHBondContact O-N 2.93Å; I766-Q769 PolarHBondContact O-N 2.94Å; I766-L770 HydrophobicContact CG2-CD1 3.83Å; I766-L770 HydrophobicContact CG2-CG 4.24Å; I766-L770 WeakPolarHBondContact O-CB 3.49Å; I766-L770 VanDerWaalsContact O-CG 3.26Å; I766-L770 WeakPolarHBondContact O-CG 2.96Å; I766-L770 PolarHBondContact O-N 3.38Å; I766-L803 HydrophobicContact CD1-CD1 4.04Å; I766-L803 HydrophobicContact CG1-CD1 3.65Å; I766-L803 HydrophobicContact CG1-CD2 3.79Å; I766-L803 HydrophobicContact CG1-CG 4.4Å
767R95.8Very high93.8Very high9 Ų929.4 Ų29.43%0.03417%0.165CC..Hα-helixtrans-61-41.3178.5-73.4-168-63.3-84.4-1.2112.3S752 S763 Q764 T765 L770 N771 A772S752-R767 VanDerWaalsContact OG-CG 3.3Å; S752-R767 WeakPolarHBondContact OG-CG 3.44Å; S763-R767 PolarHBondContact O-N 3.1Å; S763-R767 PolarHBondContact O-NH1 3.38Å; S763-R767 PolarHBondContact OG-NH1 3.22Å; Q764-R767 WeakPolarHBondContact O-CB 3.27Å; Q764-R767 PolarHBondContact O-N 3.44Å; Q764-R767 VanDerWaalsContact O-N 3.08Å; T765-R767 PolarHBondContact O-N 3.37Å; R767-L770 CarbonylContact O-C 3.34Å; R767-L770 PolarHBondContact O-N 3.4Å; R767-N771 WeakPolarHBondContact O-CA 3.34Å; R767-N771 PolarHBondContact O-N 3.02Å; R767-A772 HydrophobicContact CB-CB 4.12Å; R767-A772 HydrophobicContact CG-CB 4.12Å; R767-A772 PolarHBondContact O-N 3Å
768D96.8Very high92.5Very high96 Ų9630.6 Ų30.651%0.51317%0.171SC..Hα-helixtrans-65.7-45.3178.1-65.4-23.3000111.2Q764 T765 I766 L770 N771Q764-D768 PolarHBondContact NE2-OD1 2.72Å; Q764-D768 PolarHBondContact NE2-OD2 3.37Å; Q764-D768 VanDerWaalsContact O-CG 3.31Å; Q764-D768 PolarHBondContact O-N 3.11Å; T765-D768 PolarHBondContact O-N 3.11Å; I766-D768 VanDerWaalsContact C-N 3.33Å; I766-D768 PolarHBondContact O-N 2.93Å; D768-L770 VanDerWaalsContact C-N 3.28Å; D768-L770 PolarHBondContact O-N 2.88Å; D768-N771 PolarHBondContact O-N 3.43Å; D768-N771 VanDerWaalsContact O-N 3.1Å
769Q97.9Very high91.6Very high14 Ų1431.1 Ų31.17%0.06518%0.175CC..Hα-helixtrans-62.2-35.4175.9-68.1-171.52300112.3T765 I766 N771 G798 T799 S801T765-Q769 HydrophobicContact CG2-CG 4.42Å; T765-Q769 VanDerWaalsContact O-CG 3.28Å; T765-Q769 WeakPolarHBondContact O-CG 3.45Å; T765-Q769 PolarHBondContact O-N 3.06Å; I766-Q769 PolarHBondContact O-N 2.94Å; Q769-N771 VanDerWaalsContact C-N 3.33Å; Q769-G798 CarbonylContact O-C 3.56Å; Q769-G798 VanDerWaalsContact O-CA 3.22Å; Q769-G798 WeakPolarHBondContact O-CA 3.29Å; Q769-G798 PolarHBondContact O-N 3.1Å; Q769-T799 WeakPolarHBondContact CG-O 3.4Å; Q769-S801 PolarHBondContact NE2-O 3.46Å; Q769-S801 PolarHBondContact NE2-OG 3.25Å; Q769-S801 PolarHBondContact OE1-O 3.06Å
770L97.2Very high91.1Very high4 Ų431.1 Ų31.12%0.02118%0.175CC..Hα-helixtrans-85.1-7.6177.3-62.9-174.6000113.4V745 A748 C749 I766 R767 D768 A772 L791 H795 I797V745-L770 HydrophobicContact CG2-CD1 4.35Å; V745-L770 HydrophobicContact CG2-CD2 3.41Å; V745-L770 VanDerWaalsContact CG2-CD2 3.41Å; V745-L770 HydrophobicContact CG2-CG 4.46Å; A748-L770 HydrophobicContact CB-CD1 4.07Å; C749-L770 HydrophobicContact CB-CD1 4.16Å; I766-L770 HydrophobicContact CG2-CD1 3.83Å; I766-L770 HydrophobicContact CG2-CG 4.24Å; I766-L770 WeakPolarHBondContact O-CB 3.49Å; I766-L770 VanDerWaalsContact O-CG 3.26Å; I766-L770 WeakPolarHBondContact O-CG 2.96Å; I766-L770 PolarHBondContact O-N 3.38Å; R767-L770 CarbonylContact O-C 3.34Å; R767-L770 PolarHBondContact O-N 3.4Å; D768-L770 VanDerWaalsContact C-N 3.28Å; D768-L770 PolarHBondContact O-N 2.88Å; L770-A772 HydrophobicContact CB-CB 4.41Å; L770-A772 PolarHBondContact O-N 3.12Å; L770-L791 HydrophobicContact CB-CD1 4.24Å; L770-L791 HydrophobicContact CD1-CD1 4.22Å; L770-H795 PolarHBondContact O-NE2 3.44Å; L770-I797 HydrophobicContact CD2-CG2 4.47Å
771N96.3Very high90.6Very high96 Ų9630.7 Ų30.751%0.51317%0.171SC..THydrogen-bonded Turntrans47.446.4-167.9-17332.4000111R767 D768 Q769 H795 R796R767-N771 WeakPolarHBondContact O-CA 3.34Å; R767-N771 PolarHBondContact O-N 3.02Å; D768-N771 PolarHBondContact O-N 3.43Å; D768-N771 VanDerWaalsContact O-N 3.1Å; Q769-N771 VanDerWaalsContact C-N 3.33Å; N771-H795 PolarHBondContact O-CE1 3.12Å; N771-H795 PolarHBondContact O-NE2 2.81Å; N771-H795 VanDerWaalsContact O-NE2 3.17Å; N771-R796 PolarHBondContact ND2-O 3.18Å; N771-R796 VanDerWaalsContact ND2-O 3.17Å
772A93.6Very high90.1Very high9 Ų931.9 Ų31.97%0.07417%0.17CC..  trans-69.2135.9-170.500000111.2R767 L770 Q774 L791R767-A772 HydrophobicContact CB-CB 4.12Å; R767-A772 HydrophobicContact CG-CB 4.12Å; R767-A772 PolarHBondContact O-N 3Å; L770-A772 HydrophobicContact CB-CB 4.41Å; L770-A772 PolarHBondContact O-N 3.12Å; A772-Q774 PolarHBondContact O-N 3.47Å; A772-L791 HydrophobicContact CB-CD2 4.46Å
773P89.4Confident89.4Confident42 Ų4233.2 Ų33.227%0.27319%0.187SC..  trans-59.7134.4175.2-22.432.3000111.5L243 T775 C776L243-P773 HydrophobicContact CD1-CB 4.24Å; L243-P773 HydrophobicContact CD1-CG 4.22Å; P773-T775 PolarHBondContact O-N 2.82Å; P773-T775 VanDerWaalsContact O-N 3.08Å; P773-C776 WeakPolarHBondContact O-CB 3.45Å; P773-C776 PolarHBondContact O-N 3.03Å; P773-C776 PolarHBondContact O-SG 2.87Å
774Q81.4Confident88.7Confident90 Ų9037.7 Ų37.742%0.42122%0.216SC..THydrogen-bonded Turntrans-58.2-27.5179.8-66.9-61.7-25.400113.3P249 A772 C776 I777P249-Q774 HydrophobicContact CG-CB 4.39Å; A772-Q774 PolarHBondContact O-N 3.47Å; Q774-C776 PolarHBondContact O-N 3.07Å; Q774-I777 PolarHBondContact O-N 2.98Å
775T80.5Confident88.2Confident36 Ų3634.5 Ų34.522%0.22120%0.202CC..Hα-helixtrans-65.9-16177.751.70000113.9P773 I777 N778 T779P773-T775 PolarHBondContact O-N 2.82Å; P773-T775 VanDerWaalsContact O-N 3.08Å; T775-I777 VanDerWaalsContact C-N 3.28Å; T775-I777 PolarHBondContact O-N 3.37Å; T775-N778 PolarHBondContact O-N 3.06Å; T775-T779 WeakPolarHBondContact O-CB 3.2Å; T775-T779 PolarHBondContact O-N 3.12Å; T775-T779 VanDerWaalsContact O-N 3.11Å; T775-T779 PolarHBondContact O-OG1 2.86Å
776C81.8Confident87.7Confident0 Ų033.8 Ų33.80%020%0.198CC..Hα-helixtrans-64.6-34.3178.674.40000112.3P773 Q774 T779 M780 A790P773-C776 WeakPolarHBondContact O-CB 3.45Å; P773-C776 PolarHBondContact O-N 3.03Å; P773-C776 PolarHBondContact O-SG 2.87Å; Q774-C776 PolarHBondContact O-N 3.07Å; C776-T779 PolarHBondContact O-N 2.88Å; C776-M780 WeakPolarHBondContact O-CB 3.46Å; C776-M780 WeakPolarHBondContact O-CG 3.23Å; C776-M780 PolarHBondContact O-N 3.41Å; C776-M780 VanDerWaalsContact O-N 3.14Å; C776-A790 HydrophobicContact CB-CB 4.08Å
777I77.4Confident87.5Confident22 Ų2234.2 Ų34.211%0.11320%0.199CC..Hα-helixtrans-59.5-51.2179.4-68.8168.5000110.1L299 V753 Q774 T775L299-I777 HydrophobicContact CD2-CG2 3.26Å; V753-I777 HydrophobicContact CG2-CG1 4.19Å; Q774-I777 PolarHBondContact O-N 2.98Å; T775-I777 VanDerWaalsContact C-N 3.28Å; T775-I777 PolarHBondContact O-N 3.37Å
778N72.1Confident87.3Confident26 Ų2634 Ų3414%0.13920%0.199CC..Hα-helixtrans-71.2-38-178-65.9-15.1000111.7T775 Q782T775-N778 PolarHBondContact O-N 3.06Å; N778-Q782 VanDerWaalsContact O-CB 3.23Å; N778-Q782 WeakPolarHBondContact O-CB 3.26Å; N778-Q782 WeakPolarHBondContact O-CG 3.3Å; N778-Q782 PolarHBondContact O-OE1 3.47Å
779T78.9Confident87.2Confident11 Ų1130 Ų307%0.06718%0.178CC..Hα-helixtrans-73.9-38.9-172.2-53.70000112.6L243 T775 C776 T786 V788L243-T779 HydrophobicContact CD2-CG2 4.19Å; T775-T779 WeakPolarHBondContact O-CB 3.2Å; T775-T779 PolarHBondContact O-N 3.12Å; T775-T779 VanDerWaalsContact O-N 3.11Å; T775-T779 PolarHBondContact O-OG1 2.86Å; C776-T779 PolarHBondContact O-N 2.88Å; T779-T786 PolarHBondContact O-OG1 3.02Å; T779-V788 HydrophobicContact CG2-CG2 4.13Å
780M88.1Confident86.9Confident0 Ų029.6 Ų29.60%018%0.177CC..Hα-helixtrans-81.5-30.4-167.4-71.8177.9169.400114.6L750 V753 C776 G785 T786 V788 A790L750-M780 HydrophobicContact CB-SD 4.03Å; L750-M780 HydrophobicContact CD1-CB 3.97Å; L750-M780 HydrophobicContact CD1-CG 4.24Å; L750-M780 HydrophobicContact CD1-SD 3.69Å; L750-M780 HydrophobicContact CG-SD 4.5Å; V753-M780 HydrophobicContact CG2-SD 4.45Å; C776-M780 WeakPolarHBondContact O-CB 3.46Å; C776-M780 WeakPolarHBondContact O-CG 3.23Å; C776-M780 PolarHBondContact O-N 3.41Å; C776-M780 VanDerWaalsContact O-N 3.14Å; M780-G785 CarbonylContact O-C 3.41Å; M780-G785 WeakPolarHBondContact O-CA 3.36Å; M780-T786 WeakPolarHBondContact CA-O 3.4Å; M780-T786 PolarHBondContact O-N 3.04Å; M780-V788 HydrophobicContact CE-CG2 3.8Å; M780-V788 VanDerWaalsContact CE-O 3.25Å; M780-V788 WeakPolarHBondContact CE-O 3.45Å; M780-V788 HydrophobicContact CG-CG2 4.13Å; M780-A790 HydrophobicContact CE-CB 3.62Å
781L88.8Confident86.8Confident0 Ų029.4 Ų29.40%018%0.176CC..Hα-helixtrans-105.7-13-177.2-76.8176.2000114.6L299 R300 L688 Y691 I692 V753L299-L781 HydrophobicContact CB-CB 4.26Å; L299-L781 HydrophobicContact CB-CD1 3.71Å; L299-L781 HydrophobicContact CD1-CD1 3.5Å; L299-L781 VanDerWaalsContact CD1-CD1 3.5Å; L299-L781 HydrophobicContact CD2-CD1 4.37Å; L299-L781 HydrophobicContact CG-CD1 4.05Å; R300-L781 WeakPolarHBondContact CD-O 3.44Å; R300-L781 PolarHBondContact NE-O 2.62Å; L688-L781 HydrophobicContact CD1-CD2 3.67Å; Y691-L781 HydrophobicContact CD1-CD2 4.18Å; Y691-L781 HydrophobicContact CE1-CD2 3.99Å; I692-L781 HydrophobicContact CD1-CD2 4Å; I692-L781 HydrophobicContact CG1-CD2 3.94Å; V753-L781 HydrophobicContact CG1-CD1 3.63Å; V753-L781 HydrophobicContact CG1-CG 4.01Å
782Q86Confident86.7Confident69 Ų6930.1 Ų30.132%0.32217%0.172SC..SBendtrans-69.4158.2174.8-74.7178.49.100112.5N778 G785N778-Q782 VanDerWaalsContact O-CB 3.23Å; N778-Q782 WeakPolarHBondContact O-CB 3.26Å; N778-Q782 WeakPolarHBondContact O-CG 3.3Å; N778-Q782 PolarHBondContact O-OE1 3.47Å; Q782-G785 PolarHBondContact O-N 2.67Å
783G84.4Confident86.9Confident44 Ų4432.5 Ų32.545%0.45419%0.191SC..THydrogen-bonded Turntrans57.7-133.9-178.500000111.7R300 G785R300-G783 PolarHBondContact NH2-O 2.78Å; G783-G785 PolarHBondContact O-N 3.37Å
784P83Confident87.2Confident95 Ų9533 Ų3362%0.61721%0.205SC*.THydrogen-bonded Turntrans-76.5-1.6176.732.8-35.4000114
785G85.5Confident87.9Confident3 Ų330.6 Ų30.63%0.03119%0.193CC..  trans77.7132.2-168.500000112.3M780 Q782 G783M780-G785 CarbonylContact O-C 3.41Å; M780-G785 WeakPolarHBondContact O-CA 3.36Å; Q782-G785 PolarHBondContact O-N 2.67Å; G783-G785 PolarHBondContact O-N 3.37Å
786T88.9Confident88.8Confident43 Ų4336.1 Ų36.126%0.26421%0.21SC..  trans-137.9129.4-179.157.10000111.1I238 T779 M780 V788I238-T786 HydrophobicContact CG2-CG2 4.28Å; T779-T786 PolarHBondContact O-OG1 3.02Å; M780-T786 WeakPolarHBondContact CA-O 3.4Å; M780-T786 PolarHBondContact O-N 3.04Å; T786-V788 PolarHBondContact O-N 3.48Å
787F93.4Very high89.5Confident9 Ų936.6 Ų36.64%0.03921%0.213CC..  trans-90.2103.9175.3-176.7-143.8000110.2W239 L681 V684 L688 I747 L750W239-F787 HydrophobicContact CE3-CD1 4.12Å; W239-F787 HydrophobicContact CE3-CE1 4.04Å; W239-F787 HydrophobicContact CE3-CG 4.42Å; W239-F787 HydrophobicContact CE3-CZ 4.27Å; W239-F787 HydrophobicContact CH2-CE1 4.24Å; W239-F787 HydrophobicContact CH2-CE2 4.49Å; W239-F787 AromaticContact CH2-CZ 3.94Å; W239-F787 HydrophobicContact CH2-CZ 3.94Å; W239-F787 AromaticContact CZ3-CD1 3.91Å; W239-F787 HydrophobicContact CZ3-CD1 3.91Å; W239-F787 HydrophobicContact CZ3-CD2 4.12Å; W239-F787 AromaticContact CZ3-CE1 3.42Å; W239-F787 HydrophobicContact CZ3-CE1 3.42Å; W239-F787 VanDerWaalsContact CZ3-CE1 3.42Å; W239-F787 AromaticContact CZ3-CE2 3.65Å; W239-F787 HydrophobicContact CZ3-CE2 3.65Å; W239-F787 HydrophobicContact CZ3-CG 4.26Å; W239-F787 AromaticContact CZ3-CZ 3.29Å; W239-F787 HydrophobicContact CZ3-CZ 3.29Å; L681-F787 HydrophobicContact CD2-CD1 3.98Å; L681-F787 HydrophobicContact CD2-CE1 3.49Å; L681-F787 VanDerWaalsContact CD2-CE1 3.49Å; L681-F787 HydrophobicContact CD2-CZ 4.42Å; V684-F787 HydrophobicContact CB-CD1 3.92Å; V684-F787 HydrophobicContact CB-CE1 3.94Å; V684-F787 HydrophobicContact CG1-CD1 3.54Å; V684-F787 HydrophobicContact CG1-CD2 4.48Å; V684-F787 HydrophobicContact CG1-CE1 3.56Å; V684-F787 HydrophobicContact CG1-CG 4.01Å; V684-F787 HydrophobicContact CG1-CZ 4.06Å; V684-F787 HydrophobicContact CG2-CE1 4.49Å; L688-F787 HydrophobicContact CD2-CB 4.44Å; I747-F787 HydrophobicContact CB-CZ 4.14Å; I747-F787 HydrophobicContact CG1-CE1 3.91Å; I747-F787 HydrophobicContact CG1-CZ 3.46Å; I747-F787 VanDerWaalsContact CG1-CZ 3.46Å; L750-F787 HydrophobicContact CB-CD2 3.9Å; L750-F787 HydrophobicContact CB-CE2 3.67Å; L750-F787 HydrophobicContact CD2-CB 4.37Å; L750-F787 HydrophobicContact CD2-CD2 3.53Å; L750-F787 HydrophobicContact CD2-CE2 3.86Å; L750-F787 HydrophobicContact CD2-CG 3.96Å; L750-F787 HydrophobicContact CG-CD2 4.16Å; L750-F787 HydrophobicContact CG-CE2 4.35Å
788V92.1Very high90.3Very high4 Ų436.9 Ų36.92%0.02422%0.221CC..  trans-112.1156.3-175.8-61.20000111.6I238 L243 T779 M780 T786 A790I238-V788 HydrophobicContact CG2-CG1 4.24Å; L243-V788 HydrophobicContact CD2-CG2 3.67Å; T779-V788 HydrophobicContact CG2-CG2 4.13Å; M780-V788 HydrophobicContact CE-CG2 3.8Å; M780-V788 VanDerWaalsContact CE-O 3.25Å; M780-V788 WeakPolarHBondContact CE-O 3.45Å; M780-V788 HydrophobicContact CG-CG2 4.13Å; T786-V788 PolarHBondContact O-N 3.48Å; V788-A790 VanDerWaalsContact C-N 3.32Å; V788-A790 PolarHBondContact O-N 3.26Å
789C93.9Very high91.3Very high12 Ų1241.8 Ų41.88%0.08125%0.252CS..  trans-73.781.3174.2-1770000111.4W239 M671W239-C789 HydrophobicContact CD2-CB 3.85Å; W239-C789 HydrophobicContact CE3-CB 4.33Å; W239-C789 HydrophobicContact CG-CB 4.24Å; W239-C789 HydrophobicContact CZ2-CB 4.04Å; W239-C789 VanDerWaalsContact O-CB 3.24Å; W239-C789 WeakPolarHBondContact O-CB 3.48Å; W239-C789 PolarHBondContact O-N 3.31Å; M671-C789 WeakPolarHBondContact CE-SG 3.41Å
790A92.4Very high92Very high6 Ų643 Ų435%0.0526%0.26CS..  trans-69.4-34.1-179.700000113.8L243 N746 C776 M780 V788L243-A790 HydrophobicContact CD1-CB 4.16Å; L243-A790 HydrophobicContact CD2-CB 4.12Å; N746-A790 PolarHBondContact OD1-N 3.25Å; C776-A790 HydrophobicContact CB-CB 4.08Å; M780-A790 HydrophobicContact CE-CB 3.62Å; V788-A790 VanDerWaalsContact C-N 3.32Å; V788-A790 PolarHBondContact O-N 3.26Å
791L94.9Very high92.3Very high0 Ų046 Ų460%028%0.28CS..SBendtrans-106.793.7-179.7-48.5-179.7000108.5V668 V745 N746 C749 L770 A772V668-L791 HydrophobicContact CG2-CB 4.16Å; V745-L791 HydrophobicContact CG1-CD1 4.23Å; V745-L791 HydrophobicContact CG2-CD1 3.92Å; N746-L791 PolarHBondContact ND2-O 2.77Å; N746-L791 PolarHBondContact OD1-N 3.1Å; C749-L791 HydrophobicContact CB-CD1 3.98Å; C749-L791 HydrophobicContact CB-CG 4.16Å; L770-L791 HydrophobicContact CB-CD1 4.24Å; L770-L791 HydrophobicContact CD1-CD1 4.22Å; A772-L791 HydrophobicContact CB-CD2 4.46Å
792R94.2Very high92.7Very high112 Ų11250.3 Ų50.342%0.42331%0.308SS..  trans-74.7162.6-177.9-69.9-168.1165.2-176.5-6112.7D242 V668 G794 H795D242-R792 IonicContact OD1-CZ 2.98Å; D242-R792 IonicContact OD1-NH1 2.69Å; D242-R792 PolarHBondContact OD1-NH1 2.98Å; D242-R792 IonicContact OD1-NH2 2.6Å; D242-R792 PolarHBondContact OD1-NH2 2.91Å; V668-R792 WeakPolarHBondContact CB-O 3.36Å; R792-G794 PolarHBondContact O-N 2.85Å; R792-H795 WeakPolarHBondContact O-CB 3.36Å; R792-H795 PolarHBondContact O-N 2.91Å
793A96.6Very high93.1Very high58 Ų5848.3 Ų48.348%0.47930%0.299SS..THydrogen-bonded Turntrans-51.9131.4170.100000110.6V668 A670 H795V668-A793 CarbonylContact O-C 3.32Å; V668-A793 WeakPolarHBondContact O-CA 3.41Å; A670-A793 HydrophobicContact CB-CB 4.39Å; A793-H795 VanDerWaalsContact C-N 3.34Å
794G96.4Very high93.7Very high54 Ų5446.6 Ų46.656%0.55728%0.28SS*.THydrogen-bonded Turntrans87.8-12-174.300000115.1V668 R792 R796V668-G794 PolarHBondContact O-N 3.4Å; R792-G794 PolarHBondContact O-N 2.85Å; G794-R796 PolarHBondContact O-N 3.11Å
795H97.1Very high94.4Very high39 Ų3949 Ų4918%0.18128%0.283CS..PPolyproline II helixtrans-58.9130.9172.7178.273.4000110.5C667 V668 L770 N771 R792 A793C667-H795 CarbonylContact C-O 3.55Å; C667-H795 VanDerWaalsContact CA-O 3.32Å; C667-H795 WeakPolarHBondContact CA-O 3.35Å; V668-H795 HydrophobicContact CB-CB 4.32Å; V668-H795 HydrophobicContact CG2-CB 4.07Å; V668-H795 PolarHBondContact N-O 3.15Å; L770-H795 PolarHBondContact O-NE2 3.44Å; N771-H795 PolarHBondContact O-CE1 3.12Å; N771-H795 PolarHBondContact O-NE2 2.81Å; N771-H795 VanDerWaalsContact O-NE2 3.17Å; R792-H795 WeakPolarHBondContact O-CB 3.36Å; R792-H795 PolarHBondContact O-N 2.91Å; A793-H795 VanDerWaalsContact C-N 3.34Å
796R97.8Very high94.9Very high151 Ų15153.9 Ų53.957%0.5730%0.303SS*.BIsolated β-bridgetrans-96.2117.2179.3-176.1173.3-69.5-750.3110.4G665 G666 C667 N771 G794G665-R796 PolarHBondContact O-NH1 2.72Å; G666-R796 WeakPolarHBondContact O-CA 3.39Å; C667-R796 VanDerWaalsContact SG-CZ 3.55Å; C667-R796 PolarHBondContact SG-NH2 3.36Å; N771-R796 PolarHBondContact ND2-O 3.18Å; N771-R796 VanDerWaalsContact ND2-O 3.17Å; G794-R796 PolarHBondContact O-N 3.11Å
797I97.3Very high95.3Very high11 Ų1152.5 Ų52.56%0.05629%0.294CS..PPolyproline II helixtrans-78163.517468.1165.8000111.1V660 G666 V668 L770 V800V660-I797 HydrophobicContact CB-CD1 3.66Å; V660-I797 HydrophobicContact CB-CG1 4.42Å; V660-I797 HydrophobicContact CG1-CD1 3.56Å; V660-I797 HydrophobicContact CG1-CG1 3.76Å; V660-I797 HydrophobicContact CG1-CG2 4.32Å; V660-I797 HydrophobicContact CG2-CD1 4.5Å; G666-I797 WeakPolarHBondContact O-CG1 3.42Å; G666-I797 PolarHBondContact O-N 2.94Å; V668-I797 HydrophobicContact CG2-CG2 4.1Å; L770-I797 HydrophobicContact CD2-CG2 4.47Å; I797-V800 HydrophobicContact CD1-CG1 3.96Å
798G95.1Very high95.4Very high28 Ų2856.3 Ų56.329%0.28931%0.312SS..  trans-79.9-157173.900000113Q769Q769-G798 CarbonylContact O-C 3.56Å; Q769-G798 VanDerWaalsContact O-CA 3.22Å; Q769-G798 WeakPolarHBondContact O-CA 3.29Å; Q769-G798 PolarHBondContact O-N 3.1Å
799T93Very high95.5Very high128 Ų12859.6 Ų59.679%0.78534%0.34SS*.  trans-88.3124.5177.6-57.90000109.9Q769Q769-T799 WeakPolarHBondContact CG-O 3.4Å
800V94.2Very high95.6Very high38 Ų3865.8 Ų65.823%0.2337%0.372CS..  trans-86.1139.5179.9-61.90000111.5I797I797-V800 HydrophobicContact CD1-CG1 3.96Å
801S93.8Very high95.7Very high61 Ų6168.9 Ų68.943%0.42739%0.385SS..  trans-144.6150.617670.60000111.2N654 Q769 L803N654-S801 PolarHBondContact OD1-O 3.32Å; Q769-S801 PolarHBondContact NE2-O 3.46Å; Q769-S801 PolarHBondContact NE2-OG 3.25Å; Q769-S801 PolarHBondContact OE1-O 3.06Å; S801-L803 PolarHBondContact O-N 3.41Å
802P95.9Very high95.8Very high92 Ų9269.3 Ų69.360%0.59739%0.388SS*.  trans-53.7125.3178.3-25.934.8000112.6
803L96.1Very high95.9Very high26 Ų2669.5 Ų69.514%0.13639%0.393CS..  trans-74.4-35.7-177.1-64.2174.1000114.4I653 N654 T765 I766 S801I653-L803 HydrophobicContact CB-CD1 3.86Å; I653-L803 HydrophobicContact CD1-CD1 3.94Å; I653-L803 HydrophobicContact CG2-CD1 3.69Å; N654-L803 PolarHBondContact OD1-N 2.94Å; T765-L803 HydrophobicContact CG2-CD2 3.89Å; I766-L803 HydrophobicContact CD1-CD1 4.04Å; I766-L803 HydrophobicContact CG1-CD1 3.65Å; I766-L803 HydrophobicContact CG1-CD2 3.79Å; I766-L803 HydrophobicContact CG1-CG 4.4Å; S801-L803 PolarHBondContact O-N 3.41Å
804F97.3Very high95.9Very high9 Ų969.7 Ų69.74%0.03940%0.395CS..  trans-126.6149.1-172.7-54.2-67.3000111L645 L646 L649 M759 V762L645-F804 HydrophobicContact CB-CD1 4.07Å; L645-F804 HydrophobicContact CB-CD2 3.89Å; L645-F804 HydrophobicContact CB-CE1 4.23Å; L645-F804 HydrophobicContact CB-CE2 4.06Å; L645-F804 HydrophobicContact CB-CG 3.89Å; L645-F804 HydrophobicContact CB-CZ 4.22Å; L645-F804 HydrophobicContact CD1-CD1 4.25Å; L645-F804 HydrophobicContact CD1-CE1 4.21Å; L645-F804 HydrophobicContact CD2-CE1 4.24Å; L645-F804 HydrophobicContact CD2-CE2 4.43Å; L645-F804 HydrophobicContact CD2-CZ 3.99Å; L645-F804 HydrophobicContact CG-CE1 4.48Å; L645-F804 WeakPolarHBondContact O-CD2 3.25Å; L645-F804 WeakPolarHBondContact O-CE2 3.43Å; L646-F804 HydrophobicContact CD1-CB 4.26Å; L646-F804 WeakPolarHBondContact CD1-O 3.49Å; L649-F804 HydrophobicContact CB-CE2 4.45Å; L649-F804 HydrophobicContact CD2-CE2 4.25Å; L649-F804 HydrophobicContact CD2-CZ 4.13Å; L649-F804 HydrophobicContact CG-CE2 4.28Å; M759-F804 HydrophobicContact CE-CE1 3.55Å; M759-F804 HydrophobicContact CE-CZ 4.16Å; V762-F804 HydrophobicContact CG1-CE1 3.93Å; V762-F804 HydrophobicContact CG1-CZ 3.75Å; V762-F804 HydrophobicContact CG2-CE1 3.9Å
805Q96.5Very high95.9Very high146 Ų14667.8 Ų67.868%0.68237%0.372SS*.  trans-104.8149.8171.7-63.3-62.5-2500109.6N641N641-Q805 PolarHBondContact ND2-O 3.35Å
806K96.8Very high95.8Very high105 Ų10569.5 Ų69.546%0.45738%0.379SS..  trans-69.2137.3173.7-173.6170.9167.4-1190109.5L646 E808L646-K806 HydrophobicContact CD2-CB 3.81Å; L646-K806 HydrophobicContact CD2-CG 4.24Å; K806-E808 WeakPolarHBondContact CD-OE1 3.36Å; K806-E808 VanDerWaalsContact NZ-CD 3.34Å; K806-E808 IonicContact NZ-OE1 3.94Å; K806-E808 PolarHBondContact NZ-OE1 3.34Å; K806-E808 VanDerWaalsContact NZ-OE1 3.13Å; K806-E808 IonicContact NZ-OE2 2.72Å; K806-E808 PolarHBondContact NZ-OE2 2.98Å
807L96.9Very high95.7Very high14 Ų1470.4 Ų70.47%0.07339%0.387CS..  trans-87.4114.6167.6-68.7-179.8000108.2I611 V615 A638 N641 N642 I812I611-L807 HydrophobicContact CD1-CD1 4.47Å; I611-L807 HydrophobicContact CD1-CD2 4.1Å; I611-L807 HydrophobicContact CG1-CD2 4.01Å; V615-L807 HydrophobicContact CG1-CD1 4.4Å; A638-L807 HydrophobicContact CB-CB 4.25Å; N641-L807 HydrophobicContact CB-CD1 3.63Å; N641-L807 HydrophobicContact CB-CG 4.11Å; N642-L807 PolarHBondContact ND2-O 3.14Å; N642-L807 PolarHBondContact OD1-N 3.44Å; L807-I812 HydrophobicContact CB-CD1 4.09Å; L807-I812 HydrophobicContact CB-CG1 4.16Å; L807-I812 HydrophobicContact CD1-CD1 4.12Å; L807-I812 HydrophobicContact CG-CD1 4.49Å
808E96Very high95.6Very high88 Ų8876 Ų7641%0.41141%0.407SS..  trans-81.8145.3-176.7-63.9-58.4159.200111.9K806 D810 Q811 I812K806-E808 WeakPolarHBondContact CD-OE1 3.36Å; K806-E808 VanDerWaalsContact NZ-CD 3.34Å; K806-E808 IonicContact NZ-OE1 3.94Å; K806-E808 PolarHBondContact NZ-OE1 3.34Å; K806-E808 VanDerWaalsContact NZ-OE1 3.13Å; K806-E808 IonicContact NZ-OE2 2.72Å; K806-E808 PolarHBondContact NZ-OE2 2.98Å; E808-D810 VanDerWaalsContact C-N 3.31Å; E808-D810 PolarHBondContact O-N 2.86Å; E808-Q811 HydrophobicContact CB-CB 4.49Å; E808-Q811 WeakPolarHBondContact O-CB 3.26Å; E808-Q811 PolarHBondContact O-N 3.42Å; E808-I812 VanDerWaalsContact O-CG1 3.29Å; E808-I812 WeakPolarHBondContact O-CG1 3.3Å; E808-I812 PolarHBondContact O-N 3.16Å
809A93.9Very high95.6Very high74 Ų7475 Ų7561%0.61240%0.395SS*.Hα-helixtrans-58-42.9-175.500000112.2Q811 I812 E813A809-Q811 PolarHBondContact O-N 3.39Å; A809-I812 PolarHBondContact O-N 3.43Å; A809-E813 PolarHBondContact O-N 2.76Å
810D95.1Very high95.5Very high142 Ų14271.1 Ų71.176%0.75938%0.38SS*.Hα-helixtrans-65.5-39.4-179.4-62.3-18.4000112.3E808 I812 A814E808-D810 VanDerWaalsContact C-N 3.31Å; E808-D810 PolarHBondContact O-N 2.86Å; D810-I812 VanDerWaalsContact C-N 3.32Å; D810-I812 PolarHBondContact O-N 2.91Å; D810-A814 WeakPolarHBondContact O-CB 3.21Å; D810-A814 PolarHBondContact O-N 3.46Å
811Q95.6Very high95.1Very high71 Ų7170.4 Ų70.433%0.33238%0.381SS..Hα-helixtrans-61.8-44.2174.6-178.3-172.712.300110.4E808 A809 A814 L815E808-Q811 HydrophobicContact CB-CB 4.49Å; E808-Q811 WeakPolarHBondContact O-CB 3.26Å; E808-Q811 PolarHBondContact O-N 3.42Å; A809-Q811 PolarHBondContact O-N 3.39Å; Q811-A814 PolarHBondContact O-N 2.83Å; Q811-L815 HydrophobicContact CG-CD1 4.12Å; Q811-L815 VanDerWaalsContact O-CG 3.28Å; Q811-L815 WeakPolarHBondContact O-CG 3.35Å; Q811-L815 PolarHBondContact O-N 3.19Å
812I96.4Very high94Very high9 Ų976.2 Ų76.25%0.04640%0.401CS..Hα-helixtrans-70.2-40.8-176.4-66.4-70.4000111.4W634 A638 L807 E808 A809 D810 L815 K816W634-I812 HydrophobicContact CB-CG2 3.83Å; W634-I812 HydrophobicContact CE3-CD1 3.9Å; W634-I812 HydrophobicContact CE3-CG2 4.43Å; W634-I812 HydrophobicContact CZ3-CD1 4.25Å; W634-I812 WeakPolarHBondContact O-CG2 3.47Å; A638-I812 HydrophobicContact CB-CD1 4.04Å; A638-I812 HydrophobicContact CB-CG1 3.79Å; A638-I812 HydrophobicContact CB-CG2 4.22Å; L807-I812 HydrophobicContact CB-CD1 4.09Å; L807-I812 HydrophobicContact CB-CG1 4.16Å; L807-I812 HydrophobicContact CD1-CD1 4.12Å; L807-I812 HydrophobicContact CG-CD1 4.49Å; E808-I812 VanDerWaalsContact O-CG1 3.29Å; E808-I812 WeakPolarHBondContact O-CG1 3.3Å; E808-I812 PolarHBondContact O-N 3.16Å; A809-I812 PolarHBondContact O-N 3.43Å; D810-I812 VanDerWaalsContact C-N 3.32Å; D810-I812 PolarHBondContact O-N 2.91Å; I812-L815 PolarHBondContact O-N 2.78Å; I812-K816 WeakPolarHBondContact O-CB 3.49Å; I812-K816 PolarHBondContact O-N 3.21Å
813E95.6Very high91.5Very high116 Ų11680.2 Ų80.254%0.54241%0.412SS..Hα-helixtrans-65.6-40175.8-170.357.8-150.400111.5A809 L815 K816 K817A809-E813 PolarHBondContact O-N 2.76Å; E813-L815 PolarHBondContact O-N 2.83Å; E813-K816 PolarHBondContact O-N 3.37Å; E813-K817 WeakPolarHBondContact O-CB 3.48Å; E813-K817 PolarHBondContact O-N 3.25Å
814A96.3Very high88.6Confident62 Ų6284.9 Ų84.951%0.51244%0.444SS..Hα-helixtrans-61.5-42.8174.600000112.2D810 Q811 R818D810-A814 WeakPolarHBondContact O-CB 3.21Å; D810-A814 PolarHBondContact O-N 3.46Å; Q811-A814 PolarHBondContact O-N 2.83Å; A814-R818 WeakPolarHBondContact O-CB 3.38Å; A814-R818 PolarHBondContact O-N 3.41Å
815L96.4Very high85.5Confident13 Ų1393 Ų937%0.06848%0.482CS..Hα-helixtrans-67.7-43.7175.9-68.6170000111.6T609 I611 W634 Q811 I812 E813 K817 R818 F819T609-L815 HydrophobicContact CG2-CD2 3.91Å; I611-L815 HydrophobicContact CD1-CD1 3.86Å; I611-L815 HydrophobicContact CG1-CD1 4.47Å; W634-L815 HydrophobicContact CD2-CB 4.25Å; W634-L815 HydrophobicContact CE3-CB 4.08Å; W634-L815 HydrophobicContact CE3-CD1 4.4Å; W634-L815 HydrophobicContact CH2-CB 3.6Å; W634-L815 HydrophobicContact CH2-CD1 3.74Å; W634-L815 HydrophobicContact CH2-CD2 4.46Å; W634-L815 HydrophobicContact CH2-CG 4.13Å; W634-L815 HydrophobicContact CZ2-CB 3.8Å; W634-L815 HydrophobicContact CZ3-CB 3.76Å; W634-L815 HydrophobicContact CZ3-CD1 3.55Å; W634-L815 HydrophobicContact CZ3-CG 4.26Å; Q811-L815 HydrophobicContact CG-CD1 4.12Å; Q811-L815 VanDerWaalsContact O-CG 3.28Å; Q811-L815 WeakPolarHBondContact O-CG 3.35Å; Q811-L815 PolarHBondContact O-N 3.19Å; I812-L815 PolarHBondContact O-N 2.78Å; E813-L815 PolarHBondContact O-N 2.83Å; L815-K817 VanDerWaalsContact C-N 3.32Å; L815-K817 PolarHBondContact O-N 3.43Å; L815-R818 WeakPolarHBondContact O-CB 3.32Å; L815-R818 PolarHBondContact O-N 2.93Å; L815-R818 VanDerWaalsContact O-N 3.12Å; L815-F819 HydrophobicContact CD2-CE2 4.03Å; L815-F819 WeakPolarHBondContact O-CD2 3.39Å; L815-F819 PolarHBondContact O-N 2.95Å
816K95.7Very high82.4Confident76 Ų7693.8 Ų93.833%0.3349%0.491SS..Hα-helixtrans-56.4-46.6175.7-174.6-179.9-177.3-176.20111.5W634 I812 E813 F819 G820W634-K816 HydrophobicContact CB-CB 4.09Å; W634-K816 HydrophobicContact CB-CD 4.47Å; W634-K816 HydrophobicContact CB-CG 4.36Å; W634-K816 HydrophobicContact CG-CB 3.91Å; W634-K816 HydrophobicContact CG-CG 4.33Å; I812-K816 WeakPolarHBondContact O-CB 3.49Å; I812-K816 PolarHBondContact O-N 3.21Å; E813-K816 PolarHBondContact O-N 3.37Å; K816-F819 PolarHBondContact O-N 3.07Å; K816-G820 PolarHBondContact O-N 2.93Å
817K95.4Very high78.9Confident169 Ų16997.4 Ų97.474%0.73551%0.509SS*.Hα-helixtrans-62-44.2175-173.1177.2-179.7178.90111.9E813 L815 F819 G820E813-K817 WeakPolarHBondContact O-CB 3.48Å; E813-K817 PolarHBondContact O-N 3.25Å; L815-K817 VanDerWaalsContact C-N 3.32Å; L815-K817 PolarHBondContact O-N 3.43Å; K817-F819 VanDerWaalsContact C-N 3.25Å; K817-F819 PolarHBondContact O-N 3.06Å; K817-G820 PolarHBondContact O-N 3.08Å
818R94.9Very high75.7Confident130 Ų130102.7 Ų102.749%0.49154%0.544SS..Hα-helixtrans-57.6-36.6178.8178.4179.1175.8-174.8-2.8112.8D608 A814 L815D608-R818 PolarHBondContact O-NH1 3.01Å; A814-R818 WeakPolarHBondContact O-CB 3.38Å; A814-R818 PolarHBondContact O-N 3.41Å; L815-R818 WeakPolarHBondContact O-CB 3.32Å; L815-R818 PolarHBondContact O-N 2.93Å; L815-R818 VanDerWaalsContact O-N 3.12Å
819F95.3Very high72.5Confident5 Ų5103.7 Ų103.72%0.02256%0.561CS.*THydrogen-bonded Turntrans-1099.6-174.8-60.6-67.7000113.7Y588 G600 V601 M605 T609 W634 L815 K816 K817 G821Y588-F819 VanDerWaalsContact CE1-O 3.24Å; Y588-F819 WeakPolarHBondContact CE1-O 3.23Å; Y588-F819 WeakPolarHBondContact OH-CB 3.4Å; Y588-F819 PolarHBondContact OH-O 3.2Å; G600-F819 PolarHBondContact N-O 3.34Å; V601-F819 HydrophobicContact CG2-CB 4.14Å; V601-F819 HydrophobicContact CG2-CD1 4.15Å; V601-F819 HydrophobicContact CG2-CD2 3.79Å; V601-F819 HydrophobicContact CG2-CE2 4.19Å; V601-F819 HydrophobicContact CG2-CG 3.77Å; M605-F819 HydrophobicContact CB-CE1 3.81Å; M605-F819 HydrophobicContact CB-CZ 4.13Å; M605-F819 HydrophobicContact CG-CE1 4.32Å; M605-F819 HydrophobicContact SD-CD1 4.26Å; M605-F819 HydrophobicContact SD-CE1 3.74Å; T609-F819 HydrophobicContact CG2-CE2 3.86Å; T609-F819 HydrophobicContact CG2-CZ 4.01Å; W634-F819 HydrophobicContact CH2-CD2 4.41Å; W634-F819 HydrophobicContact CH2-CE2 4.42Å; W634-F819 AromaticContact CZ2-CD2 3.55Å; W634-F819 HydrophobicContact CZ2-CD2 3.55Å; W634-F819 AromaticContact CZ2-CE2 3.97Å; W634-F819 HydrophobicContact CZ2-CE2 3.97Å; L815-F819 HydrophobicContact CD2-CE2 4.03Å; L815-F819 WeakPolarHBondContact O-CD2 3.39Å; L815-F819 PolarHBondContact O-N 2.95Å; K816-F819 PolarHBondContact O-N 3.07Å; K817-F819 VanDerWaalsContact C-N 3.25Å; K817-F819 PolarHBondContact O-N 3.06Å; F819-G821 VanDerWaalsContact C-N 3.3Å; F819-G821 PolarHBondContact O-N 3.04Å
820G90.4Very high69.4Low47 Ų47107.9 Ų107.949%0.48557%0.573SS.*BIsolated β-bridgetrans-80.2-4.8179.800000114.8K816 K817K816-G820 PolarHBondContact O-N 2.93Å; K817-G820 PolarHBondContact O-N 3.08Å
821G87.1Confident66.1Low23 Ų23110.1 Ų110.124%0.23758%0.576CS.*  trans90.4167.7-171.700000113.4R597 G598 F819 Q823R597-G821 WeakPolarHBondContact O-CA 3.32Å; G598-G821 WeakPolarHBondContact O-CA 3.49Å; G598-G821 PolarHBondContact O-N 3.11Å; F819-G821 VanDerWaalsContact C-N 3.3Å; F819-G821 PolarHBondContact O-N 3.04Å; G821-Q823 PolarHBondContact O-N 3.26Å
822Q71.4Confident62.8Low183 Ų183116.1 Ų116.186%0.85560%0.601SS**  trans-72.1122.5170-68.4178.9-1400108.3
823Q42Very low59.3Low176 Ų176123.4 Ų123.482%0.82264%0.639SS**  trans-59.1136.9161.9-73.4-174.9-28.200107.1G821 E825G821-Q823 PolarHBondContact O-N 3.26Å; Q823-E825 PolarHBondContact O-N 3.23Å
824P35.8Very low56Low125 Ų125124.1 Ų124.181%0.81265%0.651SS**  trans-60.2107.8166.324.2-28.1000106.7D826P824-D826 PolarHBondContact O-N 3.3Å
825E31.6Very low52.5Low178 Ų178126 Ų12683%0.83267%0.666SS**  trans-56.9131.1154.4-70.3-175.4164.500105.8Q823 E827Q823-E825 PolarHBondContact O-N 3.23Å; E825-E827 PolarHBondContact O-N 3.44Å
826D31.6Very low49.1Very low163 Ų163130.5 Ų130.587%0.87270%0.699SS**  trans-48109.4173.8-78.3-47.3000108.6P824P824-D826 PolarHBondContact O-N 3.3Å
827E23.8Very low45.6Very low182 Ų182133 Ų13385%0.8572%0.721SS**  trans-55126.4170.6-82.7-164.4157.400107.6E825 S829E825-E827 PolarHBondContact O-N 3.44Å; E827-S829 PolarHBondContact O-N 2.93Å
828P30.3Very low42.3Very low124 Ų124133.7 Ų133.781%0.80573%0.727SS**  trans-61.5115.5170.924.5-29.6000107.2N830P828-N830 PolarHBondContact O-N 3.33Å; P828-N830 VanDerWaalsContact O-N 3.16Å
829S28.7Very low39.1Very low110 Ų110132.8 Ų132.877%0.76974%0.738SS**  trans-38.3121.9178.153.10000112.5E827 K831E827-S829 PolarHBondContact O-N 2.93Å; S829-K831 PolarHBondContact O-N 3.4Å
830N27.3Very low35.7Very low162 Ų162137.3 Ų137.387%0.86678%0.776SS**  trans-3593.9173-137.9-14.6000112.9P828 K832P828-N830 PolarHBondContact O-N 3.33Å; P828-N830 VanDerWaalsContact O-N 3.16Å; N830-K832 PolarHBondContact O-N 3.08Å
831K26.5Very low32.5Very low189 Ų189140 Ų14082%0.82279%0.793SS**  trans-78.9107.6162.2-87.2-174.5178.7176.90108.2S829 I833S829-K831 PolarHBondContact O-N 3.4Å; K831-I833 PolarHBondContact O-N 3Å; K831-I833 VanDerWaalsContact O-N 3.17Å
832K26.5Very low29.7Very low196 Ų196145.4 Ų145.485%0.85282%0.822SS**  trans-45.7116.8164.5-76.5177.3174.4177.70110.2N830N830-K832 PolarHBondContact O-N 3.08Å
833I23.7Very low27.7Very low163 Ų163142.8 Ų142.884%0.83682%0.82SS**  trans-94.2100.5163.4-61.7176.5000106.8K831K831-I833 PolarHBondContact O-N 3Å; K831-I833 VanDerWaalsContact O-N 3.17Å
834T24.5Very low26.8Very low131 Ų131138.8 Ų138.880%0.80482%0.818SS**  trans-81.9122.9156.637.20000108.3
835A24.4Very low27.3Very low100 Ų100138.4 Ų138.483%0.82682%0.815SS**  trans-77.3130.4173.700000111.2
836S23.7Very low27.2Very low108 Ų108135.4 Ų135.476%0.75581%0.811SS**  trans-150.9105.5151.867.30000110.7
837T23.3Very low26.9Very low129 Ų129134 Ų13479%0.79181%0.808SS**  trans21.9130.1141.939.70000123.1
838Q25.2Very low26.9Very low184 Ų184131.6 Ų131.686%0.8681%0.805SS**  trans99.6153.3134.4-92-16718.400120.8
839P28.9Very low26.6Very low111 Ų111129.7 Ų129.772%0.72180%0.8SS**  -128.3166.8-107.640.2-23.4000117.8
840A23.7Very low26.3Very low99 Ų99133.4 Ų133.482%0.81881%0.806SS**  trans54.1120.2148.400000122.5
841A22.6Very low26.1Very low103 Ų103132 Ų13285%0.85180%0.803SS**  -178147.1127.700000112.7
842V28.5Very low26Very low138 Ų138132.8 Ų132.884%0.83681%0.806SS**  trans-121.5142.2173.7178.80000105.2
843P29.6Very low26.1Very low127 Ų127129 Ų12983%0.82580%0.799SS**  -152.4175.664.135.3-9.7000118.7
844A22.9Very low26.6Very low93 Ų93128.1 Ų128.177%0.76980%0.801SS**  trans-85.9-163.9-174.400000115
845P46.1Very low27.6Very low116 Ų116128 Ų12875%0.75380%0.795SS**  -118.4174.2-71.839-23.7000112.3
846P30.5Very low28.6Very low115 Ų115126.8 Ų126.875%0.74779%0.793SS**  -155141.788.438.2-16.1000116.3
847V23.5Very low29.9Very low133 Ų133124.9 Ų124.981%0.80678%0.779SS**  85.6125104.7-174.40000117.9
848V24.8Very low32.1Very low132 Ų132122.9 Ų122.980%0.876%0.764SS**  trans75.8133.6163.8-130.20000124.2
849A23.5Very low34.3Very low85 Ų85118.7 Ų118.770%0.70275%0.753SS**  trans79.6130.4152.600000116.3
850E22Very low36.5Very low188 Ų188119 Ų11988%0.87974%0.744SS**  cis-160.5137.712.1-111.2168.3-173.300106.5
851V24.5Very low39.1Very low133 Ų133119.8 Ų119.881%0.80673%0.729SS**  trans-89.6118.81741780000108.7V853V851-V853 HydrophobicContact CG1-CG2 3.81Å
852K23.8Very low41.9Very low204 Ų204115.5 Ų115.589%0.88769%0.694SS**  trans-97.5106.5158.5-95.4-176.7176.11770108.9
853V29.2Very low44.5Very low116 Ų116114.7 Ų114.770%0.70368%0.679SS**  trans-78.8133162.1-178.90000107.5V851V851-V853 HydrophobicContact CG1-CG2 3.81Å
854V33.1Very low47.2Very low145 Ų145114.3 Ų114.388%0.87967%0.666SS**  trans-105.1107.8157.7-178.10000106.6
855D44.9Very low50.3Low128 Ų128110.8 Ų110.868%0.68464%0.635SS**  trans-74.9151.3176.5-156.8-6.8000110.2
856G46.7Very low52.3Low75 Ų75107.2 Ų107.277%0.77362%0.615SS**  trans-153.116.8-172.700000115.7
857S51.3Low55Low68 Ų68107 Ų10748%0.47660%0.604SS.*  trans-119126.1166.359.80000108.9P859S857-P859 WeakPolarHBondContact O-CD 3.47Å
858D68.4Low58.1Low87 Ų87102.3 Ų102.347%0.46558%0.579SS.*  trans-9991.4171-176.6-12.3000108.3E860 K861 A862D858-E860 PolarHBondContact O-N 3.33Å; D858-E860 PolarHBondContact OD1-N 3.4Å; D858-K861 HydrophobicContact CB-CB 3.95Å; D858-K861 VanDerWaalsContact CG-CB 3.47Å; D858-K861 PolarHBondContact O-N 2.96Å; D858-K861 PolarHBondContact OD1-N 2.99Å; D858-K861 WeakPolarHBondContact OD2-CB 3.01Å; D858-A862 PolarHBondContact O-N 3.16Å
859P70.9Confident61.3Low97 Ų9796.9 Ų96.963%0.6355%0.546SS*.Hα-helixtrans-64.3-26.9-173.923.1-33000113.1S857 K863S857-P859 WeakPolarHBondContact O-CD 3.47Å; P859-K863 PolarHBondContact O-N 2.94Å; P859-K863 VanDerWaalsContact O-N 3.1Å
860E75.4Confident64.4Low116 Ų11695.3 Ų95.354%0.54253%0.533SS..Hα-helixtrans-72.6-40.7178.6-160.464.7-154.900110.5D858 K863 Q864D858-E860 PolarHBondContact O-N 3.33Å; D858-E860 PolarHBondContact OD1-N 3.4Å; E860-K863 PolarHBondContact O-N 3.14Å; E860-Q864 WeakPolarHBondContact O-CG 3.34Å; E860-Q864 PolarHBondContact O-N 3.44Å; E860-Q864 VanDerWaalsContact O-N 3.11Å
861K78.8Confident67.7Low116 Ų11693.4 Ų93.450%0.50452%0.524SS..Hα-helixtrans-68.3-37.2175-169.5174.6-177.6177.60112.7D858 K863 L865D858-K861 HydrophobicContact CB-CB 3.95Å; D858-K861 VanDerWaalsContact CG-CB 3.47Å; D858-K861 PolarHBondContact O-N 2.96Å; D858-K861 PolarHBondContact OD1-N 2.99Å; D858-K861 WeakPolarHBondContact OD2-CB 3.01Å; K861-K863 VanDerWaalsContact C-N 3.34Å; K861-L865 HydrophobicContact CG-CD1 4.05Å; K861-L865 WeakPolarHBondContact O-CB 3.06Å; K861-L865 WeakPolarHBondContact O-CD1 3.48Å; K861-L865 VanDerWaalsContact O-CG 3.32Å; K861-L865 WeakPolarHBondContact O-CG 3.43Å; K861-L865 PolarHBondContact O-N 3.09Å
862A81Confident70.9Confident13 Ų1388.2 Ų88.211%0.10749%0.491CS..Hα-helixtrans-63-41.1174.100000111.5D858 L865 A866 L903 A906 E907D858-A862 PolarHBondContact O-N 3.16Å; A862-L865 PolarHBondContact O-N 3.46Å; A862-A866 WeakPolarHBondContact O-CB 3.32Å; A862-A866 PolarHBondContact O-N 2.91Å; A862-L903 HydrophobicContact CB-CD1 4.29Å; A862-L903 WeakPolarHBondContact O-CD1 3.39Å; A862-A906 HydrophobicContact CB-CB 4.12Å; A862-E907 HydrophobicContact CB-CG 4.1Å
863K83.6Confident74Confident121 Ų12179.1 Ų79.153%0.52646%0.455SS..Hα-helixtrans-64.1-46.1177.1-169.8-177.7174.1-168.70112.5P859 E860 K861 L865 A866 E867P859-K863 PolarHBondContact O-N 2.94Å; P859-K863 VanDerWaalsContact O-N 3.1Å; E860-K863 PolarHBondContact O-N 3.14Å; K861-K863 VanDerWaalsContact C-N 3.34Å; K863-L865 VanDerWaalsContact C-N 3.33Å; K863-L865 PolarHBondContact O-N 3.14Å; K863-A866 PolarHBondContact O-N 3.47Å; K863-E867 PolarHBondContact O-N 3.3Å; K863-E867 VanDerWaalsContact O-N 3.11Å
864Q85.9Confident76.9Confident119 Ų11977.7 Ų77.756%0.55644%0.444SS*.Hα-helixtrans-62.4-39.9176.7-70175.99.500112.3E860 E867 A868E860-Q864 WeakPolarHBondContact O-CG 3.34Å; E860-Q864 PolarHBondContact O-N 3.44Å; E860-Q864 VanDerWaalsContact O-N 3.11Å; Q864-E867 PolarHBondContact O-N 3.09Å; Q864-A868 PolarHBondContact O-N 3.28Å
865L88.3Confident79.6Confident19 Ų1975.6 Ų75.610%0.09942%0.423CS..Hα-helixtrans-69-33.3176.6-75.4166.3000112.2K861 A862 K863 A868 V869 L899 Q902 L903 A906K861-L865 HydrophobicContact CG-CD1 4.05Å; K861-L865 WeakPolarHBondContact O-CB 3.06Å; K861-L865 WeakPolarHBondContact O-CD1 3.48Å; K861-L865 VanDerWaalsContact O-CG 3.32Å; K861-L865 WeakPolarHBondContact O-CG 3.43Å; K861-L865 PolarHBondContact O-N 3.09Å; A862-L865 PolarHBondContact O-N 3.46Å; K863-L865 VanDerWaalsContact C-N 3.33Å; K863-L865 PolarHBondContact O-N 3.14Å; L865-A868 PolarHBondContact O-N 3.3Å; L865-V869 WeakPolarHBondContact O-CB 3.48Å; L865-V869 VanDerWaalsContact O-CG2 3.24Å; L865-V869 WeakPolarHBondContact O-CG2 3.39Å; L865-V869 PolarHBondContact O-N 2.98Å; L865-L899 HydrophobicContact CD2-CD2 4.31Å; L865-Q902 HydrophobicContact CD1-CB 4.15Å; L865-Q902 HydrophobicContact CD2-CB 3.99Å; L865-L903 HydrophobicContact CB-CB 4.12Å; L865-L903 HydrophobicContact CB-CD1 3.85Å; L865-A906 HydrophobicContact CD1-CB 3.89Å
866A87.4Confident81.7Confident41 Ų4170 Ų7034%0.33939%0.393SS..Hα-helixtrans-66.1-41.9175.100000112A862 K863 V869 A870 L903A862-A866 WeakPolarHBondContact O-CB 3.32Å; A862-A866 PolarHBondContact O-N 2.91Å; K863-A866 PolarHBondContact O-N 3.47Å; A866-V869 PolarHBondContact O-N 3.4Å; A866-A870 PolarHBondContact O-N 3.44Å; A866-L903 HydrophobicContact CB-CD1 4.17Å; A866-L903 HydrophobicContact CB-CD2 4.21Å
867E88.4Confident83.8Confident112 Ų11274 Ų7452%0.52339%0.385SS..Hα-helixtrans-62.9-45.4173.9-73.1173.6-173.700111.2K863 Q864 V869 A870 E871K863-E867 PolarHBondContact O-N 3.3Å; K863-E867 VanDerWaalsContact O-N 3.11Å; Q864-E867 PolarHBondContact O-N 3.09Å; E867-V869 VanDerWaalsContact C-N 3.34Å; E867-V869 PolarHBondContact O-N 3.03Å; E867-A870 WeakPolarHBondContact O-CB 3.49Å; E867-A870 PolarHBondContact O-N 2.89Å; E867-A870 VanDerWaalsContact O-N 3.12Å; E867-E871 PolarHBondContact O-N 3.15Å
868A88.6Confident85.6Confident33 Ų3372.7 Ų72.727%0.27338%0.377SS..Hα-helixtrans-62.9-36.1176.400000113.3Q864 L865 Q872 L899Q864-A868 PolarHBondContact O-N 3.28Å; L865-A868 PolarHBondContact O-N 3.3Å; A868-Q872 VanDerWaalsContact O-CB 3.29Å; A868-Q872 WeakPolarHBondContact O-CB 3.44Å; A868-Q872 PolarHBondContact O-N 3.27Å; A868-L899 HydrophobicContact CB-CD1 4.41Å; A868-L899 HydrophobicContact CB-CD2 4.28Å
869V92.6Very high86.6Confident19 Ų1970 Ų7012%0.11536%0.363CS..Hα-helixtrans-65.7-39.1173.8167.20000111.2L865 A866 E867 G873 L896 L899 K900 L903L865-V869 WeakPolarHBondContact O-CB 3.48Å; L865-V869 VanDerWaalsContact O-CG2 3.24Å; L865-V869 WeakPolarHBondContact O-CG2 3.39Å; L865-V869 PolarHBondContact O-N 2.98Å; A866-V869 PolarHBondContact O-N 3.4Å; E867-V869 VanDerWaalsContact C-N 3.34Å; E867-V869 PolarHBondContact O-N 3.03Å; V869-G873 PolarHBondContact O-N 3.39Å; V869-L896 HydrophobicContact CG1-CD1 4.03Å; V869-L896 VanDerWaalsContact O-CD1 3.29Å; V869-L896 WeakPolarHBondContact O-CD1 3.41Å; V869-L899 HydrophobicContact CG2-CB 3.64Å; V869-K900 HydrophobicContact CG1-CD 4.42Å; V869-K900 HydrophobicContact CG1-CG 3.74Å; V869-K900 HydrophobicContact CG2-CG 3.96Å; V869-L903 HydrophobicContact CG2-CD2 4.31Å
870A87.4Confident87.2Confident52 Ų5271.3 Ų71.343%0.4336%0.359SS..Hα-helixtrans-65.6-51178.200000111.4A866 E867 Q872 G873 D874A866-A870 PolarHBondContact O-N 3.44Å; E867-A870 WeakPolarHBondContact O-CB 3.49Å; E867-A870 PolarHBondContact O-N 2.89Å; E867-A870 VanDerWaalsContact O-N 3.12Å; A870-Q872 PolarHBondContact O-N 3.04Å; A870-G873 WeakPolarHBondContact O-CA 3.45Å; A870-G873 PolarHBondContact O-N 3.45Å; A870-G873 VanDerWaalsContact O-N 3.1Å; A870-D874 PolarHBondContact O-N 3.27Å
871E90.8Very high87.7Confident147 Ų14770.1 Ų70.169%0.68736%0.364SS*.Hα-helixtrans-59.6-45.4178.7-71.9-174.3167.700112.2E867 G873 D874 K875E867-E871 PolarHBondContact O-N 3.15Å; E871-G873 VanDerWaalsContact C-N 3.27Å; E871-G873 PolarHBondContact O-N 3.47Å; E871-D874 PolarHBondContact O-N 3.15Å; E871-K875 PolarHBondContact O-N 3.43Å
872Q92.4Very high87.9Confident25 Ų2571.4 Ų71.412%0.11737%0.371CS..Hα-helixtrans-68-31178.4-171.663.419.100111.6A868 A870 V876 E892 K895 L896 L899A868-Q872 VanDerWaalsContact O-CB 3.29Å; A868-Q872 WeakPolarHBondContact O-CB 3.44Å; A868-Q872 PolarHBondContact O-N 3.27Å; A870-Q872 PolarHBondContact O-N 3.04Å; Q872-V876 WeakPolarHBondContact O-CG2 3.47Å; Q872-V876 PolarHBondContact O-N 3.09Å; Q872-V876 VanDerWaalsContact O-N 3.12Å; Q872-E892 PolarHBondContact NE2-O 3.14Å; Q872-E892 VanDerWaalsContact NE2-O 3.09Å; Q872-E892 PolarHBondContact NE2-OE2 3.23Å; Q872-K895 HydrophobicContact CG-CB 4.46Å; Q872-L896 HydrophobicContact CB-CD1 4.09Å; Q872-L896 HydrophobicContact CG-CB 3.96Å; Q872-L896 HydrophobicContact CG-CD1 4.24Å; Q872-L899 HydrophobicContact CB-CD1 3.85Å; Q872-L899 HydrophobicContact CG-CD1 4.08Å
873G88.6Confident88.3Confident12 Ų1279.7 Ų79.712%0.12441%0.405CS..Hα-helixtrans-64-42.9172.700000112.6V869 A870 E871 V876 R877V869-G873 PolarHBondContact O-N 3.39Å; A870-G873 WeakPolarHBondContact O-CA 3.45Å; A870-G873 PolarHBondContact O-N 3.45Å; A870-G873 VanDerWaalsContact O-N 3.1Å; E871-G873 VanDerWaalsContact C-N 3.27Å; E871-G873 PolarHBondContact O-N 3.47Å; G873-V876 PolarHBondContact O-N 2.76Å; G873-R877 WeakPolarHBondContact O-CG 3.1Å; G873-R877 PolarHBondContact O-N 2.82Å
874D89.9Confident88.4Confident87 Ų8775.4 Ų75.447%0.46539%0.392SS..Hα-helixtrans-66.8-40176.7-72.7-24.5000112.3A870 E871 V876 R877 A878A870-D874 PolarHBondContact O-N 3.27Å; E871-D874 PolarHBondContact O-N 3.15Å; D874-V876 VanDerWaalsContact C-N 3.34Å; D874-V876 PolarHBondContact O-N 2.84Å; D874-R877 WeakPolarHBondContact O-CB 3.41Å; D874-R877 PolarHBondContact O-N 2.73Å; D874-R877 VanDerWaalsContact O-N 3.13Å; D874-R877 IonicContact OD1-CZ 3.34Å; D874-R877 VanDerWaalsContact OD1-CZ 3.26Å; D874-R877 IonicContact OD1-NE 3.2Å; D874-R877 PolarHBondContact OD1-NE 2.97Å; D874-R877 VanDerWaalsContact OD1-NE 3.16Å; D874-R877 IonicContact OD1-NH2 2.77Å; D874-R877 PolarHBondContact OD1-NH2 3.41Å; D874-A878 WeakPolarHBondContact O-CB 3.34Å; D874-A878 PolarHBondContact O-N 2.91Å
875K89.8Confident88.4Confident101 Ų10176.7 Ų76.744%0.43940%0.398SS..Hα-helixtrans-60.6-41.8174-166.5179.8-179.1-162.90112.6E871 R877 A878 L879 E892E871-K875 PolarHBondContact O-N 3.43Å; K875-R877 VanDerWaalsContact C-N 3.34Å; K875-A878 PolarHBondContact O-N 3.15Å; K875-L879 HydrophobicContact CG-CD1 4.35Å; K875-L879 WeakPolarHBondContact O-CB 3.37Å; K875-L879 VanDerWaalsContact O-CG 3.28Å; K875-L879 WeakPolarHBondContact O-CG 3.44Å; K875-L879 PolarHBondContact O-N 3.13Å; K875-E892 WeakPolarHBondContact CE-OE2 3.46Å; K875-E892 IonicContact NZ-OE2 2.84Å; K875-E892 PolarHBondContact NZ-OE2 3.37Å
876V90.3Very high87.9Confident9 Ų984.3 Ų84.36%0.05543%0.43CS..Hα-helixtrans-66.2-36.7175169.70000111.5Q872 G873 D874 K880 E892 V893Q872-V876 WeakPolarHBondContact O-CG2 3.47Å; Q872-V876 PolarHBondContact O-N 3.09Å; Q872-V876 VanDerWaalsContact O-N 3.12Å; G873-V876 PolarHBondContact O-N 2.76Å; D874-V876 VanDerWaalsContact C-N 3.34Å; D874-V876 PolarHBondContact O-N 2.84Å; V876-K880 HydrophobicContact CG1-CD 4.24Å; V876-K880 WeakPolarHBondContact O-CB 3.41Å; V876-K880 VanDerWaalsContact O-CG 3.32Å; V876-K880 WeakPolarHBondContact O-CG 3.38Å; V876-K880 PolarHBondContact O-N 3.29Å; V876-K880 VanDerWaalsContact O-N 3.11Å; V876-E892 HydrophobicContact CG2-CB 3.9Å; V876-V893 HydrophobicContact CG1-CG2 3.6Å; V876-V893 HydrophobicContact CG2-CG2 4.15Å
877R89.6Confident87.8Confident161 Ų16185.8 Ų85.861%0.60844%0.442SS*.Hα-helixtrans-65.9-45.7175.7-76.4-172.4-83.7-141.3-0.8111.6G873 D874 K875 K880 S881G873-R877 WeakPolarHBondContact O-CG 3.1Å; G873-R877 PolarHBondContact O-N 2.82Å; D874-R877 WeakPolarHBondContact O-CB 3.41Å; D874-R877 PolarHBondContact O-N 2.73Å; D874-R877 VanDerWaalsContact O-N 3.13Å; D874-R877 IonicContact OD1-CZ 3.34Å; D874-R877 VanDerWaalsContact OD1-CZ 3.26Å; D874-R877 IonicContact OD1-NE 3.2Å; D874-R877 PolarHBondContact OD1-NE 2.97Å; D874-R877 VanDerWaalsContact OD1-NE 3.16Å; D874-R877 IonicContact OD1-NH2 2.77Å; D874-R877 PolarHBondContact OD1-NH2 3.41Å; K875-R877 VanDerWaalsContact C-N 3.34Å; R877-K880 PolarHBondContact O-N 3.07Å; R877-S881 PolarHBondContact O-N 3.49Å; R877-S881 PolarHBondContact O-OG 2.81Å
878A88.8Confident87.5Confident39 Ų3983.7 Ų83.732%0.32244%0.437SS..Hα-helixtrans-59.5-48.1176.500000112D874 K875 K880 S881 E882D874-A878 WeakPolarHBondContact O-CB 3.34Å; D874-A878 PolarHBondContact O-N 2.91Å; K875-A878 PolarHBondContact O-N 3.15Å; A878-K880 VanDerWaalsContact C-N 3.27Å; A878-K880 PolarHBondContact O-N 3.06Å; A878-S881 WeakPolarHBondContact CA-OG 3.27Å; A878-S881 PolarHBondContact O-N 3.31Å; A878-S881 VanDerWaalsContact O-N 3.15Å; A878-S881 PolarHBondContact O-OG 2.65Å; A878-E882 WeakPolarHBondContact O-CB 3.46Å; A878-E882 WeakPolarHBondContact O-CG 3.31Å; A878-E882 PolarHBondContact O-N 3.38Å
879L89.9Confident87.3Confident31 Ų3183.4 Ų83.416%0.16243%0.43CS..Hα-helixtrans-63.1-32.4178-71169.9000112.9K875 K883 A884 V888 I889 E892K875-L879 HydrophobicContact CG-CD1 4.35Å; K875-L879 WeakPolarHBondContact O-CB 3.37Å; K875-L879 VanDerWaalsContact O-CG 3.28Å; K875-L879 WeakPolarHBondContact O-CG 3.44Å; K875-L879 PolarHBondContact O-N 3.13Å; L879-K883 PolarHBondContact O-N 3.39Å; L879-A884 HydrophobicContact CB-CB 4.25Å; L879-A884 HydrophobicContact CD2-CB 3.93Å; L879-A884 WeakPolarHBondContact O-CB 3.45Å; L879-A884 PolarHBondContact O-N 3.45Å; L879-V888 HydrophobicContact CD1-CG1 4.46Å; L879-I889 HydrophobicContact CB-CG1 4.16Å; L879-E892 HydrophobicContact CD1-CB 4.21Å; L879-E892 HydrophobicContact CD1-CG 3.81Å
880K84Confident87Confident124 Ų12486.4 Ų86.454%0.53945%0.449SS..Hα-helixtrans-73-38.8174.1-77.2178178.5-177.50112.3V876 R877 A878 E882 K883 I889V876-K880 HydrophobicContact CG1-CD 4.24Å; V876-K880 WeakPolarHBondContact O-CB 3.41Å; V876-K880 VanDerWaalsContact O-CG 3.32Å; V876-K880 WeakPolarHBondContact O-CG 3.38Å; V876-K880 PolarHBondContact O-N 3.29Å; V876-K880 VanDerWaalsContact O-N 3.11Å; R877-K880 PolarHBondContact O-N 3.07Å; A878-K880 VanDerWaalsContact C-N 3.27Å; A878-K880 PolarHBondContact O-N 3.06Å; K880-E882 VanDerWaalsContact C-N 3.34Å; K880-K883 PolarHBondContact O-N 3.13Å; K880-I889 HydrophobicContact CD-CG2 4.49Å; K880-I889 HydrophobicContact CG-CD1 4.1Å; K880-I889 HydrophobicContact CG-CG2 3.91Å
881S85.3Confident87Confident92 Ų9286.4 Ų86.464%0.64345%0.449SS*.Hα-helixtrans-68.3-34.5175.550.50000112.5R877 A878 K883R877-S881 PolarHBondContact O-N 3.49Å; R877-S881 PolarHBondContact O-OG 2.81Å; A878-S881 WeakPolarHBondContact CA-OG 3.27Å; A878-S881 PolarHBondContact O-N 3.31Å; A878-S881 VanDerWaalsContact O-N 3.15Å; A878-S881 PolarHBondContact O-OG 2.65Å; S881-K883 PolarHBondContact O-N 3.14Å
882E83.9Confident87Confident143 Ų14380.3 Ų80.367%0.66842%0.421SS*.THydrogen-bonded Turntrans-79.1-0.5177-69.3174.3-17500113.5A878 K880 A884A878-E882 WeakPolarHBondContact O-CB 3.46Å; A878-E882 WeakPolarHBondContact O-CG 3.31Å; A878-E882 PolarHBondContact O-N 3.38Å; K880-E882 VanDerWaalsContact C-N 3.34Å; E882-A884 PolarHBondContact O-N 3.01Å
883K88.3Confident86.8Confident187 Ų18781.2 Ų81.281%0.81343%0.428SS*.THydrogen-bonded Turntrans52.939.3-177-58.8-178.8179.8177.40113.1L879 K880 S881L879-K883 PolarHBondContact O-N 3.39Å; K880-K883 PolarHBondContact O-N 3.13Å; S881-K883 PolarHBondContact O-N 3.14Å
884A85.5Confident86.8Confident30 Ų3084.5 Ų84.525%0.24845%0.448CS..  trans-59.2160.3175.900000112L879 E882 K886 I889L879-A884 HydrophobicContact CB-CB 4.25Å; L879-A884 HydrophobicContact CD2-CB 3.93Å; L879-A884 WeakPolarHBondContact O-CB 3.45Å; L879-A884 PolarHBondContact O-N 3.45Å; E882-A884 PolarHBondContact O-N 3.01Å; A884-K886 PolarHBondContact O-N 2.93Å; A884-I889 HydrophobicContact CB-CD1 4.45Å; A884-I889 HydrophobicContact CB-CG1 4.3Å; A884-I889 VanDerWaalsContact O-CD1 3.26Å; A884-I889 WeakPolarHBondContact O-CD1 3.38Å
885E86.4Confident86.7Confident147 Ų14785.7 Ų85.769%0.68745%0.449SS*.  trans-55.9138.9-178.3-72.2-166.9166.700112.5A887 V888 I889E885-A887 PolarHBondContact O-N 3.09Å; E885-A887 VanDerWaalsContact O-N 3.09Å; E885-V888 HydrophobicContact CB-CG2 4.21Å; E885-V888 WeakPolarHBondContact O-CB 3.23Å; E885-V888 PolarHBondContact O-N 3.28Å; E885-I889 PolarHBondContact O-N 3.24Å; E885-I889 VanDerWaalsContact O-N 3.13Å
886K78.5Confident86.7Confident179 Ų17982.1 Ų82.178%0.77844%0.435SS*.Hα-helixtrans-56.4-32.5-175.8-169.8176.3-179178.20112.9A884 T890A884-K886 PolarHBondContact O-N 2.93Å; K886-T890 VanDerWaalsContact O-CB 3.31Å; K886-T890 WeakPolarHBondContact O-CB 3.48Å; K886-T890 PolarHBondContact O-N 3.01Å; K886-T890 PolarHBondContact O-OG1 2.79Å
887A83.8Confident86.4Confident72 Ų7287 Ų8760%0.59546%0.46SS*.Hα-helixtrans-64.7-41.7176.100000112.1E885 T890 A891E885-A887 PolarHBondContact O-N 3.09Å; E885-A887 VanDerWaalsContact O-N 3.09Å; A887-T890 PolarHBondContact O-N 3.14Å; A887-A891 PolarHBondContact O-N 3.49Å
888V83.5Confident86.2Confident67 Ų6783.2 Ų83.241%0.40645%0.452SS..Hα-helixtrans-68.6-45.3179.4-1780000110.8L879 E885 T890 A891 E892L879-V888 HydrophobicContact CD1-CG1 4.46Å; E885-V888 HydrophobicContact CB-CG2 4.21Å; E885-V888 WeakPolarHBondContact O-CB 3.23Å; E885-V888 PolarHBondContact O-N 3.28Å; V888-T890 VanDerWaalsContact C-N 3.29Å; V888-T890 PolarHBondContact O-N 2.86Å; V888-A891 PolarHBondContact O-N 3.37Å; V888-E892 PolarHBondContact O-N 3.5Å; V888-E892 VanDerWaalsContact O-N 3.15Å
889I84.9Confident86.3Confident27 Ų2783.2 Ų83.214%0.13845%0.447CS..Hα-helixtrans-61.1-41.4176-62.8172000110.5L879 K880 A884 E885 E892 V893L879-I889 HydrophobicContact CB-CG1 4.16Å; K880-I889 HydrophobicContact CD-CG2 4.49Å; K880-I889 HydrophobicContact CG-CD1 4.1Å; K880-I889 HydrophobicContact CG-CG2 3.91Å; A884-I889 HydrophobicContact CB-CD1 4.45Å; A884-I889 HydrophobicContact CB-CG1 4.3Å; A884-I889 VanDerWaalsContact O-CD1 3.26Å; A884-I889 WeakPolarHBondContact O-CD1 3.38Å; E885-I889 PolarHBondContact O-N 3.24Å; E885-I889 VanDerWaalsContact O-N 3.13Å; I889-E892 PolarHBondContact O-N 3.36Å; I889-V893 HydrophobicContact CG2-CG2 4.23Å; I889-V893 WeakPolarHBondContact O-CB 3.2Å; I889-V893 WeakPolarHBondContact O-CG2 3.36Å; I889-V893 PolarHBondContact O-N 3.12Å
890T84.7Confident86.1Confident83 Ų8387.1 Ų87.151%0.50946%0.462SS..Hα-helixtrans-65.7-39.9-179.3-56.50000111.8K886 A887 V888 V893 S894K886-T890 VanDerWaalsContact O-CB 3.31Å; K886-T890 WeakPolarHBondContact O-CB 3.48Å; K886-T890 PolarHBondContact O-N 3.01Å; K886-T890 PolarHBondContact O-OG1 2.79Å; A887-T890 PolarHBondContact O-N 3.14Å; V888-T890 VanDerWaalsContact C-N 3.29Å; V888-T890 PolarHBondContact O-N 2.86Å; T890-V893 PolarHBondContact O-N 3.32Å; T890-S894 PolarHBondContact O-N 3.44Å; T890-S894 VanDerWaalsContact O-N 3.07Å
891A87.7Confident86.1Confident51 Ų5186.7 Ų86.742%0.42146%0.46SS..Hα-helixtrans-63.3-44176.300000112.2A887 V888 S894 K895A887-A891 PolarHBondContact O-N 3.49Å; V888-A891 PolarHBondContact O-N 3.37Å; A891-S894 WeakPolarHBondContact O-CB 3.47Å; A891-S894 PolarHBondContact O-N 2.9Å; A891-K895 PolarHBondContact O-N 3.04Å
892E90.4Very high85.9Confident20 Ų2086.2 Ų86.29%0.09345%0.448CS..Hα-helixtrans-73.4-30.3-179.4-64.2-62.7119.100112.8Q872 K875 V876 L879 V888 I889 K895 L896Q872-E892 PolarHBondContact NE2-O 3.14Å; Q872-E892 VanDerWaalsContact NE2-O 3.09Å; Q872-E892 PolarHBondContact NE2-OE2 3.23Å; K875-E892 WeakPolarHBondContact CE-OE2 3.46Å; K875-E892 IonicContact NZ-OE2 2.84Å; K875-E892 PolarHBondContact NZ-OE2 3.37Å; V876-E892 HydrophobicContact CG2-CB 3.9Å; L879-E892 HydrophobicContact CD1-CB 4.21Å; L879-E892 HydrophobicContact CD1-CG 3.81Å; V888-E892 PolarHBondContact O-N 3.5Å; V888-E892 VanDerWaalsContact O-N 3.15Å; I889-E892 PolarHBondContact O-N 3.36Å; E892-K895 PolarHBondContact O-N 2.77Å; E892-K895 IonicContact OE1-NZ 3.76Å; E892-K895 PolarHBondContact OE1-NZ 3.39Å; E892-L896 PolarHBondContact O-N 3.18Å; E892-L896 VanDerWaalsContact O-N 3.15Å
893V88.2Confident86Confident44 Ų4480.5 Ų80.527%0.26742%0.422SS..Hα-helixtrans-65.6-37.9170169.10000111.3V876 I889 T890 K895 L896 L897V876-V893 HydrophobicContact CG1-CG2 3.6Å; V876-V893 HydrophobicContact CG2-CG2 4.15Å; I889-V893 HydrophobicContact CG2-CG2 4.23Å; I889-V893 WeakPolarHBondContact O-CB 3.2Å; I889-V893 WeakPolarHBondContact O-CG2 3.36Å; I889-V893 PolarHBondContact O-N 3.12Å; T890-V893 PolarHBondContact O-N 3.32Å; V893-K895 VanDerWaalsContact C-N 3.33Å; V893-K895 PolarHBondContact O-N 3.28Å; V893-L896 WeakPolarHBondContact O-CB 3.22Å; V893-L896 PolarHBondContact O-N 3Å; V893-L897 HydrophobicContact CG1-CD1 4.23Å; V893-L897 WeakPolarHBondContact O-CG 3.26Å; V893-L897 PolarHBondContact O-N 2.73Å
894S88.5Confident85.6Confident80 Ų8072.6 Ų72.656%0.55939%0.391SS*.Hα-helixtrans-63.7-39.4176.9-165.40000111.9T890 A891 L897 D898T890-S894 PolarHBondContact O-N 3.44Å; T890-S894 VanDerWaalsContact O-N 3.07Å; A891-S894 WeakPolarHBondContact O-CB 3.47Å; A891-S894 PolarHBondContact O-N 2.9Å; S894-L897 PolarHBondContact O-N 2.97Å; S894-D898 PolarHBondContact O-N 3.41Å; S894-D898 VanDerWaalsContact O-N 3.15Å
895K88.3Confident85.3Confident112 Ų11276 Ų7649%0.48741%0.405SS..Hα-helixtrans-63.9-41.3174.1-69.4176.6-176.2166.40112Q872 A891 E892 V893 L897 D898 L899Q872-K895 HydrophobicContact CG-CB 4.46Å; A891-K895 PolarHBondContact O-N 3.04Å; E892-K895 PolarHBondContact O-N 2.77Å; E892-K895 IonicContact OE1-NZ 3.76Å; E892-K895 PolarHBondContact OE1-NZ 3.39Å; V893-K895 VanDerWaalsContact C-N 3.33Å; V893-K895 PolarHBondContact O-N 3.28Å; K895-L897 VanDerWaalsContact C-N 3.33Å; K895-L897 PolarHBondContact O-N 3.46Å; K895-D898 PolarHBondContact O-N 2.98Å; K895-L899 WeakPolarHBondContact O-CG 3.41Å; K895-L899 PolarHBondContact O-N 2.96Å
896L89.9Confident84.8Confident26 Ų2669.7 Ų69.714%0.13638%0.378CS..Hα-helixtrans-61.1-41.3176.6-179.161.4000112.1V869 Q872 E892 V893 K900V869-L896 HydrophobicContact CG1-CD1 4.03Å; V869-L896 VanDerWaalsContact O-CD1 3.29Å; V869-L896 WeakPolarHBondContact O-CD1 3.41Å; Q872-L896 HydrophobicContact CB-CD1 4.09Å; Q872-L896 HydrophobicContact CG-CB 3.96Å; Q872-L896 HydrophobicContact CG-CD1 4.24Å; E892-L896 PolarHBondContact O-N 3.18Å; E892-L896 VanDerWaalsContact O-N 3.15Å; V893-L896 WeakPolarHBondContact O-CB 3.22Å; V893-L896 PolarHBondContact O-N 3Å; L896-K900 WeakPolarHBondContact O-CG 3.4Å; L896-K900 PolarHBondContact O-N 3.32Å; L896-K900 VanDerWaalsContact O-N 3.09Å
897L84.4Confident84.8Confident111 Ų11165.1 Ų65.158%0.58136%0.359SS*.Hα-helixtrans-66.2-38177.7-71.8170.4000112.1V893 S894 K895 K900 K901V893-L897 HydrophobicContact CG1-CD1 4.23Å; V893-L897 WeakPolarHBondContact O-CG 3.26Å; V893-L897 PolarHBondContact O-N 2.73Å; S894-L897 PolarHBondContact O-N 2.97Å; K895-L897 VanDerWaalsContact C-N 3.33Å; K895-L897 PolarHBondContact O-N 3.46Å; L897-K900 PolarHBondContact O-N 2.75Å; L897-K901 PolarHBondContact O-N 3.02Å; L897-K901 VanDerWaalsContact O-N 3.09Å
898D85.9Confident84.1Confident83 Ų8364.7 Ų64.744%0.44436%0.362SS..Hα-helixtrans-68.4-42.2177.6-160.157.5000111.9S894 K895 K900 K901 Q902S894-D898 PolarHBondContact O-N 3.41Å; S894-D898 VanDerWaalsContact O-N 3.15Å; K895-D898 PolarHBondContact O-N 2.98Å; D898-K900 VanDerWaalsContact C-N 3.33Å; D898-K900 PolarHBondContact O-N 3.05Å; D898-K901 WeakPolarHBondContact O-CB 3.49Å; D898-K901 PolarHBondContact O-N 3.17Å; D898-K901 VanDerWaalsContact O-N 3.14Å; D898-Q902 WeakPolarHBondContact O-CG 3.32Å; D898-Q902 PolarHBondContact O-N 2.92Å; D898-Q902 PolarHBondContact OD2-NE2 3.44Å
899L89.3Confident83.5Confident39 Ų3967.6 Ų67.620%0.20437%0.369CS..Hα-helixtrans-60.6-40.3174.1-71.9169.4000112.3L865 A868 V869 Q872 K895 K901 Q902 L903L865-L899 HydrophobicContact CD2-CD2 4.31Å; A868-L899 HydrophobicContact CB-CD1 4.41Å; A868-L899 HydrophobicContact CB-CD2 4.28Å; V869-L899 HydrophobicContact CG2-CB 3.64Å; Q872-L899 HydrophobicContact CB-CD1 3.85Å; Q872-L899 HydrophobicContact CG-CD1 4.08Å; K895-L899 WeakPolarHBondContact O-CG 3.41Å; K895-L899 PolarHBondContact O-N 2.96Å; L899-K901 VanDerWaalsContact C-N 3.32Å; L899-K901 PolarHBondContact O-N 3.35Å; L899-Q902 PolarHBondContact O-N 2.95Å; L899-L903 WeakPolarHBondContact O-CB 3.42Å; L899-L903 PolarHBondContact O-N 3.31Å
900K85.9Confident82Confident113 Ų11371.8 Ų71.849%0.49140%0.401SS..Hα-helixtrans-64.6-35.8175-76.9-174.2174.5-167.30112.8V869 L896 L897 D898 L903 A904V869-K900 HydrophobicContact CG1-CD 4.42Å; V869-K900 HydrophobicContact CG1-CG 3.74Å; V869-K900 HydrophobicContact CG2-CG 3.96Å; L896-K900 WeakPolarHBondContact O-CG 3.4Å; L896-K900 PolarHBondContact O-N 3.32Å; L896-K900 VanDerWaalsContact O-N 3.09Å; L897-K900 PolarHBondContact O-N 2.75Å; D898-K900 VanDerWaalsContact C-N 3.33Å; D898-K900 PolarHBondContact O-N 3.05Å; K900-L903 PolarHBondContact O-N 2.97Å; K900-A904 PolarHBondContact O-N 2.77Å
901K84.3Confident80.2Confident114 Ų11470.3 Ų70.350%0.49639%0.393SS..Hα-helixtrans-67.1-41.6175.2-171.6-178.2178.7-174.90111.4L897 D898 L899 A904 L905 P911L897-K901 PolarHBondContact O-N 3.02Å; L897-K901 VanDerWaalsContact O-N 3.09Å; D898-K901 WeakPolarHBondContact O-CB 3.49Å; D898-K901 PolarHBondContact O-N 3.17Å; D898-K901 VanDerWaalsContact O-N 3.14Å; L899-K901 VanDerWaalsContact C-N 3.32Å; L899-K901 PolarHBondContact O-N 3.35Å; K901-A904 PolarHBondContact O-N 2.95Å; K901-L905 WeakPolarHBondContact O-CG 3.48Å; K901-L905 PolarHBondContact O-N 2.78Å; K901-L905 VanDerWaalsContact O-N 3.14Å; K901-P911 HydrophobicContact CG-CB 3.96Å
902Q81.6Confident78.4Confident82 Ų8276.7 Ų76.738%0.38341%0.414SS..Hα-helixtrans-65.5-39.3175.8-66.7178.832.200111.7L865 D898 L899 L905 A906L865-Q902 HydrophobicContact CD1-CB 4.15Å; L865-Q902 HydrophobicContact CD2-CB 3.99Å; D898-Q902 WeakPolarHBondContact O-CG 3.32Å; D898-Q902 PolarHBondContact O-N 2.92Å; D898-Q902 PolarHBondContact OD2-NE2 3.44Å; L899-Q902 PolarHBondContact O-N 2.95Å; Q902-L905 PolarHBondContact O-N 3.24Å; Q902-A906 PolarHBondContact O-N 2.81Å
903L86.3Confident75.9Confident24 Ų2481.6 Ų81.613%0.12645%0.447CS..Hα-helixtrans-62.8-46.2174.2-18061.4000111.8A862 L865 A866 V869 L899 K900 L905 A906 E907A862-L903 HydrophobicContact CB-CD1 4.29Å; A862-L903 WeakPolarHBondContact O-CD1 3.39Å; L865-L903 HydrophobicContact CB-CB 4.12Å; L865-L903 HydrophobicContact CB-CD1 3.85Å; A866-L903 HydrophobicContact CB-CD1 4.17Å; A866-L903 HydrophobicContact CB-CD2 4.21Å; V869-L903 HydrophobicContact CG2-CD2 4.31Å; L899-L903 WeakPolarHBondContact O-CB 3.42Å; L899-L903 PolarHBondContact O-N 3.31Å; K900-L903 PolarHBondContact O-N 2.97Å; L903-L905 VanDerWaalsContact C-N 3.28Å; L903-L905 PolarHBondContact O-N 3.33Å; L903-A906 PolarHBondContact O-N 3.46Å; L903-A906 VanDerWaalsContact O-N 3.08Å; L903-E907 HydrophobicContact CD1-CG 4.13Å; L903-E907 HydrophobicContact CG-CG 4.46Å; L903-E907 WeakPolarHBondContact O-CG 3.47Å; L903-E907 PolarHBondContact O-N 3.13Å
904A78.9Confident73.5Confident20 Ų2083.4 Ų83.417%0.16547%0.467CS..Hα-helixtrans-58.7-40.8177.500000112.1K900 K901 E907 G908 K909K900-A904 PolarHBondContact O-N 2.77Å; K901-A904 PolarHBondContact O-N 2.95Å; A904-E907 PolarHBondContact O-N 3.31Å; A904-G908 PolarHBondContact O-N 3.21Å; A904-K909 CarbonylContact C-O 3.39Å; A904-K909 PolarHBondContact O-N 2.67Å
905L80.1Confident70.8Confident103 Ų10385.8 Ų85.854%0.53948%0.481SS..Hα-helixtrans-66.4-37.2174.8-71.4168.6000112.6K901 Q902 L903 E907 G908 P911K901-L905 WeakPolarHBondContact O-CG 3.48Å; K901-L905 PolarHBondContact O-N 2.78Å; K901-L905 VanDerWaalsContact O-N 3.14Å; Q902-L905 PolarHBondContact O-N 3.24Å; L903-L905 VanDerWaalsContact C-N 3.28Å; L903-L905 PolarHBondContact O-N 3.33Å; L905-E907 VanDerWaalsContact C-N 3.35Å; L905-G908 PolarHBondContact O-N 3.09Å; L905-P911 HydrophobicContact CD2-CG 4.2Å
906A76.8Confident68Low14 Ų1489.4 Ų89.412%0.11650%0.499CS..Hα-helixtrans-71.4-28.3176.800000113A862 L865 Q902 L903A862-A906 HydrophobicContact CB-CB 4.12Å; L865-A906 HydrophobicContact CD1-CB 3.89Å; Q902-A906 PolarHBondContact O-N 2.81Å; L903-A906 PolarHBondContact O-N 3.46Å; L903-A906 VanDerWaalsContact O-N 3.08Å
907E77.7Confident65.7Low82 Ų8298.4 Ų98.438%0.38354%0.537SS..THydrogen-bonded Turntrans-87.62.7176.3-68.4-176.3171.500113.9A862 L903 A904 L905 K909A862-E907 HydrophobicContact CB-CG 4.1Å; L903-E907 HydrophobicContact CD1-CG 4.13Å; L903-E907 HydrophobicContact CG-CG 4.46Å; L903-E907 WeakPolarHBondContact O-CG 3.47Å; L903-E907 PolarHBondContact O-N 3.13Å; A904-E907 PolarHBondContact O-N 3.31Å; L905-E907 VanDerWaalsContact C-N 3.35Å; E907-K909 HydrophobicContact CB-CD 4.38Å; E907-K909 HydrophobicContact CB-CG 4.41Å; E907-K909 PolarHBondContact O-N 3.22Å; E907-K909 WeakPolarHBondContact OE2-CE 3.33Å; E907-K909 IonicContact OE2-NZ 3.74Å; E907-K909 PolarHBondContact OE2-NZ 3.46Å
908G68.3Low63Low64 Ų6496.1 Ų96.166%0.6654%0.541SS*.THydrogen-bonded Turntrans70.615.3-178.900000114.7A904 L905A904-G908 PolarHBondContact O-N 3.21Å; L905-G908 PolarHBondContact O-N 3.09Å
909K71.3Confident60.6Low127 Ų127102.2 Ų102.255%0.55256%0.563SS**PPolyproline II helixtrans-91.5139177-65.7172.8-174.7157.90109.9A904 E907 P911A904-K909 CarbonylContact C-O 3.39Å; A904-K909 PolarHBondContact O-N 2.67Å; E907-K909 HydrophobicContact CB-CD 4.38Å; E907-K909 HydrophobicContact CB-CG 4.41Å; E907-K909 PolarHBondContact O-N 3.22Å; E907-K909 WeakPolarHBondContact OE2-CE 3.33Å; E907-K909 IonicContact OE2-NZ 3.74Å; E907-K909 PolarHBondContact OE2-NZ 3.46Å; K909-P911 WeakPolarHBondContact O-CD 3.23Å
910S53.6Low57.8Low116 Ų116110.2 Ų110.281%0.81160%0.596SS**PPolyproline II helixtrans-65126172.5-67.90000110.1E912S910-E912 PolarHBondContact O-N 3.5Å
911P46.6Very low55.1Low52 Ų52118.2 Ų118.234%0.33863%0.631SS.*PPolyproline II helixtrans-68.9122.417924.9-30.8000110.1K901 L905 K909K901-P911 HydrophobicContact CG-CB 3.96Å; L905-P911 HydrophobicContact CD2-CG 4.2Å; K909-P911 WeakPolarHBondContact O-CD 3.23Å
912E50.3Low53.6Low185 Ų185118.4 Ų118.486%0.86464%0.638SS**PPolyproline II helixtrans-56.4139.5174.5-76.1-176.9155.100111.1S910 A914S910-E912 PolarHBondContact O-N 3.5Å; E912-A914 PolarHBondContact O-N 3.2Å
913P38.3Very low52.2Low122 Ų122120.3 Ų120.379%0.79265%0.651SS**PPolyproline II helixtrans-68.5132175.526.4-29.8000110.3
914A36.8Very low50.3Low82 Ų82125.7 Ų125.768%0.67868%0.68SS**PPolyproline II helixtrans-56.5142.5173.500000110.7E912 Q916E912-A914 PolarHBondContact O-N 3.2Å; A914-Q916 PolarHBondContact O-N 3.05Å
915P32.8Very low48.6Very low130 Ų130131.9 Ų131.984%0.84471%0.711SS**  trans-63.5109.6-176.723.9-31.3000110.1K917P915-K917 PolarHBondContact O-N 3.08Å
916Q29.1Very low46.6Very low189 Ų189133.7 Ų133.788%0.88372%0.721SS**  trans-64.3123.7166.6-75.1-174.3-1100108.2A914 G918A914-Q916 PolarHBondContact O-N 3.05Å; Q916-G918 PolarHBondContact O-N 3.15Å
917K41.6Very low44.6Very low215 Ų215141.7 Ų141.794%0.93576%0.762SS**  trans-65.184.4164.8-83.9-176.7174.9178.30109P915P915-K917 PolarHBondContact O-N 3.08Å
918G28Very low42.2Very low63 Ų63145.9 Ų145.965%0.64979%0.789SS**PPolyproline II helixtrans-76.7122.3167.400000110.3Q916 K920Q916-G918 PolarHBondContact O-N 3.15Å; G918-K920 PolarHBondContact O-N 3.41Å
919K35.3Very low40.2Very low211 Ų211152.2 Ų152.292%0.91780%0.799SS**PPolyproline II helixtrans-57.2120.6166-75.2174.2174176.50108.6
920K30.4Very low37.7Very low207 Ų207154.3 Ų154.390%0.982%0.819SS**PPolyproline II helixtrans-63.8130.6176.6-72.3-178.2172.7-1750110.6G918G918-K920 PolarHBondContact O-N 3.41Å
921K29.1Very low36.2Very low280 Ų280157.8 Ų157.8100%1.21782%0.82SS**  trans-108.60148-93.7-169.4175.7-175.70107.2

Retrieved 921 of 921 residues in 407.5 ms (Link to these results)

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