A0A077ZN70_TRITR Loading...

PDEase I domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZN70, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 242 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
1M38.7Very low63.1Low192 Ų19279.5 Ų79.595%0.94637%0.373SS*.  0123.90-162.516174.500106.4R3 R48M1-R3 PolarHBondContact O-N 2.93Å; M1-R48 PolarHBondContact SD-NH2 2.94Å; M1-R48 VanDerWaalsContact SD-NH2 3.44Å
2Q41.8Very low63.7Low173 Ų17373.8 Ų73.881%0.80835%0.35SS*.  trans-63.5125-172.9-79.6172-32.500110.4F4Q2-F4 PolarHBondContact O-N 3.28Å
3R59.8Low64.4Low141 Ų14172.2 Ų72.253%0.53234%0.34SS..  trans-81.588.2-179.3-60.4-178.9-176.4-164.6-1.9109.5M1 T7M1-R3 PolarHBondContact O-N 2.93Å; R3-T7 WeakPolarHBondContact O-CB 3.42Å; R3-T7 PolarHBondContact O-OG1 2.85Å
4F62.7Low65Low91 Ų9173.6 Ų73.640%0.39935%0.347SS..  trans-91.3-43.6-160.9-164.2-109.5000111.4Q2 V8 E37 S52Q2-F4 PolarHBondContact O-N 3.28Å; F4-V8 VanDerWaalsContact O-CG2 3.29Å; F4-V8 WeakPolarHBondContact O-CG2 3.47Å; F4-V8 PolarHBondContact O-N 2.85Å; F4-V8 VanDerWaalsContact O-N 3.16Å; F4-E37 PolarHBondContact N-OE1 2.64Å; F4-S52 VanDerWaalsContact CD1-OG 3.27Å; F4-S52 WeakPolarHBondContact CD1-OG 3.27Å
5E68.7Low65.5Low0 Ų074.1 Ų74.10%035%0.352CS..Hα-helixtrans-72.5-50.9-174.6-168.6-78.914500111.9T7 V8 A9 E37 Y40 R48 A51 S52E5-T7 PolarHBondContact O-N 2.96Å; E5-T7 VanDerWaalsContact O-N 3.15Å; E5-V8 PolarHBondContact O-N 3.37Å; E5-A9 PolarHBondContact O-N 2.96Å; E5-E37 HydrophobicContact CB-CB 4.49Å; E5-E37 HydrophobicContact CB-CG 4.18Å; E5-E37 PolarHBondContact N-OE1 3.44Å; E5-Y40 HydrophobicContact CG-CE2 4.41Å; E5-R48 HydrophobicContact CB-CB 4.21Å; E5-A51 HydrophobicContact CG-CB 4.04Å; E5-S52 WeakPolarHBondContact CA-OG 3.44Å; E5-S52 WeakPolarHBondContact CB-OG 3.28Å; E5-S52 PolarHBondContact N-OG 2.88Å
6E70.4Confident65.9Low11 Ų1172.9 Ų72.95%0.05135%0.351CS..Hα-helixtrans-52-42176.9-175.7-165.4114.600111.4F10 F30 F33 H34 E37E6-F10 VanDerWaalsContact O-CB 3.25Å; E6-F10 WeakPolarHBondContact O-CB 3.31Å; E6-F10 PolarHBondContact O-N 3.21Å; E6-F30 WeakPolarHBondContact OE1-CE2 3.4Å; E6-F30 WeakPolarHBondContact OE1-CZ 3.3Å; E6-F33 HydrophobicContact CB-CB 4.33Å; E6-F33 HydrophobicContact CG-CB 3.87Å; E6-H34 IonicContact OE2-CG 3.31Å; E6-H34 IonicContact OE2-ND1 3.65Å; E6-H34 PolarHBondContact OE2-ND1 3.49Å; E6-E37 HydrophobicContact CB-CB 4.48Å; E6-E37 VanDerWaalsContact CB-OE2 3.26Å; E6-E37 WeakPolarHBondContact CB-OE2 3.31Å
7T69.4Low66.4Low84 Ų8473.4 Ų73.452%0.51536%0.357SS..Hα-helixtrans-68.8-42.8179.6-57.60000112.1R3 E5 K11R3-T7 WeakPolarHBondContact O-CB 3.42Å; R3-T7 PolarHBondContact O-OG1 2.85Å; E5-T7 PolarHBondContact O-N 2.96Å; E5-T7 VanDerWaalsContact O-N 3.15Å; T7-K11 WeakPolarHBondContact O-CB 3.34Å; T7-K11 PolarHBondContact O-N 3.45Å
8V67.4Low66.7Low30 Ų3072.2 Ų72.218%0.18235%0.352CS..Hα-helixtrans-66.7-45.2179.9171.60000110.4F4 E5 K11 A12 L55 H56F4-V8 VanDerWaalsContact O-CG2 3.29Å; F4-V8 WeakPolarHBondContact O-CG2 3.47Å; F4-V8 PolarHBondContact O-N 2.85Å; F4-V8 VanDerWaalsContact O-N 3.16Å; E5-V8 PolarHBondContact O-N 3.37Å; V8-K11 PolarHBondContact O-N 3.35Å; V8-A12 WeakPolarHBondContact O-CB 3.49Å; V8-A12 PolarHBondContact O-N 3.48Å; V8-L55 HydrophobicContact CG1-CD2 4.23Å; V8-L55 HydrophobicContact CG1-CG 4.27Å; V8-H56 HydrophobicContact CG1-CB 4.13Å
9A70.7Confident67.1Low1 Ų169.6 Ų69.61%0.00834%0.338CS..Hα-helixtrans-61.3-47.7177.600000112.2E5 K11 A12 F13 F33 L55E5-A9 PolarHBondContact O-N 2.96Å; A9-K11 VanDerWaalsContact C-N 3.32Å; A9-K11 PolarHBondContact O-N 3.46Å; A9-A12 PolarHBondContact O-N 2.81Å; A9-F13 WeakPolarHBondContact O-CD2 3.47Å; A9-F13 PolarHBondContact O-N 2.99Å; A9-F13 VanDerWaalsContact O-N 3.13Å; A9-F33 HydrophobicContact CB-CD1 3.83Å; A9-F33 HydrophobicContact CB-CD2 3.99Å; A9-F33 HydrophobicContact CB-CE1 3.75Å; A9-F33 HydrophobicContact CB-CE2 3.89Å; A9-F33 HydrophobicContact CB-CG 3.98Å; A9-F33 HydrophobicContact CB-CZ 3.79Å; A9-L55 VanDerWaalsContact CA-CD2 3.44Å; A9-L55 HydrophobicContact CB-CD2 3.47Å; A9-L55 VanDerWaalsContact CB-CD2 3.47Å
10F73.4Confident67.5Low53 Ų5374.1 Ų74.123%0.23236%0.356CS..Hα-helixtrans-59.3-44.3177.1-168.5-82.3000111.7E6 F13 E14 F19 L26 I29 F33E6-F10 VanDerWaalsContact O-CB 3.25Å; E6-F10 WeakPolarHBondContact O-CB 3.31Å; E6-F10 PolarHBondContact O-N 3.21Å; F10-F13 PolarHBondContact O-N 3.48Å; F10-E14 PolarHBondContact O-N 2.93Å; F10-F19 HydrophobicContact CD1-CE2 4.12Å; F10-F19 HydrophobicContact CD1-CZ 4.27Å; F10-F19 HydrophobicContact CD2-CE2 4.37Å; F10-F19 AromaticContact CD2-CZ 3.83Å; F10-F19 HydrophobicContact CD2-CZ 3.83Å; F10-F19 AromaticContact CE1-CE2 3.85Å; F10-F19 HydrophobicContact CE1-CE2 3.85Å; F10-F19 HydrophobicContact CE1-CZ 4.27Å; F10-F19 HydrophobicContact CE2-CE2 4.12Å; F10-F19 AromaticContact CE2-CZ 3.84Å; F10-F19 HydrophobicContact CE2-CZ 3.84Å; F10-F19 HydrophobicContact CG-CE2 4.37Å; F10-F19 HydrophobicContact CG-CZ 4.05Å; F10-F19 AromaticContact CZ-CE2 3.85Å; F10-F19 HydrophobicContact CZ-CE2 3.85Å; F10-F19 HydrophobicContact CZ-CZ 4.07Å; F10-F19 WeakPolarHBondContact O-CE2 3.24Å; F10-F19 WeakPolarHBondContact O-CZ 3.45Å; F10-L26 HydrophobicContact CE2-CD2 4.33Å; F10-L26 HydrophobicContact CZ-CD2 4.14Å; F10-I29 HydrophobicContact CE2-CG2 4.29Å; F10-F33 HydrophobicContact CB-CD2 4.28Å; F10-F33 HydrophobicContact CB-CE2 4.33Å
11K71.6Confident67.6Low99 Ų9974.6 Ų74.643%0.4336%0.364SS..Hα-helixtrans-68.1-36.1-179.6-170.257.8177.5174.30112.6T7 V8 A9 E14 N15T7-K11 WeakPolarHBondContact O-CB 3.34Å; T7-K11 PolarHBondContact O-N 3.45Å; V8-K11 PolarHBondContact O-N 3.35Å; A9-K11 VanDerWaalsContact C-N 3.32Å; A9-K11 PolarHBondContact O-N 3.46Å; K11-E14 VanDerWaalsContact CD-OE2 3.27Å; K11-E14 WeakPolarHBondContact CD-OE2 3.16Å; K11-E14 IonicContact NZ-OE2 3.62Å; K11-E14 PolarHBondContact NZ-OE2 3Å; K11-E14 PolarHBondContact O-N 3.37Å; K11-N15 WeakPolarHBondContact CE-OD1 3.34Å; K11-N15 PolarHBondContact NZ-OD1 3.2Å; K11-N15 WeakPolarHBondContact O-CB 3.49Å; K11-N15 PolarHBondContact O-N 3.41Å; K11-N15 PolarHBondContact O-ND2 3.29Å
12A70.5Confident69.3Low11 Ų1169.8 Ų69.89%0.09134%0.338CS..Hα-helixtrans-61.4-44.1174.800000111.6V8 A9 T16 Y59V8-A12 WeakPolarHBondContact O-CB 3.49Å; V8-A12 PolarHBondContact O-N 3.48Å; A9-A12 PolarHBondContact O-N 2.81Å; A12-T16 PolarHBondContact O-N 3.41Å; A12-T16 VanDerWaalsContact O-N 3.15Å; A12-T16 PolarHBondContact O-OG1 2.96Å; A12-Y59 HydrophobicContact CB-CD2 3.72Å; A12-Y59 HydrophobicContact CB-CE2 4.27Å; A12-Y59 HydrophobicContact CB-CG 4.12Å
13F72.5Confident71.1Confident52 Ų5268.3 Ų68.323%0.22833%0.331CS..Hα-helixtrans-67.4-36.8176.2-85.8-123.8000112.7A9 F10 T16 N17 L18 F19 I24 I29 F33A9-F13 WeakPolarHBondContact O-CD2 3.47Å; A9-F13 PolarHBondContact O-N 2.99Å; A9-F13 VanDerWaalsContact O-N 3.13Å; F10-F13 PolarHBondContact O-N 3.48Å; F13-T16 WeakPolarHBondContact CA-OG1 3.16Å; F13-T16 PolarHBondContact O-OG1 3.19Å; F13-N17 PolarHBondContact O-N 3.28Å; F13-L18 HydrophobicContact CD1-CB 4.12Å; F13-L18 HydrophobicContact CD1-CD1 4.17Å; F13-L18 HydrophobicContact CE1-CD1 4.37Å; F13-L18 HydrophobicContact CG-CD1 4.25Å; F13-L18 PolarHBondContact O-N 3.09Å; F13-F19 HydrophobicContact CB-CD1 4.04Å; F13-F19 HydrophobicContact CB-CD2 4.44Å; F13-F19 HydrophobicContact CB-CE1 3.36Å; F13-F19 HydrophobicContact CB-CE2 3.85Å; F13-F19 HydrophobicContact CB-CZ 3.27Å; F13-F19 HydrophobicContact CD1-CD1 4.18Å; F13-F19 AromaticContact CD1-CE1 3.73Å; F13-F19 HydrophobicContact CD1-CE1 3.73Å; F13-F19 HydrophobicContact CD1-CZ 4.47Å; F13-F19 AromaticContact CG-CE1 3.93Å; F13-F19 HydrophobicContact CG-CE1 3.93Å; F13-F19 HydrophobicContact CG-CZ 4.22Å; F13-I24 HydrophobicContact CD1-CD1 4.33Å; F13-I24 HydrophobicContact CE1-CD1 4.36Å; F13-I29 HydrophobicContact CE1-CD1 4.29Å; F13-F33 HydrophobicContact CD1-CZ 4.44Å; F13-F33 AromaticContact CD2-CZ 3.89Å; F13-F33 HydrophobicContact CD2-CZ 3.89Å; F13-F33 HydrophobicContact CE1-CZ 4.35Å; F13-F33 HydrophobicContact CE2-CE1 4.43Å; F13-F33 AromaticContact CE2-CZ 3.8Å; F13-F33 HydrophobicContact CE2-CZ 3.8Å; F13-F33 HydrophobicContact CG-CZ 4.23Å; F13-F33 HydrophobicContact CZ-CZ 4.04Å
14E72Confident71.9Confident93 Ų9362.4 Ų62.444%0.43531%0.31SS..Hα-helixtrans-64-49.3175.5-170.7-178.3-136.400111.1F10 K11 T16 N17 F19F10-E14 PolarHBondContact O-N 2.93Å; K11-E14 VanDerWaalsContact CD-OE2 3.27Å; K11-E14 WeakPolarHBondContact CD-OE2 3.16Å; K11-E14 IonicContact NZ-OE2 3.62Å; K11-E14 PolarHBondContact NZ-OE2 3Å; K11-E14 PolarHBondContact O-N 3.37Å; E14-T16 VanDerWaalsContact C-N 3.3Å; E14-T16 PolarHBondContact O-N 3.49Å; E14-N17 WeakPolarHBondContact O-CA 3.17Å; E14-N17 PolarHBondContact O-N 3.15Å; E14-F19 HydrophobicContact CB-CD2 4.21Å; E14-F19 HydrophobicContact CB-CE2 3.84Å
15N72.9Confident73Confident80 Ų8061.3 Ų61.343%0.42831%0.308SS..Hα-helixtrans-68.4-28.9-175.7-68-17.6000113.2K11 N17 Y59K11-N15 WeakPolarHBondContact CE-OD1 3.34Å; K11-N15 PolarHBondContact NZ-OD1 3.2Å; K11-N15 WeakPolarHBondContact O-CB 3.49Å; K11-N15 PolarHBondContact O-N 3.41Å; K11-N15 PolarHBondContact O-ND2 3.29Å; N15-N17 VanDerWaalsContact C-N 3.25Å; N15-Y59 HydrophobicContact CB-CE2 4.17Å; N15-Y59 WeakPolarHBondContact CB-OH 3.36Å; N15-Y59 PolarHBondContact ND2-OH 3.48Å
16T72.4Confident73.9Confident55 Ų5565.9 Ų65.934%0.33733%0.332SS..THydrogen-bonded Turntrans-83.91.3172.748.70000112.9A12 F13 E14 L18 Y59 T63A12-T16 PolarHBondContact O-N 3.41Å; A12-T16 VanDerWaalsContact O-N 3.15Å; A12-T16 PolarHBondContact O-OG1 2.96Å; F13-T16 WeakPolarHBondContact CA-OG1 3.16Å; F13-T16 PolarHBondContact O-OG1 3.19Å; E14-T16 VanDerWaalsContact C-N 3.3Å; E14-T16 PolarHBondContact O-N 3.49Å; T16-L18 PolarHBondContact O-N 3.32Å; T16-L18 VanDerWaalsContact O-N 3.14Å; T16-L18 WeakPolarHBondContact OG1-CD1 3.49Å; T16-L18 WeakPolarHBondContact OG1-CG 3.14Å; T16-Y59 HydrophobicContact CG2-CD2 4.26Å; T16-Y59 HydrophobicContact CG2-CE2 3.75Å; T16-T63 HydrophobicContact CG2-CG2 4.15Å
17N73.5Confident74.8Confident82 Ų8270.9 Ų70.944%0.43936%0.355SS..THydrogen-bonded Turntrans5919.6-178.4-169.857.4000113.6F13 E14 N15 F19 K20 T21F13-N17 PolarHBondContact O-N 3.28Å; E14-N17 WeakPolarHBondContact O-CA 3.17Å; E14-N17 PolarHBondContact O-N 3.15Å; N15-N17 VanDerWaalsContact C-N 3.25Å; N17-F19 VanDerWaalsContact C-N 3.31Å; N17-F19 PolarHBondContact O-N 3.16Å; N17-K20 PolarHBondContact O-N 3.26Å; N17-K20 WeakPolarHBondContact OD1-CB 3.45Å; N17-T21 PolarHBondContact ND2-OG1 3.01Å; N17-T21 WeakPolarHBondContact O-CB 3.18Å; N17-T21 PolarHBondContact O-N 2.87Å; N17-T21 PolarHBondContact O-OG1 2.83Å
18L73.3Confident75.7Confident52 Ų5268.8 Ų68.827%0.27234%0.339SS..Hα-helixtrans-62.9-36.9-175.8-70.3179.5000112.5F13 T16 K20 T21 F22F13-L18 HydrophobicContact CD1-CB 4.12Å; F13-L18 HydrophobicContact CD1-CD1 4.17Å; F13-L18 HydrophobicContact CE1-CD1 4.37Å; F13-L18 HydrophobicContact CG-CD1 4.25Å; F13-L18 PolarHBondContact O-N 3.09Å; T16-L18 PolarHBondContact O-N 3.32Å; T16-L18 VanDerWaalsContact O-N 3.14Å; T16-L18 WeakPolarHBondContact OG1-CD1 3.49Å; T16-L18 WeakPolarHBondContact OG1-CG 3.14Å; L18-K20 VanDerWaalsContact C-N 3.3Å; L18-K20 PolarHBondContact O-N 2.7Å; L18-T21 PolarHBondContact O-N 3.24Å; L18-F22 HydrophobicContact CB-CD2 4.41Å; L18-F22 HydrophobicContact CD2-CD2 4.01Å; L18-F22 HydrophobicContact CD2-CE2 3.62Å; L18-F22 PolarHBondContact O-N 2.85Å
19F74.2Confident76.5Confident22 Ų2267.4 Ų67.410%0.09633%0.331CS..Hα-helixtrans-56.1-46.1177.6-60.4-42.5000112.4F10 F13 E14 N17 Q23 I24 L26 I29F10-F19 HydrophobicContact CD1-CE2 4.12Å; F10-F19 HydrophobicContact CD1-CZ 4.27Å; F10-F19 HydrophobicContact CD2-CE2 4.37Å; F10-F19 AromaticContact CD2-CZ 3.83Å; F10-F19 HydrophobicContact CD2-CZ 3.83Å; F10-F19 AromaticContact CE1-CE2 3.85Å; F10-F19 HydrophobicContact CE1-CE2 3.85Å; F10-F19 HydrophobicContact CE1-CZ 4.27Å; F10-F19 HydrophobicContact CE2-CE2 4.12Å; F10-F19 AromaticContact CE2-CZ 3.84Å; F10-F19 HydrophobicContact CE2-CZ 3.84Å; F10-F19 HydrophobicContact CG-CE2 4.37Å; F10-F19 HydrophobicContact CG-CZ 4.05Å; F10-F19 AromaticContact CZ-CE2 3.85Å; F10-F19 HydrophobicContact CZ-CE2 3.85Å; F10-F19 HydrophobicContact CZ-CZ 4.07Å; F10-F19 WeakPolarHBondContact O-CE2 3.24Å; F10-F19 WeakPolarHBondContact O-CZ 3.45Å; F13-F19 HydrophobicContact CB-CD1 4.04Å; F13-F19 HydrophobicContact CB-CD2 4.44Å; F13-F19 HydrophobicContact CB-CE1 3.36Å; F13-F19 HydrophobicContact CB-CE2 3.85Å; F13-F19 HydrophobicContact CB-CZ 3.27Å; F13-F19 HydrophobicContact CD1-CD1 4.18Å; F13-F19 AromaticContact CD1-CE1 3.73Å; F13-F19 HydrophobicContact CD1-CE1 3.73Å; F13-F19 HydrophobicContact CD1-CZ 4.47Å; F13-F19 AromaticContact CG-CE1 3.93Å; F13-F19 HydrophobicContact CG-CE1 3.93Å; F13-F19 HydrophobicContact CG-CZ 4.22Å; E14-F19 HydrophobicContact CB-CD2 4.21Å; E14-F19 HydrophobicContact CB-CE2 3.84Å; N17-F19 VanDerWaalsContact C-N 3.31Å; N17-F19 PolarHBondContact O-N 3.16Å; F19-Q23 CarbonylContact O-C 3.5Å; F19-Q23 VanDerWaalsContact O-CA 3.29Å; F19-Q23 WeakPolarHBondContact O-CA 3.46Å; F19-Q23 PolarHBondContact O-N 3.48Å; F19-I24 HydrophobicContact CD1-CB 4.19Å; F19-I24 HydrophobicContact CD1-CD1 4.38Å; F19-I24 HydrophobicContact CD1-CG2 4.19Å; F19-I24 PolarHBondContact O-N 2.93Å; F19-L26 HydrophobicContact CB-CD2 4.12Å; F19-L26 HydrophobicContact CD1-CD2 4.05Å; F19-L26 HydrophobicContact CD2-CD2 3.88Å; F19-L26 HydrophobicContact CE1-CD2 4.41Å; F19-L26 HydrophobicContact CE2-CD2 4.24Å; F19-L26 HydrophobicContact CG-CD2 3.77Å; F19-L26 HydrophobicContact CZ-CD2 4.49Å; F19-I29 HydrophobicContact CD1-CG2 4.42Å; F19-I29 HydrophobicContact CE1-CB 4.47Å; F19-I29 HydrophobicContact CE1-CG1 4.1Å; F19-I29 HydrophobicContact CE1-CG2 3.79Å; F19-I29 HydrophobicContact CZ-CG2 4.38Å
20K74.1Confident77.2Confident160 Ų16070.8 Ų70.870%0.69635%0.345SS*.Hα-helixtrans-75.7-43.1-180-175.1178.5177.5-177.40111.4N17 L18 F22 Q23N17-K20 PolarHBondContact O-N 3.26Å; N17-K20 WeakPolarHBondContact OD1-CB 3.45Å; L18-K20 VanDerWaalsContact C-N 3.3Å; L18-K20 PolarHBondContact O-N 2.7Å; K20-F22 VanDerWaalsContact C-N 3.3Å; K20-F22 PolarHBondContact O-N 3.3Å; K20-Q23 PolarHBondContact O-N 3.03Å
21T70.2Confident77.9Confident84 Ų8470.5 Ų70.552%0.51535%0.346SS..Hα-helixtrans-58.1-43.4-178.8-60.80000111.6N17 L18N17-T21 PolarHBondContact ND2-OG1 3.01Å; N17-T21 WeakPolarHBondContact O-CB 3.18Å; N17-T21 PolarHBondContact O-N 2.87Å; N17-T21 PolarHBondContact O-OG1 2.83Å; L18-T21 PolarHBondContact O-N 3.24Å
22F74Confident78.6Confident92 Ų9266.7 Ų66.740%0.40433%0.33SS..THydrogen-bonded Turntrans-103.75.7-176.7-64.3-53.5000114.3L18 K20 I24 L129L18-F22 HydrophobicContact CB-CD2 4.41Å; L18-F22 HydrophobicContact CD2-CD2 4.01Å; L18-F22 HydrophobicContact CD2-CE2 3.62Å; L18-F22 PolarHBondContact O-N 2.85Å; K20-F22 VanDerWaalsContact C-N 3.3Å; K20-F22 PolarHBondContact O-N 3.3Å; F22-I24 VanDerWaalsContact C-N 3.27Å; F22-I24 HydrophobicContact CB-CD1 4.07Å; F22-I24 HydrophobicContact CB-CG1 3.8Å; F22-I24 PolarHBondContact O-N 2.98Å; F22-L129 HydrophobicContact CB-CD2 3.67Å; F22-L129 HydrophobicContact CD1-CD2 3.25Å; F22-L129 HydrophobicContact CD2-CD2 4.15Å; F22-L129 HydrophobicContact CE1-CD2 3.84Å; F22-L129 HydrophobicContact CG-CD2 3.44Å; F22-L129 VanDerWaalsContact CG-CD2 3.44Å; F22-L129 HydrophobicContact CZ-CD2 4.47Å
23Q78.6Confident79.3Confident142 Ų14266.5 Ų66.566%0.66433%0.327SS*.THydrogen-bonded Turntrans51.348.3-178.6-55.8-178.9-0.600111.7F19 K20 N128F19-Q23 CarbonylContact O-C 3.5Å; F19-Q23 VanDerWaalsContact O-CA 3.29Å; F19-Q23 WeakPolarHBondContact O-CA 3.46Å; F19-Q23 PolarHBondContact O-N 3.48Å; K20-Q23 PolarHBondContact O-N 3.03Å; Q23-N128 PolarHBondContact O-ND2 3.33Å
24I77.9Confident79.9Confident16 Ų1667 Ų678%0.08233%0.33CS..  trans-76.4130.8-178-62.8175.7000109.1F13 F19 F22 L26 I29 F125F13-I24 HydrophobicContact CD1-CD1 4.33Å; F13-I24 HydrophobicContact CE1-CD1 4.36Å; F19-I24 HydrophobicContact CD1-CB 4.19Å; F19-I24 HydrophobicContact CD1-CD1 4.38Å; F19-I24 HydrophobicContact CD1-CG2 4.19Å; F19-I24 PolarHBondContact O-N 2.93Å; F22-I24 VanDerWaalsContact C-N 3.27Å; F22-I24 HydrophobicContact CB-CD1 4.07Å; F22-I24 HydrophobicContact CB-CG1 3.8Å; F22-I24 PolarHBondContact O-N 2.98Å; I24-L26 PolarHBondContact O-N 3.29Å; I24-I29 HydrophobicContact CG2-CB 3.86Å; I24-I29 HydrophobicContact CG2-CG1 4.41Å; I24-I29 HydrophobicContact CG2-CG2 4.2Å; I24-F125 HydrophobicContact CD1-CD2 4.21Å; I24-F125 HydrophobicContact CD1-CE2 4.42Å; I24-F125 HydrophobicContact CG1-CD2 4.38Å; I24-F125 HydrophobicContact CG2-CB 4Å; I24-F125 HydrophobicContact CG2-CD2 3.93Å; I24-F125 HydrophobicContact CG2-CG 4.27Å
25D85.9Confident80.8Confident69 Ų6965.6 Ų65.637%0.36932%0.323SS..  trans-67.3120.4172.2-176.1-65.7000110.5Q27 K28 I29D25-Q27 VanDerWaalsContact C-N 3.29Å; D25-Q27 PolarHBondContact O-N 3.43Å; D25-Q27 WeakPolarHBondContact OD1-CA 3.29Å; D25-Q27 VanDerWaalsContact OD1-CB 3.28Å; D25-Q27 WeakPolarHBondContact OD1-CB 3.39Å; D25-Q27 PolarHBondContact OD1-N 3.49Å; D25-K28 HydrophobicContact CB-CB 4.09Å; D25-K28 HydrophobicContact CB-CD 4Å; D25-K28 HydrophobicContact CB-CG 3.96Å; D25-K28 PolarHBondContact O-N 2.95Å; D25-K28 PolarHBondContact OD1-N 3.22Å; D25-I29 PolarHBondContact O-N 2.86Å
26L86.9Confident81.4Confident95 Ų9561.9 Ų61.950%0.49730%0.303SS..Hα-helixtrans-66.4-30.1-175.9-64.9-178.5000112.9F10 F19 I24 I29 F30F10-L26 HydrophobicContact CE2-CD2 4.33Å; F10-L26 HydrophobicContact CZ-CD2 4.14Å; F19-L26 HydrophobicContact CB-CD2 4.12Å; F19-L26 HydrophobicContact CD1-CD2 4.05Å; F19-L26 HydrophobicContact CD2-CD2 3.88Å; F19-L26 HydrophobicContact CE1-CD2 4.41Å; F19-L26 HydrophobicContact CE2-CD2 4.24Å; F19-L26 HydrophobicContact CG-CD2 3.77Å; F19-L26 HydrophobicContact CZ-CD2 4.49Å; I24-L26 PolarHBondContact O-N 3.29Å; L26-I29 WeakPolarHBondContact O-CG2 3.26Å; L26-F30 WeakPolarHBondContact O-CB 3.4Å; L26-F30 PolarHBondContact O-N 3.4Å; L26-F30 VanDerWaalsContact O-N 3.12Å
27Q90.3Very high81.9Confident116 Ų11660 Ų6054%0.54229%0.291SS..Hα-helixtrans-73.3-42.8177.5-173.961.865.300110.5D25 F30 N31D25-Q27 VanDerWaalsContact C-N 3.29Å; D25-Q27 PolarHBondContact O-N 3.43Å; D25-Q27 WeakPolarHBondContact OD1-CA 3.29Å; D25-Q27 VanDerWaalsContact OD1-CB 3.28Å; D25-Q27 WeakPolarHBondContact OD1-CB 3.39Å; D25-Q27 PolarHBondContact OD1-N 3.49Å; Q27-F30 PolarHBondContact O-N 3.06Å; Q27-N31 PolarHBondContact NE2-OD1 3.25Å; Q27-N31 PolarHBondContact O-N 2.98Å; Q27-N31 PolarHBondContact O-ND2 3.25Å; Q27-N31 PolarHBondContact O-OD1 3.3Å
28K87.3Confident82.5Confident41 Ų4160.2 Ų60.218%0.17830%0.295CS..Hα-helixtrans-64.4-45.4178-66.2-175.1-179.2175.30112.1D25 F30 N31 F32 E122 F125 E127D25-K28 HydrophobicContact CB-CB 4.09Å; D25-K28 HydrophobicContact CB-CD 4Å; D25-K28 HydrophobicContact CB-CG 3.96Å; D25-K28 PolarHBondContact O-N 2.95Å; D25-K28 PolarHBondContact OD1-N 3.22Å; K28-F30 VanDerWaalsContact C-N 3.32Å; K28-F30 PolarHBondContact O-N 2.98Å; K28-N31 PolarHBondContact O-N 3.36Å; K28-F32 WeakPolarHBondContact O-CB 3.37Å; K28-F32 PolarHBondContact O-N 2.95Å; K28-E122 WeakPolarHBondContact CA-O 3.16Å; K28-F125 HydrophobicContact CB-CB 4.06Å; K28-E127 IonicContact NZ-OE1 3.25Å; K28-E127 PolarHBondContact NZ-OE1 3.49Å; K28-E127 IonicContact NZ-OE2 2.76Å; K28-E127 PolarHBondContact NZ-OE2 3.05Å
29I83.4Confident82.9Confident0 Ų058.7 Ų58.70%029%0.292CS..Hα-helixtrans-67.1-36.1178.4-165.271.6000111.7F10 F13 F19 I24 D25 L26 F32 F33 F125F10-I29 HydrophobicContact CE2-CG2 4.29Å; F13-I29 HydrophobicContact CE1-CD1 4.29Å; F19-I29 HydrophobicContact CD1-CG2 4.42Å; F19-I29 HydrophobicContact CE1-CB 4.47Å; F19-I29 HydrophobicContact CE1-CG1 4.1Å; F19-I29 HydrophobicContact CE1-CG2 3.79Å; F19-I29 HydrophobicContact CZ-CG2 4.38Å; I24-I29 HydrophobicContact CG2-CB 3.86Å; I24-I29 HydrophobicContact CG2-CG1 4.41Å; I24-I29 HydrophobicContact CG2-CG2 4.2Å; D25-I29 PolarHBondContact O-N 2.86Å; L26-I29 WeakPolarHBondContact O-CG2 3.26Å; I29-F32 HydrophobicContact CD1-CD1 4.21Å; I29-F32 PolarHBondContact O-N 3.14Å; I29-F33 HydrophobicContact CD1-CE1 4.12Å; I29-F33 HydrophobicContact CD1-CE2 4.07Å; I29-F33 HydrophobicContact CD1-CZ 3.76Å; I29-F33 HydrophobicContact CG1-CD2 3.96Å; I29-F33 HydrophobicContact CG1-CE1 4.36Å; I29-F33 HydrophobicContact CG1-CE2 3.44Å; I29-F33 VanDerWaalsContact CG1-CE2 3.44Å; I29-F33 HydrophobicContact CG1-CZ 3.67Å; I29-F33 PolarHBondContact O-N 3.02Å; I29-F125 HydrophobicContact CD1-CD1 3.44Å; I29-F125 VanDerWaalsContact CD1-CD1 3.44Å; I29-F125 HydrophobicContact CD1-CD2 3.77Å; I29-F125 HydrophobicContact CD1-CE1 3.4Å; I29-F125 HydrophobicContact CD1-CE2 3.73Å; I29-F125 HydrophobicContact CD1-CG 3.65Å; I29-F125 HydrophobicContact CD1-CZ 3.55Å
30F85.4Confident83.2Confident72 Ų7258.6 Ų58.632%0.31629%0.291SS..Hα-helixtrans-61.6-46.7173.4-179.6-89000111.3E6 L26 Q27 K28 F32 F33 H34E6-F30 WeakPolarHBondContact OE1-CE2 3.4Å; E6-F30 WeakPolarHBondContact OE1-CZ 3.3Å; L26-F30 WeakPolarHBondContact O-CB 3.4Å; L26-F30 PolarHBondContact O-N 3.4Å; L26-F30 VanDerWaalsContact O-N 3.12Å; Q27-F30 PolarHBondContact O-N 3.06Å; K28-F30 VanDerWaalsContact C-N 3.32Å; K28-F30 PolarHBondContact O-N 2.98Å; F30-F32 VanDerWaalsContact C-N 3.31Å; F30-F32 PolarHBondContact O-N 3.06Å; F30-F33 PolarHBondContact O-N 3.25Å; F30-H34 VanDerWaalsContact O-CB 3.25Å; F30-H34 WeakPolarHBondContact O-CB 3.39Å; F30-H34 PolarHBondContact O-N 3.39Å
31N89.6Confident82.8Confident47 Ų4757.4 Ų57.425%0.25128%0.282SS..Hα-helixtrans-60.4-42.2175.4-64.8-14.7000111.5Q27 K28 H34 E35 E122Q27-N31 PolarHBondContact NE2-OD1 3.25Å; Q27-N31 PolarHBondContact O-N 2.98Å; Q27-N31 PolarHBondContact O-ND2 3.25Å; Q27-N31 PolarHBondContact O-OD1 3.3Å; K28-N31 PolarHBondContact O-N 3.36Å; N31-H34 WeakPolarHBondContact O-CB 3.39Å; N31-H34 PolarHBondContact O-N 3.47Å; N31-E35 WeakPolarHBondContact O-CG 3.47Å; N31-E35 PolarHBondContact O-N 3.24Å; N31-E122 PolarHBondContact ND2-O 2.63Å
32F84.9Confident82.8Confident20 Ų2060.4 Ų60.49%0.08830%0.296CS..Hα-helixtrans-60.3-54.3176.9174.6-98.4000111.8K28 I29 F30 H34 E35 I36 V117 L118 N123 F125K28-F32 WeakPolarHBondContact O-CB 3.37Å; K28-F32 PolarHBondContact O-N 2.95Å; I29-F32 HydrophobicContact CD1-CD1 4.21Å; I29-F32 PolarHBondContact O-N 3.14Å; F30-F32 VanDerWaalsContact C-N 3.31Å; F30-F32 PolarHBondContact O-N 3.06Å; F32-H34 VanDerWaalsContact C-N 3.26Å; F32-H34 PolarHBondContact O-N 3.28Å; F32-E35 PolarHBondContact O-N 2.92Å; F32-E35 VanDerWaalsContact O-N 3.15Å; F32-I36 HydrophobicContact CD1-CG1 4.31Å; F32-I36 HydrophobicContact CE1-CG1 3.86Å; F32-I36 HydrophobicContact CE2-CD1 4.11Å; F32-I36 HydrophobicContact CE2-CG1 4.13Å; F32-I36 HydrophobicContact CZ-CD1 3.91Å; F32-I36 HydrophobicContact CZ-CG1 3.75Å; F32-I36 WeakPolarHBondContact O-CG1 3.47Å; F32-I36 PolarHBondContact O-N 3.34Å; F32-V117 HydrophobicContact CD2-CG1 3.92Å; F32-V117 HydrophobicContact CE2-CB 4.47Å; F32-V117 HydrophobicContact CE2-CG1 4.1Å; F32-L118 HydrophobicContact CE2-CB 4.16Å; F32-N123 HydrophobicContact CB-CB 4.39Å; F32-N123 HydrophobicContact CD2-CB 4.41Å; F32-F125 HydrophobicContact CB-CD1 4.24Å; F32-F125 HydrophobicContact CB-CE1 4.4Å; F32-F125 HydrophobicContact CD1-CD1 4.44Å; F32-F125 AromaticContact CD1-CE1 3.79Å; F32-F125 HydrophobicContact CD1-CE1 3.79Å; F32-F125 HydrophobicContact CD2-CE1 4.25Å; F32-F125 HydrophobicContact CE1-CE1 4.12Å; F32-F125 HydrophobicContact CG-CD1 4.18Å; F32-F125 AromaticContact CG-CE1 3.87Å; F32-F125 HydrophobicContact CG-CE1 3.87Å; F32-F125 HydrophobicContact CZ-CE1 4.49Å
33F85.1Confident81.8Confident7 Ų758.3 Ų58.33%0.03129%0.288CS..Hα-helixtrans-62-35.8178.4-67.5-33.5000112.3E6 A9 F10 F13 I29 F30 I36 E37E6-F33 HydrophobicContact CB-CB 4.33Å; E6-F33 HydrophobicContact CG-CB 3.87Å; A9-F33 HydrophobicContact CB-CD1 3.83Å; A9-F33 HydrophobicContact CB-CD2 3.99Å; A9-F33 HydrophobicContact CB-CE1 3.75Å; A9-F33 HydrophobicContact CB-CE2 3.89Å; A9-F33 HydrophobicContact CB-CG 3.98Å; A9-F33 HydrophobicContact CB-CZ 3.79Å; F10-F33 HydrophobicContact CB-CD2 4.28Å; F10-F33 HydrophobicContact CB-CE2 4.33Å; F13-F33 HydrophobicContact CD1-CZ 4.44Å; F13-F33 AromaticContact CD2-CZ 3.89Å; F13-F33 HydrophobicContact CD2-CZ 3.89Å; F13-F33 HydrophobicContact CE1-CZ 4.35Å; F13-F33 HydrophobicContact CE2-CE1 4.43Å; F13-F33 AromaticContact CE2-CZ 3.8Å; F13-F33 HydrophobicContact CE2-CZ 3.8Å; F13-F33 HydrophobicContact CG-CZ 4.23Å; F13-F33 HydrophobicContact CZ-CZ 4.04Å; I29-F33 HydrophobicContact CD1-CE1 4.12Å; I29-F33 HydrophobicContact CD1-CE2 4.07Å; I29-F33 HydrophobicContact CD1-CZ 3.76Å; I29-F33 HydrophobicContact CG1-CD2 3.96Å; I29-F33 HydrophobicContact CG1-CE1 4.36Å; I29-F33 HydrophobicContact CG1-CE2 3.44Å; I29-F33 VanDerWaalsContact CG1-CE2 3.44Å; I29-F33 HydrophobicContact CG1-CZ 3.67Å; I29-F33 PolarHBondContact O-N 3.02Å; F30-F33 PolarHBondContact O-N 3.25Å; F33-I36 PolarHBondContact O-N 2.87Å; F33-E37 PolarHBondContact O-N 3.4Å
34H87.1Confident80Confident62 Ų6258 Ų5829%0.28730%0.298SS..Hα-helixtrans-60.4-47.5173.6-170.966000112E6 F30 N31 F32 I36 E37 T38E6-H34 IonicContact OE2-CG 3.31Å; E6-H34 IonicContact OE2-ND1 3.65Å; E6-H34 PolarHBondContact OE2-ND1 3.49Å; F30-H34 VanDerWaalsContact O-CB 3.25Å; F30-H34 WeakPolarHBondContact O-CB 3.39Å; F30-H34 PolarHBondContact O-N 3.39Å; N31-H34 WeakPolarHBondContact O-CB 3.39Å; N31-H34 PolarHBondContact O-N 3.47Å; F32-H34 VanDerWaalsContact C-N 3.26Å; F32-H34 PolarHBondContact O-N 3.28Å; H34-I36 VanDerWaalsContact C-N 3.31Å; H34-I36 PolarHBondContact O-N 3.49Å; H34-E37 PolarHBondContact O-N 3.42Å; H34-T38 VanDerWaalsContact O-CG2 3.29Å; H34-T38 WeakPolarHBondContact O-CG2 3.4Å; H34-T38 PolarHBondContact O-N 2.9Å; H34-T38 PolarHBondContact O-OG1 2.93Å
35E89.2Confident78.3Confident64 Ų6464.3 Ų64.330%0.29932%0.322SS..Hα-helixtrans-63.6-37.3177.1-72.7-70.9120.400111.7N31 F32 T38 G39 V117 R120N31-E35 WeakPolarHBondContact O-CG 3.47Å; N31-E35 PolarHBondContact O-N 3.24Å; F32-E35 PolarHBondContact O-N 2.92Å; F32-E35 VanDerWaalsContact O-N 3.15Å; E35-T38 WeakPolarHBondContact CA-OG1 3.41Å; E35-T38 PolarHBondContact O-N 3.43Å; E35-T38 PolarHBondContact O-OG1 3.47Å; E35-G39 PolarHBondContact O-N 2.9Å; E35-V117 HydrophobicContact CB-CG1 3.73Å; E35-V117 HydrophobicContact CG-CG1 4.48Å; E35-R120 IonicContact OE2-CZ 2.64Å; E35-R120 IonicContact OE2-NH1 2.87Å; E35-R120 PolarHBondContact OE2-NH1 3.42Å
36I85.3Confident77Confident1 Ų163.7 Ų63.71%0.00532%0.317CS..Hα-helixtrans-63.3-49.1173.2-64.5-59.2000111F32 F33 H34 T38 G39 Y40 I76 H79F32-I36 HydrophobicContact CD1-CG1 4.31Å; F32-I36 HydrophobicContact CE1-CG1 3.86Å; F32-I36 HydrophobicContact CE2-CD1 4.11Å; F32-I36 HydrophobicContact CE2-CG1 4.13Å; F32-I36 HydrophobicContact CZ-CD1 3.91Å; F32-I36 HydrophobicContact CZ-CG1 3.75Å; F32-I36 WeakPolarHBondContact O-CG1 3.47Å; F32-I36 PolarHBondContact O-N 3.34Å; F33-I36 PolarHBondContact O-N 2.87Å; H34-I36 VanDerWaalsContact C-N 3.31Å; H34-I36 PolarHBondContact O-N 3.49Å; I36-T38 VanDerWaalsContact C-N 3.3Å; I36-T38 PolarHBondContact O-N 2.87Å; I36-G39 PolarHBondContact O-N 3.27Å; I36-Y40 HydrophobicContact CG2-CE2 3.84Å; I36-Y40 VanDerWaalsContact O-CD2 3.31Å; I36-Y40 WeakPolarHBondContact O-CD2 3.43Å; I36-I76 HydrophobicContact CD1-CG2 4.11Å; I36-H79 VanDerWaalsContact CD1-CD2 3.43Å; I36-H79 WeakPolarHBondContact CD1-CD2 3.29Å
37E83.6Confident76Confident17 Ų1760.5 Ų60.58%0.07930%0.3CS..Hα-helixtrans-60.7-38.9179.3-171.5168.7-159.800111.5F4 E5 E6 F33 H34 G39 Y40 R48F4-E37 PolarHBondContact N-OE1 2.64Å; E5-E37 HydrophobicContact CB-CB 4.49Å; E5-E37 HydrophobicContact CB-CG 4.18Å; E5-E37 PolarHBondContact N-OE1 3.44Å; E6-E37 HydrophobicContact CB-CB 4.48Å; E6-E37 VanDerWaalsContact CB-OE2 3.26Å; E6-E37 WeakPolarHBondContact CB-OE2 3.31Å; F33-E37 PolarHBondContact O-N 3.4Å; H34-E37 PolarHBondContact O-N 3.42Å; E37-G39 VanDerWaalsContact C-N 3.29Å; E37-G39 PolarHBondContact O-N 2.91Å; E37-Y40 PolarHBondContact O-N 2.81Å; E37-R48 HydrophobicContact CG-CB 4.1Å; E37-R48 VanDerWaalsContact OE1-CD 3.26Å; E37-R48 WeakPolarHBondContact OE1-CD 3.45Å
38T86.1Confident75.3Confident85 Ų8557.4 Ų57.452%0.52128%0.284SS..Hα-helixtrans-70-24.2175.963.80000113.6H34 E35 I36 Y40H34-T38 VanDerWaalsContact O-CG2 3.29Å; H34-T38 WeakPolarHBondContact O-CG2 3.4Å; H34-T38 PolarHBondContact O-N 2.9Å; H34-T38 PolarHBondContact O-OG1 2.93Å; E35-T38 WeakPolarHBondContact CA-OG1 3.41Å; E35-T38 PolarHBondContact O-N 3.43Å; E35-T38 PolarHBondContact O-OG1 3.47Å; I36-T38 VanDerWaalsContact C-N 3.3Å; I36-T38 PolarHBondContact O-N 2.87Å; T38-Y40 VanDerWaalsContact C-N 3.26Å; T38-Y40 PolarHBondContact O-N 3.41Å
39G82.5Confident74.4Confident21 Ų2158.2 Ų58.222%0.21629%0.292CS..Hα-helixtrans-68.1-23.3173.900000113.4E35 I36 E37 R41E35-G39 PolarHBondContact O-N 2.9Å; I36-G39 PolarHBondContact O-N 3.27Å; E37-G39 VanDerWaalsContact C-N 3.29Å; E37-G39 PolarHBondContact O-N 2.91Å; G39-R41 PolarHBondContact O-N 2.9Å
40Y79.5Confident73.3Confident20 Ų2059.8 Ų59.88%0.07830%0.299CS..SBendtrans-75.1118.2175.1-71.6-74.1000111.5E5 I36 E37 T38 R48 A51 A75 D78E5-Y40 HydrophobicContact CG-CE2 4.41Å; I36-Y40 HydrophobicContact CG2-CE2 3.84Å; I36-Y40 VanDerWaalsContact O-CD2 3.31Å; I36-Y40 WeakPolarHBondContact O-CD2 3.43Å; E37-Y40 PolarHBondContact O-N 2.81Å; T38-Y40 VanDerWaalsContact C-N 3.26Å; T38-Y40 PolarHBondContact O-N 3.41Å; Y40-R48 HydrophobicContact CD2-CB 4.2Å; Y40-R48 HydrophobicContact CG-CB 4.23Å; Y40-A51 HydrophobicContact CD1-CB 4.46Å; Y40-A51 HydrophobicContact CD2-CB 4.41Å; Y40-A51 HydrophobicContact CE1-CB 3.72Å; Y40-A51 HydrophobicContact CE2-CB 3.65Å; Y40-A51 VanDerWaalsContact OH-CB 3.27Å; Y40-A51 WeakPolarHBondContact OH-CB 3.48Å; Y40-A75 PolarHBondContact OH-O 3.45Å; Y40-D78 HydrophobicContact CE1-CB 3.98Å
41R66Low72.4Confident134 Ų13456.4 Ų56.451%0.50628%0.284SS..  trans-75.1154.8174.2-59.7179.8-165.8172.89.3110.4G39 L43 D80G39-R41 PolarHBondContact O-N 2.9Å; R41-L43 HydrophobicContact CB-CD1 4.42Å; R41-L43 HydrophobicContact CB-CG 4.05Å; R41-L43 PolarHBondContact O-N 3.26Å; R41-D80 IonicContact CZ-OD1 3.78Å; R41-D80 IonicContact NH2-OD1 2.74Å; R41-D80 PolarHBondContact NH2-OD1 2.75Å
42D69.3Low71.3Confident148 Ų14854.2 Ų54.279%0.79127%0.273SS*.  trans-74.177.3175.9-164.722.7000110.8
43L54.3Low70.1Confident47 Ų4757.3 Ų57.325%0.24629%0.29CS..  trans-104.8151.1179.7-62.4177.8000110.6R41 Y45 N47R41-L43 HydrophobicContact CB-CD1 4.42Å; R41-L43 HydrophobicContact CB-CG 4.05Å; R41-L43 PolarHBondContact O-N 3.26Å; L43-Y45 PolarHBondContact O-N 3.33Å; L43-N47 WeakPolarHBondContact O-CB 3.29Å; L43-N47 PolarHBondContact O-ND2 3.38Å
44P40.6Very low69.1Low135 Ų13558.8 Ų58.888%0.87730%0.3SS*.SBendtrans-60.2-27.9-179.6-27.435.6000115.6
45Y41.6Very low68.1Low149 Ų14956.3 Ų56.358%0.58429%0.289SS*.SBendtrans-123.1-68.3-175.4-173.8-104.2000112.6L43 N47 H50L43-Y45 PolarHBondContact O-N 3.33Å; Y45-N47 PolarHBondContact O-N 2.88Å; Y45-N47 PolarHBondContact O-ND2 3.48Å; Y45-H50 WeakPolarHBondContact O-CB 3.5Å
46H59.1Low66.8Low56 Ų5658.4 Ų58.426%0.25930%0.298SS..SBendtrans-7669.5178.8-50.7110.8000112.1D78 H81H46-D78 IonicContact CD2-OD2 3.9Å; H46-D78 PolarHBondContact CD2-OD2 2.87Å; H46-D78 IonicContact CG-OD2 2.95Å; H46-H81 AromaticContact ND1-CE1 3.83Å; H46-H81 AromaticContact ND1-ND1 3.91Å
47N66.3Low65.2Low28 Ų2860.6 Ų60.615%0.1532%0.317CS..SBendtrans-119175.2176.262.256.6000110.3L43 Y45 V49 H50 A51L43-N47 WeakPolarHBondContact O-CB 3.29Å; L43-N47 PolarHBondContact O-ND2 3.38Å; Y45-N47 PolarHBondContact O-N 2.88Å; Y45-N47 PolarHBondContact O-ND2 3.48Å; N47-V49 PolarHBondContact O-N 3.32Å; N47-V49 VanDerWaalsContact O-N 3.07Å; N47-V49 WeakPolarHBondContact OD1-CA 3.46Å; N47-V49 WeakPolarHBondContact OD1-CB 2.98Å; N47-V49 PolarHBondContact OD1-N 3.07Å; N47-H50 WeakPolarHBondContact O-CB 3.43Å; N47-H50 PolarHBondContact O-N 3.16Å; N47-H50 PolarHBondContact OD1-N 3.16Å; N47-A51 PolarHBondContact O-N 3.38Å; N47-A51 VanDerWaalsContact O-N 3.15Å
48R75.3Confident64Low51 Ų5160.3 Ų60.319%0.19232%0.316CS..Hα-helixtrans-52.4-30.4178.258-178.5154.872.515.1114.7M1 E5 E37 Y40 S52M1-R48 PolarHBondContact SD-NH2 2.94Å; M1-R48 VanDerWaalsContact SD-NH2 3.44Å; E5-R48 HydrophobicContact CB-CB 4.21Å; E37-R48 HydrophobicContact CG-CB 4.1Å; E37-R48 VanDerWaalsContact OE1-CD 3.26Å; E37-R48 WeakPolarHBondContact OE1-CD 3.45Å; Y40-R48 HydrophobicContact CD2-CB 4.2Å; Y40-R48 HydrophobicContact CG-CB 4.23Å; R48-S52 PolarHBondContact O-N 3.11Å; R48-S52 PolarHBondContact O-OG 2.99Å
49V68.1Low62.6Low58 Ų5858.5 Ų58.535%0.35230%0.3SS..Hα-helixtrans-68.3-46.3177.4-175.60000109.9N47 A51 S52 D53N47-V49 PolarHBondContact O-N 3.32Å; N47-V49 VanDerWaalsContact O-N 3.07Å; N47-V49 WeakPolarHBondContact OD1-CA 3.46Å; N47-V49 WeakPolarHBondContact OD1-CB 2.98Å; N47-V49 PolarHBondContact OD1-N 3.07Å; V49-A51 PolarHBondContact O-N 3.32Å; V49-S52 WeakPolarHBondContact O-CB 3.46Å; V49-S52 PolarHBondContact O-N 3.29Å; V49-S52 VanDerWaalsContact O-N 3.16Å; V49-D53 PolarHBondContact O-N 3.32Å
50H61.2Low61.3Low34 Ų3462.1 Ų62.116%0.15731%0.31CS..Hα-helixtrans-58.3-46.5175.1175.658.3000112.2Y45 N47 S52 D53 V54 H77 D78Y45-H50 WeakPolarHBondContact O-CB 3.5Å; N47-H50 WeakPolarHBondContact O-CB 3.43Å; N47-H50 PolarHBondContact O-N 3.16Å; N47-H50 PolarHBondContact OD1-N 3.16Å; H50-S52 VanDerWaalsContact C-N 3.26Å; H50-S52 PolarHBondContact O-N 3.31Å; H50-D53 PolarHBondContact O-N 2.95Å; H50-D53 VanDerWaalsContact O-N 3.12Å; H50-V54 WeakPolarHBondContact O-CG2 3.33Å; H50-V54 PolarHBondContact O-N 3Å; H50-H77 AromaticContact NE2-NE2 3.89Å; H50-D78 IonicContact CD2-OD2 3.56Å
51A65.8Low59.9Low0 Ų063.8 Ų63.80%032%0.32CS..Hα-helixtrans-57.2-40.7176.400000112.4E5 Y40 N47 V49 L55E5-A51 HydrophobicContact CG-CB 4.04Å; Y40-A51 HydrophobicContact CD1-CB 4.46Å; Y40-A51 HydrophobicContact CD2-CB 4.41Å; Y40-A51 HydrophobicContact CE1-CB 3.72Å; Y40-A51 HydrophobicContact CE2-CB 3.65Å; Y40-A51 VanDerWaalsContact OH-CB 3.27Å; Y40-A51 WeakPolarHBondContact OH-CB 3.48Å; N47-A51 PolarHBondContact O-N 3.38Å; N47-A51 VanDerWaalsContact O-N 3.15Å; V49-A51 PolarHBondContact O-N 3.32Å; A51-L55 WeakPolarHBondContact O-CB 3.28Å; A51-L55 PolarHBondContact O-N 3.36Å
52S67.4Low59.3Low1 Ų161 Ų611%0.00732%0.318CS..Hα-helixtrans-64.9-42.3175.9-51.20000112.5F4 E5 R48 V49 H50 L55 H56F4-S52 VanDerWaalsContact CD1-OG 3.27Å; F4-S52 WeakPolarHBondContact CD1-OG 3.27Å; E5-S52 WeakPolarHBondContact CA-OG 3.44Å; E5-S52 WeakPolarHBondContact CB-OG 3.28Å; E5-S52 PolarHBondContact N-OG 2.88Å; R48-S52 PolarHBondContact O-N 3.11Å; R48-S52 PolarHBondContact O-OG 2.99Å; V49-S52 WeakPolarHBondContact O-CB 3.46Å; V49-S52 PolarHBondContact O-N 3.29Å; V49-S52 VanDerWaalsContact O-N 3.16Å; H50-S52 VanDerWaalsContact C-N 3.26Å; H50-S52 PolarHBondContact O-N 3.31Å; S52-L55 PolarHBondContact O-N 2.96Å; S52-H56 VanDerWaalsContact O-CB 3.28Å; S52-H56 WeakPolarHBondContact O-CB 3.45Å; S52-H56 PolarHBondContact O-N 2.9Å
53D58.7Low58.6Low86 Ų8656.8 Ų56.846%0.4630%0.298SS..Hα-helixtrans-64.1-43.7179.6-71.5-23.2000111V49 H50 H56 A57V49-D53 PolarHBondContact O-N 3.32Å; H50-D53 PolarHBondContact O-N 2.95Å; H50-D53 VanDerWaalsContact O-N 3.12Å; D53-H56 PolarHBondContact O-N 2.88Å; D53-A57 WeakPolarHBondContact O-CB 3.27Å; D53-A57 PolarHBondContact O-N 3.43Å
54V63.2Low58.2Low38 Ų3859.1 Ų59.123%0.2331%0.307CS..Hα-helixtrans-64-48.8176.1175.20000110.6H50 H56 A57 C58H50-V54 WeakPolarHBondContact O-CG2 3.33Å; H50-V54 PolarHBondContact O-N 3Å; V54-H56 VanDerWaalsContact C-N 3.3Å; V54-H56 PolarHBondContact O-N 3.42Å; V54-A57 PolarHBondContact O-N 2.91Å; V54-A57 VanDerWaalsContact O-N 3.17Å; V54-C58 PolarHBondContact O-N 2.88Å; V54-C58 PolarHBondContact O-SG 2.81Å; V54-C58 VanDerWaalsContact O-SG 3.37Å
55L67.3Low58.5Low10 Ų1063.1 Ų63.15%0.05231%0.305CS..Hα-helixtrans-58.4-43.6178.2178.555.9000111.9V8 A9 A51 S52 C58 Y59 P73 A75V8-L55 HydrophobicContact CG1-CD2 4.23Å; V8-L55 HydrophobicContact CG1-CG 4.27Å; A9-L55 VanDerWaalsContact CA-CD2 3.44Å; A9-L55 HydrophobicContact CB-CD2 3.47Å; A9-L55 VanDerWaalsContact CB-CD2 3.47Å; A51-L55 WeakPolarHBondContact O-CB 3.28Å; A51-L55 PolarHBondContact O-N 3.36Å; S52-L55 PolarHBondContact O-N 2.96Å; L55-C58 PolarHBondContact O-N 3.49Å; L55-Y59 WeakPolarHBondContact O-CB 3.38Å; L55-Y59 PolarHBondContact O-N 3.29Å; L55-P73 HydrophobicContact CD1-CB 4.24Å; L55-A75 HydrophobicContact CD1-CB 4.18Å; L55-A75 HydrophobicContact CD2-CB 4.1Å
56H60.5Low58.6Low108 Ų10858.8 Ų58.850%0.529%0.294SS..Hα-helixtrans-65.3-42.1177-177.1-146.9000112V8 S52 D53 V54 Y59 F60V8-H56 HydrophobicContact CG1-CB 4.13Å; S52-H56 VanDerWaalsContact O-CB 3.28Å; S52-H56 WeakPolarHBondContact O-CB 3.45Å; S52-H56 PolarHBondContact O-N 2.9Å; D53-H56 PolarHBondContact O-N 2.88Å; V54-H56 VanDerWaalsContact C-N 3.3Å; V54-H56 PolarHBondContact O-N 3.42Å; H56-Y59 PolarHBondContact O-N 3.07Å; H56-F60 WeakPolarHBondContact O-CB 3.47Å; H56-F60 PolarHBondContact O-N 2.96Å
57A52.1Low57.9Low47 Ų4760.2 Ų60.239%0.38831%0.308SS..Hα-helixtrans-60.7-48.117600000111.4D53 V54 F60 L61D53-A57 WeakPolarHBondContact O-CB 3.27Å; D53-A57 PolarHBondContact O-N 3.43Å; V54-A57 PolarHBondContact O-N 2.91Å; V54-A57 VanDerWaalsContact O-N 3.17Å; A57-F60 WeakPolarHBondContact O-CB 3.43Å; A57-F60 PolarHBondContact O-N 2.64Å; A57-L61 WeakPolarHBondContact O-CB 3.35Å; A57-L61 VanDerWaalsContact O-CG 3.27Å; A57-L61 WeakPolarHBondContact O-CG 3.28Å; A57-L61 PolarHBondContact O-N 2.7Å
58C59Low56.9Low11 Ų1161.5 Ų61.57%0.07432%0.323CS..Hα-helixtrans-65.5-41.2177.6-64.90000112.4V54 L55 F60 L61 T62 D71 Y72 P73V54-C58 PolarHBondContact O-N 2.88Å; V54-C58 PolarHBondContact O-SG 2.81Å; V54-C58 VanDerWaalsContact O-SG 3.37Å; L55-C58 PolarHBondContact O-N 3.49Å; C58-F60 VanDerWaalsContact C-N 3.3Å; C58-F60 PolarHBondContact O-N 3.1Å; C58-L61 PolarHBondContact O-N 3.05Å; C58-T62 WeakPolarHBondContact O-CB 3.21Å; C58-T62 VanDerWaalsContact O-CG2 3.29Å; C58-T62 WeakPolarHBondContact O-CG2 3.41Å; C58-T62 PolarHBondContact O-N 2.76Å; C58-T62 PolarHBondContact O-OG1 3.18Å; C58-D71 PolarHBondContact SG-O 3.03Å; C58-Y72 PolarHBondContact SG-O 3.17Å; C58-Y72 VanDerWaalsContact SG-O 3.37Å; C58-P73 HydrophobicContact CB-CB 3.46Å; C58-P73 VanDerWaalsContact CB-CB 3.46Å; C58-P73 HydrophobicContact CB-CG 4.46Å
59Y57.5Low55.2Low46 Ų4668 Ų6818%0.1835%0.349CS..Hα-helixtrans-58.2-43.9172.3170.6-95.1000111A12 N15 T16 L55 H56 T62 T63A12-Y59 HydrophobicContact CB-CD2 3.72Å; A12-Y59 HydrophobicContact CB-CE2 4.27Å; A12-Y59 HydrophobicContact CB-CG 4.12Å; N15-Y59 HydrophobicContact CB-CE2 4.17Å; N15-Y59 WeakPolarHBondContact CB-OH 3.36Å; N15-Y59 PolarHBondContact ND2-OH 3.48Å; T16-Y59 HydrophobicContact CG2-CD2 4.26Å; T16-Y59 HydrophobicContact CG2-CE2 3.75Å; L55-Y59 WeakPolarHBondContact O-CB 3.38Å; L55-Y59 PolarHBondContact O-N 3.29Å; H56-Y59 PolarHBondContact O-N 3.07Å; Y59-T62 PolarHBondContact O-N 2.66Å; Y59-T62 PolarHBondContact O-OG1 3.2Å; Y59-T63 HydrophobicContact CD2-CG2 3.85Å; Y59-T63 HydrophobicContact CE1-CG2 4.42Å; Y59-T63 HydrophobicContact CE2-CG2 3.5Å; Y59-T63 HydrophobicContact CG-CG2 4.47Å; Y59-T63 WeakPolarHBondContact O-CB 3.36Å; Y59-T63 WeakPolarHBondContact O-CG2 3.45Å; Y59-T63 PolarHBondContact O-N 2.83Å; Y59-T63 PolarHBondContact O-OG1 3.38Å
60F53.9Low54Low98 Ų9868.8 Ų68.843%0.4336%0.361SS..Hα-helixtrans-62-50.6176.8-177-93.1000111.5H56 A57 C58 T62 T63 H64 V66H56-F60 WeakPolarHBondContact O-CB 3.47Å; H56-F60 PolarHBondContact O-N 2.96Å; A57-F60 WeakPolarHBondContact O-CB 3.43Å; A57-F60 PolarHBondContact O-N 2.64Å; C58-F60 VanDerWaalsContact C-N 3.3Å; C58-F60 PolarHBondContact O-N 3.1Å; F60-T62 VanDerWaalsContact C-N 3.28Å; F60-T62 PolarHBondContact O-N 2.82Å; F60-T63 PolarHBondContact O-N 3.48Å; F60-H64 AromaticContact CD2-CE1 3.93Å; F60-H64 AromaticContact CD2-ND1 3.68Å; F60-H64 HydrophobicContact CE1-CB 4.42Å; F60-H64 HydrophobicContact CE2-CB 4.41Å; F60-H64 AromaticContact CE2-CD2 3.93Å; F60-H64 AromaticContact CE2-CG 3.82Å; F60-H64 AromaticContact CE2-ND1 3.9Å; F60-H64 HydrophobicContact CZ-CB 4.28Å; F60-H64 VanDerWaalsContact O-CB 3.28Å; F60-H64 WeakPolarHBondContact O-CB 3.47Å; F60-H64 PolarHBondContact O-N 3.21Å; F60-H64 PolarHBondContact O-ND1 3.43Å; F60-V66 HydrophobicContact CE1-CG2 4.11Å
61L49.8Very low53.2Low55 Ų5572.6 Ų72.629%0.28838%0.383SS..Hα-helixtrans-65-27.7-179.1-67.4171.9000113.5A57 C58 H64 V66A57-L61 WeakPolarHBondContact O-CB 3.35Å; A57-L61 VanDerWaalsContact O-CG 3.27Å; A57-L61 WeakPolarHBondContact O-CG 3.28Å; A57-L61 PolarHBondContact O-N 2.7Å; C58-L61 PolarHBondContact O-N 3.05Å; L61-H64 VanDerWaalsContact O-O 3.1Å; L61-V66 HydrophobicContact CD2-CB 3.91Å; L61-V66 HydrophobicContact CD2-CG1 4Å; L61-V66 HydrophobicContact CD2-CG2 3.92Å
62T53.4Low52.2Low76 Ų7682.4 Ų82.447%0.46642%0.421SS..Hα-helixtrans-89.2-26.6178.253.20000113.6C58 Y59 F60C58-T62 WeakPolarHBondContact O-CB 3.21Å; C58-T62 VanDerWaalsContact O-CG2 3.29Å; C58-T62 WeakPolarHBondContact O-CG2 3.41Å; C58-T62 PolarHBondContact O-N 2.76Å; C58-T62 PolarHBondContact O-OG1 3.18Å; Y59-T62 PolarHBondContact O-N 2.66Å; Y59-T62 PolarHBondContact O-OG1 3.2Å; F60-T62 VanDerWaalsContact C-N 3.28Å; F60-T62 PolarHBondContact O-N 2.82Å
63T56.4Low51.2Low59 Ų5985.4 Ų85.436%0.36244%0.441SS..Hα-helixtrans-96.7-18.2178.757.80000114.2T16 Y59 F60T16-T63 HydrophobicContact CG2-CG2 4.15Å; Y59-T63 HydrophobicContact CD2-CG2 3.85Å; Y59-T63 HydrophobicContact CE1-CG2 4.42Å; Y59-T63 HydrophobicContact CE2-CG2 3.5Å; Y59-T63 HydrophobicContact CG-CG2 4.47Å; Y59-T63 WeakPolarHBondContact O-CB 3.36Å; Y59-T63 WeakPolarHBondContact O-CG2 3.45Å; Y59-T63 PolarHBondContact O-N 2.83Å; Y59-T63 PolarHBondContact O-OG1 3.38Å; F60-T63 PolarHBondContact O-N 3.48Å
64H45.8Very low51.4Low96 Ų9684 Ų8444%0.44443%0.433SS..SBendtrans-114.4133.9175.3-61.368.8000108.7F60 L61 V66F60-H64 AromaticContact CD2-CE1 3.93Å; F60-H64 AromaticContact CD2-ND1 3.68Å; F60-H64 HydrophobicContact CE1-CB 4.42Å; F60-H64 HydrophobicContact CE2-CB 4.41Å; F60-H64 AromaticContact CE2-CD2 3.93Å; F60-H64 AromaticContact CE2-CG 3.82Å; F60-H64 AromaticContact CE2-ND1 3.9Å; F60-H64 HydrophobicContact CZ-CB 4.28Å; F60-H64 VanDerWaalsContact O-CB 3.28Å; F60-H64 WeakPolarHBondContact O-CB 3.47Å; F60-H64 PolarHBondContact O-N 3.21Å; F60-H64 PolarHBondContact O-ND1 3.43Å; L61-H64 VanDerWaalsContact O-O 3.1Å; H64-V66 PolarHBondContact O-N 2.94Å
65W45.2Very low51.5Low218 Ų21883.1 Ų83.183%0.82643%0.43SS*.  trans-64.1106.8173.4-178.973.4000109.4P67W65-P67 HydrophobicContact CE3-CG 4.45Å; W65-P67 HydrophobicContact CH2-CG 3.82Å; W65-P67 HydrophobicContact CZ2-CG 3.95Å; W65-P67 HydrophobicContact CZ3-CG 4.07Å
66V43.9Very low52Low59 Ų5984 Ų8436%0.35843%0.434SS..  trans-118.8118170.6-1780000107.2F60 L61 H64 A68F60-V66 HydrophobicContact CE1-CG2 4.11Å; L61-V66 HydrophobicContact CD2-CB 3.91Å; L61-V66 HydrophobicContact CD2-CG1 4Å; L61-V66 HydrophobicContact CD2-CG2 3.92Å; H64-V66 PolarHBondContact O-N 2.94Å; V66-A68 PolarHBondContact O-N 3.12Å
67P45.7Very low52.9Low86 Ų8681.3 Ų81.356%0.55842%0.422SS*.SBendtrans-61.7124177.6-20.931.6000111.1W65W65-P67 HydrophobicContact CE3-CG 4.45Å; W65-P67 HydrophobicContact CH2-CG 3.82Å; W65-P67 HydrophobicContact CZ2-CG 3.95Å; W65-P67 HydrophobicContact CZ3-CG 4.07Å
68A44.9Very low54.5Low55 Ų5579.7 Ų79.746%0.45541%0.407SS..SBendtrans64.7135.2-179.100000115.6V66V66-A68 PolarHBondContact O-N 3.12Å
69Y39.2Very low55.7Low187 Ų18779.7 Ų79.773%0.73341%0.405SS*.  trans8467176.7-49.5-80.2000116.9D71Y69-D71 PolarHBondContact O-N 3.39Å
70A43.9Very low57.2Low75 Ų7579.6 Ų79.662%0.6241%0.408SS*.  trans-90.280.6161.700000109.8
71D44.3Very low58.9Low113 Ų11375.9 Ų75.960%0.60439%0.392SS*.  trans-80.4132.4167.1-73.9-39000109.9C58 Y69C58-D71 PolarHBondContact SG-O 3.03Å; Y69-D71 PolarHBondContact O-N 3.39Å
72Y43.8Very low60.8Low207 Ų20774.8 Ų74.881%0.81239%0.388SS*.  trans-53.7141.1-171.8-66.8-92.8000113.6C58 D74C58-Y72 PolarHBondContact SG-O 3.17Å; C58-Y72 VanDerWaalsContact SG-O 3.37Å; Y72-D74 PolarHBondContact O-N 3.38Å
73P47.3Very low62.6Low63 Ų6372.5 Ų72.541%0.40938%0.379SS..  trans-71.586.3173.928.9-32.5000111L55 C58 A75L55-P73 HydrophobicContact CD1-CB 4.24Å; C58-P73 HydrophobicContact CB-CB 3.46Å; C58-P73 VanDerWaalsContact CB-CB 3.46Å; C58-P73 HydrophobicContact CB-CG 4.46Å; P73-A75 PolarHBondContact O-N 3.31Å
74D62.5Low64.3Low58 Ų5875.9 Ų75.931%0.3139%0.386SS..  trans-98.687.4178.2-165.7-6.1000111.1Y72 I76 H77Y72-D74 PolarHBondContact O-N 3.38Å; D74-I76 PolarHBondContact O-N 2.91Å; D74-I76 VanDerWaalsContact O-N 3.16Å; D74-I76 WeakPolarHBondContact OD1-CA 3.29Å; D74-I76 WeakPolarHBondContact OD1-CG1 3.32Å; D74-I76 PolarHBondContact OD1-N 3.02Å; D74-H77 HydrophobicContact CB-CB 3.97Å; D74-H77 PolarHBondContact O-N 3.44Å; D74-H77 PolarHBondContact O-ND1 3.45Å; D74-H77 PolarHBondContact OD1-N 3.27Å
75A66.2Low66.5Low18 Ų1876.1 Ų76.115%0.14939%0.39CS..THydrogen-bonded Turntrans-61.3-16.4173.600000113.1Y40 L55 P73Y40-A75 PolarHBondContact OH-O 3.45Å; L55-A75 HydrophobicContact CD1-CB 4.18Å; L55-A75 HydrophobicContact CD2-CB 4.1Å; P73-A75 PolarHBondContact O-N 3.31Å
76I76.5Confident68.5Low29 Ų2967.7 Ų67.715%0.14936%0.361CS..THydrogen-bonded Turntrans-106.1-0.4-175.464165.9000113.1I36 D74 D78 H79 H110 A114I36-I76 HydrophobicContact CD1-CG2 4.11Å; D74-I76 PolarHBondContact O-N 2.91Å; D74-I76 VanDerWaalsContact O-N 3.16Å; D74-I76 WeakPolarHBondContact OD1-CA 3.29Å; D74-I76 WeakPolarHBondContact OD1-CG1 3.32Å; D74-I76 PolarHBondContact OD1-N 3.02Å; I76-D78 PolarHBondContact O-N 3.48Å; I76-H79 HydrophobicContact CB-CB 4.32Å; I76-H79 VanDerWaalsContact O-CB 3.28Å; I76-H79 WeakPolarHBondContact O-CB 3.36Å; I76-H79 PolarHBondContact O-N 3.46Å; I76-H110 WeakPolarHBondContact O-CB 3.45Å; I76-A114 HydrophobicContact CB-CB 3.79Å; I76-A114 HydrophobicContact CD1-CB 3.49Å; I76-A114 VanDerWaalsContact CD1-CB 3.49Å; I76-A114 HydrophobicContact CG1-CB 4.2Å; I76-A114 HydrophobicContact CG2-CB 3.78Å
77H79.3Confident70.9Confident51 Ų5168.3 Ų68.324%0.23637%0.372CS..THydrogen-bonded Turntrans-59.2-17.8-17277.4-84.6000115.4H50 D74 H110H50-H77 AromaticContact NE2-NE2 3.89Å; D74-H77 HydrophobicContact CB-CB 3.97Å; D74-H77 PolarHBondContact O-N 3.44Å; D74-H77 PolarHBondContact O-ND1 3.45Å; D74-H77 PolarHBondContact OD1-N 3.27Å; H77-H110 PolarHBondContact O-CD2 3.47Å; H77-H110 PolarHBondContact O-NE2 3.13Å
78D85.3Confident73.3Confident14 Ų1468.7 Ų68.78%0.07537%0.365CS..THydrogen-bonded Turntrans-122.910.6178.7-100.8-3.4000112.5Y40 H46 H50 I76 D80 H81Y40-D78 HydrophobicContact CE1-CB 3.98Å; H46-D78 IonicContact CD2-OD2 3.9Å; H46-D78 PolarHBondContact CD2-OD2 2.87Å; H46-D78 IonicContact CG-OD2 2.95Å; H50-D78 IonicContact CD2-OD2 3.56Å; I76-D78 PolarHBondContact O-N 3.48Å; D78-D80 PolarHBondContact O-N 3.13Å; D78-H81 HydrophobicContact CB-CB 4.43Å; D78-H81 WeakPolarHBondContact O-CB 3.39Å; D78-H81 PolarHBondContact O-N 3.44Å; D78-H81 IonicContact OD1-CD2 3.8Å
79H84.3Confident75.7Confident11 Ų1166.2 Ų66.25%0.05134%0.344CS..THydrogen-bonded Turntrans-59.7123.7-176174.6-94.5000111.8I36 I76 H81 H110 S113 A114I36-H79 VanDerWaalsContact CD1-CD2 3.43Å; I36-H79 WeakPolarHBondContact CD1-CD2 3.29Å; I76-H79 HydrophobicContact CB-CB 4.32Å; I76-H79 VanDerWaalsContact O-CB 3.28Å; I76-H79 WeakPolarHBondContact O-CB 3.36Å; I76-H79 PolarHBondContact O-N 3.46Å; H79-H81 VanDerWaalsContact C-N 3.33Å; H79-H81 PolarHBondContact O-N 3.05Å; H79-H110 PolarHBondContact N-ND1 2.75Å; H79-H110 PolarHBondContact O-ND1 2.93Å; H79-S113 PolarHBondContact CE1-OG 3.47Å; H79-S113 WeakPolarHBondContact ND1-CB 3.47Å; H79-S113 PolarHBondContact ND1-OG 3.33Å; H79-S113 PolarHBondContact O-OG 2.9Å; H79-A114 PolarHBondContact ND1-N 3.36Å
80D88.9Confident78.3Confident44 Ų4459.6 Ų59.624%0.23532%0.323CS..THydrogen-bonded Turntrans58.135.8-172.1-170.241.8000114.3R41 D78 H109R41-D80 IonicContact CZ-OD1 3.78Å; R41-D80 IonicContact NH2-OD1 2.74Å; R41-D80 PolarHBondContact NH2-OD1 2.75Å; D78-D80 PolarHBondContact O-N 3.13Å; D80-H109 PolarHBondContact O-NE2 3.14Å; D80-H109 IonicContact OD2-CE1 2.81Å; D80-H109 PolarHBondContact OD2-CE1 2.79Å; D80-H109 VanDerWaalsContact OD2-CE1 3.25Å; D80-H109 IonicContact OD2-NE2 3.86Å; D80-H109 PolarHBondContact OD2-NE2 3.25Å
81H90.2Very high80.8Confident20 Ų2059.9 Ų59.99%0.09333%0.326CS..  trans-63.3127.6173.2-168.6-83.9000112.2H46 D78 H79 G83 L106 H110H46-H81 AromaticContact ND1-CE1 3.83Å; H46-H81 AromaticContact ND1-ND1 3.91Å; D78-H81 HydrophobicContact CB-CB 4.43Å; D78-H81 WeakPolarHBondContact O-CB 3.39Å; D78-H81 PolarHBondContact O-N 3.44Å; D78-H81 IonicContact OD1-CD2 3.8Å; H79-H81 VanDerWaalsContact C-N 3.33Å; H79-H81 PolarHBondContact O-N 3.05Å; H81-G83 WeakPolarHBondContact ND1-CA 3.14Å; H81-G83 PolarHBondContact ND1-N 2.73Å; H81-G83 PolarHBondContact O-N 2.79Å; H81-L106 WeakPolarHBondContact NE2-CD1 3.49Å; H81-H110 AromaticContact CD2-CE1 3.78Å; H81-H110 AromaticContact CD2-NE2 3.57Å
82P89.9Confident83.3Confident32 Ų3258 Ų5821%0.20832%0.319CS..  trans-80.51.1-174.532.8-35.7000114.2R84 L89 L106P82-R84 VanDerWaalsContact C-N 3.26Å; P82-R84 HydrophobicContact CG-CB 4.45Å; P82-R84 PolarHBondContact O-N 2.74Å; P82-L89 HydrophobicContact CG-CD1 4.27Å; P82-L89 HydrophobicContact CG-CD2 4.21Å; P82-L106 HydrophobicContact CG-CD2 3.81Å
83G91Very high85.8Confident27 Ų2757.9 Ų57.928%0.27832%0.317SS..SBendtrans70.223.6-17400000113H81H81-G83 WeakPolarHBondContact ND1-CA 3.14Å; H81-G83 PolarHBondContact ND1-N 2.73Å; H81-G83 PolarHBondContact O-N 2.79Å
84R91.5Very high88.2Confident131 Ų13156.9 Ų56.949%0.49431%0.308SS..SBendtrans-136.2139.9177.2-62.8-64.1-178.8-84.2-2.9107.6P82 F88 L89P82-R84 VanDerWaalsContact C-N 3.26Å; P82-R84 HydrophobicContact CG-CB 4.45Å; P82-R84 PolarHBondContact O-N 2.74Å; R84-F88 HydrophobicContact CB-CB 4.27Å; R84-F88 HydrophobicContact CB-CD1 3.68Å; R84-F88 HydrophobicContact CB-CE1 4.37Å; R84-F88 HydrophobicContact CB-CG 4.18Å; R84-F88 HydrophobicContact CG-CD1 3.65Å; R84-F88 HydrophobicContact CG-CE1 3.84Å; R84-F88 HydrophobicContact CG-CG 4.32Å; R84-L89 HydrophobicContact CB-CD2 4.13Å
85N92.1Very high89.8Confident100 Ų10058.5 Ų58.554%0.53532%0.322SS..  trans-80.6167.9-179.764.216.3000112.1A87 F88 L89N85-A87 VanDerWaalsContact C-N 3.25Å; N85-A87 PolarHBondContact O-N 2.95Å; N85-A87 PolarHBondContact OD1-N 2.86Å; N85-F88 PolarHBondContact O-N 2.65Å; N85-F88 VanDerWaalsContact O-N 3.11Å; N85-F88 WeakPolarHBondContact OD1-CB 3.48Å; N85-F88 PolarHBondContact OD1-N 3.26Å; N85-L89 WeakPolarHBondContact O-CG 3.41Å; N85-L89 PolarHBondContact O-N 2.88Å; N85-L89 VanDerWaalsContact O-N 3.14Å
86N88.6Confident91.2Very high42 Ų4260.1 Ų60.123%0.22533%0.325CS..Hα-helixtrans-50.8-43.2177.8-76.1-21.7000112.5F88 L89 V90 V105 L106 E107N86-F88 PolarHBondContact O-N 3.19Å; N86-L89 PolarHBondContact O-N 3.44Å; N86-V90 VanDerWaalsContact O-CG2 3.3Å; N86-V90 WeakPolarHBondContact O-CG2 3.46Å; N86-V90 PolarHBondContact O-N 2.74Å; N86-V105 WeakPolarHBondContact OD1-CB 3.35Å; N86-V105 PolarHBondContact OD1-N 3.33Å; N86-L106 VanDerWaalsContact OD1-CB 3.32Å; N86-L106 WeakPolarHBondContact OD1-CB 3.46Å; N86-L106 WeakPolarHBondContact OD1-CD1 3.22Å; N86-L106 WeakPolarHBondContact OD1-CG 3.34Å; N86-L106 PolarHBondContact OD1-N 3.4Å; N86-E107 PolarHBondContact ND2-OE1 3.35Å; N86-E107 PolarHBondContact ND2-OE2 2.98Å
87A93.7Very high92Very high71 Ų7158.7 Ų58.759%0.58732%0.318SS*.Hα-helixtrans-60-42.4-18000000113N85 A91N85-A87 VanDerWaalsContact C-N 3.25Å; N85-A87 PolarHBondContact O-N 2.95Å; N85-A87 PolarHBondContact OD1-N 2.86Å; A87-A91 VanDerWaalsContact O-CB 3.28Å; A87-A91 WeakPolarHBondContact O-CB 3.5Å; A87-A91 PolarHBondContact O-N 3.38Å
88F95.8Very high92.6Very high95 Ų9561.6 Ų61.642%0.41733%0.334SS..Hα-helixtrans-65.6-47.4176-177.2-86.4000111.3R84 N85 N86 V90 A91 T92R84-F88 HydrophobicContact CB-CB 4.27Å; R84-F88 HydrophobicContact CB-CD1 3.68Å; R84-F88 HydrophobicContact CB-CE1 4.37Å; R84-F88 HydrophobicContact CB-CG 4.18Å; R84-F88 HydrophobicContact CG-CD1 3.65Å; R84-F88 HydrophobicContact CG-CE1 3.84Å; R84-F88 HydrophobicContact CG-CG 4.32Å; N85-F88 PolarHBondContact O-N 2.65Å; N85-F88 VanDerWaalsContact O-N 3.11Å; N85-F88 WeakPolarHBondContact OD1-CB 3.48Å; N85-F88 PolarHBondContact OD1-N 3.26Å; N86-F88 PolarHBondContact O-N 3.19Å; F88-V90 VanDerWaalsContact C-N 3.32Å; F88-V90 PolarHBondContact O-N 3.4Å; F88-A91 PolarHBondContact O-N 3.02Å; F88-T92 HydrophobicContact CD1-CG2 4.14Å; F88-T92 HydrophobicContact CD2-CG2 4.48Å; F88-T92 HydrophobicContact CE1-CG2 3.74Å; F88-T92 HydrophobicContact CE2-CG2 4.11Å; F88-T92 HydrophobicContact CZ-CG2 3.72Å; F88-T92 WeakPolarHBondContact O-CG2 3.5Å; F88-T92 PolarHBondContact O-N 3.18Å; F88-T92 PolarHBondContact O-OG1 3.18Å
89L95.3Very high93Very high2 Ų265.3 Ų65.31%0.0136%0.357CS..Hα-helixtrans-59-43.7-178.2-63.6178.8000111.9P82 R84 N85 N86 T92 R93 D94 A97 V105 L106P82-L89 HydrophobicContact CG-CD1 4.27Å; P82-L89 HydrophobicContact CG-CD2 4.21Å; R84-L89 HydrophobicContact CB-CD2 4.13Å; N85-L89 WeakPolarHBondContact O-CG 3.41Å; N85-L89 PolarHBondContact O-N 2.88Å; N85-L89 VanDerWaalsContact O-N 3.14Å; N86-L89 PolarHBondContact O-N 3.44Å; L89-T92 PolarHBondContact O-OG1 3.23Å; L89-R93 PolarHBondContact O-N 3.39Å; L89-D94 HydrophobicContact CB-CB 4.01Å; L89-D94 HydrophobicContact CD2-CB 3.83Å; L89-D94 WeakPolarHBondContact O-CB 3.45Å; L89-D94 PolarHBondContact O-N 2.91Å; L89-A97 HydrophobicContact CB-CB 4.37Å; L89-V105 HydrophobicContact CD1-CG1 3.97Å; L89-L106 HydrophobicContact CD1-CD2 3.81Å; L89-L106 HydrophobicContact CD1-CG 3.95Å
90V94.1Very high93.3Very high49 Ų4966.7 Ų66.730%0.29736%0.362SS..Hα-helixtrans-63.8-50175.4173.50000110.7N86 F88 T92 R93 A97 D102 V105N86-V90 VanDerWaalsContact O-CG2 3.3Å; N86-V90 WeakPolarHBondContact O-CG2 3.46Å; N86-V90 PolarHBondContact O-N 2.74Å; F88-V90 VanDerWaalsContact C-N 3.32Å; F88-V90 PolarHBondContact O-N 3.4Å; V90-T92 PolarHBondContact O-N 3.14Å; V90-R93 PolarHBondContact O-N 2.79Å; V90-R93 VanDerWaalsContact O-N 3.08Å; V90-A97 HydrophobicContact CG2-CB 4.16Å; V90-D102 HydrophobicContact CG1-CB 4.19Å; V90-D102 HydrophobicContact CG2-CB 3.74Å; V90-V105 HydrophobicContact CG2-CG2 4.34Å
91A96.4Very high93.5Very high81 Ų8170.6 Ų70.667%0.66938%0.383SS*.Hα-helixtrans-60.4-32.8-178.500000113.2A87 F88A87-A91 VanDerWaalsContact O-CB 3.28Å; A87-A91 WeakPolarHBondContact O-CB 3.5Å; A87-A91 PolarHBondContact O-N 3.38Å; F88-A91 PolarHBondContact O-N 3.02Å
92T97.3Very high93.6Very high74 Ų7474 Ų7445%0.45440%0.402SS..THydrogen-bonded Turntrans-91.21.3179.358.90000114.4F88 L89 V90 D94F88-T92 HydrophobicContact CD1-CG2 4.14Å; F88-T92 HydrophobicContact CD2-CG2 4.48Å; F88-T92 HydrophobicContact CE1-CG2 3.74Å; F88-T92 HydrophobicContact CE2-CG2 4.11Å; F88-T92 HydrophobicContact CZ-CG2 3.72Å; F88-T92 WeakPolarHBondContact O-CG2 3.5Å; F88-T92 PolarHBondContact O-N 3.18Å; F88-T92 PolarHBondContact O-OG1 3.18Å; L89-T92 PolarHBondContact O-OG1 3.23Å; V90-T92 PolarHBondContact O-N 3.14Å; T92-D94 VanDerWaalsContact C-N 3.27Å; T92-D94 PolarHBondContact O-N 3.24Å
93R95.9Very high93.5Very high203 Ų20381.7 Ų81.777%0.76643%0.427SS*.THydrogen-bonded Turntrans52.844.3-172-58.4-176.5170.497.5-0112.4L89 V90L89-R93 PolarHBondContact O-N 3.39Å; V90-R93 PolarHBondContact O-N 2.79Å; V90-R93 VanDerWaalsContact O-N 3.08Å
94D97.3Very high93.3Very high43 Ų4383.7 Ų83.723%0.2344%0.437CS..  trans-57.2140.5174.9-172.6-81000109.7L89 T92 K96 A97 I98L89-D94 HydrophobicContact CB-CB 4.01Å; L89-D94 HydrophobicContact CD2-CB 3.83Å; L89-D94 WeakPolarHBondContact O-CB 3.45Å; L89-D94 PolarHBondContact O-N 2.91Å; T92-D94 VanDerWaalsContact C-N 3.27Å; T92-D94 PolarHBondContact O-N 3.24Å; D94-K96 PolarHBondContact O-N 3.35Å; D94-K96 WeakPolarHBondContact OD1-CB 3.45Å; D94-K96 WeakPolarHBondContact OD1-CG 3.44Å; D94-K96 PolarHBondContact OD1-N 2.77Å; D94-A97 WeakPolarHBondContact O-CA 3.45Å; D94-A97 WeakPolarHBondContact O-CB 3.29Å; D94-A97 PolarHBondContact O-N 3.05Å; D94-I98 PolarHBondContact O-N 3.02Å
95P97.3Very high93Very high92 Ų9277.5 Ų77.560%0.59741%0.413SS*.Hα-helixtrans-51.6-30.3178-29.936.3000114.6T99P95-T99 WeakPolarHBondContact O-CB 3.32Å; P95-T99 PolarHBondContact O-N 2.79Å; P95-T99 PolarHBondContact O-OG1 3.44Å
96K93.8Very high93Very high51 Ų5173.2 Ų73.222%0.22239%0.391CS..Hα-helixtrans-66.6-42.1174.3-67.2173.1179.755.40112D94 I98 T99 Y100 V105 H109D94-K96 PolarHBondContact O-N 3.35Å; D94-K96 WeakPolarHBondContact OD1-CB 3.45Å; D94-K96 WeakPolarHBondContact OD1-CG 3.44Å; D94-K96 PolarHBondContact OD1-N 2.77Å; K96-I98 VanDerWaalsContact C-N 3.3Å; K96-I98 PolarHBondContact O-N 3.15Å; K96-T99 PolarHBondContact O-N 2.75Å; K96-T99 VanDerWaalsContact O-N 3.17Å; K96-Y100 HydrophobicContact CB-CD2 4.44Å; K96-Y100 VanDerWaalsContact O-CD2 3.24Å; K96-Y100 WeakPolarHBondContact O-CD2 3.49Å; K96-Y100 PolarHBondContact O-N 3.43Å; K96-V105 HydrophobicContact CB-CG1 3.72Å; K96-H109 HydrophobicContact CD-CB 4.41Å; K96-H109 WeakPolarHBondContact CE-CE1 3.38Å; K96-H109 WeakPolarHBondContact CE-NE2 3.08Å
97A94.8Very high93Very high0 Ų075.8 Ų75.80%040%0.401CS..Hα-helixtrans-62.1-42.1178.400000110.6L89 V90 D94 Y100 N101 D102 V105L89-A97 HydrophobicContact CB-CB 4.37Å; V90-A97 HydrophobicContact CG2-CB 4.16Å; D94-A97 WeakPolarHBondContact O-CA 3.45Å; D94-A97 WeakPolarHBondContact O-CB 3.29Å; D94-A97 PolarHBondContact O-N 3.05Å; A97-Y100 PolarHBondContact O-N 2.94Å; A97-N101 PolarHBondContact O-N 3.47Å; A97-D102 WeakPolarHBondContact CB-OD1 3.28Å; A97-D102 PolarHBondContact O-N 3.35Å; A97-V105 HydrophobicContact CB-CG1 4.32Å; A97-V105 HydrophobicContact CB-CG2 4.3Å
98I92.4Very high92.5Very high112 Ų11275.7 Ų75.757%0.57439%0.391SS*.Hα-helixtrans-62.3-46.7172.4-58.8171.1000111.1D94 K96 Y100 N101D94-I98 PolarHBondContact O-N 3.02Å; K96-I98 VanDerWaalsContact C-N 3.3Å; K96-I98 PolarHBondContact O-N 3.15Å; I98-Y100 VanDerWaalsContact C-N 3.32Å; I98-Y100 PolarHBondContact O-N 3.23Å; I98-N101 PolarHBondContact O-N 3.38Å
99T93.1Very high92.2Very high92 Ų9271.9 Ų71.956%0.56437%0.374SS*.Hα-helixtrans-61.1-39.7-177.9-59.40000112.4P95 K96P95-T99 WeakPolarHBondContact O-CB 3.32Å; P95-T99 PolarHBondContact O-N 2.79Å; P95-T99 PolarHBondContact O-OG1 3.44Å; K96-T99 PolarHBondContact O-N 2.75Å; K96-T99 VanDerWaalsContact O-N 3.17Å
100Y89.9Confident91.8Very high39 Ų3972 Ų7215%0.15338%0.375CS..THydrogen-bonded Turntrans-102.618-177.1-57.2-58.3000113.4K96 A97 I98 D102 R103 V105 N108 H109 S112K96-Y100 HydrophobicContact CB-CD2 4.44Å; K96-Y100 VanDerWaalsContact O-CD2 3.24Å; K96-Y100 WeakPolarHBondContact O-CD2 3.49Å; K96-Y100 PolarHBondContact O-N 3.43Å; A97-Y100 PolarHBondContact O-N 2.94Å; I98-Y100 VanDerWaalsContact C-N 3.32Å; I98-Y100 PolarHBondContact O-N 3.23Å; Y100-D102 VanDerWaalsContact C-N 3.25Å; Y100-D102 PolarHBondContact O-N 3.35Å; Y100-R103 PolarHBondContact O-N 2.9Å; Y100-V105 HydrophobicContact CD2-CG1 4.22Å; Y100-V105 WeakPolarHBondContact CD2-O 3.39Å; Y100-N108 HydrophobicContact CD1-CB 3.53Å; Y100-N108 HydrophobicContact CD2-CB 4.05Å; Y100-N108 HydrophobicContact CE1-CB 3.79Å; Y100-N108 HydrophobicContact CE2-CB 4.29Å; Y100-N108 HydrophobicContact CG-CB 3.67Å; Y100-H109 HydrophobicContact CD2-CB 4.45Å; Y100-H109 HydrophobicContact CE2-CB 3.69Å; Y100-S112 WeakPolarHBondContact OH-CB 3.15Å; Y100-S112 PolarHBondContact OH-OG 3.34Å; Y100-S112 VanDerWaalsContact OH-OG 3.09Å
101N93.5Very high91.3Very high127 Ų12773.9 Ų73.968%0.67938%0.382SS*.THydrogen-bonded Turntrans51.141.5176.3-52.4-70.6000113.6A97 I98 R103A97-N101 PolarHBondContact O-N 3.47Å; I98-N101 PolarHBondContact O-N 3.38Å; N101-R103 PolarHBondContact O-N 3.26Å
102D92.3Very high90.6Very high92 Ų9271.7 Ų71.749%0.49236%0.362SS..THydrogen-bonded Turntrans58.110.9-177.6-57.6-25.7000115.5V90 A97 Y100V90-D102 HydrophobicContact CG1-CB 4.19Å; V90-D102 HydrophobicContact CG2-CB 3.74Å; A97-D102 WeakPolarHBondContact CB-OD1 3.28Å; A97-D102 PolarHBondContact O-N 3.35Å; Y100-D102 VanDerWaalsContact C-N 3.25Å; Y100-D102 PolarHBondContact O-N 3.35Å
103R86.6Confident90.1Very high193 Ų19368.7 Ų68.773%0.72834%0.344SS*.SBendtrans-104.1123.3-179.1-68.9-177.2-178.2-174.4-0.3111.2Y100 N101 V105 N108Y100-R103 PolarHBondContact O-N 2.9Å; N101-R103 PolarHBondContact O-N 3.26Å; R103-V105 PolarHBondContact O-N 3.4Å; R103-N108 PolarHBondContact O-ND2 3.32Å
104S87.4Confident89.5Confident69 Ų6959.1 Ų59.148%0.48331%0.309SS..SBendtrans40.651.7176-49.80000111.4L106 E107 N108S104-L106 PolarHBondContact O-N 2.96Å; S104-E107 WeakPolarHBondContact CA-OE2 3.38Å; S104-E107 WeakPolarHBondContact CB-OE2 3.35Å; S104-E107 PolarHBondContact O-N 3.4Å; S104-N108 WeakPolarHBondContact O-CB 3.36Å; S104-N108 PolarHBondContact O-N 3.03Å; S104-N108 PolarHBondContact O-ND2 2.98Å
105V86.5Confident88.7Confident0 Ų063.8 Ų63.80%032%0.323CS..Hα-helixtrans-62.2-46.2-162.1174.30000110.7N86 L89 V90 K96 A97 Y100 R103 E107 H109N86-V105 WeakPolarHBondContact OD1-CB 3.35Å; N86-V105 PolarHBondContact OD1-N 3.33Å; L89-V105 HydrophobicContact CD1-CG1 3.97Å; V90-V105 HydrophobicContact CG2-CG2 4.34Å; K96-V105 HydrophobicContact CB-CG1 3.72Å; A97-V105 HydrophobicContact CB-CG1 4.32Å; A97-V105 HydrophobicContact CB-CG2 4.3Å; Y100-V105 HydrophobicContact CD2-CG1 4.22Å; Y100-V105 WeakPolarHBondContact CD2-O 3.39Å; R103-V105 PolarHBondContact O-N 3.4Å; V105-E107 PolarHBondContact N-OE2 3.27Å; V105-H109 VanDerWaalsContact O-CB 3.23Å; V105-H109 WeakPolarHBondContact O-CB 3.22Å; V105-H109 PolarHBondContact O-N 2.99Å
106L91.2Very high88Confident11 Ų1165.9 Ų65.96%0.05832%0.323CS..Hα-helixtrans-67.4-48.6176.9-76.3169.9000110.9H81 P82 N86 L89 S104 N108 H109 H110H81-L106 WeakPolarHBondContact NE2-CD1 3.49Å; P82-L106 HydrophobicContact CG-CD2 3.81Å; N86-L106 VanDerWaalsContact OD1-CB 3.32Å; N86-L106 WeakPolarHBondContact OD1-CB 3.46Å; N86-L106 WeakPolarHBondContact OD1-CD1 3.22Å; N86-L106 WeakPolarHBondContact OD1-CG 3.34Å; N86-L106 PolarHBondContact OD1-N 3.4Å; L89-L106 HydrophobicContact CD1-CD2 3.81Å; L89-L106 HydrophobicContact CD1-CG 3.95Å; S104-L106 PolarHBondContact O-N 2.96Å; L106-N108 VanDerWaalsContact C-N 3.35Å; L106-N108 PolarHBondContact O-N 3.26Å; L106-H109 CarbonylContact O-C 3.55Å; L106-H109 WeakPolarHBondContact O-CA 3.4Å; L106-H109 VanDerWaalsContact O-CB 3.3Å; L106-H109 WeakPolarHBondContact O-CB 3.47Å; L106-H109 PolarHBondContact O-N 3.31Å; L106-H110 WeakPolarHBondContact O-CB 3.27Å; L106-H110 PolarHBondContact O-CD2 2.96Å; L106-H110 PolarHBondContact O-N 3.35Å; L106-H110 PolarHBondContact O-NE2 3.14Å
107E88.3Confident87.6Confident96 Ų9663.8 Ų63.845%0.44931%0.314SS..Hα-helixtrans-59.2-45.8-177.6-59.676.7-174.800111.4N86 S104 V105 H109 H110 I111N86-E107 PolarHBondContact ND2-OE1 3.35Å; N86-E107 PolarHBondContact ND2-OE2 2.98Å; S104-E107 WeakPolarHBondContact CA-OE2 3.38Å; S104-E107 WeakPolarHBondContact CB-OE2 3.35Å; S104-E107 PolarHBondContact O-N 3.4Å; V105-E107 PolarHBondContact N-OE2 3.27Å; E107-H109 VanDerWaalsContact C-N 3.32Å; E107-H109 PolarHBondContact O-N 3.47Å; E107-H110 PolarHBondContact O-N 2.91Å; E107-I111 WeakPolarHBondContact O-CG1 3.29Å; E107-I111 PolarHBondContact O-N 3.05Å
108N83.3Confident87Confident69 Ų6964.2 Ų64.237%0.36932%0.316SS..Hα-helixtrans-64-37.7173.1-77.7-52.8000112.1Y100 R103 S104 L106 S112Y100-N108 HydrophobicContact CD1-CB 3.53Å; Y100-N108 HydrophobicContact CD2-CB 4.05Å; Y100-N108 HydrophobicContact CE1-CB 3.79Å; Y100-N108 HydrophobicContact CE2-CB 4.29Å; Y100-N108 HydrophobicContact CG-CB 3.67Å; R103-N108 PolarHBondContact O-ND2 3.32Å; S104-N108 WeakPolarHBondContact O-CB 3.36Å; S104-N108 PolarHBondContact O-N 3.03Å; S104-N108 PolarHBondContact O-ND2 2.98Å; L106-N108 VanDerWaalsContact C-N 3.35Å; L106-N108 PolarHBondContact O-N 3.26Å; N108-S112 WeakPolarHBondContact O-CB 3.27Å; N108-S112 PolarHBondContact O-N 3.42Å
109H90.1Very high86.3Confident14 Ų1464.2 Ų64.27%0.06532%0.315CS..Hα-helixtrans-65.8-44.2177.2-179.462.5000112.3D80 K96 Y100 V105 L106 E107 S112 S113D80-H109 PolarHBondContact O-NE2 3.14Å; D80-H109 IonicContact OD2-CE1 2.81Å; D80-H109 PolarHBondContact OD2-CE1 2.79Å; D80-H109 VanDerWaalsContact OD2-CE1 3.25Å; D80-H109 IonicContact OD2-NE2 3.86Å; D80-H109 PolarHBondContact OD2-NE2 3.25Å; K96-H109 HydrophobicContact CD-CB 4.41Å; K96-H109 WeakPolarHBondContact CE-CE1 3.38Å; K96-H109 WeakPolarHBondContact CE-NE2 3.08Å; Y100-H109 HydrophobicContact CD2-CB 4.45Å; Y100-H109 HydrophobicContact CE2-CB 3.69Å; V105-H109 VanDerWaalsContact O-CB 3.23Å; V105-H109 WeakPolarHBondContact O-CB 3.22Å; V105-H109 PolarHBondContact O-N 2.99Å; L106-H109 CarbonylContact O-C 3.55Å; L106-H109 WeakPolarHBondContact O-CA 3.4Å; L106-H109 VanDerWaalsContact O-CB 3.3Å; L106-H109 WeakPolarHBondContact O-CB 3.47Å; L106-H109 PolarHBondContact O-N 3.31Å; E107-H109 VanDerWaalsContact C-N 3.32Å; E107-H109 PolarHBondContact O-N 3.47Å; H109-S112 PolarHBondContact O-N 3.47Å; H109-S113 WeakPolarHBondContact O-CB 3.46Å; H109-S113 PolarHBondContact O-N 2.84Å; H109-S113 PolarHBondContact O-OG 3.42Å
110H87.5Confident85.9Confident4 Ų464.5 Ų64.52%0.01931%0.306CS..Hα-helixtrans-58.6-50.9179.3-66.1-37.6000110.9I76 H77 H79 H81 L106 E107 S113 A114I76-H110 WeakPolarHBondContact O-CB 3.45Å; H77-H110 PolarHBondContact O-CD2 3.47Å; H77-H110 PolarHBondContact O-NE2 3.13Å; H79-H110 PolarHBondContact N-ND1 2.75Å; H79-H110 PolarHBondContact O-ND1 2.93Å; H81-H110 AromaticContact CD2-CE1 3.78Å; H81-H110 AromaticContact CD2-NE2 3.57Å; L106-H110 WeakPolarHBondContact O-CB 3.27Å; L106-H110 PolarHBondContact O-CD2 2.96Å; L106-H110 PolarHBondContact O-N 3.35Å; L106-H110 PolarHBondContact O-NE2 3.14Å; E107-H110 PolarHBondContact O-N 2.91Å; H110-S113 PolarHBondContact O-OG 2.89Å; H110-A114 VanDerWaalsContact O-CB 3.31Å; H110-A114 WeakPolarHBondContact O-CB 3.42Å; H110-A114 PolarHBondContact O-N 3.39Å
111I81.7Confident85.6Confident89 Ų8970.7 Ų70.746%0.45634%0.337SS..Hα-helixtrans-63.7-49.2176.4-63.4168.2000111.2E107 S113 A114 W115E107-I111 WeakPolarHBondContact O-CG1 3.29Å; E107-I111 PolarHBondContact O-N 3.05Å; I111-S113 VanDerWaalsContact C-N 3.35Å; I111-S113 PolarHBondContact O-N 3.45Å; I111-A114 PolarHBondContact O-N 2.96Å; I111-W115 WeakPolarHBondContact O-CB 3.34Å; I111-W115 PolarHBondContact O-N 2.73Å
112S82.4Confident85.3Confident35 Ų3569.3 Ų69.325%0.24533%0.326CS..Hα-helixtrans-61.1-41.4-178.4175.80000112.8Y100 N108 H109 K116Y100-S112 WeakPolarHBondContact OH-CB 3.15Å; Y100-S112 PolarHBondContact OH-OG 3.34Å; Y100-S112 VanDerWaalsContact OH-OG 3.09Å; N108-S112 WeakPolarHBondContact O-CB 3.27Å; N108-S112 PolarHBondContact O-N 3.42Å; H109-S112 PolarHBondContact O-N 3.47Å; S112-K116 WeakPolarHBondContact O-CG 3.34Å; S112-K116 PolarHBondContact O-N 3.15Å; S112-K116 VanDerWaalsContact O-N 3.12Å
113S87.7Confident84.7Confident12 Ų1265 Ų658%0.08430%0.303CS..Hα-helixtrans-71.4-41.4179.357.90000111.7H79 H109 H110 I111 W115 K116 V117H79-S113 PolarHBondContact CE1-OG 3.47Å; H79-S113 WeakPolarHBondContact ND1-CB 3.47Å; H79-S113 PolarHBondContact ND1-OG 3.33Å; H79-S113 PolarHBondContact O-OG 2.9Å; H109-S113 WeakPolarHBondContact O-CB 3.46Å; H109-S113 PolarHBondContact O-N 2.84Å; H109-S113 PolarHBondContact O-OG 3.42Å; H110-S113 PolarHBondContact O-OG 2.89Å; I111-S113 VanDerWaalsContact C-N 3.35Å; I111-S113 PolarHBondContact O-N 3.45Å; S113-W115 VanDerWaalsContact C-N 3.35Å; S113-W115 PolarHBondContact O-N 3.2Å; S113-K116 WeakPolarHBondContact O-CB 3.42Å; S113-K116 PolarHBondContact O-N 2.87Å; S113-V117 PolarHBondContact O-N 2.93Å
114A82.9Confident84.4Confident2 Ų259.1 Ų59.12%0.01728%0.283CS..Hα-helixtrans-63.1-39.6172.700000112.2I76 H79 H110 I111 K116 V117 L118I76-A114 HydrophobicContact CB-CB 3.79Å; I76-A114 HydrophobicContact CD1-CB 3.49Å; I76-A114 VanDerWaalsContact CD1-CB 3.49Å; I76-A114 HydrophobicContact CG1-CB 4.2Å; I76-A114 HydrophobicContact CG2-CB 3.78Å; H79-A114 PolarHBondContact ND1-N 3.36Å; H110-A114 VanDerWaalsContact O-CB 3.31Å; H110-A114 WeakPolarHBondContact O-CB 3.42Å; H110-A114 PolarHBondContact O-N 3.39Å; I111-A114 PolarHBondContact O-N 2.96Å; A114-K116 VanDerWaalsContact C-N 3.31Å; A114-K116 PolarHBondContact O-N 3.43Å; A114-V117 WeakPolarHBondContact O-CA 3.29Å; A114-V117 WeakPolarHBondContact O-CB 3.28Å; A114-V117 PolarHBondContact O-N 2.71Å; A114-V117 VanDerWaalsContact O-N 3.07Å; A114-L118 PolarHBondContact O-N 3.19Å
115W79.4Confident84Confident140 Ų14056.9 Ų56.953%0.5326%0.264SS..Hα-helixtrans-62.1-38.5175.7-129.3-120.3000112.1I111 S113 V117 L118 M119I111-W115 WeakPolarHBondContact O-CB 3.34Å; I111-W115 PolarHBondContact O-N 2.73Å; S113-W115 VanDerWaalsContact C-N 3.35Å; S113-W115 PolarHBondContact O-N 3.2Å; W115-V117 VanDerWaalsContact C-N 3.27Å; W115-V117 PolarHBondContact O-N 3.13Å; W115-L118 HydrophobicContact CD2-CD2 4.24Å; W115-L118 HydrophobicContact CE3-CD2 4.06Å; W115-L118 HydrophobicContact CH2-CD2 4.09Å; W115-L118 HydrophobicContact CZ2-CD2 4.26Å; W115-L118 HydrophobicContact CZ3-CD2 3.99Å; W115-L118 PolarHBondContact O-N 3.36Å; W115-M119 WeakPolarHBondContact O-CB 3.49Å; W115-M119 WeakPolarHBondContact O-CG 3.49Å; W115-M119 PolarHBondContact O-N 2.63Å
116K83.5Confident83.1Confident136 Ų13658.5 Ų58.559%0.59127%0.274SS*.Hα-helixtrans-63.5-33.3174.1-71.6168.7-172.1172.90112.5S112 S113 A114S112-K116 WeakPolarHBondContact O-CG 3.34Å; S112-K116 PolarHBondContact O-N 3.15Å; S112-K116 VanDerWaalsContact O-N 3.12Å; S113-K116 WeakPolarHBondContact O-CB 3.42Å; S113-K116 PolarHBondContact O-N 2.87Å; A114-K116 VanDerWaalsContact C-N 3.31Å; A114-K116 PolarHBondContact O-N 3.43Å
117V86Confident82Confident8 Ų861.3 Ų61.35%0.04829%0.287CS..Hα-helixtrans-69.9-47173.2177.20000109.9F32 E35 S113 A114 W115 M119 R120 N123F32-V117 HydrophobicContact CD2-CG1 3.92Å; F32-V117 HydrophobicContact CE2-CB 4.47Å; F32-V117 HydrophobicContact CE2-CG1 4.1Å; E35-V117 HydrophobicContact CB-CG1 3.73Å; E35-V117 HydrophobicContact CG-CG1 4.48Å; S113-V117 PolarHBondContact O-N 2.93Å; A114-V117 WeakPolarHBondContact O-CA 3.29Å; A114-V117 WeakPolarHBondContact O-CB 3.28Å; A114-V117 PolarHBondContact O-N 2.71Å; A114-V117 VanDerWaalsContact O-N 3.07Å; W115-V117 VanDerWaalsContact C-N 3.27Å; W115-V117 PolarHBondContact O-N 3.13Å; V117-M119 VanDerWaalsContact C-N 3.33Å; V117-M119 PolarHBondContact O-N 3.36Å; V117-R120 PolarHBondContact O-N 3.37Å; V117-N123 WeakPolarHBondContact CG1-ND2 3.37Å; V117-N123 WeakPolarHBondContact O-CB 3.36Å; V117-N123 PolarHBondContact O-ND2 3.2Å
118L80.6Confident80.6Confident8 Ų860.4 Ų60.44%0.04229%0.285CS..Hα-helixtrans-60.1-38.4178.6178.762.8000112.9F32 A114 W115 R120 N123 F124 F125 V126F32-L118 HydrophobicContact CE2-CB 4.16Å; A114-L118 PolarHBondContact O-N 3.19Å; W115-L118 HydrophobicContact CD2-CD2 4.24Å; W115-L118 HydrophobicContact CE3-CD2 4.06Å; W115-L118 HydrophobicContact CH2-CD2 4.09Å; W115-L118 HydrophobicContact CZ2-CD2 4.26Å; W115-L118 HydrophobicContact CZ3-CD2 3.99Å; W115-L118 PolarHBondContact O-N 3.36Å; L118-R120 PolarHBondContact O-N 3.37Å; L118-N123 CarbonylContact O-C 3.58Å; L118-F124 HydrophobicContact CD1-CD2 4.47Å; L118-F124 HydrophobicContact CG-CD2 4.27Å; L118-F124 VanDerWaalsContact O-CA 3.26Å; L118-F124 WeakPolarHBondContact O-CA 3.45Å; L118-F124 WeakPolarHBondContact O-CB 3.28Å; L118-F124 WeakPolarHBondContact O-CD2 3.33Å; L118-F124 PolarHBondContact O-N 2.87Å; L118-F125 HydrophobicContact CD1-CD1 3.74Å; L118-F125 HydrophobicContact CD1-CE1 3.57Å; L118-F125 HydrophobicContact CD1-CZ 4.29Å; L118-V126 HydrophobicContact CD1-CG1 4.49Å; L118-V126 HydrophobicContact CD1-CG2 4.37Å; L118-V126 HydrophobicContact CD2-CG2 4.3Å
119M78.7Confident79.3Confident112 Ų11261.1 Ų61.155%0.55229%0.289SS*.THydrogen-bonded Turntrans-73.9-4.3-176.5-70.8-67.6171.700114.4W115 V117 F124W115-M119 WeakPolarHBondContact O-CB 3.49Å; W115-M119 WeakPolarHBondContact O-CG 3.49Å; W115-M119 PolarHBondContact O-N 2.63Å; V117-M119 VanDerWaalsContact C-N 3.33Å; V117-M119 PolarHBondContact O-N 3.36Å; M119-F124 HydrophobicContact SD-CD2 4.41Å; M119-F124 HydrophobicContact SD-CE2 4.14Å
120R84.5Confident77.3Confident99 Ų9964 Ų6437%0.37431%0.31SS..SBendtrans-73.1141.3170.4-53.7-176.1-168.6159.15.5109.4E35 V117 L118 E122 N123 F124E35-R120 IonicContact OE2-CZ 2.64Å; E35-R120 IonicContact OE2-NH1 2.87Å; E35-R120 PolarHBondContact OE2-NH1 3.42Å; V117-R120 PolarHBondContact O-N 3.37Å; L118-R120 PolarHBondContact O-N 3.37Å; R120-E122 HydrophobicContact CB-CG 4.3Å; R120-E122 WeakPolarHBondContact CD-OE1 3.41Å; R120-E122 PolarHBondContact O-N 2.94Å; R120-N123 HydrophobicContact CB-CB 4.33Å; R120-N123 CarbonylContact O-C 3.35Å; R120-N123 PolarHBondContact O-N 3.35Å; R120-F124 PolarHBondContact O-N 2.98Å
121E82.9Confident75.2Confident169 Ų16970.3 Ų70.379%0.7935%0.349SS*.THydrogen-bonded Turntrans-57.6-39-174.7-174.5177175.500112.2N123E121-N123 PolarHBondContact O-N 2.8Å
122E87.2Confident73.2Confident97 Ų9771.9 Ų71.945%0.45336%0.357SS..THydrogen-bonded Turntrans-68.8-15.9177.864.9-88.3-157.300114.6K28 N31 R120K28-E122 WeakPolarHBondContact CA-O 3.16Å; N31-E122 PolarHBondContact ND2-O 2.63Å; R120-E122 HydrophobicContact CB-CG 4.3Å; R120-E122 WeakPolarHBondContact CD-OE1 3.41Å; R120-E122 PolarHBondContact O-N 2.94Å
123N80.4Confident71.2Confident1 Ų179.1 Ų79.11%0.00538%0.379CS..THydrogen-bonded Turntrans-115.4-12.5-176.3-67-18.8000113F32 V117 L118 R120 E121 F125F32-N123 HydrophobicContact CB-CB 4.39Å; F32-N123 HydrophobicContact CD2-CB 4.41Å; V117-N123 WeakPolarHBondContact CG1-ND2 3.37Å; V117-N123 WeakPolarHBondContact O-CB 3.36Å; V117-N123 PolarHBondContact O-ND2 3.2Å; L118-N123 CarbonylContact O-C 3.58Å; R120-N123 HydrophobicContact CB-CB 4.33Å; R120-N123 CarbonylContact O-C 3.35Å; R120-N123 PolarHBondContact O-N 3.35Å; E121-N123 PolarHBondContact O-N 2.8Å; N123-F125 VanDerWaalsContact C-N 3.27Å; N123-F125 VanDerWaalsContact O-CD1 3.29Å; N123-F125 WeakPolarHBondContact O-CD1 3.46Å; N123-F125 PolarHBondContact O-N 2.87Å
124F80.3Confident69Low70 Ų7089 Ų8931%0.30742%0.421SS..  trans-75.475.2-173.2-167.5-110.4000112.1L118 M119 R120 V126 E127L118-F124 HydrophobicContact CD1-CD2 4.47Å; L118-F124 HydrophobicContact CG-CD2 4.27Å; L118-F124 VanDerWaalsContact O-CA 3.26Å; L118-F124 WeakPolarHBondContact O-CA 3.45Å; L118-F124 WeakPolarHBondContact O-CB 3.28Å; L118-F124 WeakPolarHBondContact O-CD2 3.33Å; L118-F124 PolarHBondContact O-N 2.87Å; M119-F124 HydrophobicContact SD-CD2 4.41Å; M119-F124 HydrophobicContact SD-CE2 4.14Å; R120-F124 PolarHBondContact O-N 2.98Å; F124-V126 HydrophobicContact CD2-CG2 3.97Å; F124-V126 HydrophobicContact CE1-CG2 4.42Å; F124-V126 HydrophobicContact CE2-CG2 3.46Å; F124-V126 VanDerWaalsContact CE2-CG2 3.46Å; F124-V126 HydrophobicContact CZ-CG2 3.72Å; F124-E127 HydrophobicContact CD1-CB 3.96Å; F124-E127 HydrophobicContact CE1-CB 3.96Å
125F78.2Confident67.3Low23 Ų2392 Ų9210%0.10145%0.452CS..THydrogen-bonded Turntrans-82.9-10.9-175.272.1-100.2000113.8I24 K28 I29 F32 L118 N123 E127I24-F125 HydrophobicContact CD1-CD2 4.21Å; I24-F125 HydrophobicContact CD1-CE2 4.42Å; I24-F125 HydrophobicContact CG1-CD2 4.38Å; I24-F125 HydrophobicContact CG2-CB 4Å; I24-F125 HydrophobicContact CG2-CD2 3.93Å; I24-F125 HydrophobicContact CG2-CG 4.27Å; K28-F125 HydrophobicContact CB-CB 4.06Å; I29-F125 HydrophobicContact CD1-CD1 3.44Å; I29-F125 VanDerWaalsContact CD1-CD1 3.44Å; I29-F125 HydrophobicContact CD1-CD2 3.77Å; I29-F125 HydrophobicContact CD1-CE1 3.4Å; I29-F125 HydrophobicContact CD1-CE2 3.73Å; I29-F125 HydrophobicContact CD1-CG 3.65Å; I29-F125 HydrophobicContact CD1-CZ 3.55Å; F32-F125 HydrophobicContact CB-CD1 4.24Å; F32-F125 HydrophobicContact CB-CE1 4.4Å; F32-F125 HydrophobicContact CD1-CD1 4.44Å; F32-F125 AromaticContact CD1-CE1 3.79Å; F32-F125 HydrophobicContact CD1-CE1 3.79Å; F32-F125 HydrophobicContact CD2-CE1 4.25Å; F32-F125 HydrophobicContact CE1-CE1 4.12Å; F32-F125 HydrophobicContact CG-CD1 4.18Å; F32-F125 AromaticContact CG-CE1 3.87Å; F32-F125 HydrophobicContact CG-CE1 3.87Å; F32-F125 HydrophobicContact CZ-CE1 4.49Å; L118-F125 HydrophobicContact CD1-CD1 3.74Å; L118-F125 HydrophobicContact CD1-CE1 3.57Å; L118-F125 HydrophobicContact CD1-CZ 4.29Å; N123-F125 VanDerWaalsContact C-N 3.27Å; N123-F125 VanDerWaalsContact O-CD1 3.29Å; N123-F125 WeakPolarHBondContact O-CD1 3.46Å; N123-F125 PolarHBondContact O-N 2.87Å; F125-E127 VanDerWaalsContact C-N 3.28Å; F125-E127 PolarHBondContact O-N 3.37Å
126V69.1Low65.9Low33 Ų3389.4 Ų89.420%0.245%0.446CS..THydrogen-bonded Turntrans-86.910179.9-61.10000113.8L118 F124 N128 L129L118-V126 HydrophobicContact CD1-CG1 4.49Å; L118-V126 HydrophobicContact CD1-CG2 4.37Å; L118-V126 HydrophobicContact CD2-CG2 4.3Å; F124-V126 HydrophobicContact CD2-CG2 3.97Å; F124-V126 HydrophobicContact CE1-CG2 4.42Å; F124-V126 HydrophobicContact CE2-CG2 3.46Å; F124-V126 VanDerWaalsContact CE2-CG2 3.46Å; F124-V126 HydrophobicContact CZ-CG2 3.72Å; V126-N128 PolarHBondContact O-N 2.79Å; V126-N128 VanDerWaalsContact O-N 3.13Å; V126-L129 HydrophobicContact CB-CB 4.32Å; V126-L129 HydrophobicContact CB-CD1 3.72Å; V126-L129 HydrophobicContact CB-CG 4Å; V126-L129 HydrophobicContact CG1-CD1 3.58Å; V126-L129 HydrophobicContact CG1-CG 4.31Å; V126-L129 WeakPolarHBondContact O-CB 3.5Å; V126-L129 PolarHBondContact O-N 2.92Å
127E66.9Low64.7Low70 Ų7088 Ų8833%0.32744%0.439SS..G310 helixtrans-51.3-39.4-179.366.3-167.5159.300112.9K28 F124 F125 S130K28-E127 IonicContact NZ-OE1 3.25Å; K28-E127 PolarHBondContact NZ-OE1 3.49Å; K28-E127 IonicContact NZ-OE2 2.76Å; K28-E127 PolarHBondContact NZ-OE2 3.05Å; F124-E127 HydrophobicContact CD1-CB 3.96Å; F124-E127 HydrophobicContact CE1-CB 3.96Å; F125-E127 VanDerWaalsContact C-N 3.28Å; F125-E127 PolarHBondContact O-N 3.37Å; E127-S130 PolarHBondContact O-N 2.79Å; E127-S130 PolarHBondContact O-OG 3.37Å
128N58.7Low63.8Low77 Ų7792.1 Ų92.141%0.41246%0.459SS..G310 helixtrans-82.4-12.7-179.3-63.9-37.1000113.9Q23 V126 S130Q23-N128 PolarHBondContact O-ND2 3.33Å; V126-N128 PolarHBondContact O-N 2.79Å; V126-N128 VanDerWaalsContact O-N 3.13Å; N128-S130 PolarHBondContact O-N 2.9Å
129L57.5Low63.3Low85 Ų8591.8 Ų91.845%0.44546%0.457SS..G310 helixtrans-69.8-20.5172.2-60-172000111.5F22 V126 T131F22-L129 HydrophobicContact CB-CD2 3.67Å; F22-L129 HydrophobicContact CD1-CD2 3.25Å; F22-L129 HydrophobicContact CD2-CD2 4.15Å; F22-L129 HydrophobicContact CE1-CD2 3.84Å; F22-L129 HydrophobicContact CG-CD2 3.44Å; F22-L129 VanDerWaalsContact CG-CD2 3.44Å; F22-L129 HydrophobicContact CZ-CD2 4.47Å; V126-L129 HydrophobicContact CB-CB 4.32Å; V126-L129 HydrophobicContact CB-CD1 3.72Å; V126-L129 HydrophobicContact CB-CG 4Å; V126-L129 HydrophobicContact CG1-CD1 3.58Å; V126-L129 HydrophobicContact CG1-CG 4.31Å; V126-L129 WeakPolarHBondContact O-CB 3.5Å; V126-L129 PolarHBondContact O-N 2.92Å; L129-T131 PolarHBondContact O-N 3.38Å
130S47.5Very low63.1Low74 Ų7488.5 Ų88.552%0.51744%0.442SS..  trans-74.175.5164.269.90000109.9E127 N128 I132E127-S130 PolarHBondContact O-N 2.79Å; E127-S130 PolarHBondContact O-OG 3.37Å; N128-S130 PolarHBondContact O-N 2.9Å; S130-I132 CarbonylContact O-C 3.59Å; S130-I132 PolarHBondContact O-N 2.9Å
131T43.5Very low62.6Low136 Ų13685 Ų8583%0.83443%0.429SS*.  trans-64-1.9164.2-36.30000111.7L129 R133L129-T131 PolarHBondContact O-N 3.38Å; T131-R133 VanDerWaalsContact C-N 3.27Å; T131-R133 PolarHBondContact O-N 3.17Å; T131-R133 VanDerWaalsContact O-N 3.15Å
132I40Very low62.7Low123 Ų12378.1 Ų78.163%0.63140%0.397SS*.SBendtrans-79.483.2155.5-50.2179.5000107.3S130 K134S130-I132 CarbonylContact O-C 3.59Å; S130-I132 PolarHBondContact O-N 2.9Å; I132-K134 PolarHBondContact O-N 3.5Å
133R40.3Very low62.5Low186 Ų18676.7 Ų76.770%0.70239%0.392SS*.  trans-44.9121.7158-100.6-174.6177.4-153.8-0.6106.8T131 G135 E136T131-R133 VanDerWaalsContact C-N 3.27Å; T131-R133 PolarHBondContact O-N 3.17Å; T131-R133 VanDerWaalsContact O-N 3.15Å; R133-G135 VanDerWaalsContact C-N 3.3Å; R133-G135 PolarHBondContact O-N 3.35Å; R133-E136 IonicContact NH1-OE2 3.51Å
134K41.9Very low62.6Low219 Ų21983.8 Ų83.895%0.95242%0.419SS*.THydrogen-bonded Turntrans-53.799165.7-79.7-179.4175.8174.80108I132I132-K134 PolarHBondContact O-N 3.5Å
135G47.1Very low63Low65 Ų6588 Ų8867%0.6743%0.433SS*.THydrogen-bonded Turntrans119.7-4.5159.200000119.2R133R133-G135 VanDerWaalsContact C-N 3.3Å; R133-G135 PolarHBondContact O-N 3.35Å
136E49.6Very low63.4Low86 Ų8690 Ų9040%0.40246%0.46SS..  trans-139.889.3179.1-66.1-175.5148.400110.8R133 R144R133-E136 IonicContact NH1-OE2 3.51Å; E136-R144 IonicContact OE1-CZ 2.83Å; E136-R144 IonicContact OE1-NE 3.24Å; E136-R144 IonicContact OE1-NH2 2.89Å; E136-R144 PolarHBondContact OE1-NH2 3.02Å
137F57.9Low64.2Low106 Ų10693.8 Ų93.847%0.46548%0.475SS..  trans-64.1137.6165.9-66-82.1000108.6G139 D140 E141F137-G139 PolarHBondContact O-N 3.39Å; F137-G139 VanDerWaalsContact O-N 3.1Å; F137-D140 HydrophobicContact CB-CB 4.38Å; F137-D140 WeakPolarHBondContact O-CA 3.41Å; F137-D140 WeakPolarHBondContact O-CB 3.5Å; F137-D140 PolarHBondContact O-N 3.46Å; F137-E141 PolarHBondContact O-N 3.28Å
138Q67.3Low65.1Low96 Ų9696 Ų9645%0.44950%0.496SS..Hα-helixtrans-49.8-41.9-177177.7178.9-25.700112.5D140 E141 E142 S150 M153Q138-D140 PolarHBondContact O-N 2.94Å; Q138-E141 WeakPolarHBondContact O-CB 3.43Å; Q138-E141 PolarHBondContact O-N 3.02Å; Q138-E142 HydrophobicContact CG-CG 4.37Å; Q138-E142 PolarHBondContact NE2-OE1 2.96Å; Q138-E142 WeakPolarHBondContact O-CG 3.26Å; Q138-E142 PolarHBondContact O-N 3.43Å; Q138-S150 PolarHBondContact NE2-OG 2.93Å; Q138-M153 HydrophobicContact CB-CB 4.41Å; Q138-M153 HydrophobicContact CB-CG 4.35Å; Q138-M153 HydrophobicContact CB-SD 4.16Å; Q138-M153 HydrophobicContact CG-CB 4.39Å; Q138-M153 HydrophobicContact CG-CG 4.16Å; Q138-M153 HydrophobicContact CG-SD 4.46Å
139G69.9Low66Low1 Ų194.2 Ų94.21%0.0149%0.488CS..Hα-helixtrans-65-38.2176.700000113.8F137 E141 E142 I143 M153F137-G139 PolarHBondContact O-N 3.39Å; F137-G139 VanDerWaalsContact O-N 3.1Å; G139-E141 PolarHBondContact O-N 3.12Å; G139-E142 PolarHBondContact O-N 2.91Å; G139-I143 WeakPolarHBondContact O-CD1 3.4Å; G139-I143 WeakPolarHBondContact O-CG1 2.86Å; G139-I143 PolarHBondContact O-N 2.9Å; G139-M153 VanDerWaalsContact CA-O 3.28Å; G139-M153 WeakPolarHBondContact CA-O 3.46Å; G139-M153 PolarHBondContact N-O 3.33Å
140D73.9Confident66.7Low43 Ų4392.6 Ų92.623%0.2348%0.483CS..Hα-helixtrans-63.1-35.8174.5-66.7-17.3000110.7F137 Q138 R144 R155F137-D140 HydrophobicContact CB-CB 4.38Å; F137-D140 WeakPolarHBondContact O-CA 3.41Å; F137-D140 WeakPolarHBondContact O-CB 3.5Å; F137-D140 PolarHBondContact O-N 3.46Å; Q138-D140 PolarHBondContact O-N 2.94Å; D140-R144 VanDerWaalsContact O-CB 3.27Å; D140-R144 WeakPolarHBondContact O-CB 3.28Å; D140-R144 PolarHBondContact O-N 3.4Å; D140-R155 IonicContact OD1-CZ 3.5Å; D140-R155 IonicContact OD1-NE 2.7Å; D140-R155 PolarHBondContact OD1-NE 3.46Å; D140-R155 VanDerWaalsContact OD1-NE 3.11Å; D140-R155 IonicContact OD1-NH2 3.74Å; D140-R155 PolarHBondContact OD1-NH2 3.32Å; D140-R155 IonicContact OD2-CZ 3.32Å; D140-R155 VanDerWaalsContact OD2-CZ 3.24Å; D140-R155 IonicContact OD2-NE 3.39Å; D140-R155 PolarHBondContact OD2-NE 2.84Å; D140-R155 IonicContact OD2-NH2 3.11Å; D140-R155 PolarHBondContact OD2-NH2 3.16Å
141E75Confident67.7Low25 Ų2595.5 Ų95.512%0.11749%0.493CS..Hα-helixtrans-70.5-43176.8-174.662.4-171.200112.9F137 Q138 G139 R144 R145F137-E141 PolarHBondContact O-N 3.28Å; Q138-E141 WeakPolarHBondContact O-CB 3.43Å; Q138-E141 PolarHBondContact O-N 3.02Å; G139-E141 PolarHBondContact O-N 3.12Å; E141-R144 PolarHBondContact O-N 3.07Å; E141-R144 IonicContact OE1-CZ 2.74Å; E141-R144 IonicContact OE1-NE 3.63Å; E141-R144 IonicContact OE1-NH1 3.97Å; E141-R144 IonicContact OE1-NH2 2.73Å; E141-R144 PolarHBondContact OE1-NH2 3.06Å; E141-R144 IonicContact OE2-CZ 2.75Å; E141-R144 IonicContact OE2-NE 3.65Å; E141-R144 PolarHBondContact OE2-NE 3.36Å; E141-R144 IonicContact OE2-NH1 3.07Å; E141-R144 IonicContact OE2-NH2 3.24Å; E141-R144 PolarHBondContact OE2-NH2 3.46Å; E141-R145 WeakPolarHBondContact O-CB 3.18Å; E141-R145 WeakPolarHBondContact O-CG 3.4Å; E141-R145 PolarHBondContact O-N 3.39Å; E141-R145 IonicContact OE1-CZ 3.54Å; E141-R145 IonicContact OE1-NE 2.91Å; E141-R145 PolarHBondContact OE1-NE 2.95Å; E141-R145 IonicContact OE1-NH2 3.62Å; E141-R145 PolarHBondContact OE1-NH2 3.35Å
142E85.1Confident68.6Low25 Ų2595 Ų9512%0.11748%0.48CS..Hα-helixtrans-61.6-45.3175.9-73.4166.416000110.3Q138 G139 R144 R145 G146 H147 V149 S150Q138-E142 HydrophobicContact CG-CG 4.37Å; Q138-E142 PolarHBondContact NE2-OE1 2.96Å; Q138-E142 WeakPolarHBondContact O-CG 3.26Å; Q138-E142 PolarHBondContact O-N 3.43Å; G139-E142 PolarHBondContact O-N 2.91Å; E142-R144 PolarHBondContact O-N 2.88Å; E142-R145 CarbonylContact O-C 3.59Å; E142-R145 PolarHBondContact O-N 3.2Å; E142-G146 PolarHBondContact O-N 3.38Å; E142-H147 HydrophobicContact CB-CB 4.29Å; E142-H147 PolarHBondContact O-N 2.89Å; E142-V149 HydrophobicContact CB-CG2 4.31Å; E142-V149 VanDerWaalsContact OE2-CA 3.28Å; E142-V149 WeakPolarHBondContact OE2-CA 3.49Å; E142-V149 WeakPolarHBondContact OE2-CG1 3.13Å; E142-S150 WeakPolarHBondContact OE1-CB 3.49Å; E142-S150 PolarHBondContact OE1-OG 2.95Å; E142-S150 PolarHBondContact OE2-N 3.4Å
143I81.5Confident69.9Low67 Ų6793 Ų9334%0.34447%0.469SS..Hα-helixtrans-58.5-48.6172.9-64.6154.9000110.6G139 R145 G146 V149G139-I143 WeakPolarHBondContact O-CD1 3.4Å; G139-I143 WeakPolarHBondContact O-CG1 2.86Å; G139-I143 PolarHBondContact O-N 2.9Å; I143-R145 PolarHBondContact O-N 2.87Å; I143-G146 PolarHBondContact O-N 3.5Å; I143-V149 HydrophobicContact CD1-CG2 4.17Å; I143-V149 HydrophobicContact CG1-CG2 3.55Å
144R83.4Confident71.2Confident149 Ų14985.1 Ų85.156%0.56244%0.44SS*.Hα-helixtrans-60.6-33.3-179-176.8172.564.582.5-28.8112.3E136 D140 E141 E142E136-R144 IonicContact OE1-CZ 2.83Å; E136-R144 IonicContact OE1-NE 3.24Å; E136-R144 IonicContact OE1-NH2 2.89Å; E136-R144 PolarHBondContact OE1-NH2 3.02Å; D140-R144 VanDerWaalsContact O-CB 3.27Å; D140-R144 WeakPolarHBondContact O-CB 3.28Å; D140-R144 PolarHBondContact O-N 3.4Å; E141-R144 PolarHBondContact O-N 3.07Å; E141-R144 IonicContact OE1-CZ 2.74Å; E141-R144 IonicContact OE1-NE 3.63Å; E141-R144 IonicContact OE1-NH1 3.97Å; E141-R144 IonicContact OE1-NH2 2.73Å; E141-R144 PolarHBondContact OE1-NH2 3.06Å; E141-R144 IonicContact OE2-CZ 2.75Å; E141-R144 IonicContact OE2-NE 3.65Å; E141-R144 PolarHBondContact OE2-NE 3.36Å; E141-R144 IonicContact OE2-NH1 3.07Å; E141-R144 IonicContact OE2-NH2 3.24Å; E141-R144 PolarHBondContact OE2-NH2 3.46Å; E142-R144 PolarHBondContact O-N 2.88Å
145R87.9Confident72.3Confident158 Ų15881.7 Ų81.760%0.59642%0.421SS*.Hα-helixtrans-89-3.8177.9-67.1-175.7-174.8-160.97.8114E141 E142 I143 H147E141-R145 WeakPolarHBondContact O-CB 3.18Å; E141-R145 WeakPolarHBondContact O-CG 3.4Å; E141-R145 PolarHBondContact O-N 3.39Å; E141-R145 IonicContact OE1-CZ 3.54Å; E141-R145 IonicContact OE1-NE 2.91Å; E141-R145 PolarHBondContact OE1-NE 2.95Å; E141-R145 IonicContact OE1-NH2 3.62Å; E141-R145 PolarHBondContact OE1-NH2 3.35Å; E142-R145 CarbonylContact O-C 3.59Å; E142-R145 PolarHBondContact O-N 3.2Å; I143-R145 PolarHBondContact O-N 2.87Å; R145-H147 VanDerWaalsContact C-N 3.28Å
146G86.9Confident73.2Confident66 Ų6686.2 Ų86.268%0.6842%0.418SS*.THydrogen-bonded Turntrans70.523.2-176.100000113.7E142 I143E142-G146 PolarHBondContact O-N 3.38Å; I143-G146 PolarHBondContact O-N 3.5Å
147H86.9Confident74.1Confident112 Ų11287.3 Ų87.352%0.51943%0.431SS..PPolyproline II helixtrans-86.4149.1171.6-68-49.5000110.6E142 R145 V149E142-H147 HydrophobicContact CB-CB 4.29Å; E142-H147 PolarHBondContact O-N 2.89Å; R145-H147 VanDerWaalsContact C-N 3.28Å; H147-V149 PolarHBondContact O-N 3.39Å
148P86Confident74.3Confident117 Ų11783.3 Ų83.376%0.7642%0.416SS*.PPolyproline II helixtrans-53.6133164-21.332.4000109.5S150P148-S150 PolarHBondContact O-N 3.26Å
149V75.8Confident74.5Confident40 Ų4080.2 Ų80.224%0.24240%0.402CS..PPolyproline II helixtrans-70130.5177.5-176.50000108.5E142 I143 H147 M153 D154E142-V149 HydrophobicContact CB-CG2 4.31Å; E142-V149 VanDerWaalsContact OE2-CA 3.28Å; E142-V149 WeakPolarHBondContact OE2-CA 3.49Å; E142-V149 WeakPolarHBondContact OE2-CG1 3.13Å; I143-V149 HydrophobicContact CD1-CG2 4.17Å; I143-V149 HydrophobicContact CG1-CG2 3.55Å; H147-V149 PolarHBondContact O-N 3.39Å; V149-M153 HydrophobicContact CG1-CB 4.05Å; V149-D154 HydrophobicContact CB-CB 4.32Å; V149-D154 HydrophobicContact CG1-CB 3.59Å
150S73Confident74.3Confident50 Ų5082.1 Ų82.135%0.3541%0.414SS..PPolyproline II helixtrans-61.1145.1175.7-66.20000109.9Q138 E142 P148 F152 M153Q138-S150 PolarHBondContact NE2-OG 2.93Å; E142-S150 WeakPolarHBondContact OE1-CB 3.49Å; E142-S150 PolarHBondContact OE1-OG 2.95Å; E142-S150 PolarHBondContact OE2-N 3.4Å; P148-S150 PolarHBondContact O-N 3.26Å; S150-F152 PolarHBondContact O-N 3.22Å; S150-M153 WeakPolarHBondContact O-CB 3.47Å; S150-M153 PolarHBondContact O-N 3.24Å
151D69.7Low74.2Confident135 Ų13580.2 Ų80.272%0.72240%0.404SS*.THydrogen-bonded Turntrans-49.8134.7176.5-68.4-25.5000110.1M153D151-M153 PolarHBondContact O-N 3.32Å; D151-M153 VanDerWaalsContact O-N 3.14Å
152F61.2Low74.1Confident127 Ų12783.9 Ų83.956%0.55742%0.421SS*.THydrogen-bonded Turntrans68.5-3.2-178.4-41.1-68000117S150 L163S150-F152 PolarHBondContact O-N 3.22Å; F152-L163 HydrophobicContact CB-CD1 4.23Å; F152-L163 HydrophobicContact CB-CD2 3.92Å; F152-L163 HydrophobicContact CD1-CD2 3.44Å; F152-L163 VanDerWaalsContact CD1-CD2 3.44Å; F152-L163 HydrophobicContact CD1-CG 4.12Å; F152-L163 HydrophobicContact CD2-CD2 4.33Å; F152-L163 HydrophobicContact CE1-CD2 4.01Å; F152-L163 HydrophobicContact CG-CD2 3.62Å
153M66.7Low73.3Confident80 Ų8085.2 Ų85.239%0.39443%0.429SS..THydrogen-bonded Turntrans-88-13.9177-60.6-60.3173.600113Q138 G139 V149 S150 D151 R155Q138-M153 HydrophobicContact CB-CB 4.41Å; Q138-M153 HydrophobicContact CB-CG 4.35Å; Q138-M153 HydrophobicContact CB-SD 4.16Å; Q138-M153 HydrophobicContact CG-CB 4.39Å; Q138-M153 HydrophobicContact CG-CG 4.16Å; Q138-M153 HydrophobicContact CG-SD 4.46Å; G139-M153 VanDerWaalsContact CA-O 3.28Å; G139-M153 WeakPolarHBondContact CA-O 3.46Å; G139-M153 PolarHBondContact N-O 3.33Å; V149-M153 HydrophobicContact CG1-CB 4.05Å; S150-M153 WeakPolarHBondContact O-CB 3.47Å; S150-M153 PolarHBondContact O-N 3.24Å; D151-M153 PolarHBondContact O-N 3.32Å; D151-M153 VanDerWaalsContact O-N 3.14Å; M153-R155 PolarHBondContact O-N 3.3Å
154D69.3Low72.5Confident21 Ų2185.6 Ų85.611%0.11243%0.429CS..  trans-83.297.4174.1-164-17.8000111.3V149 R156 T157 C158V149-D154 HydrophobicContact CB-CB 4.32Å; V149-D154 HydrophobicContact CG1-CB 3.59Å; D154-R156 PolarHBondContact O-N 3.17Å; D154-R156 WeakPolarHBondContact OD1-CA 3.25Å; D154-R156 WeakPolarHBondContact OD1-CB 3.33Å; D154-R156 WeakPolarHBondContact OD1-CG 3.25Å; D154-R156 IonicContact OD1-CZ 2.76Å; D154-R156 PolarHBondContact OD1-N 3.36Å; D154-R156 IonicContact OD1-NE 3.11Å; D154-R156 PolarHBondContact OD1-NE 2.95Å; D154-R156 IonicContact OD1-NH2 2.66Å; D154-R156 IonicContact OD2-CZ 3.89Å; D154-R156 IonicContact OD2-NE 3.11Å; D154-R156 PolarHBondContact OD2-NE 2.96Å; D154-R156 IonicContact OD2-NH2 2.7Å; D154-R156 PolarHBondContact OD2-NH2 2.97Å; D154-T157 WeakPolarHBondContact CB-OG1 3.29Å; D154-T157 PolarHBondContact O-N 2.95Å; D154-T157 VanDerWaalsContact O-N 3.09Å; D154-C158 WeakPolarHBondContact O-CB 3.33Å; D154-C158 PolarHBondContact O-N 2.92Å
155R64.3Low72Confident146 Ų14679.1 Ų79.155%0.55141%0.407SS*.THydrogen-bonded Turntrans-57.5-17.4174.162.8176.1171.5157-2.5114.6D140 M153D140-R155 IonicContact OD1-CZ 3.5Å; D140-R155 IonicContact OD1-NE 2.7Å; D140-R155 PolarHBondContact OD1-NE 3.46Å; D140-R155 VanDerWaalsContact OD1-NE 3.11Å; D140-R155 IonicContact OD1-NH2 3.74Å; D140-R155 PolarHBondContact OD1-NH2 3.32Å; D140-R155 IonicContact OD2-CZ 3.32Å; D140-R155 VanDerWaalsContact OD2-CZ 3.24Å; D140-R155 IonicContact OD2-NE 3.39Å; D140-R155 PolarHBondContact OD2-NE 2.84Å; D140-R155 IonicContact OD2-NH2 3.11Å; D140-R155 PolarHBondContact OD2-NH2 3.16Å; M153-R155 PolarHBondContact O-N 3.3Å
156R65.9Low71.2Confident160 Ų16074 Ų7460%0.60440%0.395SS*.THydrogen-bonded Turntrans-80.1-22.6179.6-54.1166.9-64.3-178.47.9112.4D154D154-R156 PolarHBondContact O-N 3.17Å; D154-R156 WeakPolarHBondContact OD1-CA 3.25Å; D154-R156 WeakPolarHBondContact OD1-CB 3.33Å; D154-R156 WeakPolarHBondContact OD1-CG 3.25Å; D154-R156 IonicContact OD1-CZ 2.76Å; D154-R156 PolarHBondContact OD1-N 3.36Å; D154-R156 IonicContact OD1-NE 3.11Å; D154-R156 PolarHBondContact OD1-NE 2.95Å; D154-R156 IonicContact OD1-NH2 2.66Å; D154-R156 IonicContact OD2-CZ 3.89Å; D154-R156 IonicContact OD2-NE 3.11Å; D154-R156 PolarHBondContact OD2-NE 2.96Å; D154-R156 IonicContact OD2-NH2 2.7Å; D154-R156 PolarHBondContact OD2-NH2 2.97Å
157T68.4Low70.3Confident109 Ų10976.2 Ų76.267%0.66939%0.386SS*.THydrogen-bonded Turntrans-124.4-3.1-178.262.50000113D154 N159D154-T157 WeakPolarHBondContact CB-OG1 3.29Å; D154-T157 PolarHBondContact O-N 2.95Å; D154-T157 VanDerWaalsContact O-N 3.09Å; T157-N159 PolarHBondContact O-N 3.44Å
158C63.1Low69.8Low22 Ų2271.7 Ų71.715%0.14937%0.366CS..  trans-64.8116.7-177.4175.50000111.9D154 V160 L163D154-C158 WeakPolarHBondContact O-CB 3.33Å; D154-C158 PolarHBondContact O-N 2.92Å; C158-V160 PolarHBondContact O-N 2.9Å; C158-V160 VanDerWaalsContact O-N 3.15Å; C158-L163 WeakPolarHBondContact SG-CD1 3.34Å
159N70.5Confident69.3Low31 Ų3168.6 Ų68.617%0.16634%0.343CS..  trans-79.793.4168.5-172.1-16.2000109.7T157 A161 E162 L163T157-N159 PolarHBondContact O-N 3.44Å; N159-A161 PolarHBondContact O-N 3.44Å; N159-A161 WeakPolarHBondContact OD1-CB 3.49Å; N159-A161 PolarHBondContact OD1-N 3.31Å; N159-E162 HydrophobicContact CB-CB 3.86Å; N159-E162 PolarHBondContact O-N 3.48Å; N159-E162 PolarHBondContact OD1-N 3.31Å; N159-E162 VanDerWaalsContact OD1-N 3.16Å; N159-L163 PolarHBondContact O-N 3.36Å
160V65.6Low69.1Low42 Ų4273.4 Ų73.426%0.25536%0.362SS..Hα-helixtrans-56.1-39.7179.9177.30000111.3C158 E162 L163 Q164 P218 L221C158-V160 PolarHBondContact O-N 2.9Å; C158-V160 VanDerWaalsContact O-N 3.15Å; V160-E162 PolarHBondContact O-N 3.27Å; V160-L163 WeakPolarHBondContact O-CB 3.43Å; V160-L163 PolarHBondContact O-N 3.47Å; V160-Q164 HydrophobicContact CG1-CG 4.2Å; V160-Q164 WeakPolarHBondContact O-CG 3.24Å; V160-Q164 PolarHBondContact O-N 2.98Å; V160-P218 HydrophobicContact CG2-CB 4.42Å; V160-L221 HydrophobicContact CG1-CD1 4.42Å
161A71.7Confident68.4Low2 Ų274.7 Ų74.72%0.01737%0.368CS..Hα-helixtrans-66.1-40.8-178.300000112.1N159 L163 Q164 S165 W207 T210 A211N159-A161 PolarHBondContact O-N 3.44Å; N159-A161 WeakPolarHBondContact OD1-CB 3.49Å; N159-A161 PolarHBondContact OD1-N 3.31Å; A161-L163 VanDerWaalsContact C-N 3.35Å; A161-Q164 PolarHBondContact O-N 2.94Å; A161-S165 WeakPolarHBondContact O-CB 3.34Å; A161-S165 PolarHBondContact O-N 3Å; A161-S165 PolarHBondContact O-OG 3.31Å; A161-W207 HydrophobicContact CB-CE3 3.95Å; A161-W207 HydrophobicContact CB-CZ3 4.47Å; A161-T210 HydrophobicContact CB-CG2 3.58Å; A161-A211 HydrophobicContact CB-CB 3.83Å
162E73.6Confident68.1Low102 Ų10270 Ų7048%0.47734%0.344SS..Hα-helixtrans-62.9-42.9174-167.7173-175.100111N159 V160 S165 S166 A211N159-E162 HydrophobicContact CB-CB 3.86Å; N159-E162 PolarHBondContact O-N 3.48Å; N159-E162 PolarHBondContact OD1-N 3.31Å; N159-E162 VanDerWaalsContact OD1-N 3.16Å; V160-E162 PolarHBondContact O-N 3.27Å; E162-S165 PolarHBondContact O-N 3.05Å; E162-S165 PolarHBondContact O-OG 3.16Å; E162-S166 WeakPolarHBondContact O-CB 2.89Å; E162-S166 PolarHBondContact O-N 3.42Å; E162-A211 HydrophobicContact CB-CB 4.41Å
163L66.9Low68.4Low53 Ų5365.5 Ų65.528%0.27733%0.328SS..Hα-helixtrans-61.3-46.1174.9-76.6-176.4000113.3F152 C158 N159 V160 A161 S166 F167F152-L163 HydrophobicContact CB-CD1 4.23Å; F152-L163 HydrophobicContact CB-CD2 3.92Å; F152-L163 HydrophobicContact CD1-CD2 3.44Å; F152-L163 VanDerWaalsContact CD1-CD2 3.44Å; F152-L163 HydrophobicContact CD1-CG 4.12Å; F152-L163 HydrophobicContact CD2-CD2 4.33Å; F152-L163 HydrophobicContact CE1-CD2 4.01Å; F152-L163 HydrophobicContact CG-CD2 3.62Å; C158-L163 WeakPolarHBondContact SG-CD1 3.34Å; N159-L163 PolarHBondContact O-N 3.36Å; V160-L163 WeakPolarHBondContact O-CB 3.43Å; V160-L163 PolarHBondContact O-N 3.47Å; A161-L163 VanDerWaalsContact C-N 3.35Å; L163-S166 PolarHBondContact O-N 2.92Å; L163-F167 VanDerWaalsContact O-CB 3.3Å; L163-F167 WeakPolarHBondContact O-CB 3.06Å; L163-F167 PolarHBondContact O-N 3.16Å
164Q66.5Low68.2Low75 Ų7565 Ų6535%0.3533%0.331SS..Hα-helixtrans-61.6-49.1177.7-68.7-56.6-39.800110.6V160 A161 S166 F167 M168 W207V160-Q164 HydrophobicContact CG1-CG 4.2Å; V160-Q164 WeakPolarHBondContact O-CG 3.24Å; V160-Q164 PolarHBondContact O-N 2.98Å; A161-Q164 PolarHBondContact O-N 2.94Å; Q164-S166 VanDerWaalsContact C-N 3.34Å; Q164-S166 PolarHBondContact O-N 3.02Å; Q164-F167 PolarHBondContact O-N 2.76Å; Q164-M168 WeakPolarHBondContact O-CB 3.33Å; Q164-M168 WeakPolarHBondContact O-CG 3.42Å; Q164-M168 PolarHBondContact O-N 2.86Å; Q164-W207 HydrophobicContact CB-CB 4.11Å; Q164-W207 HydrophobicContact CB-CD2 3.6Å; Q164-W207 HydrophobicContact CB-CE3 4.09Å; Q164-W207 HydrophobicContact CB-CG 3.59Å; Q164-W207 HydrophobicContact CG-CD2 3.9Å; Q164-W207 HydrophobicContact CG-CE3 4.14Å; Q164-W207 HydrophobicContact CG-CG 4.39Å; Q164-W207 HydrophobicContact CG-CH2 4.34Å; Q164-W207 HydrophobicContact CG-CZ2 4.11Å; Q164-W207 HydrophobicContact CG-CZ3 4.35Å
165S71.6Confident67.6Low14 Ų1468.8 Ų68.810%0.09835%0.351CS..Hα-helixtrans-62.5-40179.273.10000112.5A161 E162 M168 N169A161-S165 WeakPolarHBondContact O-CB 3.34Å; A161-S165 PolarHBondContact O-N 3Å; A161-S165 PolarHBondContact O-OG 3.31Å; E162-S165 PolarHBondContact O-N 3.05Å; E162-S165 PolarHBondContact O-OG 3.16Å; S165-M168 PolarHBondContact O-N 3.01Å; S165-N169 WeakPolarHBondContact O-CB 3.32Å; S165-N169 VanDerWaalsContact O-CG 3.24Å; S165-N169 PolarHBondContact O-N 3.03Å; S165-N169 PolarHBondContact O-ND2 3.5Å
166S71.3Confident67.6Low51 Ų5162.4 Ų62.436%0.35733%0.328SS..Hα-helixtrans-64.3-47.9176.3-178.70000111.6E162 L163 Q164 M168 N169 H170E162-S166 WeakPolarHBondContact O-CB 2.89Å; E162-S166 PolarHBondContact O-N 3.42Å; L163-S166 PolarHBondContact O-N 2.92Å; Q164-S166 VanDerWaalsContact C-N 3.34Å; Q164-S166 PolarHBondContact O-N 3.02Å; S166-M168 VanDerWaalsContact C-N 3.34Å; S166-M168 PolarHBondContact O-N 3.04Å; S166-N169 PolarHBondContact O-N 3.39Å; S166-H170 WeakPolarHBondContact O-CB 3.14Å; S166-H170 PolarHBondContact O-CD2 2.9Å; S166-H170 VanDerWaalsContact O-CD2 3.27Å; S166-H170 PolarHBondContact O-N 3.15Å; S166-H170 PolarHBondContact OG-CD2 2.95Å
167F68.6Low67.9Low111 Ų11159 Ų5949%0.48732%0.321SS..Hα-helixtrans-59-45.6175.8179.8-103.6000111.6L163 Q164 N169 V171 V172L163-F167 VanDerWaalsContact O-CB 3.3Å; L163-F167 WeakPolarHBondContact O-CB 3.06Å; L163-F167 PolarHBondContact O-N 3.16Å; Q164-F167 PolarHBondContact O-N 2.76Å; F167-N169 PolarHBondContact O-N 2.93Å; F167-V171 HydrophobicContact CD2-CB 4.02Å; F167-V171 HydrophobicContact CD2-CG2 3.76Å; F167-V171 HydrophobicContact CE2-CB 3.86Å; F167-V171 HydrophobicContact CE2-CG1 3.89Å; F167-V171 HydrophobicContact CE2-CG2 3.85Å; F167-V171 HydrophobicContact CZ-CB 4.31Å; F167-V171 HydrophobicContact CZ-CG1 4.13Å; F167-V171 WeakPolarHBondContact O-CA 3.23Å; F167-V171 VanDerWaalsContact O-CB 3.31Å; F167-V171 WeakPolarHBondContact O-CB 3.07Å; F167-V171 PolarHBondContact O-N 3.06Å; F167-V172 HydrophobicContact CD1-CG2 3.89Å; F167-V172 HydrophobicContact CE1-CG2 3.59Å; F167-V172 HydrophobicContact CZ-CG2 4.31Å; F167-V172 PolarHBondContact O-N 3.21Å
168M76.6Confident67.6Low17 Ų1756.3 Ų56.38%0.08431%0.31CS..Iπ-helixtrans-61.6-44.2176.4-70.6179.380.300112.1Q164 S165 S166 V172 S173 F200 N203 L204Q164-M168 WeakPolarHBondContact O-CB 3.33Å; Q164-M168 WeakPolarHBondContact O-CG 3.42Å; Q164-M168 PolarHBondContact O-N 2.86Å; S165-M168 PolarHBondContact O-N 3.01Å; S166-M168 VanDerWaalsContact C-N 3.34Å; S166-M168 PolarHBondContact O-N 3.04Å; M168-V172 PolarHBondContact O-N 3.35Å; M168-S173 WeakPolarHBondContact O-CB 3.36Å; M168-S173 PolarHBondContact O-N 3.31Å; M168-F200 HydrophobicContact CB-CE2 3.79Å; M168-F200 HydrophobicContact CB-CZ 4.02Å; M168-F200 HydrophobicContact CE-CD2 3.46Å; M168-F200 VanDerWaalsContact CE-CD2 3.46Å; M168-F200 HydrophobicContact CE-CE2 3.41Å; M168-F200 VanDerWaalsContact CE-CE2 3.41Å; M168-F200 HydrophobicContact CE-CG 4.23Å; M168-F200 HydrophobicContact CE-CZ 4.16Å; M168-F200 WeakPolarHBondContact CE-O 3.27Å; M168-F200 HydrophobicContact CG-CE2 4.08Å; M168-F200 WeakPolarHBondContact O-CZ 3.13Å; M168-N203 HydrophobicContact CE-CB 3.67Å; M168-N203 HydrophobicContact SD-CB 4.4Å; M168-L204 HydrophobicContact CB-CD1 3.83Å; M168-L204 HydrophobicContact CE-CB 3.76Å; M168-L204 HydrophobicContact SD-CB 4.36Å; M168-L204 HydrophobicContact SD-CD1 4.35Å
169N75.4Confident67.6Low52 Ų5257.6 Ų57.628%0.27832%0.315SS..Iπ-helixtrans-69.7-40.4-180-74.5-43.8000113.2S165 S166 F167 P174 R208S165-N169 WeakPolarHBondContact O-CB 3.32Å; S165-N169 VanDerWaalsContact O-CG 3.24Å; S165-N169 PolarHBondContact O-N 3.03Å; S165-N169 PolarHBondContact O-ND2 3.5Å; S166-N169 PolarHBondContact O-N 3.39Å; F167-N169 PolarHBondContact O-N 2.93Å; N169-P174 WeakPolarHBondContact O-CD 3.3Å; N169-R208 PolarHBondContact OD1-NH2 3.01Å
170H71.7Confident67.6Low141 Ų14159.2 Ų59.265%0.65333%0.326SS*.Iπ-helixtrans-99.1-17.9-169.1-66.5-60.3000114.4S166S166-H170 WeakPolarHBondContact O-CB 3.14Å; S166-H170 PolarHBondContact O-CD2 2.9Å; S166-H170 VanDerWaalsContact O-CD2 3.27Å; S166-H170 PolarHBondContact O-N 3.15Å; S166-H170 PolarHBondContact OG-CD2 2.95Å
171V58.9Low67.7Low78 Ų7865.1 Ų65.147%0.47335%0.351SS..Iπ-helixtrans-117.1-57179.4-175.60000110.8F167 P174 L175F167-V171 HydrophobicContact CD2-CB 4.02Å; F167-V171 HydrophobicContact CD2-CG2 3.76Å; F167-V171 HydrophobicContact CE2-CB 3.86Å; F167-V171 HydrophobicContact CE2-CG1 3.89Å; F167-V171 HydrophobicContact CE2-CG2 3.85Å; F167-V171 HydrophobicContact CZ-CB 4.31Å; F167-V171 HydrophobicContact CZ-CG1 4.13Å; F167-V171 WeakPolarHBondContact O-CA 3.23Å; F167-V171 VanDerWaalsContact O-CB 3.31Å; F167-V171 WeakPolarHBondContact O-CB 3.07Å; F167-V171 PolarHBondContact O-N 3.06Å; V171-P174 WeakPolarHBondContact O-CD 3.31Å; V171-L175 PolarHBondContact O-N 2.91Å
172V61.6Low67.8Low37 Ų3767.5 Ų67.522%0.22437%0.371CS..Iπ-helixtrans-73.3-42.5-171.5-1740000111.7F167 M168 L175 L176 F200F167-V172 HydrophobicContact CD1-CG2 3.89Å; F167-V172 HydrophobicContact CE1-CG2 3.59Å; F167-V172 HydrophobicContact CZ-CG2 4.31Å; F167-V172 PolarHBondContact O-N 3.21Å; M168-V172 PolarHBondContact O-N 3.35Å; V172-L175 WeakPolarHBondContact O-CB 3.45Å; V172-L175 PolarHBondContact O-N 3.47Å; V172-L176 HydrophobicContact CG1-CD1 3.91Å; V172-L176 HydrophobicContact CG1-CG 4.11Å; V172-L176 WeakPolarHBondContact O-CG 3.42Å; V172-L176 PolarHBondContact O-N 3.46Å; V172-F200 HydrophobicContact CB-CD2 4.41Å; V172-F200 HydrophobicContact CB-CE2 3.62Å; V172-F200 HydrophobicContact CB-CZ 4.3Å; V172-F200 HydrophobicContact CG1-CD2 3.66Å; V172-F200 HydrophobicContact CG1-CE2 3.35Å; V172-F200 HydrophobicContact CG1-CZ 4.27Å
173S68.9Low67.9Low32 Ų3270.9 Ų70.922%0.22439%0.387CS..Hα-helixtrans-63.4-45.4-179-1790000113.1M168 L175 L176 N177M168-S173 WeakPolarHBondContact O-CB 3.36Å; M168-S173 PolarHBondContact O-N 3.31Å; S173-L175 VanDerWaalsContact C-N 3.29Å; S173-L175 PolarHBondContact O-N 3.43Å; S173-L176 PolarHBondContact O-N 2.88Å; S173-N177 WeakPolarHBondContact O-CB 3.41Å; S173-N177 VanDerWaalsContact O-CG 3.26Å; S173-N177 PolarHBondContact O-N 3.09Å; S173-N177 PolarHBondContact O-ND2 2.68Å
174P62.2Low67.8Low68 Ų6872.4 Ų72.444%0.44239%0.394SS..Hα-helixtrans-57.7-39.7171.5-27.735.8000113.5N169 V171 N177 A178N169-P174 WeakPolarHBondContact O-CD 3.3Å; V171-P174 WeakPolarHBondContact O-CD 3.31Å; P174-N177 PolarHBondContact O-N 2.95Å; P174-A178 PolarHBondContact O-N 3.41Å
175L57.3Low67.6Low102 Ų10269.7 Ų69.753%0.53438%0.382SS..Hα-helixtrans-65.6-48.3176.3178.463.3000111.5V171 V172 S173 N177 A178 L179V171-L175 PolarHBondContact O-N 2.91Å; V172-L175 WeakPolarHBondContact O-CB 3.45Å; V172-L175 PolarHBondContact O-N 3.47Å; S173-L175 VanDerWaalsContact C-N 3.29Å; S173-L175 PolarHBondContact O-N 3.43Å; L175-N177 VanDerWaalsContact C-N 3.29Å; L175-N177 PolarHBondContact O-N 2.77Å; L175-A178 WeakPolarHBondContact O-CB 3.2Å; L175-A178 PolarHBondContact O-N 2.93Å; L175-A178 VanDerWaalsContact O-N 3.12Å; L175-L179 HydrophobicContact CD1-CD1 4.46Å; L175-L179 HydrophobicContact CD1-CG 4.44Å; L175-L179 HydrophobicContact CG-CD1 4.18Å; L175-L179 WeakPolarHBondContact O-CG 3.47Å; L175-L179 PolarHBondContact O-N 3.07Å
176L64.5Low67.3Low12 Ų1273.6 Ų73.66%0.06341%0.407CS..Hα-helixtrans-59.3-41.1176.4-74.3175.3000111.4V172 S173 A178 L179 V180 L185 L196 L197 F200V172-L176 HydrophobicContact CG1-CD1 3.91Å; V172-L176 HydrophobicContact CG1-CG 4.11Å; V172-L176 WeakPolarHBondContact O-CG 3.42Å; V172-L176 PolarHBondContact O-N 3.46Å; S173-L176 PolarHBondContact O-N 2.88Å; L176-A178 VanDerWaalsContact C-N 3.33Å; L176-A178 PolarHBondContact O-N 3.46Å; L176-L179 PolarHBondContact O-N 2.86Å; L176-V180 VanDerWaalsContact O-CG2 3.29Å; L176-V180 WeakPolarHBondContact O-CG2 3.43Å; L176-V180 PolarHBondContact O-N 3.5Å; L176-L185 HydrophobicContact CD2-CD1 4.19Å; L176-L185 HydrophobicContact CD2-CD2 4.45Å; L176-L196 HydrophobicContact CD2-CD2 3.78Å; L176-L196 HydrophobicContact CD2-CG 4.29Å; L176-L197 HydrophobicContact CB-CD2 4.29Å; L176-L197 HydrophobicContact CD1-CD2 4.32Å; L176-L197 HydrophobicContact CD2-CD2 4.28Å; L176-F200 HydrophobicContact CD1-CB 3.74Å; L176-F200 HydrophobicContact CD1-CD1 3.53Å; L176-F200 HydrophobicContact CD1-CD2 3.47Å; L176-F200 VanDerWaalsContact CD1-CD2 3.47Å; L176-F200 HydrophobicContact CD1-CE1 3.97Å; L176-F200 HydrophobicContact CD1-CE2 3.93Å; L176-F200 HydrophobicContact CD1-CG 3.25Å; L176-F200 HydrophobicContact CD1-CZ 4.16Å
177N70.7Confident67.7Low87 Ų8775.9 Ų75.947%0.46542%0.415SS..Hα-helixtrans-61.1-41.3175.3-74.3-24.7000112.1S173 P174 L175 V180 Q181S173-N177 WeakPolarHBondContact O-CB 3.41Å; S173-N177 VanDerWaalsContact O-CG 3.26Å; S173-N177 PolarHBondContact O-N 3.09Å; S173-N177 PolarHBondContact O-ND2 2.68Å; P174-N177 PolarHBondContact O-N 2.95Å; L175-N177 VanDerWaalsContact C-N 3.29Å; L175-N177 PolarHBondContact O-N 2.77Å; N177-V180 PolarHBondContact O-N 2.77Å; N177-Q181 WeakPolarHBondContact O-CB 3.37Å; N177-Q181 VanDerWaalsContact O-CG 3.29Å; N177-Q181 WeakPolarHBondContact O-CG 3.27Å; N177-Q181 PolarHBondContact O-N 3.02Å
178A63.4Low68.2Low53 Ų5374.2 Ų74.244%0.43841%0.411SS..Hα-helixtrans-64.6-41175.400000111.7P174 L175 L176 Q181 A182P174-A178 PolarHBondContact O-N 3.41Å; L175-A178 WeakPolarHBondContact O-CB 3.2Å; L175-A178 PolarHBondContact O-N 2.93Å; L175-A178 VanDerWaalsContact O-N 3.12Å; L176-A178 VanDerWaalsContact C-N 3.33Å; L176-A178 PolarHBondContact O-N 3.46Å; A178-Q181 PolarHBondContact O-N 3Å; A178-A182 WeakPolarHBondContact O-CB 3.2Å; A178-A182 PolarHBondContact O-N 2.81Å
179L62.6Low68.5Low49 Ų4982.8 Ų82.826%0.25745%0.451SS..Hα-helixtrans-67.7-38.6177.3-65.8172.6000112.5L175 L176 A182 E183 L184 L185L175-L179 HydrophobicContact CD1-CD1 4.46Å; L175-L179 HydrophobicContact CD1-CG 4.44Å; L175-L179 HydrophobicContact CG-CD1 4.18Å; L175-L179 WeakPolarHBondContact O-CG 3.47Å; L175-L179 PolarHBondContact O-N 3.07Å; L176-L179 PolarHBondContact O-N 2.86Å; L179-A182 PolarHBondContact O-N 3.27Å; L179-E183 PolarHBondContact O-N 3.44Å; L179-E183 VanDerWaalsContact O-N 3.17Å; L179-L184 HydrophobicContact CD2-CB 4.06Å; L179-L184 HydrophobicContact CD2-CD1 3.93Å; L179-L184 PolarHBondContact O-N 3.44Å; L179-L185 HydrophobicContact CB-CD1 4.47Å; L179-L185 HydrophobicContact CB-CD2 3.57Å; L179-L185 HydrophobicContact CB-CG 3.81Å; L179-L185 HydrophobicContact CD1-CD2 3.77Å; L179-L185 HydrophobicContact CG-CD2 4.27Å
180V70.8Confident68.9Low66 Ų6689.2 Ų89.240%0.448%0.479SS..Hα-helixtrans-63.1-47.6173.5170.10000110.7L176 N177 A182 E183 L185 L197L176-V180 VanDerWaalsContact O-CG2 3.29Å; L176-V180 WeakPolarHBondContact O-CG2 3.43Å; L176-V180 PolarHBondContact O-N 3.5Å; N177-V180 PolarHBondContact O-N 2.77Å; V180-A182 PolarHBondContact O-N 3.12Å; V180-E183 PolarHBondContact O-N 3.21Å; V180-L185 HydrophobicContact CG2-CD1 3.51Å; V180-L185 HydrophobicContact CG2-CG 4.32Å; V180-L197 HydrophobicContact CG2-CD1 3.83Å; V180-L197 HydrophobicContact CG2-CD2 3.99Å; V180-L197 HydrophobicContact CG2-CG 4.45Å
181Q67.9Low69.8Low166 Ų16686.6 Ų86.678%0.77647%0.473SS*.Hα-helixtrans-62.9-30.5178.3-74.8177.226.800112.9N177 A178 E183N177-Q181 WeakPolarHBondContact O-CB 3.37Å; N177-Q181 VanDerWaalsContact O-CG 3.29Å; N177-Q181 WeakPolarHBondContact O-CG 3.27Å; N177-Q181 PolarHBondContact O-N 3.02Å; A178-Q181 PolarHBondContact O-N 3Å; Q181-E183 VanDerWaalsContact C-N 3.29Å
182A72.2Confident71.1Confident52 Ų5285.5 Ų85.543%0.4348%0.477SS..THydrogen-bonded Turntrans-86.21.4176.700000113.3A178 L179 V180 L184A178-A182 WeakPolarHBondContact O-CB 3.2Å; A178-A182 PolarHBondContact O-N 2.81Å; L179-A182 PolarHBondContact O-N 3.27Å; V180-A182 PolarHBondContact O-N 3.12Å; A182-L184 HydrophobicContact CB-CB 4.48Å; A182-L184 HydrophobicContact CB-CD1 3.64Å; A182-L184 HydrophobicContact CB-CG 3.64Å; A182-L184 WeakPolarHBondContact O-CG 3.31Å; A182-L184 PolarHBondContact O-N 3.38Å
183E76.4Confident72.1Confident173 Ų17390.3 Ų90.381%0.80849%0.492SS*.THydrogen-bonded Turntrans54.534.2-176.1-59177.4-175.800112.6L179 V180 Q181L179-E183 PolarHBondContact O-N 3.44Å; L179-E183 VanDerWaalsContact O-N 3.17Å; V180-E183 PolarHBondContact O-N 3.21Å; Q181-E183 VanDerWaalsContact C-N 3.29Å
184L64.7Low72.6Confident84 Ų8489.2 Ų89.244%0.4448%0.483SS..  trans-95.5-6.9-175.5-66.6177.4000113.8L179 A182L179-L184 HydrophobicContact CD2-CB 4.06Å; L179-L184 HydrophobicContact CD2-CD1 3.93Å; L179-L184 PolarHBondContact O-N 3.44Å; A182-L184 HydrophobicContact CB-CB 4.48Å; A182-L184 HydrophobicContact CB-CD1 3.64Å; A182-L184 HydrophobicContact CB-CG 3.64Å; A182-L184 WeakPolarHBondContact O-CG 3.31Å; A182-L184 PolarHBondContact O-N 3.38Å
185L62.6Low73.4Confident18 Ų1892.6 Ų92.69%0.09449%0.494CS..SBendtrans-84.6143.6178.8-64.9-168.6000111.4L176 L179 V180 I187 L196 L197L176-L185 HydrophobicContact CD2-CD1 4.19Å; L176-L185 HydrophobicContact CD2-CD2 4.45Å; L179-L185 HydrophobicContact CB-CD1 4.47Å; L179-L185 HydrophobicContact CB-CD2 3.57Å; L179-L185 HydrophobicContact CB-CG 3.81Å; L179-L185 HydrophobicContact CD1-CD2 3.77Å; L179-L185 HydrophobicContact CG-CD2 4.27Å; V180-L185 HydrophobicContact CG2-CD1 3.51Å; V180-L185 HydrophobicContact CG2-CG 4.32Å; L185-I187 PolarHBondContact O-N 2.72Å; L185-L196 HydrophobicContact CD2-CD2 3.71Å; L185-L197 HydrophobicContact CD1-CD1 4.1Å; L185-L197 HydrophobicContact CD1-CD2 3.56Å; L185-L197 HydrophobicContact CD1-CG 3.7Å
186P66.3Low73.9Confident96 Ų9691.7 Ų91.762%0.62349%0.489SS*.  trans-67.2116.6175.727.8-33.1000109.6C194P186-C194 PolarHBondContact O-SG 3.34Å
187I79.6Confident74.5Confident100 Ų10094 Ų9451%0.51350%0.501SS..  trans-111.1128.6176.3-62.1173.2000107.7L185 E189 G192 R193 C194L185-I187 PolarHBondContact O-N 2.72Å; I187-E189 PolarHBondContact O-N 3.37Å; I187-G192 VanDerWaalsContact CG2-C 3.44Å; I187-R193 CarbonylContact C-O 3.57Å; I187-R193 WeakPolarHBondContact CA-O 3.21Å; I187-C194 HydrophobicContact CG1-CB 4.35Å
188D77.6Confident74.8Confident76 Ų7692.3 Ų92.341%0.40649%0.49SS..  trans-64.1117.1169.7176.2-70.1000109.1Q190 T191 G192 R193D188-Q190 PolarHBondContact O-N 2.71Å; D188-Q190 WeakPolarHBondContact OD1-CA 3.39Å; D188-Q190 WeakPolarHBondContact OD1-CB 3.35Å; D188-Q190 PolarHBondContact OD1-N 3.47Å; D188-T191 VanDerWaalsContact CB-OG1 3.32Å; D188-T191 WeakPolarHBondContact CB-OG1 3.29Å; D188-T191 PolarHBondContact O-N 2.97Å; D188-T191 WeakPolarHBondContact OD1-CB 3.46Å; D188-T191 PolarHBondContact OD1-N 3.23Å; D188-T191 PolarHBondContact OD1-OG1 2.97Å; D188-G192 WeakPolarHBondContact O-CA 3.46Å; D188-G192 PolarHBondContact O-N 2.87Å; D188-R193 PolarHBondContact N-O 3.03Å
189E82.7Confident75.2Confident197 Ų19792.9 Ų92.992%0.92149%0.486SS*.THydrogen-bonded Turntrans-65.1-24.1-174-63.8-176.1167.400113.5I187I187-E189 PolarHBondContact O-N 3.37Å
190Q84.8Confident75.8Confident187 Ų18792 Ų9287%0.87448%0.48SS*.THydrogen-bonded Turntrans-84.7-35.5-176.7-60.8-175.35.200112D188D188-Q190 PolarHBondContact O-N 2.71Å; D188-Q190 WeakPolarHBondContact OD1-CA 3.39Å; D188-Q190 WeakPolarHBondContact OD1-CB 3.35Å; D188-Q190 PolarHBondContact OD1-N 3.47Å
191T90Very high76.1Confident86 Ų8691.5 Ų91.553%0.52848%0.483SS..THydrogen-bonded Turntrans-109.2-17.5-173.263.10000113.1D188 R193D188-T191 VanDerWaalsContact CB-OG1 3.32Å; D188-T191 WeakPolarHBondContact CB-OG1 3.29Å; D188-T191 PolarHBondContact O-N 2.97Å; D188-T191 WeakPolarHBondContact OD1-CB 3.46Å; D188-T191 PolarHBondContact OD1-N 3.23Å; D188-T191 PolarHBondContact OD1-OG1 2.97Å; T191-R193 PolarHBondContact O-N 2.9Å; T191-R193 WeakPolarHBondContact OG1-CB 3.43Å; T191-R193 WeakPolarHBondContact OG1-CG 3.26Å; T191-R193 PolarHBondContact OG1-N 3.29Å
192G86.2Confident76.4Confident55 Ų5589.7 Ų89.757%0.56747%0.474SS*.  trans70.213-172.800000113.7I187 D188I187-G192 VanDerWaalsContact CG2-C 3.44Å; D188-G192 WeakPolarHBondContact O-CA 3.46Å; D188-G192 PolarHBondContact O-N 2.87Å
193R83.5Confident76.2Confident138 Ų13891 Ų9152%0.52147%0.474SS..  trans-90.7146.6-174.2-63.2179.974.8-140.25.9111.5I187 D188 T191 E198I187-R193 CarbonylContact C-O 3.57Å; I187-R193 WeakPolarHBondContact CA-O 3.21Å; D188-R193 PolarHBondContact N-O 3.03Å; T191-R193 PolarHBondContact O-N 2.9Å; T191-R193 WeakPolarHBondContact OG1-CB 3.43Å; T191-R193 WeakPolarHBondContact OG1-CG 3.26Å; T191-R193 PolarHBondContact OG1-N 3.29Å; R193-E198 IonicContact CZ-OE1 2.87Å; R193-E198 IonicContact CZ-OE2 2.65Å; R193-E198 IonicContact NE-OE1 2.97Å; R193-E198 PolarHBondContact NE-OE1 3.34Å; R193-E198 IonicContact NE-OE2 2.63Å; R193-E198 IonicContact NH1-OE1 3.67Å; R193-E198 IonicContact NH1-OE2 2.86Å; R193-E198 IonicContact NH2-OE1 2.79Å; R193-E198 PolarHBondContact NH2-OE1 3.38Å; R193-E198 IonicContact NH2-OE2 3.82Å; R193-E198 PolarHBondContact NH2-OE2 2.93Å
194C78.9Confident76.3Confident8 Ų883.7 Ų83.75%0.05444%0.44CS..  trans-116.9107172.7179.60000108.9P186 I187 L196 L197 E198P186-C194 PolarHBondContact O-SG 3.34Å; I187-C194 HydrophobicContact CG1-CB 4.35Å; C194-L196 PolarHBondContact O-N 3.3Å; C194-L197 HydrophobicContact CB-CB 4.15Å; C194-L197 HydrophobicContact CB-CD1 3.89Å; C194-L197 HydrophobicContact CB-CG 3.95Å; C194-L197 PolarHBondContact O-N 2.88Å; C194-E198 WeakPolarHBondContact O-CG 2.99Å; C194-E198 PolarHBondContact O-N 3.15Å
195E78.1Confident77.1Confident140 Ų14085.6 Ų85.665%0.65445%0.447SS*.Hα-helixtrans-55.1-36.5-178.9-171.4-173.5167.500111.9L197 E198 N199E195-L197 PolarHBondContact O-N 3.44Å; E195-E198 PolarHBondContact O-N 2.93Å; E195-N199 WeakPolarHBondContact O-CB 3.19Å; E195-N199 VanDerWaalsContact O-CG 3.26Å; E195-N199 PolarHBondContact O-N 3.15Å; E195-N199 PolarHBondContact O-ND2 2.95Å
196L68.5Low77.9Confident82 Ų8288.8 Ų88.843%0.42946%0.461SS..Hα-helixtrans-62.1-42177.5-173.171.6000112.4L176 L185 C194 E198 F200L176-L196 HydrophobicContact CD2-CD2 3.78Å; L176-L196 HydrophobicContact CD2-CG 4.29Å; L185-L196 HydrophobicContact CD2-CD2 3.71Å; C194-L196 PolarHBondContact O-N 3.3Å; L196-E198 VanDerWaalsContact C-N 3.31Å; L196-F200 VanDerWaalsContact O-CB 3.28Å; L196-F200 WeakPolarHBondContact O-CB 3.17Å; L196-F200 PolarHBondContact O-N 3.44Å
197L76.9Confident78.4Confident61 Ų6186.3 Ų86.332%0.31944%0.439SS..Hα-helixtrans-68.3-34.6178.6-69.4179.9000111.7L176 V180 L185 C194 E195 F200 A201L176-L197 HydrophobicContact CB-CD2 4.29Å; L176-L197 HydrophobicContact CD1-CD2 4.32Å; L176-L197 HydrophobicContact CD2-CD2 4.28Å; V180-L197 HydrophobicContact CG2-CD1 3.83Å; V180-L197 HydrophobicContact CG2-CD2 3.99Å; V180-L197 HydrophobicContact CG2-CG 4.45Å; L185-L197 HydrophobicContact CD1-CD1 4.1Å; L185-L197 HydrophobicContact CD1-CD2 3.56Å; L185-L197 HydrophobicContact CD1-CG 3.7Å; C194-L197 HydrophobicContact CB-CB 4.15Å; C194-L197 HydrophobicContact CB-CD1 3.89Å; C194-L197 HydrophobicContact CB-CG 3.95Å; C194-L197 PolarHBondContact O-N 2.88Å; E195-L197 PolarHBondContact O-N 3.44Å; L197-F200 PolarHBondContact O-N 3.07Å; L197-A201 WeakPolarHBondContact O-CB 3.4Å; L197-A201 PolarHBondContact O-N 3.48Å
198E77.4Confident78.5Confident51 Ų5187.1 Ų87.124%0.23844%0.436CS..Hα-helixtrans-71.4-49.7179.8-66172.6163.500110.8R193 C194 E195 L196 F200 A201 E202R193-E198 IonicContact CZ-OE1 2.87Å; R193-E198 IonicContact CZ-OE2 2.65Å; R193-E198 IonicContact NE-OE1 2.97Å; R193-E198 PolarHBondContact NE-OE1 3.34Å; R193-E198 IonicContact NE-OE2 2.63Å; R193-E198 IonicContact NH1-OE1 3.67Å; R193-E198 IonicContact NH1-OE2 2.86Å; R193-E198 IonicContact NH2-OE1 2.79Å; R193-E198 PolarHBondContact NH2-OE1 3.38Å; R193-E198 IonicContact NH2-OE2 3.82Å; R193-E198 PolarHBondContact NH2-OE2 2.93Å; C194-E198 WeakPolarHBondContact O-CG 2.99Å; C194-E198 PolarHBondContact O-N 3.15Å; E195-E198 PolarHBondContact O-N 2.93Å; L196-E198 VanDerWaalsContact C-N 3.31Å; E198-F200 PolarHBondContact O-N 3.35Å; E198-A201 PolarHBondContact O-N 2.95Å; E198-E202 WeakPolarHBondContact O-CG 3.38Å; E198-E202 PolarHBondContact O-N 3.01Å
199N72.3Confident78.8Confident66 Ų6687.3 Ų87.335%0.35344%0.437SS..Hα-helixtrans-57.2-39.9172.9-72.2-20000111E195 N203E195-N199 WeakPolarHBondContact O-CB 3.19Å; E195-N199 VanDerWaalsContact O-CG 3.26Å; E195-N199 PolarHBondContact O-N 3.15Å; E195-N199 PolarHBondContact O-ND2 2.95Å; N199-N203 VanDerWaalsContact O-CB 3.27Å; N199-N203 WeakPolarHBondContact O-CB 3.3Å; N199-N203 PolarHBondContact O-N 3.07Å; N199-N203 PolarHBondContact O-ND2 2.68Å
200F74.7Confident78.7Confident31 Ų3178.9 Ų78.914%0.13640%0.399CS..Hα-helixtrans-63.4-45.4175.2178.1-98.9000112.2M168 V172 L176 L196 L197 E198 L204M168-F200 HydrophobicContact CB-CE2 3.79Å; M168-F200 HydrophobicContact CB-CZ 4.02Å; M168-F200 HydrophobicContact CE-CD2 3.46Å; M168-F200 VanDerWaalsContact CE-CD2 3.46Å; M168-F200 HydrophobicContact CE-CE2 3.41Å; M168-F200 VanDerWaalsContact CE-CE2 3.41Å; M168-F200 HydrophobicContact CE-CG 4.23Å; M168-F200 HydrophobicContact CE-CZ 4.16Å; M168-F200 WeakPolarHBondContact CE-O 3.27Å; M168-F200 HydrophobicContact CG-CE2 4.08Å; M168-F200 WeakPolarHBondContact O-CZ 3.13Å; V172-F200 HydrophobicContact CB-CD2 4.41Å; V172-F200 HydrophobicContact CB-CE2 3.62Å; V172-F200 HydrophobicContact CB-CZ 4.3Å; V172-F200 HydrophobicContact CG1-CD2 3.66Å; V172-F200 HydrophobicContact CG1-CE2 3.35Å; V172-F200 HydrophobicContact CG1-CZ 4.27Å; L176-F200 HydrophobicContact CD1-CB 3.74Å; L176-F200 HydrophobicContact CD1-CD1 3.53Å; L176-F200 HydrophobicContact CD1-CD2 3.47Å; L176-F200 VanDerWaalsContact CD1-CD2 3.47Å; L176-F200 HydrophobicContact CD1-CE1 3.97Å; L176-F200 HydrophobicContact CD1-CE2 3.93Å; L176-F200 HydrophobicContact CD1-CG 3.25Å; L176-F200 HydrophobicContact CD1-CZ 4.16Å; L196-F200 VanDerWaalsContact O-CB 3.28Å; L196-F200 WeakPolarHBondContact O-CB 3.17Å; L196-F200 PolarHBondContact O-N 3.44Å; L197-F200 PolarHBondContact O-N 3.07Å; E198-F200 PolarHBondContact O-N 3.35Å; F200-L204 HydrophobicContact CE1-CD2 4.03Å; F200-L204 HydrophobicContact CZ-CD2 4.27Å; F200-L204 VanDerWaalsContact O-CB 3.26Å; F200-L204 WeakPolarHBondContact O-CB 3.35Å; F200-L204 PolarHBondContact O-N 2.89Å
201A76.6Confident78.3Confident55 Ų5571 Ų7146%0.45537%0.366SS..Hα-helixtrans-63.5-45.1179.900000112.1L197 E198 L204 Q205L197-A201 WeakPolarHBondContact O-CB 3.4Å; L197-A201 PolarHBondContact O-N 3.48Å; E198-A201 PolarHBondContact O-N 2.95Å; A201-L204 PolarHBondContact O-N 3.12Å; A201-Q205 WeakPolarHBondContact O-CB 3.5Å; A201-Q205 PolarHBondContact O-N 3.2Å
202E75.5Confident77.9Confident127 Ų12774 Ų7459%0.59337%0.374SS*.Hα-helixtrans-63.4-46.9177.5-70.7-179.3-174.400111.6E198 L204 Q205 H206E198-E202 WeakPolarHBondContact O-CG 3.38Å; E198-E202 PolarHBondContact O-N 3.01Å; E202-L204 VanDerWaalsContact C-N 3.33Å; E202-L204 PolarHBondContact O-N 3.32Å; E202-Q205 PolarHBondContact O-N 3.38Å; E202-H206 WeakPolarHBondContact O-CB 3.48Å; E202-H206 PolarHBondContact O-N 2.91Å
203N66.8Low77.6Confident80 Ų8077.6 Ų77.643%0.42838%0.38SS..Hα-helixtrans-62-40.9176.4-80.8-58.3000111.7M168 N199 Q205 H206 W207M168-N203 HydrophobicContact CE-CB 3.67Å; M168-N203 HydrophobicContact SD-CB 4.4Å; N199-N203 VanDerWaalsContact O-CB 3.27Å; N199-N203 WeakPolarHBondContact O-CB 3.3Å; N199-N203 PolarHBondContact O-N 3.07Å; N199-N203 PolarHBondContact O-ND2 2.68Å; N203-Q205 VanDerWaalsContact C-N 3.34Å; N203-Q205 PolarHBondContact O-N 2.96Å; N203-H206 WeakPolarHBondContact O-CB 3.34Å; N203-H206 PolarHBondContact O-N 3.17Å; N203-W207 PolarHBondContact O-N 3.45Å
204L77.9Confident76.7Confident19 Ų1973.1 Ų73.110%0.09938%0.377CS..Hα-helixtrans-64.7-42.1179.3-179.658.1000111M168 F200 A201 E202 R208M168-L204 HydrophobicContact CB-CD1 3.83Å; M168-L204 HydrophobicContact CE-CB 3.76Å; M168-L204 HydrophobicContact SD-CB 4.36Å; M168-L204 HydrophobicContact SD-CD1 4.35Å; F200-L204 HydrophobicContact CE1-CD2 4.03Å; F200-L204 HydrophobicContact CZ-CD2 4.27Å; F200-L204 VanDerWaalsContact O-CB 3.26Å; F200-L204 WeakPolarHBondContact O-CB 3.35Å; F200-L204 PolarHBondContact O-N 2.89Å; A201-L204 PolarHBondContact O-N 3.12Å; E202-L204 VanDerWaalsContact C-N 3.33Å; E202-L204 PolarHBondContact O-N 3.32Å; L204-R208 HydrophobicContact CD1-CG 4.46Å; L204-R208 WeakPolarHBondContact O-CB 3.49Å; L204-R208 VanDerWaalsContact O-CG 3.24Å; L204-R208 WeakPolarHBondContact O-CG 3.34Å; L204-R208 PolarHBondContact O-N 2.71Å
205Q82.8Confident75.4Confident125 Ų12575 Ų7558%0.58439%0.39SS*.Hα-helixtrans-64.2-44.5175.4-176176.54.900111.5A201 E202 N203 W207 R208 L209A201-Q205 WeakPolarHBondContact O-CB 3.5Å; A201-Q205 PolarHBondContact O-N 3.2Å; E202-Q205 PolarHBondContact O-N 3.38Å; N203-Q205 VanDerWaalsContact C-N 3.34Å; N203-Q205 PolarHBondContact O-N 2.96Å; Q205-W207 PolarHBondContact O-N 3.3Å; Q205-R208 PolarHBondContact O-N 3.38Å; Q205-L209 HydrophobicContact CG-CD1 4.11Å; Q205-L209 WeakPolarHBondContact O-CG 3.42Å; Q205-L209 PolarHBondContact O-N 2.89Å
206H80Confident73.9Confident85 Ų8572.7 Ų72.739%0.39439%0.386SS..Hα-helixtrans-54.9-53.4175.8174.579.9000111E202 N203 R208 L209 T210E202-H206 WeakPolarHBondContact O-CB 3.48Å; E202-H206 PolarHBondContact O-N 2.91Å; N203-H206 WeakPolarHBondContact O-CB 3.34Å; N203-H206 PolarHBondContact O-N 3.17Å; H206-R208 VanDerWaalsContact C-N 3.34Å; H206-R208 PolarHBondContact O-N 3.19Å; H206-L209 PolarHBondContact O-N 2.87Å; H206-T210 WeakPolarHBondContact O-CB 3.43Å; H206-T210 PolarHBondContact O-N 3.22Å; H206-T210 PolarHBondContact O-OG1 3.24Å
207W75.3Confident72.8Confident43 Ų4372.3 Ų72.316%0.16338%0.384CS..Hα-helixtrans-66.4-33.1-178.4-69.6118.8000113.4A161 Q164 N203 Q205 T210 A211 L221A161-W207 HydrophobicContact CB-CE3 3.95Å; A161-W207 HydrophobicContact CB-CZ3 4.47Å; Q164-W207 HydrophobicContact CB-CB 4.11Å; Q164-W207 HydrophobicContact CB-CD2 3.6Å; Q164-W207 HydrophobicContact CB-CE3 4.09Å; Q164-W207 HydrophobicContact CB-CG 3.59Å; Q164-W207 HydrophobicContact CG-CD2 3.9Å; Q164-W207 HydrophobicContact CG-CE3 4.14Å; Q164-W207 HydrophobicContact CG-CG 4.39Å; Q164-W207 HydrophobicContact CG-CH2 4.34Å; Q164-W207 HydrophobicContact CG-CZ2 4.11Å; Q164-W207 HydrophobicContact CG-CZ3 4.35Å; N203-W207 PolarHBondContact O-N 3.45Å; Q205-W207 PolarHBondContact O-N 3.3Å; W207-T210 HydrophobicContact CE3-CG2 4.45Å; W207-A211 WeakPolarHBondContact O-CB 3.45Å; W207-A211 PolarHBondContact O-N 2.94Å; W207-L221 HydrophobicContact CH2-CD1 3.98Å; W207-L221 HydrophobicContact CH2-CD2 3.93Å; W207-L221 HydrophobicContact CZ3-CD1 3.97Å; W207-L221 HydrophobicContact CZ3-CD2 4.09Å
208R82.8Confident71Confident117 Ų11771.6 Ų71.644%0.44238%0.383SS..Hα-helixtrans-63.1-48.9172.8-76.2173.6-179.6-174.8-0.1111.9N169 L204 Q205 H206 T210 A211 E212N169-R208 PolarHBondContact OD1-NH2 3.01Å; L204-R208 HydrophobicContact CD1-CG 4.46Å; L204-R208 WeakPolarHBondContact O-CB 3.49Å; L204-R208 VanDerWaalsContact O-CG 3.24Å; L204-R208 WeakPolarHBondContact O-CG 3.34Å; L204-R208 PolarHBondContact O-N 2.71Å; Q205-R208 PolarHBondContact O-N 3.38Å; H206-R208 VanDerWaalsContact C-N 3.34Å; H206-R208 PolarHBondContact O-N 3.19Å; R208-T210 VanDerWaalsContact C-N 3.34Å; R208-T210 PolarHBondContact O-N 3.38Å; R208-A211 WeakPolarHBondContact O-CB 3.36Å; R208-A211 PolarHBondContact O-N 3.38Å; R208-E212 WeakPolarHBondContact O-CG 3.18Å; R208-E212 PolarHBondContact O-N 3.14Å
209L84.4Confident69.2Low80 Ų8074 Ų7442%0.41940%0.398SS..Hα-helixtrans-64.6-39.7178.4-69.3173000111.8Q205 H206 A211 E212 N213Q205-L209 HydrophobicContact CG-CD1 4.11Å; Q205-L209 WeakPolarHBondContact O-CG 3.42Å; Q205-L209 PolarHBondContact O-N 2.89Å; H206-L209 PolarHBondContact O-N 2.87Å; L209-A211 VanDerWaalsContact C-N 3.29Å; L209-A211 PolarHBondContact O-N 3.04Å; L209-E212 PolarHBondContact O-N 3.46Å; L209-N213 VanDerWaalsContact O-CB 3.31Å; L209-N213 WeakPolarHBondContact O-CB 3.39Å; L209-N213 VanDerWaalsContact O-CG 3.22Å; L209-N213 PolarHBondContact O-N 2.76Å; L209-N213 PolarHBondContact O-ND2 3.44Å
210T79Confident67.6Low20 Ų2072.5 Ų72.512%0.12339%0.392CS..Hα-helixtrans-62.6-37.8175-58.80000111.3A161 H206 W207 R208 G214 S215A161-T210 HydrophobicContact CB-CG2 3.58Å; H206-T210 WeakPolarHBondContact O-CB 3.43Å; H206-T210 PolarHBondContact O-N 3.22Å; H206-T210 PolarHBondContact O-OG1 3.24Å; W207-T210 HydrophobicContact CE3-CG2 4.45Å; R208-T210 VanDerWaalsContact C-N 3.34Å; R208-T210 PolarHBondContact O-N 3.38Å; T210-G214 PolarHBondContact O-N 3.25Å; T210-S215 PolarHBondContact O-N 3.25Å
211A76.1Confident65.6Low22 Ų2273.6 Ų73.618%0.18240%0.399CS..Hα-helixtrans-68.5-42.3175.900000112.3A161 E162 W207 R208 L209 G214A161-A211 HydrophobicContact CB-CB 3.83Å; E162-A211 HydrophobicContact CB-CB 4.41Å; W207-A211 WeakPolarHBondContact O-CB 3.45Å; W207-A211 PolarHBondContact O-N 2.94Å; R208-A211 WeakPolarHBondContact O-CB 3.36Å; R208-A211 PolarHBondContact O-N 3.38Å; L209-A211 VanDerWaalsContact C-N 3.29Å; L209-A211 PolarHBondContact O-N 3.04Å; A211-G214 PolarHBondContact O-N 2.99Å
212E82.4Confident63.4Low149 Ų14978.7 Ų78.770%0.69641%0.412SS*.Hα-helixtrans-66-38.7177-73174.5-17600112.7R208 L209 G214R208-E212 WeakPolarHBondContact O-CG 3.18Å; R208-E212 PolarHBondContact O-N 3.14Å; L209-E212 PolarHBondContact O-N 3.46Å; E212-G214 PolarHBondContact O-N 3.11Å
213N79.6Confident61.3Low130 Ų13077.6 Ų77.670%0.69541%0.41SS*.THydrogen-bonded Turntrans-76.9-2.4-179.1-70.1-26.6000113.8L209 S215L209-N213 VanDerWaalsContact O-CB 3.31Å; L209-N213 WeakPolarHBondContact O-CB 3.39Å; L209-N213 VanDerWaalsContact O-CG 3.22Å; L209-N213 PolarHBondContact O-N 2.76Å; L209-N213 PolarHBondContact O-ND2 3.44Å; N213-S215 VanDerWaalsContact C-N 3.31Å; N213-S215 PolarHBondContact O-N 2.95Å
214G64Low59.7Low44 Ų4480 Ų8045%0.45442%0.418SS..THydrogen-bonded Turntrans67.925.617600000114.5T210 A211 E212 T216T210-G214 PolarHBondContact O-N 3.25Å; A211-G214 PolarHBondContact O-N 2.99Å; E212-G214 PolarHBondContact O-N 3.11Å; G214-T216 PolarHBondContact O-N 2.74Å
215S53.5Low57.3Low48 Ų4881.7 Ų81.734%0.33644%0.441SS..  trans-72.991.4174.2162.80000109.9T210 N213T210-S215 PolarHBondContact O-N 3.25Å; N213-S215 VanDerWaalsContact C-N 3.31Å; N213-S215 PolarHBondContact O-N 2.95Å
216T46.4Very low54.9Low92 Ų9282.8 Ų82.856%0.56445%0.451SS*.  trans-974.9-177.259.50000114.6G214 P218G214-T216 PolarHBondContact O-N 2.74Å; T216-P218 WeakPolarHBondContact O-CD 3.26Å
217D45.2Very low52.5Low73 Ų7382.4 Ų82.439%0.3946%0.462SS..  trans-89.2104.2-178.3-172.210.3000111.6N219 S220D217-N219 PolarHBondContact O-N 3.37Å; D217-N219 VanDerWaalsContact O-N 3.16Å; D217-N219 VanDerWaalsContact OD1-CB 3.29Å; D217-N219 WeakPolarHBondContact OD1-CB 3.28Å; D217-N219 PolarHBondContact OD1-N 3.17Å; D217-N219 PolarHBondContact OD1-ND2 2.81Å; D217-S220 PolarHBondContact O-N 3.45Å; D217-S220 VanDerWaalsContact O-N 3.16Å; D217-S220 PolarHBondContact O-OG 3.3Å; D217-S220 PolarHBondContact OD2-N 3.45Å
218P39.1Very low50.6Low47 Ų4786.2 Ų86.231%0.30549%0.49SS..Hα-helixtrans-59.2-23.7172.122.2-31.8000112.7V160 T216 F222V160-P218 HydrophobicContact CG2-CB 4.42Å; T216-P218 WeakPolarHBondContact O-CD 3.26Å; P218-F222 WeakPolarHBondContact O-CD2 3.35Å
219N38.6Very low48.2Very low101 Ų10185.9 Ų85.954%0.5450%0.497SS..Hα-helixtrans-78.4-24.9178.4-55.2-66.9000113.1D217 L221 F222 N223D217-N219 PolarHBondContact O-N 3.37Å; D217-N219 VanDerWaalsContact O-N 3.16Å; D217-N219 VanDerWaalsContact OD1-CB 3.29Å; D217-N219 WeakPolarHBondContact OD1-CB 3.28Å; D217-N219 PolarHBondContact OD1-N 3.17Å; D217-N219 PolarHBondContact OD1-ND2 2.81Å; N219-L221 VanDerWaalsContact C-N 3.26Å; N219-L221 PolarHBondContact O-N 3.44Å; N219-F222 PolarHBondContact O-N 2.85Å; N219-N223 WeakPolarHBondContact O-CB 3.46Å; N219-N223 PolarHBondContact O-N 3.44Å; N219-N223 VanDerWaalsContact O-N 3.13Å; N219-N223 PolarHBondContact O-ND2 2.96Å
220S39.4Very low45.8Very low35 Ų3591.8 Ų91.825%0.24552%0.519CS..Hα-helixtrans-70.1-27.1175.569.70000111.8D217 Q224D217-S220 PolarHBondContact O-N 3.45Å; D217-S220 VanDerWaalsContact O-N 3.16Å; D217-S220 PolarHBondContact O-OG 3.3Å; D217-S220 PolarHBondContact OD2-N 3.45Å; S220-Q224 WeakPolarHBondContact O-CG 3.5Å; S220-Q224 PolarHBondContact O-N 2.83Å
221L32.3Very low43.7Very low53 Ų5396.9 Ų96.928%0.27755%0.545SS..Hα-helixtrans-70.5-38.1175.5-73.4165.2000112.5V160 W207 N219V160-L221 HydrophobicContact CG1-CD1 4.42Å; W207-L221 HydrophobicContact CH2-CD1 3.98Å; W207-L221 HydrophobicContact CH2-CD2 3.93Å; W207-L221 HydrophobicContact CZ3-CD1 3.97Å; W207-L221 HydrophobicContact CZ3-CD2 4.09Å; N219-L221 VanDerWaalsContact C-N 3.26Å; N219-L221 PolarHBondContact O-N 3.44Å
222F31.6Very low41.6Very low163 Ų16399.5 Ų99.572%0.71557%0.567SS**Hα-helixtrans-75.3-31.7176-67.8-70.2000112.6P218 N219P218-F222 WeakPolarHBondContact O-CD2 3.35Å; N219-F222 PolarHBondContact O-N 2.85Å
223N30.1Very low39.1Very low104 Ų10498.7 Ų98.756%0.55657%0.572SS**Hα-helixtrans-76.2-17.6178-73.6-27.4000114N219 G225 D226 A227N219-N223 WeakPolarHBondContact O-CB 3.46Å; N219-N223 PolarHBondContact O-N 3.44Å; N219-N223 VanDerWaalsContact O-N 3.13Å; N219-N223 PolarHBondContact O-ND2 2.96Å; N223-G225 VanDerWaalsContact C-N 3.26Å; N223-G225 PolarHBondContact O-N 3.21Å; N223-D226 PolarHBondContact O-N 3.22Å; N223-A227 PolarHBondContact O-N 3.06Å
224Q33.4Very low36.8Very low130 Ų13098.8 Ų98.861%0.60758%0.578SS**THydrogen-bonded Turntrans-72.1-18.3175-80.3-178.414.700113.3S220 D226S220-Q224 WeakPolarHBondContact O-CG 3.5Å; S220-Q224 PolarHBondContact O-N 2.83Å; Q224-D226 VanDerWaalsContact C-N 3.34Å
225G28.3Very low34.9Very low55 Ų55107.4 Ų107.457%0.56760%0.598SS**THydrogen-bonded Turntrans-71.6-26.9172.200000113.8N223N223-G225 VanDerWaalsContact C-N 3.26Å; N223-G225 PolarHBondContact O-N 3.21Å
226D32Very low33.9Very low148 Ų148109.2 Ų109.279%0.79162%0.617SS**THydrogen-bonded Turntrans-94.5-10.8-178.8-72.5-24.8000113.1N223 Q224N223-D226 PolarHBondContact O-N 3.22Å; Q224-D226 VanDerWaalsContact C-N 3.34Å
227A29.7Very low33.7Very low77 Ų77110.1 Ų110.164%0.63662%0.624SS**  trans-9722.3177.100000113.2N223 D229N223-A227 PolarHBondContact O-N 3.06Å; A227-D229 VanDerWaalsContact C-N 3.29Å; A227-D229 PolarHBondContact O-N 3.08Å
228V35.6Very low33Very low123 Ų123113.4 Ų113.475%0.74564%0.642SS**SBendtrans-68.299.8162.5-174.60000107.3K230V228-K230 PolarHBondContact O-N 2.9Å
229D30.9Very low32.7Very low110 Ų110117.4 Ų117.459%0.58867%0.665SS**  trans-36.3116.7-173.9-150.5-17.1000114.1A227 D231 A232A227-D229 VanDerWaalsContact C-N 3.29Å; A227-D229 PolarHBondContact O-N 3.08Å; D229-D231 PolarHBondContact O-N 3.4Å; D229-D231 PolarHBondContact OD1-N 3.24Å; D229-D231 VanDerWaalsContact OD1-N 3.14Å; D229-A232 HydrophobicContact CB-CB 4.42Å
230K35.2Very low32.1Very low204 Ų204121 Ų12189%0.88768%0.678SS**THydrogen-bonded Turntrans-71-2.3170.1-80.2-174.3177.5175.20112.9V228V228-K230 PolarHBondContact O-N 2.9Å
231D34.5Very low32Very low126 Ų126126.7 Ų126.767%0.67470%0.704SS**THydrogen-bonded Turntrans-12017.2-178-72.2-37.1000115D229 T233D229-D231 PolarHBondContact O-N 3.4Å; D229-D231 PolarHBondContact OD1-N 3.24Å; D229-D231 VanDerWaalsContact OD1-N 3.14Å; D231-T233 PolarHBondContact O-N 3.37Å
232A31.9Very low32.5Very low77 Ų77132.9 Ų132.964%0.63675%0.752SS**  trans-75.952.9170.200000112.9D229D229-A232 HydrophobicContact CB-CB 4.42Å
233T30.2Very low32.6Very low132 Ų132131.4 Ų131.481%0.8175%0.754SS**  trans-105.660.6156.851.60000109D231D231-T233 PolarHBondContact O-N 3.37Å
234T31.6Very low32.7Very low132 Ų132132.8 Ų132.881%0.8176%0.764SS**  trans-128.4101.5166.844.70000110
235Y24.6Very low32.7Very low225 Ų225133 Ų13388%0.88277%0.773SS**  trans-72.9122.2170-171-92.1000109.3
236A30.7Very low32.9Very low87 Ų87137.6 Ų137.672%0.71979%0.785SS**  trans175.3159153.700000112.2
237P43.2Very low33Very low111 Ų111136.9 Ų136.972%0.72178%0.784SS**  -131.2173.1-51.436.3-19.8000112.2V239P237-V239 PolarHBondContact O-N 3Å
238D30.6Very low33.2Very low142 Ų142140.9 Ų140.976%0.75979%0.794SS**  trans-43.3122.7179.5-61.7-57.2000114.9H240D238-H240 PolarHBondContact O-N 3.46Å
239V32.1Very low33Very low130 Ų130142.2 Ų142.279%0.78880%0.798SS**  trans-90.2100.7165.5-178.20000108P237 I241P237-V239 PolarHBondContact O-N 3Å; V239-I241 HydrophobicContact CG1-CG1 4.31Å; V239-I241 PolarHBondContact O-N 2.83Å
240H25.4Very low33.2Very low178 Ų178144.7 Ų144.782%0.82481%0.814SS**  trans-66.5121.3163.1-87.1-76.8000109.7D238D238-H240 PolarHBondContact O-N 3.46Å
241I37.6Very low33Very low153 Ų153139.8 Ų139.879%0.78581%0.808SS**  trans-103.2118.7161.9-56.8178.3000106.6V239V239-I241 HydrophobicContact CG1-CG1 4.31Å; V239-I241 PolarHBondContact O-N 2.83Å
242S44.1Very low32.9Very low184 Ų184141 Ų141100%1.28782%0.82SS**  trans-65.20171.357.30000112.2

Retrieved 242 of 242 residues in 368.8 ms (Link to these results)

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