A0A060D6E7_MAIZE Loading...

C3H transcription factor

Necessary for the splicing of pre-mRNA.

AlphaFold DB (K7V1E2), UniProt , Accession A0A060D6E7, Species MAIZE (Zea mays, Maize), Gene C3H36, Length 304 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
1M53.5Low58.8Low215 Ų21595.5 Ų95.5100%1.05953%0.527SS*.  0-43.20-79.5-178.1-179.900112.6E3 L5M1-E3 PolarHBondContact O-N 2.96Å; M1-L5 PolarHBondContact O-N 3.14Å
2A60.3Low59.2Low78 Ų78100.4 Ų100.465%0.64554%0.543SS*.Hα-helixtrans-61.9-39.8179.700000114.4H4 L5 A6A2-H4 PolarHBondContact O-N 2.83Å; A2-L5 PolarHBondContact O-N 3.46Å; A2-A6 PolarHBondContact O-N 3.1Å
3E61.9Low59.5Low173 Ų173105.3 Ų105.381%0.80856%0.556SS**Hα-helixtrans-64.2-38.4-178.2-64.7178.3161.600113.3M1 A6 S7M1-E3 PolarHBondContact O-N 2.96Å; E3-A6 PolarHBondContact O-N 3.09Å; E3-S7 PolarHBondContact O-N 2.7Å; E3-S7 VanDerWaalsContact O-N 3.09Å
4H56.5Low60.2Low132 Ų13298.7 Ų98.761%0.61152%0.522SS*.Hα-helixtrans-68.5-37.4177.5-169.6-120.3000111.3A2 S7 I8A2-H4 PolarHBondContact O-N 2.83Å; H4-S7 PolarHBondContact O-N 2.77Å; H4-S7 PolarHBondContact O-OG 2.9Å; H4-I8 WeakPolarHBondContact O-CD1 3.11Å; H4-I8 VanDerWaalsContact O-CG1 3.24Å; H4-I8 WeakPolarHBondContact O-CG1 3.3Å; H4-I8 PolarHBondContact O-N 3.18Å
5L56.3Low61Low117 Ų117107.8 Ų107.861%0.61355%0.546SS*.Hα-helixtrans-68.9-39.9176.6-65174000112M1 A2 S7 I8 F9M1-L5 PolarHBondContact O-N 3.14Å; A2-L5 PolarHBondContact O-N 3.46Å; L5-S7 VanDerWaalsContact C-N 3.28Å; L5-S7 PolarHBondContact O-N 2.63Å; L5-I8 PolarHBondContact O-N 3.42Å; L5-I8 VanDerWaalsContact O-N 3.14Å; L5-F9 PolarHBondContact O-N 3.32Å
6A59.3Low62.4Low75 Ų75106.9 Ų106.962%0.6255%0.547SS*.Hα-helixtrans-62.6-35174.500000112.3A2 E3 I8A2-A6 PolarHBondContact O-N 3.1Å; E3-A6 PolarHBondContact O-N 3.09Å; A6-I8 VanDerWaalsContact C-N 3.29Å; A6-I8 PolarHBondContact O-N 3.36Å
7S58.8Low63.7Low69 Ų69101.6 Ų101.648%0.48352%0.52SS..Hα-helixtrans-73.3-18.517674.70000114.4E3 H4 L5E3-S7 PolarHBondContact O-N 2.7Å; E3-S7 VanDerWaalsContact O-N 3.09Å; H4-S7 PolarHBondContact O-N 2.77Å; H4-S7 PolarHBondContact O-OG 2.9Å; L5-S7 VanDerWaalsContact C-N 3.28Å; L5-S7 PolarHBondContact O-N 2.63Å
8I60.2Low65Low35 Ų3596.2 Ų96.218%0.17949%0.493CS..Hα-helixtrans-92.4-35.1179.8-68.7165.8000110.5H4 L5 A6 G10 T11 K13 D14H4-I8 WeakPolarHBondContact O-CD1 3.11Å; H4-I8 VanDerWaalsContact O-CG1 3.24Å; H4-I8 WeakPolarHBondContact O-CG1 3.3Å; H4-I8 PolarHBondContact O-N 3.18Å; L5-I8 PolarHBondContact O-N 3.42Å; L5-I8 VanDerWaalsContact O-N 3.14Å; A6-I8 VanDerWaalsContact C-N 3.29Å; A6-I8 PolarHBondContact O-N 3.36Å; I8-G10 PolarHBondContact O-N 3.38Å; I8-T11 PolarHBondContact O-N 3.03Å; I8-T11 PolarHBondContact O-OG1 2.87Å; I8-K13 HydrophobicContact CG1-CB 4.45Å; I8-K13 HydrophobicContact CG2-CB 4.16Å; I8-D14 HydrophobicContact CG2-CB 4.09Å
9F59Low66.1Low110 Ų11091.3 Ų91.348%0.48247%0.468SS..THydrogen-bonded Turntrans-56.5123.9-176.5-159.8-99.3000111.6L5 T11 N17 F22L5-F9 PolarHBondContact O-N 3.32Å; F9-T11 VanDerWaalsContact C-N 3.28Å; F9-T11 PolarHBondContact O-N 2.92Å; F9-N17 WeakPolarHBondContact CE2-ND2 3.13Å; F9-F22 HydrophobicContact CD1-CE2 4.16Å; F9-F22 HydrophobicContact CD1-CZ 4.1Å; F9-F22 HydrophobicContact CE1-CD2 4.38Å; F9-F22 AromaticContact CE1-CE2 3.65Å; F9-F22 HydrophobicContact CE1-CE2 3.65Å; F9-F22 HydrophobicContact CE1-CZ 4.02Å
10G58.3Low67.1Low3 Ų389.3 Ų89.33%0.03146%0.456CS..THydrogen-bonded Turntrans77.92.4-179.800000115.9I8 K23I8-G10 PolarHBondContact O-N 3.38Å; G10-K23 WeakPolarHBondContact O-CE 3.47Å
11T63.1Low68.1Low44 Ų4485.9 Ų85.927%0.2744%0.438SS..SBendtrans-103.6164.9175.873.40000111.4I8 F9 K13 D14I8-T11 PolarHBondContact O-N 3.03Å; I8-T11 PolarHBondContact O-OG1 2.87Å; F9-T11 VanDerWaalsContact C-N 3.28Å; F9-T11 PolarHBondContact O-N 2.92Å; T11-K13 PolarHBondContact O-N 3.15Å; T11-D14 VanDerWaalsContact O-CB 3.31Å; T11-D14 WeakPolarHBondContact O-CB 3.4Å; T11-D14 PolarHBondContact O-N 3.27Å
12E62.9Low69.6Low154 Ų15478.8 Ų78.872%0.7240%0.401SS*.THydrogen-bonded Turntrans-60.2-13.8178.1-63.1-178.2168.200114.2D14 P19E12-D14 VanDerWaalsContact C-N 3.3Å; E12-P19 HydrophobicContact CG-CG 4.43Å
13K63Low70.8Confident164 Ų16478.1 Ų78.171%0.71338%0.383SS*.THydrogen-bonded Turntrans-77.5-17175-62.2-179.2-179.7177.40112.6I8 T11 R15I8-K13 HydrophobicContact CG1-CB 4.45Å; I8-K13 HydrophobicContact CG2-CB 4.16Å; T11-K13 PolarHBondContact O-N 3.15Å; K13-R15 PolarHBondContact O-N 3.07Å
14D69.8Low72Confident13 Ų1370 Ų707%0.0735%0.345CS..  trans-69.8115.1174.2-162.9-22.3000109.5I8 T11 E12 V16 N17I8-D14 HydrophobicContact CG2-CB 4.09Å; T11-D14 VanDerWaalsContact O-CB 3.31Å; T11-D14 WeakPolarHBondContact O-CB 3.4Å; T11-D14 PolarHBondContact O-N 3.27Å; E12-D14 VanDerWaalsContact C-N 3.3Å; D14-V16 VanDerWaalsContact C-N 3.33Å; D14-V16 PolarHBondContact OD1-N 3.45Å; D14-N17 PolarHBondContact OD1-N 3.47Å; D14-N17 VanDerWaalsContact OD1-N 3.14Å; D14-N17 VanDerWaalsContact OD2-CB 3.32Å; D14-N17 WeakPolarHBondContact OD2-CB 3.11Å; D14-N17 PolarHBondContact OD2-ND2 3.42Å
15R72.7Confident73.5Confident235 Ų23564.2 Ų64.289%0.88732%0.322SS*.SBendtrans-82.8-14.3179.1-66.1-173.6179.2-174-0.2112.5K13K13-R15 PolarHBondContact O-N 3.07Å
16V83Confident75Confident94 Ų9459 Ų5957%0.5730%0.296SS*.SBendtrans-100-51.9-174.5-177.60000110.2D14 L36D14-V16 VanDerWaalsContact C-N 3.33Å; D14-V16 PolarHBondContact OD1-N 3.45Å; V16-L36 HydrophobicContact CG1-CB 4.48Å; V16-L36 WeakPolarHBondContact O-CB 3.22Å; V16-L36 PolarHBondContact O-N 3.36Å
17N84.3Confident76.4Confident16 Ų1656 Ų569%0.08627%0.27CS..BIsolated β-bridgetrans-89.9148.6-174.4-57.2-52.8000112.4F9 D14 P19 N38F9-N17 WeakPolarHBondContact CE2-ND2 3.13Å; D14-N17 PolarHBondContact OD1-N 3.47Å; D14-N17 VanDerWaalsContact OD1-N 3.14Å; D14-N17 VanDerWaalsContact OD2-CB 3.32Å; D14-N17 WeakPolarHBondContact OD2-CB 3.11Å; D14-N17 PolarHBondContact OD2-ND2 3.42Å; N17-P19 VanDerWaalsContact O-CD 3.26Å; N17-P19 WeakPolarHBondContact O-CD 2.92Å; N17-N38 PolarHBondContact OD1-ND2 3.14Å
18C87.7Confident77.8Confident4 Ų459 Ų593%0.02727%0.271CS..  trans-76.1114.9173.2-172.10000109.7F20 Y21 F22 R35 L36 H37C18-F20 PolarHBondContact O-N 3.25Å; C18-Y21 PolarHBondContact O-N 3.29Å; C18-F22 PolarHBondContact O-N 2.91Å; C18-R35 HydrophobicContact CB-CB 3.77Å; C18-L36 PolarHBondContact N-O 2.99Å; C18-H37 WeakPolarHBondContact CB-CD2 3.27Å; C18-H37 VanDerWaalsContact CB-NE2 3.35Å; C18-H37 WeakPolarHBondContact CB-NE2 3.36Å; C18-H37 PolarHBondContact SG-NE2 3.01Å; C18-H37 VanDerWaalsContact SG-NE2 3.43Å
19P85.4Confident79.1Confident4 Ų461.1 Ų61.13%0.02628%0.28CS..Hα-helixtrans-64.7-32.1179.727.4-34.7000111.5E12 N17 K23 R35E12-P19 HydrophobicContact CG-CG 4.43Å; N17-P19 VanDerWaalsContact O-CD 3.26Å; N17-P19 WeakPolarHBondContact O-CD 2.92Å; P19-K23 WeakPolarHBondContact O-CB 3.48Å; P19-K23 WeakPolarHBondContact O-CG 3.5Å; P19-K23 PolarHBondContact O-N 3.01Å; P19-R35 VanDerWaalsContact CG-NH1 3.3Å
20F85.9Confident80.4Confident51 Ų5157.4 Ų57.422%0.22427%0.272CS..Hα-helixtrans-67.3-46.2177.6-67.8-74.5000111.6C18 F22 K23 I24 N169C18-F20 PolarHBondContact O-N 3.25Å; F20-F22 VanDerWaalsContact C-N 3.33Å; F20-F22 PolarHBondContact O-N 2.93Å; F20-K23 PolarHBondContact O-N 3.22Å; F20-I24 HydrophobicContact CB-CD1 4.34Å; F20-I24 HydrophobicContact CD1-CD1 3.78Å; F20-I24 VanDerWaalsContact O-CB 3.29Å; F20-I24 WeakPolarHBondContact O-CB 3.37Å; F20-I24 PolarHBondContact O-N 3.09Å; F20-N169 HydrophobicContact CD1-CB 3.99Å; F20-N169 HydrophobicContact CE1-CB 3.96Å
21Y88.1Confident81.6Confident17 Ų1763.5 Ų63.57%0.06730%0.304CS..Hα-helixtrans-64.2-40.7177.7-173.3-97.6000111.4C18 G25 H37 N38 R39 P145C18-Y21 PolarHBondContact O-N 3.29Å; Y21-G25 VanDerWaalsContact CE2-O 3.3Å; Y21-G25 WeakPolarHBondContact CE2-O 3.43Å; Y21-G25 WeakPolarHBondContact O-CA 3.37Å; Y21-G25 PolarHBondContact O-N 2.83Å; Y21-H37 VanDerWaalsContact CB-CD2 3.41Å; Y21-H37 WeakPolarHBondContact CB-CD2 3.35Å; Y21-H37 HydrophobicContact CD1-CB 3.8Å; Y21-H37 HydrophobicContact CD2-CB 4.19Å; Y21-H37 AromaticContact CD2-CG 3.99Å; Y21-H37 HydrophobicContact CE1-CB 4.06Å; Y21-H37 HydrophobicContact CE2-CB 4.45Å; Y21-H37 HydrophobicContact CG-CB 3.88Å; Y21-H37 AromaticContact CG-CD2 3.71Å; Y21-H37 AromaticContact CG-CG 3.76Å; Y21-N38 WeakPolarHBondContact CE1-O 3.19Å; Y21-R39 HydrophobicContact CE1-CG 4.42Å; Y21-R39 WeakPolarHBondContact OH-CG 3.41Å; Y21-P145 HydrophobicContact CD1-CG 4.18Å; Y21-P145 HydrophobicContact CE1-CG 3.89Å; Y21-P145 VanDerWaalsContact O-CG 3.27Å; Y21-P145 WeakPolarHBondContact O-CG 3.29Å
22F86.1Confident82.9Confident66 Ų6672.3 Ų72.329%0.28933%0.333SS..Hα-helixtrans-64.1-44.7178-172-98.6000112.6F9 C18 F20F9-F22 HydrophobicContact CD1-CE2 4.16Å; F9-F22 HydrophobicContact CD1-CZ 4.1Å; F9-F22 HydrophobicContact CE1-CD2 4.38Å; F9-F22 AromaticContact CE1-CE2 3.65Å; F9-F22 HydrophobicContact CE1-CE2 3.65Å; F9-F22 HydrophobicContact CE1-CZ 4.02Å; C18-F22 PolarHBondContact O-N 2.91Å; F20-F22 VanDerWaalsContact C-N 3.33Å; F20-F22 PolarHBondContact O-N 2.93Å
23K85.7Confident84Confident64 Ų6466 Ų6628%0.27831%0.306SS..Hα-helixtrans-79-37.9-176.6-69.8179.8178.8-112.60113.9G10 P19 F20 E151 A152G10-K23 WeakPolarHBondContact O-CE 3.47Å; P19-K23 WeakPolarHBondContact O-CB 3.48Å; P19-K23 WeakPolarHBondContact O-CG 3.5Å; P19-K23 PolarHBondContact O-N 3.01Å; F20-K23 PolarHBondContact O-N 3.22Å; K23-E151 IonicContact NZ-OE2 3.99Å; K23-E151 PolarHBondContact NZ-OE2 3.08Å; K23-A152 VanDerWaalsContact O-CB 3.28Å; K23-A152 WeakPolarHBondContact O-CB 3.26Å
24I86.7Confident85.3Confident2 Ų264 Ų641%0.0131%0.312CS..Hα-helixtrans-113.2-15.4-168.1-60.6143.2000111.6F20 A26 M108 Y113 V146 A152 N169 F170 M171F20-I24 HydrophobicContact CB-CD1 4.34Å; F20-I24 HydrophobicContact CD1-CD1 3.78Å; F20-I24 VanDerWaalsContact O-CB 3.29Å; F20-I24 WeakPolarHBondContact O-CB 3.37Å; F20-I24 PolarHBondContact O-N 3.09Å; I24-A26 HydrophobicContact CG2-CB 4.37Å; I24-A26 PolarHBondContact O-N 2.81Å; I24-M108 HydrophobicContact CG2-CE 4.38Å; I24-M108 HydrophobicContact CG2-SD 3.29Å; I24-M108 WeakPolarHBondContact CG2-SD 3.27Å; I24-Y113 VanDerWaalsContact O-CE1 3.28Å; I24-Y113 WeakPolarHBondContact O-CE1 3.24Å; I24-Y113 PolarHBondContact O-OH 3.42Å; I24-V146 WeakPolarHBondContact O-CG2 3.3Å; I24-A152 HydrophobicContact CG1-CB 4.16Å; I24-N169 WeakPolarHBondContact CD1-O 3.22Å; I24-F170 HydrophobicContact CD1-CD1 4.44Å; I24-M171 HydrophobicContact CG2-CG 3.86Å; I24-M171 HydrophobicContact CG2-SD 4.4Å
25G86.6Confident86Confident11 Ų1167.7 Ų67.711%0.11333%0.325CS..SBendtrans72.83.8-174.300000113.7Y21Y21-G25 VanDerWaalsContact CE2-O 3.3Å; Y21-G25 WeakPolarHBondContact CE2-O 3.43Å; Y21-G25 WeakPolarHBondContact O-CA 3.37Å; Y21-G25 PolarHBondContact O-N 2.83Å
26A87.7Confident86.7Confident9 Ų961 Ų617%0.07431%0.306CS..  trans-138.9145.6-179.700000111.1I24 H107 M108I24-A26 HydrophobicContact CG2-CB 4.37Å; I24-A26 PolarHBondContact O-N 2.81Å; A26-H107 WeakPolarHBondContact CB-O 3.39Å; A26-M108 HydrophobicContact CB-CG 3.85Å; A26-M108 HydrophobicContact CB-SD 4.07Å
27C89.6Confident87Confident10 Ų1058 Ų587%0.06829%0.286CS..  trans-134.4134.9176.9-175.80000110.1H29 G30 H37C27-H29 PolarHBondContact O-N 3.05Å; C27-H29 VanDerWaalsContact O-N 3.09Å; C27-G30 PolarHBondContact O-N 2.8Å; C27-H37 WeakPolarHBondContact CB-CE1 3.46Å; C27-H37 WeakPolarHBondContact CB-NE2 3.41Å
28R87.8Confident87Confident134 Ų13460.6 Ų60.651%0.50630%0.3SS..THydrogen-bonded Turntrans-55.6-26.7176.166.5175.6-178.3-120.34.6114.8
29H87.7Confident87Confident78 Ų7865.9 Ų65.936%0.36132%0.319SS..THydrogen-bonded Turntrans-89.2-10.5180-52.8130.7000112.7C27 D31 R32 C33C27-H29 PolarHBondContact O-N 3.05Å; C27-H29 VanDerWaalsContact O-N 3.09Å; H29-D31 PolarHBondContact O-N 3.39Å; H29-R32 WeakPolarHBondContact O-CB 3.38Å; H29-R32 PolarHBondContact O-N 3.26Å; H29-C33 HydrophobicContact CB-CB 3.91Å
30G86.2Confident87Confident32 Ų3267.4 Ų67.433%0.3333%0.329SS..G310 helixtrans51.5-132.7-173.500000111.2C27 R32 C33 H37C27-G30 PolarHBondContact O-N 2.8Å; G30-R32 PolarHBondContact O-N 2.89Å; G30-C33 WeakPolarHBondContact O-CB 3.35Å; G30-C33 PolarHBondContact O-N 3.4Å; G30-H37 PolarHBondContact O-CE1 2.93Å; G30-H37 PolarHBondContact O-ND1 3.15Å
31D84.9Confident87Confident132 Ų13270.9 Ų70.971%0.70636%0.355SS*.G310 helixtrans-73.2-8179.4-55.5-48.6000114H29 C33 R39H29-D31 PolarHBondContact O-N 3.39Å; D31-C33 VanDerWaalsContact C-N 3.27Å; D31-C33 PolarHBondContact O-N 3.4Å; D31-R39 IonicContact OD1-CZ 3.17Å; D31-R39 IonicContact OD1-NH2 2.92Å; D31-R39 PolarHBondContact OD1-NH2 3.4Å; D31-R39 IonicContact OD2-NH2 3.87Å
32R88.4Confident87Confident229 Ų22974.6 Ų74.686%0.86437%0.374SS*.G310 helixtrans-88.29.8174.5-62.1-175.7-68.2-127.4-1.5113.2H29 G30H29-R32 WeakPolarHBondContact O-CB 3.38Å; H29-R32 PolarHBondContact O-N 3.26Å; G30-R32 PolarHBondContact O-N 2.89Å
33C87.7Confident87.2Confident22 Ų2271.8 Ų71.815%0.14936%0.363CS..  trans-65.4138.3177.8-163.90000110.6H29 G30 D31 R35 H37H29-C33 HydrophobicContact CB-CB 3.91Å; G30-C33 WeakPolarHBondContact O-CB 3.35Å; G30-C33 PolarHBondContact O-N 3.4Å; D31-C33 VanDerWaalsContact C-N 3.27Å; D31-C33 PolarHBondContact O-N 3.4Å; C33-R35 PolarHBondContact O-N 2.94Å; C33-H37 WeakPolarHBondContact CB-CE1 3.46Å; C33-H37 WeakPolarHBondContact CB-NE2 3.42Å; C33-H37 PolarHBondContact SG-NE2 3.45Å; C33-H37 VanDerWaalsContact SG-NE2 3.39Å
34S88.5Confident87.6Confident121 Ų12170.4 Ų70.485%0.84636%0.361SS*.SBendtrans-71.3-10.6172.855.10000113.3
35R86.3Confident87.9Confident91 Ų9170.4 Ų70.434%0.34336%0.361SS..SBendtrans-110.4154.2179.6-62.1-179.1-179.3169.1-3.5110C18 P19 C33C18-R35 HydrophobicContact CB-CB 3.77Å; P19-R35 VanDerWaalsContact CG-NH1 3.3Å; C33-R35 PolarHBondContact O-N 2.94Å
36L87.4Confident88.2Confident95 Ų9569.9 Ų69.950%0.49736%0.355SS..BIsolated β-bridgetrans-72.6136-177-166.267.1000111.7V16 C18 N38V16-L36 HydrophobicContact CG1-CB 4.48Å; V16-L36 WeakPolarHBondContact O-CB 3.22Å; V16-L36 PolarHBondContact O-N 3.36Å; C18-L36 PolarHBondContact N-O 2.99Å; L36-N38 WeakPolarHBondContact CD2-OD1 3.24Å; L36-N38 VanDerWaalsContact CG-OD1 3.32Å; L36-N38 WeakPolarHBondContact CG-OD1 3.18Å
37H89.3Confident88.4Confident30 Ų3069.9 Ų69.914%0.13935%0.354CS..  trans-107.398173-66.7167.6000109.3C18 Y21 C27 G30 C33 R39C18-H37 WeakPolarHBondContact CB-CD2 3.27Å; C18-H37 VanDerWaalsContact CB-NE2 3.35Å; C18-H37 WeakPolarHBondContact CB-NE2 3.36Å; C18-H37 PolarHBondContact SG-NE2 3.01Å; C18-H37 VanDerWaalsContact SG-NE2 3.43Å; Y21-H37 VanDerWaalsContact CB-CD2 3.41Å; Y21-H37 WeakPolarHBondContact CB-CD2 3.35Å; Y21-H37 HydrophobicContact CD1-CB 3.8Å; Y21-H37 HydrophobicContact CD2-CB 4.19Å; Y21-H37 AromaticContact CD2-CG 3.99Å; Y21-H37 HydrophobicContact CE1-CB 4.06Å; Y21-H37 HydrophobicContact CE2-CB 4.45Å; Y21-H37 HydrophobicContact CG-CB 3.88Å; Y21-H37 AromaticContact CG-CD2 3.71Å; Y21-H37 AromaticContact CG-CG 3.76Å; C27-H37 WeakPolarHBondContact CB-CE1 3.46Å; C27-H37 WeakPolarHBondContact CB-NE2 3.41Å; G30-H37 PolarHBondContact O-CE1 2.93Å; G30-H37 PolarHBondContact O-ND1 3.15Å; C33-H37 WeakPolarHBondContact CB-CE1 3.46Å; C33-H37 WeakPolarHBondContact CB-NE2 3.42Å; C33-H37 PolarHBondContact SG-NE2 3.45Å; C33-H37 VanDerWaalsContact SG-NE2 3.39Å; H37-R39 PolarHBondContact O-N 3.25Å; H37-R39 VanDerWaalsContact O-N 3.13Å
38N84.1Confident88.6Confident71 Ų7169.5 Ų69.538%0.3835%0.352SS..  trans-80.794.7179.5-64.1-28.4000109.7N17 Y21 L36 P40N17-N38 PolarHBondContact OD1-ND2 3.14Å; Y21-N38 WeakPolarHBondContact CE1-O 3.19Å; L36-N38 WeakPolarHBondContact CD2-OD1 3.24Å; L36-N38 VanDerWaalsContact CG-OD1 3.32Å; L36-N38 WeakPolarHBondContact CG-OD1 3.18Å; N38-P40 WeakPolarHBondContact O-CD 3.49Å
39R86.3Confident88.6Confident115 Ų11564.7 Ų64.743%0.43434%0.341SS..  trans-75.6115.1175.3-46.8-157.5-176.9-172.33.4108.6Y21 D31 H37 E142Y21-R39 HydrophobicContact CE1-CG 4.42Å; Y21-R39 WeakPolarHBondContact OH-CG 3.41Å; D31-R39 IonicContact OD1-CZ 3.17Å; D31-R39 IonicContact OD1-NH2 2.92Å; D31-R39 PolarHBondContact OD1-NH2 3.4Å; D31-R39 IonicContact OD2-NH2 3.87Å; H37-R39 PolarHBondContact O-N 3.25Å; H37-R39 VanDerWaalsContact O-N 3.13Å; R39-E142 IonicContact NH1-OE1 2.77Å; R39-E142 PolarHBondContact NH1-OE1 3.44Å; R39-E142 VanDerWaalsContact NH1-OE1 3.09Å; R39-E142 IonicContact NH1-OE2 2.82Å; R39-E142 PolarHBondContact NH1-OE2 3.13Å
40P86.3Confident88.5Confident35 Ų3563.6 Ų63.623%0.22734%0.338CS..  trans-65.5140.6178.926.2-31.3000110.1N38 I42 Y143 P145N38-P40 WeakPolarHBondContact O-CD 3.49Å; P40-I42 VanDerWaalsContact C-N 3.32Å; P40-Y143 WeakPolarHBondContact O-CB 3.5Å; P40-P145 HydrophobicContact CG-CB 4.32Å
41T85.3Confident88.3Confident125 Ų12562.9 Ų62.977%0.76733%0.326SS*.SBendtrans-76.8-25.317549.90000112.2Y143T41-Y143 WeakPolarHBondContact O-CE2 3.04Å
42I88.1Confident88.2Confident94 Ų9457 Ų5748%0.48229%0.294SS..SBendtrans-143134.2175.6-59176.3000106.4P40 E119P40-I42 VanDerWaalsContact C-N 3.32Å; I42-E119 HydrophobicContact CG2-CB 3.91Å; I42-E119 HydrophobicContact CG2-CG 4.49Å
43S91Very high87.7Confident8 Ų850.6 Ų50.66%0.05627%0.274CS..  trans-155.2153.8171.656.10000109.4T45 A122 Y143 S144S43-T45 PolarHBondContact O-N 3.37Å; S43-T45 PolarHBondContact OG-O 3.09Å; S43-A122 VanDerWaalsContact O-CB 3.24Å; S43-A122 WeakPolarHBondContact O-CB 3.31Å; S43-Y143 WeakPolarHBondContact OG-CB 3.43Å; S43-Y143 WeakPolarHBondContact OG-CD1 3.22Å; S43-S144 WeakPolarHBondContact CB-O 3.46Å; S43-S144 PolarHBondContact OG-N 2.85Å; S43-S144 PolarHBondContact OG-O 2.84Å
44P92.7Very high86.7Confident34 Ų3452.5 Ų52.522%0.22128%0.278CS..SBendtrans-70.5-15.3174.329-33.8000112.3F116 E119P44-F116 PolarHBondContact O-N 3.29Å; P44-E119 HydrophobicContact CB-CG 4.18Å; P44-E119 HydrophobicContact CG-CG 4.46Å
45T93.5Very high85.3Confident2 Ų249.5 Ų49.51%0.01226%0.255CS..EExtended strand (participates in β ladder)trans-106.8125.6-176.3-50.10000111.4S43 V114 Q115 S144 V146 F149S43-T45 PolarHBondContact O-N 3.37Å; S43-T45 PolarHBondContact OG-O 3.09Å; T45-V114 CarbonylContact C-O 3.56Å; T45-V114 VanDerWaalsContact CA-O 3.24Å; T45-V114 WeakPolarHBondContact CA-O 3.43Å; T45-V114 WeakPolarHBondContact CG2-O 3.43Å; T45-Q115 HydrophobicContact CG2-CB 4.47Å; T45-S144 PolarHBondContact O-N 2.72Å; T45-V146 WeakPolarHBondContact CB-O 3.5Å; T45-V146 HydrophobicContact CG2-CB 4.4Å; T45-V146 PolarHBondContact OG1-O 3.47Å; T45-F149 HydrophobicContact CG2-CZ 3.85Å
46L93.5Very high83.9Confident0 Ų046.1 Ų46.10%024%0.244CC..EExtended strand (participates in β ladder)trans-106.1149172.4-59.3-176.8000110.8Y113 V114 F116 A122 A125 Y126 V141 Y143L46-Y113 WeakPolarHBondContact O-CA 3.32Å; L46-V114 PolarHBondContact N-O 3.49Å; L46-V114 PolarHBondContact O-N 3.27Å; L46-F116 HydrophobicContact CD1-CE2 3.95Å; L46-F116 HydrophobicContact CG-CE2 4.37Å; L46-A122 WeakPolarHBondContact CD1-O 3.41Å; L46-A122 HydrophobicContact CD2-CB 4.37Å; L46-A122 HydrophobicContact CG-CB 4.26Å; L46-A125 HydrophobicContact CD1-CB 3.94Å; L46-Y126 HydrophobicContact CD2-CD2 4.24Å; L46-V141 HydrophobicContact CB-CG1 4.39Å; L46-V141 HydrophobicContact CD1-CG1 4.13Å; L46-V141 HydrophobicContact CD2-CG1 4.49Å; L46-Y143 HydrophobicContact CD2-CD1 3.32Å; L46-Y143 HydrophobicContact CD2-CE1 3.51Å; L46-Y143 HydrophobicContact CD2-CG 4.15Å
47V92.9Very high82.3Confident9 Ų945.5 Ų45.56%0.05524%0.24CC..EExtended strand (participates in β ladder)trans-116.9127.9167.163.70000109.7N111 V112 Y113 V141 E142V47-N111 HydrophobicContact CG2-CB 4.19Å; V47-V112 CarbonylContact C-O 3.58Å; V47-V112 WeakPolarHBondContact CA-O 3.08Å; V47-Y113 HydrophobicContact CB-CD1 4.07Å; V47-Y113 HydrophobicContact CB-CE1 4.01Å; V47-Y113 HydrophobicContact CG2-CD1 4.05Å; V47-Y113 HydrophobicContact CG2-CE1 3.74Å; V47-Y113 HydrophobicContact CG2-CE2 4.21Å; V47-Y113 HydrophobicContact CG2-CG 4.46Å; V47-V141 WeakPolarHBondContact O-CA 3.49Å; V47-E142 HydrophobicContact CG1-CB 3.88Å; V47-E142 WeakPolarHBondContact CG1-O 3.37Å; V47-E142 PolarHBondContact N-O 3.09Å; V47-E142 PolarHBondContact O-N 3.48Å
48L92.4Very high80.4Confident2 Ų250.9 Ų50.91%0.0127%0.268CS..EExtended strand (participates in β ladder)trans-100.9103.3171.7-47.7173.7000106.9M51 N111 V112 V114 L129 I139 I140 V141L48-M51 HydrophobicContact CB-CB 4.1Å; L48-M51 HydrophobicContact CB-SD 3.89Å; L48-M51 HydrophobicContact CD1-CE 4.5Å; L48-M51 HydrophobicContact CD1-SD 3.43Å; L48-M51 WeakPolarHBondContact CD1-SD 3.32Å; L48-M51 HydrophobicContact CG-SD 4.23Å; L48-N111 WeakPolarHBondContact O-CA 3.26Å; L48-V112 HydrophobicContact CB-CB 4.12Å; L48-V112 HydrophobicContact CD1-CB 4.29Å; L48-V112 HydrophobicContact CD1-CG1 4.4Å; L48-V112 HydrophobicContact CG-CB 4.47Å; L48-V112 PolarHBondContact N-O 3.37Å; L48-V112 PolarHBondContact O-N 2.9Å; L48-V114 HydrophobicContact CD1-CG2 4.29Å; L48-L129 HydrophobicContact CD2-CD1 3.94Å; L48-I139 HydrophobicContact CD2-CG2 4.2Å; L48-I140 CarbonylContact C-O 3.49Å; L48-I140 WeakPolarHBondContact CA-O 3.39Å; L48-V141 HydrophobicContact CD2-CB 3.93Å; L48-V141 HydrophobicContact CD2-CG1 3.69Å; L48-V141 HydrophobicContact CD2-CG2 3.31Å
49A89.2Confident78.6Confident33 Ų3350.8 Ų50.827%0.27327%0.27SS..EExtended strand (participates in β ladder)trans-75.2130.3-172.300000111.2M51 N111 I140A49-M51 PolarHBondContact O-N 3.31Å; A49-N111 WeakPolarHBondContact CA-OD1 3.32Å; A49-I140 HydrophobicContact CB-CB 4.29Å; A49-I140 HydrophobicContact CB-CG2 4.25Å; A49-I140 PolarHBondContact N-O 3.42Å
50N84.3Confident76.9Confident56 Ų5650.9 Ų50.930%0.29929%0.286SS..THydrogen-bonded Turntrans51.839.5175.2-167.46.5000114I109 N111 R137N50-I109 WeakPolarHBondContact CA-O 3.43Å; N50-N111 PolarHBondContact N-OD1 3.37Å; N50-R137 PolarHBondContact ND2-NH2 2.81Å
51M83.2Confident75.1Confident16 Ų1650.6 Ų50.68%0.07929%0.288CS..  trans-82.9-42.9-179-166.3179.3-164.600111.6L48 A49 Q53 F81 I85 G110 V112 Y134 I139L48-M51 HydrophobicContact CB-CB 4.1Å; L48-M51 HydrophobicContact CB-SD 3.89Å; L48-M51 HydrophobicContact CD1-CE 4.5Å; L48-M51 HydrophobicContact CD1-SD 3.43Å; L48-M51 WeakPolarHBondContact CD1-SD 3.32Å; L48-M51 HydrophobicContact CG-SD 4.23Å; A49-M51 PolarHBondContact O-N 3.31Å; M51-Q53 PolarHBondContact O-N 3.05Å; M51-F81 HydrophobicContact CB-CZ 4.35Å; M51-F81 HydrophobicContact CG-CE2 4.12Å; M51-F81 HydrophobicContact CG-CZ 3.94Å; M51-F81 HydrophobicContact SD-CZ 4.24Å; M51-I85 HydrophobicContact CE-CD1 3.18Å; M51-I85 HydrophobicContact CE-CG1 4.48Å; M51-I85 HydrophobicContact SD-CD1 3.6Å; M51-I85 VanDerWaalsContact SD-CD1 3.6Å; M51-I85 HydrophobicContact SD-CG1 4.45Å; M51-G110 PolarHBondContact N-O 2.98Å; M51-V112 HydrophobicContact CB-CG2 4.1Å; M51-Y134 HydrophobicContact CE-CD1 4.31Å; M51-Y134 HydrophobicContact CE-CD2 3.92Å; M51-Y134 HydrophobicContact CE-CG 3.79Å; M51-I139 HydrophobicContact CE-CD1 3.78Å; M51-I139 HydrophobicContact CE-CG1 4.16Å; M51-I139 HydrophobicContact CE-CG2 4.27Å
52Y82.3Confident73.6Confident9 Ų946.4 Ų46.44%0.03526%0.263CS..  trans-83.1111178.5-179.5-118.9000110.6R54 F78 F81 V100 G110 K174Y52-R54 HydrophobicContact CD1-CG 4.09Å; Y52-R54 HydrophobicContact CE1-CG 3.55Å; Y52-F78 HydrophobicContact CD2-CD2 4.34Å; Y52-F78 AromaticContact CE1-CD2 3.94Å; Y52-F78 HydrophobicContact CE1-CD2 3.94Å; Y52-F78 HydrophobicContact CE1-CE2 4.43Å; Y52-F78 HydrophobicContact CE2-CB 4.41Å; Y52-F78 AromaticContact CE2-CD2 3.76Å; Y52-F78 HydrophobicContact CE2-CD2 3.76Å; Y52-F78 AromaticContact CZ-CD2 3.53Å; Y52-F81 HydrophobicContact CD2-CB 4.41Å; Y52-F81 AromaticContact CD2-CD1 3.57Å; Y52-F81 HydrophobicContact CD2-CD1 3.57Å; Y52-F81 HydrophobicContact CD2-CD2 4.26Å; Y52-F81 AromaticContact CD2-CE1 3.82Å; Y52-F81 HydrophobicContact CD2-CE1 3.82Å; Y52-F81 HydrophobicContact CD2-CE2 4.48Å; Y52-F81 AromaticContact CD2-CG 3.81Å; Y52-F81 HydrophobicContact CD2-CG 3.81Å; Y52-F81 HydrophobicContact CD2-CZ 4.27Å; Y52-F81 HydrophobicContact CE2-CB 4.48Å; Y52-F81 HydrophobicContact CE2-CD1 4.27Å; Y52-F81 HydrophobicContact CE2-CG 4.35Å; Y52-F81 HydrophobicContact CG-CD1 4.29Å; Y52-F81 HydrophobicContact CG-CE1 4.13Å; Y52-V100 HydrophobicContact CD1-CG1 3.94Å; Y52-V100 HydrophobicContact CG-CG1 3.93Å; Y52-G110 PolarHBondContact N-O 3.39Å; Y52-G110 WeakPolarHBondContact O-CA 3.31Å; Y52-K174 PolarHBondContact OH-NZ 3.02Å
53Q76.5Confident71.9Confident94 Ų9443.9 Ų43.944%0.43925%0.25SS..  trans-94.3115.5170.7-74177.266.300109.5M51 M57M51-Q53 PolarHBondContact O-N 3.05Å; Q53-M57 HydrophobicContact CG-CE 4.32Å
54R67.2Low70.1Confident63 Ų6347.4 Ų47.424%0.23828%0.28CS..  trans-67.7131.8165.4-59.3-177.186.6160.816.6107.9Y52 D56 M57 D102Y52-R54 HydrophobicContact CD1-CG 4.09Å; Y52-R54 HydrophobicContact CE1-CG 3.55Å; R54-D56 HydrophobicContact CB-CB 4.41Å; R54-D56 PolarHBondContact O-N 3.47Å; R54-M57 HydrophobicContact CB-CG 4.41Å; R54-M57 WeakPolarHBondContact O-CG 3.33Å; R54-M57 PolarHBondContact O-N 3.12Å; R54-D102 WeakPolarHBondContact CD-OD1 3.36Å; R54-D102 IonicContact CZ-OD1 3.25Å; R54-D102 IonicContact CZ-OD2 2.79Å; R54-D102 IonicContact NE-OD1 3.76Å; R54-D102 PolarHBondContact NE-OD1 3.46Å; R54-D102 IonicContact NE-OD2 2.66Å; R54-D102 IonicContact NH1-OD1 2.66Å; R54-D102 PolarHBondContact NH1-OD1 3.13Å; R54-D102 IonicContact NH1-OD2 3.75Å; R54-D102 PolarHBondContact NH1-OD2 3.19Å; R54-D102 VanDerWaalsContact NH2-CG 3.29Å; R54-D102 IonicContact NH2-OD1 3.96Å; R54-D102 PolarHBondContact NH2-OD1 3.08Å; R54-D102 IonicContact NH2-OD2 2.65Å; R54-D102 PolarHBondContact NH2-OD2 2.75Å
55P60Low68.3Low57 Ų5753.1 Ų53.137%0.3730%0.304SS..THydrogen-bonded Turntrans-60.3-22.7169.125.6-32.8000111.7M57 I69P55-M57 VanDerWaalsContact C-N 3.29Å; P55-M57 PolarHBondContact O-N 3.06Å; P55-I69 HydrophobicContact CB-CD1 3.72Å; P55-I69 HydrophobicContact CG-CD1 3.9Å
56D56.3Low66.6Low21 Ų2155.7 Ų55.711%0.11233%0.33CS..THydrogen-bonded Turntrans-7913.1176.4-75.621.9000115.6R54 I58 T59 G61 I69 M74R54-D56 HydrophobicContact CB-CB 4.41Å; R54-D56 PolarHBondContact O-N 3.47Å; D56-I58 PolarHBondContact O-N 2.89Å; D56-T59 PolarHBondContact O-N 3.36Å; D56-G61 PolarHBondContact OD2-N 3.32Å; D56-I69 WeakPolarHBondContact OD1-CD1 3.13Å; D56-M74 VanDerWaalsContact OD1-SD 3.36Å
57M54Low64.8Low82 Ų8261.5 Ų61.540%0.40436%0.357SS..SBendtrans-54.8-23.9-172.4-84.6-97-172.200114.8Q53 R54 P55 I109Q53-M57 HydrophobicContact CG-CE 4.32Å; R54-M57 HydrophobicContact CB-CG 4.41Å; R54-M57 WeakPolarHBondContact O-CG 3.33Å; R54-M57 PolarHBondContact O-N 3.12Å; P55-M57 VanDerWaalsContact C-N 3.29Å; P55-M57 PolarHBondContact O-N 3.06Å; M57-I109 HydrophobicContact CE-CD1 3.85Å; M57-I109 HydrophobicContact CE-CG1 3.87Å; M57-I109 HydrophobicContact SD-CD1 3.61Å; M57-I109 HydrophobicContact SD-CG1 4.32Å
58I49.6Very low63.1Low143 Ų14366.3 Ų66.373%0.73339%0.388SS*.SBendtrans-101.4-40.8-174.9-55.4174.4000111.5D56D56-I58 PolarHBondContact O-N 2.89Å
59T45.9Very low61.6Low68 Ų6867.1 Ų67.142%0.41739%0.393SS..BIsolated β-bridgetrans-145.6126.6179.9-45.10000109.7D56 G61 V62D56-T59 PolarHBondContact O-N 3.36Å; T59-G61 PolarHBondContact O-N 3.29Å; T59-V62 HydrophobicContact CG2-CB 4.28Å; T59-V62 HydrophobicContact CG2-CG2 3.38Å; T59-V62 PolarHBondContact O-N 2.83Å
60P51.5Low60.5Low118 Ų11869.3 Ų69.377%0.76640%0.4SS*.THydrogen-bonded Turntrans-56.5123176-20.930.7000110.6
61G48.8Very low59.9Low28 Ų2871.3 Ų71.329%0.28942%0.416SS..THydrogen-bonded Turntrans74.322.2-178.500000114.3D56 T59 P68D56-G61 PolarHBondContact OD2-N 3.32Å; T59-G61 PolarHBondContact O-N 3.29Å; G61-P68 VanDerWaalsContact O-CA 3.27Å; G61-P68 WeakPolarHBondContact O-CA 3.17Å
62V52.1Low59.4Low38 Ų3877.8 Ų77.823%0.2345%0.446CS..BIsolated β-bridgetrans-136.1123.9172.8-143.30000112.3T59 G66 Q67T59-V62 HydrophobicContact CG2-CB 4.28Å; T59-V62 HydrophobicContact CG2-CG2 3.38Å; T59-V62 PolarHBondContact O-N 2.83Å; V62-G66 WeakPolarHBondContact CG1-O 3.24Å; V62-Q67 CarbonylContact C-O 3.57Å; V62-Q67 WeakPolarHBondContact CA-O 3.47Å; V62-Q67 WeakPolarHBondContact CG1-O 3.39Å
63D53.9Low59.1Low41 Ų4182.3 Ų82.322%0.21947%0.466CS..  trans-55.9162.7173.2-48.350000110.5Q65 G66 Q67 I69D63-Q65 HydrophobicContact CB-CB 4.49Å; D63-Q65 PolarHBondContact O-N 2.77Å; D63-G66 PolarHBondContact O-N 2.82Å; D63-Q67 HydrophobicContact CB-CB 4.48Å; D63-Q67 PolarHBondContact N-O 3.33Å; D63-Q67 VanDerWaalsContact OD1-CB 3.31Å; D63-Q67 WeakPolarHBondContact OD1-CB 3.34Å; D63-I69 HydrophobicContact CB-CD1 4.09Å; D63-I69 HydrophobicContact CB-CG1 4.09Å; D63-I69 WeakPolarHBondContact OD1-CG1 3.41Å
64A53.2Low58.9Low81 Ų8179.3 Ų79.367%0.66945%0.452SS*.THydrogen-bonded Turntrans-53.9-17.3166.500000113.4
65Q55.1Low59.4Low155 Ų15578.9 Ų78.972%0.72445%0.453SS*.THydrogen-bonded Turntrans-97.15.6174.7-59.9111.1-68.200115.1D63D63-Q65 HydrophobicContact CB-CB 4.49Å; D63-Q65 PolarHBondContact O-N 2.77Å
66G55.8Low60.5Low55 Ų5581.8 Ų81.857%0.56746%0.462SS*.SBendtrans80.912.6176.700000115.4V62 D63V62-G66 WeakPolarHBondContact CG1-O 3.24Å; D63-G66 PolarHBondContact O-N 2.82Å
67Q56.7Low61.8Low123 Ų12386.2 Ų86.258%0.57548%0.481SS*.PPolyproline II helixtrans-89.8152.3175.6-72.7-172.8-10.900111.2V62 D63 I69V62-Q67 CarbonylContact C-O 3.57Å; V62-Q67 WeakPolarHBondContact CA-O 3.47Å; V62-Q67 WeakPolarHBondContact CG1-O 3.39Å; D63-Q67 HydrophobicContact CB-CB 4.48Å; D63-Q67 PolarHBondContact N-O 3.33Å; D63-Q67 VanDerWaalsContact OD1-CB 3.31Å; D63-Q67 WeakPolarHBondContact OD1-CB 3.34Å; Q67-I69 PolarHBondContact O-N 3.25Å
68P57.8Low63.3Low109 Ų10982.3 Ų82.371%0.70846%0.462SS*.PPolyproline II helixtrans-74.4116.9172.127.8-31000110.3G61 D70G61-P68 VanDerWaalsContact O-CA 3.27Å; G61-P68 WeakPolarHBondContact O-CA 3.17Å; P68-D70 PolarHBondContact O-N 2.93Å
69I59.5Low65Low20 Ų2077.5 Ų77.510%0.10344%0.437CS..PPolyproline II helixtrans-75.4120.7176.5-52.9176.6000108.8P55 D56 D63 Q67 K73 M74P55-I69 HydrophobicContact CB-CD1 3.72Å; P55-I69 HydrophobicContact CG-CD1 3.9Å; D56-I69 WeakPolarHBondContact OD1-CD1 3.13Å; D63-I69 HydrophobicContact CB-CD1 4.09Å; D63-I69 HydrophobicContact CB-CG1 4.09Å; D63-I69 WeakPolarHBondContact OD1-CG1 3.41Å; Q67-I69 PolarHBondContact O-N 3.25Å; I69-K73 HydrophobicContact CG2-CB 4.38Å; I69-M74 HydrophobicContact CB-CE 4.34Å; I69-M74 HydrophobicContact CB-CG 3.97Å; I69-M74 HydrophobicContact CB-SD 4.43Å; I69-M74 HydrophobicContact CG2-CB 4.49Å; I69-M74 HydrophobicContact CG2-CG 3.33Å; I69-M74 HydrophobicContact CG2-SD 4.4Å
70D66.7Low66.9Low79 Ų7979.2 Ų79.242%0.42244%0.443SS..PPolyproline II helixtrans-56.6128.3170.2-68.6-55.7000109.2P68 E72 K73 M74P68-D70 PolarHBondContact O-N 2.93Å; D70-E72 PolarHBondContact O-N 3.03Å; D70-K73 HydrophobicContact CB-CB 4.46Å; D70-K73 HydrophobicContact CB-CD 4.2Å; D70-K73 HydrophobicContact CB-CG 4.19Å; D70-K73 PolarHBondContact O-N 3.06Å; D70-K73 IonicContact OD2-NZ 2.78Å; D70-K73 PolarHBondContact OD2-NZ 2.92Å; D70-M74 PolarHBondContact O-N 3.35Å
71P70.8Confident68.6Low98 Ų9874.2 Ų74.264%0.63641%0.409SS*.Hα-helixtrans-59.4-26.2-178.124.1-34.2000112.6Q75P71-Q75 PolarHBondContact O-N 2.74Å; P71-Q75 VanDerWaalsContact O-N 3.09Å
72E72.7Confident70.5Confident151 Ų15173.2 Ų73.271%0.70640%0.397SS*.Hα-helixtrans-65.9-44.5174.2-64.4-175.7112.900111.8D70 M74 Q75 E76D70-E72 PolarHBondContact O-N 3.03Å; E72-M74 PolarHBondContact O-N 3.06Å; E72-Q75 WeakPolarHBondContact O-CB 3.32Å; E72-Q75 PolarHBondContact O-N 3.43Å; E72-Q75 VanDerWaalsContact O-N 3.15Å; E72-E76 WeakPolarHBondContact O-CG 3.24Å; E72-E76 PolarHBondContact O-N 3Å
73K76.1Confident72.3Confident105 Ų10574.7 Ų74.746%0.45740%0.401SS..Hα-helixtrans-66-38.9177-68.7176.1-175.8143.70111.7I69 D70 Q75 E76 H77I69-K73 HydrophobicContact CG2-CB 4.38Å; D70-K73 HydrophobicContact CB-CB 4.46Å; D70-K73 HydrophobicContact CB-CD 4.2Å; D70-K73 HydrophobicContact CB-CG 4.19Å; D70-K73 PolarHBondContact O-N 3.06Å; D70-K73 IonicContact OD2-NZ 2.78Å; D70-K73 PolarHBondContact OD2-NZ 2.92Å; K73-Q75 PolarHBondContact O-N 3.3Å; K73-E76 PolarHBondContact O-N 2.97Å; K73-H77 PolarHBondContact O-CD2 3.23Å; K73-H77 PolarHBondContact O-N 3.36Å
74M72.9Confident74Confident30 Ų3076.3 Ų76.315%0.14841%0.41CS..Hα-helixtrans-61.2-35.7173.8-73.8-159.9-95.200112.8D56 I69 D70 E72 F78D56-M74 VanDerWaalsContact OD1-SD 3.36Å; I69-M74 HydrophobicContact CB-CE 4.34Å; I69-M74 HydrophobicContact CB-CG 3.97Å; I69-M74 HydrophobicContact CB-SD 4.43Å; I69-M74 HydrophobicContact CG2-CB 4.49Å; I69-M74 HydrophobicContact CG2-CG 3.33Å; I69-M74 HydrophobicContact CG2-SD 4.4Å; D70-M74 PolarHBondContact O-N 3.35Å; E72-M74 PolarHBondContact O-N 3.06Å; M74-F78 WeakPolarHBondContact O-CB 3.29Å; M74-F78 PolarHBondContact O-N 2.77Å
75Q79Confident75.7Confident55 Ų5572.9 Ų72.926%0.25738%0.38SS..Hα-helixtrans-71.9-45.3176.4-172.162.921.700110.3P71 E72 K73 H77 F78 E79P71-Q75 PolarHBondContact O-N 2.74Å; P71-Q75 VanDerWaalsContact O-N 3.09Å; E72-Q75 WeakPolarHBondContact O-CB 3.32Å; E72-Q75 PolarHBondContact O-N 3.43Å; E72-Q75 VanDerWaalsContact O-N 3.15Å; K73-Q75 PolarHBondContact O-N 3.3Å; Q75-H77 PolarHBondContact O-N 3.33Å; Q75-F78 WeakPolarHBondContact O-CB 3.48Å; Q75-F78 PolarHBondContact O-N 3.19Å; Q75-F78 VanDerWaalsContact O-N 3.13Å; Q75-E79 HydrophobicContact CG-CG 4.3Å; Q75-E79 PolarHBondContact NE2-OE1 2.85Å; Q75-E79 VanDerWaalsContact O-CB 3.29Å; Q75-E79 WeakPolarHBondContact O-CB 3.17Å; Q75-E79 VanDerWaalsContact O-CG 3.24Å; Q75-E79 WeakPolarHBondContact O-CG 3.36Å; Q75-E79 PolarHBondContact O-N 2.77Å
76E82.4Confident77.3Confident118 Ų11867.6 Ų67.655%0.55135%0.354SS*.Hα-helixtrans-56.2-47.6174.7-71.6176.9175.800111.9E72 K73 F78 E79 D80E72-E76 WeakPolarHBondContact O-CG 3.24Å; E72-E76 PolarHBondContact O-N 3Å; K73-E76 PolarHBondContact O-N 2.97Å; E76-F78 VanDerWaalsContact C-N 3.3Å; E76-F78 PolarHBondContact O-N 3.18Å; E76-E79 WeakPolarHBondContact O-CB 3.27Å; E76-E79 PolarHBondContact O-N 3.35Å; E76-E79 VanDerWaalsContact O-N 3.13Å; E76-D80 WeakPolarHBondContact O-CB 3.49Å; E76-D80 PolarHBondContact O-N 3.28Å
77H83.1Confident78.8Confident113 Ų11370.5 Ų70.552%0.52335%0.353SS..Hα-helixtrans-60.5-37.7176.1-76.6-59.3000113.4K73 Q75 F81K73-H77 PolarHBondContact O-CD2 3.23Å; K73-H77 PolarHBondContact O-N 3.36Å; Q75-H77 PolarHBondContact O-N 3.33Å; H77-F81 WeakPolarHBondContact O-CB 3.47Å; H77-F81 PolarHBondContact O-N 3.03Å; H77-F81 VanDerWaalsContact O-N 3.13Å
78F84.9Confident80.4Confident0 Ų066.9 Ų66.90%034%0.336CS..Hα-helixtrans-68.9-40175.7174.9-107.5000111.9Y52 M74 Q75 E76 F81 Y82 V100 K174 I176Y52-F78 HydrophobicContact CD2-CD2 4.34Å; Y52-F78 AromaticContact CE1-CD2 3.94Å; Y52-F78 HydrophobicContact CE1-CD2 3.94Å; Y52-F78 HydrophobicContact CE1-CE2 4.43Å; Y52-F78 HydrophobicContact CE2-CB 4.41Å; Y52-F78 AromaticContact CE2-CD2 3.76Å; Y52-F78 HydrophobicContact CE2-CD2 3.76Å; Y52-F78 AromaticContact CZ-CD2 3.53Å; M74-F78 WeakPolarHBondContact O-CB 3.29Å; M74-F78 PolarHBondContact O-N 2.77Å; Q75-F78 WeakPolarHBondContact O-CB 3.48Å; Q75-F78 PolarHBondContact O-N 3.19Å; Q75-F78 VanDerWaalsContact O-N 3.13Å; E76-F78 VanDerWaalsContact C-N 3.3Å; E76-F78 PolarHBondContact O-N 3.18Å; F78-F81 PolarHBondContact O-N 3.21Å; F78-Y82 HydrophobicContact CZ-CD2 4.24Å; F78-Y82 WeakPolarHBondContact O-CB 3.38Å; F78-Y82 PolarHBondContact O-N 3.23Å; F78-V100 HydrophobicContact CE2-CB 3.72Å; F78-V100 HydrophobicContact CE2-CG1 3.76Å; F78-V100 HydrophobicContact CE2-CG2 4.04Å; F78-V100 HydrophobicContact CZ-CB 4.03Å; F78-V100 HydrophobicContact CZ-CG2 4.26Å; F78-K174 HydrophobicContact CB-CD 4.5Å; F78-K174 HydrophobicContact CD1-CD 3.95Å; F78-K174 HydrophobicContact CD1-CG 4.06Å; F78-K174 HydrophobicContact CD2-CD 3.69Å; F78-K174 HydrophobicContact CD2-CG 4.35Å; F78-K174 HydrophobicContact CE1-CB 4.14Å; F78-K174 HydrophobicContact CE1-CD 4.04Å; F78-K174 HydrophobicContact CE1-CG 3.71Å; F78-K174 HydrophobicContact CE2-CB 3.96Å; F78-K174 HydrophobicContact CE2-CD 3.76Å; F78-K174 HydrophobicContact CE2-CG 4.01Å; F78-K174 HydrophobicContact CG-CD 3.76Å; F78-K174 HydrophobicContact CG-CG 4.36Å; F78-K174 HydrophobicContact CZ-CB 3.63Å; F78-K174 HydrophobicContact CZ-CD 3.94Å; F78-K174 HydrophobicContact CZ-CG 3.68Å; F78-I176 HydrophobicContact CE1-CG1 4.03Å
79E85.7Confident81.9Confident43 Ų4361.8 Ų61.820%0.20130%0.303CS..Hα-helixtrans-67.2-44.3-179.6-79.6-169.5178.900111.9Q75 E76 Y82 E83 I176 G177 L180Q75-E79 HydrophobicContact CG-CG 4.3Å; Q75-E79 PolarHBondContact NE2-OE1 2.85Å; Q75-E79 VanDerWaalsContact O-CB 3.29Å; Q75-E79 WeakPolarHBondContact O-CB 3.17Å; Q75-E79 VanDerWaalsContact O-CG 3.24Å; Q75-E79 WeakPolarHBondContact O-CG 3.36Å; Q75-E79 PolarHBondContact O-N 2.77Å; E76-E79 WeakPolarHBondContact O-CB 3.27Å; E76-E79 PolarHBondContact O-N 3.35Å; E76-E79 VanDerWaalsContact O-N 3.13Å; E79-Y82 PolarHBondContact O-N 3.03Å; E79-E83 WeakPolarHBondContact O-CB 3.5Å; E79-E83 PolarHBondContact O-N 2.91Å; E79-I176 HydrophobicContact CG-CG2 4.11Å; E79-G177 WeakPolarHBondContact OE1-CA 3.44Å; E79-G177 PolarHBondContact OE1-N 2.95Å; E79-L180 HydrophobicContact CB-CD1 3.29Å; E79-L180 HydrophobicContact CG-CD1 3.21Å; E79-L180 WeakPolarHBondContact OE2-CD1 3.43Å
80D86.5Confident83.3Confident103 Ų10362.8 Ų62.855%0.55132%0.318SS*.Hα-helixtrans-60.3-46.3172.4-73.6-13.6000111.2E76 Y82 E83 D84E76-D80 WeakPolarHBondContact O-CB 3.49Å; E76-D80 PolarHBondContact O-N 3.28Å; D80-Y82 VanDerWaalsContact C-N 3.34Å; D80-Y82 PolarHBondContact O-N 3.02Å; D80-E83 PolarHBondContact O-N 3.39Å; D80-D84 WeakPolarHBondContact O-CB 3.5Å; D80-D84 PolarHBondContact O-N 3.26Å
81F87.7Confident84.3Confident13 Ų1365.9 Ų65.96%0.05733%0.327CS..Hα-helixtrans-59.4-45.5175.1173.2-95.3000111.3M51 Y52 H77 F78 E83 D84 I85 V100 V112 Y134M51-F81 HydrophobicContact CB-CZ 4.35Å; M51-F81 HydrophobicContact CG-CE2 4.12Å; M51-F81 HydrophobicContact CG-CZ 3.94Å; M51-F81 HydrophobicContact SD-CZ 4.24Å; Y52-F81 HydrophobicContact CD2-CB 4.41Å; Y52-F81 AromaticContact CD2-CD1 3.57Å; Y52-F81 HydrophobicContact CD2-CD1 3.57Å; Y52-F81 HydrophobicContact CD2-CD2 4.26Å; Y52-F81 AromaticContact CD2-CE1 3.82Å; Y52-F81 HydrophobicContact CD2-CE1 3.82Å; Y52-F81 HydrophobicContact CD2-CE2 4.48Å; Y52-F81 AromaticContact CD2-CG 3.81Å; Y52-F81 HydrophobicContact CD2-CG 3.81Å; Y52-F81 HydrophobicContact CD2-CZ 4.27Å; Y52-F81 HydrophobicContact CE2-CB 4.48Å; Y52-F81 HydrophobicContact CE2-CD1 4.27Å; Y52-F81 HydrophobicContact CE2-CG 4.35Å; Y52-F81 HydrophobicContact CG-CD1 4.29Å; Y52-F81 HydrophobicContact CG-CE1 4.13Å; H77-F81 WeakPolarHBondContact O-CB 3.47Å; H77-F81 PolarHBondContact O-N 3.03Å; H77-F81 VanDerWaalsContact O-N 3.13Å; F78-F81 PolarHBondContact O-N 3.21Å; F81-E83 PolarHBondContact O-N 3.48Å; F81-D84 PolarHBondContact O-N 3.44Å; F81-I85 HydrophobicContact CD1-CG1 4.34Å; F81-I85 HydrophobicContact CD2-CG1 4.24Å; F81-I85 HydrophobicContact CE1-CG1 3.96Å; F81-I85 HydrophobicContact CE2-CD1 4.13Å; F81-I85 HydrophobicContact CE2-CG1 3.86Å; F81-I85 HydrophobicContact CG-CG1 4.47Å; F81-I85 HydrophobicContact CZ-CD1 4.21Å; F81-I85 HydrophobicContact CZ-CG1 3.71Å; F81-I85 WeakPolarHBondContact O-CB 3.28Å; F81-I85 VanDerWaalsContact O-CG1 3.23Å; F81-I85 WeakPolarHBondContact O-CG1 3.44Å; F81-I85 PolarHBondContact O-N 3.39Å; F81-V100 HydrophobicContact CE1-CG1 4.47Å; F81-V100 HydrophobicContact CE1-CG2 4.31Å; F81-V112 HydrophobicContact CE1-CG2 3.93Å; F81-V112 HydrophobicContact CZ-CG2 3.95Å; F81-Y134 AromaticContact CD2-CE1 3.67Å; F81-Y134 HydrophobicContact CD2-CE1 3.67Å; F81-Y134 AromaticContact CD2-CZ 3.75Å; F81-Y134 WeakPolarHBondContact CD2-OH 3.36Å; F81-Y134 HydrophobicContact CE2-CD1 4.27Å; F81-Y134 AromaticContact CE2-CE1 3.55Å; F81-Y134 HydrophobicContact CE2-CE1 3.55Å; F81-Y134 AromaticContact CE2-CZ 3.88Å
82Y88.9Confident85.2Confident7 Ų763.7 Ų63.73%0.02731%0.308CS..Hα-helixtrans-64.2-41.7-179.1-167.6-80.4000111.7F78 E79 D80 Y86 L98 V100 I176 L184F78-Y82 HydrophobicContact CZ-CD2 4.24Å; F78-Y82 WeakPolarHBondContact O-CB 3.38Å; F78-Y82 PolarHBondContact O-N 3.23Å; E79-Y82 PolarHBondContact O-N 3.03Å; D80-Y82 VanDerWaalsContact C-N 3.34Å; D80-Y82 PolarHBondContact O-N 3.02Å; Y82-Y86 HydrophobicContact CE1-CD2 4.44Å; Y82-Y86 VanDerWaalsContact O-CB 3.22Å; Y82-Y86 WeakPolarHBondContact O-CB 3.47Å; Y82-Y86 PolarHBondContact O-N 3.01Å; Y82-L98 HydrophobicContact CD1-CD2 4.29Å; Y82-L98 HydrophobicContact CD2-CD2 4.31Å; Y82-L98 HydrophobicContact CE1-CD2 3.75Å; Y82-L98 HydrophobicContact CE1-CG 4.45Å; Y82-L98 HydrophobicContact CE2-CB 4.38Å; Y82-L98 HydrophobicContact CE2-CD2 3.78Å; Y82-L98 HydrophobicContact CE2-CG 3.76Å; Y82-L98 VanDerWaalsContact CZ-CD2 3.47Å; Y82-L98 WeakPolarHBondContact OH-CB 3.47Å; Y82-L98 PolarHBondContact OH-O 2.95Å; Y82-V100 HydrophobicContact CD2-CG2 3.84Å; Y82-V100 HydrophobicContact CE2-CG2 4.14Å; Y82-I176 HydrophobicContact CD1-CD1 3.78Å; Y82-I176 HydrophobicContact CD1-CG1 4.04Å; Y82-I176 HydrophobicContact CD2-CD1 3.87Å; Y82-I176 HydrophobicContact CD2-CG1 3.71Å; Y82-I176 HydrophobicContact CE1-CD1 3.31Å; Y82-I176 HydrophobicContact CE1-CG1 4.08Å; Y82-I176 HydrophobicContact CE2-CD1 3.41Å; Y82-I176 VanDerWaalsContact CE2-CD1 3.41Å; Y82-I176 HydrophobicContact CE2-CG1 3.74Å; Y82-I176 HydrophobicContact CG-CD1 4.04Å; Y82-I176 HydrophobicContact CG-CG1 3.87Å; Y82-I176 WeakPolarHBondContact OH-CD1 3.17Å; Y82-L184 HydrophobicContact CD1-CD1 3.68Å; Y82-L184 HydrophobicContact CE1-CD1 3.67Å
83E88.2Confident86Confident70 Ų7057.1 Ų57.133%0.32728%0.281SS..Hα-helixtrans-63-47.8177.1-175165-162.800111.4E79 D80 F81 I85 Y86 E87E79-E83 WeakPolarHBondContact O-CB 3.5Å; E79-E83 PolarHBondContact O-N 2.91Å; D80-E83 PolarHBondContact O-N 3.39Å; F81-E83 PolarHBondContact O-N 3.48Å; E83-I85 PolarHBondContact O-N 3.26Å; E83-Y86 PolarHBondContact O-N 3.01Å; E83-E87 HydrophobicContact CG-CG 4.45Å; E83-E87 WeakPolarHBondContact O-CB 3.34Å; E83-E87 WeakPolarHBondContact O-CG 3.4Å; E83-E87 PolarHBondContact O-N 3.44Å
84D90.2Very high86.6Confident75 Ų7557.4 Ų57.440%0.40128%0.284SS..Hα-helixtrans-59.2-46.5179.2-17131.1000112D80 F81 E87 E88 Y134D80-D84 WeakPolarHBondContact O-CB 3.5Å; D80-D84 PolarHBondContact O-N 3.26Å; F81-D84 PolarHBondContact O-N 3.44Å; D84-E87 PolarHBondContact O-N 3.06Å; D84-E88 WeakPolarHBondContact O-CB 3.48Å; D84-E88 PolarHBondContact O-N 2.87Å; D84-Y134 VanDerWaalsContact OD2-CE2 3.31Å; D84-Y134 WeakPolarHBondContact OD2-CE2 3.18Å; D84-Y134 PolarHBondContact OD2-OH 2.65Å
85I89.1Confident87.4Confident9 Ų956.5 Ų56.55%0.04628%0.28CS..Hα-helixtrans-65.2-43.7177.3-64.3-57.4000111.7M51 F81 E83 E88 L89 L98 V112 Y134M51-I85 HydrophobicContact CE-CD1 3.18Å; M51-I85 HydrophobicContact CE-CG1 4.48Å; M51-I85 HydrophobicContact SD-CD1 3.6Å; M51-I85 VanDerWaalsContact SD-CD1 3.6Å; M51-I85 HydrophobicContact SD-CG1 4.45Å; F81-I85 HydrophobicContact CD1-CG1 4.34Å; F81-I85 HydrophobicContact CD2-CG1 4.24Å; F81-I85 HydrophobicContact CE1-CG1 3.96Å; F81-I85 HydrophobicContact CE2-CD1 4.13Å; F81-I85 HydrophobicContact CE2-CG1 3.86Å; F81-I85 HydrophobicContact CG-CG1 4.47Å; F81-I85 HydrophobicContact CZ-CD1 4.21Å; F81-I85 HydrophobicContact CZ-CG1 3.71Å; F81-I85 WeakPolarHBondContact O-CB 3.28Å; F81-I85 VanDerWaalsContact O-CG1 3.23Å; F81-I85 WeakPolarHBondContact O-CG1 3.44Å; F81-I85 PolarHBondContact O-N 3.39Å; E83-I85 PolarHBondContact O-N 3.26Å; I85-E88 PolarHBondContact O-N 2.96Å; I85-L89 HydrophobicContact CG2-CD1 3.39Å; I85-L89 HydrophobicContact CG2-CG 4.23Å; I85-L89 VanDerWaalsContact O-CB 3.27Å; I85-L89 WeakPolarHBondContact O-CB 3.49Å; I85-L89 WeakPolarHBondContact O-CD1 3.46Å; I85-L89 WeakPolarHBondContact O-CG 3.47Å; I85-L89 PolarHBondContact O-N 2.96Å; I85-L98 HydrophobicContact CG2-CD1 4.15Å; I85-L98 HydrophobicContact CG2-CD2 4.27Å; I85-V112 HydrophobicContact CG2-CG1 4.35Å; I85-Y134 HydrophobicContact CD1-CE2 4.38Å
86Y88.7Confident87.9Confident44 Ų4458.5 Ų58.517%0.17329%0.289CS..Hα-helixtrans-64.6-42.3179-175-87.8000111.9Y82 E83 G90 I95 L98 L184 Y185Y82-Y86 HydrophobicContact CE1-CD2 4.44Å; Y82-Y86 VanDerWaalsContact O-CB 3.22Å; Y82-Y86 WeakPolarHBondContact O-CB 3.47Å; Y82-Y86 PolarHBondContact O-N 3.01Å; E83-Y86 PolarHBondContact O-N 3.01Å; Y86-G90 PolarHBondContact O-N 3.46Å; Y86-I95 HydrophobicContact CD2-CD1 3.95Å; Y86-I95 HydrophobicContact CE2-CB 4.35Å; Y86-I95 HydrophobicContact CE2-CD1 4.13Å; Y86-I95 HydrophobicContact CG-CD1 4.43Å; Y86-L98 HydrophobicContact CD2-CD2 3.87Å; Y86-L98 HydrophobicContact CG-CD2 4.36Å; Y86-L184 HydrophobicContact CD1-CB 4.34Å; Y86-L184 HydrophobicContact CD1-CD1 4.41Å; Y86-L184 HydrophobicContact CD1-CD2 3.74Å; Y86-L184 HydrophobicContact CD1-CG 4.38Å; Y86-L184 HydrophobicContact CE1-CB 4.08Å; Y86-L184 HydrophobicContact CE1-CD2 4.11Å; Y86-L184 HydrophobicContact CG-CD1 4.25Å; Y86-L184 HydrophobicContact CG-CD2 4.35Å; Y86-Y185 HydrophobicContact CE2-CE1 4.03Å; Y86-Y185 HydrophobicContact CE2-CE2 4.29Å; Y86-Y185 AromaticContact CE2-CZ 3.76Å
87E88.3Confident88.1Confident116 Ų11656 Ų5654%0.54228%0.28SS..Hα-helixtrans-67.4-40.2177.5-72.8-164.2160.600112.4E83 D84E83-E87 HydrophobicContact CG-CG 4.45Å; E83-E87 WeakPolarHBondContact O-CB 3.34Å; E83-E87 WeakPolarHBondContact O-CG 3.4Å; E83-E87 PolarHBondContact O-N 3.44Å; D84-E87 PolarHBondContact O-N 3.06Å
88E89.6Confident88.5Confident46 Ų4650.9 Ų50.922%0.21526%0.256CS..Hα-helixtrans-68-45.1178.4-169.561.5-156.800111.5D84 I85 G90 K91 F92 R132D84-E88 WeakPolarHBondContact O-CB 3.48Å; D84-E88 PolarHBondContact O-N 2.87Å; I85-E88 PolarHBondContact O-N 2.96Å; E88-G90 VanDerWaalsContact C-N 3.34Å; E88-K91 WeakPolarHBondContact O-CB 3.41Å; E88-K91 PolarHBondContact O-N 2.66Å; E88-K91 IonicContact OE1-NZ 2.91Å; E88-K91 IonicContact OE2-NZ 3.98Å; E88-K91 PolarHBondContact OE2-NZ 3.47Å; E88-F92 WeakPolarHBondContact O-CD2 3.33Å; E88-F92 WeakPolarHBondContact O-CE2 3.31Å; E88-R132 IonicContact OE1-CZ 3.81Å; E88-R132 IonicContact OE1-NH1 2.77Å; E88-R132 PolarHBondContact OE1-NH1 3.15Å
89L88.8Confident88.7Confident3 Ų352.1 Ų52.12%0.01626%0.263CS..Hα-helixtrans-70-32.7178.8-67.8167.9000112.3I85 K91 F92 I95 L98 V114 F116 L129I85-L89 HydrophobicContact CG2-CD1 3.39Å; I85-L89 HydrophobicContact CG2-CG 4.23Å; I85-L89 VanDerWaalsContact O-CB 3.27Å; I85-L89 WeakPolarHBondContact O-CB 3.49Å; I85-L89 WeakPolarHBondContact O-CD1 3.46Å; I85-L89 WeakPolarHBondContact O-CG 3.47Å; I85-L89 PolarHBondContact O-N 2.96Å; L89-K91 PolarHBondContact O-N 3.27Å; L89-K91 VanDerWaalsContact O-N 3.12Å; L89-F92 PolarHBondContact O-N 2.96Å; L89-I95 HydrophobicContact CB-CD1 3.5Å; L89-I95 VanDerWaalsContact CB-CD1 3.5Å; L89-I95 HydrophobicContact CB-CG1 4.33Å; L89-L98 HydrophobicContact CD1-CD1 4.08Å; L89-V114 HydrophobicContact CD1-CB 4.2Å; L89-V114 HydrophobicContact CD1-CG1 3.76Å; L89-V114 HydrophobicContact CD1-CG2 3.39Å; L89-V114 HydrophobicContact CD2-CG2 4.45Å; L89-F116 HydrophobicContact CB-CZ 4.31Å; L89-F116 HydrophobicContact CD2-CZ 4.1Å; L89-L129 HydrophobicContact CD2-CD1 3.71Å
90G88.4Confident89Confident40 Ų4050.2 Ų50.241%0.41225%0.254SS..THydrogen-bonded Turntrans-64.4-13.3177.400000114Y86 E88Y86-G90 PolarHBondContact O-N 3.46Å; E88-G90 VanDerWaalsContact C-N 3.34Å
91K89.3Confident89.1Confident144 Ų14445.3 Ų45.363%0.62623%0.227SC*.THydrogen-bonded Turntrans-73.3-27.8172.8-65.2168.4-172.1171.40112.7E88 L89E88-K91 WeakPolarHBondContact O-CB 3.41Å; E88-K91 PolarHBondContact O-N 2.66Å; E88-K91 IonicContact OE1-NZ 2.91Å; E88-K91 IonicContact OE2-NZ 3.98Å; E88-K91 PolarHBondContact OE2-NZ 3.47Å; L89-K91 PolarHBondContact O-N 3.27Å; L89-K91 VanDerWaalsContact O-N 3.12Å
92F89.1Confident89Confident52 Ų5245.4 Ų45.423%0.22823%0.229CC..THydrogen-bonded Turntrans-92.1-26.5-176.5-56.1-72000112.6E88 L89 A125 A128E88-F92 WeakPolarHBondContact O-CD2 3.33Å; E88-F92 WeakPolarHBondContact O-CE2 3.31Å; L89-F92 PolarHBondContact O-N 2.96Å; F92-A125 HydrophobicContact CB-CB 3.92Å; F92-A125 HydrophobicContact CD2-CB 3.93Å; F92-A125 HydrophobicContact CG-CB 3.94Å; F92-A128 HydrophobicContact CD1-CB 4.13Å; F92-A128 HydrophobicContact CE1-CB 3.22Å; F92-A128 HydrophobicContact CE2-CB 4.26Å; F92-A128 HydrophobicContact CZ-CB 3.3Å
93G88.9Confident88.8Confident14 Ų1445.1 Ų45.114%0.14423%0.228CC..SBendtrans-178.1-179.7-176.500000115.5Q121G93-Q121 VanDerWaalsContact CA-OE1 3.31Å
94E89.5Confident88.6Confident111 Ų11146.8 Ų46.852%0.51924%0.238SC..  trans-81.8116.5173.8-174172.9-157.400108.8R117E94-R117 HydrophobicContact CB-CB 4.38Å; E94-R117 PolarHBondContact O-N 2.91Å; E94-R117 VanDerWaalsContact OE2-CD 3.27Å; E94-R117 WeakPolarHBondContact OE2-CD 3.28Å; E94-R117 IonicContact OE2-CZ 3.09Å; E94-R117 IonicContact OE2-NE 3.02Å; E94-R117 IonicContact OE2-NH1 2.87Å; E94-R117 PolarHBondContact OE2-NH1 2.82Å
95I90.1Very high88.3Confident11 Ų1143.5 Ų43.56%0.05622%0.221CC..EExtended strand (participates in β ladder)trans-85.8119178.4-54.8169.9000108.6Y86 L89 L98 V114 F116Y86-I95 HydrophobicContact CD2-CD1 3.95Å; Y86-I95 HydrophobicContact CE2-CB 4.35Å; Y86-I95 HydrophobicContact CE2-CD1 4.13Å; Y86-I95 HydrophobicContact CG-CD1 4.43Å; L89-I95 HydrophobicContact CB-CD1 3.5Å; L89-I95 VanDerWaalsContact CB-CD1 3.5Å; L89-I95 HydrophobicContact CB-CG1 4.33Å; I95-L98 HydrophobicContact CG2-CB 4.06Å; I95-V114 HydrophobicContact CG1-CG1 4.44Å; I95-V114 HydrophobicContact CG2-CG1 4.11Å; I95-F116 HydrophobicContact CG1-CD1 4.38Å; I95-F116 HydrophobicContact CG1-CE1 4.02Å
96E88Confident88.1Confident97 Ų9750.4 Ų50.445%0.45326%0.258SS..EExtended strand (participates in β ladder)trans-78.5-48.7173.7-63.8-163.2155.700111Q115 R117E96-Q115 HydrophobicContact CB-CG 4.39Å; E96-Q115 PolarHBondContact N-O 3.24Å; E96-R117 HydrophobicContact CG-CB 4.06Å
97N88Confident87.9Confident66 Ų6650.3 Ų50.335%0.35326%0.259SS..EExtended strand (participates in β ladder)trans-139.5133.7-177.7-66.7-68.3000110.9Q115 F149N97-Q115 HydrophobicContact CB-CB 4.23Å; N97-Q115 PolarHBondContact N-O 3.07Å; N97-Q115 PolarHBondContact ND2-OE1 2.96Å; N97-Q115 PolarHBondContact O-N 3.34Å; N97-F149 HydrophobicContact CB-CD2 3.85Å; N97-F149 HydrophobicContact CB-CE2 3.67Å
98L90.4Very high87.7Confident4 Ų444.8 Ų44.82%0.02123%0.233CC..EExtended strand (participates in β ladder)trans-128.6111.6172.8175.768.9000108.6Y82 I85 Y86 L89 I95 V112 Y113 V114Y82-L98 HydrophobicContact CD1-CD2 4.29Å; Y82-L98 HydrophobicContact CD2-CD2 4.31Å; Y82-L98 HydrophobicContact CE1-CD2 3.75Å; Y82-L98 HydrophobicContact CE1-CG 4.45Å; Y82-L98 HydrophobicContact CE2-CB 4.38Å; Y82-L98 HydrophobicContact CE2-CD2 3.78Å; Y82-L98 HydrophobicContact CE2-CG 3.76Å; Y82-L98 VanDerWaalsContact CZ-CD2 3.47Å; Y82-L98 WeakPolarHBondContact OH-CB 3.47Å; Y82-L98 PolarHBondContact OH-O 2.95Å; I85-L98 HydrophobicContact CG2-CD1 4.15Å; I85-L98 HydrophobicContact CG2-CD2 4.27Å; Y86-L98 HydrophobicContact CD2-CD2 3.87Å; Y86-L98 HydrophobicContact CG-CD2 4.36Å; L89-L98 HydrophobicContact CD1-CD1 4.08Å; I95-L98 HydrophobicContact CG2-CB 4.06Å; L98-V112 HydrophobicContact CD1-CG1 3.6Å; L98-Y113 WeakPolarHBondContact CA-O 3.44Å; L98-V114 HydrophobicContact CD1-CB 4.38Å; L98-V114 HydrophobicContact CD1-CG1 4.44Å; L98-V114 HydrophobicContact CD1-CG2 3.7Å
99N90.4Very high87.6Confident27 Ų2744.2 Ų44.214%0.14423%0.232CC..EExtended strand (participates in β ladder)trans-120.8128.9-175.5-68.1-40.1000110.3V112 Y113 F149 V173N99-V112 WeakPolarHBondContact O-CA 3.28Å; N99-Y113 PolarHBondContact N-O 3.38Å; N99-Y113 PolarHBondContact O-N 3.04Å; N99-F149 WeakPolarHBondContact ND2-CD1 3.35Å; N99-F149 WeakPolarHBondContact ND2-CG 3.34Å; N99-V173 HydrophobicContact CB-CG1 4.15Å; N99-V173 HydrophobicContact CB-CG2 4.26Å
100V90.4Very high87.6Confident2 Ų244.1 Ų44.11%0.01223%0.232CC..EExtended strand (participates in β ladder)trans-107.7126175-175.40000109.3Y52 F78 F81 Y82 V112 V173 K174Y52-V100 HydrophobicContact CD1-CG1 3.94Å; Y52-V100 HydrophobicContact CG-CG1 3.93Å; F78-V100 HydrophobicContact CE2-CB 3.72Å; F78-V100 HydrophobicContact CE2-CG1 3.76Å; F78-V100 HydrophobicContact CE2-CG2 4.04Å; F78-V100 HydrophobicContact CZ-CB 4.03Å; F78-V100 HydrophobicContact CZ-CG2 4.26Å; F81-V100 HydrophobicContact CE1-CG1 4.47Å; F81-V100 HydrophobicContact CE1-CG2 4.31Å; Y82-V100 HydrophobicContact CD2-CG2 3.84Å; Y82-V100 HydrophobicContact CE2-CG2 4.14Å; V100-V112 HydrophobicContact CG1-CG2 4.15Å; V100-V112 HydrophobicContact CG2-CG1 4.17Å; V100-V112 HydrophobicContact CG2-CG2 4.14Å; V100-V173 WeakPolarHBondContact O-CA 3.49Å; V100-K174 PolarHBondContact O-N 2.96Å
101C89Confident87.7Confident0 Ų042.8 Ų42.80%022%0.215CC..EExtended strand (participates in β ladder)trans-87.4127.7-179.8-66.60000111.7M108 G110 N111 Y113 H172C101-M108 WeakPolarHBondContact CB-O 3.34Å; C101-G110 PolarHBondContact O-N 2.89Å; C101-N111 HydrophobicContact CB-CB 4.33Å; C101-N111 WeakPolarHBondContact CB-O 3.48Å; C101-N111 PolarHBondContact N-O 2.81Å; C101-Y113 WeakPolarHBondContact SG-CE2 3.34Å; C101-H172 WeakPolarHBondContact CA-O 3.31Å
102D85.9Confident87.9Confident16 Ų1636 Ų369%0.08619%0.185CC..EExtended strand (participates in β ladder)trans-106.828.4179.9-156.742.8000111.7R54 H172 K174R54-D102 WeakPolarHBondContact CD-OD1 3.36Å; R54-D102 IonicContact CZ-OD1 3.25Å; R54-D102 IonicContact CZ-OD2 2.79Å; R54-D102 IonicContact NE-OD1 3.76Å; R54-D102 PolarHBondContact NE-OD1 3.46Å; R54-D102 IonicContact NE-OD2 2.66Å; R54-D102 IonicContact NH1-OD1 2.66Å; R54-D102 PolarHBondContact NH1-OD1 3.13Å; R54-D102 IonicContact NH1-OD2 3.75Å; R54-D102 PolarHBondContact NH1-OD2 3.19Å; R54-D102 VanDerWaalsContact NH2-CG 3.29Å; R54-D102 IonicContact NH2-OD1 3.96Å; R54-D102 PolarHBondContact NH2-OD1 3.08Å; R54-D102 IonicContact NH2-OD2 2.65Å; R54-D102 PolarHBondContact NH2-OD2 2.75Å; D102-H172 PolarHBondContact N-O 3.37Å; D102-K174 HydrophobicContact CB-CB 4.08Å
103N85.5Confident88.1Confident1 Ų133.5 Ų33.51%0.00518%0.175CC..  trans-71147.8-179.9-72.481.5000110.8A105 M108 I109 F170 H172N103-A105 VanDerWaalsContact C-N 3.34Å; N103-M108 HydrophobicContact CB-CB 3.71Å; N103-M108 HydrophobicContact CB-CE 4.42Å; N103-M108 WeakPolarHBondContact ND2-CE 3.29Å; N103-I109 WeakPolarHBondContact O-CA 3.1Å; N103-I109 WeakPolarHBondContact O-CB 3.35Å; N103-I109 VanDerWaalsContact O-CG1 3.31Å; N103-I109 WeakPolarHBondContact O-CG1 3.33Å; N103-F170 PolarHBondContact ND2-O 3.25Å; N103-H172 PolarHBondContact OD1-N 3.03Å
104L83.2Confident88.2Confident105 Ų10532.8 Ų32.855%0.5517%0.168SC..  trans-89.4-4.2171.7-62.7173.6000112.6
105A84.4Confident88.4Confident6 Ų628.6 Ų28.65%0.0515%0.148CC..SBendtrans-83.9133.9-176.800000110.5N103 H107 M108 I109 G166N103-A105 VanDerWaalsContact C-N 3.34Å; A105-H107 VanDerWaalsContact CB-CE1 3.44Å; A105-H107 WeakPolarHBondContact CB-CE1 3.32Å; A105-H107 PolarHBondContact O-N 3.29Å; A105-M108 PolarHBondContact O-N 3.28Å; A105-I109 WeakPolarHBondContact O-CB 3.33Å; A105-I109 PolarHBondContact O-N 3.39Å; A105-G166 WeakPolarHBondContact CB-O 3.36Å
106D83.5Confident88.6Confident153 Ų15328.1 Ų28.182%0.81815%0.146SC*.THydrogen-bonded Turntrans-52.4-30.5-175.7-58.7-20.6000114.9
107H84.9Confident88.7Confident42 Ų4230.2 Ų30.219%0.19415%0.149CC..THydrogen-bonded Turntrans-83.8-11.4-17862.3-75.4000114A26 A105 N111A26-H107 WeakPolarHBondContact CB-O 3.39Å; A105-H107 VanDerWaalsContact CB-CE1 3.44Å; A105-H107 WeakPolarHBondContact CB-CE1 3.32Å; A105-H107 PolarHBondContact O-N 3.29Å; H107-N111 PolarHBondContact O-ND2 2.9Å; H107-N111 VanDerWaalsContact O-ND2 3.12Å
108M84.9Confident88.9Confident0 Ų031.9 Ų31.90%016%0.155CC..THydrogen-bonded Turntrans-131.6-5.2-177.8-58.1-144.2-59.800114.4I24 A26 C101 N103 A105 G110 N111 N169 F170 M171I24-M108 HydrophobicContact CG2-CE 4.38Å; I24-M108 HydrophobicContact CG2-SD 3.29Å; I24-M108 WeakPolarHBondContact CG2-SD 3.27Å; A26-M108 HydrophobicContact CB-CG 3.85Å; A26-M108 HydrophobicContact CB-SD 4.07Å; C101-M108 WeakPolarHBondContact CB-O 3.34Å; N103-M108 HydrophobicContact CB-CB 3.71Å; N103-M108 HydrophobicContact CB-CE 4.42Å; N103-M108 WeakPolarHBondContact ND2-CE 3.29Å; A105-M108 PolarHBondContact O-N 3.28Å; M108-G110 PolarHBondContact O-N 3.06Å; M108-N111 PolarHBondContact O-N 2.91Å; M108-N169 VanDerWaalsContact CE-C 3.49Å; M108-N169 WeakPolarHBondContact CE-O 3.4Å; M108-F170 VanDerWaalsContact CE-O 3.22Å; M108-F170 WeakPolarHBondContact CE-O 3.42Å; M108-M171 HydrophobicContact CE-CG 4.44Å; M108-M171 HydrophobicContact SD-CG 4.23Å
109I87.9Confident89Confident34 Ų3436.4 Ų36.417%0.17418%0.176CC..EExtended strand (participates in β ladder)trans-62.7121.7-177.8-171.9162000110.5N50 M57 N103 A105 N111N50-I109 WeakPolarHBondContact CA-O 3.43Å; M57-I109 HydrophobicContact CE-CD1 3.85Å; M57-I109 HydrophobicContact CE-CG1 3.87Å; M57-I109 HydrophobicContact SD-CD1 3.61Å; M57-I109 HydrophobicContact SD-CG1 4.32Å; N103-I109 WeakPolarHBondContact O-CA 3.1Å; N103-I109 WeakPolarHBondContact O-CB 3.35Å; N103-I109 VanDerWaalsContact O-CG1 3.31Å; N103-I109 WeakPolarHBondContact O-CG1 3.33Å; A105-I109 WeakPolarHBondContact O-CB 3.33Å; A105-I109 PolarHBondContact O-N 3.39Å; I109-N111 PolarHBondContact O-N 2.79Å
110G87.1Confident89.1Confident2 Ų243 Ų432%0.02121%0.206CC..EExtended strand (participates in β ladder)trans67.314.2176.900000115.1M51 Y52 C101 M108M51-G110 PolarHBondContact N-O 2.98Å; Y52-G110 PolarHBondContact N-O 3.39Å; Y52-G110 WeakPolarHBondContact O-CA 3.31Å; C101-G110 PolarHBondContact O-N 2.89Å; M108-G110 PolarHBondContact O-N 3.06Å
111N92.2Very high89.2Confident12 Ų1245.2 Ų45.26%0.06422%0.216CC..EExtended strand (participates in β ladder)trans-70.2134177.1-73.50.9000110.3V47 L48 A49 N50 C101 H107 M108 I109 Y113V47-N111 HydrophobicContact CG2-CB 4.19Å; L48-N111 WeakPolarHBondContact O-CA 3.26Å; A49-N111 WeakPolarHBondContact CA-OD1 3.32Å; N50-N111 PolarHBondContact N-OD1 3.37Å; C101-N111 HydrophobicContact CB-CB 4.33Å; C101-N111 WeakPolarHBondContact CB-O 3.48Å; C101-N111 PolarHBondContact N-O 2.81Å; H107-N111 PolarHBondContact O-ND2 2.9Å; H107-N111 VanDerWaalsContact O-ND2 3.12Å; M108-N111 PolarHBondContact O-N 2.91Å; I109-N111 PolarHBondContact O-N 2.79Å; N111-Y113 HydrophobicContact CB-CD2 4.42Å; N111-Y113 HydrophobicContact CB-CE2 3.74Å
112V91.9Very high89.4Confident0 Ų045.2 Ų45.20%022%0.216CC..EExtended strand (participates in β ladder)trans-111.6123.1174.3-176.70000108.5V47 L48 M51 F81 I85 L98 N99 V100 V114V47-V112 CarbonylContact C-O 3.58Å; V47-V112 WeakPolarHBondContact CA-O 3.08Å; L48-V112 HydrophobicContact CB-CB 4.12Å; L48-V112 HydrophobicContact CD1-CB 4.29Å; L48-V112 HydrophobicContact CD1-CG1 4.4Å; L48-V112 HydrophobicContact CG-CB 4.47Å; L48-V112 PolarHBondContact N-O 3.37Å; L48-V112 PolarHBondContact O-N 2.9Å; M51-V112 HydrophobicContact CB-CG2 4.1Å; F81-V112 HydrophobicContact CE1-CG2 3.93Å; F81-V112 HydrophobicContact CZ-CG2 3.95Å; I85-V112 HydrophobicContact CG2-CG1 4.35Å; L98-V112 HydrophobicContact CD1-CG1 3.6Å; N99-V112 WeakPolarHBondContact O-CA 3.28Å; V100-V112 HydrophobicContact CG1-CG2 4.15Å; V100-V112 HydrophobicContact CG2-CG1 4.17Å; V100-V112 HydrophobicContact CG2-CG2 4.14Å; V112-V114 HydrophobicContact CG1-CG2 4.32Å
113Y93.2Very high89.7Confident0 Ų045.6 Ų45.60%022%0.222CC..EExtended strand (participates in β ladder)trans-104.1129.1177-65.9-98.5000109.8I24 L46 V47 L98 N99 C101 N111 V146 F149 M171I24-Y113 VanDerWaalsContact O-CE1 3.28Å; I24-Y113 WeakPolarHBondContact O-CE1 3.24Å; I24-Y113 PolarHBondContact O-OH 3.42Å; L46-Y113 WeakPolarHBondContact O-CA 3.32Å; V47-Y113 HydrophobicContact CB-CD1 4.07Å; V47-Y113 HydrophobicContact CB-CE1 4.01Å; V47-Y113 HydrophobicContact CG2-CD1 4.05Å; V47-Y113 HydrophobicContact CG2-CE1 3.74Å; V47-Y113 HydrophobicContact CG2-CE2 4.21Å; V47-Y113 HydrophobicContact CG2-CG 4.46Å; L98-Y113 WeakPolarHBondContact CA-O 3.44Å; N99-Y113 PolarHBondContact N-O 3.38Å; N99-Y113 PolarHBondContact O-N 3.04Å; C101-Y113 WeakPolarHBondContact SG-CE2 3.34Å; N111-Y113 HydrophobicContact CB-CD2 4.42Å; N111-Y113 HydrophobicContact CB-CE2 3.74Å; Y113-V146 HydrophobicContact CE1-CG2 4.27Å; Y113-F149 HydrophobicContact CD1-CE1 4.35Å; Y113-F149 HydrophobicContact CG-CE1 4.16Å; Y113-M171 HydrophobicContact CD1-SD 4.46Å; Y113-M171 HydrophobicContact CD2-SD 3.69Å; Y113-M171 HydrophobicContact CE1-SD 4.2Å; Y113-M171 HydrophobicContact CE2-CG 4.45Å; Y113-M171 HydrophobicContact CE2-SD 3.42Å; Y113-M171 WeakPolarHBondContact CE2-SD 3.47Å; Y113-M171 HydrophobicContact CG-SD 4.21Å
114V92.9Very high90.1Very high0 Ų047.7 Ų47.70%024%0.239CC..EExtended strand (participates in β ladder)trans-123.9123-178.4-168.70000107.6T45 L46 L48 L89 I95 L98 V112 F116T45-V114 CarbonylContact C-O 3.56Å; T45-V114 VanDerWaalsContact CA-O 3.24Å; T45-V114 WeakPolarHBondContact CA-O 3.43Å; T45-V114 WeakPolarHBondContact CG2-O 3.43Å; L46-V114 PolarHBondContact N-O 3.49Å; L46-V114 PolarHBondContact O-N 3.27Å; L48-V114 HydrophobicContact CD1-CG2 4.29Å; L89-V114 HydrophobicContact CD1-CB 4.2Å; L89-V114 HydrophobicContact CD1-CG1 3.76Å; L89-V114 HydrophobicContact CD1-CG2 3.39Å; L89-V114 HydrophobicContact CD2-CG2 4.45Å; I95-V114 HydrophobicContact CG1-CG1 4.44Å; I95-V114 HydrophobicContact CG2-CG1 4.11Å; L98-V114 HydrophobicContact CD1-CB 4.38Å; L98-V114 HydrophobicContact CD1-CG1 4.44Å; L98-V114 HydrophobicContact CD1-CG2 3.7Å; V112-V114 HydrophobicContact CG1-CG2 4.32Å; V114-F116 HydrophobicContact CB-CE2 4.28Å; V114-F116 HydrophobicContact CG1-CD2 4.14Å; V114-F116 HydrophobicContact CG1-CE1 4.48Å; V114-F116 HydrophobicContact CG1-CE2 3.6Å; V114-F116 HydrophobicContact CG1-CZ 3.81Å
115Q93.1Very high90.5Very high22 Ų2242.7 Ų42.710%0.10321%0.213CC..EExtended strand (participates in β ladder)trans-110.3119.3171.4179.4175.25300109.2T45 E96 N97 T147 F149T45-Q115 HydrophobicContact CG2-CB 4.47Å; E96-Q115 HydrophobicContact CB-CG 4.39Å; E96-Q115 PolarHBondContact N-O 3.24Å; N97-Q115 HydrophobicContact CB-CB 4.23Å; N97-Q115 PolarHBondContact N-O 3.07Å; N97-Q115 PolarHBondContact ND2-OE1 2.96Å; N97-Q115 PolarHBondContact O-N 3.34Å; Q115-T147 PolarHBondContact NE2-O 2.75Å; Q115-T147 VanDerWaalsContact NE2-O 3.15Å; Q115-F149 HydrophobicContact CB-CE2 3.65Å; Q115-F149 HydrophobicContact CB-CZ 4.04Å; Q115-F149 HydrophobicContact CG-CE2 4.36Å
116F93.3Very high90.9Very high2 Ų244.7 Ų44.71%0.00922%0.219CC..EExtended strand (participates in β ladder)trans-88.6157.6170.8-67.4-84000110.2P44 L46 L89 I95 V114 Q121 A122 A125P44-F116 PolarHBondContact O-N 3.29Å; L46-F116 HydrophobicContact CD1-CE2 3.95Å; L46-F116 HydrophobicContact CG-CE2 4.37Å; L89-F116 HydrophobicContact CB-CZ 4.31Å; L89-F116 HydrophobicContact CD2-CZ 4.1Å; I95-F116 HydrophobicContact CG1-CD1 4.38Å; I95-F116 HydrophobicContact CG1-CE1 4.02Å; V114-F116 HydrophobicContact CB-CE2 4.28Å; V114-F116 HydrophobicContact CG1-CD2 4.14Å; V114-F116 HydrophobicContact CG1-CE1 4.48Å; V114-F116 HydrophobicContact CG1-CE2 3.6Å; V114-F116 HydrophobicContact CG1-CZ 3.81Å; F116-Q121 HydrophobicContact CB-CB 4.14Å; F116-Q121 HydrophobicContact CD1-CB 3.97Å; F116-Q121 HydrophobicContact CG-CB 4.17Å; F116-A122 HydrophobicContact CB-CB 4.31Å; F116-A122 HydrophobicContact CD2-CB 3.68Å; F116-A122 HydrophobicContact CE2-CB 4.43Å; F116-A122 HydrophobicContact CG-CB 4.29Å; F116-A125 HydrophobicContact CE2-CB 3.82Å; F116-A125 HydrophobicContact CZ-CB 3.61Å
117R91.4Very high91.3Very high140 Ų14042.6 Ų42.653%0.52821%0.208SC..SBendtrans-68.7-38.9174.3-178.3175.5173.1170.91.8112.8E94 E96E94-R117 HydrophobicContact CB-CB 4.38Å; E94-R117 PolarHBondContact O-N 2.91Å; E94-R117 VanDerWaalsContact OE2-CD 3.27Å; E94-R117 WeakPolarHBondContact OE2-CD 3.28Å; E94-R117 IonicContact OE2-CZ 3.09Å; E94-R117 IonicContact OE2-NE 3.02Å; E94-R117 IonicContact OE2-NH1 2.87Å; E94-R117 PolarHBondContact OE2-NH1 2.82Å; E96-R117 HydrophobicContact CG-CB 4.06Å
118E91.7Very high91.6Very high101 Ų10141.9 Ų41.947%0.47221%0.209SC..SBendtrans-119.3143.1-177.5-61.6-68.5162.400110.2E120 Q121 A122E118-E120 VanDerWaalsContact C-N 3.29Å; E118-E120 PolarHBondContact O-N 2.79Å; E118-Q121 HydrophobicContact CB-CG 4.07Å; E118-Q121 WeakPolarHBondContact O-CB 3.35Å; E118-Q121 PolarHBondContact O-N 3.26Å; E118-A122 PolarHBondContact O-N 3.44Å
119E91.5Very high91.8Very high100 Ų10042.2 Ų42.247%0.46721%0.211SC..Hα-helixtrans-66.6-30.8179.6-59.6-172157.300112.6I42 P44 Q121 A122 A123I42-E119 HydrophobicContact CG2-CB 3.91Å; I42-E119 HydrophobicContact CG2-CG 4.49Å; P44-E119 HydrophobicContact CB-CG 4.18Å; P44-E119 HydrophobicContact CG-CG 4.46Å; E119-Q121 VanDerWaalsContact C-N 3.28Å; E119-Q121 PolarHBondContact O-N 2.98Å; E119-A122 WeakPolarHBondContact O-CB 3.49Å; E119-A122 PolarHBondContact O-N 3.31Å; E119-A123 PolarHBondContact O-N 2.84Å
120E92.6Very high91.9Very high165 Ų16546 Ų4677%0.77123%0.228SC*.Hα-helixtrans-62.9-36.3176.8-63.9-177.8176.700111.9E118 A123 A124E118-E120 VanDerWaalsContact C-N 3.29Å; E118-E120 PolarHBondContact O-N 2.79Å; E120-A123 PolarHBondContact O-N 2.85Å; E120-A124 WeakPolarHBondContact O-CB 3.32Å; E120-A124 PolarHBondContact O-N 3.42Å
121Q93.4Very high91.8Very high48 Ų4848.7 Ų48.722%0.22426%0.256CS..Hα-helixtrans-68.6-41.2177.2-65.4174.4-5.600110.8G93 F116 E118 E119 A123 A124 A125G93-Q121 VanDerWaalsContact CA-OE1 3.31Å; F116-Q121 HydrophobicContact CB-CB 4.14Å; F116-Q121 HydrophobicContact CD1-CB 3.97Å; F116-Q121 HydrophobicContact CG-CB 4.17Å; E118-Q121 HydrophobicContact CB-CG 4.07Å; E118-Q121 WeakPolarHBondContact O-CB 3.35Å; E118-Q121 PolarHBondContact O-N 3.26Å; E119-Q121 VanDerWaalsContact C-N 3.28Å; E119-Q121 PolarHBondContact O-N 2.98Å; Q121-A123 VanDerWaalsContact C-N 3.33Å; Q121-A124 PolarHBondContact O-N 3.45Å; Q121-A125 WeakPolarHBondContact O-CB 3.33Å; Q121-A125 PolarHBondContact O-N 2.83Å
122A92.1Very high91.7Very high0 Ų052.9 Ų52.90%027%0.271CS..Hα-helixtrans-61.8-42.5173.400000111.1S43 L46 F116 E118 E119 A125 Y126S43-A122 VanDerWaalsContact O-CB 3.24Å; S43-A122 WeakPolarHBondContact O-CB 3.31Å; L46-A122 WeakPolarHBondContact CD1-O 3.41Å; L46-A122 HydrophobicContact CD2-CB 4.37Å; L46-A122 HydrophobicContact CG-CB 4.26Å; F116-A122 HydrophobicContact CB-CB 4.31Å; F116-A122 HydrophobicContact CD2-CB 3.68Å; F116-A122 HydrophobicContact CE2-CB 4.43Å; F116-A122 HydrophobicContact CG-CB 4.29Å; E118-A122 PolarHBondContact O-N 3.44Å; E119-A122 WeakPolarHBondContact O-CB 3.49Å; E119-A122 PolarHBondContact O-N 3.31Å; A122-A125 PolarHBondContact O-N 3.31Å; A122-Y126 WeakPolarHBondContact O-CB 3.36Å; A122-Y126 PolarHBondContact O-N 3.05Å
123A93.3Very high91.4Very high25 Ų2559.8 Ų59.821%0.20730%0.301CS..Hα-helixtrans-65-40176.700000112.9E119 E120 Q121 Y126 N127 Y143E119-A123 PolarHBondContact O-N 2.84Å; E120-A123 PolarHBondContact O-N 2.85Å; Q121-A123 VanDerWaalsContact C-N 3.33Å; A123-Y126 PolarHBondContact O-N 3.13Å; A123-N127 PolarHBondContact O-N 2.93Å; A123-N127 PolarHBondContact O-ND2 2.98Å; A123-Y143 WeakPolarHBondContact CA-OH 3.23Å
124A92.9Very high91Very high44 Ų4462.5 Ų62.536%0.36431%0.312SS..Hα-helixtrans-62.2-45.3173.900000111.6E120 Q121 A128E120-A124 WeakPolarHBondContact O-CB 3.32Å; E120-A124 PolarHBondContact O-N 3.42Å; Q121-A124 PolarHBondContact O-N 3.45Å; A124-A128 VanDerWaalsContact O-CB 3.28Å; A124-A128 WeakPolarHBondContact O-CB 3.34Å; A124-A128 PolarHBondContact O-N 3.14Å
125A92.5Very high90.5Very high0 Ų067.3 Ų67.30%035%0.345CS..Hα-helixtrans-63.7-43.3176.300000111.9L46 F92 F116 Q121 A122 N127 A128 L129L46-A125 HydrophobicContact CD1-CB 3.94Å; F92-A125 HydrophobicContact CB-CB 3.92Å; F92-A125 HydrophobicContact CD2-CB 3.93Å; F92-A125 HydrophobicContact CG-CB 3.94Å; F116-A125 HydrophobicContact CE2-CB 3.82Å; F116-A125 HydrophobicContact CZ-CB 3.61Å; Q121-A125 WeakPolarHBondContact O-CB 3.33Å; Q121-A125 PolarHBondContact O-N 2.83Å; A122-A125 PolarHBondContact O-N 3.31Å; A125-N127 PolarHBondContact O-N 2.89Å; A125-A128 PolarHBondContact O-N 3.28Å; A125-L129 VanDerWaalsContact O-CB 3.31Å; A125-L129 WeakPolarHBondContact O-CB 3.47Å; A125-L129 WeakPolarHBondContact O-CD1 3.45Å; A125-L129 WeakPolarHBondContact O-CG 3.43Å; A125-L129 PolarHBondContact O-N 3.21Å
126Y92.9Very high89.9Confident49 Ų4969.6 Ų69.619%0.19237%0.374CS..Hα-helixtrans-56.1-53.4177178.5-87.6000111.4L46 A122 A123 A128 L129 Q130 V141 Y143L46-Y126 HydrophobicContact CD2-CD2 4.24Å; A122-Y126 WeakPolarHBondContact O-CB 3.36Å; A122-Y126 PolarHBondContact O-N 3.05Å; A123-Y126 PolarHBondContact O-N 3.13Å; Y126-A128 VanDerWaalsContact C-N 3.3Å; Y126-A128 PolarHBondContact O-N 2.9Å; Y126-L129 PolarHBondContact O-N 3.4Å; Y126-Q130 WeakPolarHBondContact O-CB 3.43Å; Y126-Q130 PolarHBondContact O-N 2.75Å; Y126-V141 HydrophobicContact CD2-CB 4.2Å; Y126-V141 HydrophobicContact CD2-CG1 3.65Å; Y126-V141 HydrophobicContact CE2-CB 4.37Å; Y126-V141 HydrophobicContact CE2-CG1 4.22Å; Y126-V141 WeakPolarHBondContact CE2-O 3.23Å; Y126-V141 HydrophobicContact CG-CG1 4.46Å; Y126-Y143 HydrophobicContact CD1-CE2 4.05Å; Y126-Y143 HydrophobicContact CD2-CD2 4.07Å; Y126-Y143 HydrophobicContact CD2-CE1 4.41Å; Y126-Y143 AromaticContact CD2-CE2 3.73Å; Y126-Y143 HydrophobicContact CD2-CE2 3.73Å; Y126-Y143 AromaticContact CD2-CZ 3.92Å; Y126-Y143 HydrophobicContact CE1-CE2 4.22Å; Y126-Y143 HydrophobicContact CE2-CD2 4.05Å; Y126-Y143 AromaticContact CE2-CE2 3.93Å; Y126-Y143 HydrophobicContact CE2-CE2 3.93Å; Y126-Y143 HydrophobicContact CG-CE1 4.42Å; Y126-Y143 AromaticContact CG-CE2 3.82Å; Y126-Y143 HydrophobicContact CG-CE2 3.82Å; Y126-Y143 AromaticContact CG-CZ 3.71Å
127N92.4Very high89.5Confident109 Ų10973.9 Ų73.958%0.58339%0.391SS*.Hα-helixtrans-64.3-35.1-179.8-70.3-42.3000112.4A123 A125A123-N127 PolarHBondContact O-N 2.93Å; A123-N127 PolarHBondContact O-ND2 2.98Å; A125-N127 PolarHBondContact O-N 2.89Å
128A91Very high89.3Confident26 Ų2671 Ų7122%0.21539%0.39CS..Hα-helixtrans-74.9-34.3-179.500000113F92 A124 A125 Y126 R132F92-A128 HydrophobicContact CD1-CB 4.13Å; F92-A128 HydrophobicContact CE1-CB 3.22Å; F92-A128 HydrophobicContact CE2-CB 4.26Å; F92-A128 HydrophobicContact CZ-CB 3.3Å; A124-A128 VanDerWaalsContact O-CB 3.28Å; A124-A128 WeakPolarHBondContact O-CB 3.34Å; A124-A128 PolarHBondContact O-N 3.14Å; A125-A128 PolarHBondContact O-N 3.28Å; Y126-A128 VanDerWaalsContact C-N 3.3Å; Y126-A128 PolarHBondContact O-N 2.9Å; A128-R132 VanDerWaalsContact O-CD 3.23Å; A128-R132 WeakPolarHBondContact O-CD 3.42Å; A128-R132 WeakPolarHBondContact O-CG 3.46Å; A128-R132 PolarHBondContact O-NE 3.47Å
129L89.4Confident89.3Confident7 Ų767.2 Ų67.24%0.03737%0.373CS..Hα-helixtrans-83.3-26.8180-67.1169.1000112.5L48 L89 A125 Y126 G131 R132 I139 V141L48-L129 HydrophobicContact CD2-CD1 3.94Å; L89-L129 HydrophobicContact CD2-CD1 3.71Å; A125-L129 VanDerWaalsContact O-CB 3.31Å; A125-L129 WeakPolarHBondContact O-CB 3.47Å; A125-L129 WeakPolarHBondContact O-CD1 3.45Å; A125-L129 WeakPolarHBondContact O-CG 3.43Å; A125-L129 PolarHBondContact O-N 3.21Å; Y126-L129 PolarHBondContact O-N 3.4Å; L129-G131 PolarHBondContact O-N 3.2Å; L129-G131 VanDerWaalsContact O-N 3.17Å; L129-R132 WeakPolarHBondContact O-CB 3.23Å; L129-R132 PolarHBondContact O-N 3.47Å; L129-I139 HydrophobicContact CD2-CD1 4.45Å; L129-V141 HydrophobicContact CB-CG2 3.51Å; L129-V141 HydrophobicContact CD1-CG2 4.18Å; L129-V141 HydrophobicContact CG-CG2 4.49Å
130Q88.9Confident89.2Confident114 Ų11466.9 Ų66.953%0.53337%0.373SS..THydrogen-bonded Turntrans-60.7118.8178-169.5173.2-200110.6Y126Y126-Q130 WeakPolarHBondContact O-CB 3.43Å; Y126-Q130 PolarHBondContact O-N 2.75Å
131G85.3Confident89.2Confident58 Ų5859.6 Ų59.660%0.59834%0.34SS*.THydrogen-bonded Turntrans87.11.3-178.400000115.2L129L129-G131 PolarHBondContact O-N 3.2Å; L129-G131 VanDerWaalsContact O-N 3.17Å
132R89.5Confident89.1Confident101 Ų10160.6 Ų60.638%0.38134%0.344SS..  trans-78.5159.6170-69.1-168.3179.8-1690.7111.6E88 A128 L129 I139E88-R132 IonicContact OE1-CZ 3.81Å; E88-R132 IonicContact OE1-NH1 2.77Å; E88-R132 PolarHBondContact OE1-NH1 3.15Å; A128-R132 VanDerWaalsContact O-CD 3.23Å; A128-R132 WeakPolarHBondContact O-CD 3.42Å; A128-R132 WeakPolarHBondContact O-CG 3.46Å; A128-R132 PolarHBondContact O-NE 3.47Å; L129-R132 WeakPolarHBondContact O-CB 3.23Å; L129-R132 PolarHBondContact O-N 3.47Å; R132-I139 HydrophobicContact CB-CD1 3.87Å; R132-I139 PolarHBondContact O-N 3.13Å
133F87Confident89.2Confident145 Ų14562 Ų6264%0.63635%0.35SS*.EExtended strand (participates in β ladder)trans-116133.9176.6-65.1-97.1000110R137 P138F133-R137 CarbonylContact C-O 3.44Å; F133-R137 VanDerWaalsContact CA-O 3.22Å; F133-R137 WeakPolarHBondContact CA-O 3.42Å; F133-P138 HydrophobicContact CD1-CB 4.29Å; F133-P138 HydrophobicContact CE1-CB 4.04Å
134Y83.9Confident89Confident57 Ų5760.8 Ų60.822%0.22434%0.34CS..EExtended strand (participates in β ladder)trans-115.9122170.7-167.1-100.7000108.7M51 F81 D84 I85 G136 R137M51-Y134 HydrophobicContact CE-CD1 4.31Å; M51-Y134 HydrophobicContact CE-CD2 3.92Å; M51-Y134 HydrophobicContact CE-CG 3.79Å; F81-Y134 AromaticContact CD2-CE1 3.67Å; F81-Y134 HydrophobicContact CD2-CE1 3.67Å; F81-Y134 AromaticContact CD2-CZ 3.75Å; F81-Y134 WeakPolarHBondContact CD2-OH 3.36Å; F81-Y134 HydrophobicContact CE2-CD1 4.27Å; F81-Y134 AromaticContact CE2-CE1 3.55Å; F81-Y134 HydrophobicContact CE2-CE1 3.55Å; F81-Y134 AromaticContact CE2-CZ 3.88Å; D84-Y134 VanDerWaalsContact OD2-CE2 3.31Å; D84-Y134 WeakPolarHBondContact OD2-CE2 3.18Å; D84-Y134 PolarHBondContact OD2-OH 2.65Å; I85-Y134 HydrophobicContact CD1-CE2 4.38Å; Y134-G136 PolarHBondContact O-N 2.89Å; Y134-G136 VanDerWaalsContact O-N 3.12Å; Y134-R137 PolarHBondContact N-O 3.13Å; Y134-R137 PolarHBondContact O-N 3.3Å
135S82.2Confident88.8Confident100 Ų10059.6 Ų59.670%0.69933%0.329SS*.THydrogen-bonded Turntrans49.140.5-179.2-60.30000114R137S135-R137 VanDerWaalsContact C-N 3.33Å; S135-R137 PolarHBondContact O-N 2.84Å
136G80.6Confident88.6Confident70 Ų7059.7 Ų59.772%0.72233%0.329SS*.THydrogen-bonded Turntrans80.51.7179.300000115.8Y134Y134-G136 PolarHBondContact O-N 2.89Å; Y134-G136 VanDerWaalsContact O-N 3.12Å
137R84.3Confident88.2Confident93 Ų9361.3 Ų61.335%0.35135%0.345SS..EExtended strand (participates in β ladder)trans-111142.3176.6-65.4177.171-163.3-5.4111N50 F133 Y134 S135 I139N50-R137 PolarHBondContact ND2-NH2 2.81Å; F133-R137 CarbonylContact C-O 3.44Å; F133-R137 VanDerWaalsContact CA-O 3.22Å; F133-R137 WeakPolarHBondContact CA-O 3.42Å; Y134-R137 PolarHBondContact N-O 3.13Å; Y134-R137 PolarHBondContact O-N 3.3Å; S135-R137 VanDerWaalsContact C-N 3.33Å; S135-R137 PolarHBondContact O-N 2.84Å; R137-I139 PolarHBondContact O-N 3.19Å
138P89Confident87.9Confident80 Ų8060.8 Ų60.852%0.51934%0.342SS..EExtended strand (participates in β ladder)trans-64.8135.7174.628.2-33.9000110F133 I140F133-P138 HydrophobicContact CD1-CB 4.29Å; F133-P138 HydrophobicContact CE1-CB 4.04Å; P138-I140 PolarHBondContact O-N 3.33Å
139I90.4Very high87.6Confident21 Ų2160.3 Ų60.311%0.10834%0.335CS..  trans-78.2120.7174.5-54.3175.8000107.8L48 M51 L129 R132 R137 V141L48-I139 HydrophobicContact CD2-CG2 4.2Å; M51-I139 HydrophobicContact CE-CD1 3.78Å; M51-I139 HydrophobicContact CE-CG1 4.16Å; M51-I139 HydrophobicContact CE-CG2 4.27Å; L129-I139 HydrophobicContact CD2-CD1 4.45Å; R132-I139 HydrophobicContact CB-CD1 3.87Å; R132-I139 PolarHBondContact O-N 3.13Å; R137-I139 PolarHBondContact O-N 3.19Å; I139-V141 HydrophobicContact CG2-CG2 3.73Å
140I90.2Very high87.3Confident92 Ų9270.6 Ų70.647%0.47237%0.373SS..EExtended strand (participates in β ladder)trans-96.5109.8175-57.7173.7000107.5L48 A49 P138L48-I140 CarbonylContact C-O 3.49Å; L48-I140 WeakPolarHBondContact CA-O 3.39Å; A49-I140 HydrophobicContact CB-CB 4.29Å; A49-I140 HydrophobicContact CB-CG2 4.25Å; A49-I140 PolarHBondContact N-O 3.42Å; P138-I140 PolarHBondContact O-N 3.33Å
141V92.1Very high87Confident12 Ų1270.1 Ų70.17%0.07337%0.371CS..EExtended strand (participates in β ladder)trans-108.5131.2178-170.70000108.9L46 V47 L48 Y126 L129 I139L46-V141 HydrophobicContact CB-CG1 4.39Å; L46-V141 HydrophobicContact CD1-CG1 4.13Å; L46-V141 HydrophobicContact CD2-CG1 4.49Å; V47-V141 WeakPolarHBondContact O-CA 3.49Å; L48-V141 HydrophobicContact CD2-CB 3.93Å; L48-V141 HydrophobicContact CD2-CG1 3.69Å; L48-V141 HydrophobicContact CD2-CG2 3.31Å; Y126-V141 HydrophobicContact CD2-CB 4.2Å; Y126-V141 HydrophobicContact CD2-CG1 3.65Å; Y126-V141 HydrophobicContact CE2-CB 4.37Å; Y126-V141 HydrophobicContact CE2-CG1 4.22Å; Y126-V141 WeakPolarHBondContact CE2-O 3.23Å; Y126-V141 HydrophobicContact CG-CG1 4.46Å; L129-V141 HydrophobicContact CB-CG2 3.51Å; L129-V141 HydrophobicContact CD1-CG2 4.18Å; L129-V141 HydrophobicContact CG-CG2 4.49Å; I139-V141 HydrophobicContact CG2-CG2 3.73Å
142E91.8Very high87Confident69 Ų6967.4 Ų67.432%0.32234%0.343SS..EExtended strand (participates in β ladder)trans-132.1152.1172.1-61.8-167.5167.900110.2R39 V47R39-E142 IonicContact NH1-OE1 2.77Å; R39-E142 PolarHBondContact NH1-OE1 3.44Å; R39-E142 VanDerWaalsContact NH1-OE1 3.09Å; R39-E142 IonicContact NH1-OE2 2.82Å; R39-E142 PolarHBondContact NH1-OE2 3.13Å; V47-E142 HydrophobicContact CG1-CB 3.88Å; V47-E142 WeakPolarHBondContact CG1-O 3.37Å; V47-E142 PolarHBondContact N-O 3.09Å; V47-E142 PolarHBondContact O-N 3.48Å
143Y93Very high86.9Confident29 Ų2964.1 Ų64.111%0.11433%0.334CS..EExtended strand (participates in β ladder)trans-72.5136.9169.1-72.9-70.7000110.3P40 T41 S43 L46 A123 Y126P40-Y143 WeakPolarHBondContact O-CB 3.5Å; T41-Y143 WeakPolarHBondContact O-CE2 3.04Å; S43-Y143 WeakPolarHBondContact OG-CB 3.43Å; S43-Y143 WeakPolarHBondContact OG-CD1 3.22Å; L46-Y143 HydrophobicContact CD2-CD1 3.32Å; L46-Y143 HydrophobicContact CD2-CE1 3.51Å; L46-Y143 HydrophobicContact CD2-CG 4.15Å; A123-Y143 WeakPolarHBondContact CA-OH 3.23Å; Y126-Y143 HydrophobicContact CD1-CE2 4.05Å; Y126-Y143 HydrophobicContact CD2-CD2 4.07Å; Y126-Y143 HydrophobicContact CD2-CE1 4.41Å; Y126-Y143 AromaticContact CD2-CE2 3.73Å; Y126-Y143 HydrophobicContact CD2-CE2 3.73Å; Y126-Y143 AromaticContact CD2-CZ 3.92Å; Y126-Y143 HydrophobicContact CE1-CE2 4.22Å; Y126-Y143 HydrophobicContact CE2-CD2 4.05Å; Y126-Y143 AromaticContact CE2-CE2 3.93Å; Y126-Y143 HydrophobicContact CE2-CE2 3.93Å; Y126-Y143 HydrophobicContact CG-CE1 4.42Å; Y126-Y143 AromaticContact CG-CE2 3.82Å; Y126-Y143 HydrophobicContact CG-CE2 3.82Å; Y126-Y143 AromaticContact CG-CZ 3.71Å
144S90.6Very high87Confident1 Ų157.6 Ų57.61%0.00731%0.306CS..  trans-111.9133.1-176.3-163.30000110.8S43 T45 V146S43-S144 WeakPolarHBondContact CB-O 3.46Å; S43-S144 PolarHBondContact OG-N 2.85Å; S43-S144 PolarHBondContact OG-O 2.84Å; T45-S144 PolarHBondContact O-N 2.72Å; S144-V146 PolarHBondContact O-N 3.2Å; S144-V146 WeakPolarHBondContact OG-CG2 3.3Å
145P88.9Confident87.2Confident19 Ų1963.8 Ų63.812%0.12333%0.329CS..  trans-73.1-0.7175.432.7-37.3000113.4Y21 P40 T147Y21-P145 HydrophobicContact CD1-CG 4.18Å; Y21-P145 HydrophobicContact CE1-CG 3.89Å; Y21-P145 VanDerWaalsContact O-CG 3.27Å; Y21-P145 WeakPolarHBondContact O-CG 3.29Å; P40-P145 HydrophobicContact CG-CB 4.32Å; P145-T147 PolarHBondContact O-N 3.24Å
146V88.1Confident87.4Confident1 Ų162.6 Ų62.61%0.00631%0.312CS..  trans-70112.9-174.3-178.70000110.4I24 T45 Y113 S144 F149I24-V146 WeakPolarHBondContact O-CG2 3.3Å; T45-V146 WeakPolarHBondContact CB-O 3.5Å; T45-V146 HydrophobicContact CG2-CB 4.4Å; T45-V146 PolarHBondContact OG1-O 3.47Å; Y113-V146 HydrophobicContact CE1-CG2 4.27Å; S144-V146 PolarHBondContact O-N 3.2Å; S144-V146 WeakPolarHBondContact OG-CG2 3.3Å; V146-F149 HydrophobicContact CG1-CD1 4Å; V146-F149 HydrophobicContact CG1-CE1 3.91Å; V146-F149 HydrophobicContact CG1-CZ 4.46Å
147T84.8Confident87.6Confident84 Ų8461.7 Ų61.752%0.51529%0.289SS..  trans-92.3-39.1171.154.50000111.7Q115 P145Q115-T147 PolarHBondContact NE2-O 2.75Å; Q115-T147 VanDerWaalsContact NE2-O 3.15Å; P145-T147 PolarHBondContact O-N 3.24Å
148D85.2Confident87.6Confident97 Ų9763.3 Ų63.352%0.51930%0.3SS..  trans-122.7100.5-168.2-66.4-71.3000112.3R150 E151D148-R150 PolarHBondContact O-N 3.33Å; D148-E151 PolarHBondContact O-N 2.84Å
149F84.9Confident87.3Confident17 Ų1766.3 Ų66.38%0.07531%0.307CS..Hα-helixtrans-62.6-28.8177.2-66.4-70.4000113.4T45 N97 N99 Y113 Q115 V146 E151 A152 T153 M171T45-F149 HydrophobicContact CG2-CZ 3.85Å; N97-F149 HydrophobicContact CB-CD2 3.85Å; N97-F149 HydrophobicContact CB-CE2 3.67Å; N99-F149 WeakPolarHBondContact ND2-CD1 3.35Å; N99-F149 WeakPolarHBondContact ND2-CG 3.34Å; Y113-F149 HydrophobicContact CD1-CE1 4.35Å; Y113-F149 HydrophobicContact CG-CE1 4.16Å; Q115-F149 HydrophobicContact CB-CE2 3.65Å; Q115-F149 HydrophobicContact CB-CZ 4.04Å; Q115-F149 HydrophobicContact CG-CE2 4.36Å; V146-F149 HydrophobicContact CG1-CD1 4Å; V146-F149 HydrophobicContact CG1-CE1 3.91Å; V146-F149 HydrophobicContact CG1-CZ 4.46Å; F149-E151 VanDerWaalsContact C-N 3.28Å; F149-E151 PolarHBondContact O-N 2.78Å; F149-A152 PolarHBondContact O-N 3.23Å; F149-T153 WeakPolarHBondContact O-CG2 3.36Å; F149-T153 PolarHBondContact O-N 2.79Å; F149-T153 PolarHBondContact O-OG1 3.49Å; F149-M171 HydrophobicContact CD1-CE 3.75Å; F149-M171 HydrophobicContact CE1-CE 4.45Å
150R83.5Confident86.7Confident223 Ų22372.1 Ų72.184%0.84234%0.339SS*.Hα-helixtrans-61-34-179.1-69.7-177.4171-164.9-1.9113.6D148 T153D148-R150 PolarHBondContact O-N 3.33Å; R150-T153 PolarHBondContact O-OG1 2.84Å
151E82.1Confident86.4Confident104 Ų10470.1 Ų70.149%0.48633%0.333SS..Hα-helixtrans-81.7-24.6176.5-66.1-153.8167.900112.5K23 D148 F149K23-E151 IonicContact NZ-OE2 3.99Å; K23-E151 PolarHBondContact NZ-OE2 3.08Å; D148-E151 PolarHBondContact O-N 2.84Å; F149-E151 VanDerWaalsContact C-N 3.28Å; F149-E151 PolarHBondContact O-N 2.78Å
152A84.7Confident86.1Confident0 Ų070.7 Ų70.70%034%0.337CS..Hα-helixtrans-88.7-23.4-174.500000112.5K23 I24 F149 M171K23-A152 VanDerWaalsContact O-CB 3.28Å; K23-A152 WeakPolarHBondContact O-CB 3.26Å; I24-A152 HydrophobicContact CG1-CB 4.16Å; F149-A152 PolarHBondContact O-N 3.23Å; A152-M171 HydrophobicContact CB-CE 3.16Å; A152-M171 HydrophobicContact CB-SD 4.4Å; A152-M171 PolarHBondContact O-N 3.2Å
153T87.6Confident85.7Confident32 Ų3274.9 Ų74.920%0.19636%0.362CS..BIsolated β-bridgetrans-73.4142175.151.60000113.3F149 R150 R155 M171 V173F149-T153 WeakPolarHBondContact O-CG2 3.36Å; F149-T153 PolarHBondContact O-N 2.79Å; F149-T153 PolarHBondContact O-OG1 3.49Å; R150-T153 PolarHBondContact O-OG1 2.84Å; T153-R155 PolarHBondContact O-N 3.31Å; T153-M171 WeakPolarHBondContact CA-O 3.36Å; T153-V173 HydrophobicContact CG2-CB 4.49Å; T153-V173 HydrophobicContact CG2-CG2 3.52Å
154C89.1Confident85.1Confident8 Ų879 Ų795%0.05438%0.377CS..  trans-76.7109.5174.6-171.90000110.9Q156 F157 E158 F170 M171C154-Q156 VanDerWaalsContact C-N 3.26Å; C154-Q156 PolarHBondContact O-N 3.18Å; C154-F157 HydrophobicContact CB-CB 3.73Å; C154-F157 WeakPolarHBondContact O-CB 3.42Å; C154-F157 PolarHBondContact O-N 2.92Å; C154-E158 PolarHBondContact O-N 3.17Å; C154-F170 HydrophobicContact CB-CB 3.6Å; C154-M171 PolarHBondContact N-O 3.18Å
155R87.3Confident84.7Confident188 Ų18880.4 Ų80.471%0.70939%0.392SS*.Hα-helixtrans-57.5-37.7176.2-62.3-176.2-175171.61.3113.1T153 F157 E158 E159T153-R155 PolarHBondContact O-N 3.31Å; R155-F157 VanDerWaalsContact C-N 3.26Å; R155-F157 PolarHBondContact O-N 2.89Å; R155-E158 WeakPolarHBondContact O-CB 3.41Å; R155-E158 PolarHBondContact O-N 2.95Å; R155-E159 WeakPolarHBondContact O-CG 3.1Å; R155-E159 PolarHBondContact O-N 3.32Å; R155-E159 VanDerWaalsContact O-N 3.07Å
156Q87Confident84.3Confident74 Ų7481 Ų8135%0.34640%0.401SS..Hα-helixtrans-66.6-30.2176.6-60.3-176.7-51.400111.9C154 E159 N160 S161 C162 R164C154-Q156 VanDerWaalsContact C-N 3.26Å; C154-Q156 PolarHBondContact O-N 3.18Å; Q156-E159 CarbonylContact O-C 3.5Å; Q156-N160 PolarHBondContact O-N 3.43Å; Q156-S161 CarbonylContact O-C 3.46Å; Q156-S161 WeakPolarHBondContact O-CA 3.49Å; Q156-S161 PolarHBondContact O-N 2.85Å; Q156-S161 PolarHBondContact O-OG 3.3Å; Q156-C162 HydrophobicContact CB-CB 4.07Å; Q156-C162 PolarHBondContact O-N 2.93Å; Q156-R164 VanDerWaalsContact OE1-NE 3.16Å
157F85.2Confident84.1Confident51 Ų5190.8 Ų90.822%0.22444%0.439CS..Hα-helixtrans-76.4-36.2175.9-172.7-98.7000111.4C154 R155 E159 N160 C162 H172 V173C154-F157 HydrophobicContact CB-CB 3.73Å; C154-F157 WeakPolarHBondContact O-CB 3.42Å; C154-F157 PolarHBondContact O-N 2.92Å; R155-F157 VanDerWaalsContact C-N 3.26Å; R155-F157 PolarHBondContact O-N 2.89Å; F157-E159 PolarHBondContact O-N 3.12Å; F157-N160 WeakPolarHBondContact O-CA 3.48Å; F157-N160 PolarHBondContact O-N 3.39Å; F157-C162 HydrophobicContact CB-CB 4.02Å; F157-C162 HydrophobicContact CD2-CB 4.26Å; F157-H172 HydrophobicContact CD1-CB 3.73Å; F157-H172 HydrophobicContact CD2-CB 3.85Å; F157-H172 AromaticContact CD2-CD2 3.83Å; F157-H172 AromaticContact CD2-CE1 3.69Å; F157-H172 AromaticContact CD2-CG 3.42Å; F157-H172 VanDerWaalsContact CD2-CG 3.42Å; F157-H172 AromaticContact CD2-ND1 3.33Å; F157-H172 VanDerWaalsContact CD2-ND1 3.33Å; F157-H172 WeakPolarHBondContact CD2-ND1 3.45Å; F157-H172 AromaticContact CD2-NE2 3.99Å; F157-H172 HydrophobicContact CE1-CB 3.77Å; F157-H172 HydrophobicContact CE2-CB 3.88Å; F157-H172 AromaticContact CE2-CG 3.83Å; F157-H172 AromaticContact CE2-ND1 3.62Å; F157-H172 HydrophobicContact CG-CB 3.76Å; F157-H172 AromaticContact CG-CD2 3.66Å; F157-H172 AromaticContact CG-CG 3.53Å; F157-H172 AromaticContact CG-ND1 3.94Å; F157-H172 HydrophobicContact CZ-CB 3.84Å; F157-V173 WeakPolarHBondContact CE1-O 3.38Å
158E83.3Confident84.3Confident127 Ų12786.8 Ų86.859%0.59342%0.415SS*.Hα-helixtrans-59.3-35171.3-169.9175.6-174.600111.7C154 R155 N160C154-E158 PolarHBondContact O-N 3.17Å; R155-E158 WeakPolarHBondContact O-CB 3.41Å; R155-E158 PolarHBondContact O-N 2.95Å; E158-N160 VanDerWaalsContact C-N 3.27Å; E158-N160 PolarHBondContact O-N 2.91Å
159E83.9Confident84.4Confident143 Ų14383.5 Ų83.567%0.66840%0.397SS*.THydrogen-bonded Turntrans-82.84.8172.8-66.4174.6179.100113.8R155 Q156 F157 S161R155-E159 WeakPolarHBondContact O-CG 3.1Å; R155-E159 PolarHBondContact O-N 3.32Å; R155-E159 VanDerWaalsContact O-N 3.07Å; Q156-E159 CarbonylContact O-C 3.5Å; F157-E159 PolarHBondContact O-N 3.12Å; E159-S161 PolarHBondContact O-N 3.25Å
160N78.1Confident84.5Confident143 Ų14385.7 Ų85.777%0.76541%0.407SS*.THydrogen-bonded Turntrans55.827.2-176.1-59.5-55.4000114.9Q156 F157 E158Q156-N160 PolarHBondContact O-N 3.43Å; F157-N160 WeakPolarHBondContact O-CA 3.48Å; F157-N160 PolarHBondContact O-N 3.39Å; E158-N160 VanDerWaalsContact C-N 3.27Å; E158-N160 PolarHBondContact O-N 2.91Å
161S83.6Confident84.7Confident51 Ų5175.1 Ų75.136%0.35737%0.367SS..  trans-121.317.9-174.276.80000113.7Q156 E159 N163Q156-S161 CarbonylContact O-C 3.46Å; Q156-S161 WeakPolarHBondContact O-CA 3.49Å; Q156-S161 PolarHBondContact O-N 2.85Å; Q156-S161 PolarHBondContact O-OG 3.3Å; E159-S161 PolarHBondContact O-N 3.25Å; S161-N163 PolarHBondContact O-N 3.05Å; S161-N163 VanDerWaalsContact O-N 3.08Å
162C85.6Confident85.1Confident23 Ų2370.7 Ų70.716%0.15535%0.346CS..  trans-76.998.3-178.3-170.70000111.9Q156 F157 R164 H172Q156-C162 HydrophobicContact CB-CB 4.07Å; Q156-C162 PolarHBondContact O-N 2.93Å; F157-C162 HydrophobicContact CB-CB 4.02Å; F157-C162 HydrophobicContact CD2-CB 4.26Å; C162-R164 VanDerWaalsContact C-N 3.26Å; C162-R164 PolarHBondContact O-N 3.17Å; C162-H172 VanDerWaalsContact SG-CE1 3.52Å; C162-H172 PolarHBondContact SG-NE2 3.17Å
163N82.9Confident85.2Confident158 Ų15872.1 Ų72.185%0.84536%0.355SS*.THydrogen-bonded Turntrans-858.5177.3-61.2-29.8000113.8S161 G165S161-N163 PolarHBondContact O-N 3.05Å; S161-N163 VanDerWaalsContact O-N 3.08Å; N163-G165 VanDerWaalsContact C-N 3.35Å
164R81.8Confident85Confident116 Ų11671.9 Ų71.944%0.43835%0.351SS..THydrogen-bonded Turntrans-80.8-15.8-177.6-58.8-177.3-165.7-154.4-0.1113Q156 C162 G166 Y167 C168Q156-R164 VanDerWaalsContact OE1-NE 3.16Å; C162-R164 VanDerWaalsContact C-N 3.26Å; C162-R164 PolarHBondContact O-N 3.17Å; R164-G166 PolarHBondContact O-N 2.96Å; R164-Y167 WeakPolarHBondContact O-CB 3.21Å; R164-Y167 PolarHBondContact O-N 3.25Å; R164-C168 HydrophobicContact CB-CB 3.88Å
165G80.2Confident84.5Confident30 Ų3077.9 Ų77.931%0.30938%0.378SS..G310 helixtrans51-128.7-179.300000112.4N163 Y167 C168N163-G165 VanDerWaalsContact C-N 3.35Å; G165-Y167 PolarHBondContact O-N 3.22Å; G165-C168 PolarHBondContact O-N 3.09Å
166G81Confident84.2Confident31 Ų3170.3 Ų70.332%0.3235%0.352SS..G310 helixtrans-69.8-6.6176.400000115.7A105 R164A105-G166 WeakPolarHBondContact CB-O 3.36Å; R164-G166 PolarHBondContact O-N 2.96Å
167Y84.6Confident83.2Confident207 Ų20767.8 Ų67.881%0.81235%0.345SS*.G310 helixtrans-91.8-0.5175.3-56.8-75.6000113.1R164 G165 N169R164-Y167 WeakPolarHBondContact O-CB 3.21Å; R164-Y167 PolarHBondContact O-N 3.25Å; G165-Y167 PolarHBondContact O-N 3.22Å; Y167-N169 PolarHBondContact O-N 3.07Å
168C88.6Confident82.3Confident0 Ų075.5 Ų75.50%037%0.373CS..  trans-72.6119.3175.7-1610000110.7R164 G165 F170 H172R164-C168 HydrophobicContact CB-CB 3.88Å; G165-C168 PolarHBondContact O-N 3.09Å; C168-F170 VanDerWaalsContact C-N 3.34Å; C168-H172 WeakPolarHBondContact CB-NE2 3.39Å; C168-H172 PolarHBondContact SG-NE2 2.92Å
169N87Confident81.4Confident27 Ų2774.2 Ų74.214%0.14437%0.37CS..  trans-89.50.6175-52.5-70.5000112.4F20 I24 M108 Y167F20-N169 HydrophobicContact CD1-CB 3.99Å; F20-N169 HydrophobicContact CE1-CB 3.96Å; I24-N169 WeakPolarHBondContact CD1-O 3.22Å; M108-N169 VanDerWaalsContact CE-C 3.49Å; M108-N169 WeakPolarHBondContact CE-O 3.4Å; Y167-N169 PolarHBondContact O-N 3.07Å
170F87.4Confident80.7Confident63 Ų6367.9 Ų67.928%0.27634%0.341SS..SBendtrans-103150.5177.5-67.5-85.1000110.4I24 N103 M108 C154 C168 H172I24-F170 HydrophobicContact CD1-CD1 4.44Å; N103-F170 PolarHBondContact ND2-O 3.25Å; M108-F170 VanDerWaalsContact CE-O 3.22Å; M108-F170 WeakPolarHBondContact CE-O 3.42Å; C154-F170 HydrophobicContact CB-CB 3.6Å; C168-F170 VanDerWaalsContact C-N 3.34Å; F170-H172 PolarHBondContact O-CD2 2.66Å; F170-H172 PolarHBondContact O-N 2.91Å
171M88.5Confident80.3Confident1 Ų168.9 Ų68.91%0.00533%0.334CS..BIsolated β-bridgetrans-68.5122.4-174.7-62.8-172.3-60.200110.9I24 M108 Y113 F149 A152 T153 C154 V173I24-M171 HydrophobicContact CG2-CG 3.86Å; I24-M171 HydrophobicContact CG2-SD 4.4Å; M108-M171 HydrophobicContact CE-CG 4.44Å; M108-M171 HydrophobicContact SD-CG 4.23Å; Y113-M171 HydrophobicContact CD1-SD 4.46Å; Y113-M171 HydrophobicContact CD2-SD 3.69Å; Y113-M171 HydrophobicContact CE1-SD 4.2Å; Y113-M171 HydrophobicContact CE2-CG 4.45Å; Y113-M171 HydrophobicContact CE2-SD 3.42Å; Y113-M171 WeakPolarHBondContact CE2-SD 3.47Å; Y113-M171 HydrophobicContact CG-SD 4.21Å; F149-M171 HydrophobicContact CD1-CE 3.75Å; F149-M171 HydrophobicContact CE1-CE 4.45Å; A152-M171 HydrophobicContact CB-CE 3.16Å; A152-M171 HydrophobicContact CB-SD 4.4Å; A152-M171 PolarHBondContact O-N 3.2Å; T153-M171 WeakPolarHBondContact CA-O 3.36Å; C154-M171 PolarHBondContact N-O 3.18Å; M171-V173 HydrophobicContact CB-CG2 4.21Å; M171-V173 PolarHBondContact O-N 3.12Å
172H89.5Confident79.6Confident11 Ų1174 Ų745%0.05135%0.345CS..  trans-88.490.8169.2-72.4-170.9000107.4C101 D102 N103 F157 C162 C168 F170 K174C101-H172 WeakPolarHBondContact CA-O 3.31Å; D102-H172 PolarHBondContact N-O 3.37Å; N103-H172 PolarHBondContact OD1-N 3.03Å; F157-H172 HydrophobicContact CD1-CB 3.73Å; F157-H172 HydrophobicContact CD2-CB 3.85Å; F157-H172 AromaticContact CD2-CD2 3.83Å; F157-H172 AromaticContact CD2-CE1 3.69Å; F157-H172 AromaticContact CD2-CG 3.42Å; F157-H172 VanDerWaalsContact CD2-CG 3.42Å; F157-H172 AromaticContact CD2-ND1 3.33Å; F157-H172 VanDerWaalsContact CD2-ND1 3.33Å; F157-H172 WeakPolarHBondContact CD2-ND1 3.45Å; F157-H172 AromaticContact CD2-NE2 3.99Å; F157-H172 HydrophobicContact CE1-CB 3.77Å; F157-H172 HydrophobicContact CE2-CB 3.88Å; F157-H172 AromaticContact CE2-CG 3.83Å; F157-H172 AromaticContact CE2-ND1 3.62Å; F157-H172 HydrophobicContact CG-CB 3.76Å; F157-H172 AromaticContact CG-CD2 3.66Å; F157-H172 AromaticContact CG-CG 3.53Å; F157-H172 AromaticContact CG-ND1 3.94Å; F157-H172 HydrophobicContact CZ-CB 3.84Å; C162-H172 VanDerWaalsContact SG-CE1 3.52Å; C162-H172 PolarHBondContact SG-NE2 3.17Å; C168-H172 WeakPolarHBondContact CB-NE2 3.39Å; C168-H172 PolarHBondContact SG-NE2 2.92Å; F170-H172 PolarHBondContact O-CD2 2.66Å; F170-H172 PolarHBondContact O-N 2.91Å; H172-K174 PolarHBondContact O-N 2.93Å
173V87.9Confident78.6Confident30 Ų3079.3 Ų79.318%0.18237%0.366CS..BIsolated β-bridgetrans-79.3118.2-176.5-179.40000109.3N99 V100 T153 F157 M171 Q175N99-V173 HydrophobicContact CB-CG1 4.15Å; N99-V173 HydrophobicContact CB-CG2 4.26Å; V100-V173 WeakPolarHBondContact O-CA 3.49Å; T153-V173 HydrophobicContact CG2-CB 4.49Å; T153-V173 HydrophobicContact CG2-CG2 3.52Å; F157-V173 WeakPolarHBondContact CE1-O 3.38Å; M171-V173 HydrophobicContact CB-CG2 4.21Å; M171-V173 PolarHBondContact O-N 3.12Å; V173-Q175 PolarHBondContact O-N 2.99Å
174K83.6Confident77.8Confident27 Ų2772.8 Ų72.812%0.11733%0.331CS..PPolyproline II helixtrans-72.8122.3173.7-171.5165173.4-179.20109.2Y52 F78 V100 D102 H172Y52-K174 PolarHBondContact OH-NZ 3.02Å; F78-K174 HydrophobicContact CB-CD 4.5Å; F78-K174 HydrophobicContact CD1-CD 3.95Å; F78-K174 HydrophobicContact CD1-CG 4.06Å; F78-K174 HydrophobicContact CD2-CD 3.69Å; F78-K174 HydrophobicContact CD2-CG 4.35Å; F78-K174 HydrophobicContact CE1-CB 4.14Å; F78-K174 HydrophobicContact CE1-CD 4.04Å; F78-K174 HydrophobicContact CE1-CG 3.71Å; F78-K174 HydrophobicContact CE2-CB 3.96Å; F78-K174 HydrophobicContact CE2-CD 3.76Å; F78-K174 HydrophobicContact CE2-CG 4.01Å; F78-K174 HydrophobicContact CG-CD 3.76Å; F78-K174 HydrophobicContact CG-CG 4.36Å; F78-K174 HydrophobicContact CZ-CB 3.63Å; F78-K174 HydrophobicContact CZ-CD 3.94Å; F78-K174 HydrophobicContact CZ-CG 3.68Å; V100-K174 PolarHBondContact O-N 2.96Å; D102-K174 HydrophobicContact CB-CB 4.08Å; H172-K174 PolarHBondContact O-N 2.93Å
175Q78.7Confident77Confident134 Ų13470.7 Ų70.763%0.62632%0.324SS*.PPolyproline II helixtrans-78136178.3-63.3-170.747.800110.3V173V173-Q175 PolarHBondContact O-N 2.99Å
176I79.1Confident75.9Confident29 Ų2970.1 Ų70.115%0.14932%0.317CS..PPolyproline II helixtrans-80.8152.1173.5-41.7135.2000108.2F78 E79 Y82 R178 L180F78-I176 HydrophobicContact CE1-CG1 4.03Å; E79-I176 HydrophobicContact CG-CG2 4.11Å; Y82-I176 HydrophobicContact CD1-CD1 3.78Å; Y82-I176 HydrophobicContact CD1-CG1 4.04Å; Y82-I176 HydrophobicContact CD2-CD1 3.87Å; Y82-I176 HydrophobicContact CD2-CG1 3.71Å; Y82-I176 HydrophobicContact CE1-CD1 3.31Å; Y82-I176 HydrophobicContact CE1-CG1 4.08Å; Y82-I176 HydrophobicContact CE2-CD1 3.41Å; Y82-I176 VanDerWaalsContact CE2-CD1 3.41Å; Y82-I176 HydrophobicContact CE2-CG1 3.74Å; Y82-I176 HydrophobicContact CG-CD1 4.04Å; Y82-I176 HydrophobicContact CG-CG1 3.87Å; Y82-I176 WeakPolarHBondContact OH-CD1 3.17Å; I176-R178 PolarHBondContact O-N 3.38Å; I176-L180 HydrophobicContact CG2-CB 3.5Å; I176-L180 HydrophobicContact CG2-CD1 3.68Å; I176-L180 HydrophobicContact CG2-CG 4.28Å
177G67.9Low74.4Confident21 Ų2177.4 Ų77.422%0.21634%0.335CS..PPolyproline II helixtrans-48.2139.7169.100000112.1E79 D179 L180 R181E79-G177 WeakPolarHBondContact OE1-CA 3.44Å; E79-G177 PolarHBondContact OE1-N 2.95Å; G177-D179 PolarHBondContact O-N 3.2Å; G177-L180 PolarHBondContact O-N 2.83Å; G177-L180 VanDerWaalsContact O-N 3.08Å; G177-R181 PolarHBondContact O-N 3.03Å; G177-R181 VanDerWaalsContact O-N 3.13Å
178R66.2Low72.7Confident214 Ų21471.1 Ų71.181%0.80832%0.321SS*.Hα-helixtrans-54.4-30.7-178.9-68.4-176177.2-142.9-0.9112.2I176 R182I176-R178 PolarHBondContact O-N 3.38Å; R178-R182 WeakPolarHBondContact O-CB 3.49Å; R178-R182 PolarHBondContact O-N 3.26Å
179D64.3Low70.8Confident99 Ų9973.2 Ų73.253%0.52934%0.339SS..Hα-helixtrans-72.2-38.6-179.1-62.7-59.7000112.8G177 R182 K183G177-D179 PolarHBondContact O-N 3.2Å; D179-R182 CarbonylContact O-C 3.43Å; D179-R182 PolarHBondContact O-N 3.48Å; D179-R182 IonicContact OD1-CZ 3.99Å; D179-R182 IonicContact OD1-NH1 3.84Å; D179-R182 PolarHBondContact OD1-NH1 2.86Å; D179-K183 VanDerWaalsContact O-CG 3.3Å; D179-K183 WeakPolarHBondContact O-CG 3.31Å; D179-K183 PolarHBondContact O-N 2.88Å
180L67.5Low68.9Low10 Ų1075.4 Ų75.45%0.05236%0.356CS..Hα-helixtrans-71.7-40.9173.8-80165.3000112.1E79 I176 G177 R182 K183 L184E79-L180 HydrophobicContact CB-CD1 3.29Å; E79-L180 HydrophobicContact CG-CD1 3.21Å; E79-L180 WeakPolarHBondContact OE2-CD1 3.43Å; I176-L180 HydrophobicContact CG2-CB 3.5Å; I176-L180 HydrophobicContact CG2-CD1 3.68Å; I176-L180 HydrophobicContact CG2-CG 4.28Å; G177-L180 PolarHBondContact O-N 2.83Å; G177-L180 VanDerWaalsContact O-N 3.08Å; L180-R182 PolarHBondContact O-N 3.32Å; L180-K183 HydrophobicContact CD2-CD 4.21Å; L180-K183 PolarHBondContact O-N 3.05Å; L180-L184 WeakPolarHBondContact O-CB 3.43Å; L180-L184 WeakPolarHBondContact O-CG 3.29Å; L180-L184 PolarHBondContact O-N 3.48Å
181R70.9Confident67Low165 Ų16581 Ų8162%0.62338%0.376SS*.Hα-helixtrans-56.2-38.8171.4-171176.6176.5-178.40.5111G177 Y185G177-R181 PolarHBondContact O-N 3.03Å; G177-R181 VanDerWaalsContact O-N 3.13Å; R181-Y185 HydrophobicContact CG-CD2 4.15Å; R181-Y185 WeakPolarHBondContact O-CB 3.28Å; R181-Y185 PolarHBondContact O-N 3.38Å; R181-Y185 VanDerWaalsContact O-N 3.09Å
182R68.3Low65.2Low158 Ų15890.2 Ų90.260%0.59641%0.41SS*.Hα-helixtrans-72.4-34.5174.8-164.9-174.2-61.7123.80.6112.9R178 D179 L180 G186R178-R182 WeakPolarHBondContact O-CB 3.49Å; R178-R182 PolarHBondContact O-N 3.26Å; D179-R182 CarbonylContact O-C 3.43Å; D179-R182 PolarHBondContact O-N 3.48Å; D179-R182 IonicContact OD1-CZ 3.99Å; D179-R182 IonicContact OD1-NH1 3.84Å; D179-R182 PolarHBondContact OD1-NH1 2.86Å; L180-R182 PolarHBondContact O-N 3.32Å; R182-G186 CarbonylContact O-C 3.58Å; R182-G186 WeakPolarHBondContact O-CA 2.86Å; R182-G186 PolarHBondContact O-N 3.23Å
183K64.7Low63.2Low134 Ų13498.5 Ų98.558%0.58344%0.443SS*.Hα-helixtrans-69.8-49176.6-76.4171.3-178.7176.70111.6D179 L180D179-K183 VanDerWaalsContact O-CG 3.3Å; D179-K183 WeakPolarHBondContact O-CG 3.31Å; D179-K183 PolarHBondContact O-N 2.88Å; L180-K183 HydrophobicContact CD2-CD 4.21Å; L180-K183 PolarHBondContact O-N 3.05Å
184L66.5Low61.2Low22 Ų22104 Ų10412%0.11547%0.466CS..Hα-helixtrans-73.2-53.5-174.2-62175.1000111.5Y82 Y86 L180Y82-L184 HydrophobicContact CD1-CD1 3.68Å; Y82-L184 HydrophobicContact CE1-CD1 3.67Å; Y86-L184 HydrophobicContact CD1-CB 4.34Å; Y86-L184 HydrophobicContact CD1-CD1 4.41Å; Y86-L184 HydrophobicContact CD1-CD2 3.74Å; Y86-L184 HydrophobicContact CD1-CG 4.38Å; Y86-L184 HydrophobicContact CE1-CB 4.08Å; Y86-L184 HydrophobicContact CE1-CD2 4.11Å; Y86-L184 HydrophobicContact CG-CD1 4.25Å; Y86-L184 HydrophobicContact CG-CD2 4.35Å; L180-L184 WeakPolarHBondContact O-CB 3.43Å; L180-L184 WeakPolarHBondContact O-CG 3.29Å; L180-L184 PolarHBondContact O-N 3.48Å
185Y65.7Low59.5Low72 Ų72106.6 Ų106.628%0.28249%0.493SS..THydrogen-bonded Turntrans-90-26.8-179-64.3-81.9000113.2Y86 R181Y86-Y185 HydrophobicContact CE2-CE1 4.03Å; Y86-Y185 HydrophobicContact CE2-CE2 4.29Å; Y86-Y185 AromaticContact CE2-CZ 3.76Å; R181-Y185 HydrophobicContact CG-CD2 4.15Å; R181-Y185 WeakPolarHBondContact O-CB 3.28Å; R181-Y185 PolarHBondContact O-N 3.38Å; R181-Y185 VanDerWaalsContact O-N 3.09Å
186G56.2Low57.9Low17 Ų17111.4 Ų111.418%0.17551%0.505CS..THydrogen-bonded Turntrans-83.4-8.3-177.300000114.9R182 S188 A189 S190R182-G186 CarbonylContact O-C 3.58Å; R182-G186 WeakPolarHBondContact O-CA 2.86Å; R182-G186 PolarHBondContact O-N 3.23Å; G186-S188 PolarHBondContact O-N 2.91Å; G186-A189 PolarHBondContact O-N 2.9Å; G186-A189 VanDerWaalsContact O-N 3.07Å; G186-S190 PolarHBondContact O-N 2.97Å
187R50.5Low56.2Low184 Ų184114.1 Ų114.169%0.69453%0.526SS*.Hα-helixtrans-65.3-21.1171-132.5175.9-174.1-169.83112.7
188S48.5Very low55.1Low75 Ų75124.3 Ų124.352%0.52456%0.559SS.*Hα-helixtrans-79.8-26.8172.5-60.30000112.8G186G186-S188 PolarHBondContact O-N 2.91Å
189A47.7Very low53.9Low45 Ų45119.3 Ų119.337%0.37256%0.556SS.*Hα-helixtrans-87.2-42.317700000112.4G186 R191 R192 Y193G186-A189 PolarHBondContact O-N 2.9Å; G186-A189 VanDerWaalsContact O-N 3.07Å; A189-R191 VanDerWaalsContact C-N 3.33Å; A189-R191 PolarHBondContact O-N 2.96Å; A189-R192 PolarHBondContact O-N 3.09Å; A189-Y193 HydrophobicContact CB-CE2 4.43Å; A189-Y193 WeakPolarHBondContact O-CD2 3Å; A189-Y193 PolarHBondContact O-N 2.82Å
190S47.9Very low53.4Low72 Ų72119.7 Ų119.750%0.50356%0.564SS.*Hα-helixtrans-68.3-28.9-173.9-167.50000113.5G186 R192 Y193 H194G186-S190 PolarHBondContact O-N 2.97Å; S190-R192 VanDerWaalsContact C-N 3.28Å; S190-R192 PolarHBondContact O-N 3.09Å; S190-Y193 PolarHBondContact O-N 2.95Å; S190-H194 PolarHBondContact O-N 3.19Å
191R48.1Very low52.6Low182 Ų182124.4 Ų124.469%0.68760%0.595SS**Hα-helixtrans-68.1-24.8172-80.4-168.3-86-178.7-5.8113.5A189 A195A189-R191 VanDerWaalsContact C-N 3.33Å; A189-R191 PolarHBondContact O-N 2.96Å; R191-A195 WeakPolarHBondContact O-CB 3.05Å
192R50Low51.7Low194 Ų194122.1 Ų122.173%0.73260%0.602SS**Hα-helixtrans-85.3-21.3177.8-66.3-173.5-163.5156.16.4113.5A189 S190A189-R192 PolarHBondContact O-N 3.09Å; S190-R192 VanDerWaalsContact C-N 3.28Å; S190-R192 PolarHBondContact O-N 3.09Å
193Y46.6Very low50.7Low185 Ų185123.4 Ų123.473%0.72562%0.615SS**Hα-helixtrans-94.4-19.3177-65.5-72.7000114.1A189 S190A189-Y193 HydrophobicContact CB-CE2 4.43Å; A189-Y193 WeakPolarHBondContact O-CD2 3Å; A189-Y193 PolarHBondContact O-N 2.82Å; S190-Y193 PolarHBondContact O-N 2.95Å
194H47.5Very low49.7Very low144 Ų144128.3 Ų128.367%0.66763%0.63SS**Hα-helixtrans-96.7-11174.2-101-43.2000115.7S190S190-H194 PolarHBondContact O-N 3.19Å
195A47.9Very low48.4Very low83 Ų83136 Ų13669%0.68666%0.657SS**THydrogen-bonded Turntrans-84.9-7.6172.700000113.9R191R191-A195 WeakPolarHBondContact O-CB 3.05Å
196R44Very low47.1Very low234 Ų234135.7 Ų135.788%0.88368%0.676SS**THydrogen-bonded Turntrans-103.89.7178.5-114175.9-174.3-177.11.1115.1
197S44.1Very low46.2Very low86 Ų86142.8 Ų142.860%0.60170%0.698SS**SBendtrans-134.547.1-178.1-43.30000111.1
198R43.6Very low45.8Very low236 Ų236145.2 Ų145.289%0.89171%0.707SS**  trans-150.341.1170.9-112.7176.9-172.1-164.62.1111.6
199S42.4Very low45.4Very low108 Ų108148.7 Ų148.776%0.75572%0.715SS**SBendtrans-99125.3144.7-58.60000105.2
200P53.8Low45.1Very low107 Ų107154.1 Ų154.170%0.69574%0.738SS**PPolyproline II helixtrans-48.3139.1163.1-18.729.7000106.9
201P50.1Low44.9Very low110 Ų110159.3 Ų159.371%0.71475%0.748SS**PPolyproline II helixtrans-49.5127.9168.323.4-30.9000105.7Q203P201-Q203 PolarHBondContact O-N 3.39Å
202P52Low44.7Very low116 Ų116159.3 Ų159.375%0.75376%0.755SS**PPolyproline II helixtrans-52.3121.2178.119.9-29000104.7R204P202-R204 PolarHBondContact O-N 3.24Å
203Q48Very low44.3Very low186 Ų186159.4 Ų159.487%0.86976%0.763SS**  trans-58.691.5169.7-71.5179.912.200104.1P201 R205P201-Q203 PolarHBondContact O-N 3.39Å; Q203-R205 PolarHBondContact O-N 3.32Å
204R42.6Very low44.2Very low237 Ų237160.5 Ų160.589%0.89477%0.766SS**  trans-58.295.9155.2-87-171.6171.7-122.91.1101.7P202 G206P202-R204 PolarHBondContact O-N 3.24Å; R204-G206 PolarHBondContact O-N 3.29Å
205R38.8Very low43.9Very low184 Ų184160.2 Ų160.269%0.69477%0.77SS**  trans-49.183.6146.9-88.6172.5155.1-153.9-1104.9Q203 Y207Q203-R205 PolarHBondContact O-N 3.32Å; R205-Y207 HydrophobicContact CB-CD1 4.23Å; R205-Y207 HydrophobicContact CB-CD2 4.31Å; R205-Y207 HydrophobicContact CB-CE1 3.67Å; R205-Y207 HydrophobicContact CB-CE2 3.74Å; R205-Y207 VanDerWaalsContact CD-OH 3.3Å; R205-Y207 WeakPolarHBondContact CD-OH 3.46Å; R205-Y207 HydrophobicContact CG-CE1 4.01Å; R205-Y207 WeakPolarHBondContact O-CD2 3.43Å; R205-Y207 WeakPolarHBondContact O-CE2 3.43Å; R205-Y207 PolarHBondContact O-N 3.49Å; R205-Y207 VanDerWaalsContact O-N 3.14Å
206G37.9Very low43.5Very low65 Ų65167.2 Ų167.267%0.6778%0.778SS**  trans-72.188.7152.100000103.3R204 R208R204-G206 PolarHBondContact O-N 3.29Å; G206-R208 PolarHBondContact O-N 2.79Å
207Y38.6Very low43.6Very low166 Ų166162 Ų16265%0.65177%0.768SS**  trans-5893156.4-37.1-89.8000103.9R205 E209R205-Y207 HydrophobicContact CB-CD1 4.23Å; R205-Y207 HydrophobicContact CB-CD2 4.31Å; R205-Y207 HydrophobicContact CB-CE1 3.67Å; R205-Y207 HydrophobicContact CB-CE2 3.74Å; R205-Y207 VanDerWaalsContact CD-OH 3.3Å; R205-Y207 WeakPolarHBondContact CD-OH 3.46Å; R205-Y207 HydrophobicContact CG-CE1 4.01Å; R205-Y207 WeakPolarHBondContact O-CD2 3.43Å; R205-Y207 WeakPolarHBondContact O-CE2 3.43Å; R205-Y207 PolarHBondContact O-N 3.49Å; R205-Y207 VanDerWaalsContact O-N 3.14Å; Y207-E209 VanDerWaalsContact C-N 3.3Å; Y207-E209 PolarHBondContact O-N 3.41Å; Y207-E209 VanDerWaalsContact O-N 3.09Å
208R41.6Very low43.5Very low235 Ų235165.3 Ų165.389%0.88777%0.774SS**  trans-69.9104.2165-167.2176.2-173.8-175.9-0.2103.3G206 D210G206-R208 PolarHBondContact O-N 2.79Å; R208-D210 PolarHBondContact O-N 2.99Å
209E40.4Very low43.7Very low148 Ų148163.7 Ų163.769%0.69277%0.769SS**  trans-46102.7165-73.6162.5103.900107.9Y207 Y211Y207-E209 VanDerWaalsContact C-N 3.3Å; Y207-E209 PolarHBondContact O-N 3.41Å; Y207-E209 VanDerWaalsContact O-N 3.09Å; E209-Y211 HydrophobicContact CB-CD2 4.42Å; E209-Y211 HydrophobicContact CB-CE2 4.22Å
210D41.9Very low43.7Very low159 Ų159169.9 Ų169.985%0.8578%0.776SS**  trans-90.3116.6154.9-145.6-86.8000105.4R208R208-D210 PolarHBondContact O-N 2.99Å
211Y42.9Very low43.3Very low181 Ų181168.8 Ų168.871%0.7178%0.784SS**  trans-66.9143.5-160.2-86.9-109.5000111.9E209 H213E209-Y211 HydrophobicContact CB-CD2 4.42Å; E209-Y211 HydrophobicContact CB-CE2 4.22Å; Y211-H213 PolarHBondContact O-N 2.95Å; Y211-H213 VanDerWaalsContact O-N 3.1Å
212H43.9Very low42.9Very low182 Ų182167.3 Ų167.384%0.84379%0.789SS**  trans-41.9109.5166-72.6-93.9000112.9R214H212-R214 PolarHBondContact O-N 3.21Å
213H42.9Very low42.4Very low195 Ų195166 Ų16690%0.90380%0.796SS**  trans-82.993.8148.7-122.9-69.3000106.7Y211Y211-H213 PolarHBondContact O-N 2.95Å; Y211-H213 VanDerWaalsContact O-N 3.1Å
214R44.1Very low42Very low208 Ų208161 Ų16179%0.78580%0.795SS**  trans-157.4104.5165.4-122.1168.9-171.9-178.44.2110.6H212H212-R214 PolarHBondContact O-N 3.21Å
215D40.1Very low41.8Very low139 Ų139153.7 Ų153.774%0.74379%0.794SS**  trans4199.9137.6-53.2-66.7000117
216R40.5Very low41.8Very low229 Ų229149 Ų14986%0.86480%0.802SS**  -173.4108.2126.4-115.2169.9171.1171.4-2.6111.6
217D44.6Very low41.9Very low126 Ų126149.3 Ų149.367%0.67481%0.806SS**  47.6127.5119.2-61.9-52.8000119.2
218E43.4Very low41.9Very low154 Ų154153.8 Ų153.872%0.7282%0.822SS**  trans94.497.8135.2-74.1-179.2108.200119.3
219Y47.4Very low42Very low202 Ų202145.9 Ų145.979%0.79281%0.813SS**  trans76.9108133.1-66.1-64.9000119.6
220R43.5Very low42.1Very low239 Ų239151 Ų15190%0.90283%0.826SS**  96.2103.7112.9-162.1-178.8-160.4178.14.7117.6
221G45.1Very low42.1Very low83 Ų83146.9 Ų146.986%0.85682%0.821SS**  trans70.4135.5143.200000115.7
222G41.6Very low42.2Very low79 Ų79143.4 Ų143.481%0.81482%0.823SS**  cis132.6123.627.300000106.9
223G40.3Very low42.3Very low88 Ų88145.7 Ų145.791%0.90782%0.824SS**  trans73.7141.8173.100000114.2
224G39.7Very low42.5Very low81 Ų81144.1 Ų144.184%0.83582%0.817SS**  cis131.5114.821.700000107.5
225G39.8Very low42.6Very low85 Ų85139.4 Ų139.488%0.87681%0.807SS**  trans81.6120.1152.200000119.2
226G37Very low42.9Very low84 Ų84141.9 Ų141.987%0.86681%0.806SS**  97.9126.8124.700000118.6
227G41.8Very low43.3Very low73 Ų73138.8 Ų138.875%0.75380%0.796SS**  96.7106.7129.700000118.2
228R37.4Very low43.4Very low260 Ų260139 Ų13998%0.98180%0.797SS**  41.6130.5127.9-59.7-176.5-179.1-166.30.4119.3
229G43.3Very low43.5Very low68 Ų68138.9 Ų138.970%0.70180%0.801SS**  trans127.6107.4149.100000111.5
230R42.9Very low43.2Very low256 Ų256132.7 Ų132.797%0.96680%0.799SS**  72.7111.486.1-88.7-165.6174.1-152.10.1113.1
231G42.8Very low43.2Very low73 Ų73126.7 Ų126.775%0.75380%0.8SS**  trans71.5154.6147.500000114.8
232S44.5Very low43Very low108 Ų108126.5 Ų126.576%0.75580%0.798SS**  cis-176.2169.93.1-90.50000105.4
233R46.6Very low43Very low229 Ų229135 Ų13586%0.86481%0.806SS**  trans89.4128.1164.2-50.1172.3179.3-173-2.6112.8
234H45.3Very low42.9Very low162 Ų162134.7 Ų134.775%0.7580%0.802SS**  cis-141.8126.731.1-110.3-102.9000108.6
235D48Very low42.8Very low109 Ų109134.4 Ų134.458%0.58380%0.799SS**  68.8104.1101-66.6-62.8000113.7
236R46.4Very low42.8Very low191 Ų191141 Ų14172%0.72180%0.798SS**  68.3127.681.3-84.2175.9169.8-157.94.9111.6
237Y48Very low42.9Very low165 Ų165142.9 Ų142.965%0.64778%0.784SS**  cis-166163.218.9-97.1-66000109.4
238D47.4Very low43Very low130 Ų130146.4 Ų146.470%0.69579%0.786SS**  trans44.6139.3147.3-89.3-130.9000121
239D44.7Very low43.2Very low152 Ų152143.6 Ų143.681%0.81378%0.775SS**  cis-149.414525.8-80.1-93.4000105.6
240G41.3Very low43.3Very low71 Ų71150.6 Ų150.673%0.73278%0.782SS**  128.614365.500000109.6
241A42.5Very low43.5Very low114 Ų114145.3 Ų145.394%0.94277%0.772SS**  trans84.8115.9168.600000119.8
242G41.8Very low43.6Very low78 Ų78148.7 Ų148.780%0.80477%0.773SS**  trans156.947.1155.200000121.6
243R41.2Very low43.6Very low259 Ų259146.7 Ų146.798%0.97777%0.769SS**  trans45.7110.8154-67.4-171.5177.8-146.8-0.2120.2
244G38.6Very low43.4Very low80 Ų80141 Ų14183%0.82577%0.772SS**  trans-160.5115.1158.800000113.5
245G37.4Very low43.3Very low76 Ų76136.6 Ų136.678%0.78477%0.77SS**  trans53.8123.6148.800000122.3
246R40.1Very low43.1Very low222 Ų222143.9 Ų143.984%0.83879%0.789SS**  178.6147.9124.6-106.1-177.9-172.8-156.22.6114
247H39.7Very low42.7Very low124 Ų124138.8 Ų138.857%0.57480%0.797SS**  trans72.6135155.6-78.6-148.7000115.6
248D43.5Very low42.4Very low148 Ų148135.1 Ų135.179%0.79181%0.809SS**  -142.715556.7-75-66.3000116.1
249R41.3Very low42.1Very low200 Ų200140 Ų14076%0.75582%0.817SS**  trans-80.2151.5170.9-63.9170.2177173.7-2.8110.3
250Y44.8Very low41.8Very low216 Ų216142.3 Ų142.385%0.84782%0.816SS**  trans-171118.6134.3-76.4-61.8000106.6
251D47.9Very low41.8Very low144 Ų144146 Ų14677%0.7781%0.814SS**  71128.889-148.6-95.2000110.2
252D45.5Very low41.7Very low145 Ų145151.2 Ų151.278%0.77581%0.81SS**  cis-170.2169.81.4-124.9-107.4000106.9
253G43.1Very low41.8Very low65 Ų65157.6 Ų157.667%0.6781%0.811SS**  trans127.892.1152.200000118.4
254A42.9Very low41.9Very low111 Ų111152.3 Ų152.392%0.91780%0.802SS**  trans40133.3134.600000120.2
255G42.8Very low42.3Very low69 Ų69155.9 Ų155.971%0.71180%0.802SS**  cis150.315819.700000108.9
256R43.4Very low42.6Very low261 Ų261155.5 Ų155.599%0.98580%0.798SS**  trans78.9118-179.5-60.6-173.8172-150.1-1.2115.5
257G39.7Very low42.6Very low85 Ų85148.3 Ų148.388%0.87679%0.793SS**  cis111.910216.400000110.1
258G40.4Very low42.7Very low87 Ų87154.1 Ų154.190%0.89781%0.81SS**  trans173.88617600000113
259R40.6Very low42.6Very low233 Ų233157.6 Ų157.688%0.87981%0.812SS**  trans-88.2169.7176.9165.9-171.3-101.8-156.8-3.3109.9
260Y40.1Very low42.6Very low201 Ų201159.8 Ų159.879%0.78882%0.82SS**  trans90.9131.2165.989.9-109.3000114.2
261E40.2Very low42.6Very low149 Ų149157.7 Ų157.770%0.69682%0.818SS**  cis-154.215319-116.3151.2177.100111.6
262R41.8Very low42.1Very low223 Ų223154.2 Ų154.284%0.84282%0.816SS**  trans-93.2126.8177.1169.7-167.4-87.8-147.5-5.9108.3
263Y43.2Very low42.1Very low212 Ų212153 Ų15383%0.83182%0.819SS**  trans-125.8109.5156.2-77.5-82.9000108.7
264D43.7Very low42.7Very low148 Ų148155.6 Ų155.679%0.79182%0.824SS**  trans-99.8108.1167.8-162.4-82.9000104.5
265D46.8Very low42.9Very low154 Ų154155.9 Ų155.982%0.82482%0.817SS**  trans-116.1112.4166.4-169.8-99.3000108.2
266G43.3Very low42.9Very low68 Ų68164.8 Ų164.870%0.70183%0.829SS**  trans-76.8121.4179.200000111.4
267G39.3Very low43.1Very low71 Ų71164.1 Ų164.173%0.73283%0.826SS**  trans-134.674.1172.600000112R269G267-R269 PolarHBondContact O-N 3.4Å; G267-R269 VanDerWaalsContact O-N 3.15Å
268R41.8Very low43.2Very low247 Ų247163.4 Ų163.493%0.93282%0.819SS**  trans-59.5111.3165.8-76.2179.9179.8-178.21109.7
269R41.8Very low43.1Very low220 Ų220170.2 Ų170.283%0.8382%0.818SS**  trans-145111.2144.6-68.3-162.2-175.9-167.22.7110.9G267 H271G267-R269 PolarHBondContact O-N 3.4Å; G267-R269 VanDerWaalsContact O-N 3.15Å; R269-H271 PolarHBondContact O-N 3.17Å
270R40.9Very low43.5Very low247 Ų247163.9 Ų163.993%0.93281%0.809SS**  trans-56.1115.9159.2-82.4175.4167.6-170.6-4108.4
271H44.7Very low44.1Very low171 Ų171160.3 Ų160.379%0.79281%0.811SS**  trans-133.5136.5155.7-82.2-75.1000109R269R269-H271 PolarHBondContact O-N 3.17Å
272G38.5Very low44.9Very low72 Ų72158.8 Ų158.874%0.74281%0.811SS**PPolyproline II helixtrans-64.6157.2-160.800000115.3
273S45.9Very low45.6Very low120 Ų120158.8 Ų158.884%0.83981%0.811SS**PPolyproline II helixtrans-50.2132.5171.5-50.90000111.7
274P55.7Low46.5Very low119 Ų119152.6 Ų152.677%0.77379%0.79SS**PPolyproline II helixtrans-64.9141.5166.8-13.627.5000109.8
275P47Very low47.8Very low116 Ų116148.6 Ų148.675%0.75377%0.773SS**PPolyproline II helixtrans-69.3146.4177.529.8-32.2000110.1R277P275-R277 PolarHBondContact O-N 3.29Å
276R43.2Very low49.1Very low257 Ų257144.5 Ų144.597%0.9776%0.757SS**  trans-45.5108.8175.8-64.6-175.6174.1-163-1.6111
277R46.3Very low50.7Low246 Ų246148.5 Ų148.593%0.92876%0.757SS**  trans-94.8129.2168.7-89.5-174.2176.5-170.3-0.8110.1P275P275-R277 PolarHBondContact O-N 3.29Å
278G41.3Very low52.5Low71 Ų71150.2 Ų150.273%0.73275%0.746SS**  trans84.585.3147.600000116S280G278-S280 PolarHBondContact O-N 3.34Å
279R40.1Very low54.2Low230 Ų230144.6 Ų144.687%0.86873%0.725SS**PPolyproline II helixtrans-49.2117.1156.4-174.9176.7-174.3-171.70.9108.6
280S49.1Very low56.1Low99 Ų99142.6 Ų142.669%0.69272%0.717SS**PPolyproline II helixtrans-54.1143.9171.8-56.10000110.2G278 V282G278-S280 PolarHBondContact O-N 3.34Å; S280-V282 PolarHBondContact O-N 2.77Å
281P51.7Low58.1Low127 Ų127133.5 Ų133.583%0.82570%0.695SS**PPolyproline II helixtrans-54.8135.3-178.8-21.831.6000111.1R283P281-R283 PolarHBondContact O-N 3.08Å
282V56.7Low60Low116 Ų116131 Ų13170%0.70368%0.682SS**PPolyproline II helixtrans-57.1121.5172.1173.80000107.6S280 E284S280-V282 PolarHBondContact O-N 2.77Å; V282-E284 PolarHBondContact O-N 3.33Å
283R56.3Low62Low223 Ų223132.3 Ų132.384%0.84267%0.671SS**  trans-63.9115.4178.2-147.9177-167.2-171.72.1107.6P281 S285P281-R283 PolarHBondContact O-N 3.08Å; R283-S285 PolarHBondContact O-N 3.4Å
284E62.8Low63.8Low82 Ų82131.7 Ų131.738%0.38366%0.655SS.*  trans-49.7135.5175.6-80.6169.3115.600110.2V282 E288 K292V282-E284 PolarHBondContact O-N 3.33Å; E284-E288 HydrophobicContact CB-CB 4.36Å; E284-K292 IonicContact OE1-NZ 2.96Å; E284-K292 PolarHBondContact OE1-NZ 2.73Å; E284-K292 IonicContact OE2-NZ 2.93Å
285S71.5Confident65.2Low64 Ų64132.3 Ų132.345%0.44865%0.647SS.*  trans-62.1154.8178.3-177.80000110.6R283 E287 E288 R289R283-S285 PolarHBondContact O-N 3.4Å; S285-E287 PolarHBondContact O-N 2.92Å; S285-E287 VanDerWaalsContact O-N 3.09Å; S285-E288 PolarHBondContact N-OE2 3.29Å; S285-E288 PolarHBondContact O-N 2.95Å; S285-E288 VanDerWaalsContact O-N 3.17Å; S285-R289 PolarHBondContact O-N 3.19Å
286S73.2Confident66.9Low68 Ų68134.2 Ų134.248%0.47664%0.64SS.*Hα-helixtrans-52.7-32.1176.8162.80000112.4R290S286-R290 WeakPolarHBondContact O-CG 3.27Å; S286-R290 PolarHBondContact O-N 3.4Å
287E78Confident68.9Low152 Ų152125.7 Ų125.771%0.7161%0.613SS**Hα-helixtrans-72.5-44.1-179.5-65.9-179.5146.500112.4S285 R289 R290 A291S285-E287 PolarHBondContact O-N 2.92Å; S285-E287 VanDerWaalsContact O-N 3.09Å; E287-R289 VanDerWaalsContact C-N 3.25Å; E287-R289 PolarHBondContact O-N 3.18Å; E287-R290 PolarHBondContact O-N 3.33Å; E287-R290 VanDerWaalsContact O-N 3.17Å; E287-A291 PolarHBondContact O-N 2.95Å
288E76.6Confident70.5Confident108 Ų108121.3 Ų121.351%0.50560%0.597SS.*Hα-helixtrans-61.7-37.6176.7-67177.4123.200111.2E284 S285 A291 K292E284-E288 HydrophobicContact CB-CB 4.36Å; S285-E288 PolarHBondContact N-OE2 3.29Å; S285-E288 PolarHBondContact O-N 2.95Å; S285-E288 VanDerWaalsContact O-N 3.17Å; E288-A291 PolarHBondContact O-N 3.36Å; E288-K292 PolarHBondContact O-N 3.24Å; E288-K292 VanDerWaalsContact O-N 3.08Å
289R76.5Confident72.5Confident128 Ų128123.2 Ų123.248%0.48359%0.587SS.*Hα-helixtrans-66.8-37.4177.8-142.7-180-64.4-150.5-0.3112.2S285 E287 I293S285-R289 PolarHBondContact O-N 3.19Å; E287-R289 VanDerWaalsContact C-N 3.25Å; E287-R289 PolarHBondContact O-N 3.18Å; R289-I293 WeakPolarHBondContact O-CD1 3.15Å; R289-I293 VanDerWaalsContact O-CG1 3.29Å; R289-I293 WeakPolarHBondContact O-CG1 3.31Å; R289-I293 PolarHBondContact O-N 3.44Å
290R82.4Confident74.2Confident178 Ų178118.3 Ų118.367%0.67257%0.568SS**Hα-helixtrans-69.3-42.4174.8-73.2-179.2-152.9-146.14.7112S286 E287 K292 I293 E294S286-R290 WeakPolarHBondContact O-CG 3.27Å; S286-R290 PolarHBondContact O-N 3.4Å; E287-R290 PolarHBondContact O-N 3.33Å; E287-R290 VanDerWaalsContact O-N 3.17Å; R290-K292 VanDerWaalsContact C-N 3.31Å; R290-K292 PolarHBondContact O-N 2.94Å; R290-I293 PolarHBondContact O-N 2.99Å; R290-E294 PolarHBondContact O-N 3.45Å
291A83.3Confident75.6Confident56 Ų56120.4 Ų120.446%0.46357%0.567SS.*Hα-helixtrans-61-39.9178.200000112.1E287 E288 E294 Q295E287-A291 PolarHBondContact O-N 2.95Å; E288-A291 PolarHBondContact O-N 3.36Å; A291-E294 PolarHBondContact O-N 2.86Å; A291-Q295 WeakPolarHBondContact O-CB 3.1Å; A291-Q295 PolarHBondContact O-N 2.91Å
292K83.6Confident76.7Confident119 Ų119118.7 Ų118.752%0.51756%0.558SS.*Hα-helixtrans-63.1-42.4175.3-122.7172.2-169.1162.10112.6E284 E288 R290 Q295 W296E284-K292 IonicContact OE1-NZ 2.96Å; E284-K292 PolarHBondContact OE1-NZ 2.73Å; E284-K292 IonicContact OE2-NZ 2.93Å; E288-K292 PolarHBondContact O-N 3.24Å; E288-K292 VanDerWaalsContact O-N 3.08Å; R290-K292 VanDerWaalsContact C-N 3.31Å; R290-K292 PolarHBondContact O-N 2.94Å; K292-Q295 PolarHBondContact O-N 3.28Å; K292-W296 WeakPolarHBondContact O-CB 3.39Å; K292-W296 PolarHBondContact O-N 3.01Å
293I80.1Confident77.3Confident99 Ų99121.4 Ų121.451%0.50856%0.56SS.*Hα-helixtrans-65.6-41.6177.7-66.4165.4000110.4R289 R290 W296 N297R289-I293 WeakPolarHBondContact O-CD1 3.15Å; R289-I293 VanDerWaalsContact O-CG1 3.29Å; R289-I293 WeakPolarHBondContact O-CG1 3.31Å; R289-I293 PolarHBondContact O-N 3.44Å; R290-I293 PolarHBondContact O-N 2.99Å; I293-W296 PolarHBondContact O-N 3.38Å; I293-N297 PolarHBondContact O-N 2.99Å
294E84.7Confident77.2Confident108 Ų108120.2 Ų120.251%0.50556%0.564SS.*Hα-helixtrans-63.8-43.1177-164.6-170.1157.700111.9R290 A291 W296 N297 R298R290-E294 PolarHBondContact O-N 3.45Å; A291-E294 PolarHBondContact O-N 2.86Å; E294-W296 VanDerWaalsContact C-N 3.34Å; E294-W296 PolarHBondContact O-N 3.48Å; E294-N297 PolarHBondContact O-N 3Å; E294-R298 WeakPolarHBondContact O-CB 3.5Å; E294-R298 PolarHBondContact O-N 3.33Å; E294-R298 IonicContact OE1-CZ 3.87Å; E294-R298 IonicContact OE1-NH2 2.73Å; E294-R298 PolarHBondContact OE1-NH2 2.84Å
295Q84.2Confident78Confident131 Ų131122.1 Ų122.161%0.61257%0.573SS**Hα-helixtrans-63.7-41177.5-160.8176.52100111.6A291 K292 R298 E299A291-Q295 WeakPolarHBondContact O-CB 3.1Å; A291-Q295 PolarHBondContact O-N 2.91Å; K292-Q295 PolarHBondContact O-N 3.28Å; Q295-R298 PolarHBondContact O-N 3.04Å; Q295-E299 PolarHBondContact O-N 3Å
296W84.1Confident78.3Confident156 Ų156125.2 Ų125.259%0.59158%0.58SS**Hα-helixtrans-64.3-40.5176.6-170.486.2000112.5K292 I293 E294 E299 R300K292-W296 WeakPolarHBondContact O-CB 3.39Å; K292-W296 PolarHBondContact O-N 3.01Å; I293-W296 PolarHBondContact O-N 3.38Å; E294-W296 VanDerWaalsContact C-N 3.34Å; E294-W296 PolarHBondContact O-N 3.48Å; W296-E299 PolarHBondContact O-N 3.4Å; W296-R300 HydrophobicContact CD2-CG 4.44Å; W296-R300 HydrophobicContact CE3-CG 4.24Å; W296-R300 HydrophobicContact CH2-CG 3.89Å; W296-R300 HydrophobicContact CZ2-CG 4.08Å; W296-R300 HydrophobicContact CZ3-CG 3.96Å; W296-R300 PolarHBondContact O-N 3.02Å
297N83.8Confident78.6Confident78 Ų78128.3 Ų128.342%0.41759%0.586SS.*Hα-helixtrans-63.6-41.9174.3-76.1-17.8000111.5I293 E294 E299 R300 E301I293-N297 PolarHBondContact O-N 2.99Å; E294-N297 PolarHBondContact O-N 3Å; N297-E299 PolarHBondContact O-N 3.45Å; N297-R300 WeakPolarHBondContact O-CB 3.44Å; N297-R300 PolarHBondContact O-N 3.46Å; N297-R300 VanDerWaalsContact O-N 3.11Å; N297-E301 PolarHBondContact O-N 3.16Å
298R81.6Confident78.6Confident155 Ų155126.9 Ų126.959%0.58558%0.578SS**Hα-helixtrans-65.1-37.2179.6-146.6-177.4-68.3178.5-1.9112.6E294 Q295 S302E294-R298 WeakPolarHBondContact O-CB 3.5Å; E294-R298 PolarHBondContact O-N 3.33Å; E294-R298 IonicContact OE1-CZ 3.87Å; E294-R298 IonicContact OE1-NH2 2.73Å; E294-R298 PolarHBondContact OE1-NH2 2.84Å; Q295-R298 PolarHBondContact O-N 3.04Å; R298-S302 PolarHBondContact O-N 3.22Å; R298-S302 VanDerWaalsContact O-N 3.16Å; R298-S302 PolarHBondContact O-OG 2.95Å
299E81.6Confident78.8Confident110 Ų110128.1 Ų128.151%0.51458%0.583SS.*Hα-helixtrans-71-29.2172.2-78.2-169.211500113.4Q295 W296 N297 S302 K303Q295-E299 PolarHBondContact O-N 3Å; W296-E299 PolarHBondContact O-N 3.4Å; N297-E299 PolarHBondContact O-N 3.45Å; E299-S302 PolarHBondContact O-OG 3.11Å; E299-K303 WeakPolarHBondContact O-CG 3.48Å
300R76.9Confident78.9Confident127 Ų127128.1 Ų128.148%0.47959%0.59SS.*Hα-helixtrans-73-33.9174.2-97.2-119.862.2-175.50.2112.6W296 N297 Q304W296-R300 HydrophobicContact CD2-CG 4.44Å; W296-R300 HydrophobicContact CE3-CG 4.24Å; W296-R300 HydrophobicContact CH2-CG 3.89Å; W296-R300 HydrophobicContact CZ2-CG 4.08Å; W296-R300 HydrophobicContact CZ3-CG 3.96Å; W296-R300 PolarHBondContact O-N 3.02Å; N297-R300 WeakPolarHBondContact O-CB 3.44Å; N297-R300 PolarHBondContact O-N 3.46Å; N297-R300 VanDerWaalsContact O-N 3.11Å; R300-Q304 VanDerWaalsContact NH2-NE2 3.16Å
301E77.5Confident78.7Confident144 Ų144124.6 Ų124.667%0.67358%0.584SS**Hα-helixtrans-74.6-33.9175.8-73.9-178.9133.500112.4N297 K303N297-E301 PolarHBondContact O-N 3.16Å; E301-K303 VanDerWaalsContact C-N 3.26Å; E301-K303 PolarHBondContact O-N 3.39Å
302S75.1Confident78.3Confident91 Ų91129.8 Ų129.864%0.63659%0.593SS**THydrogen-bonded Turntrans-76.3-10.3176.665.80000114.7R298 E299R298-S302 PolarHBondContact O-N 3.22Å; R298-S302 VanDerWaalsContact O-N 3.16Å; R298-S302 PolarHBondContact O-OG 2.95Å; E299-S302 PolarHBondContact O-OG 3.11Å
303K69.7Low77.9Confident173 Ų173130.8 Ų130.875%0.75260%0.599SS**THydrogen-bonded Turntrans-101.85.2176.9-74.9-179.2178.8172.80113.8E299 E301E299-K303 WeakPolarHBondContact O-CG 3.48Å; E301-K303 VanDerWaalsContact C-N 3.26Å; E301-K303 PolarHBondContact O-N 3.39Å
304Q55.3Low77.7Confident197 Ų197133.6 Ų133.692%0.92161%0.608SS**  trans-105.20164.8-76.8-176.356.100109.5R300R300-Q304 VanDerWaalsContact NH2-NE2 3.16Å

Retrieved 304 of 304 residues in 55 ms (Link to these results)

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