A0A061IQD6_CRIGR Loading...

Signal transducer and activator of transcription

Carries out a dual function: signal transduction and activation of transcription. Involved in IL4/interleukin-4- and IL3/interleukin-3-mediated signaling.

AlphaFold DB , UniProt , Accession A0A061IQD6, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Stat6, Length 853 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
1M56.3Low82.3Confident129 Ų12942.8 Ų42.864%0.63524%0.241SC*.  0156.90-66.8179.8-75.300108.4L6 K9 P118M1-L6 HydrophobicContact CE-CD2 3.57Å; M1-L6 HydrophobicContact CE-CG 4.33Å; M1-K9 PolarHBondContact SD-NZ 3.25Å; M1-P118 VanDerWaalsContact O-CB 3.29Å; M1-P118 WeakPolarHBondContact O-CB 3.34Å; M1-P118 WeakPolarHBondContact O-CG 3.46Å
2S80.1Confident81.8Confident38 Ų3845.5 Ų45.527%0.26626%0.262SS..  trans-70.6168.116539.30000110.9W4 G5 D32 E35S2-W4 VanDerWaalsContact C-N 3.32Å; S2-G5 PolarHBondContact O-N 3.35Å; S2-G5 VanDerWaalsContact O-N 3.1Å; S2-D32 WeakPolarHBondContact CB-OD1 3.26Å; S2-D32 PolarHBondContact OG-OD1 3.41Å; S2-E35 WeakPolarHBondContact CB-OE2 3.28Å
3L85.1Confident81.4Confident0 Ų052.2 Ų52.20%029%0.289CS..SBendtrans-62.2-44176.5-178.366.6000109.7G5 L6 I7 E35 L103 E106 K107 V110 L117 F121L3-G5 PolarHBondContact O-N 3.09Å; L3-L6 PolarHBondContact O-N 3.25Å; L3-I7 HydrophobicContact CG-CG1 4.31Å; L3-I7 WeakPolarHBondContact O-CG1 3.02Å; L3-I7 PolarHBondContact O-N 3.46Å; L3-E35 HydrophobicContact CB-CG 4.42Å; L3-E35 WeakPolarHBondContact CB-OE2 3.36Å; L3-E35 PolarHBondContact N-OE2 3.48Å; L3-L103 HydrophobicContact CD2-CD2 4.28Å; L3-E106 HydrophobicContact CD2-CB 3.92Å; L3-E106 HydrophobicContact CG-CB 4.36Å; L3-K107 HydrophobicContact CD2-CG 4.14Å; L3-V110 HydrophobicContact CD1-CB 4.24Å; L3-V110 HydrophobicContact CD1-CG1 4.41Å; L3-V110 HydrophobicContact CD1-CG2 3.94Å; L3-L117 HydrophobicContact CD1-CD2 3.69Å; L3-F121 HydrophobicContact CB-CD2 3.96Å; L3-F121 HydrophobicContact CB-CE2 4.02Å; L3-F121 HydrophobicContact CD2-CE2 4.07Å; L3-F121 HydrophobicContact CD2-CZ 4.21Å
4W88.1Confident80.9Confident24 Ų2457.1 Ų57.19%0.09131%0.306CS..Hα-helixtrans-57.6-31173.2-163.5-107.7000113.4S2 L6 I7 S8 Y19 Q24 R27 H28 A31 E35S2-W4 VanDerWaalsContact C-N 3.32Å; W4-L6 PolarHBondContact O-N 3.39Å; W4-I7 HydrophobicContact CD2-CG2 4.41Å; W4-I7 HydrophobicContact CE3-CB 4.09Å; W4-I7 HydrophobicContact CE3-CG2 3.67Å; W4-I7 HydrophobicContact CH2-CG2 4.16Å; W4-I7 HydrophobicContact CZ3-CB 4.44Å; W4-I7 HydrophobicContact CZ3-CG2 3.53Å; W4-I7 PolarHBondContact O-N 2.9Å; W4-S8 VanDerWaalsContact O-CB 3.28Å; W4-S8 WeakPolarHBondContact O-CB 3.47Å; W4-S8 PolarHBondContact O-N 3.25Å; W4-S8 PolarHBondContact O-OG 3.09Å; W4-Y19 HydrophobicContact CZ3-CE1 4.38Å; W4-Y19 WeakPolarHBondContact CZ3-OH 3.26Å; W4-Q24 HydrophobicContact CH2-CG 3.88Å; W4-R27 HydrophobicContact CE3-CG 3.87Å; W4-R27 HydrophobicContact CH2-CG 3.87Å; W4-R27 HydrophobicContact CZ3-CB 4.45Å; W4-R27 HydrophobicContact CZ3-CG 3.36Å; W4-H28 AromaticContact CD1-ND1 3.9Å; W4-H28 HydrophobicContact CZ2-CB 3.66Å; W4-H28 AromaticContact NE1-CE1 3.98Å; W4-H28 AromaticContact NE1-CG 3.66Å; W4-H28 AromaticContact NE1-ND1 3.2Å; W4-H28 PolarHBondContact NE1-ND1 3.33Å; W4-A31 HydrophobicContact CB-CB 3.85Å; W4-A31 HydrophobicContact CD2-CB 4.4Å; W4-A31 HydrophobicContact CG-CB 3.74Å; W4-E35 WeakPolarHBondContact CB-OE1 3.42Å; W4-E35 PolarHBondContact N-OE1 3.05Å
5G85.7Confident81Confident17 Ų1753.4 Ų53.418%0.17529%0.286CS..Hα-helixtrans-70-11.2176.100000115.2S2 L3 K9S2-G5 PolarHBondContact O-N 3.35Å; S2-G5 VanDerWaalsContact O-N 3.1Å; L3-G5 PolarHBondContact O-N 3.09Å; G5-K9 VanDerWaalsContact O-CE 3.26Å; G5-K9 WeakPolarHBondContact O-CE 3.36Å
6L85.3Confident80.6Confident5 Ų559.6 Ų59.63%0.02631%0.313CS..Hα-helixtrans-100.1-46.1166.4-70.3174.6000111M1 L3 W4 S8 K9 V110 F114 P118M1-L6 HydrophobicContact CE-CD2 3.57Å; M1-L6 HydrophobicContact CE-CG 4.33Å; L3-L6 PolarHBondContact O-N 3.25Å; W4-L6 PolarHBondContact O-N 3.39Å; L6-S8 VanDerWaalsContact C-N 3.29Å; L6-S8 PolarHBondContact O-N 3.29Å; L6-K9 WeakPolarHBondContact O-CB 3.33Å; L6-K9 PolarHBondContact O-N 2.76Å; L6-V110 HydrophobicContact CB-CG1 4.43Å; L6-V110 HydrophobicContact CB-CG2 3.94Å; L6-V110 HydrophobicContact CD1-CG1 3.64Å; L6-F114 HydrophobicContact CB-CD2 4.42Å; L6-F114 HydrophobicContact CB-CE2 4.06Å; L6-F114 HydrophobicContact CD1-CD2 4.48Å; L6-F114 HydrophobicContact CD2-CD1 4.5Å; L6-F114 HydrophobicContact CD2-CD2 4.39Å; L6-F114 HydrophobicContact CD2-CE1 4.37Å; L6-F114 HydrophobicContact CD2-CE2 4.27Å; L6-F114 HydrophobicContact CD2-CZ 4.26Å; L6-P118 HydrophobicContact CD1-CG 3.79Å
7I88.1Confident80.7Confident3 Ų369.1 Ų69.12%0.01534%0.343CS..Hα-helixtrans-53.9-42.1178-67.4-66.8000112.6L3 W4 K9 M10 L15 E106 V110L3-I7 HydrophobicContact CG-CG1 4.31Å; L3-I7 WeakPolarHBondContact O-CG1 3.02Å; L3-I7 PolarHBondContact O-N 3.46Å; W4-I7 HydrophobicContact CD2-CG2 4.41Å; W4-I7 HydrophobicContact CE3-CB 4.09Å; W4-I7 HydrophobicContact CE3-CG2 3.67Å; W4-I7 HydrophobicContact CH2-CG2 4.16Å; W4-I7 HydrophobicContact CZ3-CB 4.44Å; W4-I7 HydrophobicContact CZ3-CG2 3.53Å; W4-I7 PolarHBondContact O-N 2.9Å; I7-K9 PolarHBondContact O-N 3.1Å; I7-K9 VanDerWaalsContact O-N 3.1Å; I7-M10 HydrophobicContact CD1-SD 3.94Å; I7-M10 WeakPolarHBondContact O-CB 3.5Å; I7-M10 PolarHBondContact O-N 3.1Å; I7-L15 HydrophobicContact CD1-CD2 4Å; I7-L15 HydrophobicContact CG2-CD1 3.71Å; I7-E106 HydrophobicContact CD1-CB 3.59Å; I7-E106 HydrophobicContact CD1-CG 3.75Å; I7-E106 HydrophobicContact CG1-CB 3.96Å; I7-E106 HydrophobicContact CG1-CG 3.97Å; I7-V110 HydrophobicContact CD1-CG2 3.62Å; I7-V110 HydrophobicContact CG1-CG2 4.05Å
8S85.6Confident80.9Confident77 Ų7767.8 Ų67.854%0.53834%0.338SS..THydrogen-bonded Turntrans-67-5177.3530000115.2W4 L6W4-S8 VanDerWaalsContact O-CB 3.28Å; W4-S8 WeakPolarHBondContact O-CB 3.47Å; W4-S8 PolarHBondContact O-N 3.25Å; W4-S8 PolarHBondContact O-OG 3.09Å; L6-S8 VanDerWaalsContact C-N 3.29Å; L6-S8 PolarHBondContact O-N 3.29Å
9K84.8Confident81.2Confident104 Ų10465.3 Ų65.345%0.45232%0.324SS..THydrogen-bonded Turntrans-103-4.2173.2-57.4176.3-179.4174.10113M1 G5 L6 I7M1-K9 PolarHBondContact SD-NZ 3.25Å; G5-K9 VanDerWaalsContact O-CE 3.26Å; G5-K9 WeakPolarHBondContact O-CE 3.36Å; L6-K9 WeakPolarHBondContact O-CB 3.33Å; L6-K9 PolarHBondContact O-N 2.76Å; I7-K9 PolarHBondContact O-N 3.1Å; I7-K9 VanDerWaalsContact O-N 3.1Å
10M84.9Confident81.2Confident17 Ų1767.8 Ų67.88%0.08434%0.343CS..SBendtrans-89.7153-176.9-55.1-169.87400111.5I7 K14 L15 A109 V110 E113 F114I7-M10 HydrophobicContact CD1-SD 3.94Å; I7-M10 WeakPolarHBondContact O-CB 3.5Å; I7-M10 PolarHBondContact O-N 3.1Å; M10-K14 HydrophobicContact CE-CD 4.45Å; M10-L15 HydrophobicContact CB-CD1 4.04Å; M10-A109 HydrophobicContact CE-CB 3.99Å; M10-A109 WeakPolarHBondContact CE-O 3.21Å; M10-A109 HydrophobicContact SD-CB 4.13Å; M10-V110 HydrophobicContact SD-CG2 4.12Å; M10-E113 HydrophobicContact CE-CB 3.6Å; M10-E113 HydrophobicContact CE-CG 3.97Å; M10-F114 HydrophobicContact CG-CE2 4.07Å; M10-F114 HydrophobicContact CG-CZ 4.42Å; M10-F114 HydrophobicContact SD-CE2 4.19Å
11P81.6Confident81Confident57 Ų5768.7 Ų68.737%0.3735%0.349SS..  trans-60.2130.5172.2-20.632.4000111E13 K14P11-E13 WeakPolarHBondContact CB-OE2 3.2Å; P11-E13 PolarHBondContact O-N 3.27Å; P11-E13 VanDerWaalsContact O-N 3.17Å; P11-K14 PolarHBondContact O-N 2.88Å; P11-K14 VanDerWaalsContact O-N 3.14Å
12P75.7Confident82.4Confident75 Ų7562.6 Ų62.649%0.48732%0.318SS..G310 helixtrans-63.1-24.8-173.825.9-34.6000113.1K14 L15 Q16P12-K14 PolarHBondContact O-N 3.44Å; P12-L15 PolarHBondContact O-N 3.19Å; P12-Q16 PolarHBondContact O-N 2.98Å
13E77.4Confident82.7Confident133 Ų13362.9 Ų62.962%0.62132%0.319SS*.G310 helixtrans-61.3-31.5178.1-53.974-161.200111.9P11 L15P11-E13 WeakPolarHBondContact CB-OE2 3.2Å; P11-E13 PolarHBondContact O-N 3.27Å; P11-E13 VanDerWaalsContact O-N 3.17Å; E13-L15 PolarHBondContact O-N 3.43Å
14K74.6Confident82.7Confident120 Ų12066.8 Ų66.852%0.52234%0.338SS..G310 helixtrans-71.2-20.1175.6-64-166178.6-171.50113M10 P11 P12 E113M10-K14 HydrophobicContact CE-CD 4.45Å; P11-K14 PolarHBondContact O-N 2.88Å; P11-K14 VanDerWaalsContact O-N 3.14Å; P12-K14 PolarHBondContact O-N 3.44Å; K14-E113 IonicContact NZ-OE1 3.53Å; K14-E113 IonicContact NZ-OE2 3.2Å; K14-E113 PolarHBondContact NZ-OE2 3.24Å
15L81.5Confident82.6Confident2 Ų269.7 Ų69.71%0.0135%0.352CS..THydrogen-bonded Turntrans-115.6-16.4-168.6-59.7168.8000113.5I7 M10 P12 E13 R17 L18 Y19 A109I7-L15 HydrophobicContact CD1-CD2 4Å; I7-L15 HydrophobicContact CG2-CD1 3.71Å; M10-L15 HydrophobicContact CB-CD1 4.04Å; P12-L15 PolarHBondContact O-N 3.19Å; E13-L15 PolarHBondContact O-N 3.43Å; L15-R17 PolarHBondContact O-N 2.87Å; L15-L18 HydrophobicContact CD2-CD1 4.04Å; L15-L18 WeakPolarHBondContact O-CB 3.45Å; L15-L18 PolarHBondContact O-N 3.08Å; L15-Y19 HydrophobicContact CB-CE2 3.88Å; L15-A109 HydrophobicContact CD2-CB 4.03Å
16Q74.9Confident82.6Confident152 Ų15269 Ų6971%0.7134%0.344SS*.THydrogen-bonded Turntrans-57.1-26.8-172.6-165174.817.400113.9P12 L18P12-Q16 PolarHBondContact O-N 2.98Å; Q16-L18 VanDerWaalsContact C-N 3.31Å; Q16-L18 PolarHBondContact O-N 2.92Å
17R82.1Confident82.8Confident221 Ų22168.8 Ų68.883%0.83434%0.343SS*.THydrogen-bonded Turntrans-75.8-11176.8-63-175.8-177.6-175.20114.6L15L15-R17 PolarHBondContact O-N 2.87Å
18L83.9Confident82.8Confident46 Ų4673.8 Ų73.824%0.24137%0.366CS..THydrogen-bonded Turntrans-85.5-35.7-178.2-58.6179.8000112.6L15 Q16 V20 I102 E106L15-L18 HydrophobicContact CD2-CD1 4.04Å; L15-L18 WeakPolarHBondContact O-CB 3.45Å; L15-L18 PolarHBondContact O-N 3.08Å; Q16-L18 VanDerWaalsContact C-N 3.31Å; Q16-L18 PolarHBondContact O-N 2.92Å; L18-V20 VanDerWaalsContact C-N 3.34Å; L18-V20 PolarHBondContact O-N 3.2Å; L18-I102 VanDerWaalsContact O-CG1 3.32Å; L18-I102 WeakPolarHBondContact O-CG1 3.3Å; L18-E106 HydrophobicContact CD1-CG 4.21Å
19Y86.8Confident82.8Confident21 Ų2172.8 Ų72.88%0.08236%0.355CS..  trans-95.341.7-167.7-49.5-63.1000113.8W4 L15 F22 Q24 R27 I102 E106W4-Y19 HydrophobicContact CZ3-CE1 4.38Å; W4-Y19 WeakPolarHBondContact CZ3-OH 3.26Å; L15-Y19 HydrophobicContact CB-CE2 3.88Å; Y19-F22 WeakPolarHBondContact CA-O 3.42Å; Y19-Q24 HydrophobicContact CD1-CB 4.27Å; Y19-Q24 HydrophobicContact CD1-CG 4.35Å; Y19-Q24 HydrophobicContact CD2-CB 3.68Å; Y19-Q24 HydrophobicContact CD2-CG 3.55Å; Y19-Q24 HydrophobicContact CE1-CG 4.43Å; Y19-Q24 HydrophobicContact CE2-CB 4.27Å; Y19-Q24 HydrophobicContact CE2-CG 3.62Å; Y19-Q24 HydrophobicContact CG-CB 3.68Å; Y19-Q24 HydrophobicContact CG-CG 3.95Å; Y19-R27 HydrophobicContact CE1-CB 4.38Å; Y19-R27 HydrophobicContact CE1-CG 3.95Å; Y19-I102 HydrophobicContact CD1-CD1 4.38Å; Y19-I102 HydrophobicContact CD1-CG2 4.18Å; Y19-I102 HydrophobicContact CE1-CG2 3.73Å; Y19-E106 PolarHBondContact OH-OE1 3.02Å
20V80.6Confident83Confident114 Ų11468.1 Ų68.169%0.69134%0.335SS*.SBendtrans-77.5-62.7-177.3-177.70000111.1L18L18-V20 VanDerWaalsContact C-N 3.34Å; L18-V20 PolarHBondContact O-N 3.2Å
21D78.9Confident83.2Confident88 Ų8867.7 Ų67.747%0.47133%0.334SS..SBendtrans-81.4-10.5-179.1-69.7-72.3000114.4Y88 T98D21-Y88 PolarHBondContact O-OH 2.88Å; D21-T98 HydrophobicContact CB-CG2 3.68Å
22F84.8Confident83.4Confident0 Ų069.9 Ų69.90%034%0.343CS..SBendtrans-141.5111.6178.8-169.7-96.4000110.9Y19 L26 R27 L30 L34 L84 L95 T98 I99 I102Y19-F22 WeakPolarHBondContact CA-O 3.42Å; F22-L26 HydrophobicContact CE1-CB 3.78Å; F22-L26 HydrophobicContact CE2-CB 4.45Å; F22-L26 HydrophobicContact CE2-CD1 4.36Å; F22-L26 HydrophobicContact CZ-CB 3.71Å; F22-L26 HydrophobicContact CZ-CD1 4.41Å; F22-R27 HydrophobicContact CD1-CB 4.32Å; F22-R27 HydrophobicContact CE1-CB 4.15Å; F22-L30 HydrophobicContact CZ-CD1 4.42Å; F22-L34 HydrophobicContact CE1-CD1 4.11Å; F22-L34 HydrophobicContact CZ-CD1 4.49Å; F22-L84 HydrophobicContact CD2-CD2 3.83Å; F22-L84 HydrophobicContact CE2-CD1 4.11Å; F22-L84 HydrophobicContact CE2-CD2 3.88Å; F22-L95 HydrophobicContact CD2-CD1 4.39Å; F22-T98 HydrophobicContact CB-CG2 3.86Å; F22-I99 HydrophobicContact CB-CD1 4.3Å; F22-I99 HydrophobicContact CD1-CD1 3.64Å; F22-I99 HydrophobicContact CD2-CD1 3.81Å; F22-I99 HydrophobicContact CE1-CD1 3.78Å; F22-I99 HydrophobicContact CE2-CD1 3.96Å; F22-I99 HydrophobicContact CG-CD1 3.65Å; F22-I99 HydrophobicContact CZ-CD1 3.94Å; F22-I102 HydrophobicContact CB-CD1 3.7Å; F22-I102 HydrophobicContact CD1-CD1 4.35Å; F22-I102 HydrophobicContact CG-CD1 4.43Å
23P86.1Confident84.1Confident44 Ų4468.1 Ų68.129%0.28633%0.326SS..  trans-62.3137.3-170.6-27.935.8000115H25 L26 R27P23-H25 PolarHBondContact O-N 3.33Å; P23-H25 VanDerWaalsContact O-N 3.09Å; P23-L26 HydrophobicContact CB-CG 4.32Å; P23-L26 HydrophobicContact CG-CD1 4.4Å; P23-L26 PolarHBondContact O-N 3.34Å; P23-R27 PolarHBondContact O-N 3.45Å
24Q86.1Confident84.7Confident83 Ų8361.9 Ų61.939%0.38830%0.297SS..Hα-helixtrans-54.2-33.2-179.4-165.8-179.812.900113.4W4 Y19 L26 R27 H28W4-Q24 HydrophobicContact CH2-CG 3.88Å; Y19-Q24 HydrophobicContact CD1-CB 4.27Å; Y19-Q24 HydrophobicContact CD1-CG 4.35Å; Y19-Q24 HydrophobicContact CD2-CB 3.68Å; Y19-Q24 HydrophobicContact CD2-CG 3.55Å; Y19-Q24 HydrophobicContact CE1-CG 4.43Å; Y19-Q24 HydrophobicContact CE2-CB 4.27Å; Y19-Q24 HydrophobicContact CE2-CG 3.62Å; Y19-Q24 HydrophobicContact CG-CB 3.68Å; Y19-Q24 HydrophobicContact CG-CG 3.95Å; Q24-L26 VanDerWaalsContact C-N 3.34Å; Q24-L26 PolarHBondContact O-N 3.2Å; Q24-R27 PolarHBondContact O-N 3.31Å; Q24-H28 PolarHBondContact O-N 3.48Å
25H84.8Confident85.4Confident85 Ų8556.3 Ų56.339%0.39427%0.273SS..Hα-helixtrans-63.8-37.6176.7-174.829.7000112.5P23 H28 L29P23-H25 PolarHBondContact O-N 3.33Å; P23-H25 VanDerWaalsContact O-N 3.09Å; H25-H28 PolarHBondContact O-N 3.03Å; H25-L29 WeakPolarHBondContact O-CG 3.47Å; H25-L29 PolarHBondContact O-N 3.05Å
26L86.1Confident85.8Confident2 Ų258.1 Ų58.11%0.0129%0.285CS..Hα-helixtrans-72.9-39176.6-52.3-175.9000110.9F22 P23 Q24 H28 L29 L30 L64 H80 L84F22-L26 HydrophobicContact CE1-CB 3.78Å; F22-L26 HydrophobicContact CE2-CB 4.45Å; F22-L26 HydrophobicContact CE2-CD1 4.36Å; F22-L26 HydrophobicContact CZ-CB 3.71Å; F22-L26 HydrophobicContact CZ-CD1 4.41Å; P23-L26 HydrophobicContact CB-CG 4.32Å; P23-L26 HydrophobicContact CG-CD1 4.4Å; P23-L26 PolarHBondContact O-N 3.34Å; Q24-L26 VanDerWaalsContact C-N 3.34Å; Q24-L26 PolarHBondContact O-N 3.2Å; L26-H28 PolarHBondContact O-N 2.93Å; L26-L29 HydrophobicContact CD2-CD1 4.41Å; L26-L29 PolarHBondContact O-N 3.5Å; L26-L30 WeakPolarHBondContact O-CB 3.44Å; L26-L30 PolarHBondContact O-N 3.2Å; L26-L64 HydrophobicContact CD1-CD1 4.46Å; L26-L64 HydrophobicContact CD2-CD2 4.02Å; L26-H80 HydrophobicContact CD1-CB 4.05Å; L26-H80 HydrophobicContact CD2-CB 4.34Å; L26-L84 HydrophobicContact CD1-CD1 4.05Å
27R88.9Confident86.7Confident1 Ų152.4 Ų52.40%0.00426%0.259CS..Hα-helixtrans-59-35.8172.3170.763.2-173.8105.1-8.3112.3W4 Y19 F22 P23 Q24 A31 E35 E106W4-R27 HydrophobicContact CE3-CG 3.87Å; W4-R27 HydrophobicContact CH2-CG 3.87Å; W4-R27 HydrophobicContact CZ3-CB 4.45Å; W4-R27 HydrophobicContact CZ3-CG 3.36Å; Y19-R27 HydrophobicContact CE1-CB 4.38Å; Y19-R27 HydrophobicContact CE1-CG 3.95Å; F22-R27 HydrophobicContact CD1-CB 4.32Å; F22-R27 HydrophobicContact CE1-CB 4.15Å; P23-R27 PolarHBondContact O-N 3.45Å; Q24-R27 PolarHBondContact O-N 3.31Å; R27-A31 PolarHBondContact NH1-O 3.25Å; R27-A31 VanDerWaalsContact O-CA 3.3Å; R27-A31 WeakPolarHBondContact O-CA 3.39Å; R27-A31 WeakPolarHBondContact O-CB 3.49Å; R27-A31 PolarHBondContact O-N 2.87Å; R27-E35 IonicContact CZ-OE1 3.58Å; R27-E35 IonicContact NH1-OE1 3.34Å; R27-E35 PolarHBondContact NH1-OE1 3.18Å; R27-E35 IonicContact NH2-OE1 3.86Å; R27-E35 PolarHBondContact NH2-OE1 2.92Å; R27-E106 WeakPolarHBondContact CD-OE1 3.49Å; R27-E106 IonicContact CZ-OE1 3.45Å; R27-E106 IonicContact CZ-OE2 3.69Å; R27-E106 IonicContact NE-OE1 3.46Å; R27-E106 PolarHBondContact NE-OE1 2.86Å; R27-E106 IonicContact NE-OE2 2.73Å; R27-E106 PolarHBondContact NE-OE2 3.48Å; R27-E106 IonicContact NH2-OE1 2.77Å; R27-E106 IonicContact NH2-OE2 3.84Å; R27-E106 PolarHBondContact NH2-OE2 3.38Å
28H88.1Confident87.1Confident107 Ų10742.5 Ų42.550%0.49522%0.223SC..Hα-helixtrans-71-50.2173.1-179.915.2000112.5W4 Q24 H25 L26 L30 A31W4-H28 AromaticContact CD1-ND1 3.9Å; W4-H28 HydrophobicContact CZ2-CB 3.66Å; W4-H28 AromaticContact NE1-CE1 3.98Å; W4-H28 AromaticContact NE1-CG 3.66Å; W4-H28 AromaticContact NE1-ND1 3.2Å; W4-H28 PolarHBondContact NE1-ND1 3.33Å; Q24-H28 PolarHBondContact O-N 3.48Å; H25-H28 PolarHBondContact O-N 3.03Å; L26-H28 PolarHBondContact O-N 2.93Å; H28-L30 VanDerWaalsContact C-N 3.28Å; H28-L30 PolarHBondContact O-N 2.94Å; H28-A31 VanDerWaalsContact O-CB 3.26Å; H28-A31 WeakPolarHBondContact O-CB 3.42Å; H28-A31 PolarHBondContact O-N 3.17Å
29L86.9Confident87.5Confident56 Ų5640.3 Ų40.329%0.29321%0.212SC..Hα-helixtrans-59.9-38.4-178.2-77170.8000112.5H25 L26 I77H25-L29 WeakPolarHBondContact O-CG 3.47Å; H25-L29 PolarHBondContact O-N 3.05Å; L26-L29 HydrophobicContact CD2-CD1 4.41Å; L26-L29 PolarHBondContact O-N 3.5Å; L29-I77 HydrophobicContact CD1-CD1 4.34Å
30L88.8Confident87.6Confident6 Ų639.5 Ų39.53%0.03121%0.209CC..THydrogen-bonded Turntrans-95.514.6-178.2-58.7176.9000113.3F22 L26 H28 D32 W33 L34 T60 R63 L64F22-L30 HydrophobicContact CZ-CD1 4.42Å; L26-L30 WeakPolarHBondContact O-CB 3.44Å; L26-L30 PolarHBondContact O-N 3.2Å; H28-L30 VanDerWaalsContact C-N 3.28Å; H28-L30 PolarHBondContact O-N 2.94Å; L30-D32 PolarHBondContact O-N 2.84Å; L30-W33 HydrophobicContact CB-CE3 4.45Å; L30-W33 PolarHBondContact O-N 3.36Å; L30-L34 HydrophobicContact CB-CD1 3.77Å; L30-L34 HydrophobicContact CB-CD2 4.49Å; L30-L34 HydrophobicContact CB-CG 3.7Å; L30-L34 HydrophobicContact CD1-CD1 4.46Å; L30-L34 HydrophobicContact CD1-CD2 4.43Å; L30-L34 HydrophobicContact CD1-CG 4.45Å; L30-L34 PolarHBondContact O-N 3.45Å; L30-T60 HydrophobicContact CD1-CG2 3.85Å; L30-R63 HydrophobicContact CD2-CB 3.71Å; L30-L64 HydrophobicContact CD1-CD1 4.36Å; L30-L64 HydrophobicContact CD1-CD2 3.89Å; L30-L64 HydrophobicContact CD1-CG 3.99Å; L30-L64 HydrophobicContact CD2-CD2 3.94Å; L30-L64 HydrophobicContact CD2-CG 4.23Å; L30-L64 HydrophobicContact CG-CD2 3.89Å; L30-L64 HydrophobicContact CG-CG 4.4Å
31A88Confident88Confident8 Ų835.4 Ų35.47%0.06618%0.181CC..Hα-helixtrans-55.5-56.5-156.500000115.6W4 R27 H28 W33 L34 E35W4-A31 HydrophobicContact CB-CB 3.85Å; W4-A31 HydrophobicContact CD2-CB 4.4Å; W4-A31 HydrophobicContact CG-CB 3.74Å; R27-A31 PolarHBondContact NH1-O 3.25Å; R27-A31 VanDerWaalsContact O-CA 3.3Å; R27-A31 WeakPolarHBondContact O-CA 3.39Å; R27-A31 WeakPolarHBondContact O-CB 3.49Å; R27-A31 PolarHBondContact O-N 2.87Å; H28-A31 VanDerWaalsContact O-CB 3.26Å; H28-A31 WeakPolarHBondContact O-CB 3.42Å; H28-A31 PolarHBondContact O-N 3.17Å; A31-W33 PolarHBondContact O-N 3.2Å; A31-L34 PolarHBondContact O-N 2.96Å; A31-E35 WeakPolarHBondContact O-CG 3.47Å; A31-E35 PolarHBondContact O-N 2.94Å; A31-E35 VanDerWaalsContact O-N 3.17Å
32D86Confident88.4Confident104 Ų10431.4 Ų31.456%0.55616%0.16SC*.Hα-helixtrans-68.7-23.4-177.8-60.7-55.4000113S2 L30 S36 K124S2-D32 WeakPolarHBondContact CB-OD1 3.26Å; S2-D32 PolarHBondContact OG-OD1 3.41Å; L30-D32 PolarHBondContact O-N 2.84Å; D32-S36 PolarHBondContact O-N 3.41Å; D32-K124 PolarHBondContact O-NZ 2.9Å
33W90.4Very high88.1Confident38 Ų3835.8 Ų35.814%0.14419%0.187CC..Hα-helixtrans-81.5-42.2178-179.182.1000112.6L30 A31 E35 S36 Q37 W39 A59 T60 R63L30-W33 HydrophobicContact CB-CE3 4.45Å; L30-W33 PolarHBondContact O-N 3.36Å; A31-W33 PolarHBondContact O-N 3.2Å; W33-E35 VanDerWaalsContact C-N 3.29Å; W33-E35 PolarHBondContact O-N 3.36Å; W33-S36 CarbonylContact O-C 3.49Å; W33-S36 WeakPolarHBondContact O-CA 3.33Å; W33-S36 PolarHBondContact O-N 3.16Å; W33-S36 PolarHBondContact O-OG 2.85Å; W33-Q37 HydrophobicContact CD2-CG 4.25Å; W33-Q37 VanDerWaalsContact CE2-NE2 3.27Å; W33-Q37 HydrophobicContact CE3-CG 4.34Å; W33-Q37 HydrophobicContact CH2-CG 3.88Å; W33-Q37 HydrophobicContact CZ2-CG 3.77Å; W33-Q37 HydrophobicContact CZ3-CG 4.18Å; W33-Q37 WeakPolarHBondContact O-CG 3.43Å; W33-Q37 PolarHBondContact O-N 3.18Å; W33-Q37 PolarHBondContact O-NE2 2.9Å; W33-W39 HydrophobicContact CH2-CZ2 4.35Å; W33-W39 HydrophobicContact CZ3-CZ2 4.16Å; W33-A59 HydrophobicContact CH2-CB 4.12Å; W33-A59 HydrophobicContact CZ2-CB 3.69Å; W33-T60 VanDerWaalsContact CH2-OG1 3.31Å; W33-T60 WeakPolarHBondContact CH2-OG1 3.41Å; W33-T60 HydrophobicContact CZ3-CG2 4.45Å; W33-T60 WeakPolarHBondContact CZ3-OG1 3.38Å; W33-R63 HydrophobicContact CD2-CG 4.34Å
34L90.8Very high87.8Confident1 Ų135.4 Ų35.41%0.00519%0.191CC..Hα-helixtrans-61.5-41.7172.8-71.7173000110.3F22 L30 A31 S36 Q37 W39 I99F22-L34 HydrophobicContact CE1-CD1 4.11Å; F22-L34 HydrophobicContact CZ-CD1 4.49Å; L30-L34 HydrophobicContact CB-CD1 3.77Å; L30-L34 HydrophobicContact CB-CD2 4.49Å; L30-L34 HydrophobicContact CB-CG 3.7Å; L30-L34 HydrophobicContact CD1-CD1 4.46Å; L30-L34 HydrophobicContact CD1-CD2 4.43Å; L30-L34 HydrophobicContact CD1-CG 4.45Å; L30-L34 PolarHBondContact O-N 3.45Å; A31-L34 PolarHBondContact O-N 2.96Å; L34-S36 PolarHBondContact O-N 2.78Å; L34-S36 VanDerWaalsContact O-N 3.13Å; L34-Q37 PolarHBondContact O-N 3.4Å; L34-W39 HydrophobicContact CD2-CZ2 3.68Å; L34-W39 VanDerWaalsContact O-CD1 3.31Å; L34-W39 PolarHBondContact O-NE1 3.49Å; L34-I99 HydrophobicContact CD2-CD1 4.48Å; L34-I99 HydrophobicContact CD2-CG2 4.32Å
35E89.7Confident87.5Confident3 Ų336.7 Ų36.71%0.01421%0.209CC..THydrogen-bonded Turntrans-68.9-0.2171.5-68.7176.2-143.100113.7S2 L3 W4 R27 A31 W33 L103 F121 K124S2-E35 WeakPolarHBondContact CB-OE2 3.28Å; L3-E35 HydrophobicContact CB-CG 4.42Å; L3-E35 WeakPolarHBondContact CB-OE2 3.36Å; L3-E35 PolarHBondContact N-OE2 3.48Å; W4-E35 WeakPolarHBondContact CB-OE1 3.42Å; W4-E35 PolarHBondContact N-OE1 3.05Å; R27-E35 IonicContact CZ-OE1 3.58Å; R27-E35 IonicContact NH1-OE1 3.34Å; R27-E35 PolarHBondContact NH1-OE1 3.18Å; R27-E35 IonicContact NH2-OE1 3.86Å; R27-E35 PolarHBondContact NH2-OE1 2.92Å; A31-E35 WeakPolarHBondContact O-CG 3.47Å; A31-E35 PolarHBondContact O-N 2.94Å; A31-E35 VanDerWaalsContact O-N 3.17Å; W33-E35 VanDerWaalsContact C-N 3.29Å; W33-E35 PolarHBondContact O-N 3.36Å; E35-L103 HydrophobicContact CG-CD2 4.34Å; E35-F121 HydrophobicContact CB-CE2 4.46Å; E35-F121 HydrophobicContact CG-CE2 4.3Å; E35-K124 VanDerWaalsContact O-CD 3.25Å; E35-K124 WeakPolarHBondContact O-CD 3.47Å; E35-K124 WeakPolarHBondContact O-CE 3.39Å; E35-K124 PolarHBondContact O-NZ 3.01Å
36S89.4Confident87.6Confident40 Ų4035.1 Ų35.128%0.2820%0.203SC..THydrogen-bonded Turntrans-115.614.9175.2850000114.2D32 W33 L34 L128D32-S36 PolarHBondContact O-N 3.41Å; W33-S36 CarbonylContact O-C 3.49Å; W33-S36 WeakPolarHBondContact O-CA 3.33Å; W33-S36 PolarHBondContact O-N 3.16Å; W33-S36 PolarHBondContact O-OG 2.85Å; L34-S36 PolarHBondContact O-N 2.78Å; L34-S36 VanDerWaalsContact O-N 3.13Å; S36-L128 WeakPolarHBondContact O-CD2 3.42Å
37Q93Very high87.6Confident33 Ų3337.4 Ų37.415%0.15422%0.222CC..SBendtrans-114.6154.4174.2-47.9-47-56.500111.5W33 L34 W39 L56W33-Q37 HydrophobicContact CD2-CG 4.25Å; W33-Q37 VanDerWaalsContact CE2-NE2 3.27Å; W33-Q37 HydrophobicContact CE3-CG 4.34Å; W33-Q37 HydrophobicContact CH2-CG 3.88Å; W33-Q37 HydrophobicContact CZ2-CG 3.77Å; W33-Q37 HydrophobicContact CZ3-CG 4.18Å; W33-Q37 WeakPolarHBondContact O-CG 3.43Å; W33-Q37 PolarHBondContact O-N 3.18Å; W33-Q37 PolarHBondContact O-NE2 2.9Å; L34-Q37 PolarHBondContact O-N 3.4Å; Q37-W39 HydrophobicContact CB-CD2 4.25Å; Q37-W39 HydrophobicContact CB-CG 4.46Å; Q37-W39 HydrophobicContact CB-CZ2 3.96Å; Q37-W39 HydrophobicContact CG-CZ2 3.95Å; Q37-W39 PolarHBondContact O-N 3.04Å; Q37-L56 HydrophobicContact CB-CD2 3.74Å; Q37-L56 HydrophobicContact CG-CD2 3.73Å
38P91.8Very high87.7Confident12 Ų1237.9 Ų37.98%0.07823%0.225CC..  trans-83.537.6-170.434.8-38000114.9E40 F41 L42 L128 T132P38-E40 PolarHBondContact O-N 3.33Å; P38-F41 HydrophobicContact CB-CD2 4.05Å; P38-F41 PolarHBondContact O-N 3.02Å; P38-L42 HydrophobicContact CG-CD1 4.5Å; P38-L42 PolarHBondContact O-N 3.28Å; P38-L128 HydrophobicContact CB-CB 4.49Å; P38-L128 HydrophobicContact CB-CD2 4.33Å; P38-T132 HydrophobicContact CB-CG2 4.48Å; P38-T132 WeakPolarHBondContact CB-OG1 3.44Å
39W91.9Very high87.8Confident1 Ų132.8 Ų32.80%0.00420%0.201CC..THydrogen-bonded Turntrans-51-36.1-173.5-51109.4000114.2W33 L34 Q37 L56 L95 V96 I99 R100 L103W33-W39 HydrophobicContact CH2-CZ2 4.35Å; W33-W39 HydrophobicContact CZ3-CZ2 4.16Å; L34-W39 HydrophobicContact CD2-CZ2 3.68Å; L34-W39 VanDerWaalsContact O-CD1 3.31Å; L34-W39 PolarHBondContact O-NE1 3.49Å; Q37-W39 HydrophobicContact CB-CD2 4.25Å; Q37-W39 HydrophobicContact CB-CG 4.46Å; Q37-W39 HydrophobicContact CB-CZ2 3.96Å; Q37-W39 HydrophobicContact CG-CZ2 3.95Å; Q37-W39 PolarHBondContact O-N 3.04Å; W39-L56 HydrophobicContact CE3-CD1 4.06Å; W39-L56 HydrophobicContact CH2-CB 3.85Å; W39-L56 HydrophobicContact CH2-CD1 4.35Å; W39-L56 HydrophobicContact CH2-CD2 4.43Å; W39-L56 HydrophobicContact CH2-CG 4.45Å; W39-L56 HydrophobicContact CZ3-CB 3.86Å; W39-L56 HydrophobicContact CZ3-CD1 3.88Å; W39-L56 HydrophobicContact CZ3-CG 4.38Å; W39-L95 HydrophobicContact CH2-CD2 4.46Å; W39-L95 HydrophobicContact CZ3-CG 4.42Å; W39-V96 HydrophobicContact CE3-CB 4.26Å; W39-V96 HydrophobicContact CE3-CG1 4.38Å; W39-V96 HydrophobicContact CE3-CG2 3.95Å; W39-V96 HydrophobicContact CZ3-CG2 4.01Å; W39-I99 HydrophobicContact CB-CG2 4.47Å; W39-I99 HydrophobicContact CD2-CB 3.97Å; W39-I99 HydrophobicContact CD2-CG2 3.7Å; W39-I99 HydrophobicContact CE3-CB 4.24Å; W39-I99 HydrophobicContact CE3-CG2 4.45Å; W39-I99 HydrophobicContact CG-CB 4.23Å; W39-I99 HydrophobicContact CG-CG2 3.7Å; W39-I99 HydrophobicContact CZ2-CG2 4.3Å; W39-R100 HydrophobicContact CB-CB 4.46Å; W39-L103 HydrophobicContact CG-CD1 4.31Å
40E88.7Confident88Confident4 Ų435.1 Ų35.12%0.01921%0.207CC..THydrogen-bonded Turntrans-78.2-17.9-178.7-53.5-160.8171.200114.2P38 V43 R100 K107 Q125P38-E40 PolarHBondContact O-N 3.33Å; E40-V43 WeakPolarHBondContact O-CG2 3.4Å; E40-R100 HydrophobicContact CG-CG 4.3Å; E40-K107 WeakPolarHBondContact OE1-CE 3.44Å; E40-K107 IonicContact OE1-NZ 2.63Å; E40-K107 PolarHBondContact OE1-NZ 3.32Å; E40-K107 IonicContact OE2-NZ 3.8Å; E40-K107 PolarHBondContact OE2-NZ 3.41Å; E40-Q125 PolarHBondContact OE2-OE1 3.44Å
41F88.9Confident88.2Confident27 Ų2739.1 Ų39.112%0.11823%0.228CC..THydrogen-bonded Turntrans-100.7-2.9-176-48.8-57.4000112.7P38 V43 Q125 L128 K129 T132P38-F41 HydrophobicContact CB-CD2 4.05Å; P38-F41 PolarHBondContact O-N 3.02Å; F41-V43 PolarHBondContact O-N 2.97Å; F41-Q125 WeakPolarHBondContact CE2-O 3.33Å; F41-Q125 HydrophobicContact CZ-CB 4.46Å; F41-Q125 WeakPolarHBondContact CZ-O 3.43Å; F41-L128 HydrophobicContact CD2-CB 4.07Å; F41-L128 HydrophobicContact CE2-CB 3.72Å; F41-K129 HydrophobicContact CD1-CB 3.97Å; F41-K129 HydrophobicContact CD1-CD 4.34Å; F41-K129 HydrophobicContact CD1-CG 3.96Å; F41-K129 HydrophobicContact CD2-CB 4.2Å; F41-K129 HydrophobicContact CE1-CB 3.75Å; F41-K129 HydrophobicContact CE1-CD 4.15Å; F41-K129 HydrophobicContact CE1-CG 4.03Å; F41-K129 HydrophobicContact CE2-CB 3.99Å; F41-K129 HydrophobicContact CG-CB 4.21Å; F41-K129 HydrophobicContact CG-CG 4.42Å; F41-K129 HydrophobicContact CZ-CB 3.77Å; F41-T132 HydrophobicContact CB-CG2 3.95Å
42L88.3Confident88.3Confident4 Ų441.7 Ų41.72%0.02124%0.239CC..  trans-95.676.7172-63.3179000109.8P38 F48 M52 L56 V96 R100 T132P38-L42 HydrophobicContact CG-CD1 4.5Å; P38-L42 PolarHBondContact O-N 3.28Å; L42-F48 HydrophobicContact CD2-CE1 4.13Å; L42-M52 HydrophobicContact CD1-CB 4.22Å; L42-M52 HydrophobicContact CD1-CG 3.77Å; L42-M52 HydrophobicContact CD2-CB 4.09Å; L42-M52 HydrophobicContact CD2-CG 3.98Å; L42-M52 HydrophobicContact CG-CG 4.49Å; L42-L56 HydrophobicContact CD1-CD1 3.59Å; L42-V96 HydrophobicContact CB-CG1 3.7Å; L42-V96 HydrophobicContact CD1-CG1 4.25Å; L42-V96 HydrophobicContact CD1-CG2 4.2Å; L42-R100 PolarHBondContact O-NH1 3.2Å; L42-T132 HydrophobicContact CD2-CG2 4.12Å
43V77.9Confident88.7Confident93 Ų9336.8 Ų36.856%0.56421%0.213SC*.  trans-101.8-21.7-174.2-172.80000113.1E40 F41E40-V43 WeakPolarHBondContact O-CG2 3.4Å; F41-V43 PolarHBondContact O-N 2.97Å
44G78.9Confident88.7Confident36 Ų3637.2 Ų37.237%0.37122%0.222SC..SBendtrans-93170.117900000114.5C49G44-C49 WeakPolarHBondContact O-CB 3.49Å; G44-C49 PolarHBondContact O-SG 2.9Å
45S80.8Confident88.8Confident109 Ų10939.8 Ų39.876%0.76224%0.244SC*.  trans-108.323173.857.20000113.1
46D85.6Confident89Confident52 Ų5240 Ų4028%0.27825%0.245SC..SBendtrans-74.6165.2177.266.5-8000112.3F48 C49 Y50 R136D46-F48 PolarHBondContact O-N 3.47Å; D46-F48 VanDerWaalsContact O-N 3.17Å; D46-C49 PolarHBondContact O-N 2.93Å; D46-C49 WeakPolarHBondContact OD1-CB 3.48Å; D46-C49 PolarHBondContact OD1-N 3.33Å; D46-C49 VanDerWaalsContact OD1-N 3.08Å; D46-C49 PolarHBondContact OD1-SG 3.29Å; D46-Y50 PolarHBondContact O-N 3.26Å; D46-R136 IonicContact OD1-NH1 2.74Å; D46-R136 PolarHBondContact OD1-NH1 3.04Å; D46-R136 IonicContact OD2-CZ 2.66Å; D46-R136 IonicContact OD2-NH1 3.46Å; D46-R136 PolarHBondContact OD2-NH1 3.23Å
47A87.8Confident89.2Confident50 Ų5038.8 Ų38.841%0.41324%0.235SC..Hα-helixtrans-54.9-36.7-17800000112.2Y50 N51A47-Y50 PolarHBondContact O-N 2.9Å; A47-N51 VanDerWaalsContact O-CB 3.25Å; A47-N51 WeakPolarHBondContact O-CB 3.32Å; A47-N51 PolarHBondContact O-N 3.25Å; A47-N51 PolarHBondContact O-ND2 3.15Å; A47-N51 VanDerWaalsContact O-ND2 3.1Å
48F90.9Very high89.1Confident11 Ų1140.6 Ų40.65%0.04825%0.251CS..Hα-helixtrans-58.7-51.3172.5173.6-97.5000112.5L42 D46 Y50 N51 M52 T132 G135 R136 H139L42-F48 HydrophobicContact CD2-CE1 4.13Å; D46-F48 PolarHBondContact O-N 3.47Å; D46-F48 VanDerWaalsContact O-N 3.17Å; F48-Y50 PolarHBondContact O-N 3.42Å; F48-N51 PolarHBondContact O-N 3.47Å; F48-M52 HydrophobicContact CE2-CE 3.95Å; F48-M52 HydrophobicContact CZ-CE 3.85Å; F48-M52 WeakPolarHBondContact O-CB 3.46Å; F48-M52 PolarHBondContact O-N 2.92Å; F48-T132 HydrophobicContact CE1-CG2 4.05Å; F48-T132 HydrophobicContact CZ-CG2 4.29Å; F48-G135 WeakPolarHBondContact CE2-O 3.44Å; F48-R136 HydrophobicContact CD1-CB 3.87Å; F48-R136 HydrophobicContact CD1-CG 3.98Å; F48-R136 HydrophobicContact CD2-CB 4.43Å; F48-R136 HydrophobicContact CE1-CB 3.8Å; F48-R136 HydrophobicContact CE1-CG 4.39Å; F48-R136 HydrophobicContact CE2-CB 4.38Å; F48-R136 HydrophobicContact CG-CB 4.18Å; F48-R136 HydrophobicContact CG-CG 4.21Å; F48-R136 HydrophobicContact CZ-CB 4.06Å; F48-H139 HydrophobicContact CB-CB 4.28Å; F48-H139 HydrophobicContact CD2-CB 3.81Å; F48-H139 AromaticContact CD2-CD2 3.92Å; F48-H139 HydrophobicContact CG-CB 4.4Å
49C90.2Very high89.2Confident0 Ų041.3 Ų41.30%026%0.258CS..Hα-helixtrans-61.6-43.1177.7-79.80000112.2G44 D46 M52 A53 L93 R136G44-C49 WeakPolarHBondContact O-CB 3.49Å; G44-C49 PolarHBondContact O-SG 2.9Å; D46-C49 PolarHBondContact O-N 2.93Å; D46-C49 WeakPolarHBondContact OD1-CB 3.48Å; D46-C49 PolarHBondContact OD1-N 3.33Å; D46-C49 VanDerWaalsContact OD1-N 3.08Å; D46-C49 PolarHBondContact OD1-SG 3.29Å; C49-M52 PolarHBondContact O-N 3.46Å; C49-A53 WeakPolarHBondContact O-CB 3.22Å; C49-A53 PolarHBondContact O-N 3.08Å; C49-L93 HydrophobicContact CB-CD2 4.03Å; C49-R136 PolarHBondContact SG-NH2 2.96Å
50Y90.8Very high89.1Confident105 Ų10541.3 Ų41.341%0.41226%0.258SS..Hα-helixtrans-63.4-46.5178.7-174-90.9000112D46 A47 F48 M52 A53 S54 P92D46-Y50 PolarHBondContact O-N 3.26Å; A47-Y50 PolarHBondContact O-N 2.9Å; F48-Y50 PolarHBondContact O-N 3.42Å; Y50-M52 PolarHBondContact O-N 3.47Å; Y50-A53 PolarHBondContact O-N 3.35Å; Y50-S54 WeakPolarHBondContact O-CB 3.46Å; Y50-S54 PolarHBondContact O-N 2.86Å; Y50-P92 HydrophobicContact CE2-CG 4.38Å
51N91.4Very high89.1Confident91 Ų9141.6 Ų41.649%0.48726%0.261SS..Hα-helixtrans-60.8-44.1176.9-72.3-26.3000111.6A47 F48 A55A47-N51 VanDerWaalsContact O-CB 3.25Å; A47-N51 WeakPolarHBondContact O-CB 3.32Å; A47-N51 PolarHBondContact O-N 3.25Å; A47-N51 PolarHBondContact O-ND2 3.15Å; A47-N51 VanDerWaalsContact O-ND2 3.1Å; F48-N51 PolarHBondContact O-N 3.47Å; N51-A55 WeakPolarHBondContact O-CB 3.46Å; N51-A55 PolarHBondContact O-N 3.21Å
52M92Very high89.2Confident61 Ų6146.4 Ų46.430%0.328%0.283SS..Hα-helixtrans-66.1-42.1176.7-169.464.369.300112L42 F48 C49 Y50 A55 L56L42-M52 HydrophobicContact CD1-CB 4.22Å; L42-M52 HydrophobicContact CD1-CG 3.77Å; L42-M52 HydrophobicContact CD2-CB 4.09Å; L42-M52 HydrophobicContact CD2-CG 3.98Å; L42-M52 HydrophobicContact CG-CG 4.49Å; F48-M52 HydrophobicContact CE2-CE 3.95Å; F48-M52 HydrophobicContact CZ-CE 3.85Å; F48-M52 WeakPolarHBondContact O-CB 3.46Å; F48-M52 PolarHBondContact O-N 2.92Å; C49-M52 PolarHBondContact O-N 3.46Å; Y50-M52 PolarHBondContact O-N 3.47Å; M52-A55 PolarHBondContact O-N 3.09Å; M52-L56 HydrophobicContact CG-CD1 4.15Å; M52-L56 WeakPolarHBondContact O-CB 3.37Å; M52-L56 VanDerWaalsContact O-CG 3.28Å; M52-L56 WeakPolarHBondContact O-CG 3.42Å; M52-L56 PolarHBondContact O-N 2.95Å
53A92.9Very high89.1Confident1 Ų152.6 Ų52.61%0.00831%0.306CS..Hα-helixtrans-64.5-40.7178.400000112.3C49 Y50 L56 L57 P92 L93 V96C49-A53 WeakPolarHBondContact O-CB 3.22Å; C49-A53 PolarHBondContact O-N 3.08Å; Y50-A53 PolarHBondContact O-N 3.35Å; A53-L56 PolarHBondContact O-N 3.24Å; A53-L57 WeakPolarHBondContact O-CB 3.37Å; A53-L57 PolarHBondContact O-N 3.43Å; A53-P92 HydrophobicContact CB-CB 3.75Å; A53-L93 HydrophobicContact CB-CD2 3.79Å; A53-L93 HydrophobicContact CB-CG 4.35Å; A53-V96 HydrophobicContact CB-CG2 3.61Å
54S91.9Very high89.5Confident47 Ų4748.1 Ų48.133%0.32928%0.279SS..Hα-helixtrans-63.6-41.7174.1-173.70000112.4Y50 L57 S58Y50-S54 WeakPolarHBondContact O-CB 3.46Å; Y50-S54 PolarHBondContact O-N 2.86Å; S54-L57 PolarHBondContact O-N 2.99Å; S54-S58 WeakPolarHBondContact O-CB 3.43Å; S54-S58 PolarHBondContact O-N 2.98Å; S54-S58 PolarHBondContact O-OG 3.35Å
55A93Very high89.8Confident55 Ų5550.9 Ų50.946%0.45528%0.283SS..Hα-helixtrans-63.9-40.5172.900000112.3N51 M52 S58 A59N51-A55 WeakPolarHBondContact O-CB 3.46Å; N51-A55 PolarHBondContact O-N 3.21Å; M52-A55 PolarHBondContact O-N 3.09Å; A55-S58 PolarHBondContact O-N 3.17Å; A55-A59 WeakPolarHBondContact O-CB 3.5Å; A55-A59 PolarHBondContact O-N 2.99Å
56L93.6Very high90Very high9 Ų949.7 Ų49.75%0.04727%0.271CS..Hα-helixtrans-67.9-39.5177.2-74.7172.3000112.9Q37 W39 L42 M52 A53 A59 T60Q37-L56 HydrophobicContact CB-CD2 3.74Å; Q37-L56 HydrophobicContact CG-CD2 3.73Å; W39-L56 HydrophobicContact CE3-CD1 4.06Å; W39-L56 HydrophobicContact CH2-CB 3.85Å; W39-L56 HydrophobicContact CH2-CD1 4.35Å; W39-L56 HydrophobicContact CH2-CD2 4.43Å; W39-L56 HydrophobicContact CH2-CG 4.45Å; W39-L56 HydrophobicContact CZ3-CB 3.86Å; W39-L56 HydrophobicContact CZ3-CD1 3.88Å; W39-L56 HydrophobicContact CZ3-CG 4.38Å; L42-L56 HydrophobicContact CD1-CD1 3.59Å; M52-L56 HydrophobicContact CG-CD1 4.15Å; M52-L56 WeakPolarHBondContact O-CB 3.37Å; M52-L56 VanDerWaalsContact O-CG 3.28Å; M52-L56 WeakPolarHBondContact O-CG 3.42Å; M52-L56 PolarHBondContact O-N 2.95Å; A53-L56 PolarHBondContact O-N 3.24Å; L56-A59 PolarHBondContact O-N 3.29Å; L56-T60 WeakPolarHBondContact O-CB 3.42Å; L56-T60 PolarHBondContact O-N 3.42Å; L56-T60 PolarHBondContact O-OG1 2.94Å
57L92.4Very high89.6Confident14 Ų1449 Ų497%0.07327%0.269CS..Hα-helixtrans-58.3-50.1170.1171.962000110.5A53 S54 A59 T60 V61 Y88 P92 L95A53-L57 WeakPolarHBondContact O-CB 3.37Å; A53-L57 PolarHBondContact O-N 3.43Å; S54-L57 PolarHBondContact O-N 2.99Å; L57-A59 PolarHBondContact O-N 3.49Å; L57-T60 WeakPolarHBondContact O-CB 3.31Å; L57-T60 PolarHBondContact O-N 3.44Å; L57-T60 VanDerWaalsContact O-N 3.16Å; L57-V61 HydrophobicContact CD1-CG2 4.35Å; L57-V61 WeakPolarHBondContact O-CG2 3.22Å; L57-V61 PolarHBondContact O-N 2.68Å; L57-Y88 WeakPolarHBondContact CD2-O 3.3Å; L57-P92 HydrophobicContact CD2-CB 4.44Å; L57-P92 HydrophobicContact CD2-CG 4.33Å; L57-L95 HydrophobicContact CB-CD2 4.07Å; L57-L95 HydrophobicContact CD1-CD2 3.8Å
58S92.2Very high88.9Confident70 Ų7047.1 Ų47.149%0.4925%0.254SS..Hα-helixtrans-59.6-43.7179.6-55.60000112.1S54 A55 V61 Q62S54-S58 WeakPolarHBondContact O-CB 3.43Å; S54-S58 PolarHBondContact O-N 2.98Å; S54-S58 PolarHBondContact O-OG 3.35Å; A55-S58 PolarHBondContact O-N 3.17Å; S58-V61 PolarHBondContact O-N 3.5Å; S58-Q62 WeakPolarHBondContact O-CB 3.28Å; S58-Q62 PolarHBondContact O-N 3.34Å
59A92.8Very high87.6Confident27 Ų2749.6 Ų49.622%0.22328%0.283CS..Hα-helixtrans-68.3-34.6176.400000112.9W33 A55 L56 L57 R63W33-A59 HydrophobicContact CH2-CB 4.12Å; W33-A59 HydrophobicContact CZ2-CB 3.69Å; A55-A59 WeakPolarHBondContact O-CB 3.5Å; A55-A59 PolarHBondContact O-N 2.99Å; L56-A59 PolarHBondContact O-N 3.29Å; L57-A59 PolarHBondContact O-N 3.49Å; A59-R63 WeakPolarHBondContact O-CB 3.38Å; A59-R63 WeakPolarHBondContact O-CG 3.25Å; A59-R63 PolarHBondContact O-N 3.46Å
60T90.2Very high86.3Confident1 Ų156 Ų561%0.00632%0.317CS..Hα-helixtrans-63.1-48.1174.1-57.20000110.4L30 W33 L56 L57 R63 L64L30-T60 HydrophobicContact CD1-CG2 3.85Å; W33-T60 VanDerWaalsContact CH2-OG1 3.31Å; W33-T60 WeakPolarHBondContact CH2-OG1 3.41Å; W33-T60 HydrophobicContact CZ3-CG2 4.45Å; W33-T60 WeakPolarHBondContact CZ3-OG1 3.38Å; L56-T60 WeakPolarHBondContact O-CB 3.42Å; L56-T60 PolarHBondContact O-N 3.42Å; L56-T60 PolarHBondContact O-OG1 2.94Å; L57-T60 WeakPolarHBondContact O-CB 3.31Å; L57-T60 PolarHBondContact O-N 3.44Å; L57-T60 VanDerWaalsContact O-N 3.16Å; T60-R63 PolarHBondContact O-N 2.97Å; T60-L64 HydrophobicContact CG2-CD1 4.31Å; T60-L64 WeakPolarHBondContact O-CG 3.27Å; T60-L64 PolarHBondContact O-N 3.33Å
61V89Confident84.7Confident11 Ų1157 Ų577%0.06733%0.325CS..Hα-helixtrans-58.9-51.1175.5166.60000110.9L57 S58 R63 L64 Q65 I81 E85L57-V61 HydrophobicContact CD1-CG2 4.35Å; L57-V61 WeakPolarHBondContact O-CG2 3.22Å; L57-V61 PolarHBondContact O-N 2.68Å; S58-V61 PolarHBondContact O-N 3.5Å; V61-R63 VanDerWaalsContact C-N 3.33Å; V61-R63 PolarHBondContact O-N 2.88Å; V61-L64 PolarHBondContact O-N 2.93Å; V61-Q65 HydrophobicContact CG1-CG 4.37Å; V61-Q65 VanDerWaalsContact CG1-NE2 3.35Å; V61-Q65 WeakPolarHBondContact O-CG 3.37Å; V61-Q65 PolarHBondContact O-N 3.3Å; V61-I81 HydrophobicContact CG1-CG2 3.87Å; V61-I81 HydrophobicContact CG2-CG2 4.49Å; V61-E85 HydrophobicContact CG2-CG 3.76Å
62Q89.7Confident83.1Confident128 Ų12856.3 Ų56.360%0.59834%0.34SS*.Hα-helixtrans-59.1-42179.9-170.2-175.423.800112.4S58 Q65 T66S58-Q62 WeakPolarHBondContact O-CB 3.28Å; S58-Q62 PolarHBondContact O-N 3.34Å; Q62-Q65 PolarHBondContact O-N 3.07Å; Q62-T66 PolarHBondContact O-N 2.96Å; Q62-T66 PolarHBondContact O-OG1 3.31Å; Q62-T66 VanDerWaalsContact O-OG1 3.11Å
63R87.9Confident81.4Confident133 Ų13358.9 Ų58.950%0.50235%0.35SS..Hα-helixtrans-63-44.8176.6-75.5-75.2178.9165-2112L30 W33 A59 T60 V61 Q65 T66 C67L30-R63 HydrophobicContact CD2-CB 3.71Å; W33-R63 HydrophobicContact CD2-CG 4.34Å; A59-R63 WeakPolarHBondContact O-CB 3.38Å; A59-R63 WeakPolarHBondContact O-CG 3.25Å; A59-R63 PolarHBondContact O-N 3.46Å; T60-R63 PolarHBondContact O-N 2.97Å; V61-R63 VanDerWaalsContact C-N 3.33Å; V61-R63 PolarHBondContact O-N 2.88Å; R63-Q65 VanDerWaalsContact C-N 3.33Å; R63-Q65 PolarHBondContact O-N 3.47Å; R63-T66 PolarHBondContact O-N 2.92Å; R63-C67 PolarHBondContact O-N 3.47Å; R63-C67 PolarHBondContact O-SG 3.1Å; R63-C67 VanDerWaalsContact O-SG 3.34Å
64L86.4Confident79.9Confident0 Ų059.6 Ų59.60%036%0.357CS..Hα-helixtrans-64.5-37.4176.2-69.9173.1000112L26 L30 T60 V61 C67 A68 I77 I81 L84L26-L64 HydrophobicContact CD1-CD1 4.46Å; L26-L64 HydrophobicContact CD2-CD2 4.02Å; L30-L64 HydrophobicContact CD1-CD1 4.36Å; L30-L64 HydrophobicContact CD1-CD2 3.89Å; L30-L64 HydrophobicContact CD1-CG 3.99Å; L30-L64 HydrophobicContact CD2-CD2 3.94Å; L30-L64 HydrophobicContact CD2-CG 4.23Å; L30-L64 HydrophobicContact CG-CD2 3.89Å; L30-L64 HydrophobicContact CG-CG 4.4Å; T60-L64 HydrophobicContact CG2-CD1 4.31Å; T60-L64 WeakPolarHBondContact O-CG 3.27Å; T60-L64 PolarHBondContact O-N 3.33Å; V61-L64 PolarHBondContact O-N 2.93Å; L64-C67 PolarHBondContact O-N 2.88Å; L64-A68 WeakPolarHBondContact O-CB 3.26Å; L64-A68 PolarHBondContact O-N 3.22Å; L64-I77 HydrophobicContact CB-CG2 4.24Å; L64-I77 WeakPolarHBondContact O-CG2 3.4Å; L64-I81 HydrophobicContact CB-CD1 3.77Å; L64-I81 HydrophobicContact CB-CG1 3.68Å; L64-I81 HydrophobicContact CD1-CG1 4.19Å; L64-L84 HydrophobicContact CD1-CD1 3.54Å
65Q85.2Confident78.7Confident94 Ų9462 Ų6244%0.43937%0.373SS..Hα-helixtrans-62.2-40.2174.3-72171-6.800111.9V61 Q62 R63 A68 I81V61-Q65 HydrophobicContact CG1-CG 4.37Å; V61-Q65 VanDerWaalsContact CG1-NE2 3.35Å; V61-Q65 WeakPolarHBondContact O-CG 3.37Å; V61-Q65 PolarHBondContact O-N 3.3Å; Q62-Q65 PolarHBondContact O-N 3.07Å; R63-Q65 VanDerWaalsContact C-N 3.33Å; R63-Q65 PolarHBondContact O-N 3.47Å; Q65-A68 WeakPolarHBondContact O-CB 3.11Å; Q65-A68 PolarHBondContact O-N 2.9Å; Q65-I81 HydrophobicContact CB-CD1 4.5Å; Q65-I81 HydrophobicContact CG-CD1 3.75Å
66T83.4Confident77.9Confident84 Ų8462.5 Ų62.552%0.51537%0.371SS..Hα-helixtrans-63.3-49.7172.6-490000111.2Q62 R63 A68 G69Q62-T66 PolarHBondContact O-N 2.96Å; Q62-T66 PolarHBondContact O-OG1 3.31Å; Q62-T66 VanDerWaalsContact O-OG1 3.11Å; R63-T66 PolarHBondContact O-N 2.92Å; T66-A68 PolarHBondContact O-N 3.36Å; T66-G69 PolarHBondContact O-N 2.99Å
67C77.3Confident77.1Confident36 Ų3662.3 Ų62.324%0.24337%0.37CS..Hα-helixtrans-62-25.2178.4-64.30000113.8R63 L64 G69R63-C67 PolarHBondContact O-N 3.47Å; R63-C67 PolarHBondContact O-SG 3.1Å; R63-C67 VanDerWaalsContact O-SG 3.34Å; L64-C67 PolarHBondContact O-N 2.88Å; C67-G69 VanDerWaalsContact C-N 3.32Å
68A73.6Confident76.5Confident12 Ų1266 Ų6610%0.09939%0.389CS..Hα-helixtrans-68.9-28.4174.400000113.2L64 Q65 T66 I77L64-A68 WeakPolarHBondContact O-CB 3.26Å; L64-A68 PolarHBondContact O-N 3.22Å; Q65-A68 WeakPolarHBondContact O-CB 3.11Å; Q65-A68 PolarHBondContact O-N 2.9Å; T66-A68 PolarHBondContact O-N 3.36Å; A68-I77 HydrophobicContact CB-CB 4Å; A68-I77 HydrophobicContact CB-CG2 3.85Å
69G64.3Low75.9Confident63 Ų6369.1 Ų69.165%0.64940%0.396SS*.Hα-helixtrans-74.5-46.2177.700000113.3T66 C67 Q71T66-G69 PolarHBondContact O-N 2.99Å; C67-G69 VanDerWaalsContact C-N 3.32Å; G69-Q71 PolarHBondContact O-N 2.93Å
70D62.4Low75.3Confident135 Ų13571 Ų7172%0.72240%0.4SS*.Hα-helixtrans-76.9-20.1-169.7-64.2-27.7000114.8
71Q56.4Low75Confident124 Ų12471.1 Ų71.158%0.57940%0.401SS*.THydrogen-bonded Turntrans-111.61.4-163.8-76.5-75.4-30.700115.4G69 K73G69-Q71 PolarHBondContact O-N 2.93Å; Q71-K73 PolarHBondContact O-N 3.35Å
72G57.9Low74.7Confident77 Ų7774.1 Ų74.179%0.79442%0.422SS*.SBendtrans66.6-12.9-179.400000116.1G74G72-G74 PolarHBondContact O-N 2.95Å
73K57.2Low74.4Confident116 Ų11671.4 Ų71.450%0.50441%0.414SS..  trans-85.232.7175.7-64177.3-179.6174.60112.7Q71 S75 T76 I77Q71-K73 PolarHBondContact O-N 3.35Å; K73-S75 PolarHBondContact O-N 3.36Å; K73-T76 PolarHBondContact O-N 3.46Å; K73-T76 PolarHBondContact O-OG1 3.32Å; K73-I77 HydrophobicContact CB-CD1 4.32Å; K73-I77 PolarHBondContact O-N 3.06Å
74G62.2Low74.2Confident16 Ų1665.5 Ų65.517%0.16539%0.393CS..Hα-helixtrans-58.2-43.4-168.800000113.8G72 T76 I77 L78G72-G74 PolarHBondContact O-N 2.95Å; G74-T76 PolarHBondContact O-N 3.24Å; G74-I77 PolarHBondContact O-N 3.41Å; G74-L78 WeakPolarHBondContact O-CB 3.48Å; G74-L78 WeakPolarHBondContact O-CD1 3.41Å; G74-L78 WeakPolarHBondContact O-CG 3.36Å; G74-L78 PolarHBondContact O-N 2.9Å
75S66.3Low74.2Confident96 Ų9668.6 Ų68.667%0.67141%0.408SS*.Hα-helixtrans-61.3-44.7-17652.70000113.8K73 Q79K73-S75 PolarHBondContact O-N 3.36Å; S75-Q79 PolarHBondContact O-N 3.1Å
76T75.1Confident74.2Confident67 Ų6768.7 Ų68.741%0.41142%0.418SS..Hα-helixtrans-72.1-35.417946.60000112.2K73 G74 H80K73-T76 PolarHBondContact O-N 3.46Å; K73-T76 PolarHBondContact O-OG1 3.32Å; G74-T76 PolarHBondContact O-N 3.24Å; T76-H80 PolarHBondContact O-N 2.88Å; T76-H80 PolarHBondContact O-ND1 3.32Å
77I77.1Confident74.3Confident4 Ų468.2 Ų68.22%0.02141%0.412CS..Hα-helixtrans-69.8-40.7176.4-61.6169.8000110.4L29 L64 A68 K73 G74 Q79 H80 I81L29-I77 HydrophobicContact CD1-CD1 4.34Å; L64-I77 HydrophobicContact CB-CG2 4.24Å; L64-I77 WeakPolarHBondContact O-CG2 3.4Å; A68-I77 HydrophobicContact CB-CB 4Å; A68-I77 HydrophobicContact CB-CG2 3.85Å; K73-I77 HydrophobicContact CB-CD1 4.32Å; K73-I77 PolarHBondContact O-N 3.06Å; G74-I77 PolarHBondContact O-N 3.41Å; I77-Q79 PolarHBondContact O-N 2.97Å; I77-H80 PolarHBondContact O-N 3.15Å; I77-I81 HydrophobicContact CG2-CD1 4.02Å; I77-I81 WeakPolarHBondContact O-CG1 3.38Å; I77-I81 PolarHBondContact O-N 3.34Å
78L79.4Confident74.8Confident91 Ų9166.5 Ų66.548%0.47640%0.4SS..Hα-helixtrans-61.8-41.4174.3-72.2168.2000112.5G74 H80 I81 S82G74-L78 WeakPolarHBondContact O-CB 3.48Å; G74-L78 WeakPolarHBondContact O-CD1 3.41Å; G74-L78 WeakPolarHBondContact O-CG 3.36Å; G74-L78 PolarHBondContact O-N 2.9Å; L78-H80 VanDerWaalsContact C-N 3.33Å; L78-H80 PolarHBondContact O-N 2.87Å; L78-I81 HydrophobicContact CD2-CD1 4.19Å; L78-I81 WeakPolarHBondContact O-CB 3.28Å; L78-I81 PolarHBondContact O-N 3.02Å; L78-S82 PolarHBondContact O-N 3.11Å; L78-S82 PolarHBondContact O-OG 3.17Å
79Q80.6Confident75.5Confident136 Ų13672.6 Ų72.664%0.63643%0.427SS*.Hα-helixtrans-60.3-43.1174.5-172.1176.36.600111.7S75 I77 S82 T83S75-Q79 PolarHBondContact O-N 3.1Å; I77-Q79 PolarHBondContact O-N 2.97Å; Q79-S82 PolarHBondContact O-N 3.47Å; Q79-T83 PolarHBondContact O-N 2.92Å; Q79-T83 VanDerWaalsContact O-N 3.1Å; Q79-T83 PolarHBondContact O-OG1 3.14Å; Q79-T83 VanDerWaalsContact O-OG1 3.1Å
80H80.4Confident76.4Confident67 Ų6780.6 Ų80.631%0.3144%0.437SS..Hα-helixtrans-64.2-38.8174.7-76.390.4000112.6L26 T76 I77 L78 T83 L84L26-H80 HydrophobicContact CD1-CB 4.05Å; L26-H80 HydrophobicContact CD2-CB 4.34Å; T76-H80 PolarHBondContact O-N 2.88Å; T76-H80 PolarHBondContact O-ND1 3.32Å; I77-H80 PolarHBondContact O-N 3.15Å; L78-H80 VanDerWaalsContact C-N 3.33Å; L78-H80 PolarHBondContact O-N 2.87Å; H80-T83 PolarHBondContact O-N 3.42Å; H80-L84 WeakPolarHBondContact O-CG 3.34Å; H80-L84 PolarHBondContact O-N 3.14Å
81I82.8Confident77.6Confident4 Ų477.5 Ų77.52%0.02142%0.421CS..Hα-helixtrans-58.1-51.7175.3-72.3156.4000110.3V61 L64 Q65 I77 L78 T83 L84 E85V61-I81 HydrophobicContact CG1-CG2 3.87Å; V61-I81 HydrophobicContact CG2-CG2 4.49Å; L64-I81 HydrophobicContact CB-CD1 3.77Å; L64-I81 HydrophobicContact CB-CG1 3.68Å; L64-I81 HydrophobicContact CD1-CG1 4.19Å; Q65-I81 HydrophobicContact CB-CD1 4.5Å; Q65-I81 HydrophobicContact CG-CD1 3.75Å; I77-I81 HydrophobicContact CG2-CD1 4.02Å; I77-I81 WeakPolarHBondContact O-CG1 3.38Å; I77-I81 PolarHBondContact O-N 3.34Å; L78-I81 HydrophobicContact CD2-CD1 4.19Å; L78-I81 WeakPolarHBondContact O-CB 3.28Å; L78-I81 PolarHBondContact O-N 3.02Å; I81-T83 VanDerWaalsContact C-N 3.25Å; I81-T83 PolarHBondContact O-N 2.98Å; I81-L84 PolarHBondContact O-N 3.13Å; I81-L84 VanDerWaalsContact O-N 3.08Å; I81-E85 HydrophobicContact CG2-CG 4.35Å; I81-E85 WeakPolarHBondContact O-CG 3.38Å; I81-E85 PolarHBondContact O-N 2.8Å
82S83.3Confident79.2Confident73 Ų7371.7 Ų71.751%0.5139%0.394SS..Hα-helixtrans-62.6-31.2178.7-57.60000113.1L78 Q79 S86L78-S82 PolarHBondContact O-N 3.11Å; L78-S82 PolarHBondContact O-OG 3.17Å; Q79-S82 PolarHBondContact O-N 3.47Å; S82-S86 VanDerWaalsContact O-CB 3.26Å; S82-S86 WeakPolarHBondContact O-CB 3.14Å; S82-S86 PolarHBondContact O-N 2.97Å
83T84Confident80.8Confident71 Ų7169.9 Ų69.944%0.43637%0.366SS..Hα-helixtrans-68-45.2171.2-57.90000112.1Q79 H80 I81 S86 I87Q79-T83 PolarHBondContact O-N 2.92Å; Q79-T83 VanDerWaalsContact O-N 3.1Å; Q79-T83 PolarHBondContact O-OG1 3.14Å; Q79-T83 VanDerWaalsContact O-OG1 3.1Å; H80-T83 PolarHBondContact O-N 3.42Å; I81-T83 VanDerWaalsContact C-N 3.25Å; I81-T83 PolarHBondContact O-N 2.98Å; T83-S86 PolarHBondContact O-N 3.29Å; T83-I87 HydrophobicContact CG2-CD1 3.71Å; T83-I87 VanDerWaalsContact O-CG1 3.28Å; T83-I87 WeakPolarHBondContact O-CG1 3.06Å; T83-I87 PolarHBondContact O-N 3.34Å
84L83.4Confident82.3Confident9 Ų968.6 Ų68.65%0.04736%0.36CS..Hα-helixtrans-61.5-46.2176.1-69.1176.8000111.3F22 L26 L64 H80 I81 I87 Y88F22-L84 HydrophobicContact CD2-CD2 3.83Å; F22-L84 HydrophobicContact CE2-CD1 4.11Å; F22-L84 HydrophobicContact CE2-CD2 3.88Å; L26-L84 HydrophobicContact CD1-CD1 4.05Å; L64-L84 HydrophobicContact CD1-CD1 3.54Å; H80-L84 WeakPolarHBondContact O-CG 3.34Å; H80-L84 PolarHBondContact O-N 3.14Å; I81-L84 PolarHBondContact O-N 3.13Å; I81-L84 VanDerWaalsContact O-N 3.08Å; L84-I87 PolarHBondContact O-N 2.85Å; L84-Y88 HydrophobicContact CB-CD2 4.36Å; L84-Y88 HydrophobicContact CD2-CD2 3.99Å; L84-Y88 HydrophobicContact CD2-CE2 3.66Å; L84-Y88 WeakPolarHBondContact O-CB 3.37Å; L84-Y88 VanDerWaalsContact O-CD2 3.26Å; L84-Y88 WeakPolarHBondContact O-CD2 3.27Å; L84-Y88 PolarHBondContact O-N 3.39Å
85E85.3Confident83.7Confident66 Ų6668 Ų6831%0.30835%0.353SS..Hα-helixtrans-59.3-49.6175.8-69.4175.4130.100111.1V61 I81 I87 Y88 Q89V61-E85 HydrophobicContact CG2-CG 3.76Å; I81-E85 HydrophobicContact CG2-CG 4.35Å; I81-E85 WeakPolarHBondContact O-CG 3.38Å; I81-E85 PolarHBondContact O-N 2.8Å; E85-I87 VanDerWaalsContact C-N 3.27Å; E85-I87 PolarHBondContact O-N 3.17Å; E85-Y88 PolarHBondContact O-N 3.37Å; E85-Q89 WeakPolarHBondContact O-CB 3.49Å; E85-Q89 PolarHBondContact O-N 3.42Å
86S86.4Confident84.9Confident95 Ų9563.5 Ų63.566%0.66432%0.322SS*.Hα-helixtrans-63.7-26.6-179.9-174.50000114.5S82 T83S82-S86 VanDerWaalsContact O-CB 3.26Å; S82-S86 WeakPolarHBondContact O-CB 3.14Å; S82-S86 PolarHBondContact O-N 2.97Å; T83-S86 PolarHBondContact O-N 3.29Å
87I85.3Confident85.7Confident74 Ų7461.6 Ų61.638%0.37931%0.313SS..Hα-helixtrans-87.3-45178.8-66.7169.2000110.8T83 L84 E85T83-I87 HydrophobicContact CG2-CD1 3.71Å; T83-I87 VanDerWaalsContact O-CG1 3.28Å; T83-I87 WeakPolarHBondContact O-CG1 3.06Å; T83-I87 PolarHBondContact O-N 3.34Å; L84-I87 PolarHBondContact O-N 2.85Å; E85-I87 VanDerWaalsContact C-N 3.27Å; E85-I87 PolarHBondContact O-N 3.17Å
88Y87.4Confident86.4Confident1 Ų161.8 Ų61.80%0.00431%0.314CS..Hα-helixtrans-105.3-11.8-165.4-59-67.6000114.9D21 L57 L84 E85 R90 D91 P92 K94 L95D21-Y88 PolarHBondContact O-OH 2.88Å; L57-Y88 WeakPolarHBondContact CD2-O 3.3Å; L84-Y88 HydrophobicContact CB-CD2 4.36Å; L84-Y88 HydrophobicContact CD2-CD2 3.99Å; L84-Y88 HydrophobicContact CD2-CE2 3.66Å; L84-Y88 WeakPolarHBondContact O-CB 3.37Å; L84-Y88 VanDerWaalsContact O-CD2 3.26Å; L84-Y88 WeakPolarHBondContact O-CD2 3.27Å; L84-Y88 PolarHBondContact O-N 3.39Å; E85-Y88 PolarHBondContact O-N 3.37Å; Y88-R90 PolarHBondContact O-N 2.92Å; Y88-D91 CarbonylContact O-C 3.05Å; Y88-D91 PolarHBondContact O-N 3.49Å; Y88-P92 WeakPolarHBondContact O-CA 3.41Å; Y88-P92 VanDerWaalsContact O-N 3.09Å; Y88-K94 HydrophobicContact CD1-CB 4.02Å; Y88-K94 HydrophobicContact CD1-CD 4.42Å; Y88-K94 HydrophobicContact CD1-CG 4.3Å; Y88-K94 HydrophobicContact CE1-CB 4.14Å; Y88-K94 HydrophobicContact CE1-CD 4.07Å; Y88-K94 HydrophobicContact CE1-CG 3.94Å; Y88-L95 HydrophobicContact CD1-CB 3.6Å; Y88-L95 VanDerWaalsContact CD1-N 3.28Å; Y88-L95 HydrophobicContact CD2-CB 4.3Å; Y88-L95 HydrophobicContact CD2-CD1 4.02Å; Y88-L95 HydrophobicContact CE1-CB 4.05Å; Y88-L95 HydrophobicContact CE1-CD1 4.44Å; Y88-L95 HydrophobicContact CE2-CD1 3.96Å; Y88-L95 HydrophobicContact CG-CB 3.74Å; Y88-L95 HydrophobicContact CG-CD1 4.34Å
89Q87.3Confident87Confident140 Ų14057.6 Ų57.665%0.65429%0.292SS*.SBendtrans-64.7-27.3177.4-176.5-179.963.300113.2E85E85-Q89 WeakPolarHBondContact O-CB 3.49Å; E85-Q89 PolarHBondContact O-N 3.42Å
90R85.2Confident87.5Confident230 Ų23054 Ų5487%0.86827%0.273SS*.SBendtrans-82.3-26.8176.3-67.4-175.6178.8-177.30.1113.8Y88Y88-R90 PolarHBondContact O-N 2.92Å
91D87.6Confident88Confident70 Ų7056.6 Ų56.637%0.37429%0.285SS..  trans-146.490.6176178.26.2000109.6Y88 L93 K94Y88-D91 CarbonylContact O-C 3.05Å; Y88-D91 PolarHBondContact O-N 3.49Å; D91-L93 PolarHBondContact O-N 2.92Å; D91-L93 WeakPolarHBondContact OD1-CA 3.44Å; D91-L93 VanDerWaalsContact OD1-CB 3.3Å; D91-L93 WeakPolarHBondContact OD1-CB 3.39Å; D91-L93 PolarHBondContact OD1-N 2.89Å; D91-K94 HydrophobicContact CB-CB 4.33Å; D91-K94 WeakPolarHBondContact O-CB 3.47Å; D91-K94 PolarHBondContact O-N 2.92Å; D91-K94 PolarHBondContact OD1-N 3.44Å
92P89.6Confident88.4Confident2 Ų256.5 Ų56.51%0.01329%0.285CS..Hα-helixtrans-66.5-21.3176.4-23.135.4000113.3Y50 A53 L57 Y88 K94 L95 V96Y50-P92 HydrophobicContact CE2-CG 4.38Å; A53-P92 HydrophobicContact CB-CB 3.75Å; L57-P92 HydrophobicContact CD2-CB 4.44Å; L57-P92 HydrophobicContact CD2-CG 4.33Å; Y88-P92 WeakPolarHBondContact O-CA 3.41Å; Y88-P92 VanDerWaalsContact O-N 3.09Å; P92-K94 VanDerWaalsContact C-N 3.28Å; P92-K94 PolarHBondContact O-N 3.18Å; P92-L95 PolarHBondContact O-N 3.31Å; P92-V96 PolarHBondContact O-N 3.45Å
93L90.3Very high88.7Confident40 Ų4053.3 Ų53.321%0.20926%0.262CS..Hα-helixtrans-70.5-27.6177-62.3168.5000111.1C49 A53 D91 L95 V96 A97C49-L93 HydrophobicContact CB-CD2 4.03Å; A53-L93 HydrophobicContact CB-CD2 3.79Å; A53-L93 HydrophobicContact CB-CG 4.35Å; D91-L93 PolarHBondContact O-N 2.92Å; D91-L93 WeakPolarHBondContact OD1-CA 3.44Å; D91-L93 VanDerWaalsContact OD1-CB 3.3Å; D91-L93 WeakPolarHBondContact OD1-CB 3.39Å; D91-L93 PolarHBondContact OD1-N 2.89Å; L93-L95 VanDerWaalsContact C-N 3.34Å; L93-L95 PolarHBondContact O-N 3.36Å; L93-V96 WeakPolarHBondContact O-CB 3.37Å; L93-V96 PolarHBondContact O-N 2.95Å; L93-A97 PolarHBondContact O-N 3.21Å
94K90.4Very high89Confident89 Ų8951.6 Ų51.639%0.38725%0.249SC..Hα-helixtrans-60.1-41.1169.9-166.4-171.6174.1-173.60112Y88 D91 P92 V96 A97 T98Y88-K94 HydrophobicContact CD1-CB 4.02Å; Y88-K94 HydrophobicContact CD1-CD 4.42Å; Y88-K94 HydrophobicContact CD1-CG 4.3Å; Y88-K94 HydrophobicContact CE1-CB 4.14Å; Y88-K94 HydrophobicContact CE1-CD 4.07Å; Y88-K94 HydrophobicContact CE1-CG 3.94Å; D91-K94 HydrophobicContact CB-CB 4.33Å; D91-K94 WeakPolarHBondContact O-CB 3.47Å; D91-K94 PolarHBondContact O-N 2.92Å; D91-K94 PolarHBondContact OD1-N 3.44Å; P92-K94 VanDerWaalsContact C-N 3.28Å; P92-K94 PolarHBondContact O-N 3.18Å; K94-V96 VanDerWaalsContact C-N 3.34Å; K94-V96 PolarHBondContact O-N 2.9Å; K94-A97 PolarHBondContact O-N 3.01Å; K94-T98 PolarHBondContact O-N 3.29Å; K94-T98 PolarHBondContact O-OG1 3.08Å
95L91.1Very high89.2Confident2 Ų252 Ų521%0.0126%0.255CS..Hα-helixtrans-61.7-45175.5177.863.3000110.7F22 W39 L57 Y88 P92 L93 A97 T98 I99F22-L95 HydrophobicContact CD2-CD1 4.39Å; W39-L95 HydrophobicContact CH2-CD2 4.46Å; W39-L95 HydrophobicContact CZ3-CG 4.42Å; L57-L95 HydrophobicContact CB-CD2 4.07Å; L57-L95 HydrophobicContact CD1-CD2 3.8Å; Y88-L95 HydrophobicContact CD1-CB 3.6Å; Y88-L95 VanDerWaalsContact CD1-N 3.28Å; Y88-L95 HydrophobicContact CD2-CB 4.3Å; Y88-L95 HydrophobicContact CD2-CD1 4.02Å; Y88-L95 HydrophobicContact CE1-CB 4.05Å; Y88-L95 HydrophobicContact CE1-CD1 4.44Å; Y88-L95 HydrophobicContact CE2-CD1 3.96Å; Y88-L95 HydrophobicContact CG-CB 3.74Å; Y88-L95 HydrophobicContact CG-CD1 4.34Å; P92-L95 PolarHBondContact O-N 3.31Å; L93-L95 VanDerWaalsContact C-N 3.34Å; L93-L95 PolarHBondContact O-N 3.36Å; L95-A97 VanDerWaalsContact C-N 3.3Å; L95-A97 PolarHBondContact O-N 2.79Å; L95-T98 PolarHBondContact O-N 2.73Å; L95-I99 HydrophobicContact CD1-CD1 4.32Å; L95-I99 HydrophobicContact CD1-CG1 3.89Å; L95-I99 HydrophobicContact CG-CG1 4.32Å; L95-I99 WeakPolarHBondContact O-CG1 3.38Å; L95-I99 PolarHBondContact O-N 2.79Å
96V91.7Very high89.4Confident2 Ų248.9 Ų48.91%0.01224%0.241CC..Hα-helixtrans-58.4-43.8177.11750000111W39 L42 A53 P92 L93 K94 R100W39-V96 HydrophobicContact CE3-CB 4.26Å; W39-V96 HydrophobicContact CE3-CG1 4.38Å; W39-V96 HydrophobicContact CE3-CG2 3.95Å; W39-V96 HydrophobicContact CZ3-CG2 4.01Å; L42-V96 HydrophobicContact CB-CG1 3.7Å; L42-V96 HydrophobicContact CD1-CG1 4.25Å; L42-V96 HydrophobicContact CD1-CG2 4.2Å; A53-V96 HydrophobicContact CB-CG2 3.61Å; P92-V96 PolarHBondContact O-N 3.45Å; L93-V96 WeakPolarHBondContact O-CB 3.37Å; L93-V96 PolarHBondContact O-N 2.95Å; K94-V96 VanDerWaalsContact C-N 3.34Å; K94-V96 PolarHBondContact O-N 2.9Å; V96-R100 WeakPolarHBondContact O-CB 3.27Å; V96-R100 PolarHBondContact O-N 2.69Å
97A91.3Very high89.5Confident28 Ų2845.2 Ų45.223%0.23121%0.213CC..Hα-helixtrans-62.6-47.4176.700000112.3L93 K94 L95 R100 Q101L93-A97 PolarHBondContact O-N 3.21Å; K94-A97 PolarHBondContact O-N 3.01Å; L95-A97 VanDerWaalsContact C-N 3.3Å; L95-A97 PolarHBondContact O-N 2.79Å; A97-R100 PolarHBondContact O-N 3.48Å; A97-Q101 WeakPolarHBondContact O-CG 3.34Å; A97-Q101 PolarHBondContact O-N 3.41Å
98T91.3Very high89.6Confident8 Ų846.3 Ų46.35%0.04922%0.215CC..Hα-helixtrans-60.5-49.7178.4-61.90000112.1D21 F22 K94 L95 R100 Q101 I102D21-T98 HydrophobicContact CB-CG2 3.68Å; F22-T98 HydrophobicContact CB-CG2 3.86Å; K94-T98 PolarHBondContact O-N 3.29Å; K94-T98 PolarHBondContact O-OG1 3.08Å; L95-T98 PolarHBondContact O-N 2.73Å; T98-R100 VanDerWaalsContact C-N 3.34Å; T98-R100 PolarHBondContact O-N 3.23Å; T98-Q101 PolarHBondContact O-N 3.27Å; T98-I102 HydrophobicContact CG2-CD1 4.15Å; T98-I102 WeakPolarHBondContact O-CG1 3.3Å; T98-I102 PolarHBondContact O-N 3.23Å; T98-I102 VanDerWaalsContact O-N 3.08Å
99I91.8Very high89.5Confident3 Ų346.8 Ų46.82%0.01522%0.219CC..Hα-helixtrans-67.2-36.6179.5-58.7-62.3000111.2F22 L34 W39 L95 I102 L103F22-I99 HydrophobicContact CB-CD1 4.3Å; F22-I99 HydrophobicContact CD1-CD1 3.64Å; F22-I99 HydrophobicContact CD2-CD1 3.81Å; F22-I99 HydrophobicContact CE1-CD1 3.78Å; F22-I99 HydrophobicContact CE2-CD1 3.96Å; F22-I99 HydrophobicContact CG-CD1 3.65Å; F22-I99 HydrophobicContact CZ-CD1 3.94Å; L34-I99 HydrophobicContact CD2-CD1 4.48Å; L34-I99 HydrophobicContact CD2-CG2 4.32Å; W39-I99 HydrophobicContact CB-CG2 4.47Å; W39-I99 HydrophobicContact CD2-CB 3.97Å; W39-I99 HydrophobicContact CD2-CG2 3.7Å; W39-I99 HydrophobicContact CE3-CB 4.24Å; W39-I99 HydrophobicContact CE3-CG2 4.45Å; W39-I99 HydrophobicContact CG-CB 4.23Å; W39-I99 HydrophobicContact CG-CG2 3.7Å; W39-I99 HydrophobicContact CZ2-CG2 4.3Å; L95-I99 HydrophobicContact CD1-CD1 4.32Å; L95-I99 HydrophobicContact CD1-CG1 3.89Å; L95-I99 HydrophobicContact CG-CG1 4.32Å; L95-I99 WeakPolarHBondContact O-CG1 3.38Å; L95-I99 PolarHBondContact O-N 2.79Å; I99-I102 PolarHBondContact O-N 3.47Å; I99-L103 HydrophobicContact CG2-CD1 3.97Å; I99-L103 HydrophobicContact CG2-CG 4.3Å; I99-L103 WeakPolarHBondContact O-CG 3.37Å; I99-L103 PolarHBondContact O-N 3.31Å
100R91.3Very high89.5Confident60 Ų6040.1 Ų40.123%0.22619%0.188CC..Hα-helixtrans-60.5-47.2173.4178.3174.369.9-142.81.6111.7W39 E40 L42 V96 A97 T98 I102 L103 Q104W39-R100 HydrophobicContact CB-CB 4.46Å; E40-R100 HydrophobicContact CG-CG 4.3Å; L42-R100 PolarHBondContact O-NH1 3.2Å; V96-R100 WeakPolarHBondContact O-CB 3.27Å; V96-R100 PolarHBondContact O-N 2.69Å; A97-R100 PolarHBondContact O-N 3.48Å; T98-R100 VanDerWaalsContact C-N 3.34Å; T98-R100 PolarHBondContact O-N 3.23Å; R100-I102 VanDerWaalsContact C-N 3.32Å; R100-I102 PolarHBondContact O-N 3.39Å; R100-L103 PolarHBondContact O-N 2.96Å; R100-Q104 HydrophobicContact CG-CG 4.33Å; R100-Q104 WeakPolarHBondContact O-CB 3.43Å; R100-Q104 VanDerWaalsContact O-CG 3.28Å; R100-Q104 WeakPolarHBondContact O-CG 3.45Å; R100-Q104 PolarHBondContact O-N 3.22Å
101Q91.1Very high89.4Confident121 Ų12133 Ų3357%0.56517%0.166SC*.Hα-helixtrans-59.8-42.1177.5-75.9170.3-38.600111.9A97 T98 Q104 G105A97-Q101 WeakPolarHBondContact O-CG 3.34Å; A97-Q101 PolarHBondContact O-N 3.41Å; T98-Q101 PolarHBondContact O-N 3.27Å; Q101-Q104 PolarHBondContact O-N 3.48Å; Q101-G105 PolarHBondContact O-N 2.84Å
102I91.7Very high89.3Confident3 Ų336 Ų362%0.01518%0.178CC..Hα-helixtrans-61.2-52.6175.6-73166.2000111.1L18 Y19 F22 T98 I99 R100 Q104 G105 E106L18-I102 VanDerWaalsContact O-CG1 3.32Å; L18-I102 WeakPolarHBondContact O-CG1 3.3Å; Y19-I102 HydrophobicContact CD1-CD1 4.38Å; Y19-I102 HydrophobicContact CD1-CG2 4.18Å; Y19-I102 HydrophobicContact CE1-CG2 3.73Å; F22-I102 HydrophobicContact CB-CD1 3.7Å; F22-I102 HydrophobicContact CD1-CD1 4.35Å; F22-I102 HydrophobicContact CG-CD1 4.43Å; T98-I102 HydrophobicContact CG2-CD1 4.15Å; T98-I102 WeakPolarHBondContact O-CG1 3.3Å; T98-I102 PolarHBondContact O-N 3.23Å; T98-I102 VanDerWaalsContact O-N 3.08Å; I99-I102 PolarHBondContact O-N 3.47Å; R100-I102 VanDerWaalsContact C-N 3.32Å; R100-I102 PolarHBondContact O-N 3.39Å; I102-Q104 VanDerWaalsContact C-N 3.32Å; I102-Q104 PolarHBondContact O-N 2.96Å; I102-G105 PolarHBondContact O-N 3.2Å; I102-E106 HydrophobicContact CG2-CG 4.4Å; I102-E106 VanDerWaalsContact CG2-OE1 3.27Å; I102-E106 WeakPolarHBondContact CG2-OE1 3.44Å; I102-E106 WeakPolarHBondContact O-CB 3.5Å; I102-E106 WeakPolarHBondContact O-CG 3.32Å; I102-E106 PolarHBondContact O-N 2.76Å
103L89.9Confident89Confident5 Ų540 Ų403%0.02620%0.196CC..Hα-helixtrans-64.3-35.6-179.2-67.9174.2000112.4L3 E35 W39 I99 R100 K107L3-L103 HydrophobicContact CD2-CD2 4.28Å; E35-L103 HydrophobicContact CG-CD2 4.34Å; W39-L103 HydrophobicContact CG-CD1 4.31Å; I99-L103 HydrophobicContact CG2-CD1 3.97Å; I99-L103 HydrophobicContact CG2-CG 4.3Å; I99-L103 WeakPolarHBondContact O-CG 3.37Å; I99-L103 PolarHBondContact O-N 3.31Å; R100-L103 PolarHBondContact O-N 2.96Å; L103-K107 WeakPolarHBondContact O-CB 3.31Å; L103-K107 WeakPolarHBondContact O-CG 3.4Å; L103-K107 PolarHBondContact O-N 3.18Å
104Q88.9Confident88.6Confident35 Ų3540.1 Ų40.116%0.16420%0.195CC..Hα-helixtrans-66.3-41.7173.1-73.4-178.6-49.100112.2R100 Q101 I102 K107 K108 L800R100-Q104 HydrophobicContact CG-CG 4.33Å; R100-Q104 WeakPolarHBondContact O-CB 3.43Å; R100-Q104 VanDerWaalsContact O-CG 3.28Å; R100-Q104 WeakPolarHBondContact O-CG 3.45Å; R100-Q104 PolarHBondContact O-N 3.22Å; Q101-Q104 PolarHBondContact O-N 3.48Å; I102-Q104 VanDerWaalsContact C-N 3.32Å; I102-Q104 PolarHBondContact O-N 2.96Å; Q104-K107 PolarHBondContact O-N 3.31Å; Q104-K108 WeakPolarHBondContact O-CB 3.45Å; Q104-K108 PolarHBondContact O-N 3.38Å; Q104-L800 PolarHBondContact NE2-O 3.05Å
105G88.6Confident87.9Confident18 Ų1846.7 Ų46.719%0.18622%0.218CC..Hα-helixtrans-64.9-42.417500000112.8Q101 I102 K108 A109Q101-G105 PolarHBondContact O-N 2.84Å; I102-G105 PolarHBondContact O-N 3.2Å; G105-K108 PolarHBondContact O-N 3.38Å; G105-A109 PolarHBondContact O-N 3.39Å
106E89.9Confident87.3Confident0 Ų050.1 Ų50.10%023%0.233CC..Hα-helixtrans-61.1-47.2173.7-74.3176.4-167.100111.9L3 I7 L18 Y19 R27 I102 K108 A109 V110L3-E106 HydrophobicContact CD2-CB 3.92Å; L3-E106 HydrophobicContact CG-CB 4.36Å; I7-E106 HydrophobicContact CD1-CB 3.59Å; I7-E106 HydrophobicContact CD1-CG 3.75Å; I7-E106 HydrophobicContact CG1-CB 3.96Å; I7-E106 HydrophobicContact CG1-CG 3.97Å; L18-E106 HydrophobicContact CD1-CG 4.21Å; Y19-E106 PolarHBondContact OH-OE1 3.02Å; R27-E106 WeakPolarHBondContact CD-OE1 3.49Å; R27-E106 IonicContact CZ-OE1 3.45Å; R27-E106 IonicContact CZ-OE2 3.69Å; R27-E106 IonicContact NE-OE1 3.46Å; R27-E106 PolarHBondContact NE-OE1 2.86Å; R27-E106 IonicContact NE-OE2 2.73Å; R27-E106 PolarHBondContact NE-OE2 3.48Å; R27-E106 IonicContact NH2-OE1 2.77Å; R27-E106 IonicContact NH2-OE2 3.84Å; R27-E106 PolarHBondContact NH2-OE2 3.38Å; I102-E106 HydrophobicContact CG2-CG 4.4Å; I102-E106 VanDerWaalsContact CG2-OE1 3.27Å; I102-E106 WeakPolarHBondContact CG2-OE1 3.44Å; I102-E106 WeakPolarHBondContact O-CB 3.5Å; I102-E106 WeakPolarHBondContact O-CG 3.32Å; I102-E106 PolarHBondContact O-N 2.76Å; E106-K108 VanDerWaalsContact C-N 3.32Å; E106-K108 PolarHBondContact O-N 2.97Å; E106-A109 PolarHBondContact O-N 2.93Å; E106-V110 WeakPolarHBondContact O-CB 3.37Å; E106-V110 WeakPolarHBondContact O-CG2 2.78Å; E106-V110 PolarHBondContact O-N 2.91Å
107K87.9Confident86.6Confident18 Ų1850.8 Ų50.88%0.07824%0.237CC..Hα-helixtrans-55.8-46.9174.1-75.4170.5-172.2-160.70111.7L3 E40 L103 Q104 V110 I111 L117 F121L3-K107 HydrophobicContact CD2-CG 4.14Å; E40-K107 WeakPolarHBondContact OE1-CE 3.44Å; E40-K107 IonicContact OE1-NZ 2.63Å; E40-K107 PolarHBondContact OE1-NZ 3.32Å; E40-K107 IonicContact OE2-NZ 3.8Å; E40-K107 PolarHBondContact OE2-NZ 3.41Å; L103-K107 WeakPolarHBondContact O-CB 3.31Å; L103-K107 WeakPolarHBondContact O-CG 3.4Å; L103-K107 PolarHBondContact O-N 3.18Å; Q104-K107 PolarHBondContact O-N 3.31Å; K107-V110 PolarHBondContact O-N 3.35Å; K107-I111 VanDerWaalsContact O-CG1 3.29Å; K107-I111 WeakPolarHBondContact O-CG1 3.34Å; K107-I111 PolarHBondContact O-N 3.07Å; K107-L117 HydrophobicContact CB-CD1 4.42Å; K107-L117 HydrophobicContact CG-CD1 4.3Å; K107-L117 HydrophobicContact CG-CD2 4.38Å; K107-F121 HydrophobicContact CD-CE1 4.37Å; K107-F121 HydrophobicContact CG-CE1 4.46Å
108K86.6Confident85.9Confident97 Ų9750 Ų5042%0.42223%0.23SC..Hα-helixtrans-60-50.7179.2178.8177.9170.6-179.60111.1Q104 G105 E106 V110 I111 E112Q104-K108 WeakPolarHBondContact O-CB 3.45Å; Q104-K108 PolarHBondContact O-N 3.38Å; G105-K108 PolarHBondContact O-N 3.38Å; E106-K108 VanDerWaalsContact C-N 3.32Å; E106-K108 PolarHBondContact O-N 2.97Å; K108-V110 VanDerWaalsContact C-N 3.3Å; K108-V110 PolarHBondContact O-N 3.46Å; K108-I111 PolarHBondContact O-N 3.28Å; K108-E112 WeakPolarHBondContact CE-OE1 3.49Å; K108-E112 HydrophobicContact CG-CG 4.42Å; K108-E112 IonicContact NZ-OE1 3.47Å; K108-E112 WeakPolarHBondContact O-CG 3.4Å; K108-E112 PolarHBondContact O-N 3.36Å
109A87.1Confident85.2Confident11 Ų1151 Ų519%0.09124%0.236CC..Hα-helixtrans-58.4-42178.300000112M10 L15 G105 E106 E112 E113M10-A109 HydrophobicContact CE-CB 3.99Å; M10-A109 WeakPolarHBondContact CE-O 3.21Å; M10-A109 HydrophobicContact SD-CB 4.13Å; L15-A109 HydrophobicContact CD2-CB 4.03Å; G105-A109 PolarHBondContact O-N 3.39Å; E106-A109 PolarHBondContact O-N 2.93Å; A109-E112 PolarHBondContact O-N 3.44Å; A109-E113 WeakPolarHBondContact O-CB 3.28Å; A109-E113 PolarHBondContact O-N 3Å
110V86Confident84.6Confident0 Ų054.4 Ų54.40%026%0.258CS..Hα-helixtrans-66.4-39.3177.6165.40000112.3L3 L6 I7 M10 E106 K107 K108 F114 H116 L117L3-V110 HydrophobicContact CD1-CB 4.24Å; L3-V110 HydrophobicContact CD1-CG1 4.41Å; L3-V110 HydrophobicContact CD1-CG2 3.94Å; L6-V110 HydrophobicContact CB-CG1 4.43Å; L6-V110 HydrophobicContact CB-CG2 3.94Å; L6-V110 HydrophobicContact CD1-CG1 3.64Å; I7-V110 HydrophobicContact CD1-CG2 3.62Å; I7-V110 HydrophobicContact CG1-CG2 4.05Å; M10-V110 HydrophobicContact SD-CG2 4.12Å; E106-V110 WeakPolarHBondContact O-CB 3.37Å; E106-V110 WeakPolarHBondContact O-CG2 2.78Å; E106-V110 PolarHBondContact O-N 2.91Å; K107-V110 PolarHBondContact O-N 3.35Å; K108-V110 VanDerWaalsContact C-N 3.3Å; K108-V110 PolarHBondContact O-N 3.46Å; V110-F114 HydrophobicContact CB-CD2 4.35Å; V110-F114 HydrophobicContact CG1-CD2 4.02Å; V110-F114 HydrophobicContact CG2-CD2 4.39Å; V110-F114 WeakPolarHBondContact O-CB 3.46Å; V110-F114 WeakPolarHBondContact O-CD2 3.32Å; V110-F114 PolarHBondContact O-N 3.23Å; V110-H116 WeakPolarHBondContact CG1-O 3.04Å; V110-L117 HydrophobicContact CB-CD2 4.17Å; V110-L117 HydrophobicContact CG1-CD2 3.63Å; V110-L117 HydrophobicContact CG1-CG 4.45Å
111I83.9Confident84.1Confident81 Ų8151.9 Ų51.942%0.41525%0.249SC..Hα-helixtrans-65.9-41.4174.1-68164.4000111K107 K108 E113 R115 L117K107-I111 VanDerWaalsContact O-CG1 3.29Å; K107-I111 WeakPolarHBondContact O-CG1 3.34Å; K107-I111 PolarHBondContact O-N 3.07Å; K108-I111 PolarHBondContact O-N 3.28Å; I111-E113 PolarHBondContact O-N 2.9Å; I111-R115 WeakPolarHBondContact O-CA 3.43Å; I111-R115 PolarHBondContact O-N 3.03Å; I111-L117 HydrophobicContact CD1-CD1 3.82Å; I111-L117 HydrophobicContact CD1-CG 4.28Å; I111-L117 HydrophobicContact CG1-CD1 4.04Å; I111-L117 HydrophobicContact CG1-CG 3.92Å
112E85.2Confident83.7Confident134 Ų13446.4 Ų46.463%0.62622%0.223SC*.Hα-helixtrans-65.9-35.3179.6-73.5175.5163.200112.9K108 A109K108-E112 WeakPolarHBondContact CE-OE1 3.49Å; K108-E112 HydrophobicContact CG-CG 4.42Å; K108-E112 IonicContact NZ-OE1 3.47Å; K108-E112 WeakPolarHBondContact O-CG 3.4Å; K108-E112 PolarHBondContact O-N 3.36Å; A109-E112 PolarHBondContact O-N 3.44Å
113E83.6Confident83.2Confident84 Ų8450 Ų5039%0.39324%0.24SC..Hα-helixtrans-87.2-50.7-179.8-164.883.4-144.300113.2M10 K14 A109 I111M10-E113 HydrophobicContact CE-CB 3.6Å; M10-E113 HydrophobicContact CE-CG 3.97Å; K14-E113 IonicContact NZ-OE1 3.53Å; K14-E113 IonicContact NZ-OE2 3.2Å; K14-E113 PolarHBondContact NZ-OE2 3.24Å; A109-E113 WeakPolarHBondContact O-CB 3.28Å; A109-E113 PolarHBondContact O-N 3Å; I111-E113 PolarHBondContact O-N 2.9Å
114F80.4Confident83Confident43 Ų4352.7 Ų52.719%0.18925%0.251CS..Hα-helixtrans-102.3-7.4-168.7-57-76.5000113.6L6 M10 V110 H116 V826L6-F114 HydrophobicContact CB-CD2 4.42Å; L6-F114 HydrophobicContact CB-CE2 4.06Å; L6-F114 HydrophobicContact CD1-CD2 4.48Å; L6-F114 HydrophobicContact CD2-CD1 4.5Å; L6-F114 HydrophobicContact CD2-CD2 4.39Å; L6-F114 HydrophobicContact CD2-CE1 4.37Å; L6-F114 HydrophobicContact CD2-CE2 4.27Å; L6-F114 HydrophobicContact CD2-CZ 4.26Å; M10-F114 HydrophobicContact CG-CE2 4.07Å; M10-F114 HydrophobicContact CG-CZ 4.42Å; M10-F114 HydrophobicContact SD-CE2 4.19Å; V110-F114 HydrophobicContact CB-CD2 4.35Å; V110-F114 HydrophobicContact CG1-CD2 4.02Å; V110-F114 HydrophobicContact CG2-CD2 4.39Å; V110-F114 WeakPolarHBondContact O-CB 3.46Å; V110-F114 WeakPolarHBondContact O-CD2 3.32Å; V110-F114 PolarHBondContact O-N 3.23Å; F114-H116 PolarHBondContact O-N 2.99Å; F114-H116 PolarHBondContact O-ND1 2.75Å; F114-V826 HydrophobicContact CE1-CG2 3.97Å
115R77.5Confident82.9Confident227 Ų22751.3 Ų51.386%0.85725%0.245SC*.SBendtrans60.90.4-177.3-56.5-176178.5-174-0.7116.2I111I111-R115 WeakPolarHBondContact O-CA 3.43Å; I111-R115 PolarHBondContact O-N 3.03Å
116H76.6Confident82.9Confident74 Ų7451.6 Ų51.634%0.34324%0.241SC..  trans-141.8165.7178.771.6-88.5000111.1V110 F114 E818V110-H116 WeakPolarHBondContact CG1-O 3.04Å; F114-H116 PolarHBondContact O-N 2.99Å; F114-H116 PolarHBondContact O-ND1 2.75Å; H116-E818 IonicContact CE1-OE2 2.6Å; H116-E818 IonicContact ND1-OE2 3Å; H116-E818 IonicContact NE2-OE2 3.82Å
117L78.8Confident82.9Confident16 Ų1656.7 Ų56.78%0.08427%0.265CS..  trans-118.9151.5167.9-82.9169.1000109.1L3 K107 V110 I111 V119 H122L3-L117 HydrophobicContact CD1-CD2 3.69Å; K107-L117 HydrophobicContact CB-CD1 4.42Å; K107-L117 HydrophobicContact CG-CD1 4.3Å; K107-L117 HydrophobicContact CG-CD2 4.38Å; V110-L117 HydrophobicContact CB-CD2 4.17Å; V110-L117 HydrophobicContact CG1-CD2 3.63Å; V110-L117 HydrophobicContact CG1-CG 4.45Å; I111-L117 HydrophobicContact CD1-CD1 3.82Å; I111-L117 HydrophobicContact CD1-CG 4.28Å; I111-L117 HydrophobicContact CG1-CD1 4.04Å; I111-L117 HydrophobicContact CG1-CG 3.92Å; L117-V119 PolarHBondContact O-N 3.18Å; L117-H122 WeakPolarHBondContact CB-NE2 3.28Å
118P76.4Confident83.1Confident13 Ų1356.8 Ų56.88%0.08427%0.267CS..  trans-62.8130.7-178.2-22.833.4000112.9M1 L6 P120 F121 H122M1-P118 VanDerWaalsContact O-CB 3.29Å; M1-P118 WeakPolarHBondContact O-CB 3.34Å; M1-P118 WeakPolarHBondContact O-CG 3.46Å; L6-P118 HydrophobicContact CD1-CG 3.79Å; P118-P120 VanDerWaalsContact C-CD 3.46Å; P118-P120 VanDerWaalsContact C-N 3.34Å; P118-F121 HydrophobicContact CB-CB 4.18Å; P118-F121 WeakPolarHBondContact O-CA 3.41Å; P118-F121 VanDerWaalsContact O-CB 3.25Å; P118-F121 WeakPolarHBondContact O-CB 3.46Å; P118-F121 PolarHBondContact O-N 2.6Å; P118-H122 PolarHBondContact O-N 2.97Å
119V75.6Confident83.3Confident28 Ų2854.6 Ų54.617%0.1726%0.257CS..Hα-helixtrans-51.7-42.6174.5176.50000113.6L117 F121 H122 Q123 G815L117-V119 PolarHBondContact O-N 3.18Å; V119-F121 PolarHBondContact O-N 3.33Å; V119-H122 PolarHBondContact O-N 3.01Å; V119-H122 VanDerWaalsContact O-N 3.12Å; V119-Q123 HydrophobicContact CG1-CG 4.31Å; V119-Q123 WeakPolarHBondContact O-CG 3.31Å; V119-Q123 PolarHBondContact O-N 3.34Å; V119-G815 WeakPolarHBondContact CG2-O 3.4Å
120P79Confident83.6Confident75 Ų7554.3 Ų54.349%0.48725%0.254SS..Hα-helixtrans-61.5-29.2176.1-24.535.8000113.4P118 K124P118-P120 VanDerWaalsContact C-CD 3.46Å; P118-P120 VanDerWaalsContact C-N 3.34Å; P120-K124 WeakPolarHBondContact O-CB 3.26Å; P120-K124 PolarHBondContact O-N 2.95Å; P120-K124 VanDerWaalsContact O-N 3.11Å
121F82.3Confident84Confident6 Ų657.5 Ų57.53%0.02627%0.273CS..Hα-helixtrans-69.4-45.2174.5-177.8-88.2000110.5L3 E35 K107 P118 V119 Q123 K124 Q125L3-F121 HydrophobicContact CB-CD2 3.96Å; L3-F121 HydrophobicContact CB-CE2 4.02Å; L3-F121 HydrophobicContact CD2-CE2 4.07Å; L3-F121 HydrophobicContact CD2-CZ 4.21Å; E35-F121 HydrophobicContact CB-CE2 4.46Å; E35-F121 HydrophobicContact CG-CE2 4.3Å; K107-F121 HydrophobicContact CD-CE1 4.37Å; K107-F121 HydrophobicContact CG-CE1 4.46Å; P118-F121 HydrophobicContact CB-CB 4.18Å; P118-F121 WeakPolarHBondContact O-CA 3.41Å; P118-F121 VanDerWaalsContact O-CB 3.25Å; P118-F121 WeakPolarHBondContact O-CB 3.46Å; P118-F121 PolarHBondContact O-N 2.6Å; V119-F121 PolarHBondContact O-N 3.33Å; F121-Q123 PolarHBondContact O-N 2.97Å; F121-K124 PolarHBondContact O-N 2.7Å; F121-Q125 HydrophobicContact CD1-CG 3.87Å; F121-Q125 HydrophobicContact CE1-CG 3.38Å; F121-Q125 HydrophobicContact CE2-CG 4.43Å; F121-Q125 HydrophobicContact CZ-CG 3.7Å; F121-Q125 VanDerWaalsContact O-CG 3.23Å; F121-Q125 WeakPolarHBondContact O-CG 3.25Å; F121-Q125 PolarHBondContact O-N 3.39Å
122H80.9Confident84.4Confident7 Ų754 Ų543%0.03226%0.255CS..Hα-helixtrans-60.1-41.7174.6-73.1-66000113.3L117 P118 V119 K124 Q125 E126 L811 L812L117-H122 WeakPolarHBondContact CB-NE2 3.28Å; P118-H122 PolarHBondContact O-N 2.97Å; V119-H122 PolarHBondContact O-N 3.01Å; V119-H122 VanDerWaalsContact O-N 3.12Å; H122-K124 PolarHBondContact O-N 3.47Å; H122-Q125 PolarHBondContact O-N 2.85Å; H122-E126 PolarHBondContact O-N 3.05Å; H122-L811 VanDerWaalsContact CE1-CD1 3.42Å; H122-L811 WeakPolarHBondContact CE1-CD1 3.47Å; H122-L812 HydrophobicContact CB-CD2 3.64Å; H122-L812 HydrophobicContact CB-CG 3.93Å
123Q82.3Confident84.8Confident79 Ų7948.7 Ų48.737%0.36924%0.235SC..Hα-helixtrans-60.5-45.3176.4-69.3171-17.900111.4V119 F121 Q125 E126 E127 L812V119-Q123 HydrophobicContact CG1-CG 4.31Å; V119-Q123 WeakPolarHBondContact O-CG 3.31Å; V119-Q123 PolarHBondContact O-N 3.34Å; F121-Q123 PolarHBondContact O-N 2.97Å; Q123-Q125 VanDerWaalsContact C-N 3.35Å; Q123-Q125 PolarHBondContact O-N 2.8Å; Q123-E126 PolarHBondContact O-N 3.49Å; Q123-E127 PolarHBondContact O-N 2.72Å; Q123-E127 VanDerWaalsContact O-N 3.12Å; Q123-L812 HydrophobicContact CB-CD2 4.48Å; Q123-L812 HydrophobicContact CG-CD2 3.66Å
124K85.7Confident85.4Confident60 Ų6045.6 Ų45.626%0.26122%0.221SC..Hα-helixtrans-63.1-37.8177.1-161.6178.9-173.1-1600112.3D32 E35 P120 F121 H122 L128D32-K124 PolarHBondContact O-NZ 2.9Å; E35-K124 VanDerWaalsContact O-CD 3.25Å; E35-K124 WeakPolarHBondContact O-CD 3.47Å; E35-K124 WeakPolarHBondContact O-CE 3.39Å; E35-K124 PolarHBondContact O-NZ 3.01Å; P120-K124 WeakPolarHBondContact O-CB 3.26Å; P120-K124 PolarHBondContact O-N 2.95Å; P120-K124 VanDerWaalsContact O-N 3.11Å; F121-K124 PolarHBondContact O-N 2.7Å; H122-K124 PolarHBondContact O-N 3.47Å; K124-L128 HydrophobicContact CG-CD1 4.43Å; K124-L128 WeakPolarHBondContact O-CB 3.33Å; K124-L128 WeakPolarHBondContact O-CD1 3.46Å; K124-L128 VanDerWaalsContact O-CG 3.22Å; K124-L128 WeakPolarHBondContact O-CG 3.42Å; K124-L128 PolarHBondContact O-N 2.99Å
125Q86.4Confident86Confident6 Ų644.3 Ų44.33%0.02822%0.22CC..Hα-helixtrans-70.9-36.5176.4-64.7-75-90.800112.8E40 F41 F121 H122 Q123 L128 K129E40-Q125 PolarHBondContact OE2-OE1 3.44Å; F41-Q125 WeakPolarHBondContact CE2-O 3.33Å; F41-Q125 HydrophobicContact CZ-CB 4.46Å; F41-Q125 WeakPolarHBondContact CZ-O 3.43Å; F121-Q125 HydrophobicContact CD1-CG 3.87Å; F121-Q125 HydrophobicContact CE1-CG 3.38Å; F121-Q125 HydrophobicContact CE2-CG 4.43Å; F121-Q125 HydrophobicContact CZ-CG 3.7Å; F121-Q125 VanDerWaalsContact O-CG 3.23Å; F121-Q125 WeakPolarHBondContact O-CG 3.25Å; F121-Q125 PolarHBondContact O-N 3.39Å; H122-Q125 PolarHBondContact O-N 2.85Å; Q123-Q125 VanDerWaalsContact C-N 3.35Å; Q123-Q125 PolarHBondContact O-N 2.8Å; Q125-L128 PolarHBondContact O-N 2.94Å; Q125-K129 WeakPolarHBondContact O-CB 3.4Å; Q125-K129 PolarHBondContact O-N 3.32Å
126E89.1Confident86.8Confident25 Ų2535.3 Ų35.312%0.11719%0.186CC..Hα-helixtrans-61.7-45.7173.5-173.6-78.1154.900111.4H122 Q123 K129 F130 R200 R227 L812H122-E126 PolarHBondContact O-N 3.05Å; Q123-E126 PolarHBondContact O-N 3.49Å; E126-K129 PolarHBondContact O-N 3.43Å; E126-F130 PolarHBondContact O-N 3.1Å; E126-R200 IonicContact OE2-NE 3.69Å; E126-R227 IonicContact OE1-CZ 3.09Å; E126-R227 IonicContact OE1-NH1 3.47Å; E126-R227 PolarHBondContact OE1-NH1 3.1Å; E126-R227 IonicContact OE1-NH2 2.8Å; E126-R227 IonicContact OE2-CZ 3.66Å; E126-R227 IonicContact OE2-NH1 3Å; E126-R227 PolarHBondContact OE2-NH1 2.85Å; E126-R227 IonicContact OE2-NH2 2.67Å; E126-R227 PolarHBondContact OE2-NH2 3.26Å; E126-L812 HydrophobicContact CB-CD1 4.15Å; E126-L812 HydrophobicContact CG-CD1 4.19Å
127E89.6Confident87.6Confident106 Ų10631.8 Ų31.850%0.49517%0.169SC..Hα-helixtrans-65.6-42.6177.2-179.5162.3-120.800112.7Q123 K129 F130 T131Q123-E127 PolarHBondContact O-N 2.72Å; Q123-E127 VanDerWaalsContact O-N 3.12Å; E127-K129 VanDerWaalsContact C-N 3.32Å; E127-K129 PolarHBondContact O-N 3.27Å; E127-F130 PolarHBondContact O-N 2.94Å; E127-T131 HydrophobicContact CG-CG2 4.41Å; E127-T131 WeakPolarHBondContact O-CB 3.05Å; E127-T131 WeakPolarHBondContact O-CG2 3.45Å; E127-T131 PolarHBondContact O-N 3.27Å; E127-T131 PolarHBondContact O-OG1 2.9Å
128L91.6Very high88.4Confident21 Ų2134.2 Ų34.211%0.1118%0.18CC..Hα-helixtrans-63.1-36.9174.5-74.9167.8000112.3S36 P38 F41 K124 Q125 T131 T132S36-L128 WeakPolarHBondContact O-CD2 3.42Å; P38-L128 HydrophobicContact CB-CB 4.49Å; P38-L128 HydrophobicContact CB-CD2 4.33Å; F41-L128 HydrophobicContact CD2-CB 4.07Å; F41-L128 HydrophobicContact CE2-CB 3.72Å; K124-L128 HydrophobicContact CG-CD1 4.43Å; K124-L128 WeakPolarHBondContact O-CB 3.33Å; K124-L128 WeakPolarHBondContact O-CD1 3.46Å; K124-L128 VanDerWaalsContact O-CG 3.22Å; K124-L128 WeakPolarHBondContact O-CG 3.42Å; K124-L128 PolarHBondContact O-N 2.99Å; Q125-L128 PolarHBondContact O-N 2.94Å; L128-T131 WeakPolarHBondContact CA-OG1 3.01Å; L128-T131 PolarHBondContact O-OG1 3.39Å; L128-T132 WeakPolarHBondContact O-CB 3.33Å; L128-T132 PolarHBondContact O-N 3.02Å; L128-T132 VanDerWaalsContact O-N 3.09Å; L128-T132 PolarHBondContact O-OG1 2.92Å
129K91.9Very high89.2Confident50 Ų5035 Ų3522%0.21718%0.183CC..Hα-helixtrans-64.4-51174.4-175.9173.2172.9176.40111.3F41 Q125 E126 E127 T132 A133 L196 E805F41-K129 HydrophobicContact CD1-CB 3.97Å; F41-K129 HydrophobicContact CD1-CD 4.34Å; F41-K129 HydrophobicContact CD1-CG 3.96Å; F41-K129 HydrophobicContact CD2-CB 4.2Å; F41-K129 HydrophobicContact CE1-CB 3.75Å; F41-K129 HydrophobicContact CE1-CD 4.15Å; F41-K129 HydrophobicContact CE1-CG 4.03Å; F41-K129 HydrophobicContact CE2-CB 3.99Å; F41-K129 HydrophobicContact CG-CB 4.21Å; F41-K129 HydrophobicContact CG-CG 4.42Å; F41-K129 HydrophobicContact CZ-CB 3.77Å; Q125-K129 WeakPolarHBondContact O-CB 3.4Å; Q125-K129 PolarHBondContact O-N 3.32Å; E126-K129 PolarHBondContact O-N 3.43Å; E127-K129 VanDerWaalsContact C-N 3.32Å; E127-K129 PolarHBondContact O-N 3.27Å; K129-T132 PolarHBondContact O-N 2.96Å; K129-A133 PolarHBondContact O-N 2.73Å; K129-L196 HydrophobicContact CD-CD2 4.31Å; K129-L196 HydrophobicContact CG-CD1 4.3Å; K129-E805 VanDerWaalsContact NZ-CG 3.29Å; K129-E805 IonicContact NZ-OE1 2.73Å; K129-E805 PolarHBondContact NZ-OE1 3.47Å
130F93.5Very high89.9Confident6 Ų637 Ų373%0.02619%0.187CC..Hα-helixtrans-60.6-48.6-179.8170.2-96.2000111.9E126 E127 T132 A133 L134 T193 L196 V197 R227E126-F130 PolarHBondContact O-N 3.1Å; E127-F130 PolarHBondContact O-N 2.94Å; F130-T132 VanDerWaalsContact C-N 3.3Å; F130-T132 PolarHBondContact O-N 2.67Å; F130-A133 PolarHBondContact O-N 3.04Å; F130-L134 HydrophobicContact CE1-CB 4.38Å; F130-L134 HydrophobicContact CE1-CD2 3.93Å; F130-L134 HydrophobicContact CE2-CD1 4.45Å; F130-L134 HydrophobicContact CZ-CB 4.31Å; F130-L134 HydrophobicContact CZ-CD1 3.92Å; F130-L134 HydrophobicContact CZ-CD2 4.04Å; F130-L134 HydrophobicContact CZ-CG 4.34Å; F130-L134 WeakPolarHBondContact O-CB 3.46Å; F130-L134 PolarHBondContact O-N 3Å; F130-T193 HydrophobicContact CD2-CG2 4.06Å; F130-T193 HydrophobicContact CE2-CG2 3.78Å; F130-L196 HydrophobicContact CD2-CB 4.48Å; F130-V197 HydrophobicContact CD2-CG2 3.72Å; F130-V197 HydrophobicContact CE2-CG2 3.24Å; F130-V197 HydrophobicContact CZ-CG2 4.02Å; F130-R227 VanDerWaalsContact CD1-CD 3.48Å; F130-R227 HydrophobicContact CD1-CG 3.85Å; F130-R227 HydrophobicContact CE1-CB 3.84Å; F130-R227 HydrophobicContact CE1-CG 3.4Å; F130-R227 HydrophobicContact CE2-CB 4.28Å; F130-R227 HydrophobicContact CZ-CB 3.65Å; F130-R227 HydrophobicContact CZ-CG 3.78Å
131T93.3Very high90.6Very high66 Ų6633.6 Ų33.641%0.40517%0.165SC..Hα-helixtrans-63.8-34-179.149.10000112.6E127 L128 G135E127-T131 HydrophobicContact CG-CG2 4.41Å; E127-T131 WeakPolarHBondContact O-CB 3.05Å; E127-T131 WeakPolarHBondContact O-CG2 3.45Å; E127-T131 PolarHBondContact O-N 3.27Å; E127-T131 PolarHBondContact O-OG1 2.9Å; L128-T131 WeakPolarHBondContact CA-OG1 3.01Å; L128-T131 PolarHBondContact O-OG1 3.39Å; T131-G135 PolarHBondContact O-N 3.43Å
132T93.2Very high91.1Very high7 Ų739.4 Ų39.44%0.04319%0.187CC..Hα-helixtrans-69.3-42.7174-53.50000112.2P38 F41 L42 F48 L128 K129 F130 G135 R136P38-T132 HydrophobicContact CB-CG2 4.48Å; P38-T132 WeakPolarHBondContact CB-OG1 3.44Å; F41-T132 HydrophobicContact CB-CG2 3.95Å; L42-T132 HydrophobicContact CD2-CG2 4.12Å; F48-T132 HydrophobicContact CE1-CG2 4.05Å; F48-T132 HydrophobicContact CZ-CG2 4.29Å; L128-T132 WeakPolarHBondContact O-CB 3.33Å; L128-T132 PolarHBondContact O-N 3.02Å; L128-T132 VanDerWaalsContact O-N 3.09Å; L128-T132 PolarHBondContact O-OG1 2.92Å; K129-T132 PolarHBondContact O-N 2.96Å; F130-T132 VanDerWaalsContact C-N 3.3Å; F130-T132 PolarHBondContact O-N 2.67Å; T132-G135 PolarHBondContact O-N 2.8Å; T132-R136 PolarHBondContact O-N 2.7Å
133A93.8Very high91.5Very high23 Ų2342.4 Ų42.419%0.1920%0.201CC..Hα-helixtrans-62.7-46.5175.900000111.4K129 F130 G135 R136 L137 T193 L196K129-A133 PolarHBondContact O-N 2.73Å; F130-A133 PolarHBondContact O-N 3.04Å; A133-G135 VanDerWaalsContact C-N 3.34Å; A133-G135 PolarHBondContact O-N 3Å; A133-R136 PolarHBondContact O-N 3.43Å; A133-L137 WeakPolarHBondContact O-CB 3.34Å; A133-L137 PolarHBondContact O-N 2.94Å; A133-T193 HydrophobicContact CB-CG2 4.04Å; A133-L196 HydrophobicContact CB-CD1 4.15Å
134L94.9Very high91.9Very high20 Ų2038.7 Ų38.711%0.10518%0.184CC..Hα-helixtrans-58.1-44.5174.9-166.376.6000111.8F130 L137 Q138 T193 L231 I234F130-L134 HydrophobicContact CE1-CB 4.38Å; F130-L134 HydrophobicContact CE1-CD2 3.93Å; F130-L134 HydrophobicContact CE2-CD1 4.45Å; F130-L134 HydrophobicContact CZ-CB 4.31Å; F130-L134 HydrophobicContact CZ-CD1 3.92Å; F130-L134 HydrophobicContact CZ-CD2 4.04Å; F130-L134 HydrophobicContact CZ-CG 4.34Å; F130-L134 WeakPolarHBondContact O-CB 3.46Å; F130-L134 PolarHBondContact O-N 3Å; L134-L137 PolarHBondContact O-N 2.95Å; L134-Q138 WeakPolarHBondContact O-CG 3.33Å; L134-Q138 PolarHBondContact O-N 2.66Å; L134-T193 HydrophobicContact CD1-CG2 4.49Å; L134-L231 HydrophobicContact CD1-CD2 4.04Å; L134-I234 HydrophobicContact CD1-CD1 3.4Å; L134-I234 HydrophobicContact CG-CD1 3.99Å
135G94Very high92.1Very high16 Ų1641.8 Ų41.817%0.16519%0.194CC..Hα-helixtrans-63.7-40.217700000113.6F48 T131 T132 A133 H139F48-G135 WeakPolarHBondContact CE2-O 3.44Å; T131-G135 PolarHBondContact O-N 3.43Å; T132-G135 PolarHBondContact O-N 2.8Å; A133-G135 VanDerWaalsContact C-N 3.34Å; A133-G135 PolarHBondContact O-N 3Å; G135-H139 PolarHBondContact O-N 3.47Å
136R93.4Very high92.2Very high37 Ų3747 Ų4714%0.1422%0.221CC..Hα-helixtrans-65-45.5175.1-173.1-174.9-58.9-78.2-4.5111.2D46 F48 C49 T132 A133 Q138 H139 R140D46-R136 IonicContact OD1-NH1 2.74Å; D46-R136 PolarHBondContact OD1-NH1 3.04Å; D46-R136 IonicContact OD2-CZ 2.66Å; D46-R136 IonicContact OD2-NH1 3.46Å; D46-R136 PolarHBondContact OD2-NH1 3.23Å; F48-R136 HydrophobicContact CD1-CB 3.87Å; F48-R136 HydrophobicContact CD1-CG 3.98Å; F48-R136 HydrophobicContact CD2-CB 4.43Å; F48-R136 HydrophobicContact CE1-CB 3.8Å; F48-R136 HydrophobicContact CE1-CG 4.39Å; F48-R136 HydrophobicContact CE2-CB 4.38Å; F48-R136 HydrophobicContact CG-CB 4.18Å; F48-R136 HydrophobicContact CG-CG 4.21Å; F48-R136 HydrophobicContact CZ-CB 4.06Å; C49-R136 PolarHBondContact SG-NH2 2.96Å; T132-R136 PolarHBondContact O-N 2.7Å; A133-R136 PolarHBondContact O-N 3.43Å; R136-Q138 PolarHBondContact O-N 2.86Å; R136-H139 WeakPolarHBondContact O-CA 3.48Å; R136-H139 VanDerWaalsContact O-CB 3.27Å; R136-H139 WeakPolarHBondContact O-CB 3.43Å; R136-H139 PolarHBondContact O-N 3.3Å; R136-R140 PolarHBondContact O-N 2.69Å
137L94.4Very high92.2Very high0 Ų047.9 Ų47.90%023%0.226CC..Hα-helixtrans-61.2-44.3177.8176.662.6000111.6A133 L134 H139 R140 V141 T186 D189 L190 L231 I234A133-L137 WeakPolarHBondContact O-CB 3.34Å; A133-L137 PolarHBondContact O-N 2.94Å; L134-L137 PolarHBondContact O-N 2.95Å; L137-H139 VanDerWaalsContact C-N 3.27Å; L137-H139 PolarHBondContact O-N 3.33Å; L137-R140 PolarHBondContact O-N 3.25Å; L137-V141 WeakPolarHBondContact O-CG2 3.43Å; L137-V141 PolarHBondContact O-N 3Å; L137-T186 HydrophobicContact CD1-CG2 3.9Å; L137-T186 WeakPolarHBondContact CD1-O 3.43Å; L137-D189 HydrophobicContact CD1-CB 3.8Å; L137-L190 HydrophobicContact CD1-CB 4.08Å; L137-L190 HydrophobicContact CD2-CB 4.08Å; L137-L190 HydrophobicContact CD2-CD1 3.85Å; L137-L231 HydrophobicContact CD2-CD2 4.48Å; L137-I234 HydrophobicContact CD1-CG2 4.39Å; L137-I234 HydrophobicContact CD2-CD1 4.21Å; L137-I234 HydrophobicContact CD2-CG2 3.73Å; L137-I234 HydrophobicContact CG-CG2 3.78Å
138Q94.8Very high92Very high67 Ų6743.6 Ų43.631%0.31321%0.206SC..Hα-helixtrans-61.6-31.8172.2-73.3180-0.100113.2L134 R136 R142 I234L134-Q138 WeakPolarHBondContact O-CG 3.33Å; L134-Q138 PolarHBondContact O-N 2.66Å; R136-Q138 PolarHBondContact O-N 2.86Å; Q138-R142 WeakPolarHBondContact O-CG 3.45Å; Q138-R142 VanDerWaalsContact O-CZ 3.22Å; Q138-R142 PolarHBondContact O-N 3.17Å; Q138-R142 PolarHBondContact O-NE 3.05Å; Q138-R142 PolarHBondContact O-NH1 3.06Å; Q138-I234 HydrophobicContact CG-CD1 3.56Å; Q138-I234 HydrophobicContact CG-CG1 3.99Å
139H93Very high91.8Very high29 Ų2945.2 Ų45.213%0.13421%0.213CC..Hα-helixtrans-66.9-51174.4-163.9-79000110.6F48 G135 R136 L137 V141 R142 E143F48-H139 HydrophobicContact CB-CB 4.28Å; F48-H139 HydrophobicContact CD2-CB 3.81Å; F48-H139 AromaticContact CD2-CD2 3.92Å; F48-H139 HydrophobicContact CG-CB 4.4Å; G135-H139 PolarHBondContact O-N 3.47Å; R136-H139 WeakPolarHBondContact O-CA 3.48Å; R136-H139 VanDerWaalsContact O-CB 3.27Å; R136-H139 WeakPolarHBondContact O-CB 3.43Å; R136-H139 PolarHBondContact O-N 3.3Å; L137-H139 VanDerWaalsContact C-N 3.27Å; L137-H139 PolarHBondContact O-N 3.33Å; H139-V141 PolarHBondContact O-N 3.46Å; H139-R142 WeakPolarHBondContact O-CB 3.4Å; H139-R142 PolarHBondContact O-N 3.13Å; H139-E143 IonicContact CE1-OE1 3.23Å; H139-E143 PolarHBondContact CE1-OE1 2.9Å; H139-E143 IonicContact CE1-OE2 3.62Å; H139-E143 IonicContact CG-OE2 2.69Å; H139-E143 IonicContact ND1-OE1 3.93Å; H139-E143 PolarHBondContact ND1-OE1 2.91Å; H139-E143 IonicContact ND1-OE2 2.79Å; H139-E143 PolarHBondContact ND1-OE2 3.42Å; H139-E143 PolarHBondContact O-N 3.48Å
140R91.3Very high91.5Very high70 Ų7046.6 Ų46.626%0.26423%0.229SC..Hα-helixtrans-62.2-37.1179.3-70-169.1-179.1168.813.7114R136 L137 R142 E143 T144 T186 D189R136-R140 PolarHBondContact O-N 2.69Å; L137-R140 PolarHBondContact O-N 3.25Å; R140-R142 VanDerWaalsContact C-N 3.31Å; R140-R142 PolarHBondContact O-N 2.66Å; R140-E143 WeakPolarHBondContact CA-OE2 3.48Å; R140-E143 PolarHBondContact O-N 2.94Å; R140-T144 WeakPolarHBondContact O-CB 3.49Å; R140-T144 PolarHBondContact O-N 3.41Å; R140-T144 PolarHBondContact O-OG1 2.97Å; R140-T186 HydrophobicContact CB-CG2 4.11Å; R140-D189 IonicContact CZ-OD1 3.3Å; R140-D189 IonicContact CZ-OD2 3.96Å; R140-D189 IonicContact NE-OD2 3.66Å; R140-D189 PolarHBondContact NE-OD2 3.25Å; R140-D189 IonicContact NH1-OD1 2.75Å; R140-D189 PolarHBondContact NH1-OD1 3.38Å; R140-D189 IonicContact NH1-OD2 2.99Å; R140-D189 PolarHBondContact NH1-OD2 3.35Å; R140-D189 IonicContact NH2-OD1 3.31Å; R140-D189 IonicContact NH2-OD2 2.76Å
141V93.3Very high90.9Very high5 Ų547.8 Ų47.83%0.0324%0.235CC..Hα-helixtrans-61.9-39.1173.5171.30000111.2L137 H139 R145 T186 I234 Q237L137-V141 WeakPolarHBondContact O-CG2 3.43Å; L137-V141 PolarHBondContact O-N 3Å; H139-V141 PolarHBondContact O-N 3.46Å; V141-R145 WeakPolarHBondContact O-CB 3.43Å; V141-R145 PolarHBondContact O-N 2.98Å; V141-R145 VanDerWaalsContact O-N 3.07Å; V141-T186 HydrophobicContact CG2-CG2 3.55Å; V141-I234 HydrophobicContact CG2-CG2 4.16Å; V141-Q237 HydrophobicContact CG1-CB 4.03Å
142R92.3Very high90Very high128 Ų12847.2 Ų47.248%0.48323%0.228SC..Hα-helixtrans-69.1-40.3174.7-69.6-176.7-63.5-100.61.1112.5Q138 H139 R140 R145 L146Q138-R142 WeakPolarHBondContact O-CG 3.45Å; Q138-R142 VanDerWaalsContact O-CZ 3.22Å; Q138-R142 PolarHBondContact O-N 3.17Å; Q138-R142 PolarHBondContact O-NE 3.05Å; Q138-R142 PolarHBondContact O-NH1 3.06Å; H139-R142 WeakPolarHBondContact O-CB 3.4Å; H139-R142 PolarHBondContact O-N 3.13Å; R140-R142 VanDerWaalsContact C-N 3.31Å; R140-R142 PolarHBondContact O-N 2.66Å; R142-R145 PolarHBondContact O-N 3.45Å; R142-L146 WeakPolarHBondContact O-CG 3.45Å; R142-L146 PolarHBondContact O-N 2.71Å
143E90.9Very high88.9Confident70 Ų7053.3 Ų53.333%0.32726%0.256SS..Hα-helixtrans-63.4-45.9175.7-71167.8126.800111.7H139 R140 R145 L146 L147 M182H139-E143 IonicContact CE1-OE1 3.23Å; H139-E143 PolarHBondContact CE1-OE1 2.9Å; H139-E143 IonicContact CE1-OE2 3.62Å; H139-E143 IonicContact CG-OE2 2.69Å; H139-E143 IonicContact ND1-OE1 3.93Å; H139-E143 PolarHBondContact ND1-OE1 2.91Å; H139-E143 IonicContact ND1-OE2 2.79Å; H139-E143 PolarHBondContact ND1-OE2 3.42Å; H139-E143 PolarHBondContact O-N 3.48Å; R140-E143 WeakPolarHBondContact CA-OE2 3.48Å; R140-E143 PolarHBondContact O-N 2.94Å; E143-R145 VanDerWaalsContact C-N 3.3Å; E143-R145 PolarHBondContact O-N 3Å; E143-L146 PolarHBondContact O-N 3.3Å; E143-L147 PolarHBondContact O-N 2.77Å; E143-M182 HydrophobicContact CB-SD 4.15Å
144T88.8Confident87.3Confident1 Ų154.4 Ų54.41%0.00627%0.269CS..Hα-helixtrans-55.7-46.8175.3-56.60000111.2R140 L147 R148 L179 M182 L183R140-T144 WeakPolarHBondContact O-CB 3.49Å; R140-T144 PolarHBondContact O-N 3.41Å; R140-T144 PolarHBondContact O-OG1 2.97Å; T144-L147 PolarHBondContact O-N 2.9Å; T144-R148 PolarHBondContact O-N 2.93Å; T144-L179 HydrophobicContact CG2-CD1 3.92Å; T144-M182 VanDerWaalsContact CA-SD 3.51Å; T144-M182 PolarHBondContact N-SD 2.75Å; T144-M182 WeakPolarHBondContact OG1-CG 3.4Å; T144-L183 HydrophobicContact CG2-CD2 3.52Å; T144-L183 HydrophobicContact CG2-CG 3.67Å
145R90.5Very high85.5Confident125 Ų12558.8 Ų58.847%0.47230%0.297SS..Hα-helixtrans-60.4-46.2176.8170.4162.5-175.8161.67.8112.5V141 R142 E143 R148 E149 E241V141-R145 WeakPolarHBondContact O-CB 3.43Å; V141-R145 PolarHBondContact O-N 2.98Å; V141-R145 VanDerWaalsContact O-N 3.07Å; R142-R145 PolarHBondContact O-N 3.45Å; E143-R145 VanDerWaalsContact C-N 3.3Å; E143-R145 PolarHBondContact O-N 3Å; R145-R148 PolarHBondContact O-N 2.96Å; R145-E149 WeakPolarHBondContact CG-OE1 3.5Å; R145-E149 IonicContact CZ-OE1 2.75Å; R145-E149 VanDerWaalsContact CZ-OE1 3.3Å; R145-E149 IonicContact NE-OE1 3.45Å; R145-E149 PolarHBondContact NE-OE1 2.69Å; R145-E149 IonicContact NE-OE2 2.67Å; R145-E149 IonicContact NH2-OE1 2.72Å; R145-E149 PolarHBondContact NH2-OE1 3.48Å; R145-E149 WeakPolarHBondContact O-CB 3.42Å; R145-E149 VanDerWaalsContact O-CG 3.31Å; R145-E149 WeakPolarHBondContact O-CG 3.38Å; R145-E149 PolarHBondContact O-N 2.94Å; R145-E241 WeakPolarHBondContact CA-OE2 3.39Å; R145-E241 WeakPolarHBondContact CD-OE1 3.27Å
146L89.6Confident83.8Confident114 Ų11466 Ų6660%0.59732%0.324SS*.Hα-helixtrans-65.6-38.7178.7-71.6169.4000112R142 E143 E149 S150R142-L146 WeakPolarHBondContact O-CG 3.45Å; R142-L146 PolarHBondContact O-N 2.71Å; E143-L146 PolarHBondContact O-N 3.3Å; L146-E149 PolarHBondContact O-N 3.07Å; L146-S150 WeakPolarHBondContact O-CB 3.43Å; L146-S150 PolarHBondContact O-N 3.41Å
147L87.6Confident81.7Confident44 Ų4467.7 Ų67.723%0.2335%0.346CS..Hα-helixtrans-62.7-47.8175.7179.758.3000111.5E143 T144 S150 L151 L179 M182E143-L147 PolarHBondContact O-N 2.77Å; T144-L147 PolarHBondContact O-N 2.9Å; L147-S150 WeakPolarHBondContact O-CB 3.48Å; L147-S150 PolarHBondContact O-N 2.99Å; L147-L151 HydrophobicContact CG-CD1 4.3Å; L147-L151 PolarHBondContact O-N 2.91Å; L147-L179 HydrophobicContact CB-CD1 4.45Å; L147-L179 HydrophobicContact CD2-CB 4.06Å; L147-L179 HydrophobicContact CD2-CD1 4.19Å; L147-L179 HydrophobicContact CG-CB 4.41Å; L147-L179 HydrophobicContact CG-CD1 4.26Å; L147-M182 HydrophobicContact CD2-CE 3.71Å; L147-M182 HydrophobicContact CD2-SD 4Å
148R86.5Confident79.5Confident17 Ų1770.7 Ų70.76%0.06438%0.377CS..Hα-helixtrans-60.7-43.7173.7-178.2-172.951.959.14.1112.2T144 R145 S150 L151 Q152 L179 E241T144-R148 PolarHBondContact O-N 2.93Å; R145-R148 PolarHBondContact O-N 2.96Å; R148-S150 VanDerWaalsContact C-N 3.28Å; R148-S150 PolarHBondContact O-N 3.39Å; R148-L151 PolarHBondContact O-N 3.19Å; R148-Q152 WeakPolarHBondContact O-CB 3.39Å; R148-Q152 WeakPolarHBondContact O-CG 3.39Å; R148-Q152 PolarHBondContact O-N 3.39Å; R148-L179 HydrophobicContact CB-CD1 4.17Å; R148-L179 HydrophobicContact CB-CD2 4.18Å; R148-L179 HydrophobicContact CG-CD2 4.4Å; R148-E241 IonicContact CZ-OE1 2.64Å; R148-E241 IonicContact CZ-OE2 3.7Å; R148-E241 IonicContact NE-OE2 3.76Å; R148-E241 PolarHBondContact NE-OE2 2.92Å; R148-E241 VanDerWaalsContact NH2-CD 3.29Å; R148-E241 IonicContact NH2-OE1 3.61Å; R148-E241 PolarHBondContact NH2-OE1 3.29Å; R148-E241 IonicContact NH2-OE2 2.74Å; R148-E241 PolarHBondContact NH2-OE2 2.85Å
149E87.2Confident77.2Confident54 Ų5476.4 Ų76.425%0.25240%0.404SS..Hα-helixtrans-66.3-31.2178.8-73.4175.6-173.700112.1R145 L146 Q153R145-E149 WeakPolarHBondContact CG-OE1 3.5Å; R145-E149 IonicContact CZ-OE1 2.75Å; R145-E149 VanDerWaalsContact CZ-OE1 3.3Å; R145-E149 IonicContact NE-OE1 3.45Å; R145-E149 PolarHBondContact NE-OE1 2.69Å; R145-E149 IonicContact NE-OE2 2.67Å; R145-E149 IonicContact NH2-OE1 2.72Å; R145-E149 PolarHBondContact NH2-OE1 3.48Å; R145-E149 WeakPolarHBondContact O-CB 3.42Å; R145-E149 VanDerWaalsContact O-CG 3.31Å; R145-E149 WeakPolarHBondContact O-CG 3.38Å; R145-E149 PolarHBondContact O-N 2.94Å; L146-E149 PolarHBondContact O-N 3.07Å; E149-Q153 VanDerWaalsContact O-CG 3.27Å; E149-Q153 WeakPolarHBondContact O-CG 3.23Å; E149-Q153 PolarHBondContact O-N 2.85Å; E149-Q153 VanDerWaalsContact O-N 3.15Å
150S85.3Confident75Confident79 Ų7981 Ų8155%0.55243%0.434SS*.Hα-helixtrans-67.9-49.8170.6-173.20000112.4L146 L147 R148 Q152 Q153 G154L146-S150 WeakPolarHBondContact O-CB 3.43Å; L146-S150 PolarHBondContact O-N 3.41Å; L147-S150 WeakPolarHBondContact O-CB 3.48Å; L147-S150 PolarHBondContact O-N 2.99Å; R148-S150 VanDerWaalsContact C-N 3.28Å; R148-S150 PolarHBondContact O-N 3.39Å; S150-Q152 VanDerWaalsContact C-N 3.33Å; S150-Q152 PolarHBondContact O-N 3.04Å; S150-Q153 PolarHBondContact O-N 3.35Å; S150-Q153 VanDerWaalsContact O-N 3.1Å; S150-G154 PolarHBondContact O-N 2.64Å
151L80.9Confident72.6Confident32 Ų3282 Ų8217%0.16845%0.452CS..Hα-helixtrans-51.5-50.6174.2-85.6155.8000111.4L147 R148 Q153 G154 T155 P175 L179L147-L151 HydrophobicContact CG-CD1 4.3Å; L147-L151 PolarHBondContact O-N 2.91Å; R148-L151 PolarHBondContact O-N 3.19Å; L151-Q153 VanDerWaalsContact C-N 3.31Å; L151-Q153 PolarHBondContact O-N 3.36Å; L151-G154 PolarHBondContact O-N 2.94Å; L151-T155 PolarHBondContact O-N 3.41Å; L151-T155 PolarHBondContact O-OG1 3.29Å; L151-P175 HydrophobicContact CD2-CB 3.99Å; L151-P175 HydrophobicContact CD2-CG 4.09Å; L151-L179 HydrophobicContact CD1-CB 3.92Å; L151-L179 HydrophobicContact CD1-CD2 3.75Å; L151-L179 HydrophobicContact CD1-CG 4.35Å
152Q74.9Confident70.1Confident54 Ų5489.3 Ų89.325%0.25249%0.49SS..Hα-helixtrans-68.6-25.7-179.3-67.9-178.95.900113.7R148 S150 K156 E248R148-Q152 WeakPolarHBondContact O-CB 3.39Å; R148-Q152 WeakPolarHBondContact O-CG 3.39Å; R148-Q152 PolarHBondContact O-N 3.39Å; S150-Q152 VanDerWaalsContact C-N 3.33Å; S150-Q152 PolarHBondContact O-N 3.04Å; Q152-K156 WeakPolarHBondContact O-CD 3.33Å; Q152-K156 VanDerWaalsContact O-CG 3.26Å; Q152-K156 WeakPolarHBondContact O-CG 3.49Å; Q152-K156 PolarHBondContact O-N 3.5Å; Q152-E248 WeakPolarHBondContact CG-OE1 3.43Å; Q152-E248 PolarHBondContact NE2-OE1 3.45Å
153Q69.7Low67.5Low134 Ų13491.1 Ų91.163%0.62650%0.503SS*.Hα-helixtrans-74.7-43.5170.6-75.9176.645.200111.4E149 S150 L151 T155 K156 A157E149-Q153 VanDerWaalsContact O-CG 3.27Å; E149-Q153 WeakPolarHBondContact O-CG 3.23Å; E149-Q153 PolarHBondContact O-N 2.85Å; E149-Q153 VanDerWaalsContact O-N 3.15Å; S150-Q153 PolarHBondContact O-N 3.35Å; S150-Q153 VanDerWaalsContact O-N 3.1Å; L151-Q153 VanDerWaalsContact C-N 3.31Å; L151-Q153 PolarHBondContact O-N 3.36Å; Q153-T155 PolarHBondContact O-N 2.69Å; Q153-K156 PolarHBondContact O-N 3.08Å; Q153-K156 VanDerWaalsContact O-N 3.14Å; Q153-A157 WeakPolarHBondContact O-CB 3.43Å; Q153-A157 PolarHBondContact O-N 3.45Å
154G60.7Low65Low46 Ų4692.7 Ų92.747%0.47452%0.522SS..Hα-helixtrans-57.3-46.7173.500000112.4S150 L151 K156 A157 G158S150-G154 PolarHBondContact O-N 2.64Å; L151-G154 PolarHBondContact O-N 2.94Å; G154-K156 VanDerWaalsContact C-N 3.28Å; G154-K156 PolarHBondContact O-N 2.87Å; G154-A157 PolarHBondContact O-N 3.35Å; G154-G158 PolarHBondContact O-N 3.11Å
155T57.4Low62.8Low113 Ų11399.5 Ų99.569%0.69356%0.558SS**Hα-helixtrans-62.4-31.5176.2-49.70000113L151 Q153L151-T155 PolarHBondContact O-N 3.41Å; L151-T155 PolarHBondContact O-OG1 3.29Å; Q153-T155 PolarHBondContact O-N 2.69Å
156K57.4Low60.7Low167 Ų167101 Ų10173%0.72657%0.573SS**Hα-helixtrans-81-30.3176-73.9169.5-175.6167.90113.3Q152 Q153 G154Q152-K156 WeakPolarHBondContact O-CD 3.33Å; Q152-K156 VanDerWaalsContact O-CG 3.26Å; Q152-K156 WeakPolarHBondContact O-CG 3.49Å; Q152-K156 PolarHBondContact O-N 3.5Å; Q153-K156 PolarHBondContact O-N 3.08Å; Q153-K156 VanDerWaalsContact O-N 3.14Å; G154-K156 VanDerWaalsContact C-N 3.28Å; G154-K156 PolarHBondContact O-N 2.87Å
157A49.3Very low58.4Low72 Ų72103.8 Ų103.860%0.59558%0.583SS**Hα-helixtrans-77.2-25.517500000112.7Q153 G154 Q159Q153-A157 WeakPolarHBondContact O-CB 3.43Å; Q153-A157 PolarHBondContact O-N 3.45Å; G154-A157 PolarHBondContact O-N 3.35Å; A157-Q159 PolarHBondContact O-N 3.15Å
158G48.8Very low55.9Low64 Ų64107.2 Ų107.266%0.6661%0.611SS**THydrogen-bonded Turntrans-65.316.8-176.300000117.4G154G154-G158 PolarHBondContact O-N 3.11Å
159Q46.7Very low53.5Low186 Ų186112.1 Ų112.187%0.86965%0.645SS**THydrogen-bonded Turntrans-92.77.9171.8-144.2177.423.500113.3A157A157-Q159 PolarHBondContact O-N 3.15Å
160V45.3Very low51.2Low126 Ų126114.8 Ų114.876%0.76468%0.676SS**SBendtrans-130.2130.4179.3-173.90000112.3
161S41Very low49.1Very low92 Ų92118.9 Ų118.964%0.64369%0.692SS**  trans75.2106.8171.3-153.80000117.9H163S161-H163 PolarHBondContact O-N 2.92Å; S161-H163 VanDerWaalsContact O-N 3.09Å
162L40.3Very low47.2Very low158 Ų158120.7 Ų120.783%0.82772%0.718SS**THydrogen-bonded Turntrans-71.69.2177-112.1159.1000114.8L165L162-L165 HydrophobicContact CD2-CD1 4.44Å
163H39.5Very low46Very low165 Ų165122.6 Ų122.676%0.76473%0.734SS**THydrogen-bonded Turntrans-104-4.6-153.9-127.2-61.7000116.5S161S161-H163 PolarHBondContact O-N 2.92Å; S161-H163 VanDerWaalsContact O-N 3.09Å
164S37.9Very low45.7Very low103 Ų103117.5 Ų117.572%0.7272%0.717SS**SBendtrans-94-4.1-177.752.20000115I166S164-I166 PolarHBondContact O-N 3.29Å; S164-I166 VanDerWaalsContact O-N 3.09Å
165L41.8Very low46Very low145 Ų145118.9 Ų118.976%0.75972%0.718SS**THydrogen-bonded Turntrans-76.39.7-167.5-88165.3000116.5L162L162-L165 HydrophobicContact CD2-CD1 4.44Å
166I46.5Very low46.7Very low155 Ų155116 Ų11680%0.79570%0.702SS**THydrogen-bonded Turntrans-114.1-23.1-170.4-63.5179.8000113.5S164S164-I166 PolarHBondContact O-N 3.29Å; S164-I166 VanDerWaalsContact O-N 3.09Å
167E40.7Very low47.8Very low174 Ų174113 Ų11381%0.81369%0.691SS**  trans-128.587.1-174.9-66.7-169.4165.500113.6
168S35.4Very low49.4Very low115 Ų115113 Ų11380%0.80468%0.681SS**  trans-156.6135.9152.2-79.80000109.9
169P37.5Very low51.2Low120 Ų120110 Ų11078%0.77965%0.649SS**  trans-75.7140.8-172.329.7-34.6000112.7N171P169-N171 VanDerWaalsContact C-N 3.26Å; P169-N171 PolarHBondContact O-N 2.99Å
170A37.9Very low53.1Low110 Ų110102.1 Ų102.191%0.90961%0.614SS**SBendtrans-78.257.8-171.500000114.2
171N40.9Very low55.2Low165 Ų165100.4 Ų100.488%0.88260%0.604SS**  trans-14927.2179-150.144.7000114.7P169P169-N171 VanDerWaalsContact C-N 3.26Å; P169-N171 PolarHBondContact O-N 2.99Å
172G42.2Very low57.6Low70 Ų7099.2 Ų99.272%0.72259%0.589SS**SBendtrans-114.8142.8168.700000110.7
173T49.5Very low60Low95 Ų9591.8 Ų91.858%0.58355%0.55SS**  trans-61.9150.7169.539.90000110.7E177 D178T173-E177 WeakPolarHBondContact CA-OE2 3.26Å; T173-E177 WeakPolarHBondContact CB-OE2 3.47Å; T173-D178 PolarHBondContact OG1-OD1 3.19Å; T173-D178 VanDerWaalsContact OG1-OD1 3.13Å
174G63.8Low62.5Low27 Ų2787.8 Ų87.828%0.27853%0.532SS..  trans-72.4146.2177.700000111.2S176 E177 D178G174-S176 PolarHBondContact O-N 2.94Å; G174-E177 PolarHBondContact N-OE2 3.32Å; G174-E177 WeakPolarHBondContact O-CA 3.34Å; G174-E177 VanDerWaalsContact O-CB 3.3Å; G174-E177 WeakPolarHBondContact O-CB 3.33Å; G174-E177 PolarHBondContact O-N 3.49Å; G174-D178 PolarHBondContact O-N 2.96Å
175P67Low65.1Low75 Ų7584.4 Ų84.449%0.48751%0.513SS..Hα-helixtrans-65.8-12.5-178.127.3-35.9000113.9L151 L179L151-P175 HydrophobicContact CD2-CB 3.99Å; L151-P175 HydrophobicContact CD2-CG 4.09Å; P175-L179 PolarHBondContact O-N 3.1Å
176S71.4Confident67.5Low51 Ų5177.5 Ų77.536%0.35748%0.477SS..Hα-helixtrans-73.7-34.2166.41580000112.7G174 T180 E248G174-S176 PolarHBondContact O-N 2.94Å; S176-T180 WeakPolarHBondContact O-CB 3.41Å; S176-T180 PolarHBondContact O-N 3.38Å; S176-T180 PolarHBondContact O-OG1 2.97Å; S176-E248 PolarHBondContact OG-O 3.02Å
177E79.3Confident69.9Low106 Ų10670.1 Ų70.150%0.49544%0.439SS..Hα-helixtrans-70.4-38.1173.7-57.1-179.6116.300110.6T173 G174 T180 T181T173-E177 WeakPolarHBondContact CA-OE2 3.26Å; T173-E177 WeakPolarHBondContact CB-OE2 3.47Å; G174-E177 PolarHBondContact N-OE2 3.32Å; G174-E177 WeakPolarHBondContact O-CA 3.34Å; G174-E177 VanDerWaalsContact O-CB 3.3Å; G174-E177 WeakPolarHBondContact O-CB 3.33Å; G174-E177 PolarHBondContact O-N 3.49Å; E177-T180 WeakPolarHBondContact O-CB 3.39Å; E177-T180 PolarHBondContact O-N 2.97Å; E177-T181 WeakPolarHBondContact O-CB 3.38Å; E177-T181 PolarHBondContact O-N 3.46Å; E177-T181 PolarHBondContact O-OG1 3.09Å
178D83.6Confident72.4Confident71 Ų7162.9 Ų62.938%0.3841%0.411SS..Hα-helixtrans-62-47.8174.5-61.6-18.8000111.2T173 G174 T180 T181 M182T173-D178 PolarHBondContact OG1-OD1 3.19Å; T173-D178 VanDerWaalsContact OG1-OD1 3.13Å; G174-D178 PolarHBondContact O-N 2.96Å; D178-T180 VanDerWaalsContact C-N 3.32Å; D178-T180 PolarHBondContact O-N 3.13Å; D178-T181 PolarHBondContact O-N 3.21Å; D178-M182 WeakPolarHBondContact O-CB 3.44Å; D178-M182 PolarHBondContact O-N 3.21Å
179L86.9Confident75.2Confident0 Ų059 Ų590%038%0.382CS..Hα-helixtrans-61.3-40.8174.2179.164.8000111.7T144 L147 R148 L151 P175 M182 L183 A245 E248T144-L179 HydrophobicContact CG2-CD1 3.92Å; L147-L179 HydrophobicContact CB-CD1 4.45Å; L147-L179 HydrophobicContact CD2-CB 4.06Å; L147-L179 HydrophobicContact CD2-CD1 4.19Å; L147-L179 HydrophobicContact CG-CB 4.41Å; L147-L179 HydrophobicContact CG-CD1 4.26Å; R148-L179 HydrophobicContact CB-CD1 4.17Å; R148-L179 HydrophobicContact CB-CD2 4.18Å; R148-L179 HydrophobicContact CG-CD2 4.4Å; L151-L179 HydrophobicContact CD1-CB 3.92Å; L151-L179 HydrophobicContact CD1-CD2 3.75Å; L151-L179 HydrophobicContact CD1-CG 4.35Å; P175-L179 PolarHBondContact O-N 3.1Å; L179-M182 PolarHBondContact O-N 3.36Å; L179-L183 HydrophobicContact CD1-CD1 4.3Å; L179-L183 HydrophobicContact CD1-CG 4.48Å; L179-L183 HydrophobicContact CG-CD1 4.14Å; L179-L183 WeakPolarHBondContact O-CB 3.22Å; L179-L183 PolarHBondContact O-N 2.92Å; L179-A245 HydrophobicContact CD2-CB 4.22Å; L179-E248 HydrophobicContact CD2-CB 4.3Å; L179-E248 WeakPolarHBondContact CD2-OE2 3.39Å
180T87.3Confident78Confident21 Ų2153.4 Ų53.413%0.12935%0.345CS..Hα-helixtrans-60.6-46.4176.9-62.30000111.2S176 E177 D178 L183 Q184 L249 T253S176-T180 WeakPolarHBondContact O-CB 3.41Å; S176-T180 PolarHBondContact O-N 3.38Å; S176-T180 PolarHBondContact O-OG1 2.97Å; E177-T180 WeakPolarHBondContact O-CB 3.39Å; E177-T180 PolarHBondContact O-N 2.97Å; D178-T180 VanDerWaalsContact C-N 3.32Å; D178-T180 PolarHBondContact O-N 3.13Å; T180-L183 PolarHBondContact O-N 2.84Å; T180-Q184 VanDerWaalsContact O-CG 3.32Å; T180-Q184 WeakPolarHBondContact O-CG 3.44Å; T180-Q184 PolarHBondContact O-N 3.32Å; T180-L249 HydrophobicContact CG2-CD2 4.38Å; T180-L249 VanDerWaalsContact OG1-CD2 3.28Å; T180-L249 WeakPolarHBondContact OG1-CD2 3.38Å; T180-T253 HydrophobicContact CG2-CG2 3.64Å
181T89.4Confident80.8Confident91 Ų9151.2 Ų51.256%0.55832%0.316SS*.Hα-helixtrans-64.4-43.5178.4-56.50000111.1E177 D178 L183 Q184 G185E177-T181 WeakPolarHBondContact O-CB 3.38Å; E177-T181 PolarHBondContact O-N 3.46Å; E177-T181 PolarHBondContact O-OG1 3.09Å; D178-T181 PolarHBondContact O-N 3.21Å; T181-L183 PolarHBondContact O-N 3.31Å; T181-Q184 PolarHBondContact O-N 3.46Å; T181-G185 PolarHBondContact O-N 3.02Å
182M89.7Confident83.4Confident67 Ų6746 Ų4633%0.3330%0.296SS..Hα-helixtrans-63.9-41.2178.4-165.8177.5-6900112E143 T144 L147 D178 L179 T186E143-M182 HydrophobicContact CB-SD 4.15Å; T144-M182 VanDerWaalsContact CA-SD 3.51Å; T144-M182 PolarHBondContact N-SD 2.75Å; T144-M182 WeakPolarHBondContact OG1-CG 3.4Å; L147-M182 HydrophobicContact CD2-CE 3.71Å; L147-M182 HydrophobicContact CD2-SD 4Å; D178-M182 WeakPolarHBondContact O-CB 3.44Å; D178-M182 PolarHBondContact O-N 3.21Å; L179-M182 PolarHBondContact O-N 3.36Å; M182-T186 VanDerWaalsContact O-CB 3.31Å; M182-T186 WeakPolarHBondContact O-CB 3.32Å; M182-T186 PolarHBondContact O-N 3.24Å; M182-T186 PolarHBondContact O-OG1 2.89Å
183L91.1Very high85.9Confident1 Ų142.9 Ų42.91%0.00526%0.263CS..Hα-helixtrans-64-46173.1-81.4166000112.2T144 L179 T180 T181 G185 T186 V187 L238 E241 V242 A245 L249 L257T144-L183 HydrophobicContact CG2-CD2 3.52Å; T144-L183 HydrophobicContact CG2-CG 3.67Å; L179-L183 HydrophobicContact CD1-CD1 4.3Å; L179-L183 HydrophobicContact CD1-CG 4.48Å; L179-L183 HydrophobicContact CG-CD1 4.14Å; L179-L183 WeakPolarHBondContact O-CB 3.22Å; L179-L183 PolarHBondContact O-N 2.92Å; T180-L183 PolarHBondContact O-N 2.84Å; T181-L183 PolarHBondContact O-N 3.31Å; L183-G185 PolarHBondContact O-N 3.03Å; L183-T186 PolarHBondContact O-N 3.42Å; L183-V187 WeakPolarHBondContact O-CG2 3.46Å; L183-V187 PolarHBondContact O-N 3.23Å; L183-L238 HydrophobicContact CD2-CD1 3.81Å; L183-E241 HydrophobicContact CD2-CB 4.37Å; L183-V242 HydrophobicContact CD2-CG2 3.82Å; L183-A245 HydrophobicContact CD1-CB 4.33Å; L183-L249 HydrophobicContact CD1-CD1 3.96Å; L183-L249 HydrophobicContact CD1-CD2 4.01Å; L183-L249 HydrophobicContact CD1-CG 4.48Å; L183-L257 HydrophobicContact CB-CD1 4.17Å
184Q92.1Very high88.1Confident82 Ų8239.1 Ų39.138%0.38324%0.239SC..Hα-helixtrans-60.4-42.8177.9-73.8177.911.500112.6T180 T181 G188 L257T180-Q184 VanDerWaalsContact O-CG 3.32Å; T180-Q184 WeakPolarHBondContact O-CG 3.44Å; T180-Q184 PolarHBondContact O-N 3.32Å; T181-Q184 PolarHBondContact O-N 3.46Å; Q184-G188 PolarHBondContact O-N 3.38Å; Q184-G188 VanDerWaalsContact O-N 3.08Å; Q184-L257 HydrophobicContact CG-CD2 4.01Å
185G92.4Very high89.6Confident31 Ų3140.1 Ų40.132%0.3224%0.244SC..Hα-helixtrans-68.7-32.8175.500000113.3T181 L183 G188 D189T181-G185 PolarHBondContact O-N 3.02Å; L183-G185 PolarHBondContact O-N 3.03Å; G185-G188 PolarHBondContact O-N 3.33Å; G185-D189 PolarHBondContact O-N 2.98Å
186T93.9Very high90.8Very high1 Ų137.5 Ų37.51%0.00623%0.226CC..Hα-helixtrans-73.6-34.5177-56.10000112L137 R140 V141 M182 L183 L190 L238L137-T186 HydrophobicContact CD1-CG2 3.9Å; L137-T186 WeakPolarHBondContact CD1-O 3.43Å; R140-T186 HydrophobicContact CB-CG2 4.11Å; V141-T186 HydrophobicContact CG2-CG2 3.55Å; M182-T186 VanDerWaalsContact O-CB 3.31Å; M182-T186 WeakPolarHBondContact O-CB 3.32Å; M182-T186 PolarHBondContact O-N 3.24Å; M182-T186 PolarHBondContact O-OG1 2.89Å; L183-T186 PolarHBondContact O-N 3.42Å; T186-L190 PolarHBondContact O-N 2.95Å; T186-L190 VanDerWaalsContact O-N 3.13Å; T186-L238 HydrophobicContact CG2-CD1 3.9Å; T186-L238 HydrophobicContact CG2-CD2 3.98Å
187V94.9Very high92Very high0 Ų035 Ų350%021%0.209CC..Hα-helixtrans-67.1-36.4168.4177.60000111.2L183 L190 E191 L238 L257 R260 L261L183-V187 WeakPolarHBondContact O-CG2 3.46Å; L183-V187 PolarHBondContact O-N 3.23Å; V187-L190 WeakPolarHBondContact O-CB 3.48Å; V187-L190 PolarHBondContact O-N 3.37Å; V187-E191 WeakPolarHBondContact O-CG 3.49Å; V187-E191 PolarHBondContact O-N 3.23Å; V187-L238 HydrophobicContact CB-CD2 4.5Å; V187-L238 HydrophobicContact CG2-CD2 3.72Å; V187-L238 HydrophobicContact CG2-CG 4.25Å; V187-L257 HydrophobicContact CB-CD2 4.32Å; V187-L257 HydrophobicContact CG2-CD2 3.79Å; V187-R260 HydrophobicContact CG1-CB 3.88Å; V187-L261 HydrophobicContact CG2-CD2 4.24Å; V187-L261 HydrophobicContact CG2-CG 4.24Å
188G95.1Very high92.7Very high22 Ų2232 Ų3223%0.22720%0.196CC..Hα-helixtrans-62.9-43.717400000113.7Q184 G185 L190 E191 A192Q184-G188 PolarHBondContact O-N 3.38Å; Q184-G188 VanDerWaalsContact O-N 3.08Å; G185-G188 PolarHBondContact O-N 3.33Å; G188-L190 VanDerWaalsContact C-N 3.27Å; G188-L190 PolarHBondContact O-N 2.9Å; G188-E191 PolarHBondContact O-N 3.21Å; G188-A192 WeakPolarHBondContact O-CB 3.43Å; G188-A192 PolarHBondContact O-N 2.96Å
189D93.9Very high93Very high34 Ų3431.5 Ų31.518%0.18219%0.19CC..Hα-helixtrans-63.2-33.6173.2-85.828.4000111.9L137 R140 G185 T193L137-D189 HydrophobicContact CD1-CB 3.8Å; R140-D189 IonicContact CZ-OD1 3.3Å; R140-D189 IonicContact CZ-OD2 3.96Å; R140-D189 IonicContact NE-OD2 3.66Å; R140-D189 PolarHBondContact NE-OD2 3.25Å; R140-D189 IonicContact NH1-OD1 2.75Å; R140-D189 PolarHBondContact NH1-OD1 3.38Å; R140-D189 IonicContact NH1-OD2 2.99Å; R140-D189 PolarHBondContact NH1-OD2 3.35Å; R140-D189 IonicContact NH2-OD1 3.31Å; R140-D189 IonicContact NH2-OD2 2.76Å; G185-D189 PolarHBondContact O-N 2.98Å; D189-T193 WeakPolarHBondContact O-CB 3.31Å; D189-T193 PolarHBondContact O-N 3.09Å; D189-T193 PolarHBondContact O-OG1 2.89Å
190L96.2Very high93.3Very high1 Ų133.8 Ų33.81%0.00520%0.199CC..Hα-helixtrans-67.7-46.4175.417664.8000111.6L137 T186 V187 G188 T193 Q194 L231 Y235 L238 L261 V264L137-L190 HydrophobicContact CD1-CB 4.08Å; L137-L190 HydrophobicContact CD2-CB 4.08Å; L137-L190 HydrophobicContact CD2-CD1 3.85Å; T186-L190 PolarHBondContact O-N 2.95Å; T186-L190 VanDerWaalsContact O-N 3.13Å; V187-L190 WeakPolarHBondContact O-CB 3.48Å; V187-L190 PolarHBondContact O-N 3.37Å; G188-L190 VanDerWaalsContact C-N 3.27Å; G188-L190 PolarHBondContact O-N 2.9Å; L190-T193 PolarHBondContact O-N 3.28Å; L190-Q194 WeakPolarHBondContact O-CB 3.36Å; L190-Q194 PolarHBondContact O-N 3.4Å; L190-L231 HydrophobicContact CD1-CD2 3.9Å; L190-Y235 HydrophobicContact CD2-CD2 4.44Å; L190-L238 HydrophobicContact CD2-CD2 4.01Å; L190-L261 HydrophobicContact CD2-CD2 3.74Å; L190-V264 HydrophobicContact CD1-CG1 4.47Å; L190-V264 HydrophobicContact CD2-CG1 4.09Å; L190-V264 HydrophobicContact CG-CG1 4.01Å
191E96.6Very high93.6Very high64 Ų6432.8 Ų32.830%0.29919%0.193SC..Hα-helixtrans-58.6-46174.3-71.6162.4173.400111.4V187 G188 T193 Q194 A195 R260 V264V187-E191 WeakPolarHBondContact O-CG 3.49Å; V187-E191 PolarHBondContact O-N 3.23Å; G188-E191 PolarHBondContact O-N 3.21Å; E191-T193 PolarHBondContact O-N 2.96Å; E191-Q194 WeakPolarHBondContact O-CB 3.39Å; E191-Q194 PolarHBondContact O-N 3.09Å; E191-A195 PolarHBondContact O-N 3.01Å; E191-R260 VanDerWaalsContact CD-NH2 3.25Å; E191-R260 IonicContact OE1-CZ 2.7Å; E191-R260 IonicContact OE1-NE 2.95Å; E191-R260 PolarHBondContact OE1-NE 3.21Å; E191-R260 IonicContact OE1-NH2 3.62Å; E191-R260 PolarHBondContact OE1-NH2 3.24Å; E191-R260 IonicContact OE2-CZ 3.37Å; E191-R260 IonicContact OE2-NE 2.93Å; E191-R260 IonicContact OE2-NH2 2.7Å; E191-R260 PolarHBondContact OE2-NH2 3.5Å; E191-V264 HydrophobicContact CG-CG2 3.54Å
192A94.1Very high93.7Very high57 Ų5731.3 Ų31.347%0.47118%0.179SC..Hα-helixtrans-63.4-41176.600000112.4G188 A195 L196G188-A192 WeakPolarHBondContact O-CB 3.43Å; G188-A192 PolarHBondContact O-N 2.96Å; A192-A195 PolarHBondContact O-N 3.49Å; A192-L196 PolarHBondContact O-N 2.95Å
193T95.2Very high93.8Very high4 Ų428.5 Ų28.53%0.02517%0.165CC..Hα-helixtrans-73.3-31.7179-49.90000111.7F130 A133 L134 D189 L190 E191 L196 V197 L231F130-T193 HydrophobicContact CD2-CG2 4.06Å; F130-T193 HydrophobicContact CE2-CG2 3.78Å; A133-T193 HydrophobicContact CB-CG2 4.04Å; L134-T193 HydrophobicContact CD1-CG2 4.49Å; D189-T193 WeakPolarHBondContact O-CB 3.31Å; D189-T193 PolarHBondContact O-N 3.09Å; D189-T193 PolarHBondContact O-OG1 2.89Å; L190-T193 PolarHBondContact O-N 3.28Å; E191-T193 PolarHBondContact O-N 2.96Å; T193-L196 PolarHBondContact O-N 3.38Å; T193-V197 PolarHBondContact O-N 3.24Å; T193-L231 HydrophobicContact CG2-CD2 3.93Å
194Q96.2Very high93.9Very high16 Ų1628.8 Ų28.88%0.07517%0.167CC..Hα-helixtrans-62-46170-172.7-157.66.400111.1L190 E191 L196 V197 L198 L231 V264 L268L190-Q194 WeakPolarHBondContact O-CB 3.36Å; L190-Q194 PolarHBondContact O-N 3.4Å; E191-Q194 WeakPolarHBondContact O-CB 3.39Å; E191-Q194 PolarHBondContact O-N 3.09Å; Q194-L196 PolarHBondContact O-N 3.25Å; Q194-V197 PolarHBondContact O-N 2.95Å; Q194-L198 HydrophobicContact CG-CD1 4.15Å; Q194-L198 HydrophobicContact CG-CG 4.2Å; Q194-L198 WeakPolarHBondContact O-CG 3.38Å; Q194-L198 PolarHBondContact O-N 2.82Å; Q194-L231 HydrophobicContact CB-CD1 4.44Å; Q194-V264 HydrophobicContact CB-CG1 4.45Å; Q194-V264 HydrophobicContact CG-CG1 4.35Å; Q194-V264 PolarHBondContact NE2-O 3.41Å; Q194-L268 HydrophobicContact CG-CB 4.45Å; Q194-L268 HydrophobicContact CG-CD1 4.39Å
195A94.6Very high93.9Very high47 Ų4728.6 Ų28.639%0.38817%0.165SC..Hα-helixtrans-56-38.2179.500000112.3E191 A192 V197 L198 K199E191-A195 PolarHBondContact O-N 3.01Å; A192-A195 PolarHBondContact O-N 3.49Å; A195-V197 PolarHBondContact O-N 2.63Å; A195-L198 PolarHBondContact O-N 2.82Å; A195-K199 VanDerWaalsContact O-CB 3.27Å; A195-K199 WeakPolarHBondContact O-CB 3.4Å; A195-K199 PolarHBondContact O-N 3.27Å
196L93.6Very high94Very high20 Ų2028.8 Ų28.811%0.10516%0.155CC..Hα-helixtrans-60.7-42.8173.4-62.2176.6000112.6K129 F130 A133 A192 T193 Q194 K199 R200K129-L196 HydrophobicContact CD-CD2 4.31Å; K129-L196 HydrophobicContact CG-CD1 4.3Å; F130-L196 HydrophobicContact CD2-CB 4.48Å; A133-L196 HydrophobicContact CB-CD1 4.15Å; A192-L196 PolarHBondContact O-N 2.95Å; T193-L196 PolarHBondContact O-N 3.38Å; Q194-L196 PolarHBondContact O-N 3.25Å; L196-K199 PolarHBondContact O-N 2.86Å; L196-R200 PolarHBondContact O-N 3.31Å
197V95.1Very high93.9Very high0 Ų029.4 Ų29.40%016%0.158CC..Hα-helixtrans-70.3-43.3179.2176.90000111.5F130 T193 Q194 A195 K199 R200 I201 R227 L231 L268F130-V197 HydrophobicContact CD2-CG2 3.72Å; F130-V197 HydrophobicContact CE2-CG2 3.24Å; F130-V197 HydrophobicContact CZ-CG2 4.02Å; T193-V197 PolarHBondContact O-N 3.24Å; Q194-V197 PolarHBondContact O-N 2.95Å; A195-V197 PolarHBondContact O-N 2.63Å; V197-K199 VanDerWaalsContact C-N 3.28Å; V197-K199 PolarHBondContact O-N 2.71Å; V197-R200 PolarHBondContact O-N 2.9Å; V197-I201 HydrophobicContact CG1-CD1 4.26Å; V197-I201 WeakPolarHBondContact O-CG1 3.45Å; V197-I201 PolarHBondContact O-N 3Å; V197-R227 HydrophobicContact CG1-CB 4.44Å; V197-R227 HydrophobicContact CG2-CB 4Å; V197-L231 HydrophobicContact CB-CD1 4.01Å; V197-L231 HydrophobicContact CG2-CD1 3.57Å; V197-L268 HydrophobicContact CG1-CD1 4.32Å
198L94.2Very high93.9Very high42 Ų4230.1 Ų30.122%0.2216%0.162CC..Hα-helixtrans-58-43.7173.9-63.7-178.2000110.8Q194 A195 I201 Q202 L268 S271Q194-L198 HydrophobicContact CG-CD1 4.15Å; Q194-L198 HydrophobicContact CG-CG 4.2Å; Q194-L198 WeakPolarHBondContact O-CG 3.38Å; Q194-L198 PolarHBondContact O-N 2.82Å; A195-L198 PolarHBondContact O-N 2.82Å; L198-I201 WeakPolarHBondContact O-CB 3.17Å; L198-I201 PolarHBondContact O-N 3.1Å; L198-Q202 WeakPolarHBondContact O-CG 3.48Å; L198-Q202 PolarHBondContact O-N 2.62Å; L198-L268 HydrophobicContact CD2-CD1 4.48Å; L198-S271 WeakPolarHBondContact CD2-OG 3.29Å
199K90.9Very high93.8Very high61 Ų6129.6 Ų29.627%0.26515%0.153SC..Hα-helixtrans-62.5-43175.2-160.6174-148.2175.30112.4A195 L196 V197 I201 Q202 I203 E805 T809A195-K199 VanDerWaalsContact O-CB 3.27Å; A195-K199 WeakPolarHBondContact O-CB 3.4Å; A195-K199 PolarHBondContact O-N 3.27Å; L196-K199 PolarHBondContact O-N 2.86Å; V197-K199 VanDerWaalsContact C-N 3.28Å; V197-K199 PolarHBondContact O-N 2.71Å; K199-I201 VanDerWaalsContact C-N 3.3Å; K199-I201 PolarHBondContact O-N 3.19Å; K199-Q202 PolarHBondContact O-N 2.74Å; K199-Q202 VanDerWaalsContact O-N 3.16Å; K199-I203 WeakPolarHBondContact O-CG1 3.42Å; K199-I203 PolarHBondContact O-N 2.9Å; K199-E805 PolarHBondContact NZ-O 3.48Å; K199-E805 IonicContact NZ-OE2 3.61Å; K199-T809 WeakPolarHBondContact CD-OG1 3.25Å; K199-T809 WeakPolarHBondContact CE-OG1 3.46Å; K199-T809 PolarHBondContact NZ-OG1 3.32Å
200R92.8Very high93.8Very high47 Ų4729.1 Ų29.118%0.17715%0.151CC..Hα-helixtrans-64.8-32.3176.6-174.858.9-173.9105.2-6.4112.8E126 L196 V197 W204 L224E126-R200 IonicContact OE2-NE 3.69Å; L196-R200 PolarHBondContact O-N 3.31Å; V197-R200 PolarHBondContact O-N 2.9Å; R200-W204 WeakPolarHBondContact O-CB 3.46Å; R200-W204 PolarHBondContact O-N 3.29Å; R200-L224 HydrophobicContact CB-CD2 4.05Å; R200-L224 HydrophobicContact CG-CD2 3.75Å; R200-L224 HydrophobicContact CG-CG 4.36Å
201I93.9Very high93.7Very high1 Ų130.4 Ų30.41%0.00516%0.162CC..Hα-helixtrans-64.1-46170.4-70.1168.5000110.8V197 L198 K199 I203 W204 K205 L224 L274V197-I201 HydrophobicContact CG1-CD1 4.26Å; V197-I201 WeakPolarHBondContact O-CG1 3.45Å; V197-I201 PolarHBondContact O-N 3Å; L198-I201 WeakPolarHBondContact O-CB 3.17Å; L198-I201 PolarHBondContact O-N 3.1Å; K199-I201 VanDerWaalsContact C-N 3.3Å; K199-I201 PolarHBondContact O-N 3.19Å; I201-I203 PolarHBondContact O-N 3.22Å; I201-W204 PolarHBondContact O-N 2.99Å; I201-K205 WeakPolarHBondContact O-CG 3.26Å; I201-K205 PolarHBondContact O-N 2.92Å; I201-L224 HydrophobicContact CG1-CD1 4.08Å; I201-L224 HydrophobicContact CG1-CD2 3.68Å; I201-L224 HydrophobicContact CG1-CG 4.48Å; I201-L274 HydrophobicContact CG2-CD1 4.38Å; I201-L274 HydrophobicContact CG2-CD2 3.76Å
202Q91.8Very high93.5Very high60 Ų6029.2 Ų29.228%0.2817%0.167SC..Hα-helixtrans-63.7-41176.8-59.3-67.262.200111.7L198 K199 W204 K205 R206 V435 D436L198-Q202 WeakPolarHBondContact O-CG 3.48Å; L198-Q202 PolarHBondContact O-N 2.62Å; K199-Q202 PolarHBondContact O-N 2.74Å; K199-Q202 VanDerWaalsContact O-N 3.16Å; Q202-W204 VanDerWaalsContact C-N 3.33Å; Q202-W204 PolarHBondContact O-N 3.21Å; Q202-K205 PolarHBondContact O-N 3.47Å; Q202-R206 WeakPolarHBondContact O-CB 3.31Å; Q202-R206 PolarHBondContact O-N 3.38Å; Q202-V435 HydrophobicContact CB-CG1 3.87Å; Q202-D436 PolarHBondContact NE2-OD1 2.72Å
203I90.5Very high93.5Very high7 Ų727 Ų274%0.03615%0.146CC..Hα-helixtrans-58.7-44172.4-65.2166.5000110.5K199 I201 R206 Q207 T809 L812 L813K199-I203 WeakPolarHBondContact O-CG1 3.42Å; K199-I203 PolarHBondContact O-N 2.9Å; I201-I203 PolarHBondContact O-N 3.22Å; I203-R206 PolarHBondContact O-N 3.38Å; I203-Q207 HydrophobicContact CG2-CG 4.34Å; I203-Q207 WeakPolarHBondContact O-CB 3.24Å; I203-Q207 WeakPolarHBondContact O-CG 3.43Å; I203-Q207 PolarHBondContact O-N 3.49Å; I203-T809 HydrophobicContact CD1-CG2 4.04Å; I203-T809 HydrophobicContact CG1-CG2 4.12Å; I203-L812 HydrophobicContact CD1-CD1 4.12Å; I203-L813 HydrophobicContact CG2-CD2 4.48Å
204W93.4Very high93.2Very high8 Ų828.1 Ų28.13%0.0316%0.159CC..Hα-helixtrans-64.1-42.1177.2179.188.9000112.6R200 I201 Q202 R206 Q207 Q208 F217 L221 L224 L274R200-W204 WeakPolarHBondContact O-CB 3.46Å; R200-W204 PolarHBondContact O-N 3.29Å; I201-W204 PolarHBondContact O-N 2.99Å; Q202-W204 VanDerWaalsContact C-N 3.33Å; Q202-W204 PolarHBondContact O-N 3.21Å; W204-R206 VanDerWaalsContact C-N 3.33Å; W204-R206 PolarHBondContact O-N 3.32Å; W204-Q207 WeakPolarHBondContact O-CB 3.29Å; W204-Q207 PolarHBondContact O-N 2.69Å; W204-Q208 PolarHBondContact O-N 2.98Å; W204-F217 AromaticContact CE2-CZ 3.71Å; W204-F217 AromaticContact CZ2-CZ 3.86Å; W204-F217 HydrophobicContact CZ2-CZ 3.86Å; W204-F217 AromaticContact NE1-CE2 3.83Å; W204-F217 AromaticContact NE1-CZ 3.52Å; W204-L221 HydrophobicContact CD2-CD2 3.66Å; W204-L221 VanDerWaalsContact CE2-CD2 3.42Å; W204-L221 HydrophobicContact CE3-CD2 4.03Å; W204-L221 HydrophobicContact CG-CD2 4.25Å; W204-L221 HydrophobicContact CH2-CD1 3.94Å; W204-L221 HydrophobicContact CH2-CD2 4.01Å; W204-L221 HydrophobicContact CH2-CG 4.14Å; W204-L221 HydrophobicContact CZ2-CD1 3.87Å; W204-L221 HydrophobicContact CZ2-CD2 3.61Å; W204-L221 HydrophobicContact CZ2-CG 3.61Å; W204-L221 HydrophobicContact CZ3-CD2 4.2Å; W204-L224 HydrophobicContact CB-CD1 3.69Å; W204-L224 HydrophobicContact CD2-CD1 4.48Å; W204-L224 HydrophobicContact CG-CD1 3.86Å; W204-L274 HydrophobicContact CE3-CD1 4.39Å; W204-L274 HydrophobicContact CZ3-CB 4.43Å; W204-L274 HydrophobicContact CZ3-CD1 4.32Å
205K93.6Very high92.9Very high78 Ų7827.9 Ų27.934%0.33916%0.159SC..Hα-helixtrans-60.9-41.7174.2-69.5176.1-169.2162.60111.8I201 Q202 Q208 Q209 L274I201-K205 WeakPolarHBondContact O-CG 3.26Å; I201-K205 PolarHBondContact O-N 2.92Å; Q202-K205 PolarHBondContact O-N 3.47Å; K205-Q208 PolarHBondContact O-N 3.37Å; K205-Q209 PolarHBondContact O-N 3.12Å; K205-L274 VanDerWaalsContact CE-CD2 3.45Å
206R92.8Very high92.5Very high34 Ų3429.6 Ų29.613%0.12817%0.166CC..Hα-helixtrans-67.4-38.3177.3-174.957.4175.9141.610111.8Q202 I203 W204 Q209 L210 N430 A431 S433 V435 L813Q202-R206 WeakPolarHBondContact O-CB 3.31Å; Q202-R206 PolarHBondContact O-N 3.38Å; I203-R206 PolarHBondContact O-N 3.38Å; W204-R206 VanDerWaalsContact C-N 3.33Å; W204-R206 PolarHBondContact O-N 3.32Å; R206-Q209 WeakPolarHBondContact O-CB 3.48Å; R206-Q209 PolarHBondContact O-N 3.41Å; R206-L210 HydrophobicContact CG-CD1 4.49Å; R206-L210 WeakPolarHBondContact O-CG 3.4Å; R206-L210 PolarHBondContact O-N 3.37Å; R206-N430 PolarHBondContact NH1-O 2.74Å; R206-A431 PolarHBondContact NH2-O 2.83Å; R206-S433 PolarHBondContact NE-O 2.88Å; R206-S433 PolarHBondContact NH2-O 3.36Å; R206-V435 HydrophobicContact CB-CG2 4.21Å; R206-V435 HydrophobicContact CG-CG2 3.97Å; R206-L813 HydrophobicContact CB-CD2 4.03Å; R206-L813 HydrophobicContact CG-CD2 3.62Å
207Q91.7Very high92.2Very high15 Ų1532 Ų327%0.0718%0.176CC..Hα-helixtrans-61.7-44.3171.4-73.5169.4-2900111.4I203 W204 Q209 L210 A211 F217I203-Q207 HydrophobicContact CG2-CG 4.34Å; I203-Q207 WeakPolarHBondContact O-CB 3.24Å; I203-Q207 WeakPolarHBondContact O-CG 3.43Å; I203-Q207 PolarHBondContact O-N 3.49Å; W204-Q207 WeakPolarHBondContact O-CB 3.29Å; W204-Q207 PolarHBondContact O-N 2.69Å; Q207-Q209 VanDerWaalsContact C-N 3.32Å; Q207-Q209 PolarHBondContact O-N 3.29Å; Q207-L210 PolarHBondContact O-N 2.93Å; Q207-A211 WeakPolarHBondContact O-CB 3.25Å; Q207-A211 PolarHBondContact O-N 3.49Å; Q207-F217 HydrophobicContact CB-CD2 3.83Å; Q207-F217 HydrophobicContact CB-CE2 3.82Å
208Q95.2Very high91.8Very high15 Ų1537.1 Ų37.17%0.0720%0.203CC..Hα-helixtrans-63.1-36.2174.8-164.9-165.747.700112.3W204 K205 A211 G212 F217 V275 E276 Q278W204-Q208 PolarHBondContact O-N 2.98Å; K205-Q208 PolarHBondContact O-N 3.37Å; Q208-A211 WeakPolarHBondContact O-CB 3.35Å; Q208-A211 PolarHBondContact O-N 3Å; Q208-G212 PolarHBondContact O-N 3.45Å; Q208-F217 HydrophobicContact CB-CE1 4.18Å; Q208-F217 HydrophobicContact CB-CE2 3.95Å; Q208-F217 HydrophobicContact CB-CZ 3.59Å; Q208-F217 HydrophobicContact CG-CE1 3.95Å; Q208-F217 HydrophobicContact CG-CZ 3.82Å; Q208-V275 PolarHBondContact NE2-O 2.95Å; Q208-V275 PolarHBondContact OE1-O 3.22Å; Q208-E276 PolarHBondContact NE2-O 3.41Å; Q208-Q278 HydrophobicContact CG-CG 4.45Å
209Q94.6Very high91.3Very high11 Ų1140.7 Ų40.75%0.05122%0.222CC..Hα-helixtrans-66-46.4175.1-169.5-176.727.700112K205 R206 Q207 A211 G212 L408 D429 N430 S433K205-Q209 PolarHBondContact O-N 3.12Å; R206-Q209 WeakPolarHBondContact O-CB 3.48Å; R206-Q209 PolarHBondContact O-N 3.41Å; Q207-Q209 VanDerWaalsContact C-N 3.32Å; Q207-Q209 PolarHBondContact O-N 3.29Å; Q209-A211 VanDerWaalsContact C-N 3.27Å; Q209-A211 PolarHBondContact O-N 3.49Å; Q209-G212 PolarHBondContact O-N 3.38Å; Q209-G212 VanDerWaalsContact O-N 3.13Å; Q209-L408 HydrophobicContact CB-CD1 4.22Å; Q209-L408 HydrophobicContact CB-CD2 3.86Å; Q209-L408 HydrophobicContact CG-CD1 4.24Å; Q209-L408 HydrophobicContact CG-CD2 3.79Å; Q209-D429 PolarHBondContact NE2-OD1 2.97Å; Q209-N430 HydrophobicContact CG-CB 4.04Å; Q209-N430 WeakPolarHBondContact CG-OD1 3.32Å; Q209-S433 PolarHBondContact NE2-OG 2.69Å
210L93.7Very high91.2Very high23 Ų2340.3 Ų40.312%0.1223%0.227CC..Hα-helixtrans-65.7-31.2176.5-69.2171.4000111.9R206 Q207 G212 N213 G214 T215R206-L210 HydrophobicContact CG-CD1 4.49Å; R206-L210 WeakPolarHBondContact O-CG 3.4Å; R206-L210 PolarHBondContact O-N 3.37Å; Q207-L210 PolarHBondContact O-N 2.93Å; L210-G212 PolarHBondContact O-N 3.42Å; L210-N213 PolarHBondContact O-N 2.99Å; L210-G214 PolarHBondContact O-N 3.42Å; L210-T215 HydrophobicContact CB-CG2 4.36Å; L210-T215 WeakPolarHBondContact O-CB 3.28Å; L210-T215 PolarHBondContact O-N 3.12Å; L210-T215 PolarHBondContact O-OG1 3.04Å
211A93.6Very high91.3Very high29 Ų2938 Ų3824%0.2422%0.219CC..Hα-helixtrans-58-34.1171.500000112.9Q207 Q208 Q209 N213 G214 T215 F217Q207-A211 WeakPolarHBondContact O-CB 3.25Å; Q207-A211 PolarHBondContact O-N 3.49Å; Q208-A211 WeakPolarHBondContact O-CB 3.35Å; Q208-A211 PolarHBondContact O-N 3Å; Q209-A211 VanDerWaalsContact C-N 3.27Å; Q209-A211 PolarHBondContact O-N 3.49Å; A211-N213 PolarHBondContact O-N 3.24Å; A211-N213 VanDerWaalsContact O-N 3.17Å; A211-G214 PolarHBondContact O-N 2.77Å; A211-T215 WeakPolarHBondContact CA-O 3.44Å; A211-F217 HydrophobicContact CB-CB 3.52Å; A211-F217 HydrophobicContact CB-CD1 3.98Å; A211-F217 HydrophobicContact CB-CD2 4.43Å; A211-F217 HydrophobicContact CB-CG 3.74Å
212G91.8Very high91.2Very high39 Ų3940.5 Ų40.540%0.40224%0.236SC..THydrogen-bonded Turntrans-60.1-21.9173.500000114.1Q208 Q209 L210Q208-G212 PolarHBondContact O-N 3.45Å; Q209-G212 PolarHBondContact O-N 3.38Å; Q209-G212 VanDerWaalsContact O-N 3.13Å; L210-G212 PolarHBondContact O-N 3.42Å
213N93.8Very high91.2Very high9 Ų939.6 Ų39.65%0.04824%0.243CC..THydrogen-bonded Turntrans-96.2-3174.7-741.5000113.9L210 A211 L427 N430 A431L210-N213 PolarHBondContact O-N 2.99Å; A211-N213 PolarHBondContact O-N 3.24Å; A211-N213 VanDerWaalsContact O-N 3.17Å; N213-L427 HydrophobicContact CB-CD1 4.25Å; N213-L427 PolarHBondContact ND2-O 3Å; N213-N430 VanDerWaalsContact CG-CB 3.46Å; N213-N430 WeakPolarHBondContact ND2-CB 3.36Å; N213-N430 WeakPolarHBondContact OD1-CB 3.43Å; N213-N430 PolarHBondContact OD1-ND2 3.11Å; N213-A431 PolarHBondContact ND2-N 3.26Å
214G89.8Confident91.4Very high28 Ų2839.7 Ų39.729%0.28924%0.243SC..THydrogen-bonded Turntrans106.95.1179.100000115.8L210 A211 A461L210-G214 PolarHBondContact O-N 3.42Å; A211-G214 PolarHBondContact O-N 2.77Å; G214-A461 VanDerWaalsContact CA-CB 3.47Å
215T89.4Confident91.5Very high11 Ų1139.4 Ų39.47%0.06724%0.242CC..  trans-66.1138174.6-53.20000110.9L210 A211 F217 Q816L210-T215 HydrophobicContact CB-CG2 4.36Å; L210-T215 WeakPolarHBondContact O-CB 3.28Å; L210-T215 PolarHBondContact O-N 3.12Å; L210-T215 PolarHBondContact O-OG1 3.04Å; A211-T215 WeakPolarHBondContact CA-O 3.44Å; T215-F217 PolarHBondContact O-N 2.69Å; T215-Q816 HydrophobicContact CG2-CB 4.3Å
216P86.5Confident91.6Very high84 Ų8441.9 Ų41.955%0.54525%0.253SS..  trans-58135.3173.7-26.136.2000112.3A819P216-A819 HydrophobicContact CG-CB 3.93Å
217F88.3Confident91.7Very high69 Ų6941.4 Ų41.430%0.30325%0.251SS..  trans-141.6143.1-170.8177.9-120.4000111.6W204 Q207 Q208 A211 T215 D219W204-F217 AromaticContact CE2-CZ 3.71Å; W204-F217 AromaticContact CZ2-CZ 3.86Å; W204-F217 HydrophobicContact CZ2-CZ 3.86Å; W204-F217 AromaticContact NE1-CE2 3.83Å; W204-F217 AromaticContact NE1-CZ 3.52Å; Q207-F217 HydrophobicContact CB-CD2 3.83Å; Q207-F217 HydrophobicContact CB-CE2 3.82Å; Q208-F217 HydrophobicContact CB-CE1 4.18Å; Q208-F217 HydrophobicContact CB-CE2 3.95Å; Q208-F217 HydrophobicContact CB-CZ 3.59Å; Q208-F217 HydrophobicContact CG-CE1 3.95Å; Q208-F217 HydrophobicContact CG-CZ 3.82Å; A211-F217 HydrophobicContact CB-CB 3.52Å; A211-F217 HydrophobicContact CB-CD1 3.98Å; A211-F217 HydrophobicContact CB-CD2 4.43Å; A211-F217 HydrophobicContact CB-CG 3.74Å; T215-F217 PolarHBondContact O-N 2.69Å; F217-D219 HydrophobicContact CD1-CB 4.26Å; F217-D219 HydrophobicContact CE1-CB 3.85Å
218D85.8Confident91.9Very high108 Ų10840.7 Ų40.758%0.57825%0.248SC*.  trans-103.2112.6169.5176.412.3000108S220D218-S220 PolarHBondContact O-N 3.46Å; D218-S220 WeakPolarHBondContact OD1-CB 3.31Å; D218-S220 PolarHBondContact OD1-N 3.08Å
219D84.3Confident91.9Very high117 Ų11741.3 Ų41.363%0.62625%0.251SS*.  trans-80.9-2179.864.3-13.1000113.1F217 L221F217-D219 HydrophobicContact CD1-CB 4.26Å; F217-D219 HydrophobicContact CE1-CB 3.85Å; D219-L221 PolarHBondContact O-N 3.43Å
220S89.3Confident91.9Very high53 Ų5342.3 Ų42.337%0.37126%0.259SS..  trans-6987.4-177.3-168.40000113.6D218 S222D218-S220 PolarHBondContact O-N 3.46Å; D218-S220 WeakPolarHBondContact OD1-CB 3.31Å; D218-S220 PolarHBondContact OD1-N 3.08Å; S220-S222 PolarHBondContact O-N 2.87Å; S220-S222 PolarHBondContact OG-OG 3.42Å
221L93.2Very high92Very high0 Ų041.3 Ų41.30%025%0.254CS..THydrogen-bonded Turntrans-63.6-4.6167.7-78.5174.8000114W204 D219 G223 L224 Q225 L274 E276 R294 L296W204-L221 HydrophobicContact CD2-CD2 3.66Å; W204-L221 VanDerWaalsContact CE2-CD2 3.42Å; W204-L221 HydrophobicContact CE3-CD2 4.03Å; W204-L221 HydrophobicContact CG-CD2 4.25Å; W204-L221 HydrophobicContact CH2-CD1 3.94Å; W204-L221 HydrophobicContact CH2-CD2 4.01Å; W204-L221 HydrophobicContact CH2-CG 4.14Å; W204-L221 HydrophobicContact CZ2-CD1 3.87Å; W204-L221 HydrophobicContact CZ2-CD2 3.61Å; W204-L221 HydrophobicContact CZ2-CG 3.61Å; W204-L221 HydrophobicContact CZ3-CD2 4.2Å; D219-L221 PolarHBondContact O-N 3.43Å; L221-G223 PolarHBondContact O-N 3.3Å; L221-L224 HydrophobicContact CD2-CB 4.43Å; L221-L224 HydrophobicContact CD2-CD1 3.94Å; L221-L224 PolarHBondContact O-N 2.89Å; L221-Q225 WeakPolarHBondContact O-CB 3.38Å; L221-Q225 PolarHBondContact O-N 3.23Å; L221-L274 HydrophobicContact CD1-CD1 4.35Å; L221-L274 HydrophobicContact CD2-CD1 3.75Å; L221-E276 HydrophobicContact CD1-CB 4Å; L221-E276 HydrophobicContact CD1-CG 3.93Å; L221-R294 HydrophobicContact CD1-CB 4.32Å; L221-L296 HydrophobicContact CB-CD2 4.03Å; L221-L296 HydrophobicContact CD1-CD2 4.28Å; L221-L296 HydrophobicContact CD2-CD2 4.36Å; L221-L296 HydrophobicContact CG-CD2 4.47Å
222S91.9Very high92.1Very high53 Ų5340.5 Ų40.537%0.37125%0.246SC..Hα-helixtrans-63.2-35.1-176.870.30000113.9S220 K226S220-S222 PolarHBondContact O-N 2.87Å; S220-S222 PolarHBondContact OG-OG 3.42Å; S222-K226 WeakPolarHBondContact O-CG 3.45Å; S222-K226 PolarHBondContact O-N 3.2Å
223G92.3Very high92.2Very high40 Ų4043.4 Ų43.441%0.41225%0.249SC..Hα-helixtrans-67.8-47.5175.100000111.7L221 Q225 K226 R227L221-G223 PolarHBondContact O-N 3.3Å; G223-Q225 VanDerWaalsContact C-N 3.33Å; G223-Q225 PolarHBondContact O-N 3.2Å; G223-K226 PolarHBondContact O-N 3.38Å; G223-R227 WeakPolarHBondContact O-CG 3.26Å; G223-R227 PolarHBondContact O-N 3.35Å
224L94.8Very high92.2Very high9 Ų943 Ų435%0.04725%0.247CC..Hα-helixtrans-61.5-40.7175.6-92.9174.4000112.3R200 I201 W204 L221 K226 R227 C228 L296R200-L224 HydrophobicContact CB-CD2 4.05Å; R200-L224 HydrophobicContact CG-CD2 3.75Å; R200-L224 HydrophobicContact CG-CG 4.36Å; I201-L224 HydrophobicContact CG1-CD1 4.08Å; I201-L224 HydrophobicContact CG1-CD2 3.68Å; I201-L224 HydrophobicContact CG1-CG 4.48Å; W204-L224 HydrophobicContact CB-CD1 3.69Å; W204-L224 HydrophobicContact CD2-CD1 4.48Å; W204-L224 HydrophobicContact CG-CD1 3.86Å; L221-L224 HydrophobicContact CD2-CB 4.43Å; L221-L224 HydrophobicContact CD2-CD1 3.94Å; L221-L224 PolarHBondContact O-N 2.89Å; L224-K226 PolarHBondContact O-N 3.46Å; L224-R227 PolarHBondContact O-N 3.47Å; L224-C228 PolarHBondContact O-N 3.38Å; L224-C228 VanDerWaalsContact O-N 3.09Å; L224-C228 PolarHBondContact O-SG 3.24Å; L224-L296 HydrophobicContact CB-CD1 4.15Å
225Q95.4Very high92.4Very high2 Ų242.3 Ų42.31%0.00924%0.236CC..Hα-helixtrans-56.7-51.9178.1-177.8171.6-30.400111.8L221 G223 R227 C228 E229 L296 N354L221-Q225 WeakPolarHBondContact O-CB 3.38Å; L221-Q225 PolarHBondContact O-N 3.23Å; G223-Q225 VanDerWaalsContact C-N 3.33Å; G223-Q225 PolarHBondContact O-N 3.2Å; Q225-R227 VanDerWaalsContact C-N 3.27Å; Q225-R227 PolarHBondContact O-N 3.04Å; Q225-C228 WeakPolarHBondContact O-CB 3.36Å; Q225-C228 PolarHBondContact O-N 2.96Å; Q225-C228 VanDerWaalsContact O-N 3.1Å; Q225-E229 HydrophobicContact CG-CG 4.21Å; Q225-E229 WeakPolarHBondContact CG-OE1 3.45Å; Q225-E229 PolarHBondContact NE2-OE1 3.13Å; Q225-E229 WeakPolarHBondContact O-CG 3.42Å; Q225-E229 PolarHBondContact O-N 3.39Å; Q225-L296 HydrophobicContact CB-CB 4.3Å; Q225-L296 HydrophobicContact CB-CD2 4.13Å; Q225-L296 HydrophobicContact CG-CB 4.24Å; Q225-L296 WeakPolarHBondContact CG-O 3.34Å; Q225-N354 PolarHBondContact NE2-ND2 3.19Å; Q225-N354 PolarHBondContact NE2-O 3.22Å; Q225-N354 PolarHBondContact OE1-O 3.11Å
226K94.7Very high92.5Very high131 Ų13144.1 Ų44.157%0.5725%0.249SC*.Hα-helixtrans-57-39.3177.7-69.6174.5-178.4179.40112.8S222 G223 L224 E229 S230S222-K226 WeakPolarHBondContact O-CG 3.45Å; S222-K226 PolarHBondContact O-N 3.2Å; G223-K226 PolarHBondContact O-N 3.38Å; L224-K226 PolarHBondContact O-N 3.46Å; K226-E229 WeakPolarHBondContact CA-OE2 3.38Å; K226-E229 PolarHBondContact O-N 3.04Å; K226-S230 PolarHBondContact O-N 2.81Å; K226-S230 PolarHBondContact O-OG 2.95Å
227R95.6Very high92.9Very high24 Ų2444.1 Ų44.19%0.09124%0.242CC..Hα-helixtrans-65.9-39.1178.1-62.5-167.2-175.5-177.310.8112.3E126 F130 V197 G223 L224 Q225 L231E126-R227 IonicContact OE1-CZ 3.09Å; E126-R227 IonicContact OE1-NH1 3.47Å; E126-R227 PolarHBondContact OE1-NH1 3.1Å; E126-R227 IonicContact OE1-NH2 2.8Å; E126-R227 IonicContact OE2-CZ 3.66Å; E126-R227 IonicContact OE2-NH1 3Å; E126-R227 PolarHBondContact OE2-NH1 2.85Å; E126-R227 IonicContact OE2-NH2 2.67Å; E126-R227 PolarHBondContact OE2-NH2 3.26Å; F130-R227 VanDerWaalsContact CD1-CD 3.48Å; F130-R227 HydrophobicContact CD1-CG 3.85Å; F130-R227 HydrophobicContact CE1-CB 3.84Å; F130-R227 HydrophobicContact CE1-CG 3.4Å; F130-R227 HydrophobicContact CE2-CB 4.28Å; F130-R227 HydrophobicContact CZ-CB 3.65Å; F130-R227 HydrophobicContact CZ-CG 3.78Å; V197-R227 HydrophobicContact CG1-CB 4.44Å; V197-R227 HydrophobicContact CG2-CB 4Å; G223-R227 WeakPolarHBondContact O-CG 3.26Å; G223-R227 PolarHBondContact O-N 3.35Å; L224-R227 PolarHBondContact O-N 3.47Å; Q225-R227 VanDerWaalsContact C-N 3.27Å; Q225-R227 PolarHBondContact O-N 3.04Å; R227-L231 WeakPolarHBondContact O-CG 3.47Å; R227-L231 PolarHBondContact O-N 3.1Å
228C96.1Very high93.1Very high0 Ų040.9 Ų40.90%023%0.227CC..Hα-helixtrans-66.7-46.8172.4-63.70000111.4L224 Q225 S230 L231 V232 L297L224-C228 PolarHBondContact O-N 3.38Å; L224-C228 VanDerWaalsContact O-N 3.09Å; L224-C228 PolarHBondContact O-SG 3.24Å; Q225-C228 WeakPolarHBondContact O-CB 3.36Å; Q225-C228 PolarHBondContact O-N 2.96Å; Q225-C228 VanDerWaalsContact O-N 3.1Å; C228-S230 PolarHBondContact O-N 3.09Å; C228-L231 PolarHBondContact O-N 3.22Å; C228-V232 PolarHBondContact O-N 2.8Å; C228-V232 VanDerWaalsContact O-N 3.08Å; C228-L297 HydrophobicContact CB-CD1 4.43Å; C228-L297 HydrophobicContact CB-CD2 3.68Å; C228-L297 HydrophobicContact CB-CG 4.04Å
229E95.1Very high93.4Very high28 Ų2839.3 Ų39.313%0.13122%0.216CC..Hα-helixtrans-57.7-48.6-179.2-73.3167.6158.400111.6Q225 K226 L231 V232 E233 L297 Q300Q225-E229 HydrophobicContact CG-CG 4.21Å; Q225-E229 WeakPolarHBondContact CG-OE1 3.45Å; Q225-E229 PolarHBondContact NE2-OE1 3.13Å; Q225-E229 WeakPolarHBondContact O-CG 3.42Å; Q225-E229 PolarHBondContact O-N 3.39Å; K226-E229 WeakPolarHBondContact CA-OE2 3.38Å; K226-E229 PolarHBondContact O-N 3.04Å; E229-L231 VanDerWaalsContact C-N 3.34Å; E229-L231 PolarHBondContact O-N 3.19Å; E229-V232 PolarHBondContact O-N 2.68Å; E229-E233 WeakPolarHBondContact O-CG 3.28Å; E229-E233 PolarHBondContact O-N 3.4Å; E229-L297 HydrophobicContact CG-CD2 4.35Å; E229-Q300 HydrophobicContact CG-CG 4.48Å; E229-Q300 PolarHBondContact O-NE2 3.08Å; E229-Q300 VanDerWaalsContact O-NE2 3.09Å
230S95.5Very high93.7Very high32 Ų3239.6 Ų39.622%0.22421%0.214CC..Hα-helixtrans-67.4-28.3177.4-62.70000114.1K226 C228 I234K226-S230 PolarHBondContact O-N 2.81Å; K226-S230 PolarHBondContact O-OG 2.95Å; C228-S230 PolarHBondContact O-N 3.09Å; S230-I234 WeakPolarHBondContact O-CD1 3.23Å; S230-I234 VanDerWaalsContact O-CG1 3.31Å; S230-I234 WeakPolarHBondContact O-CG1 3.41Å; S230-I234 PolarHBondContact O-N 3.44Å
231L95.8Very high93.8Very high2 Ų237.8 Ų37.81%0.0120%0.2CC..Hα-helixtrans-69.7-39172.3-82.4-178.5000111.8L134 L137 L190 T193 Q194 V197 R227 C228 E229 I234 Y235 L268L134-L231 HydrophobicContact CD1-CD2 4.04Å; L137-L231 HydrophobicContact CD2-CD2 4.48Å; L190-L231 HydrophobicContact CD1-CD2 3.9Å; T193-L231 HydrophobicContact CG2-CD2 3.93Å; Q194-L231 HydrophobicContact CB-CD1 4.44Å; V197-L231 HydrophobicContact CB-CD1 4.01Å; V197-L231 HydrophobicContact CG2-CD1 3.57Å; R227-L231 WeakPolarHBondContact O-CG 3.47Å; R227-L231 PolarHBondContact O-N 3.1Å; C228-L231 PolarHBondContact O-N 3.22Å; E229-L231 VanDerWaalsContact C-N 3.34Å; E229-L231 PolarHBondContact O-N 3.19Å; L231-I234 PolarHBondContact O-N 3.37Å; L231-Y235 VanDerWaalsContact O-CB 3.26Å; L231-Y235 WeakPolarHBondContact O-CB 3.26Å; L231-Y235 PolarHBondContact O-N 3.31Å; L231-L268 HydrophobicContact CB-CD2 3.86Å; L231-L268 HydrophobicContact CD1-CD1 4.43Å; L231-L268 HydrophobicContact CD1-CD2 4.36Å
232V94.1Very high93.6Very high12 Ų1237.8 Ų37.87%0.07320%0.2CC..Hα-helixtrans-68.2-36.2175.8173.40000111.7C228 E229 Y235 S236 L265 L268 L297 Q300 F301C228-V232 PolarHBondContact O-N 2.8Å; C228-V232 VanDerWaalsContact O-N 3.08Å; E229-V232 PolarHBondContact O-N 2.68Å; V232-Y235 PolarHBondContact O-N 3.05Å; V232-S236 WeakPolarHBondContact O-CB 3.43Å; V232-S236 PolarHBondContact O-N 3.17Å; V232-L265 HydrophobicContact CG2-CD1 4.36Å; V232-L268 HydrophobicContact CG2-CD2 3.88Å; V232-L297 HydrophobicContact CB-CD2 4.43Å; V232-L297 HydrophobicContact CG2-CD1 3.79Å; V232-L297 HydrophobicContact CG2-CD2 3.68Å; V232-L297 HydrophobicContact CG2-CG 4.37Å; V232-Q300 VanDerWaalsContact CB-OE1 3.26Å; V232-Q300 VanDerWaalsContact CG1-OE1 3.25Å; V232-F301 HydrophobicContact CG1-CE1 4.38Å; V232-F301 HydrophobicContact CG1-CE2 4.37Å; V232-F301 HydrophobicContact CG1-CZ 3.66Å; V232-F301 HydrophobicContact CG2-CE2 4.43Å; V232-F301 HydrophobicContact CG2-CZ 4.35Å
233E93.9Very high93.5Very high99 Ų9936.9 Ų36.946%0.46320%0.199SC..Hα-helixtrans-60.3-46.6173.2-73.4168.5-175.500112.1E229 S236 Q237E229-E233 WeakPolarHBondContact O-CG 3.28Å; E229-E233 PolarHBondContact O-N 3.4Å; E233-S236 PolarHBondContact O-N 3.44Å; E233-Q237 WeakPolarHBondContact O-CG 3.1Å; E233-Q237 PolarHBondContact O-N 3.24Å; E233-Q237 VanDerWaalsContact O-N 3.11Å; E233-Q237 PolarHBondContact O-NE2 2.86Å
234I94.6Very high93.2Very high1 Ų137.3 Ų37.31%0.00520%0.198CC..Hα-helixtrans-68.2-42.8177.6-68.3167.4000111.3L134 L137 Q138 V141 S230 L231 S236 Q237 L238L134-I234 HydrophobicContact CD1-CD1 3.4Å; L134-I234 HydrophobicContact CG-CD1 3.99Å; L137-I234 HydrophobicContact CD1-CG2 4.39Å; L137-I234 HydrophobicContact CD2-CD1 4.21Å; L137-I234 HydrophobicContact CD2-CG2 3.73Å; L137-I234 HydrophobicContact CG-CG2 3.78Å; Q138-I234 HydrophobicContact CG-CD1 3.56Å; Q138-I234 HydrophobicContact CG-CG1 3.99Å; V141-I234 HydrophobicContact CG2-CG2 4.16Å; S230-I234 WeakPolarHBondContact O-CD1 3.23Å; S230-I234 VanDerWaalsContact O-CG1 3.31Å; S230-I234 WeakPolarHBondContact O-CG1 3.41Å; S230-I234 PolarHBondContact O-N 3.44Å; L231-I234 PolarHBondContact O-N 3.37Å; I234-S236 VanDerWaalsContact C-N 3.27Å; I234-S236 PolarHBondContact O-N 3.23Å; I234-Q237 WeakPolarHBondContact O-CB 3.4Å; I234-Q237 PolarHBondContact O-N 3.47Å; I234-L238 WeakPolarHBondContact O-CB 3.49Å; I234-L238 PolarHBondContact O-N 2.97Å
235Y94.2Very high92.7Very high13 Ų1336.9 Ų36.95%0.05120%0.196CC..Hα-helixtrans-53.4-46172.1161.5-84.9000111.1L190 L231 V232 Q237 L238 Q239 L261 D262 L265L190-Y235 HydrophobicContact CD2-CD2 4.44Å; L231-Y235 VanDerWaalsContact O-CB 3.26Å; L231-Y235 WeakPolarHBondContact O-CB 3.26Å; L231-Y235 PolarHBondContact O-N 3.31Å; V232-Y235 PolarHBondContact O-N 3.05Å; Y235-Q237 PolarHBondContact O-N 3.49Å; Y235-L238 PolarHBondContact O-N 2.88Å; Y235-Q239 HydrophobicContact CE1-CB 4.45Å; Y235-Q239 WeakPolarHBondContact O-CB 3.43Å; Y235-Q239 PolarHBondContact O-N 3.27Å; Y235-Q239 VanDerWaalsContact OH-CD 3.25Å; Y235-Q239 PolarHBondContact OH-NE2 2.93Å; Y235-Q239 PolarHBondContact OH-OE1 3.22Å; Y235-L261 HydrophobicContact CD2-CB 4.4Å; Y235-L261 HydrophobicContact CD2-CD2 3.83Å; Y235-L261 HydrophobicContact CE2-CB 3.75Å; Y235-L261 HydrophobicContact CE2-CD2 4.01Å; Y235-L261 HydrophobicContact CE2-CG 4.45Å; Y235-L261 VanDerWaalsContact CE2-O 3.23Å; Y235-L261 WeakPolarHBondContact CE2-O 3.44Å; Y235-D262 PolarHBondContact OH-OD1 3.16Å; Y235-L265 HydrophobicContact CD1-CD1 4.29Å; Y235-L265 HydrophobicContact CD1-CD2 4.5Å; Y235-L265 HydrophobicContact CD2-CB 4.2Å; Y235-L265 HydrophobicContact CE1-CB 4.39Å; Y235-L265 HydrophobicContact CE1-CD1 4.28Å; Y235-L265 HydrophobicContact CE1-CD2 3.7Å; Y235-L265 HydrophobicContact CE1-CG 4.35Å; Y235-L265 HydrophobicContact CE2-CB 3.73Å; Y235-L265 HydrophobicContact CE2-CD2 4.38Å; Y235-L265 WeakPolarHBondContact OH-CD2 3.34Å
236S91.9Very high92Very high49 Ų4939.7 Ų39.734%0.34322%0.216SC..Hα-helixtrans-65-39.2-179.3-178.80000111.8V232 E233 I234 Q240V232-S236 WeakPolarHBondContact O-CB 3.43Å; V232-S236 PolarHBondContact O-N 3.17Å; E233-S236 PolarHBondContact O-N 3.44Å; I234-S236 VanDerWaalsContact C-N 3.27Å; I234-S236 PolarHBondContact O-N 3.23Å; S236-Q240 VanDerWaalsContact O-CG 3.26Å; S236-Q240 WeakPolarHBondContact O-CG 3.26Å; S236-Q240 PolarHBondContact O-N 3.46Å; S236-Q240 VanDerWaalsContact O-N 3.1Å; S236-Q240 PolarHBondContact O-NE2 3.49Å; S236-Q240 PolarHBondContact OG-NE2 3.4Å
237Q94Very high91.2Very high85 Ų8537.2 Ų37.240%0.39723%0.227SC..Hα-helixtrans-62.3-49.8172-66.9164.239.200110.7V141 E233 I234 Y235 Q239 Q240 E241V141-Q237 HydrophobicContact CG1-CB 4.03Å; E233-Q237 WeakPolarHBondContact O-CG 3.1Å; E233-Q237 PolarHBondContact O-N 3.24Å; E233-Q237 VanDerWaalsContact O-N 3.11Å; E233-Q237 PolarHBondContact O-NE2 2.86Å; I234-Q237 WeakPolarHBondContact O-CB 3.4Å; I234-Q237 PolarHBondContact O-N 3.47Å; Y235-Q237 PolarHBondContact O-N 3.49Å; Q237-Q239 VanDerWaalsContact C-N 3.34Å; Q237-Q239 PolarHBondContact O-N 2.92Å; Q237-Q240 WeakPolarHBondContact O-CB 3.5Å; Q237-Q240 PolarHBondContact O-N 3Å; Q237-Q240 VanDerWaalsContact O-N 3.09Å; Q237-E241 WeakPolarHBondContact O-CG 3.13Å; Q237-E241 PolarHBondContact O-N 2.93Å
238L92.9Very high90.4Very high0 Ų037.7 Ų37.70%023%0.231CC..Hα-helixtrans-65.8-34.5-178.3-171.354.3000112.8L183 T186 V187 L190 I234 Y235 E241 V242 L261L183-L238 HydrophobicContact CD2-CD1 3.81Å; T186-L238 HydrophobicContact CG2-CD1 3.9Å; T186-L238 HydrophobicContact CG2-CD2 3.98Å; V187-L238 HydrophobicContact CB-CD2 4.5Å; V187-L238 HydrophobicContact CG2-CD2 3.72Å; V187-L238 HydrophobicContact CG2-CG 4.25Å; L190-L238 HydrophobicContact CD2-CD2 4.01Å; I234-L238 WeakPolarHBondContact O-CB 3.49Å; I234-L238 PolarHBondContact O-N 2.97Å; Y235-L238 PolarHBondContact O-N 2.88Å; L238-E241 PolarHBondContact O-N 3.23Å; L238-V242 WeakPolarHBondContact O-CG2 3.34Å; L238-V242 PolarHBondContact O-N 2.99Å; L238-L261 HydrophobicContact CD2-CD2 4.07Å; L238-L261 HydrophobicContact CG-CD2 4.2Å
239Q91.9Very high89.7Confident75 Ų7538.3 Ų38.335%0.3523%0.234SC..Hα-helixtrans-66.4-36.3172-170.1176.343.400111.9Y235 Q237 G243 L261Y235-Q239 HydrophobicContact CE1-CB 4.45Å; Y235-Q239 WeakPolarHBondContact O-CB 3.43Å; Y235-Q239 PolarHBondContact O-N 3.27Å; Y235-Q239 VanDerWaalsContact OH-CD 3.25Å; Y235-Q239 PolarHBondContact OH-NE2 2.93Å; Y235-Q239 PolarHBondContact OH-OE1 3.22Å; Q237-Q239 VanDerWaalsContact C-N 3.34Å; Q237-Q239 PolarHBondContact O-N 2.92Å; Q239-G243 PolarHBondContact O-N 2.81Å; Q239-L261 HydrophobicContact CB-CD1 4.45Å
240Q90.9Very high89.2Confident124 Ų12441.3 Ų41.358%0.57925%0.248SC*.Hα-helixtrans-66.8-39.7172.2-71.3165.659.200111.9S236 Q237 G243 A244S236-Q240 VanDerWaalsContact O-CG 3.26Å; S236-Q240 WeakPolarHBondContact O-CG 3.26Å; S236-Q240 PolarHBondContact O-N 3.46Å; S236-Q240 VanDerWaalsContact O-N 3.1Å; S236-Q240 PolarHBondContact O-NE2 3.49Å; S236-Q240 PolarHBondContact OG-NE2 3.4Å; Q237-Q240 WeakPolarHBondContact O-CB 3.5Å; Q237-Q240 PolarHBondContact O-N 3Å; Q237-Q240 VanDerWaalsContact O-N 3.09Å; Q240-G243 CarbonylContact O-C 3.5Å; Q240-G243 WeakPolarHBondContact O-CA 3.46Å; Q240-G243 PolarHBondContact O-N 3.43Å; Q240-A244 WeakPolarHBondContact O-CB 3.48Å; Q240-A244 PolarHBondContact O-N 3.49Å
241E90.3Very high88.7Confident14 Ų1444.9 Ų44.97%0.06527%0.27CS..Hα-helixtrans-64.1-47.4176.2-66.3-61.6139.300112.2R145 R148 L183 Q237 L238 G243 A244 A245R145-E241 WeakPolarHBondContact CA-OE2 3.39Å; R145-E241 WeakPolarHBondContact CD-OE1 3.27Å; R148-E241 IonicContact CZ-OE1 2.64Å; R148-E241 IonicContact CZ-OE2 3.7Å; R148-E241 IonicContact NE-OE2 3.76Å; R148-E241 PolarHBondContact NE-OE2 2.92Å; R148-E241 VanDerWaalsContact NH2-CD 3.29Å; R148-E241 IonicContact NH2-OE1 3.61Å; R148-E241 PolarHBondContact NH2-OE1 3.29Å; R148-E241 IonicContact NH2-OE2 2.74Å; R148-E241 PolarHBondContact NH2-OE2 2.85Å; L183-E241 HydrophobicContact CD2-CB 4.37Å; Q237-E241 WeakPolarHBondContact O-CG 3.13Å; Q237-E241 PolarHBondContact O-N 2.93Å; L238-E241 PolarHBondContact O-N 3.23Å; E241-G243 PolarHBondContact O-N 2.94Å; E241-A244 PolarHBondContact O-N 2.96Å; E241-A245 WeakPolarHBondContact O-CB 3.45Å; E241-A245 PolarHBondContact O-N 3.14Å
242V89.9Confident88.4Confident1 Ų152 Ų521%0.00630%0.301CS..Hα-helixtrans-64.6-29172.6176.20000112.1L183 L238 R254 L257 I258 L261L183-V242 HydrophobicContact CD2-CG2 3.82Å; L238-V242 WeakPolarHBondContact O-CG2 3.34Å; L238-V242 PolarHBondContact O-N 2.99Å; V242-R254 HydrophobicContact CG1-CG 4.08Å; V242-R254 PolarHBondContact O-NE 2.83Å; V242-L257 HydrophobicContact CG1-CB 4.1Å; V242-L257 HydrophobicContact CG2-CB 4.32Å; V242-L257 HydrophobicContact CG2-CD1 4.36Å; V242-I258 HydrophobicContact CG1-CD1 4.47Å; V242-I258 HydrophobicContact CG1-CG1 3.91Å; V242-L261 HydrophobicContact CB-CD1 4.47Å; V242-L261 HydrophobicContact CG2-CD1 4.1Å
243G88.7Confident88.1Confident34 Ų3452.7 Ų52.735%0.35131%0.306SS..Hα-helixtrans-64.2-51.4170.200000112.1Q239 Q240 E241 S246 R254Q239-G243 PolarHBondContact O-N 2.81Å; Q240-G243 CarbonylContact O-C 3.5Å; Q240-G243 WeakPolarHBondContact O-CA 3.46Å; Q240-G243 PolarHBondContact O-N 3.43Å; E241-G243 PolarHBondContact O-N 2.94Å; G243-S246 WeakPolarHBondContact O-CB 3.46Å; G243-S246 PolarHBondContact O-N 3.46Å; G243-R254 PolarHBondContact O-NH2 3.23Å; G243-R254 VanDerWaalsContact O-NH2 3.08Å
244A87.7Confident87.9Confident48 Ų4851.3 Ų51.340%0.39730%0.296SS..Hα-helixtrans-70.4-36.4-175.700000113.5Q240 E241 S246Q240-A244 WeakPolarHBondContact O-CB 3.48Å; Q240-A244 PolarHBondContact O-N 3.49Å; E241-A244 PolarHBondContact O-N 2.96Å; A244-S246 PolarHBondContact O-N 3Å
245A84.2Confident87.7Confident0 Ų054.1 Ų54.10%032%0.32CS..G310 helixtrans-71.918.1176.400000114.1L179 L183 E241 G247 E248 L249L179-A245 HydrophobicContact CD2-CB 4.22Å; L183-A245 HydrophobicContact CD1-CB 4.33Å; E241-A245 WeakPolarHBondContact O-CB 3.45Å; E241-A245 PolarHBondContact O-N 3.14Å; A245-G247 PolarHBondContact O-N 2.93Å; A245-G247 VanDerWaalsContact O-N 3.09Å; A245-E248 PolarHBondContact O-N 3.46Å; A245-L249 HydrophobicContact CB-CD1 3.71Å; A245-L249 HydrophobicContact CB-CG 3.89Å; A245-L249 WeakPolarHBondContact O-CG 3.48Å; A245-L249 PolarHBondContact O-N 3.34Å
246S79.1Confident87.6Confident61 Ų6156.6 Ų56.643%0.42734%0.339SS..G310 helixtrans-57.4-25.1-174.8-171.50000115.6G243 A244 R254G243-S246 WeakPolarHBondContact O-CB 3.46Å; G243-S246 PolarHBondContact O-N 3.46Å; A244-S246 PolarHBondContact O-N 3Å; S246-R254 VanDerWaalsContact CB-CZ 3.49Å; S246-R254 VanDerWaalsContact CB-NH2 3.33Å; S246-R254 PolarHBondContact OG-NH1 3.41Å; S246-R254 PolarHBondContact OG-NH2 3.3Å
247G77.8Confident87.7Confident79 Ų7954.4 Ų54.481%0.81432%0.323SS*.G310 helixtrans-98-6.9178.300000114A245A245-G247 PolarHBondContact O-N 2.93Å; A245-G247 VanDerWaalsContact O-N 3.09Å
248E79.4Confident87.5Confident34 Ų3453 Ų5316%0.15932%0.318CS..THydrogen-bonded Turntrans-111.9-10.1-170.2-65.6159.4-118.200112.3Q152 S176 L179 A245Q152-E248 WeakPolarHBondContact CG-OE1 3.43Å; Q152-E248 PolarHBondContact NE2-OE1 3.45Å; S176-E248 PolarHBondContact OG-O 3.02Å; L179-E248 HydrophobicContact CD2-CB 4.3Å; L179-E248 WeakPolarHBondContact CD2-OE2 3.39Å; A245-E248 PolarHBondContact O-N 3.46Å
249L81.9Confident87.5Confident14 Ų1456.5 Ų56.57%0.07334%0.343CS..SBendtrans-113.3145.6-177.4-63.8174.3000112.1T180 L183 A245 R254 L257T180-L249 HydrophobicContact CG2-CD2 4.38Å; T180-L249 VanDerWaalsContact OG1-CD2 3.28Å; T180-L249 WeakPolarHBondContact OG1-CD2 3.38Å; L183-L249 HydrophobicContact CD1-CD1 3.96Å; L183-L249 HydrophobicContact CD1-CD2 4.01Å; L183-L249 HydrophobicContact CD1-CG 4.48Å; A245-L249 HydrophobicContact CB-CD1 3.71Å; A245-L249 HydrophobicContact CB-CG 3.89Å; A245-L249 WeakPolarHBondContact O-CG 3.48Å; A245-L249 PolarHBondContact O-N 3.34Å; L249-R254 HydrophobicContact CB-CB 4.3Å; L249-R254 HydrophobicContact CD1-CB 4.36Å; L249-R254 HydrophobicContact CD1-CG 4.32Å; L249-L257 HydrophobicContact CD1-CD1 4.39Å
250E83.8Confident87.7Confident90 Ų9056.2 Ų56.242%0.42134%0.338SS..  trans-60.6135167.1-168-163.6177.900110.5K252 T253 R254E250-K252 HydrophobicContact CG-CB 4.49Å; E250-K252 PolarHBondContact O-N 3.45Å; E250-K252 VanDerWaalsContact O-N 3.15Å; E250-K252 WeakPolarHBondContact OE1-CE 3.27Å; E250-K252 WeakPolarHBondContact OE1-CG 3.39Å; E250-K252 IonicContact OE1-NZ 3.97Å; E250-K252 PolarHBondContact OE1-NZ 3.22Å; E250-T253 PolarHBondContact O-N 3.09Å; E250-T253 VanDerWaalsContact O-N 3.11Å; E250-R254 PolarHBondContact O-N 3.1Å
251P86.4Confident87.7Confident107 Ų10750.3 Ų50.370%0.69531%0.311SS*.Hα-helixtrans-50.9-37.2176.3-31.136.3000115.1A255P251-A255 WeakPolarHBondContact O-CB 3.48Å; P251-A255 PolarHBondContact O-N 3.47Å
252K88.4Confident87.7Confident151 Ų15152.5 Ų52.566%0.65732%0.323SS*.Hα-helixtrans-64.9-50.3177-58-166.1-157.594.90111.6E250 R254 A255 S256E250-K252 HydrophobicContact CG-CB 4.49Å; E250-K252 PolarHBondContact O-N 3.45Å; E250-K252 VanDerWaalsContact O-N 3.15Å; E250-K252 WeakPolarHBondContact OE1-CE 3.27Å; E250-K252 WeakPolarHBondContact OE1-CG 3.39Å; E250-K252 IonicContact OE1-NZ 3.97Å; E250-K252 PolarHBondContact OE1-NZ 3.22Å; K252-R254 VanDerWaalsContact C-N 3.34Å; K252-R254 PolarHBondContact O-N 3.27Å; K252-A255 PolarHBondContact O-N 3.49Å; K252-S256 PolarHBondContact O-N 3.28Å
253T88.8Confident87.8Confident27 Ų2757.2 Ų57.217%0.16635%0.345CS..Hα-helixtrans-64.1-39.9-179.9-58.70000111.5T180 E250 S256 L257T180-T253 HydrophobicContact CG2-CG2 3.64Å; E250-T253 PolarHBondContact O-N 3.09Å; E250-T253 VanDerWaalsContact O-N 3.11Å; T253-S256 PolarHBondContact O-N 2.98Å; T253-L257 HydrophobicContact CG2-CD1 4.26Å; T253-L257 VanDerWaalsContact O-CG 3.31Å; T253-L257 WeakPolarHBondContact O-CG 3.23Å; T253-L257 PolarHBondContact O-N 3.08Å
254R88.7Confident88.1Confident70 Ų7055.9 Ų55.926%0.26433%0.33SS..Hα-helixtrans-61.1-44.8172.6-169.6-178.6-177.4-141.87.6112.2V242 G243 S246 L249 E250 K252 L257 I258V242-R254 HydrophobicContact CG1-CG 4.08Å; V242-R254 PolarHBondContact O-NE 2.83Å; G243-R254 PolarHBondContact O-NH2 3.23Å; G243-R254 VanDerWaalsContact O-NH2 3.08Å; S246-R254 VanDerWaalsContact CB-CZ 3.49Å; S246-R254 VanDerWaalsContact CB-NH2 3.33Å; S246-R254 PolarHBondContact OG-NH1 3.41Å; S246-R254 PolarHBondContact OG-NH2 3.3Å; L249-R254 HydrophobicContact CB-CB 4.3Å; L249-R254 HydrophobicContact CD1-CB 4.36Å; L249-R254 HydrophobicContact CD1-CG 4.32Å; E250-R254 PolarHBondContact O-N 3.1Å; K252-R254 VanDerWaalsContact C-N 3.34Å; K252-R254 PolarHBondContact O-N 3.27Å; R254-L257 PolarHBondContact O-N 2.77Å; R254-I258 HydrophobicContact CG-CD1 4.09Å; R254-I258 VanDerWaalsContact O-CG1 3.31Å; R254-I258 WeakPolarHBondContact O-CG1 3.49Å; R254-I258 PolarHBondContact O-N 3.3Å
255A90.3Very high88.3Confident60 Ų6054.5 Ų54.550%0.49632%0.316SS..Hα-helixtrans-63.8-39.1176.200000112.3P251 K252 I258 S259P251-A255 WeakPolarHBondContact O-CB 3.48Å; P251-A255 PolarHBondContact O-N 3.47Å; K252-A255 PolarHBondContact O-N 3.49Å; A255-I258 PolarHBondContact O-N 2.88Å; A255-S259 WeakPolarHBondContact O-CB 3.14Å; A255-S259 PolarHBondContact O-N 3.41Å
256S93.5Very high88.7Confident66 Ų6659.3 Ų59.346%0.46233%0.334SS..Hα-helixtrans-62.9-45.6174.2-179.50000112.3K252 T253 I258 S259 R260K252-S256 PolarHBondContact O-N 3.28Å; T253-S256 PolarHBondContact O-N 2.98Å; S256-I258 PolarHBondContact O-N 3.28Å; S256-S259 PolarHBondContact O-N 2.84Å; S256-R260 WeakPolarHBondContact O-CG 2.94Å; S256-R260 PolarHBondContact O-N 2.82Å
257L92.9Very high89.3Confident2 Ų257.8 Ų57.81%0.0133%0.325CS..Hα-helixtrans-60.7-44.3175.9-71.5167.8000111.8L183 Q184 V187 V242 L249 T253 R254 R260 L261L183-L257 HydrophobicContact CB-CD1 4.17Å; Q184-L257 HydrophobicContact CG-CD2 4.01Å; V187-L257 HydrophobicContact CB-CD2 4.32Å; V187-L257 HydrophobicContact CG2-CD2 3.79Å; V242-L257 HydrophobicContact CG1-CB 4.1Å; V242-L257 HydrophobicContact CG2-CB 4.32Å; V242-L257 HydrophobicContact CG2-CD1 4.36Å; L249-L257 HydrophobicContact CD1-CD1 4.39Å; T253-L257 HydrophobicContact CG2-CD1 4.26Å; T253-L257 VanDerWaalsContact O-CG 3.31Å; T253-L257 WeakPolarHBondContact O-CG 3.23Å; T253-L257 PolarHBondContact O-N 3.08Å; R254-L257 PolarHBondContact O-N 2.77Å; L257-R260 PolarHBondContact O-N 2.86Å; L257-L261 WeakPolarHBondContact O-CB 3.46Å; L257-L261 VanDerWaalsContact O-CG 3.28Å; L257-L261 WeakPolarHBondContact O-CG 3.48Å; L257-L261 PolarHBondContact O-N 3.38Å
258I91.1Very high90.1Very high57 Ų5754.2 Ų54.229%0.29229%0.287SS..Hα-helixtrans-62.6-45.2175.9-67.6166.6000110.6V242 R254 A255 S256 R260 L261 D262V242-I258 HydrophobicContact CG1-CD1 4.47Å; V242-I258 HydrophobicContact CG1-CG1 3.91Å; R254-I258 HydrophobicContact CG-CD1 4.09Å; R254-I258 VanDerWaalsContact O-CG1 3.31Å; R254-I258 WeakPolarHBondContact O-CG1 3.49Å; R254-I258 PolarHBondContact O-N 3.3Å; A255-I258 PolarHBondContact O-N 2.88Å; S256-I258 PolarHBondContact O-N 3.28Å; I258-R260 VanDerWaalsContact C-N 3.35Å; I258-R260 PolarHBondContact O-N 3.07Å; I258-L261 WeakPolarHBondContact O-CB 3.35Å; I258-L261 PolarHBondContact O-N 2.93Å; I258-D262 PolarHBondContact O-N 2.81Å
259S92.3Very high90.8Very high73 Ų7352.6 Ų52.651%0.5128%0.279SS..Hα-helixtrans-62.9-37.9179-170.60000113.1A255 S256 E263A255-S259 WeakPolarHBondContact O-CB 3.14Å; A255-S259 PolarHBondContact O-N 3.41Å; S256-S259 PolarHBondContact O-N 2.84Å; S259-E263 PolarHBondContact O-N 2.97Å; S259-E263 VanDerWaalsContact O-N 3.14Å
260R94.8Very high91.3Very high68 Ų6854.5 Ų54.526%0.25729%0.292SS..Hα-helixtrans-66.8-45.9174.4-74.7172.566.7-1641.3111.4V187 E191 S256 L257 I258 D262 E263 V264V187-R260 HydrophobicContact CG1-CB 3.88Å; E191-R260 VanDerWaalsContact CD-NH2 3.25Å; E191-R260 IonicContact OE1-CZ 2.7Å; E191-R260 IonicContact OE1-NE 2.95Å; E191-R260 PolarHBondContact OE1-NE 3.21Å; E191-R260 IonicContact OE1-NH2 3.62Å; E191-R260 PolarHBondContact OE1-NH2 3.24Å; E191-R260 IonicContact OE2-CZ 3.37Å; E191-R260 IonicContact OE2-NE 2.93Å; E191-R260 IonicContact OE2-NH2 2.7Å; E191-R260 PolarHBondContact OE2-NH2 3.5Å; S256-R260 WeakPolarHBondContact O-CG 2.94Å; S256-R260 PolarHBondContact O-N 2.82Å; L257-R260 PolarHBondContact O-N 2.86Å; I258-R260 VanDerWaalsContact C-N 3.35Å; I258-R260 PolarHBondContact O-N 3.07Å; R260-D262 PolarHBondContact O-N 3.44Å; R260-E263 WeakPolarHBondContact O-CB 3.39Å; R260-E263 PolarHBondContact O-N 3.47Å; R260-V264 WeakPolarHBondContact O-CG2 3.46Å; R260-V264 PolarHBondContact O-N 2.91Å
261L92.7Very high91.9Very high0 Ų051.9 Ų51.90%028%0.284CS..Hα-helixtrans-56.9-49.3174.4-78.3171.8000111.3V187 L190 Y235 L238 Q239 V242 L257 I258 E263 V264 L265V187-L261 HydrophobicContact CG2-CD2 4.24Å; V187-L261 HydrophobicContact CG2-CG 4.24Å; L190-L261 HydrophobicContact CD2-CD2 3.74Å; Y235-L261 HydrophobicContact CD2-CB 4.4Å; Y235-L261 HydrophobicContact CD2-CD2 3.83Å; Y235-L261 HydrophobicContact CE2-CB 3.75Å; Y235-L261 HydrophobicContact CE2-CD2 4.01Å; Y235-L261 HydrophobicContact CE2-CG 4.45Å; Y235-L261 VanDerWaalsContact CE2-O 3.23Å; Y235-L261 WeakPolarHBondContact CE2-O 3.44Å; L238-L261 HydrophobicContact CD2-CD2 4.07Å; L238-L261 HydrophobicContact CG-CD2 4.2Å; Q239-L261 HydrophobicContact CB-CD1 4.45Å; V242-L261 HydrophobicContact CB-CD1 4.47Å; V242-L261 HydrophobicContact CG2-CD1 4.1Å; L257-L261 WeakPolarHBondContact O-CB 3.46Å; L257-L261 VanDerWaalsContact O-CG 3.28Å; L257-L261 WeakPolarHBondContact O-CG 3.48Å; L257-L261 PolarHBondContact O-N 3.38Å; I258-L261 WeakPolarHBondContact O-CB 3.35Å; I258-L261 PolarHBondContact O-N 2.93Å; L261-E263 VanDerWaalsContact C-N 3.27Å; L261-E263 PolarHBondContact O-N 3.4Å; L261-V264 WeakPolarHBondContact O-CB 3.44Å; L261-V264 PolarHBondContact O-N 3.24Å; L261-L265 PolarHBondContact O-N 2.66Å
262D90.1Very high92.3Very high61 Ų6146.8 Ų46.833%0.32625%0.251SS..Hα-helixtrans-64.3-29.8179.5-72.2-20.1000112.8Y235 I258 R260 R266Y235-D262 PolarHBondContact OH-OD1 3.16Å; I258-D262 PolarHBondContact O-N 2.81Å; R260-D262 PolarHBondContact O-N 3.44Å; D262-R266 WeakPolarHBondContact O-CB 3.21Å; D262-R266 PolarHBondContact O-N 3.33Å; D262-R266 PolarHBondContact O-NH2 2.88Å
263E92.2Very high92.7Very high99 Ų9940 Ų4046%0.46322%0.221SC..Hα-helixtrans-68.4-48.4171.8-161.663.4-112.700111.8S259 R260 L261 L265 R266 A267S259-E263 PolarHBondContact O-N 2.97Å; S259-E263 VanDerWaalsContact O-N 3.14Å; R260-E263 WeakPolarHBondContact O-CB 3.39Å; R260-E263 PolarHBondContact O-N 3.47Å; L261-E263 VanDerWaalsContact C-N 3.27Å; L261-E263 PolarHBondContact O-N 3.4Å; E263-L265 VanDerWaalsContact C-N 3.34Å; E263-L265 PolarHBondContact O-N 3.4Å; E263-R266 PolarHBondContact O-N 3.05Å; E263-R266 IonicContact OE1-CZ 2.72Å; E263-R266 IonicContact OE1-NH1 3.49Å; E263-R266 PolarHBondContact OE1-NH1 2.75Å; E263-R266 IonicContact OE2-CZ 2.7Å; E263-R266 IonicContact OE2-NH1 3.43Å; E263-R266 PolarHBondContact OE2-NH1 2.95Å; E263-A267 WeakPolarHBondContact O-CB 3.42Å; E263-A267 PolarHBondContact O-N 3.26Å
264V94.1Very high93.1Very high7 Ų738.8 Ų38.84%0.04221%0.214CC..Hα-helixtrans-54-50.9174.3167.90000110.4L190 E191 Q194 R260 L261 R266 L268L190-V264 HydrophobicContact CD1-CG1 4.47Å; L190-V264 HydrophobicContact CD2-CG1 4.09Å; L190-V264 HydrophobicContact CG-CG1 4.01Å; E191-V264 HydrophobicContact CG-CG2 3.54Å; Q194-V264 HydrophobicContact CB-CG1 4.45Å; Q194-V264 HydrophobicContact CG-CG1 4.35Å; Q194-V264 PolarHBondContact NE2-O 3.41Å; R260-V264 WeakPolarHBondContact O-CG2 3.46Å; R260-V264 PolarHBondContact O-N 2.91Å; L261-V264 WeakPolarHBondContact O-CB 3.44Å; L261-V264 PolarHBondContact O-N 3.24Å; V264-R266 PolarHBondContact O-N 3.41Å; V264-L268 VanDerWaalsContact O-CB 3.27Å; V264-L268 WeakPolarHBondContact O-CB 3.36Å; V264-L268 PolarHBondContact O-N 3.48Å
265L92.6Very high93.5Very high18 Ų1835.9 Ų35.99%0.09420%0.203CC..Hα-helixtrans-61.8-45.6-179.8-179.262.4000111.5V232 Y235 L261 E263 L268 V269 F301 L394V232-L265 HydrophobicContact CG2-CD1 4.36Å; Y235-L265 HydrophobicContact CD1-CD1 4.29Å; Y235-L265 HydrophobicContact CD1-CD2 4.5Å; Y235-L265 HydrophobicContact CD2-CB 4.2Å; Y235-L265 HydrophobicContact CE1-CB 4.39Å; Y235-L265 HydrophobicContact CE1-CD1 4.28Å; Y235-L265 HydrophobicContact CE1-CD2 3.7Å; Y235-L265 HydrophobicContact CE1-CG 4.35Å; Y235-L265 HydrophobicContact CE2-CB 3.73Å; Y235-L265 HydrophobicContact CE2-CD2 4.38Å; Y235-L265 WeakPolarHBondContact OH-CD2 3.34Å; L261-L265 PolarHBondContact O-N 2.66Å; E263-L265 VanDerWaalsContact C-N 3.34Å; E263-L265 PolarHBondContact O-N 3.4Å; L265-L268 PolarHBondContact O-N 2.88Å; L265-V269 HydrophobicContact CD1-CG2 3.94Å; L265-V269 HydrophobicContact CG-CG2 4.32Å; L265-V269 VanDerWaalsContact O-CB 3.3Å; L265-V269 WeakPolarHBondContact O-CB 3.42Å; L265-V269 VanDerWaalsContact O-CG2 3.25Å; L265-V269 WeakPolarHBondContact O-CG2 3.4Å; L265-V269 PolarHBondContact O-N 3.43Å; L265-F301 HydrophobicContact CD1-CZ 3.95Å; L265-L394 HydrophobicContact CD2-CD2 3.73Å; L265-L394 HydrophobicContact CG-CD2 4.05Å
266R91.1Very high93.8Very high101 Ų10135.8 Ų35.838%0.38119%0.193SC..Hα-helixtrans-63.4-49.2-178.1-167.4-175-43.8116.99.5111.8D262 E263 V264 L268 V269 T270D262-R266 WeakPolarHBondContact O-CB 3.21Å; D262-R266 PolarHBondContact O-N 3.33Å; D262-R266 PolarHBondContact O-NH2 2.88Å; E263-R266 PolarHBondContact O-N 3.05Å; E263-R266 IonicContact OE1-CZ 2.72Å; E263-R266 IonicContact OE1-NH1 3.49Å; E263-R266 PolarHBondContact OE1-NH1 2.75Å; E263-R266 IonicContact OE2-CZ 2.7Å; E263-R266 IonicContact OE2-NH1 3.43Å; E263-R266 PolarHBondContact OE2-NH1 2.95Å; V264-R266 PolarHBondContact O-N 3.41Å; R266-L268 VanDerWaalsContact C-N 3.34Å; R266-L268 PolarHBondContact O-N 3.08Å; R266-V269 PolarHBondContact O-N 2.73Å; R266-T270 WeakPolarHBondContact O-CG2 3.49Å; R266-T270 PolarHBondContact O-N 3.39Å; R266-T270 PolarHBondContact O-OG1 3.19Å; R266-T270 VanDerWaalsContact O-OG1 3.08Å
267A93.3Very high93.9Very high29 Ų2937.2 Ų37.224%0.2419%0.191CC..Hα-helixtrans-67.4-32.1-18000000112.8E263 T270 S271E263-A267 WeakPolarHBondContact O-CB 3.42Å; E263-A267 PolarHBondContact O-N 3.26Å; A267-T270 PolarHBondContact O-OG1 3.31Å; A267-S271 WeakPolarHBondContact O-CB 3.19Å; A267-S271 PolarHBondContact O-N 2.92Å; A267-S271 PolarHBondContact O-OG 3.32Å
268L94.9Very high94.1Very high4 Ų438.9 Ų38.92%0.02120%0.199CC..Hα-helixtrans-70.5-45.3172.4-173.563.8000111.4Q194 V197 L198 L231 V232 V264 L265 R266 S272 L297Q194-L268 HydrophobicContact CG-CB 4.45Å; Q194-L268 HydrophobicContact CG-CD1 4.39Å; V197-L268 HydrophobicContact CG1-CD1 4.32Å; L198-L268 HydrophobicContact CD2-CD1 4.48Å; L231-L268 HydrophobicContact CB-CD2 3.86Å; L231-L268 HydrophobicContact CD1-CD1 4.43Å; L231-L268 HydrophobicContact CD1-CD2 4.36Å; V232-L268 HydrophobicContact CG2-CD2 3.88Å; V264-L268 VanDerWaalsContact O-CB 3.27Å; V264-L268 WeakPolarHBondContact O-CB 3.36Å; V264-L268 PolarHBondContact O-N 3.48Å; L265-L268 PolarHBondContact O-N 2.88Å; R266-L268 VanDerWaalsContact C-N 3.34Å; R266-L268 PolarHBondContact O-N 3.08Å; L268-S272 VanDerWaalsContact O-CB 3.25Å; L268-S272 WeakPolarHBondContact O-CB 3.47Å; L268-S272 PolarHBondContact O-N 3.4Å; L268-S272 VanDerWaalsContact O-N 3.08Å; L268-S272 PolarHBondContact O-OG 3.47Å; L268-L297 HydrophobicContact CD2-CD1 4.37Å; L268-L297 HydrophobicContact CG-CD1 4.08Å
269V93.5Very high94.4Very high0 Ų036.4 Ų36.40%019%0.186CC..Hα-helixtrans-61.1-51178.6163.90000111.5L265 R266 S271 S272 F295 L297 F301 F392 L394 I401 L403L265-V269 HydrophobicContact CD1-CG2 3.94Å; L265-V269 HydrophobicContact CG-CG2 4.32Å; L265-V269 VanDerWaalsContact O-CB 3.3Å; L265-V269 WeakPolarHBondContact O-CB 3.42Å; L265-V269 VanDerWaalsContact O-CG2 3.25Å; L265-V269 WeakPolarHBondContact O-CG2 3.4Å; L265-V269 PolarHBondContact O-N 3.43Å; R266-V269 PolarHBondContact O-N 2.73Å; V269-S271 PolarHBondContact O-N 3.08Å; V269-S272 PolarHBondContact O-N 2.94Å; V269-S272 PolarHBondContact O-OG 3.45Å; V269-F295 HydrophobicContact CG1-CE2 4.26Å; V269-F295 HydrophobicContact CG1-CZ 4.21Å; V269-L297 HydrophobicContact CG2-CD1 4.06Å; V269-F301 HydrophobicContact CG2-CD2 4.36Å; V269-F301 HydrophobicContact CG2-CE2 3.74Å; V269-F301 HydrophobicContact CG2-CZ 4.39Å; V269-F392 HydrophobicContact CG1-CE1 4.43Å; V269-F392 HydrophobicContact CG1-CZ 4.12Å; V269-L394 HydrophobicContact CG2-CD2 4.4Å; V269-I401 HydrophobicContact CG1-CD1 4.36Å; V269-I401 HydrophobicContact CG1-CG2 4.33Å; V269-L403 HydrophobicContact CG1-CD2 3.98Å
270T92.8Very high94.6Very high54 Ų5435.7 Ų35.733%0.33118%0.18SC..Hα-helixtrans-63-43179.954.80000112.2R266 A267 S272 F273R266-T270 WeakPolarHBondContact O-CG2 3.49Å; R266-T270 PolarHBondContact O-N 3.39Å; R266-T270 PolarHBondContact O-OG1 3.19Å; R266-T270 VanDerWaalsContact O-OG1 3.08Å; A267-T270 PolarHBondContact O-OG1 3.31Å; T270-S272 PolarHBondContact O-N 3.24Å; T270-F273 PolarHBondContact O-N 3.35Å
271S94.9Very high94.8Very high36 Ų3633.6 Ų33.625%0.25217%0.173SC..Hα-helixtrans-69.8-18.2179.6-57.90000114.1L198 A267 V269 F273L198-S271 WeakPolarHBondContact CD2-OG 3.29Å; A267-S271 WeakPolarHBondContact O-CB 3.19Å; A267-S271 PolarHBondContact O-N 2.92Å; A267-S271 PolarHBondContact O-OG 3.32Å; V269-S271 PolarHBondContact O-N 3.08Å; S271-F273 VanDerWaalsContact C-N 3.33Å
272S96.1Very high95Very high0 Ų035.1 Ų35.10%018%0.182CC..THydrogen-bonded Turntrans-85.21.2-179.376.80000114.8L268 V269 T270 F295 L296L268-S272 VanDerWaalsContact O-CB 3.25Å; L268-S272 WeakPolarHBondContact O-CB 3.47Å; L268-S272 PolarHBondContact O-N 3.4Å; L268-S272 VanDerWaalsContact O-N 3.08Å; L268-S272 PolarHBondContact O-OG 3.47Å; V269-S272 PolarHBondContact O-N 2.94Å; V269-S272 PolarHBondContact O-OG 3.45Å; T270-S272 PolarHBondContact O-N 3.24Å; S272-F295 WeakPolarHBondContact OG-CD2 3.41Å; S272-F295 VanDerWaalsContact OG-CE2 3.24Å; S272-F295 WeakPolarHBondContact OG-CE2 3.25Å; S272-L296 PolarHBondContact O-N 3.03Å
273F96.8Very high95.3Very high7 Ų732.3 Ų32.33%0.03117%0.167CC..EExtended strand (participates in β ladder)trans-95.1113.3171.3-170.7-125.3000109.7T270 S271 V293 F295 V311 F388 T390 L403 A405T270-F273 PolarHBondContact O-N 3.35Å; S271-F273 VanDerWaalsContact C-N 3.33Å; F273-V293 HydrophobicContact CE2-CB 3.96Å; F273-V293 HydrophobicContact CE2-CG2 3.74Å; F273-V293 HydrophobicContact CZ-CB 4.08Å; F273-V293 HydrophobicContact CZ-CG1 4.35Å; F273-V293 HydrophobicContact CZ-CG2 3.77Å; F273-F295 HydrophobicContact CB-CD2 4.47Å; F273-F295 HydrophobicContact CD2-CB 4Å; F273-V311 HydrophobicContact CZ-CG1 4.01Å; F273-V311 HydrophobicContact CZ-CG2 4.4Å; F273-F388 HydrophobicContact CE1-CB 4.24Å; F273-F388 HydrophobicContact CZ-CB 4.43Å; F273-T390 HydrophobicContact CE2-CG2 4.36Å; F273-T390 HydrophobicContact CZ-CG2 4.07Å; F273-L403 HydrophobicContact CB-CB 4.23Å; F273-L403 HydrophobicContact CB-CD1 4.18Å; F273-L403 HydrophobicContact CB-CD2 4.29Å; F273-L403 HydrophobicContact CB-CG 4.48Å; F273-L403 HydrophobicContact CD1-CB 3.74Å; F273-L403 HydrophobicContact CD2-CD1 4.16Å; F273-L403 HydrophobicContact CE1-CB 4.18Å; F273-L403 HydrophobicContact CG-CB 3.96Å; F273-L403 HydrophobicContact CG-CD1 4.13Å; F273-A405 HydrophobicContact CD1-CB 3.49Å; F273-A405 VanDerWaalsContact CD1-CB 3.49Å; F273-A405 HydrophobicContact CE1-CB 3.81Å; F273-A405 HydrophobicContact CG-CB 4.28Å
274L97.3Very high95.4Very high3 Ų332 Ų322%0.01616%0.164CC..EExtended strand (participates in β ladder)trans-130.2145.8-166-61.4176.3000111.9I201 W204 K205 L221 E276 V293 R294 L296I201-L274 HydrophobicContact CG2-CD1 4.38Å; I201-L274 HydrophobicContact CG2-CD2 3.76Å; W204-L274 HydrophobicContact CE3-CD1 4.39Å; W204-L274 HydrophobicContact CZ3-CB 4.43Å; W204-L274 HydrophobicContact CZ3-CD1 4.32Å; K205-L274 VanDerWaalsContact CE-CD2 3.45Å; L221-L274 HydrophobicContact CD1-CD1 4.35Å; L221-L274 HydrophobicContact CD2-CD1 3.75Å; L274-E276 PolarHBondContact O-N 3.03Å; L274-V293 CarbonylContact O-C 3.59Å; L274-V293 WeakPolarHBondContact O-CA 3.44Å; L274-V293 WeakPolarHBondContact O-CB 3.2Å; L274-R294 PolarHBondContact N-O 2.75Å; L274-R294 PolarHBondContact O-N 2.95Å; L274-L296 HydrophobicContact CD1-CD1 3.95Å; L274-L296 HydrophobicContact CD1-CD2 4.44Å; L274-L296 HydrophobicContact CD1-CG 4.26Å
275V97.4Very high95.3Very high8 Ų832.5 Ų32.55%0.04817%0.167CC..EExtended strand (participates in β ladder)trans-81.492.6169-174.20000108.6Q208 Q278 G292 V293 F388 A405Q208-V275 PolarHBondContact NE2-O 2.95Å; Q208-V275 PolarHBondContact OE1-O 3.22Å; V275-Q278 HydrophobicContact CG1-CG 4.33Å; V275-G292 CarbonylContact C-O 3.59Å; V275-V293 HydrophobicContact CG2-CG1 4.11Å; V275-F388 HydrophobicContact CG1-CE2 4.15Å; V275-F388 HydrophobicContact CG2-CD2 3.7Å; V275-F388 HydrophobicContact CG2-CE2 3.89Å; V275-A405 HydrophobicContact CG2-CB 4.08Å
276E95.8Very high95.3Very high59 Ų5938.9 Ų38.928%0.27620%0.197SC..EExtended strand (participates in β ladder)trans-68-44.1179.2-177.4171-12400111.6Q208 L221 L274 G292 R294Q208-E276 PolarHBondContact NE2-O 3.41Å; L221-E276 HydrophobicContact CD1-CB 4Å; L221-E276 HydrophobicContact CD1-CG 3.93Å; L274-E276 PolarHBondContact O-N 3.03Å; E276-G292 PolarHBondContact N-O 2.81Å; E276-R294 HydrophobicContact CB-CB 4.05Å; E276-R294 WeakPolarHBondContact OE1-CD 3.33Å; E276-R294 IonicContact OE1-CZ 2.69Å; E276-R294 IonicContact OE1-NE 3.92Å; E276-R294 IonicContact OE1-NH1 2.91Å; E276-R294 PolarHBondContact OE1-NH1 2.87Å
277K96.1Very high95.4Very high95 Ų9537.2 Ų37.241%0.41320%0.197SC..EExtended strand (participates in β ladder)trans-114.8103.6175.2-178.2174-174.7173.40109.9A291 G292 L359K277-A291 CarbonylContact O-C 3.59Å; K277-A291 VanDerWaalsContact O-CA 3.25Å; K277-A291 WeakPolarHBondContact O-CA 3.41Å; K277-G292 PolarHBondContact N-O 3.29Å; K277-G292 PolarHBondContact O-N 3.48Å; K277-L359 HydrophobicContact CD-CD1 4.21Å
278Q97.4Very high95.5Very high38 Ų3842.6 Ų42.618%0.17822%0.215CC..PPolyproline II helixtrans-63.5148177.3-65.7-68.2-14.200111.9Q208 V275 L408Q208-Q278 HydrophobicContact CG-CG 4.45Å; V275-Q278 HydrophobicContact CG1-CG 4.33Å; Q278-L408 HydrophobicContact CG-CD1 4.02Å; Q278-L408 HydrophobicContact CG-CG 4.19Å
279P97.3Very high95.6Very high4 Ų443 Ų433%0.02622%0.217CC..PPolyproline II helixtrans-65.7161.2164.831.4-35.1000110.8Q281 F289 A291 V386 L410P279-Q281 PolarHBondContact O-N 3.05Å; P279-F289 HydrophobicContact CB-CD2 3.93Å; P279-F289 HydrophobicContact CB-CE2 3.93Å; P279-A291 HydrophobicContact CB-CB 4.33Å; P279-V386 HydrophobicContact CG-CG2 4.23Å; P279-L410 HydrophobicContact CB-CD2 4.26Å; P279-L410 HydrophobicContact CG-CD2 3.8Å
280P96.8Very high95.8Very high59 Ų5946.8 Ų46.838%0.38324%0.235SC..PPolyproline II helixtrans-62.7121.5173.327.4-34.1000110V282 L283 F289P280-V282 PolarHBondContact O-N 3.22Å; P280-L283 HydrophobicContact CG-CD1 4.09Å; P280-F289 HydrophobicContact CG-CB 3.89Å
281Q97.4Very high96Very high24 Ų2444.2 Ų44.211%0.11222%0.219CC..SBendtrans-68.4-15.4-176-68.8-173.9-90.200113.9P279 L408 P409 L410 V411 I426 N430P279-Q281 PolarHBondContact O-N 3.05Å; Q281-L408 HydrophobicContact CG-CB 4.4Å; Q281-P409 WeakPolarHBondContact CG-O 3.24Å; Q281-P409 PolarHBondContact NE2-O 3.02Å; Q281-L410 CarbonylContact O-C 3.56Å; Q281-L410 WeakPolarHBondContact O-CA 3.25Å; Q281-L410 WeakPolarHBondContact O-CB 3.3Å; Q281-V411 PolarHBondContact O-N 3.24Å; Q281-I426 HydrophobicContact CB-CB 4.45Å; Q281-I426 HydrophobicContact CB-CD1 3.94Å; Q281-I426 HydrophobicContact CB-CG1 3.94Å; Q281-I426 HydrophobicContact CB-CG2 3.64Å; Q281-I426 HydrophobicContact CG-CG2 4.34Å; Q281-I426 WeakPolarHBondContact O-CD1 3.15Å; Q281-I426 WeakPolarHBondContact O-CG1 3.44Å; Q281-N430 PolarHBondContact NE2-OD1 3.17Å; Q281-N430 PolarHBondContact OE1-ND2 3.14Å
282V97.4Very high96.1Very high31 Ų3142.7 Ų42.719%0.18821%0.209CC..EExtended strand (participates in β ladder)trans-111.3104.8160.9-1790000107.2P280 I413 A422 K423 I426P280-V282 PolarHBondContact O-N 3.22Å; V282-I413 HydrophobicContact CG1-CD1 3.71Å; V282-I413 HydrophobicContact CG1-CG1 4.09Å; V282-I413 HydrophobicContact CG1-CG2 4.17Å; V282-A422 HydrophobicContact CB-CB 4.44Å; V282-A422 HydrophobicContact CG1-CB 3.74Å; V282-A422 HydrophobicContact CG2-CB 3.85Å; V282-K423 HydrophobicContact CG2-CG 4.26Å; V282-I426 HydrophobicContact CG2-CG1 4.07Å
283L96.1Very high96.2Very high3 Ų342.7 Ų42.72%0.01621%0.209CC..EExtended strand (participates in β ladder)trans-107.6118-172.3176.159.5000110.4P280 F289 M315 L365 L410 V411 V412 I413P280-L283 HydrophobicContact CG-CD1 4.09Å; L283-F289 HydrophobicContact CD1-CB 4.06Å; L283-F289 HydrophobicContact CD1-CD1 3.56Å; L283-F289 HydrophobicContact CD1-CD2 4.5Å; L283-F289 HydrophobicContact CD1-CE1 4.05Å; L283-F289 HydrophobicContact CD1-CG 3.82Å; L283-F289 HydrophobicContact CD2-CD1 4.29Å; L283-F289 HydrophobicContact CD2-CE1 3.93Å; L283-F289 HydrophobicContact CD2-CZ 4.04Å; L283-M315 HydrophobicContact CD2-CE 4.21Å; L283-L365 HydrophobicContact CD2-CB 4.33Å; L283-L365 HydrophobicContact CD2-CD2 3.9Å; L283-L365 HydrophobicContact CG-CD2 4.47Å; L283-L410 HydrophobicContact CB-CD1 4.21Å; L283-L410 HydrophobicContact CD2-CD1 4.24Å; L283-V411 PolarHBondContact N-O 3.13Å; L283-V412 CarbonylContact O-C 3.57Å; L283-V412 WeakPolarHBondContact O-CA 3.36Å; L283-I413 PolarHBondContact O-N 3.42Å
284K94.8Very high96.2Very high93 Ų9343.5 Ų43.540%0.40421%0.212SC..EExtended strand (participates in β ladder)trans-83.4129.8173-169.5-174.3175.1-170.30111.2T287 I413 V414K284-T287 VanDerWaalsContact O-CB 3.28Å; K284-T287 WeakPolarHBondContact O-CB 3.49Å; K284-T287 PolarHBondContact O-N 3.12Å; K284-T287 PolarHBondContact O-OG1 3.29Å; K284-I413 CarbonylContact C-O 3.49Å; K284-I413 WeakPolarHBondContact CA-O 3.23Å; K284-I413 HydrophobicContact CB-CD1 4.39Å; K284-I413 HydrophobicContact CB-CG1 3.99Å; K284-I413 HydrophobicContact CG-CG1 4.31Å; K284-V414 WeakPolarHBondContact CE-O 3.35Å
285T92.4Very high96.1Very high17 Ų1743.3 Ų43.310%0.10421%0.211CC..THydrogen-bonded Turntrans-54.3149.4171.654.90000111.8T287 V412 I413 V414T285-T287 PolarHBondContact O-N 3.23Å; T285-T287 PolarHBondContact O-OG1 3.11Å; T285-V412 HydrophobicContact CG2-CG1 3.65Å; T285-I413 PolarHBondContact N-O 3.45Å; T285-V414 HydrophobicContact CG2-CG2 4.2Å
286Q91.6Very high96Very high152 Ų15243 Ų4371%0.7121%0.209SC*.THydrogen-bonded Turntrans59.112.2-178.6-51.8178.54.700114.7L364 L365Q286-L364 WeakPolarHBondContact O-CD1 3.29Å; Q286-L365 PolarHBondContact N-O 3.38Å
287T94Very high95.9Very high65 Ų6540.1 Ų40.140%0.39920%0.196SC..  trans-104.9133.1175.3-51.40000109.5K284 T285K284-T287 VanDerWaalsContact O-CB 3.28Å; K284-T287 WeakPolarHBondContact O-CB 3.49Å; K284-T287 PolarHBondContact O-N 3.12Å; K284-T287 PolarHBondContact O-OG1 3.29Å; T285-T287 PolarHBondContact O-N 3.23Å; T285-T287 PolarHBondContact O-OG1 3.11Å
288K95.4Very high95.6Very high142 Ų14235.6 Ų35.662%0.61718%0.176SC*.EExtended strand (participates in β ladder)trans-67.5139177.2-71.4-175.3178.5-174.40110.3N362 L363 L364K288-N362 PolarHBondContact NZ-OD1 3.21Å; K288-L363 CarbonylContact C-O 3.59Å; K288-L363 VanDerWaalsContact CA-O 3.3Å; K288-L363 WeakPolarHBondContact CA-O 2.99Å; K288-L364 HydrophobicContact CG-CD1 3.99Å
289F96.6Very high95.2Very high12 Ų1235.7 Ų35.75%0.05318%0.178CC..EExtended strand (participates in β ladder)trans-137.1173.5174.970.5-80.7000111.9P279 P280 L283 L363 L365 V386P279-F289 HydrophobicContact CB-CD2 3.93Å; P279-F289 HydrophobicContact CB-CE2 3.93Å; P280-F289 HydrophobicContact CG-CB 3.89Å; L283-F289 HydrophobicContact CD1-CB 4.06Å; L283-F289 HydrophobicContact CD1-CD1 3.56Å; L283-F289 HydrophobicContact CD1-CD2 4.5Å; L283-F289 HydrophobicContact CD1-CE1 4.05Å; L283-F289 HydrophobicContact CD1-CG 3.82Å; L283-F289 HydrophobicContact CD2-CD1 4.29Å; L283-F289 HydrophobicContact CD2-CE1 3.93Å; L283-F289 HydrophobicContact CD2-CZ 4.04Å; F289-L363 HydrophobicContact CD1-CB 3.81Å; F289-L363 HydrophobicContact CD2-CB 4Å; F289-L363 HydrophobicContact CD2-CD1 3.93Å; F289-L363 HydrophobicContact CE1-CB 3.56Å; F289-L363 HydrophobicContact CE2-CB 3.77Å; F289-L363 HydrophobicContact CE2-CD1 3.37Å; F289-L363 HydrophobicContact CE2-CG 4.2Å; F289-L363 HydrophobicContact CG-CB 4.03Å; F289-L363 HydrophobicContact CZ-CB 3.55Å; F289-L363 HydrophobicContact CZ-CD1 3.79Å; F289-L363 HydrophobicContact CZ-CG 4.27Å; F289-L363 PolarHBondContact N-O 3.25Å; F289-L363 PolarHBondContact O-N 3.1Å; F289-L365 HydrophobicContact CE1-CB 4.28Å; F289-V386 HydrophobicContact CE2-CG2 4.4Å
290Q97.4Very high94.6Very high80 Ų8038.8 Ų38.837%0.37419%0.192SC..EExtended strand (participates in β ladder)trans-128.5149.7178.4-63.3-172.3-1300110.4F360 K361Q290-F360 VanDerWaalsContact CA-O 3.27Å; Q290-F360 WeakPolarHBondContact CA-O 3.39Å; Q290-K361 WeakPolarHBondContact CG-O 3.25Å; Q290-K361 PolarHBondContact NE2-O 3.45Å
291A97.8Very high94Very high0 Ų038.8 Ų38.80%019%0.185CC..EExtended strand (participates in β ladder)trans-150.7163.3166.500000108.8K277 P279 F360 L363 F388K277-A291 CarbonylContact O-C 3.59Å; K277-A291 VanDerWaalsContact O-CA 3.25Å; K277-A291 WeakPolarHBondContact O-CA 3.41Å; P279-A291 HydrophobicContact CB-CB 4.33Å; A291-F360 PolarHBondContact N-O 2.89Å; A291-F360 WeakPolarHBondContact O-CA 3.37Å; A291-F360 WeakPolarHBondContact O-CB 3.43Å; A291-F360 PolarHBondContact O-N 3.22Å; A291-L363 HydrophobicContact CB-CD1 4.08Å; A291-F388 HydrophobicContact CB-CE1 4.15Å; A291-F388 HydrophobicContact CB-CZ 3.56Å
292G97.1Very high93.1Very high4 Ų438.1 Ų38.14%0.04118%0.183CC..EExtended strand (participates in β ladder)trans-151.5138.7179.800000112V275 E276 K277 A358V275-G292 CarbonylContact C-O 3.59Å; E276-G292 PolarHBondContact N-O 2.81Å; K277-G292 PolarHBondContact N-O 3.29Å; K277-G292 PolarHBondContact O-N 3.48Å; G292-A358 WeakPolarHBondContact CA-O 3.47Å
293V97.3Very high91.5Very high0 Ų039 Ų390%020%0.198CC..EExtended strand (participates in β ladder)trans-114150.4174.1-66.70000111.2F273 L274 V275 V311 S357 A358 F360 F388F273-V293 HydrophobicContact CE2-CB 3.96Å; F273-V293 HydrophobicContact CE2-CG2 3.74Å; F273-V293 HydrophobicContact CZ-CB 4.08Å; F273-V293 HydrophobicContact CZ-CG1 4.35Å; F273-V293 HydrophobicContact CZ-CG2 3.77Å; L274-V293 CarbonylContact O-C 3.59Å; L274-V293 WeakPolarHBondContact O-CA 3.44Å; L274-V293 WeakPolarHBondContact O-CB 3.2Å; V275-V293 HydrophobicContact CG2-CG1 4.11Å; V293-V311 HydrophobicContact CG2-CG1 4.02Å; V293-V311 HydrophobicContact CG2-CG2 4.26Å; V293-S357 CarbonylContact O-C 3.58Å; V293-S357 WeakPolarHBondContact O-CA 3.31Å; V293-S357 WeakPolarHBondContact O-CB 3.21Å; V293-A358 HydrophobicContact CG2-CB 3.85Å; V293-A358 PolarHBondContact N-O 3.01Å; V293-A358 PolarHBondContact O-N 3.18Å; V293-F360 HydrophobicContact CG2-CE2 4.49Å; V293-F388 HydrophobicContact CG1-CB 3.7Å; V293-F388 HydrophobicContact CG1-CD1 3.88Å; V293-F388 HydrophobicContact CG1-CD2 3.71Å; V293-F388 HydrophobicContact CG1-CE1 4.47Å; V293-F388 HydrophobicContact CG1-CE2 4.33Å; V293-F388 HydrophobicContact CG1-CG 3.45Å; V293-F388 VanDerWaalsContact CG1-CG 3.45Å
294R96.1Very high89.9Confident24 Ų2445.7 Ų45.79%0.09124%0.239CC..EExtended strand (participates in β ladder)trans-127.5135.8175.3-176170.2176.71583109.5L221 L274 E276 L296 C355 C356L221-R294 HydrophobicContact CD1-CB 4.32Å; L274-R294 PolarHBondContact N-O 2.75Å; L274-R294 PolarHBondContact O-N 2.95Å; E276-R294 HydrophobicContact CB-CB 4.05Å; E276-R294 WeakPolarHBondContact OE1-CD 3.33Å; E276-R294 IonicContact OE1-CZ 2.69Å; E276-R294 IonicContact OE1-NE 3.92Å; E276-R294 IonicContact OE1-NH1 2.91Å; E276-R294 PolarHBondContact OE1-NH1 2.87Å; R294-L296 HydrophobicContact CG-CD2 4.21Å; R294-C355 VanDerWaalsContact CZ-CB 3.5Å; R294-C356 CarbonylContact C-O 3.6Å; R294-C356 WeakPolarHBondContact CA-O 3.33Å; R294-C356 WeakPolarHBondContact CG-O 3.46Å
295F96.1Very high88.3Confident0 Ų044.4 Ų44.40%024%0.242CC..EExtended strand (participates in β ladder)trans-106.6105.3172.6-179.7-148.3000107.6V269 S272 F273 L297 G298 F301 L302 L347 C356 F392 L403V269-F295 HydrophobicContact CG1-CE2 4.26Å; V269-F295 HydrophobicContact CG1-CZ 4.21Å; S272-F295 WeakPolarHBondContact OG-CD2 3.41Å; S272-F295 VanDerWaalsContact OG-CE2 3.24Å; S272-F295 WeakPolarHBondContact OG-CE2 3.25Å; F273-F295 HydrophobicContact CB-CD2 4.47Å; F273-F295 HydrophobicContact CD2-CB 4Å; F295-L297 HydrophobicContact CE2-CB 4.01Å; F295-L297 HydrophobicContact CZ-CB 4.12Å; F295-L297 PolarHBondContact O-N 3.4Å; F295-G298 PolarHBondContact O-N 3.19Å; F295-F301 HydrophobicContact CZ-CD2 4.28Å; F295-L302 HydrophobicContact CD1-CD1 3.9Å; F295-L302 HydrophobicContact CE1-CD1 4.11Å; F295-L302 HydrophobicContact CE1-CG 4.34Å; F295-L347 HydrophobicContact CB-CD1 4.47Å; F295-L347 HydrophobicContact CB-CD2 4.19Å; F295-L347 HydrophobicContact CD1-CD2 4.18Å; F295-C356 PolarHBondContact N-O 3.49Å; F295-F392 HydrophobicContact CE1-CE1 4.1Å; F295-F392 AromaticContact CE1-CZ 3.98Å; F295-F392 HydrophobicContact CE1-CZ 3.98Å; F295-F392 AromaticContact CZ-CE1 3.99Å; F295-F392 HydrophobicContact CZ-CE1 3.99Å; F295-F392 AromaticContact CZ-CZ 3.77Å; F295-F392 HydrophobicContact CZ-CZ 3.77Å; F295-L403 HydrophobicContact CD1-CD1 4.23Å; F295-L403 HydrophobicContact CD2-CD1 3.92Å; F295-L403 HydrophobicContact CE1-CD1 4.19Å; F295-L403 HydrophobicContact CE2-CD1 3.86Å; F295-L403 HydrophobicContact CE2-CD2 4.5Å; F295-L403 HydrophobicContact CG-CD1 4.14Å; F295-L403 HydrophobicContact CZ-CD1 4.01Å
296L95.8Very high86.8Confident0 Ų049 Ų490%028%0.281CS..THydrogen-bonded Turntrans-60.9-35.3-171.6-53.8179000111.7L221 L224 Q225 S272 L274 R294 G298L221-L296 HydrophobicContact CB-CD2 4.03Å; L221-L296 HydrophobicContact CD1-CD2 4.28Å; L221-L296 HydrophobicContact CD2-CD2 4.36Å; L221-L296 HydrophobicContact CG-CD2 4.47Å; L224-L296 HydrophobicContact CB-CD1 4.15Å; Q225-L296 HydrophobicContact CB-CB 4.3Å; Q225-L296 HydrophobicContact CB-CD2 4.13Å; Q225-L296 HydrophobicContact CG-CB 4.24Å; Q225-L296 WeakPolarHBondContact CG-O 3.34Å; S272-L296 PolarHBondContact O-N 3.03Å; L274-L296 HydrophobicContact CD1-CD1 3.95Å; L274-L296 HydrophobicContact CD1-CD2 4.44Å; L274-L296 HydrophobicContact CD1-CG 4.26Å; R294-L296 HydrophobicContact CG-CD2 4.21Å; L296-G298 VanDerWaalsContact C-N 3.33Å
297L93.6Very high86.3Confident0 Ų049.2 Ų49.20%028%0.28CS..THydrogen-bonded Turntrans-90.78.1179.6-63.9172.2000113.7C228 E229 V232 L268 V269 F295 L299 Q300 F301C228-L297 HydrophobicContact CB-CD1 4.43Å; C228-L297 HydrophobicContact CB-CD2 3.68Å; C228-L297 HydrophobicContact CB-CG 4.04Å; E229-L297 HydrophobicContact CG-CD2 4.35Å; V232-L297 HydrophobicContact CB-CD2 4.43Å; V232-L297 HydrophobicContact CG2-CD1 3.79Å; V232-L297 HydrophobicContact CG2-CD2 3.68Å; V232-L297 HydrophobicContact CG2-CG 4.37Å; L268-L297 HydrophobicContact CD2-CD1 4.37Å; L268-L297 HydrophobicContact CG-CD1 4.08Å; V269-L297 HydrophobicContact CG2-CD1 4.06Å; F295-L297 HydrophobicContact CE2-CB 4.01Å; F295-L297 HydrophobicContact CZ-CB 4.12Å; F295-L297 PolarHBondContact O-N 3.4Å; L297-L299 VanDerWaalsContact C-N 3.35Å; L297-L299 PolarHBondContact O-N 3.44Å; L297-Q300 PolarHBondContact O-N 3.48Å; L297-F301 HydrophobicContact CB-CD2 3.81Å; L297-F301 HydrophobicContact CB-CE2 3.85Å; L297-F301 HydrophobicContact CD1-CE2 4.17Å; L297-F301 HydrophobicContact CG-CE2 4.49Å; L297-F301 WeakPolarHBondContact O-CD2 3.38Å; L297-F301 PolarHBondContact O-N 3.06Å; L297-F301 VanDerWaalsContact O-N 3.12Å
298G89.8Confident85.9Confident0 Ų048.6 Ų48.60%028%0.277CS..Hα-helixtrans-66.6-30.8-174.700000114.5F295 L296 L302 G303F295-G298 PolarHBondContact O-N 3.19Å; L296-G298 VanDerWaalsContact C-N 3.33Å; G298-L302 WeakPolarHBondContact O-CA 3.39Å; G298-L302 WeakPolarHBondContact O-CB 3.41Å; G298-L302 PolarHBondContact O-N 3.19Å; G298-G303 PolarHBondContact O-N 2.79Å
299L87.9Confident85.6Confident40 Ų4042.8 Ų42.821%0.20925%0.254CS..Hα-helixtrans-66.9-38.3174.4-64.5-177.3000112L297 G303 N349 N354L297-L299 VanDerWaalsContact C-N 3.35Å; L297-L299 PolarHBondContact O-N 3.44Å; L299-G303 VanDerWaalsContact O-CA 3.31Å; L299-G303 WeakPolarHBondContact O-CA 3.49Å; L299-G303 PolarHBondContact O-N 3.41Å; L299-N349 HydrophobicContact CD2-CB 3.95Å; L299-N354 WeakPolarHBondContact CD1-OD1 3.4Å
300Q85.2Confident85.5Confident69 Ų6946.8 Ų46.832%0.32228%0.275SS..Hα-helixtrans-71.4-40.5178.3-70.7-176.5-21.300112.5E229 V232 L297E229-Q300 HydrophobicContact CG-CG 4.48Å; E229-Q300 PolarHBondContact O-NE2 3.08Å; E229-Q300 VanDerWaalsContact O-NE2 3.09Å; V232-Q300 VanDerWaalsContact CB-OE1 3.26Å; V232-Q300 VanDerWaalsContact CG1-OE1 3.25Å; L297-Q300 PolarHBondContact O-N 3.48Å
301F84.6Confident85.4Confident58 Ų5843 Ų4325%0.25426%0.257SS..Hα-helixtrans-99.3-21-174.3-63.2-56.4000116V232 L265 V269 F295 L297 F392 L394V232-F301 HydrophobicContact CG1-CE1 4.38Å; V232-F301 HydrophobicContact CG1-CE2 4.37Å; V232-F301 HydrophobicContact CG1-CZ 3.66Å; V232-F301 HydrophobicContact CG2-CE2 4.43Å; V232-F301 HydrophobicContact CG2-CZ 4.35Å; L265-F301 HydrophobicContact CD1-CZ 3.95Å; V269-F301 HydrophobicContact CG2-CD2 4.36Å; V269-F301 HydrophobicContact CG2-CE2 3.74Å; V269-F301 HydrophobicContact CG2-CZ 4.39Å; F295-F301 HydrophobicContact CZ-CD2 4.28Å; L297-F301 HydrophobicContact CB-CD2 3.81Å; L297-F301 HydrophobicContact CB-CE2 3.85Å; L297-F301 HydrophobicContact CD1-CE2 4.17Å; L297-F301 HydrophobicContact CG-CE2 4.49Å; L297-F301 WeakPolarHBondContact O-CD2 3.38Å; L297-F301 PolarHBondContact O-N 3.06Å; L297-F301 VanDerWaalsContact O-N 3.12Å; F301-F392 HydrophobicContact CB-CE2 3.97Å; F301-L394 HydrophobicContact CB-CD1 4.31Å; F301-L394 HydrophobicContact CD1-CD1 3.43Å; F301-L394 VanDerWaalsContact CD1-CD1 3.43Å; F301-L394 HydrophobicContact CD2-CD1 4.05Å; F301-L394 HydrophobicContact CE1-CD1 3.65Å; F301-L394 HydrophobicContact CE2-CD1 4.22Å; F301-L394 HydrophobicContact CG-CD1 3.66Å; F301-L394 HydrophobicContact CZ-CD1 4.05Å
302L79.1Confident85.4Confident11 Ų1149 Ų496%0.05828%0.28CS..Hα-helixtrans-117.1-4.7-179-51.2173.9000112.9F295 G298 T304 S305 P309 L347 N349 F392F295-L302 HydrophobicContact CD1-CD1 3.9Å; F295-L302 HydrophobicContact CE1-CD1 4.11Å; F295-L302 HydrophobicContact CE1-CG 4.34Å; G298-L302 WeakPolarHBondContact O-CA 3.39Å; G298-L302 WeakPolarHBondContact O-CB 3.41Å; G298-L302 PolarHBondContact O-N 3.19Å; L302-T304 PolarHBondContact O-N 3.34Å; L302-S305 PolarHBondContact O-N 2.95Å; L302-P309 HydrophobicContact CD1-CG 3.82Å; L302-P309 HydrophobicContact CD2-CG 4.22Å; L302-L347 HydrophobicContact CD1-CD2 3.68Å; L302-L347 HydrophobicContact CD1-CG 4.19Å; L302-N349 PolarHBondContact O-ND2 3.29Å; L302-F392 HydrophobicContact CD2-CB 4.09Å; L302-F392 HydrophobicContact CD2-CD2 3.73Å; L302-F392 HydrophobicContact CD2-CE2 4.39Å; L302-F392 HydrophobicContact CD2-CG 3.98Å
303G63.7Low85.3Confident48 Ų4848.8 Ų48.850%0.49528%0.278SS..THydrogen-bonded Turntrans-56.2-24-173.900000115.7G298 L299G298-G303 PolarHBondContact O-N 2.79Å; L299-G303 VanDerWaalsContact O-CA 3.31Å; L299-G303 WeakPolarHBondContact O-CA 3.49Å; L299-G303 PolarHBondContact O-N 3.41Å
304T60.8Low85.1Confident144 Ų14449.7 Ų49.788%0.88328%0.283SS*.THydrogen-bonded Turntrans-1093.6179.7540000114.1L302 A306L302-T304 PolarHBondContact O-N 3.34Å; T304-A306 PolarHBondContact O-N 3.28Å
305S62.7Low84.9Confident66 Ų6648.5 Ų48.546%0.46228%0.279SS..  trans-75121.8-177-1720000112L302 K307L302-S305 PolarHBondContact O-N 2.95Å; S305-K307 PolarHBondContact O-N 3.44Å; S305-K307 VanDerWaalsContact O-N 3.08Å; S305-K307 PolarHBondContact OG-N 2.88Å; S305-K307 PolarHBondContact OG-O 3.14Å
306A61.1Low84.8Confident113 Ų11348.5 Ų48.593%0.93428%0.279SS*.SBendtrans-65-8.8174.400000114.1T304T304-A306 PolarHBondContact O-N 3.28Å
307K80.1Confident84.5Confident157 Ų15749 Ų4968%0.68328%0.281SS*.SBendtrans-141.9123.4171.2-171.3173.9-178.1177.50110.1S305S305-K307 PolarHBondContact O-N 3.44Å; S305-K307 VanDerWaalsContact O-N 3.08Å; S305-K307 PolarHBondContact OG-N 2.88Å; S305-K307 PolarHBondContact OG-O 3.14Å
308P85.2Confident84.3Confident52 Ų5251 Ų5134%0.33829%0.291SS..PPolyproline II helixtrans-65.9143.1173.627.3-33.8000110.4P346 L347P308-P346 HydrophobicContact CB-CB 4.16Å; P308-P346 HydrophobicContact CG-CB 3.73Å; P308-L347 WeakPolarHBondContact CB-O 3.34Å
309P90.6Very high84.2Confident20 Ų2057.3 Ų57.313%0.1332%0.318CS..PPolyproline II helixtrans-66.8150.6171.430.6-33.5000109.6L302 L347L302-P309 HydrophobicContact CD1-CG 3.82Å; L302-P309 HydrophobicContact CD2-CG 4.22Å; P309-L347 HydrophobicContact CG-CB 4.02Å; P309-L347 HydrophobicContact CG-CD2 4.06Å; P309-L347 WeakPolarHBondContact O-CB 3.33Å; P309-L347 PolarHBondContact O-N 2.98Å
310L93.8Very high84.2Confident97 Ų9756.5 Ų56.551%0.50831%0.313SS..EExtended strand (participates in β ladder)trans-88130.1178.1-62.7178.6000109.6T344 P346 T390L310-T344 HydrophobicContact CB-CG2 3.86Å; L310-T344 HydrophobicContact CD1-CG2 4.03Å; L310-T344 HydrophobicContact CD2-CG2 4.48Å; L310-T344 HydrophobicContact CG-CG2 4.34Å; L310-P346 HydrophobicContact CD2-CB 4.22Å; L310-T390 WeakPolarHBondContact O-CB 3.44Å; L310-T390 PolarHBondContact O-OG1 2.97Å
311V96.3Very high84.4Confident0 Ų053.3 Ų53.30%030%0.299CS..EExtended strand (participates in β ladder)trans-91127.1166.7-170.10000108.6F273 V293 T344 V345 L347 A358 F360 F388 S389 T390F273-V311 HydrophobicContact CZ-CG1 4.01Å; F273-V311 HydrophobicContact CZ-CG2 4.4Å; V293-V311 HydrophobicContact CG2-CG1 4.02Å; V293-V311 HydrophobicContact CG2-CG2 4.26Å; V311-T344 CarbonylContact O-C 3.57Å; V311-T344 VanDerWaalsContact O-CA 3.31Å; V311-T344 WeakPolarHBondContact O-CA 3.48Å; V311-V345 PolarHBondContact N-O 3.32Å; V311-V345 PolarHBondContact O-N 2.87Å; V311-L347 HydrophobicContact CG2-CB 3.92Å; V311-L347 HydrophobicContact CG2-CD1 4.35Å; V311-L347 HydrophobicContact CG2-CG 4.48Å; V311-A358 HydrophobicContact CB-CB 4.02Å; V311-A358 HydrophobicContact CG2-CB 3.6Å; V311-F360 HydrophobicContact CB-CE2 4.42Å; V311-F360 HydrophobicContact CB-CZ 3.91Å; V311-F360 HydrophobicContact CG1-CE2 4.16Å; V311-F360 HydrophobicContact CG1-CZ 3.81Å; V311-F388 HydrophobicContact CG1-CB 4.14Å; V311-F388 HydrophobicContact CG1-CD1 4.49Å; V311-S389 WeakPolarHBondContact CA-O 3.32Å; V311-T390 HydrophobicContact CG2-CG2 4.36Å
312R95.9Very high84.6Confident125 Ų12554.8 Ų54.847%0.47230%0.303SS..EExtended strand (participates in β ladder)trans-103.3142.7172.8-177.1178.3161.4151.4-1.3109.9D314 N343 F388 S389R312-D314 WeakPolarHBondContact CD-OD2 3.49Å; R312-D314 WeakPolarHBondContact CG-OD2 3.49Å; R312-D314 IonicContact CZ-OD1 2.72Å; R312-D314 VanDerWaalsContact CZ-OD1 3.31Å; R312-D314 IonicContact CZ-OD2 3.28Å; R312-D314 VanDerWaalsContact NE-CG 3.29Å; R312-D314 IonicContact NE-OD1 3.2Å; R312-D314 PolarHBondContact NE-OD1 3.35Å; R312-D314 IonicContact NE-OD2 2.68Å; R312-D314 PolarHBondContact NE-OD2 2.99Å; R312-D314 IonicContact NH2-OD1 3.84Å; R312-D314 PolarHBondContact NH2-OD1 3.43Å; R312-D314 IonicContact NH2-OD2 3.13Å; R312-N343 CarbonylContact C-O 3.51Å; R312-N343 WeakPolarHBondContact CA-O 3.5Å; R312-F388 CarbonylContact O-C 3.48Å; R312-F388 WeakPolarHBondContact O-CA 3.35Å; R312-S389 PolarHBondContact N-O 3.49Å; R312-S389 PolarHBondContact O-N 2.9Å
313A95.9Very high85Confident0 Ų057.7 Ų57.70%032%0.316CS..EExtended strand (participates in β ladder)trans-114126.6174.400000109.9N343 F360 V386 L387 F388A313-N343 HydrophobicContact CB-CB 4.47Å; A313-N343 PolarHBondContact N-O 2.85Å; A313-N343 VanDerWaalsContact O-CB 3.31Å; A313-N343 WeakPolarHBondContact O-CB 3.47Å; A313-N343 PolarHBondContact O-ND2 2.92Å; A313-F360 HydrophobicContact CB-CD1 4.49Å; A313-F360 HydrophobicContact CB-CE1 4.02Å; A313-F360 HydrophobicContact CB-CZ 4.21Å; A313-V386 HydrophobicContact CB-CG1 3.85Å; A313-L387 CarbonylContact C-O 3.49Å; A313-L387 WeakPolarHBondContact CA-O 3.46Å; A313-F388 HydrophobicContact CB-CD1 3.94Å; A313-F388 HydrophobicContact CB-CE1 3.86Å
314D93.1Very high85.8Confident19 Ų1957.9 Ų57.910%0.10231%0.305CS..EExtended strand (participates in β ladder)trans-127.4152.6176.9-68.5-74.2000110.4R312 V386 L387R312-D314 WeakPolarHBondContact CD-OD2 3.49Å; R312-D314 WeakPolarHBondContact CG-OD2 3.49Å; R312-D314 IonicContact CZ-OD1 2.72Å; R312-D314 VanDerWaalsContact CZ-OD1 3.31Å; R312-D314 IonicContact CZ-OD2 3.28Å; R312-D314 VanDerWaalsContact NE-CG 3.29Å; R312-D314 IonicContact NE-OD1 3.2Å; R312-D314 PolarHBondContact NE-OD1 3.35Å; R312-D314 IonicContact NE-OD2 2.68Å; R312-D314 PolarHBondContact NE-OD2 2.99Å; R312-D314 IonicContact NH2-OD1 3.84Å; R312-D314 PolarHBondContact NH2-OD1 3.43Å; R312-D314 IonicContact NH2-OD2 3.13Å; D314-V386 CarbonylContact O-C 3.59Å; D314-V386 WeakPolarHBondContact O-CA 3.41Å; D314-L387 PolarHBondContact N-O 2.87Å; D314-L387 PolarHBondContact O-N 3.23Å
315M92.8Very high86.2Confident0 Ų054.2 Ų54.20%029%0.286CS..EExtended strand (participates in β ladder)trans-91126.4176.1-175.461.259.700108.7L283 S336 T337 I340 L365 I368 C384 A385 V386 L410L283-M315 HydrophobicContact CD2-CE 4.21Å; M315-S336 PolarHBondContact N-OG 3.41Å; M315-S336 PolarHBondContact O-OG 3.29Å; M315-T337 PolarHBondContact O-N 2.54Å; M315-T337 PolarHBondContact O-OG1 3.26Å; M315-T337 VanDerWaalsContact O-OG1 3.09Å; M315-I340 HydrophobicContact CB-CD1 4.04Å; M315-I340 HydrophobicContact CB-CG1 4.32Å; M315-I340 HydrophobicContact CE-CD1 4.29Å; M315-L365 HydrophobicContact CE-CD1 4.23Å; M315-L365 HydrophobicContact CE-CD2 4.16Å; M315-I368 HydrophobicContact CG-CD1 4Å; M315-I368 HydrophobicContact SD-CD1 4.49Å; M315-C384 HydrophobicContact SD-CB 3.83Å; M315-A385 VanDerWaalsContact SD-O 3.35Å; M315-V386 HydrophobicContact CE-CG2 4.02Å; M315-L410 HydrophobicContact CE-CD1 4.41Å; M315-L410 HydrophobicContact SD-CD1 4.38Å
316V92.1Very high86.5Confident0 Ų056.5 Ų56.50%029%0.292CS..EExtended strand (participates in β ladder)trans-121.3140.8177.9-62.70000110.8Q320 V334 C384 A385 L387 L406V316-Q320 HydrophobicContact CB-CB 4.08Å; V316-Q320 HydrophobicContact CG1-CB 4.5Å; V316-V334 HydrophobicContact CG1-CG1 3.84Å; V316-C384 CarbonylContact O-C 3.57Å; V316-C384 VanDerWaalsContact O-CA 3.32Å; V316-C384 WeakPolarHBondContact O-CA 3.36Å; V316-C384 WeakPolarHBondContact O-CB 3.41Å; V316-A385 HydrophobicContact CG2-CB 4.25Å; V316-A385 WeakPolarHBondContact CG2-O 3.35Å; V316-A385 PolarHBondContact N-O 3.48Å; V316-A385 PolarHBondContact O-N 2.83Å; V316-L387 HydrophobicContact CG1-CB 3.92Å; V316-L387 HydrophobicContact CG1-CD2 4.29Å; V316-L387 HydrophobicContact CG2-CB 4.18Å; V316-L406 HydrophobicContact CG2-CD1 3.66Å
317T90.9Very high86.2Confident10 Ų1057.4 Ų57.46%0.06129%0.289CS..EExtended strand (participates in β ladder)trans-76.8162.9170.550.70000111.1K319 Q320 A321 T337T317-K319 PolarHBondContact O-N 2.93Å; T317-Q320 PolarHBondContact O-N 3.29Å; T317-Q320 WeakPolarHBondContact OG1-CG 3.45Å; T317-Q320 PolarHBondContact OG1-OE1 3.36Å; T317-A321 PolarHBondContact O-N 3.22Å; T317-T337 HydrophobicContact CG2-CG2 3.81Å
318E89.5Confident84.9Confident41 Ų4155 Ų5519%0.19228%0.28CS..Hα-helixtrans-51.7-40.7171.2-179.5164174.800113.2Q320 A321 R322 K383 F440E318-Q320 VanDerWaalsContact C-N 3.32Å; E318-Q320 PolarHBondContact O-N 3.28Å; E318-A321 PolarHBondContact O-N 3.45Å; E318-R322 WeakPolarHBondContact O-CG 3.34Å; E318-R322 PolarHBondContact O-N 3.5Å; E318-R322 IonicContact OE1-CZ 2.71Å; E318-R322 IonicContact OE1-NE 3.37Å; E318-R322 PolarHBondContact OE1-NE 3.25Å; E318-R322 IonicContact OE1-NH2 3.19Å; E318-R322 PolarHBondContact OE1-NH2 3.31Å; E318-K383 WeakPolarHBondContact CB-O 3.04Å; E318-K383 PolarHBondContact N-O 3.33Å; E318-K383 VanDerWaalsContact N-O 3.14Å; E318-F440 HydrophobicContact CB-CD2 3.88Å; E318-F440 HydrophobicContact CB-CE2 4.36Å; E318-F440 VanDerWaalsContact CD-N 3.34Å; E318-F440 HydrophobicContact CG-CB 4.47Å; E318-F440 HydrophobicContact CG-CD2 3.79Å; E318-F440 PolarHBondContact OE1-N 3.12Å
319K87.3Confident82.8Confident134 Ų13455.2 Ų55.258%0.58329%0.291SS*.Hα-helixtrans-56.8-46.1175.5176.8177.5166.1-179.30111.7T317 R322 E323T317-K319 PolarHBondContact O-N 2.93Å; K319-R322 WeakPolarHBondContact O-CB 3.44Å; K319-R322 PolarHBondContact O-N 3.46Å; K319-E323 WeakPolarHBondContact CE-OE1 3.39Å; K319-E323 IonicContact NZ-OE1 2.97Å; K319-E323 WeakPolarHBondContact O-CG 3Å; K319-E323 PolarHBondContact O-N 3.48Å
320Q88.7Confident80.2Confident22 Ų2261.2 Ų61.210%0.10333%0.33CS..Hα-helixtrans-71.5-33-179.5-67.2167.6-53.200112.2V316 T317 E318 R322 E323 L324 V334 E335V316-Q320 HydrophobicContact CB-CB 4.08Å; V316-Q320 HydrophobicContact CG1-CB 4.5Å; T317-Q320 PolarHBondContact O-N 3.29Å; T317-Q320 WeakPolarHBondContact OG1-CG 3.45Å; T317-Q320 PolarHBondContact OG1-OE1 3.36Å; E318-Q320 VanDerWaalsContact C-N 3.32Å; E318-Q320 PolarHBondContact O-N 3.28Å; Q320-R322 VanDerWaalsContact C-N 3.29Å; Q320-R322 PolarHBondContact O-N 2.9Å; Q320-E323 PolarHBondContact O-N 2.8Å; Q320-L324 WeakPolarHBondContact O-CB 3.36Å; Q320-L324 WeakPolarHBondContact O-CG 3.5Å; Q320-L324 PolarHBondContact O-N 3.29Å; Q320-V334 HydrophobicContact CB-CG1 4.31Å; Q320-V334 HydrophobicContact CG-CG1 4.42Å; Q320-E335 PolarHBondContact NE2-O 3.44Å
321A89.4Confident77.7Confident2 Ų260.3 Ų60.32%0.01734%0.344CS..Hα-helixtrans-63.6-3417200000112.3T317 E318 S325 L406 P439 F440T317-A321 PolarHBondContact O-N 3.22Å; E318-A321 PolarHBondContact O-N 3.45Å; A321-S325 PolarHBondContact O-N 2.73Å; A321-L406 HydrophobicContact CB-CD2 3.92Å; A321-P439 HydrophobicContact CB-CB 3.79Å; A321-P439 HydrophobicContact CB-CG 4.49Å; A321-F440 HydrophobicContact CB-CE2 3.88Å; A321-F440 HydrophobicContact CB-CZ 3.96Å
322R88.3Confident75.3Confident89 Ų8963.3 Ų63.334%0.33637%0.369SS..Hα-helixtrans-68.1-46.7170.8-63.7168.6-180-98.72.1111.4E318 K319 Q320 L324 S325 V438 P439 V441E318-R322 WeakPolarHBondContact O-CG 3.34Å; E318-R322 PolarHBondContact O-N 3.5Å; E318-R322 IonicContact OE1-CZ 2.71Å; E318-R322 IonicContact OE1-NE 3.37Å; E318-R322 PolarHBondContact OE1-NE 3.25Å; E318-R322 IonicContact OE1-NH2 3.19Å; E318-R322 PolarHBondContact OE1-NH2 3.31Å; K319-R322 WeakPolarHBondContact O-CB 3.44Å; K319-R322 PolarHBondContact O-N 3.46Å; Q320-R322 VanDerWaalsContact C-N 3.29Å; Q320-R322 PolarHBondContact O-N 2.9Å; R322-L324 VanDerWaalsContact C-N 3.26Å; R322-L324 PolarHBondContact O-N 2.94Å; R322-S325 PolarHBondContact O-N 2.89Å; R322-S325 PolarHBondContact O-OG 2.8Å; R322-V438 HydrophobicContact CB-CG1 4.43Å; R322-V438 HydrophobicContact CG-CG1 3.79Å; R322-P439 WeakPolarHBondContact CG-O 3.41Å; R322-P439 VanDerWaalsContact CZ-O 3.3Å; R322-P439 PolarHBondContact NE-O 2.82Å; R322-V441 VanDerWaalsContact NH2-CG2 3.26Å
323E86.5Confident73.2Confident73 Ų7360.7 Ų60.734%0.34138%0.381SS..Hα-helixtrans-59.7-36.2178.4-74.3166.8167.400112K319 Q320 S325 L326 Q328K319-E323 WeakPolarHBondContact CE-OE1 3.39Å; K319-E323 IonicContact NZ-OE1 2.97Å; K319-E323 WeakPolarHBondContact O-CG 3Å; K319-E323 PolarHBondContact O-N 3.48Å; Q320-E323 PolarHBondContact O-N 2.8Å; E323-S325 VanDerWaalsContact C-N 3.32Å; E323-S325 PolarHBondContact O-N 2.89Å; E323-L326 PolarHBondContact O-N 3.07Å; E323-Q328 PolarHBondContact O-NE2 3.1Å
324L80.5Confident71.3Confident51 Ų5163.7 Ų63.727%0.26740%0.399SS..Hα-helixtrans-70.1-21.8172.7-75.6167.2000114.4Q320 R322 L326 V334 L387Q320-L324 WeakPolarHBondContact O-CB 3.36Å; Q320-L324 WeakPolarHBondContact O-CG 3.5Å; Q320-L324 PolarHBondContact O-N 3.29Å; R322-L324 VanDerWaalsContact C-N 3.26Å; R322-L324 PolarHBondContact O-N 2.94Å; L324-L326 VanDerWaalsContact C-N 3.3Å; L324-V334 HydrophobicContact CD1-CG2 4.44Å; L324-V334 HydrophobicContact CD2-CG2 3.86Å; L324-V334 HydrophobicContact CG-CG2 4.18Å; L324-L387 HydrophobicContact CD1-CD1 4.12Å; L324-L387 HydrophobicContact CD1-CD2 3.72Å; L324-L387 HydrophobicContact CD1-CG 4.45Å
325S70.5Confident70Confident68 Ų6869.3 Ų69.348%0.47643%0.425SS..THydrogen-bonded Turntrans-83-6.7176.670.80000113.7A321 R322 E323A321-S325 PolarHBondContact O-N 2.73Å; R322-S325 PolarHBondContact O-N 2.89Å; R322-S325 PolarHBondContact O-OG 2.8Å; E323-S325 VanDerWaalsContact C-N 3.32Å; E323-S325 PolarHBondContact O-N 2.89Å
326L68.6Low68.8Low113 Ų11370.9 Ų70.959%0.59244%0.436SS*.SBendtrans-99141.5175-68168.4000110.3E323 L324 Q328E323-L326 PolarHBondContact O-N 3.07Å; L324-L326 VanDerWaalsContact C-N 3.3Å; L326-Q328 PolarHBondContact O-N 3.03Å
327P53.9Low68Low133 Ų13371.9 Ų71.986%0.86444%0.442SS*.  trans-70.594.9176.429-34000110.6
328Q52.5Low67.2Low106 Ų10671.7 Ų71.750%0.49544%0.442SS..  trans-85.5150.1178.7-59.3-157.828.700112.8E323 L326E323-Q328 PolarHBondContact O-NE2 3.1Å; L326-Q328 PolarHBondContact O-N 3.03Å
329G42.9Very low66.9Low56 Ų5674.9 Ų74.958%0.57746%0.457SS*.  trans-68.2156.7170.300000112.6G331G329-G331 PolarHBondContact O-N 3.04Å; G329-G331 VanDerWaalsContact O-N 3.07Å
330P34.3Very low67Low147 Ų14769.4 Ų69.496%0.95543%0.434SS*.THydrogen-bonded Turntrans-67.6107.7-177.727.7-34.5000111.4
331G42.7Very low67Low77 Ų7771.7 Ų71.779%0.79445%0.446SS*.THydrogen-bonded Turntrans158.9-24.6173.500000115.6G329 G333G329-G331 PolarHBondContact O-N 3.04Å; G329-G331 VanDerWaalsContact O-N 3.07Å; G331-G333 PolarHBondContact O-N 3.2Å
332A45.2Very low67.1Low63 Ų6376.3 Ų76.352%0.52147%0.47SS..  trans-77.190.5-179.500000112.2
333G50.8Low67.3Low71 Ų7173.7 Ų73.773%0.73246%0.462SS*.  trans-73127.6171.500000111.8G331 E335G331-G333 PolarHBondContact O-N 3.2Å; G333-E335 PolarHBondContact O-N 3.08Å
334V57.7Low67.7Low62 Ų6273.3 Ų73.338%0.37647%0.465SS..  trans-73.2110.8175.5-179.20000110V316 Q320 L324 S336V316-V334 HydrophobicContact CG1-CG1 3.84Å; Q320-V334 HydrophobicContact CB-CG1 4.31Å; Q320-V334 HydrophobicContact CG-CG1 4.42Å; L324-V334 HydrophobicContact CD1-CG2 4.44Å; L324-V334 HydrophobicContact CD2-CG2 3.86Å; L324-V334 HydrophobicContact CG-CG2 4.18Å; V334-S336 PolarHBondContact O-N 3.38Å
335E64.6Low68.4Low138 Ų13872.2 Ų72.265%0.64546%0.461SS*.  trans-64.2119.8168.2-68.3-163.1174.800110.5Q320 G333 T337 K369Q320-E335 PolarHBondContact NE2-O 3.44Å; G333-E335 PolarHBondContact O-N 3.08Å; E335-T337 PolarHBondContact O-N 3.06Å; E335-K369 IonicContact OE2-NZ 2.85Å
336S67.9Low69.5Low33 Ų3370.9 Ų70.923%0.23145%0.45CS..  trans-61.4124.3173.8-174.30000110.2M315 V334 G338M315-S336 PolarHBondContact N-OG 3.41Å; M315-S336 PolarHBondContact O-OG 3.29Å; V334-S336 PolarHBondContact O-N 3.38Å; S336-G338 PolarHBondContact O-N 3.38Å; S336-G338 PolarHBondContact OG-N 2.85Å; S336-G338 PolarHBondContact OG-O 2.72Å
337T75.7Confident70.6Confident20 Ų2065.6 Ų65.612%0.12342%0.423CS..SBendtrans-80.4-9.1177.448.90000112.5M315 T317 E335 I368 K369M315-T337 PolarHBondContact O-N 2.54Å; M315-T337 PolarHBondContact O-OG1 3.26Å; M315-T337 VanDerWaalsContact O-OG1 3.09Å; T317-T337 HydrophobicContact CG2-CG2 3.81Å; E335-T337 PolarHBondContact O-N 3.06Å; T337-I368 CarbonylContact O-C 3.48Å; T337-K369 PolarHBondContact O-N 3.14Å
338G74.3Confident72.4Confident7 Ų765 Ų657%0.07241%0.409CS..EExtended strand (participates in β ladder)trans-129.9143.917700000113.7S336 I340 K367S336-G338 PolarHBondContact O-N 3.38Å; S336-G338 PolarHBondContact OG-N 2.85Å; S336-G338 PolarHBondContact OG-O 2.72Å; G338-I340 PolarHBondContact O-N 3.01Å; G338-K367 CarbonylContact C-O 3.44Å; G338-K367 VanDerWaalsContact CA-O 3.27Å; G338-K367 WeakPolarHBondContact CA-O 3.41Å
339E82.9Confident74Confident107 Ų10762.7 Ų62.750%0.540%0.4SS..EExtended strand (participates in β ladder)trans-84.196.2173.2-71.1170.5-137.900109.4K366 K367E339-K366 HydrophobicContact CB-CB 4.04Å; E339-K366 PolarHBondContact O-N 3.26Å; E339-K367 HydrophobicContact CB-CB 4.47Å; E339-K367 PolarHBondContact N-O 3.29Å
340I88.6Confident75.9Confident19 Ų1962.1 Ų62.110%0.09739%0.386CS..EExtended strand (participates in β ladder)trans-94.3125174.1-54.6-178.9000109.5M315 G338 N343 L363 L364 L365M315-I340 HydrophobicContact CB-CD1 4.04Å; M315-I340 HydrophobicContact CB-CG1 4.32Å; M315-I340 HydrophobicContact CE-CD1 4.29Å; G338-I340 PolarHBondContact O-N 3.01Å; I340-N343 HydrophobicContact CB-CB 3.96Å; I340-N343 HydrophobicContact CG2-CB 3.7Å; I340-L363 HydrophobicContact CG2-CB 4.47Å; I340-L363 HydrophobicContact CG2-CD2 3.84Å; I340-L364 CarbonylContact C-O 3.52Å; I340-L364 WeakPolarHBondContact CA-O 3.49Å; I340-L365 HydrophobicContact CG1-CD1 4.13Å
341M89.6Confident77.8Confident71 Ų7162.5 Ų62.535%0.3538%0.379SS..EExtended strand (participates in β ladder)trans-88.8155.4167.9-53.1-152.4-45.500112N343 L364 K366M341-N343 PolarHBondContact O-N 3.1Å; M341-L364 HydrophobicContact CB-CB 4.31Å; M341-L364 HydrophobicContact CE-CD2 3.78Å; M341-L364 PolarHBondContact N-O 3.02Å; M341-L364 PolarHBondContact O-N 3.02Å; M341-K366 HydrophobicContact CG-CD 3.88Å; M341-K366 HydrophobicContact CG-CG 4.19Å; M341-K366 HydrophobicContact SD-CD 3.76Å; M341-K366 WeakPolarHBondContact SD-CE 3.26Å; M341-K366 HydrophobicContact SD-CG 4.35Å; M341-K366 PolarHBondContact SD-NZ 3.31Å
342N90.8Very high79.3Confident98 Ų9864.8 Ų64.852%0.52438%0.383SS..SBendtrans56.634.6-176.6-49.9-38.1000112.5T344 N362N342-T344 VanDerWaalsContact C-N 3.26Å; N342-T344 PolarHBondContact O-N 3.24Å; N342-N362 WeakPolarHBondContact CB-O 3.33Å; N342-N362 PolarHBondContact ND2-O 3.5Å
343N92.1Very high80.7Confident34 Ų3463.8 Ų63.818%0.18238%0.378CS..  trans-83.78.8-167.685.7-39000114.4R312 A313 I340 M341R312-N343 CarbonylContact C-O 3.51Å; R312-N343 WeakPolarHBondContact CA-O 3.5Å; A313-N343 HydrophobicContact CB-CB 4.47Å; A313-N343 PolarHBondContact N-O 2.85Å; A313-N343 VanDerWaalsContact O-CB 3.31Å; A313-N343 WeakPolarHBondContact O-CB 3.47Å; A313-N343 PolarHBondContact O-ND2 2.92Å; I340-N343 HydrophobicContact CB-CB 3.96Å; I340-N343 HydrophobicContact CG2-CB 3.7Å; M341-N343 PolarHBondContact O-N 3.1Å
344T95.1Very high82.4Confident65 Ų6564.5 Ų64.540%0.39937%0.365SS..EExtended strand (participates in β ladder)trans-133.2125.9-177.5-56.80000109.9L310 V311 N342L310-T344 HydrophobicContact CB-CG2 3.86Å; L310-T344 HydrophobicContact CD1-CG2 4.03Å; L310-T344 HydrophobicContact CD2-CG2 4.48Å; L310-T344 HydrophobicContact CG-CG2 4.34Å; V311-T344 CarbonylContact O-C 3.57Å; V311-T344 VanDerWaalsContact O-CA 3.31Å; V311-T344 WeakPolarHBondContact O-CA 3.48Å; N342-T344 VanDerWaalsContact C-N 3.26Å; N342-T344 PolarHBondContact O-N 3.24Å
345V95.6Very high83.9Confident29 Ų2962.3 Ų62.318%0.17635%0.353CS..EExtended strand (participates in β ladder)trans-141.2139.2-175171.10000109.2V311 A358 F360V311-V345 PolarHBondContact N-O 3.32Å; V311-V345 PolarHBondContact O-N 2.87Å; V345-A358 HydrophobicContact CG1-CB 4.07Å; V345-F360 HydrophobicContact CB-CD1 3.87Å; V345-F360 HydrophobicContact CB-CE1 3.72Å; V345-F360 HydrophobicContact CB-CG 4.36Å; V345-F360 HydrophobicContact CB-CZ 4.07Å; V345-F360 HydrophobicContact CG2-CB 4.43Å; V345-F360 HydrophobicContact CG2-CD1 3.32Å; V345-F360 HydrophobicContact CG2-CE1 3.65Å; V345-F360 HydrophobicContact CG2-CG 3.9Å; V345-F360 HydrophobicContact CG2-CZ 4.43Å
346P93.7Very high85.3Confident39 Ų3955.8 Ų55.825%0.25332%0.322SS..EExtended strand (participates in β ladder)trans-63.7146.1174.627.2-36.1000112.7P308 L310 E348 A358P308-P346 HydrophobicContact CB-CB 4.16Å; P308-P346 HydrophobicContact CG-CB 3.73Å; L310-P346 HydrophobicContact CD2-CB 4.22Å; P346-E348 HydrophobicContact CB-CG 4.12Å; P346-E348 HydrophobicContact CG-CG 3.97Å; P346-E348 WeakPolarHBondContact CG-OE1 3.44Å; P346-E348 PolarHBondContact O-N 2.86Å; P346-A358 WeakPolarHBondContact O-CB 3.36Å
347L93Very high86.5Confident2 Ų255.6 Ų55.61%0.0132%0.321CS..  trans-83.893.6170.7-174.653000109.3F295 L302 P308 P309 V311 C356 A358F295-L347 HydrophobicContact CB-CD1 4.47Å; F295-L347 HydrophobicContact CB-CD2 4.19Å; F295-L347 HydrophobicContact CD1-CD2 4.18Å; L302-L347 HydrophobicContact CD1-CD2 3.68Å; L302-L347 HydrophobicContact CD1-CG 4.19Å; P308-L347 WeakPolarHBondContact CB-O 3.34Å; P309-L347 HydrophobicContact CG-CB 4.02Å; P309-L347 HydrophobicContact CG-CD2 4.06Å; P309-L347 WeakPolarHBondContact O-CB 3.33Å; P309-L347 PolarHBondContact O-N 2.98Å; V311-L347 HydrophobicContact CG2-CB 3.92Å; V311-L347 HydrophobicContact CG2-CD1 4.35Å; V311-L347 HydrophobicContact CG2-CG 4.48Å; L347-C356 VanDerWaalsContact CG-SG 3.55Å; L347-A358 HydrophobicContact CD1-CB 4.25Å
348E90.4Very high87.5Confident122 Ų12254.7 Ų54.757%0.5732%0.315SS*.EExtended strand (participates in β ladder)trans-91.3139.9-169.8-67.5177.7173.600112.4P346 C356 S357P346-E348 HydrophobicContact CB-CG 4.12Å; P346-E348 HydrophobicContact CG-CG 3.97Å; P346-E348 WeakPolarHBondContact CG-OE1 3.44Å; P346-E348 PolarHBondContact O-N 2.86Å; E348-C356 CarbonylContact O-C 3.49Å; E348-C356 WeakPolarHBondContact O-CA 3.26Å; E348-S357 PolarHBondContact N-O 3.11Å; E348-S357 PolarHBondContact O-N 3.18Å
349N86.6Confident88.5Confident57 Ų5757.9 Ų57.931%0.30533%0.33SS..EExtended strand (participates in β ladder)trans-91.9111.9174.7-68.3-27.8000110.2L299 L302 C356L299-N349 HydrophobicContact CD2-CB 3.95Å; L302-N349 PolarHBondContact O-ND2 3.29Å; N349-C356 WeakPolarHBondContact OD1-CB 3.28Å; N349-C356 PolarHBondContact OD1-SG 3.21Å
350S83.3Confident89.2Confident43 Ų4352.9 Ų52.930%0.30131%0.307SS..EExtended strand (participates in β ladder)trans-93.9103.7172.3-177.20000110.1G353 N354 C355S350-G353 PolarHBondContact O-N 3.33Å; S350-G353 PolarHBondContact OG-N 3.41Å; S350-N354 WeakPolarHBondContact O-CA 3.43Å; S350-N354 PolarHBondContact O-N 2.85Å; S350-C355 PolarHBondContact N-O 2.89Å; S350-C355 PolarHBondContact O-N 3.38Å; S350-C355 VanDerWaalsContact O-N 3.1Å
351I74.2Confident89.5Confident156 Ų15658.2 Ų58.280%0.833%0.33SS*.THydrogen-bonded Turntrans-64.1-42177.9-60.8169.1000110.5G353 N354I351-G353 PolarHBondContact O-N 3.23Å; I351-N354 PolarHBondContact O-N 3.2Å
352S73.8Confident89.7Confident124 Ų12458.5 Ų58.587%0.86733%0.333SS*.THydrogen-bonded Turntrans-71.5-26.7178.9520000113.8
353G75.1Confident89.9Confident42 Ų4253.9 Ų53.943%0.43331%0.308SS..THydrogen-bonded Turntrans-90.5-3.717300000114.6S350 I351 C355S350-G353 PolarHBondContact O-N 3.33Å; S350-G353 PolarHBondContact OG-N 3.41Å; I351-G353 PolarHBondContact O-N 3.23Å; G353-C355 PolarHBondContact O-N 3.3Å
354N86.5Confident90Very high86 Ų8653.7 Ų53.746%0.4631%0.307SS..THydrogen-bonded Turntrans41.349.1-166.9-163.271.7000112.8Q225 L299 S350 I351Q225-N354 PolarHBondContact NE2-ND2 3.19Å; Q225-N354 PolarHBondContact NE2-O 3.22Å; Q225-N354 PolarHBondContact OE1-O 3.11Å; L299-N354 WeakPolarHBondContact CD1-OD1 3.4Å; S350-N354 WeakPolarHBondContact O-CA 3.43Å; S350-N354 PolarHBondContact O-N 2.85Å; I351-N354 PolarHBondContact O-N 3.2Å
355C88.9Confident89.9Confident16 Ų1650.6 Ų50.611%0.10829%0.288CS..EExtended strand (participates in β ladder)trans-143156.6-176.470.40000113.3R294 S350 G353R294-C355 VanDerWaalsContact CZ-CB 3.5Å; S350-C355 PolarHBondContact N-O 2.89Å; S350-C355 PolarHBondContact O-N 3.38Å; S350-C355 VanDerWaalsContact O-N 3.1Å; G353-C355 PolarHBondContact O-N 3.3Å
356C93.1Very high89.6Confident1 Ų154.3 Ų54.31%0.00730%0.301CS..EExtended strand (participates in β ladder)trans-118.9114.8171.9179.50000108.2R294 F295 L347 E348 N349R294-C356 CarbonylContact C-O 3.6Å; R294-C356 WeakPolarHBondContact CA-O 3.33Å; R294-C356 WeakPolarHBondContact CG-O 3.46Å; F295-C356 PolarHBondContact N-O 3.49Å; L347-C356 VanDerWaalsContact CG-SG 3.55Å; E348-C356 CarbonylContact O-C 3.49Å; E348-C356 WeakPolarHBondContact O-CA 3.26Å; N349-C356 WeakPolarHBondContact OD1-CB 3.28Å; N349-C356 PolarHBondContact OD1-SG 3.21Å
357S94.3Very high89.1Confident29 Ų2958.7 Ų58.720%0.20332%0.316CS..EExtended strand (participates in β ladder)trans-150.3153.3-167.7680000114.1V293 E348V293-S357 CarbonylContact O-C 3.58Å; V293-S357 WeakPolarHBondContact O-CA 3.31Å; V293-S357 WeakPolarHBondContact O-CB 3.21Å; E348-S357 PolarHBondContact N-O 3.11Å; E348-S357 PolarHBondContact O-N 3.18Å
358A95.7Very high88.6Confident1 Ų159.7 Ų59.71%0.00832%0.322CS..EExtended strand (participates in β ladder)trans-123.5109.2171.700000109.3G292 V293 V311 V345 P346 L347 F360G292-A358 WeakPolarHBondContact CA-O 3.47Å; V293-A358 HydrophobicContact CG2-CB 3.85Å; V293-A358 PolarHBondContact N-O 3.01Å; V293-A358 PolarHBondContact O-N 3.18Å; V311-A358 HydrophobicContact CB-CB 4.02Å; V311-A358 HydrophobicContact CG2-CB 3.6Å; V345-A358 HydrophobicContact CG1-CB 4.07Å; P346-A358 WeakPolarHBondContact O-CB 3.36Å; L347-A358 HydrophobicContact CD1-CB 4.25Å; A358-F360 HydrophobicContact CB-CE2 4.27Å
359L96.4Very high88.1Confident74 Ų7459.9 Ų59.939%0.38732%0.321SS..EExtended strand (participates in β ladder)trans-102106.8-177.6178.762.5000111.2K277 K361K277-L359 HydrophobicContact CD-CD1 4.21Å; L359-K361 HydrophobicContact CD2-CG 4.16Å; L359-K361 HydrophobicContact CG-CG 3.99Å; L359-K361 PolarHBondContact O-N 2.94Å; L359-K361 VanDerWaalsContact O-N 3.15Å
360F96.9Very high87.7Confident2 Ų262 Ų621%0.00932%0.324CS..EExtended strand (participates in β ladder)trans-80.995.7177.7-58.4-101.1000110.4Q290 A291 V293 V311 A313 V345 A358 L363 F388Q290-F360 VanDerWaalsContact CA-O 3.27Å; Q290-F360 WeakPolarHBondContact CA-O 3.39Å; A291-F360 PolarHBondContact N-O 2.89Å; A291-F360 WeakPolarHBondContact O-CA 3.37Å; A291-F360 WeakPolarHBondContact O-CB 3.43Å; A291-F360 PolarHBondContact O-N 3.22Å; V293-F360 HydrophobicContact CG2-CE2 4.49Å; V311-F360 HydrophobicContact CB-CE2 4.42Å; V311-F360 HydrophobicContact CB-CZ 3.91Å; V311-F360 HydrophobicContact CG1-CE2 4.16Å; V311-F360 HydrophobicContact CG1-CZ 3.81Å; A313-F360 HydrophobicContact CB-CD1 4.49Å; A313-F360 HydrophobicContact CB-CE1 4.02Å; A313-F360 HydrophobicContact CB-CZ 4.21Å; V345-F360 HydrophobicContact CB-CD1 3.87Å; V345-F360 HydrophobicContact CB-CE1 3.72Å; V345-F360 HydrophobicContact CB-CG 4.36Å; V345-F360 HydrophobicContact CB-CZ 4.07Å; V345-F360 HydrophobicContact CG2-CB 4.43Å; V345-F360 HydrophobicContact CG2-CD1 3.32Å; V345-F360 HydrophobicContact CG2-CE1 3.65Å; V345-F360 HydrophobicContact CG2-CG 3.9Å; V345-F360 HydrophobicContact CG2-CZ 4.43Å; A358-F360 HydrophobicContact CB-CE2 4.27Å; F360-L363 HydrophobicContact CB-CD1 3.71Å; F360-L363 HydrophobicContact CB-CD2 3.86Å; F360-L363 HydrophobicContact CB-CG 3.62Å; F360-L363 HydrophobicContact CD1-CD2 3.76Å; F360-L363 HydrophobicContact CD1-CG 4.46Å; F360-L363 HydrophobicContact CG-CD1 4.26Å; F360-L363 HydrophobicContact CG-CD2 4.12Å; F360-L363 HydrophobicContact CG-CG 4.34Å; F360-F388 HydrophobicContact CD2-CD1 4.26Å; F360-F388 AromaticContact CD2-CE1 3.84Å; F360-F388 HydrophobicContact CD2-CE1 3.84Å; F360-F388 AromaticContact CE2-CD1 3.59Å; F360-F388 HydrophobicContact CE2-CD1 3.59Å; F360-F388 AromaticContact CE2-CE1 3.66Å; F360-F388 HydrophobicContact CE2-CE1 3.66Å; F360-F388 AromaticContact CZ-CD1 4Å; F360-F388 HydrophobicContact CZ-CD1 4Å; F360-F388 HydrophobicContact CZ-CE1 4.26Å
361K94.4Very high87.3Confident132 Ų13263 Ų6357%0.57433%0.331SS*.EExtended strand (participates in β ladder)trans-78.8-16.5-173.3-63.5174.4-174.5169.60115.3Q290 L359Q290-K361 WeakPolarHBondContact CG-O 3.25Å; Q290-K361 PolarHBondContact NE2-O 3.45Å; L359-K361 HydrophobicContact CD2-CG 4.16Å; L359-K361 HydrophobicContact CG-CG 3.99Å; L359-K361 PolarHBondContact O-N 2.94Å; L359-K361 VanDerWaalsContact O-N 3.15Å
362N93.3Very high87.3Confident77 Ų7764.8 Ų64.841%0.41234%0.336SS..EExtended strand (participates in β ladder)trans-145.140.4-167.2-81.6-73.1000113.5K288 N342K288-N362 PolarHBondContact NZ-OD1 3.21Å; N342-N362 WeakPolarHBondContact CB-O 3.33Å; N342-N362 PolarHBondContact ND2-O 3.5Å
363L95.7Very high87.3Confident0 Ų064.7 Ų64.70%032%0.316CS..EExtended strand (participates in β ladder)trans-65143.1175.4-64.2172.7000110.5K288 F289 A291 I340 F360K288-L363 CarbonylContact C-O 3.59Å; K288-L363 VanDerWaalsContact CA-O 3.3Å; K288-L363 WeakPolarHBondContact CA-O 2.99Å; F289-L363 HydrophobicContact CD1-CB 3.81Å; F289-L363 HydrophobicContact CD2-CB 4Å; F289-L363 HydrophobicContact CD2-CD1 3.93Å; F289-L363 HydrophobicContact CE1-CB 3.56Å; F289-L363 HydrophobicContact CE2-CB 3.77Å; F289-L363 HydrophobicContact CE2-CD1 3.37Å; F289-L363 HydrophobicContact CE2-CG 4.2Å; F289-L363 HydrophobicContact CG-CB 4.03Å; F289-L363 HydrophobicContact CZ-CB 3.55Å; F289-L363 HydrophobicContact CZ-CD1 3.79Å; F289-L363 HydrophobicContact CZ-CG 4.27Å; F289-L363 PolarHBondContact N-O 3.25Å; F289-L363 PolarHBondContact O-N 3.1Å; A291-L363 HydrophobicContact CB-CD1 4.08Å; I340-L363 HydrophobicContact CG2-CB 4.47Å; I340-L363 HydrophobicContact CG2-CD2 3.84Å; F360-L363 HydrophobicContact CB-CD1 3.71Å; F360-L363 HydrophobicContact CB-CD2 3.86Å; F360-L363 HydrophobicContact CB-CG 3.62Å; F360-L363 HydrophobicContact CD1-CD2 3.76Å; F360-L363 HydrophobicContact CD1-CG 4.46Å; F360-L363 HydrophobicContact CG-CD1 4.26Å; F360-L363 HydrophobicContact CG-CD2 4.12Å; F360-L363 HydrophobicContact CG-CG 4.34Å
364L94.4Very high87Confident30 Ų3071.4 Ų71.416%0.15733%0.334CS..EExtended strand (participates in β ladder)trans-140.1116.1174.1-172.979.6000110.4Q286 K288 I340 M341 K366Q286-L364 WeakPolarHBondContact O-CD1 3.29Å; K288-L364 HydrophobicContact CG-CD1 3.99Å; I340-L364 CarbonylContact C-O 3.52Å; I340-L364 WeakPolarHBondContact CA-O 3.49Å; M341-L364 HydrophobicContact CB-CB 4.31Å; M341-L364 HydrophobicContact CE-CD2 3.78Å; M341-L364 PolarHBondContact N-O 3.02Å; M341-L364 PolarHBondContact O-N 3.02Å; L364-K366 HydrophobicContact CD2-CG 4.41Å; L364-K366 PolarHBondContact O-N 2.84Å
365L93.4Very high86.4Confident0 Ų071.3 Ų71.30%035%0.353CS..EExtended strand (participates in β ladder)trans-81.8104.4170.4-177.265.5000109.3L283 Q286 F289 M315 I340 K367 V412L283-L365 HydrophobicContact CD2-CB 4.33Å; L283-L365 HydrophobicContact CD2-CD2 3.9Å; L283-L365 HydrophobicContact CG-CD2 4.47Å; Q286-L365 PolarHBondContact N-O 3.38Å; F289-L365 HydrophobicContact CE1-CB 4.28Å; M315-L365 HydrophobicContact CE-CD1 4.23Å; M315-L365 HydrophobicContact CE-CD2 4.16Å; I340-L365 HydrophobicContact CG1-CD1 4.13Å; L365-K367 WeakPolarHBondContact CD1-O 3.38Å; L365-V412 HydrophobicContact CD2-CB 4.48Å; L365-V412 HydrophobicContact CD2-CG1 3.6Å; L365-V412 HydrophobicContact CD2-CG2 3.98Å
366K88.2Confident85.6Confident107 Ų10777.1 Ų77.147%0.46539%0.388SS..EExtended strand (participates in β ladder)trans-70.5-50.6177.7-94.9178.6159.8172.30112.1E339 M341 L364E339-K366 HydrophobicContact CB-CB 4.04Å; E339-K366 PolarHBondContact O-N 3.26Å; M341-K366 HydrophobicContact CG-CD 3.88Å; M341-K366 HydrophobicContact CG-CG 4.19Å; M341-K366 HydrophobicContact SD-CD 3.76Å; M341-K366 WeakPolarHBondContact SD-CE 3.26Å; M341-K366 HydrophobicContact SD-CG 4.35Å; M341-K366 PolarHBondContact SD-NZ 3.31Å; L364-K366 HydrophobicContact CD2-CG 4.41Å; L364-K366 PolarHBondContact O-N 2.84Å
367K83.1Confident85.1Confident131 Ų13180.6 Ų80.657%0.5740%0.404SS*.EExtended strand (participates in β ladder)trans-149.9151.6-171.2-172.7176.3178.8-176.10109.5G338 E339 L365G338-K367 CarbonylContact C-O 3.44Å; G338-K367 VanDerWaalsContact CA-O 3.27Å; G338-K367 WeakPolarHBondContact CA-O 3.41Å; E339-K367 HydrophobicContact CB-CB 4.47Å; E339-K367 PolarHBondContact N-O 3.29Å; L365-K367 WeakPolarHBondContact CD1-O 3.38Å
368I83.4Confident84.6Confident24 Ų2481.4 Ų81.412%0.12341%0.41CS..EExtended strand (participates in β ladder)trans-132.3136.6171.5-169164.9000109.7M315 T337 V412M315-I368 HydrophobicContact CG-CD1 4Å; M315-I368 HydrophobicContact SD-CD1 4.49Å; T337-I368 CarbonylContact O-C 3.48Å; I368-V412 HydrophobicContact CD1-CB 4.15Å; I368-V412 HydrophobicContact CD1-CG1 4.41Å; I368-V412 HydrophobicContact CD1-CG2 3.81Å; I368-V412 HydrophobicContact CG2-CG1 3.96Å
369K80.3Confident84.3Confident126 Ų12682.5 Ų82.555%0.54842%0.416SS..PPolyproline II helixtrans-79.1117.3163.3-62-179.8-175.9174.30106.9E335 T337E335-K369 IonicContact OE2-NZ 2.85Å; T337-K369 PolarHBondContact O-N 3.14Å
370R78.1Confident84Confident101 Ų10179.3 Ų79.338%0.38140%0.4SS..PPolyproline II helixtrans-81.7155.4173.4-74.1-171.7173.5132.5-0.9110.9E382 V412R370-E382 VanDerWaalsContact CB-OE2 3.26Å; R370-E382 WeakPolarHBondContact CB-OE2 3.21Å; R370-E382 WeakPolarHBondContact CD-OE2 3.2Å; R370-E382 WeakPolarHBondContact CG-OE2 3.27Å; R370-V412 PolarHBondContact NH2-O 3.43Å
371C74.4Confident83.8Confident65 Ų6580.2 Ų80.244%0.43940%0.404SS..PPolyproline II helixtrans-76.2159.2171.4-68.30000110.8R373C371-R373 PolarHBondContact O-N 2.76Å
372E74.1Confident83.7Confident192 Ų19275.1 Ų75.190%0.89738%0.382SS*.PPolyproline II helixtrans-71.1117.5165.8-65.9-175.215300109
373R73.4Confident83.8Confident123 Ų12372.6 Ų72.646%0.46437%0.368SS..PPolyproline II helixtrans-76.2149.3-179.3-83176-82.3113.810.2111.5C371 E377 V379 E382C371-R373 PolarHBondContact O-N 2.76Å; R373-E377 WeakPolarHBondContact CD-O 3.25Å; R373-E377 HydrophobicContact CG-CB 4.49Å; R373-E377 HydrophobicContact CG-CG 4.5Å; R373-V379 VanDerWaalsContact CZ-CG2 3.43Å; R373-E382 WeakPolarHBondContact CD-OE1 3.06Å; R373-E382 HydrophobicContact CG-CG 4.16Å; R373-E382 IonicContact CZ-OE1 3.57Å; R373-E382 IonicContact NE-OE1 3.51Å; R373-E382 PolarHBondContact NE-OE1 3.02Å
374K68.6Low83.7Confident183 Ų18372.9 Ų72.980%0.79637%0.37SS*.  trans-108.2128.4178.1-66.5-178.2178.5-177.80110.5T376K374-T376 PolarHBondContact O-N 2.99Å
375G73.6Confident83.7Confident83 Ų8371.5 Ų71.586%0.85636%0.362SS*.THydrogen-bonded Turntrans61.3-132.7177.400000113.3E377G375-E377 PolarHBondContact O-N 3.4Å
376T73.8Confident83.8Confident138 Ų13871.5 Ų71.585%0.84736%0.362SS*.THydrogen-bonded Turntrans-9319-172.551.80000114.3K374K374-T376 PolarHBondContact O-N 2.99Å
377E80.9Confident84.2Confident74 Ų7466.8 Ų66.835%0.34634%0.342SS..  trans-65.9132.9179.8-171.8173.8-147.900112.7R373 G375 E381R373-E377 WeakPolarHBondContact CD-O 3.25Å; R373-E377 HydrophobicContact CG-CB 4.49Å; R373-E377 HydrophobicContact CG-CG 4.5Å; G375-E377 PolarHBondContact O-N 3.4Å; E377-E381 HydrophobicContact CG-CB 3.97Å
378S85.5Confident84.8Confident47 Ų4760.6 Ų60.633%0.32932%0.315SS..  trans-80.4147.7175.4177.80000111.6T380 E381S378-T380 PolarHBondContact O-N 3.16Å; S378-T380 PolarHBondContact OG-N 3Å; S378-T380 VanDerWaalsContact OG-N 3.14Å; S378-T380 PolarHBondContact OG-OG1 3.19Å; S378-E381 WeakPolarHBondContact CB-OE1 3.17Å; S378-E381 PolarHBondContact N-OE1 2.58Å; S378-E381 WeakPolarHBondContact O-CB 3.49Å; S378-E381 PolarHBondContact O-N 3.45Å
379V87.9Confident85.4Confident24 Ų2460.2 Ų60.215%0.14532%0.315CS..THydrogen-bonded Turntrans-53.7-25.1167.7172.80000112.8R373 E381R373-V379 VanDerWaalsContact CZ-CG2 3.43Å; V379-E381 VanDerWaalsContact C-N 3.26Å; V379-E381 PolarHBondContact O-N 2.92Å
380T91.6Very high86.1Confident6 Ų654.5 Ų54.54%0.03729%0.291CS..THydrogen-bonded Turntrans-82.40.2177.557.90000114S378 V411 Q418 N421 T425S378-T380 PolarHBondContact O-N 3.16Å; S378-T380 PolarHBondContact OG-N 3Å; S378-T380 VanDerWaalsContact OG-N 3.14Å; S378-T380 PolarHBondContact OG-OG1 3.19Å; T380-V411 WeakPolarHBondContact O-CG1 3.33Å; T380-Q418 HydrophobicContact CG2-CB 3.85Å; T380-Q418 HydrophobicContact CG2-CG 4.43Å; T380-N421 HydrophobicContact CG2-CB 4.01Å; T380-N421 WeakPolarHBondContact OG1-CB 3.43Å; T380-T425 WeakPolarHBondContact O-CB 3.28Å; T380-T425 PolarHBondContact O-OG1 2.96Å
381E92.6Very high86.7Confident22 Ų2252.3 Ų52.310%0.10329%0.291CS..THydrogen-bonded Turntrans-99.2-20.6172.7-61.3177.8-100.300111.9E377 S378 V379 K383 W499 K504E377-E381 HydrophobicContact CG-CB 3.97Å; S378-E381 WeakPolarHBondContact CB-OE1 3.17Å; S378-E381 PolarHBondContact N-OE1 2.58Å; S378-E381 WeakPolarHBondContact O-CB 3.49Å; S378-E381 PolarHBondContact O-N 3.45Å; V379-E381 VanDerWaalsContact C-N 3.26Å; V379-E381 PolarHBondContact O-N 2.92Å; E381-K383 WeakPolarHBondContact O-CG 3.37Å; E381-K383 PolarHBondContact O-N 3.46Å; E381-W499 HydrophobicContact CG-CZ2 4.06Å; E381-W499 PolarHBondContact OE2-NE1 2.81Å; E381-K504 WeakPolarHBondContact OE1-CE 3.48Å; E381-K504 IonicContact OE1-NZ 3.04Å; E381-K504 PolarHBondContact OE1-NZ 3.06Å; E381-K504 WeakPolarHBondContact OE2-CE 3.44Å; E381-K504 IonicContact OE2-NZ 3.73Å; E381-K504 PolarHBondContact OE2-NZ 3.35Å
382E91.9Very high87.3Confident24 Ų2449.9 Ų49.911%0.11227%0.273CS..  trans-59.9102.8178.8-65.2179.2-13900111.6R370 R373R370-E382 VanDerWaalsContact CB-OE2 3.26Å; R370-E382 WeakPolarHBondContact CB-OE2 3.21Å; R370-E382 WeakPolarHBondContact CD-OE2 3.2Å; R370-E382 WeakPolarHBondContact CG-OE2 3.27Å; R373-E382 WeakPolarHBondContact CD-OE1 3.06Å; R373-E382 HydrophobicContact CG-CG 4.16Å; R373-E382 IonicContact CZ-OE1 3.57Å; R373-E382 IonicContact NE-OE1 3.51Å; R373-E382 PolarHBondContact NE-OE1 3.02Å
383K94.1Very high87.8Confident24 Ų2445.7 Ų45.710%0.10425%0.254CS..EExtended strand (participates in β ladder)trans-84.1133.9179.2-58.8176.5-169.51800111.9E318 E381 P409 T425 D429 F440E318-K383 WeakPolarHBondContact CB-O 3.04Å; E318-K383 PolarHBondContact N-O 3.33Å; E318-K383 VanDerWaalsContact N-O 3.14Å; E381-K383 WeakPolarHBondContact O-CG 3.37Å; E381-K383 PolarHBondContact O-N 3.46Å; K383-P409 HydrophobicContact CB-CB 4.38Å; K383-P409 HydrophobicContact CD-CB 4.41Å; K383-T425 HydrophobicContact CG-CG2 4.4Å; K383-D429 IonicContact NZ-OD2 3.69Å; K383-D429 PolarHBondContact NZ-OD2 3.15Å; K383-F440 HydrophobicContact CB-CD2 3.95Å; K383-F440 HydrophobicContact CD-CB 3.56Å; K383-F440 HydrophobicContact CD-CG 4.35Å; K383-F440 PolarHBondContact NZ-O 3.21Å
384C93.6Very high88.1Confident7 Ų740.7 Ų40.75%0.04724%0.237CC..EExtended strand (participates in β ladder)trans-128.9174172.5-620000109.8M315 V316 P409 L410M315-C384 HydrophobicContact SD-CB 3.83Å; V316-C384 CarbonylContact O-C 3.57Å; V316-C384 VanDerWaalsContact O-CA 3.32Å; V316-C384 WeakPolarHBondContact O-CA 3.36Å; V316-C384 WeakPolarHBondContact O-CB 3.41Å; C384-P409 CarbonylContact O-C 3.59Å; C384-P409 WeakPolarHBondContact O-CA 3.18Å; C384-L410 HydrophobicContact CB-CD1 4.15Å; C384-L410 PolarHBondContact N-O 3.29Å; C384-L410 PolarHBondContact O-N 3.29Å
385A95.1Very high88Confident0 Ų034.2 Ų34.20%022%0.222CC..EExtended strand (participates in β ladder)trans-150163.517000000111.4M315 V316 L406 S407 F440M315-A385 VanDerWaalsContact SD-O 3.35Å; V316-A385 HydrophobicContact CG2-CB 4.25Å; V316-A385 WeakPolarHBondContact CG2-O 3.35Å; V316-A385 PolarHBondContact N-O 3.48Å; V316-A385 PolarHBondContact O-N 2.83Å; A385-L406 HydrophobicContact CB-CD1 3.73Å; A385-L406 HydrophobicContact CB-CG 3.9Å; A385-S407 WeakPolarHBondContact CB-OG 3.44Å; A385-F440 HydrophobicContact CB-CE2 4.2Å; A385-F440 HydrophobicContact CB-CZ 3.61Å
386V95.9Very high87.3Confident0 Ų036.3 Ų36.30%022%0.221CC..EExtended strand (participates in β ladder)trans-91121.3166.5-175.10000108.5P279 F289 A313 D314 M315 F388 S407 L410P279-V386 HydrophobicContact CG-CG2 4.23Å; F289-V386 HydrophobicContact CE2-CG2 4.4Å; A313-V386 HydrophobicContact CB-CG1 3.85Å; D314-V386 CarbonylContact O-C 3.59Å; D314-V386 WeakPolarHBondContact O-CA 3.41Å; M315-V386 HydrophobicContact CE-CG2 4.02Å; V386-F388 HydrophobicContact CB-CE2 3.91Å; V386-F388 HydrophobicContact CB-CZ 3.95Å; V386-F388 HydrophobicContact CG1-CD1 4.33Å; V386-F388 HydrophobicContact CG1-CD2 4.27Å; V386-F388 HydrophobicContact CG1-CE1 3.79Å; V386-F388 HydrophobicContact CG1-CE2 3.72Å; V386-F388 HydrophobicContact CG1-CZ 3.44Å; V386-F388 VanDerWaalsContact CG1-CZ 3.44Å; V386-S407 PolarHBondContact N-OG 3.17Å; V386-S407 PolarHBondContact O-N 2.97Å; V386-L410 HydrophobicContact CG2-CD2 4.1Å
387L96.1Very high86.7Confident9 Ų935.8 Ų35.85%0.04721%0.213CC..EExtended strand (participates in β ladder)trans-87.6119.5167.5179.265.7000108.7A313 D314 V316 L324 Q404 L406A313-L387 CarbonylContact C-O 3.49Å; A313-L387 WeakPolarHBondContact CA-O 3.46Å; D314-L387 PolarHBondContact N-O 2.87Å; D314-L387 PolarHBondContact O-N 3.23Å; V316-L387 HydrophobicContact CG1-CB 3.92Å; V316-L387 HydrophobicContact CG1-CD2 4.29Å; V316-L387 HydrophobicContact CG2-CB 4.18Å; L324-L387 HydrophobicContact CD1-CD1 4.12Å; L324-L387 HydrophobicContact CD1-CD2 3.72Å; L324-L387 HydrophobicContact CD1-CG 4.45Å; L387-Q404 HydrophobicContact CD1-CB 4.17Å; L387-Q404 HydrophobicContact CD1-CG 4.45Å; L387-L406 HydrophobicContact CB-CD1 4.31Å; L387-L406 HydrophobicContact CD1-CD1 4.27Å
388F96.8Very high86.2Confident0 Ų040 Ų400%023%0.23CC..EExtended strand (participates in β ladder)trans-95.1128.2167.9-58.7-83.9000108.8F273 V275 A291 V293 V311 R312 A313 F360 V386 Q404 A405F273-F388 HydrophobicContact CE1-CB 4.24Å; F273-F388 HydrophobicContact CZ-CB 4.43Å; V275-F388 HydrophobicContact CG1-CE2 4.15Å; V275-F388 HydrophobicContact CG2-CD2 3.7Å; V275-F388 HydrophobicContact CG2-CE2 3.89Å; A291-F388 HydrophobicContact CB-CE1 4.15Å; A291-F388 HydrophobicContact CB-CZ 3.56Å; V293-F388 HydrophobicContact CG1-CB 3.7Å; V293-F388 HydrophobicContact CG1-CD1 3.88Å; V293-F388 HydrophobicContact CG1-CD2 3.71Å; V293-F388 HydrophobicContact CG1-CE1 4.47Å; V293-F388 HydrophobicContact CG1-CE2 4.33Å; V293-F388 HydrophobicContact CG1-CG 3.45Å; V293-F388 VanDerWaalsContact CG1-CG 3.45Å; V311-F388 HydrophobicContact CG1-CB 4.14Å; V311-F388 HydrophobicContact CG1-CD1 4.49Å; R312-F388 CarbonylContact O-C 3.48Å; R312-F388 WeakPolarHBondContact O-CA 3.35Å; A313-F388 HydrophobicContact CB-CD1 3.94Å; A313-F388 HydrophobicContact CB-CE1 3.86Å; F360-F388 HydrophobicContact CD2-CD1 4.26Å; F360-F388 AromaticContact CD2-CE1 3.84Å; F360-F388 HydrophobicContact CD2-CE1 3.84Å; F360-F388 AromaticContact CE2-CD1 3.59Å; F360-F388 HydrophobicContact CE2-CD1 3.59Å; F360-F388 AromaticContact CE2-CE1 3.66Å; F360-F388 HydrophobicContact CE2-CE1 3.66Å; F360-F388 AromaticContact CZ-CD1 4Å; F360-F388 HydrophobicContact CZ-CD1 4Å; F360-F388 HydrophobicContact CZ-CE1 4.26Å; V386-F388 HydrophobicContact CB-CE2 3.91Å; V386-F388 HydrophobicContact CB-CZ 3.95Å; V386-F388 HydrophobicContact CG1-CD1 4.33Å; V386-F388 HydrophobicContact CG1-CD2 4.27Å; V386-F388 HydrophobicContact CG1-CE1 3.79Å; V386-F388 HydrophobicContact CG1-CE2 3.72Å; V386-F388 HydrophobicContact CG1-CZ 3.44Å; V386-F388 VanDerWaalsContact CG1-CZ 3.44Å; F388-Q404 CarbonylContact O-C 3.56Å; F388-Q404 WeakPolarHBondContact O-CA 3.25Å; F388-A405 PolarHBondContact N-O 2.96Å; F388-A405 PolarHBondContact O-N 3.45Å
389S95.3Very high85.9Confident17 Ų1743.4 Ų43.412%0.11924%0.241CC..EExtended strand (participates in β ladder)trans-134.3142.7-177.765.70000111.6V311 R312 L403V311-S389 WeakPolarHBondContact CA-O 3.32Å; R312-S389 PolarHBondContact N-O 3.49Å; R312-S389 PolarHBondContact O-N 2.9Å; S389-L403 WeakPolarHBondContact CA-O 3.36Å
390T94.3Very high85.8Confident6 Ų648 Ų484%0.03726%0.264CS..EExtended strand (participates in β ladder)trans-154.8165172-166.50000110.4F273 L310 V311 H402 L403F273-T390 HydrophobicContact CE2-CG2 4.36Å; F273-T390 HydrophobicContact CZ-CG2 4.07Å; L310-T390 WeakPolarHBondContact O-CB 3.44Å; L310-T390 PolarHBondContact O-OG1 2.97Å; V311-T390 HydrophobicContact CG2-CG2 4.36Å; T390-H402 PolarHBondContact O-ND1 2.98Å; T390-L403 HydrophobicContact CG2-CB 3.87Å; T390-L403 HydrophobicContact CG2-CD1 4.08Å; T390-L403 HydrophobicContact CG2-CG 4.43Å; T390-L403 PolarHBondContact N-O 3.49Å; T390-L403 PolarHBondContact O-N 3.26Å
391S90.8Very high85.6Confident54 Ų5448.8 Ų48.838%0.37827%0.267SS..EExtended strand (participates in β ladder)trans-140.9143176.3-52.90000111.2I401 H402S391-I401 VanDerWaalsContact CA-O 3.23Å; S391-I401 WeakPolarHBondContact CA-O 3.49Å; S391-H402 PolarHBondContact OG-ND1 3.37Å
392F88.2Confident85.5Confident15 Ų1552 Ų527%0.06628%0.282CS..EExtended strand (participates in β ladder)trans-148.1167.9176.775.1-76.5000111V269 F295 F301 L302 L394 I401 L403V269-F392 HydrophobicContact CG1-CE1 4.43Å; V269-F392 HydrophobicContact CG1-CZ 4.12Å; F295-F392 HydrophobicContact CE1-CE1 4.1Å; F295-F392 AromaticContact CE1-CZ 3.98Å; F295-F392 HydrophobicContact CE1-CZ 3.98Å; F295-F392 AromaticContact CZ-CE1 3.99Å; F295-F392 HydrophobicContact CZ-CE1 3.99Å; F295-F392 AromaticContact CZ-CZ 3.77Å; F295-F392 HydrophobicContact CZ-CZ 3.77Å; F301-F392 HydrophobicContact CB-CE2 3.97Å; L302-F392 HydrophobicContact CD2-CB 4.09Å; L302-F392 HydrophobicContact CD2-CD2 3.73Å; L302-F392 HydrophobicContact CD2-CE2 4.39Å; L302-F392 HydrophobicContact CD2-CG 3.98Å; F392-L394 HydrophobicContact CE2-CB 4.26Å; F392-L394 HydrophobicContact CE2-CD1 3.78Å; F392-L394 HydrophobicContact CZ-CD1 4.11Å; F392-I401 HydrophobicContact CE1-CB 4.44Å; F392-I401 HydrophobicContact CE1-CG2 4.36Å; F392-I401 PolarHBondContact N-O 2.92Å; F392-I401 PolarHBondContact O-N 2.78Å; F392-L403 HydrophobicContact CD1-CD1 4.16Å; F392-L403 HydrophobicContact CD1-CG 4.38Å; F392-L403 HydrophobicContact CE1-CD1 3.72Å; F392-L403 HydrophobicContact CE1-CD2 4.38Å; F392-L403 HydrophobicContact CE1-CG 3.92Å
393M84.6Confident85.6Confident104 Ų10450.8 Ų50.851%0.51228%0.277SS..EExtended strand (participates in β ladder)trans-93120.1179.5-48-53.1-6500109.7K398 H399 L400M393-K398 HydrophobicContact CE-CB 3.99Å; M393-K398 WeakPolarHBondContact CE-O 3.23Å; M393-H399 CarbonylContact C-O 3.59Å; M393-H399 WeakPolarHBondContact CA-O 3.41Å; M393-L400 HydrophobicContact CE-CB 4.06Å; M393-L400 HydrophobicContact SD-CB 4.09Å; M393-L400 HydrophobicContact SD-CD1 3.57Å; M393-L400 VanDerWaalsContact SD-CD1 3.57Å; M393-L400 HydrophobicContact SD-CG 4.45Å
394L79.5Confident85.6Confident17 Ų1753.4 Ų53.49%0.08929%0.289CS..EExtended strand (participates in β ladder)trans-96.6137.6174.5-166.872.2000111.2L265 V269 F301 F392 H399 I401L265-L394 HydrophobicContact CD2-CD2 3.73Å; L265-L394 HydrophobicContact CG-CD2 4.05Å; V269-L394 HydrophobicContact CG2-CD2 4.4Å; F301-L394 HydrophobicContact CB-CD1 4.31Å; F301-L394 HydrophobicContact CD1-CD1 3.43Å; F301-L394 VanDerWaalsContact CD1-CD1 3.43Å; F301-L394 HydrophobicContact CD2-CD1 4.05Å; F301-L394 HydrophobicContact CE1-CD1 3.65Å; F301-L394 HydrophobicContact CE2-CD1 4.22Å; F301-L394 HydrophobicContact CG-CD1 3.66Å; F301-L394 HydrophobicContact CZ-CD1 4.05Å; F392-L394 HydrophobicContact CE2-CB 4.26Å; F392-L394 HydrophobicContact CE2-CD1 3.78Å; F392-L394 HydrophobicContact CZ-CD1 4.11Å; L394-H399 PolarHBondContact N-O 2.97Å; L394-H399 PolarHBondContact O-N 3.25Å; L394-I401 HydrophobicContact CB-CD1 3.72Å; L394-I401 HydrophobicContact CB-CG1 4.12Å; L394-I401 HydrophobicContact CD2-CD1 3.38Å; L394-I401 HydrophobicContact CG-CD1 4.14Å
395G65.9Low85.7Confident48 Ų4853.5 Ų53.550%0.49529%0.29SS..THydrogen-bonded Turntrans73.2170.6168.900000115.9N397 K398G395-N397 PolarHBondContact O-N 2.73Å; G395-K398 PolarHBondContact O-N 3.3Å; G395-K398 VanDerWaalsContact O-N 3.11Å
396P59.1Low85.7Confident127 Ų12756.2 Ų56.283%0.82530%0.304SS*.THydrogen-bonded Turntrans-62.6-30.8179.126.4-34.7000112.2K398P396-K398 PolarHBondContact O-N 2.92Å
397N61.5Low85.7Confident127 Ų12756.4 Ų56.468%0.67931%0.306SS*.THydrogen-bonded Turntrans-76.86.3178.3-62.7-7.3000113.4G395 H399G395-N397 PolarHBondContact O-N 2.73Å; N397-H399 PolarHBondContact O-N 3.31Å; N397-H399 PolarHBondContact O-ND1 2.82Å; N397-H399 VanDerWaalsContact O-ND1 3.1Å
398K70Confident85.8Confident161 Ų16157.1 Ų57.170%0.731%0.31SS*.THydrogen-bonded Turntrans46.555.4176-62.4178.5-178.9175.60113.3M393 G395 P396M393-K398 HydrophobicContact CE-CB 3.99Å; M393-K398 WeakPolarHBondContact CE-O 3.23Å; G395-K398 PolarHBondContact O-N 3.3Å; G395-K398 VanDerWaalsContact O-N 3.11Å; P396-K398 PolarHBondContact O-N 2.92Å
399H79.6Confident85.7Confident120 Ų12057.2 Ų57.256%0.55631%0.31SS*.EExtended strand (participates in β ladder)trans-81124.8173.3-77.246.4000109.7M393 L394 N397 I401M393-H399 CarbonylContact C-O 3.59Å; M393-H399 WeakPolarHBondContact CA-O 3.41Å; L394-H399 PolarHBondContact N-O 2.97Å; L394-H399 PolarHBondContact O-N 3.25Å; N397-H399 PolarHBondContact O-N 3.31Å; N397-H399 PolarHBondContact O-ND1 2.82Å; N397-H399 VanDerWaalsContact O-ND1 3.1Å; H399-I401 PolarHBondContact O-N 3.35Å
400L85Confident85.8Confident121 Ų12156.4 Ų56.463%0.63431%0.305SS*.EExtended strand (participates in β ladder)trans-72.8116.3175.4-179.169.5000109.1M393M393-L400 HydrophobicContact CE-CB 4.06Å; M393-L400 HydrophobicContact SD-CB 4.09Å; M393-L400 HydrophobicContact SD-CD1 3.57Å; M393-L400 VanDerWaalsContact SD-CD1 3.57Å; M393-L400 HydrophobicContact SD-CG 4.45Å
401I87.8Confident85.9Confident21 Ų2156.1 Ų56.111%0.10830%0.303CS..EExtended strand (participates in β ladder)trans-104.8134171.3-67.5-171.2000109.3V269 S391 F392 L394 H399 L403V269-I401 HydrophobicContact CG1-CD1 4.36Å; V269-I401 HydrophobicContact CG1-CG2 4.33Å; S391-I401 VanDerWaalsContact CA-O 3.23Å; S391-I401 WeakPolarHBondContact CA-O 3.49Å; F392-I401 HydrophobicContact CE1-CB 4.44Å; F392-I401 HydrophobicContact CE1-CG2 4.36Å; F392-I401 PolarHBondContact N-O 2.92Å; F392-I401 PolarHBondContact O-N 2.78Å; L394-I401 HydrophobicContact CB-CD1 3.72Å; L394-I401 HydrophobicContact CB-CG1 4.12Å; L394-I401 HydrophobicContact CD2-CD1 3.38Å; L394-I401 HydrophobicContact CG-CD1 4.14Å; H399-I401 PolarHBondContact O-N 3.35Å; I401-L403 HydrophobicContact CG2-CD2 4.2Å
402H90.4Very high86.1Confident89 Ų8953.8 Ų53.841%0.41229%0.287SS..EExtended strand (participates in β ladder)trans-96.5126168.3-165.645.6000109.1T390 S391 Q404T390-H402 PolarHBondContact O-ND1 2.98Å; S391-H402 PolarHBondContact OG-ND1 3.37Å; H402-Q404 PolarHBondContact CD2-NE2 3Å; H402-Q404 PolarHBondContact NE2-NE2 3.43Å
403L93.3Very high86.4Confident0 Ų053.5 Ų53.50%029%0.285CS..EExtended strand (participates in β ladder)trans-101.6133.5170.9-65.1179.1000108.7V269 F273 F295 S389 T390 F392 I401V269-L403 HydrophobicContact CG1-CD2 3.98Å; F273-L403 HydrophobicContact CB-CB 4.23Å; F273-L403 HydrophobicContact CB-CD1 4.18Å; F273-L403 HydrophobicContact CB-CD2 4.29Å; F273-L403 HydrophobicContact CB-CG 4.48Å; F273-L403 HydrophobicContact CD1-CB 3.74Å; F273-L403 HydrophobicContact CD2-CD1 4.16Å; F273-L403 HydrophobicContact CE1-CB 4.18Å; F273-L403 HydrophobicContact CG-CB 3.96Å; F273-L403 HydrophobicContact CG-CD1 4.13Å; F295-L403 HydrophobicContact CD1-CD1 4.23Å; F295-L403 HydrophobicContact CD2-CD1 3.92Å; F295-L403 HydrophobicContact CE1-CD1 4.19Å; F295-L403 HydrophobicContact CE2-CD1 3.86Å; F295-L403 HydrophobicContact CE2-CD2 4.5Å; F295-L403 HydrophobicContact CG-CD1 4.14Å; F295-L403 HydrophobicContact CZ-CD1 4.01Å; S389-L403 WeakPolarHBondContact CA-O 3.36Å; T390-L403 HydrophobicContact CG2-CB 3.87Å; T390-L403 HydrophobicContact CG2-CD1 4.08Å; T390-L403 HydrophobicContact CG2-CG 4.43Å; T390-L403 PolarHBondContact N-O 3.49Å; T390-L403 PolarHBondContact O-N 3.26Å; F392-L403 HydrophobicContact CD1-CD1 4.16Å; F392-L403 HydrophobicContact CD1-CG 4.38Å; F392-L403 HydrophobicContact CE1-CD1 3.72Å; F392-L403 HydrophobicContact CE1-CD2 4.38Å; F392-L403 HydrophobicContact CE1-CG 3.92Å; I401-L403 HydrophobicContact CG2-CD2 4.2Å
404Q94.4Very high86.8Confident78 Ų7852 Ų5236%0.36428%0.282SS..EExtended strand (participates in β ladder)trans-133.2136.8174.5-70.6-173.7-700109.9L387 F388 H402L387-Q404 HydrophobicContact CD1-CB 4.17Å; L387-Q404 HydrophobicContact CD1-CG 4.45Å; F388-Q404 CarbonylContact O-C 3.56Å; F388-Q404 WeakPolarHBondContact O-CA 3.25Å; H402-Q404 PolarHBondContact CD2-NE2 3Å; H402-Q404 PolarHBondContact NE2-NE2 3.43Å
405A95.6Very high87.4Confident9 Ų956.7 Ų56.77%0.07430%0.303CS..EExtended strand (participates in β ladder)trans-137.4128.6173.400000109.4F273 V275 F388F273-A405 HydrophobicContact CD1-CB 3.49Å; F273-A405 VanDerWaalsContact CD1-CB 3.49Å; F273-A405 HydrophobicContact CE1-CB 3.81Å; F273-A405 HydrophobicContact CG-CB 4.28Å; V275-A405 HydrophobicContact CG2-CB 4.08Å; F388-A405 PolarHBondContact N-O 2.96Å; F388-A405 PolarHBondContact O-N 3.45Å
406L95.2Very high88.6Confident57 Ų5756.6 Ų56.630%0.29830%0.302SS..EExtended strand (participates in β ladder)trans-95.6139.7178.7-162.366.1000109.7V316 A321 A385 L387 F440V316-L406 HydrophobicContact CG2-CD1 3.66Å; A321-L406 HydrophobicContact CB-CD2 3.92Å; A385-L406 HydrophobicContact CB-CD1 3.73Å; A385-L406 HydrophobicContact CB-CG 3.9Å; L387-L406 HydrophobicContact CB-CD1 4.31Å; L387-L406 HydrophobicContact CD1-CD1 4.27Å; L406-F440 HydrophobicContact CD2-CE1 4Å; L406-F440 HydrophobicContact CD2-CZ 3.77Å; L406-F440 HydrophobicContact CG-CZ 4.43Å
407S97Very high90.2Very high5 Ų556.1 Ų56.14%0.03529%0.293CS..PPolyproline II helixtrans-66.2167.4168.273.70000111.5A385 V386A385-S407 WeakPolarHBondContact CB-OG 3.44Å; V386-S407 PolarHBondContact N-OG 3.17Å; V386-S407 PolarHBondContact O-N 2.97Å
408L96.8Very high91.7Very high23 Ų2351.8 Ų51.812%0.1227%0.269CS..PPolyproline II helixtrans-55.5152.9157.3-66.5178000110Q209 Q278 Q281Q209-L408 HydrophobicContact CB-CD1 4.22Å; Q209-L408 HydrophobicContact CB-CD2 3.86Å; Q209-L408 HydrophobicContact CG-CD1 4.24Å; Q209-L408 HydrophobicContact CG-CD2 3.79Å; Q278-L408 HydrophobicContact CG-CD1 4.02Å; Q278-L408 HydrophobicContact CG-CG 4.19Å; Q281-L408 HydrophobicContact CG-CB 4.4Å
409P95.9Very high92.9Very high2 Ų246.7 Ų46.71%0.01325%0.249CC..PPolyproline II helixtrans-60.1142.7174.722.6-30.6000111Q281 K383 C384 I426 D429 F440Q281-P409 WeakPolarHBondContact CG-O 3.24Å; Q281-P409 PolarHBondContact NE2-O 3.02Å; K383-P409 HydrophobicContact CB-CB 4.38Å; K383-P409 HydrophobicContact CD-CB 4.41Å; C384-P409 CarbonylContact O-C 3.59Å; C384-P409 WeakPolarHBondContact O-CA 3.18Å; P409-I426 WeakPolarHBondContact O-CD1 3.27Å; P409-D429 WeakPolarHBondContact CG-OD1 3.45Å; P409-F440 HydrophobicContact CB-CB 4.34Å; P409-F440 HydrophobicContact CB-CD1 3.7Å; P409-F440 HydrophobicContact CB-CD2 4.08Å; P409-F440 HydrophobicContact CB-CE1 3.93Å; P409-F440 HydrophobicContact CB-CE2 4.3Å; P409-F440 HydrophobicContact CB-CG 3.79Å; P409-F440 HydrophobicContact CB-CZ 4.24Å; P409-F440 HydrophobicContact CG-CB 4.5Å; P409-F440 HydrophobicContact CG-CD1 3.76Å; P409-F440 HydrophobicContact CG-CE1 4.18Å; P409-F440 HydrophobicContact CG-CG 4.18Å
410L96.3Very high93.7Very high0 Ų042.4 Ų42.40%023%0.23CC..EExtended strand (participates in β ladder)trans-132.4151.6178.165.484.7000110.6P279 Q281 L283 M315 C384 V386 V412P279-L410 HydrophobicContact CB-CD2 4.26Å; P279-L410 HydrophobicContact CG-CD2 3.8Å; Q281-L410 CarbonylContact O-C 3.56Å; Q281-L410 WeakPolarHBondContact O-CA 3.25Å; Q281-L410 WeakPolarHBondContact O-CB 3.3Å; L283-L410 HydrophobicContact CB-CD1 4.21Å; L283-L410 HydrophobicContact CD2-CD1 4.24Å; M315-L410 HydrophobicContact CE-CD1 4.41Å; M315-L410 HydrophobicContact SD-CD1 4.38Å; C384-L410 HydrophobicContact CB-CD1 4.15Å; C384-L410 PolarHBondContact N-O 3.29Å; C384-L410 PolarHBondContact O-N 3.29Å; V386-L410 HydrophobicContact CG2-CD2 4.1Å; L410-V412 HydrophobicContact CD1-CG2 3.51Å
411V96.6Very high94.3Very high0 Ų038.3 Ų38.30%021%0.209CC..EExtended strand (participates in β ladder)trans-109131.2176.1174.20000109Q281 L283 T380 I413 A422 T425 I426Q281-V411 PolarHBondContact O-N 3.24Å; L283-V411 PolarHBondContact N-O 3.13Å; T380-V411 WeakPolarHBondContact O-CG1 3.33Å; V411-I413 HydrophobicContact CG1-CG2 4.36Å; V411-A422 HydrophobicContact CB-CB 4.02Å; V411-A422 HydrophobicContact CG1-CB 3.64Å; V411-T425 HydrophobicContact CG2-CG2 3.96Å; V411-I426 HydrophobicContact CG2-CD1 3.99Å; V411-I426 HydrophobicContact CG2-CG1 4.32Å
412V95.3Very high94.7Very high6 Ų637.3 Ų37.34%0.03620%0.204CC..EExtended strand (participates in β ladder)trans-99.8105.5-176.4-177.70000112.1L283 T285 L365 I368 R370 L410L283-V412 CarbonylContact O-C 3.57Å; L283-V412 WeakPolarHBondContact O-CA 3.36Å; T285-V412 HydrophobicContact CG2-CG1 3.65Å; L365-V412 HydrophobicContact CD2-CB 4.48Å; L365-V412 HydrophobicContact CD2-CG1 3.6Å; L365-V412 HydrophobicContact CD2-CG2 3.98Å; I368-V412 HydrophobicContact CD1-CB 4.15Å; I368-V412 HydrophobicContact CD1-CG1 4.41Å; I368-V412 HydrophobicContact CD1-CG2 3.81Å; I368-V412 HydrophobicContact CG2-CG1 3.96Å; R370-V412 PolarHBondContact NH2-O 3.43Å; L410-V412 HydrophobicContact CD1-CG2 3.51Å
413I95.2Very high95.1Very high8 Ų835.4 Ų35.44%0.04119%0.194CC..EExtended strand (participates in β ladder)trans-95.1153.7178.665.5169.8000112V282 L283 K284 T285 V411 Q418 D419 A422V282-I413 HydrophobicContact CG1-CD1 3.71Å; V282-I413 HydrophobicContact CG1-CG1 4.09Å; V282-I413 HydrophobicContact CG1-CG2 4.17Å; L283-I413 PolarHBondContact O-N 3.42Å; K284-I413 CarbonylContact C-O 3.49Å; K284-I413 WeakPolarHBondContact CA-O 3.23Å; K284-I413 HydrophobicContact CB-CD1 4.39Å; K284-I413 HydrophobicContact CB-CG1 3.99Å; K284-I413 HydrophobicContact CG-CG1 4.31Å; T285-I413 PolarHBondContact N-O 3.45Å; V411-I413 HydrophobicContact CG1-CG2 4.36Å; I413-Q418 HydrophobicContact CB-CB 3.88Å; I413-Q418 HydrophobicContact CG2-CB 3.56Å; I413-D419 HydrophobicContact CD1-CB 4.18Å; I413-A422 HydrophobicContact CG2-CB 3.76Å
414V92.6Very high95.3Very high74 Ų7435.4 Ų35.445%0.44819%0.194SC..SBendtrans-104.7-36.4173.71770000110.7K284 T285K284-V414 WeakPolarHBondContact CE-O 3.35Å; T285-V414 HydrophobicContact CG2-CG2 4.2Å
415H91.6Very high95.5Very high114 Ų11432 Ų3253%0.52818%0.179SC..SBendtrans-131.6153.5-176.9-170.9-104.2000112.7N417 Q418H415-N417 VanDerWaalsContact C-N 3.29Å; H415-N417 PolarHBondContact ND1-OD1 3.11Å; H415-N417 PolarHBondContact O-N 3.4Å; H415-Q418 WeakPolarHBondContact O-CB 3.18Å; H415-Q418 PolarHBondContact O-N 2.96Å; H415-Q418 VanDerWaalsContact O-N 3.09Å
416G92Very high95.6Very high46 Ų4632.2 Ų32.247%0.47418%0.178SC..G310 helixtrans-67-22.1-169.800000115Q418 D419G416-Q418 PolarHBondContact O-N 3.41Å; G416-D419 WeakPolarHBondContact O-CB 3.32Å; G416-D419 PolarHBondContact O-N 2.92Å; G416-D419 VanDerWaalsContact O-N 3.15Å
417N91.4Very high95.7Very high117 Ų11729.7 Ų29.763%0.62617%0.166SC*.G310 helixtrans-67-12.7172.966.2-27.4000113.6H415H415-N417 VanDerWaalsContact C-N 3.29Å; H415-N417 PolarHBondContact ND1-OD1 3.11Å; H415-N417 PolarHBondContact O-N 3.4Å
418Q94.7Very high95.8Very high37 Ų3729.8 Ų29.817%0.17317%0.165CC..G310 helixtrans-85.7-17.1174.3-55.8-171.6-84.900113.1T380 I413 H415 G416 N420 N421 A422T380-Q418 HydrophobicContact CG2-CB 3.85Å; T380-Q418 HydrophobicContact CG2-CG 4.43Å; I413-Q418 HydrophobicContact CB-CB 3.88Å; I413-Q418 HydrophobicContact CG2-CB 3.56Å; H415-Q418 WeakPolarHBondContact O-CB 3.18Å; H415-Q418 PolarHBondContact O-N 2.96Å; H415-Q418 VanDerWaalsContact O-N 3.09Å; G416-Q418 PolarHBondContact O-N 3.41Å; Q418-N420 PolarHBondContact O-N 3Å; Q418-N421 PolarHBondContact O-N 3.4Å; Q418-A422 WeakPolarHBondContact O-CB 3.14Å; Q418-A422 PolarHBondContact O-N 3.17Å
419D95.4Very high95.8Very high53 Ų5328.8 Ų28.828%0.28316%0.16SC..Hα-helixtrans-56.4-47.8-173.3173.970.9000112.7I413 G416 N421 A422 K423I413-D419 HydrophobicContact CD1-CB 4.18Å; G416-D419 WeakPolarHBondContact O-CB 3.32Å; G416-D419 PolarHBondContact O-N 2.92Å; G416-D419 VanDerWaalsContact O-N 3.15Å; D419-N421 PolarHBondContact O-N 2.94Å; D419-A422 PolarHBondContact O-N 2.8Å; D419-K423 WeakPolarHBondContact O-CG 3.37Å; D419-K423 PolarHBondContact O-N 2.92Å; D419-K423 WeakPolarHBondContact OD2-CE 3.2Å; D419-K423 IonicContact OD2-NZ 3.74Å; D419-K423 PolarHBondContact OD2-NZ 3.26Å
420N95.7Very high95.8Very high30 Ų3028.7 Ų28.716%0.1616%0.159CC..Hα-helixtrans-55.2-51.2177.6172.8-87.2000112.6Q418 A422 K423 A424 W515 Q516 D519Q418-N420 PolarHBondContact O-N 3Å; N420-A422 PolarHBondContact O-N 2.69Å; N420-K423 WeakPolarHBondContact O-CB 3.36Å; N420-K423 PolarHBondContact O-N 3.46Å; N420-A424 PolarHBondContact O-N 3.45Å; N420-W515 PolarHBondContact O-NE1 2.67Å; N420-Q516 WeakPolarHBondContact OD1-CG 3.43Å; N420-D519 VanDerWaalsContact ND2-CB 3.31Å; N420-D519 WeakPolarHBondContact ND2-CB 3.29Å; N420-D519 PolarHBondContact ND2-OD2 2.97Å
421N96.8Very high95.8Very high36 Ų3629.2 Ų29.219%0.19316%0.163CC..Hα-helixtrans-71.2-31.1-179.5-69.8-59.6000112.3T380 Q418 D419 A424 T425 N503 Q516T380-N421 HydrophobicContact CG2-CB 4.01Å; T380-N421 WeakPolarHBondContact OG1-CB 3.43Å; Q418-N421 PolarHBondContact O-N 3.4Å; D419-N421 PolarHBondContact O-N 2.94Å; N421-A424 WeakPolarHBondContact O-CB 3.49Å; N421-A424 PolarHBondContact O-N 3.03Å; N421-T425 PolarHBondContact O-N 2.84Å; N421-T425 PolarHBondContact O-OG1 2.96Å; N421-N503 PolarHBondContact OD1-ND2 3.39Å; N421-N503 PolarHBondContact OD1-OD1 2.7Å; N421-Q516 PolarHBondContact OD1-NE2 3.3Å
422A97.5Very high95.8Very high0 Ų030.3 Ų30.30%017%0.168CC..Hα-helixtrans-68.2-41.1173.800000111.9V282 V411 I413 Q418 D419 N420 A424 T425 I426V282-A422 HydrophobicContact CB-CB 4.44Å; V282-A422 HydrophobicContact CG1-CB 3.74Å; V282-A422 HydrophobicContact CG2-CB 3.85Å; V411-A422 HydrophobicContact CB-CB 4.02Å; V411-A422 HydrophobicContact CG1-CB 3.64Å; I413-A422 HydrophobicContact CG2-CB 3.76Å; Q418-A422 WeakPolarHBondContact O-CB 3.14Å; Q418-A422 PolarHBondContact O-N 3.17Å; D419-A422 PolarHBondContact O-N 2.8Å; N420-A422 PolarHBondContact O-N 2.69Å; A422-A424 PolarHBondContact O-N 2.83Å; A422-T425 PolarHBondContact O-N 3.2Å; A422-I426 WeakPolarHBondContact O-CG1 3.41Å; A422-I426 PolarHBondContact O-N 2.83Å; A422-I426 VanDerWaalsContact O-N 3.11Å
423K97.6Very high95.7Very high48 Ų4830 Ų3021%0.20917%0.167CC..Hα-helixtrans-57.6-36.5171.8-74.9162.7168.5165.40112.2V282 D419 N420 I426 L427 W515 D519V282-K423 HydrophobicContact CG2-CG 4.26Å; D419-K423 WeakPolarHBondContact O-CG 3.37Å; D419-K423 PolarHBondContact O-N 2.92Å; D419-K423 WeakPolarHBondContact OD2-CE 3.2Å; D419-K423 IonicContact OD2-NZ 3.74Å; D419-K423 PolarHBondContact OD2-NZ 3.26Å; N420-K423 WeakPolarHBondContact O-CB 3.36Å; N420-K423 PolarHBondContact O-N 3.46Å; K423-I426 PolarHBondContact O-N 2.93Å; K423-L427 VanDerWaalsContact O-CB 3.25Å; K423-L427 WeakPolarHBondContact O-CB 3.44Å; K423-L427 PolarHBondContact O-N 3.06Å; K423-W515 HydrophobicContact CB-CZ2 3.93Å; K423-D519 IonicContact NZ-OD1 2.71Å; K423-D519 IonicContact NZ-OD2 3.21Å
424A98.1Very high95.3Very high0 Ų036.7 Ų36.70%020%0.198CC..Hα-helixtrans-58.9-49.8176.600000111.3N420 N421 A422 I426 L427 W428 W499 F502 N503 W515N420-A424 PolarHBondContact O-N 3.45Å; N421-A424 WeakPolarHBondContact O-CB 3.49Å; N421-A424 PolarHBondContact O-N 3.03Å; A422-A424 PolarHBondContact O-N 2.83Å; A424-I426 VanDerWaalsContact C-N 3.32Å; A424-I426 PolarHBondContact O-N 2.88Å; A424-L427 PolarHBondContact O-N 2.97Å; A424-W428 WeakPolarHBondContact O-CB 3.4Å; A424-W428 PolarHBondContact O-N 2.9Å; A424-W499 HydrophobicContact CB-CH2 3.7Å; A424-W499 HydrophobicContact CB-CZ3 3.98Å; A424-F502 HydrophobicContact CB-CE1 4.24Å; A424-N503 HydrophobicContact CB-CB 3.96Å; A424-N503 WeakPolarHBondContact CB-ND2 3.33Å; A424-W515 VanDerWaalsContact CB-CD1 3.42Å; A424-W515 HydrophobicContact CB-CD2 4.3Å; A424-W515 HydrophobicContact CB-CG 3.84Å
425T97.8Very high94.7Very high7 Ų735.4 Ų35.44%0.04319%0.19CC..Hα-helixtrans-60.5-43.1179.6-51.30000111T380 K383 V411 N421 A422 D429T380-T425 WeakPolarHBondContact O-CB 3.28Å; T380-T425 PolarHBondContact O-OG1 2.96Å; K383-T425 HydrophobicContact CG-CG2 4.4Å; V411-T425 HydrophobicContact CG2-CG2 3.96Å; N421-T425 PolarHBondContact O-N 2.84Å; N421-T425 PolarHBondContact O-OG1 2.96Å; A422-T425 PolarHBondContact O-N 3.2Å; T425-D429 VanDerWaalsContact O-CB 3.3Å; T425-D429 WeakPolarHBondContact O-CB 3.29Å; T425-D429 PolarHBondContact O-N 2.89Å
426I98.1Very high94.1Very high13 Ų1336.6 Ų36.67%0.06720%0.2CC..Hα-helixtrans-69.2-43.3178.3-64.9-50.7000112.2Q281 V282 P409 V411 A422 K423 A424 W428 D429 N430Q281-I426 HydrophobicContact CB-CB 4.45Å; Q281-I426 HydrophobicContact CB-CD1 3.94Å; Q281-I426 HydrophobicContact CB-CG1 3.94Å; Q281-I426 HydrophobicContact CB-CG2 3.64Å; Q281-I426 HydrophobicContact CG-CG2 4.34Å; Q281-I426 WeakPolarHBondContact O-CD1 3.15Å; Q281-I426 WeakPolarHBondContact O-CG1 3.44Å; V282-I426 HydrophobicContact CG2-CG1 4.07Å; P409-I426 WeakPolarHBondContact O-CD1 3.27Å; V411-I426 HydrophobicContact CG2-CD1 3.99Å; V411-I426 HydrophobicContact CG2-CG1 4.32Å; A422-I426 WeakPolarHBondContact O-CG1 3.41Å; A422-I426 PolarHBondContact O-N 2.83Å; A422-I426 VanDerWaalsContact O-N 3.11Å; K423-I426 PolarHBondContact O-N 2.93Å; A424-I426 VanDerWaalsContact C-N 3.32Å; A424-I426 PolarHBondContact O-N 2.88Å; I426-W428 PolarHBondContact O-N 3.26Å; I426-D429 PolarHBondContact O-N 3.24Å; I426-N430 VanDerWaalsContact O-CB 3.22Å; I426-N430 WeakPolarHBondContact O-CB 3.38Å; I426-N430 VanDerWaalsContact O-CG 3.31Å; I426-N430 PolarHBondContact O-N 3.42Å
427L98.1Very high93.9Very high5 Ų536.8 Ų36.83%0.02619%0.186CC..Hα-helixtrans-58.9-49.3177.3-177.677000110.7N213 K423 A424 A431 T454 K458 F502 W515N213-L427 HydrophobicContact CB-CD1 4.25Å; N213-L427 PolarHBondContact ND2-O 3Å; K423-L427 VanDerWaalsContact O-CB 3.25Å; K423-L427 WeakPolarHBondContact O-CB 3.44Å; K423-L427 PolarHBondContact O-N 3.06Å; A424-L427 PolarHBondContact O-N 2.97Å; L427-A431 WeakPolarHBondContact O-CB 3.47Å; L427-A431 PolarHBondContact O-N 2.88Å; L427-T454 HydrophobicContact CD1-CG2 3.87Å; L427-T454 HydrophobicContact CD2-CG2 4.31Å; L427-T454 HydrophobicContact CG-CG2 3.92Å; L427-K458 HydrophobicContact CD1-CB 3.9Å; L427-K458 HydrophobicContact CD1-CD 4.08Å; L427-K458 HydrophobicContact CD1-CG 3.81Å; L427-F502 HydrophobicContact CD2-CE1 4.45Å; L427-F502 HydrophobicContact CD2-CZ 3.87Å; L427-W515 HydrophobicContact CD2-CE3 4.05Å; L427-W515 HydrophobicContact CD2-CH2 3.81Å; L427-W515 HydrophobicContact CD2-CZ3 3.47Å; L427-W515 VanDerWaalsContact CD2-CZ3 3.47Å
428W98.1Very high93.8Very high7 Ų734.7 Ų34.73%0.02718%0.177CC..Hα-helixtrans-64.1-45.4-179.8-169.1-77.3000111.8A424 I426 A431 F432 A443 E444 V446 M451 V497 S498 W499 F502A424-W428 WeakPolarHBondContact O-CB 3.4Å; A424-W428 PolarHBondContact O-N 2.9Å; I426-W428 PolarHBondContact O-N 3.26Å; W428-A431 PolarHBondContact O-N 2.91Å; W428-F432 HydrophobicContact CB-CD2 4.43Å; W428-F432 AromaticContact CD1-CD2 3.97Å; W428-F432 AromaticContact CD2-CD2 3.78Å; W428-F432 HydrophobicContact CD2-CD2 3.78Å; W428-F432 AromaticContact CD2-CE2 3.93Å; W428-F432 HydrophobicContact CD2-CE2 3.93Å; W428-F432 AromaticContact CE2-CD2 3.9Å; W428-F432 HydrophobicContact CE3-CD2 4.34Å; W428-F432 HydrophobicContact CE3-CE2 4.01Å; W428-F432 AromaticContact CG-CD2 3.83Å; W428-F432 HydrophobicContact CG-CD2 3.83Å; W428-F432 HydrophobicContact CG-CE2 4.24Å; W428-F432 HydrophobicContact CZ3-CE2 4.48Å; W428-F432 AromaticContact NE1-CD2 4Å; W428-F432 WeakPolarHBondContact O-CD2 3.46Å; W428-F432 PolarHBondContact O-N 3.06Å; W428-A443 PolarHBondContact NE1-O 3.32Å; W428-E444 WeakPolarHBondContact CZ2-O 3.34Å; W428-V446 HydrophobicContact CH2-CG2 3.76Å; W428-V446 HydrophobicContact CZ2-CG1 3.98Å; W428-V446 HydrophobicContact CZ2-CG2 3.97Å; W428-V446 HydrophobicContact CZ3-CG2 4.36Å; W428-M451 HydrophobicContact CE3-CE 3.58Å; W428-M451 HydrophobicContact CH2-CE 4.16Å; W428-M451 HydrophobicContact CZ3-CE 3.28Å; W428-V497 HydrophobicContact CH2-CG1 4.45Å; W428-S498 VanDerWaalsContact CH2-C 3.41Å; W428-W499 HydrophobicContact CB-CE3 4.05Å; W428-W499 HydrophobicContact CB-CZ3 3.92Å; W428-W499 HydrophobicContact CD2-CB 4.49Å; W428-W499 AromaticContact CD2-CE3 3.71Å; W428-W499 HydrophobicContact CD2-CE3 3.71Å; W428-W499 HydrophobicContact CD2-CZ3 4.42Å; W428-W499 AromaticContact CE3-CE3 3.74Å; W428-W499 HydrophobicContact CE3-CE3 3.74Å; W428-W499 HydrophobicContact CE3-CZ3 4.38Å; W428-W499 AromaticContact CG-CE3 3.85Å; W428-W499 HydrophobicContact CG-CE3 3.85Å; W428-W499 HydrophobicContact CG-CZ3 4.25Å; W428-W499 HydrophobicContact CH2-CB 4.28Å; W428-W499 VanDerWaalsContact CH2-N 3.25Å; W428-W499 HydrophobicContact CZ2-CB 3.99Å; W428-W499 HydrophobicContact CZ3-CE3 4.46Å; W428-F502 HydrophobicContact CE3-CB 4.14Å; W428-F502 AromaticContact CE3-CD1 3.79Å; W428-F502 HydrophobicContact CE3-CD1 3.79Å; W428-F502 HydrophobicContact CE3-CE1 4.35Å; W428-F502 AromaticContact CE3-CG 3.92Å; W428-F502 HydrophobicContact CE3-CG 3.92Å; W428-F502 HydrophobicContact CZ3-CB 3.66Å; W428-F502 HydrophobicContact CZ3-CD1 4.17Å; W428-F502 HydrophobicContact CZ3-CD2 4.35Å; W428-F502 AromaticContact CZ3-CG 3.81Å; W428-F502 HydrophobicContact CZ3-CG 3.81Å
429D97.4Very high93.5Very high2 Ų234 Ų341%0.01118%0.176CC..Hα-helixtrans-61.9-52.6176-168.5-81.6000111.6Q209 K383 P409 T425 I426 A431 F432 S433 R437Q209-D429 PolarHBondContact NE2-OD1 2.97Å; K383-D429 IonicContact NZ-OD2 3.69Å; K383-D429 PolarHBondContact NZ-OD2 3.15Å; P409-D429 WeakPolarHBondContact CG-OD1 3.45Å; T425-D429 VanDerWaalsContact O-CB 3.3Å; T425-D429 WeakPolarHBondContact O-CB 3.29Å; T425-D429 PolarHBondContact O-N 2.89Å; I426-D429 PolarHBondContact O-N 3.24Å; D429-A431 VanDerWaalsContact C-N 3.28Å; D429-A431 PolarHBondContact O-N 2.77Å; D429-F432 PolarHBondContact O-N 2.96Å; D429-S433 WeakPolarHBondContact O-CB 3.37Å; D429-S433 PolarHBondContact O-N 2.99Å; D429-S433 PolarHBondContact O-OG 2.88Å; D429-S433 PolarHBondContact OD1-OG 3.32Å; D429-R437 IonicContact OD1-CZ 2.69Å; D429-R437 IonicContact OD1-NH1 2.69Å; D429-R437 PolarHBondContact OD1-NH1 3.44Å; D429-R437 IonicContact OD1-NH2 3.84Å; D429-R437 PolarHBondContact OD1-NH2 2.91Å; D429-R437 IonicContact OD2-CZ 2.85Å; D429-R437 IonicContact OD2-NH1 2.64Å; D429-R437 PolarHBondContact OD2-NH1 2.85Å; D429-R437 IonicContact OD2-NH2 3.72Å; D429-R437 PolarHBondContact OD2-NH2 3.46Å
430N96.7Very high93.3Very high0 Ų031.8 Ų31.80%016%0.164CC..Hα-helixtrans-60.7-36.3-180-77.4-10.6000112.7R206 Q209 N213 Q281 I426R206-N430 PolarHBondContact NH1-O 2.74Å; Q209-N430 HydrophobicContact CG-CB 4.04Å; Q209-N430 WeakPolarHBondContact CG-OD1 3.32Å; N213-N430 VanDerWaalsContact CG-CB 3.46Å; N213-N430 WeakPolarHBondContact ND2-CB 3.36Å; N213-N430 WeakPolarHBondContact OD1-CB 3.43Å; N213-N430 PolarHBondContact OD1-ND2 3.11Å; Q281-N430 PolarHBondContact NE2-OD1 3.17Å; Q281-N430 PolarHBondContact OE1-ND2 3.14Å; I426-N430 VanDerWaalsContact O-CB 3.22Å; I426-N430 WeakPolarHBondContact O-CB 3.38Å; I426-N430 VanDerWaalsContact O-CG 3.31Å; I426-N430 PolarHBondContact O-N 3.42Å
431A95.6Very high93.1Very high10 Ų1033.8 Ų33.88%0.08318%0.177CC..Hα-helixtrans-73.5-47.8179.500000111.9R206 N213 L427 W428 D429 T454R206-A431 PolarHBondContact NH2-O 2.83Å; N213-A431 PolarHBondContact ND2-N 3.26Å; L427-A431 WeakPolarHBondContact O-CB 3.47Å; L427-A431 PolarHBondContact O-N 2.88Å; W428-A431 PolarHBondContact O-N 2.91Å; D429-A431 VanDerWaalsContact C-N 3.28Å; D429-A431 PolarHBondContact O-N 2.77Å; A431-T454 HydrophobicContact CB-CG2 3.65Å
432F95.6Very high93Very high23 Ų2334 Ų3410%0.10118%0.179CC..Hα-helixtrans-11415.7-162.2-45.2-57.7000114.6W428 D429 V442 V446 K450 M451 T454W428-F432 HydrophobicContact CB-CD2 4.43Å; W428-F432 AromaticContact CD1-CD2 3.97Å; W428-F432 AromaticContact CD2-CD2 3.78Å; W428-F432 HydrophobicContact CD2-CD2 3.78Å; W428-F432 AromaticContact CD2-CE2 3.93Å; W428-F432 HydrophobicContact CD2-CE2 3.93Å; W428-F432 AromaticContact CE2-CD2 3.9Å; W428-F432 HydrophobicContact CE3-CD2 4.34Å; W428-F432 HydrophobicContact CE3-CE2 4.01Å; W428-F432 AromaticContact CG-CD2 3.83Å; W428-F432 HydrophobicContact CG-CD2 3.83Å; W428-F432 HydrophobicContact CG-CE2 4.24Å; W428-F432 HydrophobicContact CZ3-CE2 4.48Å; W428-F432 AromaticContact NE1-CD2 4Å; W428-F432 WeakPolarHBondContact O-CD2 3.46Å; W428-F432 PolarHBondContact O-N 3.06Å; D429-F432 PolarHBondContact O-N 2.96Å; F432-V442 HydrophobicContact CB-CG2 3.91Å; F432-V446 HydrophobicContact CB-CG1 3.86Å; F432-V446 HydrophobicContact CD1-CB 4.25Å; F432-V446 HydrophobicContact CD1-CG1 3.98Å; F432-V446 HydrophobicContact CD1-CG2 4.38Å; F432-V446 HydrophobicContact CD2-CG1 3.87Å; F432-V446 HydrophobicContact CD2-CG2 4.14Å; F432-V446 HydrophobicContact CE1-CB 4.4Å; F432-V446 HydrophobicContact CE1-CG2 4.13Å; F432-V446 HydrophobicContact CE2-CG1 4.46Å; F432-V446 HydrophobicContact CE2-CG2 3.89Å; F432-V446 HydrophobicContact CG-CB 4.32Å; F432-V446 HydrophobicContact CG-CG1 3.62Å; F432-V446 HydrophobicContact CG-CG2 4.4Å; F432-V446 HydrophobicContact CZ-CG2 3.89Å; F432-K450 HydrophobicContact CE1-CB 4.13Å; F432-M451 HydrophobicContact CE2-CE 3.62Å; F432-M451 HydrophobicContact CZ-CE 3.77Å; F432-M451 HydrophobicContact CZ-SD 4.29Å; F432-T454 HydrophobicContact CZ-CG2 4.32Å
433S92.9Very high92.9Very high1 Ų136.2 Ų36.21%0.00720%0.198CC..  trans-67128.5167.5-69.10000112.3R206 Q209 D429 R437R206-S433 PolarHBondContact NE-O 2.88Å; R206-S433 PolarHBondContact NH2-O 3.36Å; Q209-S433 PolarHBondContact NE2-OG 2.69Å; D429-S433 WeakPolarHBondContact O-CB 3.37Å; D429-S433 PolarHBondContact O-N 2.99Å; D429-S433 PolarHBondContact O-OG 2.88Å; D429-S433 PolarHBondContact OD1-OG 3.32Å; S433-R437 PolarHBondContact OG-NE 2.88Å; S433-R437 PolarHBondContact OG-NH1 2.72Å; S433-R437 VanDerWaalsContact OG-NH1 3.16Å; S433-R437 PolarHBondContact OG-NH2 2.62Å
434E88.2Confident92.7Very high148 Ų14840.2 Ų40.269%0.69222%0.218SC*.  trans-72.7151.5158-64.2-54.3147.900110.9R437E434-R437 HydrophobicContact CB-CB 4.48Å; E434-R437 VanDerWaalsContact O-CG 3.25Å; E434-R437 WeakPolarHBondContact O-CG 3.23Å
435V78.9Confident92.7Very high47 Ų4747.4 Ų47.429%0.28525%0.245SC..THydrogen-bonded Turntrans-70-51.1-170.21780000112Q202 R206 R437 L813Q202-V435 HydrophobicContact CB-CG1 3.87Å; R206-V435 HydrophobicContact CB-CG2 4.21Å; R206-V435 HydrophobicContact CG-CG2 3.97Å; V435-R437 VanDerWaalsContact C-N 3.27Å; V435-R437 PolarHBondContact O-N 2.84Å; V435-L813 HydrophobicContact CG2-CD1 4.23Å
436D80.4Confident92.6Very high138 Ų13847.4 Ų47.474%0.73825%0.245SC*.THydrogen-bonded Turntrans-95.734.6-176.1-55.7-60.6000112Q202Q202-D436 PolarHBondContact NE2-OD1 2.72Å
437R87.7Confident92.6Very high50 Ų5049.5 Ų49.519%0.18926%0.259CS..PPolyproline II helixtrans-71.6155.3-179.567172.2174.1162.1-3.8112.8D429 S433 E434 V435 P439 F440 V441D429-R437 IonicContact OD1-CZ 2.69Å; D429-R437 IonicContact OD1-NH1 2.69Å; D429-R437 PolarHBondContact OD1-NH1 3.44Å; D429-R437 IonicContact OD1-NH2 3.84Å; D429-R437 PolarHBondContact OD1-NH2 2.91Å; D429-R437 IonicContact OD2-CZ 2.85Å; D429-R437 IonicContact OD2-NH1 2.64Å; D429-R437 PolarHBondContact OD2-NH1 2.85Å; D429-R437 IonicContact OD2-NH2 3.72Å; D429-R437 PolarHBondContact OD2-NH2 3.46Å; S433-R437 PolarHBondContact OG-NE 2.88Å; S433-R437 PolarHBondContact OG-NH1 2.72Å; S433-R437 VanDerWaalsContact OG-NH1 3.16Å; S433-R437 PolarHBondContact OG-NH2 2.62Å; E434-R437 HydrophobicContact CB-CB 4.48Å; E434-R437 VanDerWaalsContact O-CG 3.25Å; E434-R437 WeakPolarHBondContact O-CG 3.23Å; V435-R437 VanDerWaalsContact C-N 3.27Å; V435-R437 PolarHBondContact O-N 2.84Å; R437-P439 WeakPolarHBondContact O-CD 3.48Å; R437-F440 VanDerWaalsContact NH1-C 3.26Å; R437-F440 PolarHBondContact NH1-O 3.34Å; R437-V441 WeakPolarHBondContact CD-O 3.21Å; R437-V441 PolarHBondContact NH1-O 3.32Å
438V87.9Confident92.4Very high73 Ų7349.8 Ų49.844%0.44226%0.26SS..SBendtrans-67125.2159.4177.60000108.9R322 F440 V441R322-V438 HydrophobicContact CB-CG1 4.43Å; R322-V438 HydrophobicContact CG-CG1 3.79Å; V438-F440 PolarHBondContact O-N 3.25Å; V438-V441 HydrophobicContact CB-CG2 4.33Å; V438-V441 WeakPolarHBondContact O-CG2 3.22Å; V438-V441 PolarHBondContact O-N 2.94Å
439P88.9Confident92.2Very high22 Ų2254.6 Ų54.614%0.14328%0.283CS..THydrogen-bonded Turntrans-56.5130.4177.9-27.236000111.9A321 R322 R437A321-P439 HydrophobicContact CB-CB 3.79Å; A321-P439 HydrophobicContact CB-CG 4.49Å; R322-P439 WeakPolarHBondContact CG-O 3.41Å; R322-P439 VanDerWaalsContact CZ-O 3.3Å; R322-P439 PolarHBondContact NE-O 2.82Å; R437-P439 WeakPolarHBondContact O-CD 3.48Å
440F91.2Very high92Very high8 Ų859.1 Ų59.14%0.03530%0.302CS..THydrogen-bonded Turncis-119.453.9-12.1-59.9-71.5000108.5E318 A321 K383 A385 L406 P409 R437 V438E318-F440 HydrophobicContact CB-CD2 3.88Å; E318-F440 HydrophobicContact CB-CE2 4.36Å; E318-F440 VanDerWaalsContact CD-N 3.34Å; E318-F440 HydrophobicContact CG-CB 4.47Å; E318-F440 HydrophobicContact CG-CD2 3.79Å; E318-F440 PolarHBondContact OE1-N 3.12Å; A321-F440 HydrophobicContact CB-CE2 3.88Å; A321-F440 HydrophobicContact CB-CZ 3.96Å; K383-F440 HydrophobicContact CB-CD2 3.95Å; K383-F440 HydrophobicContact CD-CB 3.56Å; K383-F440 HydrophobicContact CD-CG 4.35Å; K383-F440 PolarHBondContact NZ-O 3.21Å; A385-F440 HydrophobicContact CB-CE2 4.2Å; A385-F440 HydrophobicContact CB-CZ 3.61Å; L406-F440 HydrophobicContact CD2-CE1 4Å; L406-F440 HydrophobicContact CD2-CZ 3.77Å; L406-F440 HydrophobicContact CG-CZ 4.43Å; P409-F440 HydrophobicContact CB-CB 4.34Å; P409-F440 HydrophobicContact CB-CD1 3.7Å; P409-F440 HydrophobicContact CB-CD2 4.08Å; P409-F440 HydrophobicContact CB-CE1 3.93Å; P409-F440 HydrophobicContact CB-CE2 4.3Å; P409-F440 HydrophobicContact CB-CG 3.79Å; P409-F440 HydrophobicContact CB-CZ 4.24Å; P409-F440 HydrophobicContact CG-CB 4.5Å; P409-F440 HydrophobicContact CG-CD1 3.76Å; P409-F440 HydrophobicContact CG-CE1 4.18Å; P409-F440 HydrophobicContact CG-CG 4.18Å; R437-F440 VanDerWaalsContact NH1-C 3.26Å; R437-F440 PolarHBondContact NH1-O 3.34Å; V438-F440 PolarHBondContact O-N 3.25Å
441V91.6Very high92Very high71 Ų7159.1 Ų59.143%0.4330%0.303SS..  trans-57.6138.8177179.50000109.9R322 R437 V438R322-V441 VanDerWaalsContact NH2-CG2 3.26Å; R437-V441 WeakPolarHBondContact CD-O 3.21Å; R437-V441 PolarHBondContact NH1-O 3.32Å; V438-V441 HydrophobicContact CB-CG2 4.33Å; V438-V441 WeakPolarHBondContact O-CG2 3.22Å; V438-V441 PolarHBondContact O-N 2.94Å
442V95.1Very high92.1Very high40 Ų4059.3 Ų59.324%0.24230%0.303CS..  trans-144150.5173.565.60000108.1F432 E444F432-V442 HydrophobicContact CB-CG2 3.91Å; V442-E444 PolarHBondContact O-N 3.23Å
443A94.2Very high92Very high48 Ų4862.6 Ų62.640%0.39732%0.319SS..  trans-62135.8179.600000111.4W428 R445 V446W428-A443 PolarHBondContact NE1-O 3.32Å; A443-R445 VanDerWaalsContact C-N 3.3Å; A443-V446 HydrophobicContact CB-CG1 4.15Å
444E95.1Very high92.2Very high132 Ų13263.2 Ų63.262%0.61732%0.323SS*.SBendtrans-72.2-26175.5-170.1-172.416900112.1W428 V442 S498 W499W428-E444 WeakPolarHBondContact CZ2-O 3.34Å; V442-E444 PolarHBondContact O-N 3.23Å; E444-S498 CarbonylContact O-C 3.55Å; E444-S498 VanDerWaalsContact O-CA 3.28Å; E444-S498 WeakPolarHBondContact O-CA 3.28Å; E444-W499 PolarHBondContact O-N 2.84Å
445R97.1Very high92.6Very high150 Ų15056.2 Ų56.257%0.56629%0.29SS*.EExtended strand (participates in β ladder)trans-131.4139.5179.8-70.9175.4-179.3-98.7-1.3110.5A443 C496 V497A443-R445 VanDerWaalsContact C-N 3.3Å; R445-C496 HydrophobicContact CB-CB 4.44Å; R445-V497 CarbonylContact C-O 3.6Å; R445-V497 VanDerWaalsContact CA-O 3.27Å; R445-V497 WeakPolarHBondContact CA-O 3.24Å
446V96.6Very high93.5Very high7 Ų755.6 Ų55.64%0.04229%0.285CS..EExtended strand (participates in β ladder)trans-138.5151.2-178-59.10000111.6W428 F432 A443 M451 C496 V497W428-V446 HydrophobicContact CH2-CG2 3.76Å; W428-V446 HydrophobicContact CZ2-CG1 3.98Å; W428-V446 HydrophobicContact CZ2-CG2 3.97Å; W428-V446 HydrophobicContact CZ3-CG2 4.36Å; F432-V446 HydrophobicContact CB-CG1 3.86Å; F432-V446 HydrophobicContact CD1-CB 4.25Å; F432-V446 HydrophobicContact CD1-CG1 3.98Å; F432-V446 HydrophobicContact CD1-CG2 4.38Å; F432-V446 HydrophobicContact CD2-CG1 3.87Å; F432-V446 HydrophobicContact CD2-CG2 4.14Å; F432-V446 HydrophobicContact CE1-CB 4.4Å; F432-V446 HydrophobicContact CE1-CG2 4.13Å; F432-V446 HydrophobicContact CE2-CG1 4.46Å; F432-V446 HydrophobicContact CE2-CG2 3.89Å; F432-V446 HydrophobicContact CG-CB 4.32Å; F432-V446 HydrophobicContact CG-CG1 3.62Å; F432-V446 HydrophobicContact CG-CG2 4.4Å; F432-V446 HydrophobicContact CZ-CG2 3.89Å; A443-V446 HydrophobicContact CB-CG1 4.15Å; V446-M451 HydrophobicContact CG2-CE 4.23Å; V446-C496 CarbonylContact O-C 3.54Å; V446-C496 WeakPolarHBondContact O-CA 3.4Å; V446-C496 WeakPolarHBondContact O-CB 3.33Å; V446-V497 HydrophobicContact CG2-CG1 3.77Å; V446-V497 PolarHBondContact N-O 3.2Å; V446-V497 PolarHBondContact O-N 3.31Å
447P96.3Very high94.2Very high58 Ų5850.5 Ų50.538%0.37726%0.258SS..EExtended strand (participates in β ladder)trans-57.1138.5175.8-25.135.1000112.3E449 K450 M451P447-E449 PolarHBondContact O-N 3.49Å; P447-K450 PolarHBondContact O-N 2.83Å; P447-M451 PolarHBondContact O-N 3.38Å
448W95.6Very high94.6Very high11 Ų1149.4 Ų49.44%0.04225%0.254CS..Hα-helixtrans-61.5-32.6-179.2177.5-119.2000112.9M451 C452 L455 L477 A478 I481 F482 R495 V497W448-M451 HydrophobicContact CE3-CB 3.91Å; W448-M451 HydrophobicContact CE3-CG 3.88Å; W448-M451 HydrophobicContact CZ3-CB 4.16Å; W448-M451 HydrophobicContact CZ3-CG 3.61Å; W448-M451 CarbonylContact O-C 3.57Å; W448-M451 WeakPolarHBondContact O-CB 3.25Å; W448-M451 PolarHBondContact O-N 2.95Å; W448-C452 VanDerWaalsContact CZ2-SG 3.6Å; W448-C452 PolarHBondContact NE1-SG 2.96Å; W448-C452 VanDerWaalsContact NE1-SG 3.41Å; W448-C452 PolarHBondContact O-N 3Å; W448-C452 PolarHBondContact O-SG 3.43Å; W448-L455 HydrophobicContact CH2-CD1 4.23Å; W448-L455 HydrophobicContact CZ3-CD1 4.46Å; W448-L477 HydrophobicContact CH2-CB 4.01Å; W448-L477 HydrophobicContact CZ2-CB 3.97Å; W448-A478 HydrophobicContact CZ2-CB 3.82Å; W448-I481 HydrophobicContact CE3-CG2 4.27Å; W448-I481 HydrophobicContact CH2-CG2 3.93Å; W448-I481 HydrophobicContact CZ3-CD1 4.09Å; W448-I481 HydrophobicContact CZ3-CG2 3.78Å; W448-F482 HydrophobicContact CB-CE2 4.28Å; W448-F482 HydrophobicContact CB-CZ 4.17Å; W448-F482 AromaticContact CD2-CE2 3.88Å; W448-F482 HydrophobicContact CD2-CE2 3.88Å; W448-F482 HydrophobicContact CD2-CZ 4.24Å; W448-F482 HydrophobicContact CE3-CE2 4.18Å; W448-F482 HydrophobicContact CE3-CZ 4.24Å; W448-F482 AromaticContact CG-CE2 3.89Å; W448-F482 HydrophobicContact CG-CE2 3.89Å; W448-F482 HydrophobicContact CG-CZ 4.21Å; W448-R495 WeakPolarHBondContact CB-O 3.38Å; W448-R495 PolarHBondContact N-O 3.2Å; W448-V497 HydrophobicContact CE3-CB 4.36Å; W448-V497 HydrophobicContact CE3-CG1 4.16Å
449E93.2Very high95Very high108 Ų10845.9 Ų45.951%0.50523%0.233SC..Hα-helixtrans-57-52.3173.5-171.4168.1-130.300112P447 M451 C452 E453P447-E449 PolarHBondContact O-N 3.49Å; E449-M451 VanDerWaalsContact C-N 3.26Å; E449-M451 PolarHBondContact O-N 3.18Å; E449-C452 WeakPolarHBondContact O-CA 3.09Å; E449-C452 WeakPolarHBondContact O-CB 3.46Å; E449-C452 PolarHBondContact O-N 3.34Å; E449-E453 PolarHBondContact O-N 3.32Å
450K93.8Very high95.4Very high96 Ų9647.1 Ų47.142%0.41724%0.237SC..Hα-helixtrans-64.7-27.7176-66.5-168.5171.9-171.20113.2F432 P447 T454F432-K450 HydrophobicContact CE1-CB 4.13Å; P447-K450 PolarHBondContact O-N 2.83Å; K450-T454 WeakPolarHBondContact O-CB 3.22Å; K450-T454 PolarHBondContact O-N 2.9Å; K450-T454 VanDerWaalsContact O-N 3.14Å; K450-T454 PolarHBondContact O-OG1 2.9Å
451M96.9Very high95.6Very high1 Ų149.1 Ų49.11%0.00526%0.255CS..Hα-helixtrans-71.2-40.6170.2-179.458.472.300111.7W428 F432 V446 P447 W448 E449 T454 L455 V497 F502W428-M451 HydrophobicContact CE3-CE 3.58Å; W428-M451 HydrophobicContact CH2-CE 4.16Å; W428-M451 HydrophobicContact CZ3-CE 3.28Å; F432-M451 HydrophobicContact CE2-CE 3.62Å; F432-M451 HydrophobicContact CZ-CE 3.77Å; F432-M451 HydrophobicContact CZ-SD 4.29Å; V446-M451 HydrophobicContact CG2-CE 4.23Å; P447-M451 PolarHBondContact O-N 3.38Å; W448-M451 HydrophobicContact CE3-CB 3.91Å; W448-M451 HydrophobicContact CE3-CG 3.88Å; W448-M451 HydrophobicContact CZ3-CB 4.16Å; W448-M451 HydrophobicContact CZ3-CG 3.61Å; W448-M451 CarbonylContact O-C 3.57Å; W448-M451 WeakPolarHBondContact O-CB 3.25Å; W448-M451 PolarHBondContact O-N 2.95Å; E449-M451 VanDerWaalsContact C-N 3.26Å; E449-M451 PolarHBondContact O-N 3.18Å; M451-T454 PolarHBondContact O-N 3.19Å; M451-L455 HydrophobicContact CG-CD1 3.85Å; M451-L455 HydrophobicContact CG-CG 4.19Å; M451-L455 WeakPolarHBondContact O-CB 3.17Å; M451-L455 VanDerWaalsContact O-CG 3.29Å; M451-L455 WeakPolarHBondContact O-CG 3.3Å; M451-L455 PolarHBondContact O-N 3.01Å; M451-L455 HydrophobicContact SD-CD1 4.1Å; M451-L455 HydrophobicContact SD-CD2 4.34Å; M451-L455 HydrophobicContact SD-CG 3.87Å; M451-V497 HydrophobicContact CB-CG1 3.91Å; M451-V497 HydrophobicContact CE-CG1 4.09Å; M451-V497 HydrophobicContact CG-CG1 4.1Å; M451-F502 HydrophobicContact CE-CD2 3.83Å; M451-F502 HydrophobicContact CE-CE2 3.9Å; M451-F502 HydrophobicContact CE-CG 4.37Å; M451-F502 HydrophobicContact SD-CD2 4.14Å; M451-F502 HydrophobicContact SD-CE2 3.72Å; M451-F502 HydrophobicContact SD-CZ 4.42Å
452C96Very high95.7Very high14 Ų1447.6 Ų47.610%0.09524%0.244CC..Hα-helixtrans-60.5-45.8175.6-69.60000111.7W448 E449 T454 L455 N456 F474W448-C452 VanDerWaalsContact CZ2-SG 3.6Å; W448-C452 PolarHBondContact NE1-SG 2.96Å; W448-C452 VanDerWaalsContact NE1-SG 3.41Å; W448-C452 PolarHBondContact O-N 3Å; W448-C452 PolarHBondContact O-SG 3.43Å; E449-C452 WeakPolarHBondContact O-CA 3.09Å; E449-C452 WeakPolarHBondContact O-CB 3.46Å; E449-C452 PolarHBondContact O-N 3.34Å; C452-T454 PolarHBondContact O-N 2.97Å; C452-L455 PolarHBondContact O-N 2.99Å; C452-N456 VanDerWaalsContact O-CB 3.25Å; C452-N456 WeakPolarHBondContact O-CB 3.04Å; C452-N456 PolarHBondContact O-N 3.4Å; C452-F474 HydrophobicContact CB-CD1 3.53Å; C452-F474 HydrophobicContact CB-CE1 3.57Å; C452-F474 HydrophobicContact CB-CG 4.15Å; C452-F474 HydrophobicContact CB-CZ 4.21Å; C452-F474 WeakPolarHBondContact O-CE1 3.48Å; C452-F474 VanDerWaalsContact SG-CD1 3.55Å
453E94.3Very high95.7Very high92 Ų9245.9 Ų45.943%0.4323%0.233SC..Hα-helixtrans-55.1-51.1172.2-67169.4170.300111.5E449 L455 N456 L457E449-E453 PolarHBondContact O-N 3.32Å; E453-L455 PolarHBondContact O-N 3.49Å; E453-N456 PolarHBondContact O-N 3.23Å; E453-L457 WeakPolarHBondContact O-CG 3.43Å; E453-L457 PolarHBondContact O-N 2.98Å
454T96.3Very high95.8Very high14 Ų1445.1 Ų45.19%0.08623%0.23CC..Hα-helixtrans-60.4-46.8-179.6-62.10000112.1L427 A431 F432 K450 M451 C452 N456 K458L427-T454 HydrophobicContact CD1-CG2 3.87Å; L427-T454 HydrophobicContact CD2-CG2 4.31Å; L427-T454 HydrophobicContact CG-CG2 3.92Å; A431-T454 HydrophobicContact CB-CG2 3.65Å; F432-T454 HydrophobicContact CZ-CG2 4.32Å; K450-T454 WeakPolarHBondContact O-CB 3.22Å; K450-T454 PolarHBondContact O-N 2.9Å; K450-T454 VanDerWaalsContact O-N 3.14Å; K450-T454 PolarHBondContact O-OG1 2.9Å; M451-T454 PolarHBondContact O-N 3.19Å; C452-T454 PolarHBondContact O-N 2.97Å; T454-N456 VanDerWaalsContact C-N 3.33Å; T454-N456 PolarHBondContact O-N 2.78Å; T454-K458 VanDerWaalsContact O-CB 3.27Å; T454-K458 WeakPolarHBondContact O-CB 3.29Å; T454-K458 PolarHBondContact O-N 2.92Å
455L97.4Very high95.8Very high0 Ų039.5 Ų39.50%020%0.204CC..Hα-helixtrans-64.1-37.5177.3-71.4171.6000111.7W448 M451 C452 E453 F459 F502 F514 W515 F518W448-L455 HydrophobicContact CH2-CD1 4.23Å; W448-L455 HydrophobicContact CZ3-CD1 4.46Å; M451-L455 HydrophobicContact CG-CD1 3.85Å; M451-L455 HydrophobicContact CG-CG 4.19Å; M451-L455 WeakPolarHBondContact O-CB 3.17Å; M451-L455 VanDerWaalsContact O-CG 3.29Å; M451-L455 WeakPolarHBondContact O-CG 3.3Å; M451-L455 PolarHBondContact O-N 3.01Å; M451-L455 HydrophobicContact SD-CD1 4.1Å; M451-L455 HydrophobicContact SD-CD2 4.34Å; M451-L455 HydrophobicContact SD-CG 3.87Å; C452-L455 PolarHBondContact O-N 2.99Å; E453-L455 PolarHBondContact O-N 3.49Å; L455-F459 WeakPolarHBondContact O-CB 3.34Å; L455-F459 PolarHBondContact O-N 2.86Å; L455-F502 HydrophobicContact CD2-CE2 4.24Å; L455-F514 HydrophobicContact CD1-CE1 4.11Å; L455-F514 HydrophobicContact CD1-CZ 4.13Å; L455-F514 HydrophobicContact CD2-CE1 4.43Å; L455-W515 HydrophobicContact CD2-CZ3 4.5Å; L455-F518 HydrophobicContact CB-CE1 4.4Å; L455-F518 HydrophobicContact CB-CZ 4.05Å; L455-F518 HydrophobicContact CD2-CD1 3.81Å; L455-F518 HydrophobicContact CD2-CE1 3.59Å; L455-F518 HydrophobicContact CD2-CE2 4.44Å; L455-F518 HydrophobicContact CD2-CG 4.33Å; L455-F518 HydrophobicContact CD2-CZ 3.93Å
456N97.3Very high95.5Very high35 Ų3537.7 Ų37.719%0.18722%0.215CC..Hα-helixtrans-69.4-47.9178.4-173.738.2000112.4C452 E453 T454 K458 F459 M460 G468 L469 F474C452-N456 VanDerWaalsContact O-CB 3.25Å; C452-N456 WeakPolarHBondContact O-CB 3.04Å; C452-N456 PolarHBondContact O-N 3.4Å; E453-N456 PolarHBondContact O-N 3.23Å; T454-N456 VanDerWaalsContact C-N 3.33Å; T454-N456 PolarHBondContact O-N 2.78Å; N456-K458 VanDerWaalsContact C-N 3.35Å; N456-K458 PolarHBondContact O-N 2.77Å; N456-F459 PolarHBondContact O-N 3.45Å; N456-M460 WeakPolarHBondContact O-CG 3.26Å; N456-M460 PolarHBondContact O-N 3.37Å; N456-G468 WeakPolarHBondContact OD1-CA 3.4Å; N456-L469 HydrophobicContact CB-CD1 4.37Å; N456-L469 PolarHBondContact OD1-N 3.01Å; N456-F474 HydrophobicContact CB-CE1 4.29Å; N456-F474 HydrophobicContact CB-CZ 3.95Å
457L95.3Very high95.3Very high31 Ų3143.7 Ų43.716%0.16224%0.237CC..Hα-helixtrans-57.9-48.5174.8-73168.9000110.6E453 F459 M460 A461E453-L457 WeakPolarHBondContact O-CG 3.43Å; E453-L457 PolarHBondContact O-N 2.98Å; L457-F459 VanDerWaalsContact C-N 3.34Å; L457-F459 PolarHBondContact O-N 3.4Å; L457-M460 HydrophobicContact CD2-CE 4.26Å; L457-M460 PolarHBondContact O-N 2.8Å; L457-A461 WeakPolarHBondContact O-CB 3.28Å; L457-A461 PolarHBondContact O-N 2.84Å
458K95.9Very high95.3Very high26 Ų2641.4 Ų41.411%0.11322%0.224CC..Hα-helixtrans-62.4-40.2177.3-175.555.1169.7170.70112.1L427 T454 N456 E462 W515 L522L427-K458 HydrophobicContact CD1-CB 3.9Å; L427-K458 HydrophobicContact CD1-CD 4.08Å; L427-K458 HydrophobicContact CD1-CG 3.81Å; T454-K458 VanDerWaalsContact O-CB 3.27Å; T454-K458 WeakPolarHBondContact O-CB 3.29Å; T454-K458 PolarHBondContact O-N 2.92Å; N456-K458 VanDerWaalsContact C-N 3.35Å; N456-K458 PolarHBondContact O-N 2.77Å; K458-E462 HydrophobicContact CD-CB 4.5Å; K458-E462 WeakPolarHBondContact CE-OE2 3.5Å; K458-E462 IonicContact NZ-OE2 2.62Å; K458-E462 PolarHBondContact NZ-OE2 3.41Å; K458-E462 WeakPolarHBondContact O-CB 3.13Å; K458-E462 PolarHBondContact O-N 2.66Å; K458-W515 HydrophobicContact CG-CH2 4.45Å; K458-L522 HydrophobicContact CG-CD1 4.1Å
459F97.4Very high95.3Very high0 Ų041.4 Ų41.40%023%0.225CC..Hα-helixtrans-61.9-52.2175.9-172.1-72000111.6L455 N456 L457 A461 V463 T465 L469 F518 L522 T525 W533 F541L455-F459 WeakPolarHBondContact O-CB 3.34Å; L455-F459 PolarHBondContact O-N 2.86Å; N456-F459 PolarHBondContact O-N 3.45Å; L457-F459 VanDerWaalsContact C-N 3.34Å; L457-F459 PolarHBondContact O-N 3.4Å; F459-A461 VanDerWaalsContact C-N 3.33Å; F459-A461 PolarHBondContact O-N 3.49Å; F459-V463 HydrophobicContact CD1-CG2 4.15Å; F459-V463 HydrophobicContact CE1-CB 4.3Å; F459-V463 HydrophobicContact CE1-CG1 4.48Å; F459-V463 HydrophobicContact CE1-CG2 3.91Å; F459-V463 HydrophobicContact CZ-CG2 4.12Å; F459-V463 VanDerWaalsContact O-CB 3.28Å; F459-V463 WeakPolarHBondContact O-CB 3.42Å; F459-V463 WeakPolarHBondContact O-CG2 3.36Å; F459-V463 PolarHBondContact O-N 2.98Å; F459-T465 HydrophobicContact CD1-CG2 4.48Å; F459-T465 HydrophobicContact CE1-CG2 4.3Å; F459-L469 HydrophobicContact CD2-CD2 4.03Å; F459-L469 HydrophobicContact CE2-CD2 4.29Å; F459-L469 HydrophobicContact CG-CD2 4.27Å; F459-F518 HydrophobicContact CB-CZ 4.48Å; F459-F518 HydrophobicContact CD2-CZ 4.14Å; F459-L522 HydrophobicContact CB-CD2 3.88Å; F459-L522 HydrophobicContact CD2-CD2 3.33Å; F459-L522 HydrophobicContact CE2-CD2 4.03Å; F459-L522 HydrophobicContact CG-CD2 3.79Å; F459-T525 HydrophobicContact CZ-CG2 4.12Å; F459-W533 HydrophobicContact CD1-CZ2 4.48Å; F459-W533 AromaticContact CE1-CD1 3.97Å; F459-W533 AromaticContact CE1-CD2 3.99Å; F459-W533 HydrophobicContact CE1-CD2 3.99Å; F459-W533 AromaticContact CE1-CE2 3.39Å; F459-W533 HydrophobicContact CE1-CG 4.32Å; F459-W533 HydrophobicContact CE1-CH2 4.44Å; F459-W533 AromaticContact CE1-CZ2 3.66Å; F459-W533 HydrophobicContact CE1-CZ2 3.66Å; F459-W533 AromaticContact CE1-NE1 3.39Å; F459-W533 HydrophobicContact CE2-CZ2 4.48Å; F459-W533 AromaticContact CZ-CD2 3.81Å; F459-W533 HydrophobicContact CZ-CD2 3.81Å; F459-W533 AromaticContact CZ-CE2 3.56Å; F459-W533 HydrophobicContact CZ-CE3 4.13Å; F459-W533 HydrophobicContact CZ-CG 4.41Å; F459-W533 AromaticContact CZ-CH2 3.98Å; F459-W533 HydrophobicContact CZ-CH2 3.98Å; F459-W533 AromaticContact CZ-CZ2 3.65Å; F459-W533 HydrophobicContact CZ-CZ2 3.65Å; F459-W533 HydrophobicContact CZ-CZ3 4.21Å; F459-F541 HydrophobicContact CD2-CE2 4.4Å; F459-F541 HydrophobicContact CD2-CZ 4.32Å; F459-F541 AromaticContact CE2-CE2 3.81Å; F459-F541 HydrophobicContact CE2-CE2 3.81Å; F459-F541 AromaticContact CE2-CZ 3.9Å; F459-F541 HydrophobicContact CE2-CZ 3.9Å; F459-F541 HydrophobicContact CZ-CE2 4.48Å
460M96.3Very high95.4Very high48 Ų4838.8 Ų38.824%0.23621%0.214CC..Hα-helixtrans-59.7-42.8-179-72.6-173.8-64.100112N456 L457 G464 T465 G468N456-M460 WeakPolarHBondContact O-CG 3.26Å; N456-M460 PolarHBondContact O-N 3.37Å; L457-M460 HydrophobicContact CD2-CE 4.26Å; L457-M460 PolarHBondContact O-N 2.8Å; M460-G464 CarbonylContact O-C 3.48Å; M460-G464 VanDerWaalsContact O-CA 3.25Å; M460-G464 WeakPolarHBondContact O-CA 3.17Å; M460-G464 PolarHBondContact O-N 2.93Å; M460-T465 WeakPolarHBondContact CB-O 3.5Å; M460-T465 PolarHBondContact O-N 3.13Å; M460-G468 VanDerWaalsContact SD-CA 3.56Å
461A95.1Very high95.3Very high50 Ų5038.3 Ų38.341%0.41322%0.221SC..Hα-helixtrans-72.6-46.1179.600000113.4G214 L457 F459 G464G214-A461 VanDerWaalsContact CA-CB 3.47Å; L457-A461 WeakPolarHBondContact O-CB 3.28Å; L457-A461 PolarHBondContact O-N 2.84Å; F459-A461 VanDerWaalsContact C-N 3.33Å; F459-A461 PolarHBondContact O-N 3.49Å; A461-G464 PolarHBondContact O-N 2.68Å
462E94.8Very high95.1Very high39 Ų3943 Ų4318%0.18224%0.242CC..Hα-helixtrans-70-37.1-176.2-165.466-130.600112K458 L522 K526K458-E462 HydrophobicContact CD-CB 4.5Å; K458-E462 WeakPolarHBondContact CE-OE2 3.5Å; K458-E462 IonicContact NZ-OE2 2.62Å; K458-E462 PolarHBondContact NZ-OE2 3.41Å; K458-E462 WeakPolarHBondContact O-CB 3.13Å; K458-E462 PolarHBondContact O-N 2.66Å; E462-L522 HydrophobicContact CB-CD1 4.29Å; E462-L522 HydrophobicContact CG-CB 4.26Å; E462-L522 HydrophobicContact CG-CD1 4.26Å; E462-K526 HydrophobicContact CG-CD 4.37Å; E462-K526 WeakPolarHBondContact O-CD 3.34Å; E462-K526 VanDerWaalsContact O-CE 3.27Å; E462-K526 WeakPolarHBondContact O-CE 3.42Å; E462-K526 VanDerWaalsContact O-CG 3.26Å; E462-K526 WeakPolarHBondContact O-CG 3.27Å; E462-K526 IonicContact OE1-NZ 3.04Å; E462-K526 PolarHBondContact OE1-NZ 3.34Å
463V96Very high95.1Very high4 Ų442.5 Ų42.52%0.02424%0.239CC..Hα-helixtrans-81-21.4173.9177.70000111.8F459 T465 L522 T525 R530F459-V463 HydrophobicContact CD1-CG2 4.15Å; F459-V463 HydrophobicContact CE1-CB 4.3Å; F459-V463 HydrophobicContact CE1-CG1 4.48Å; F459-V463 HydrophobicContact CE1-CG2 3.91Å; F459-V463 HydrophobicContact CZ-CG2 4.12Å; F459-V463 VanDerWaalsContact O-CB 3.28Å; F459-V463 WeakPolarHBondContact O-CB 3.42Å; F459-V463 WeakPolarHBondContact O-CG2 3.36Å; F459-V463 PolarHBondContact O-N 2.98Å; V463-T465 HydrophobicContact CB-CG2 4.14Å; V463-T465 HydrophobicContact CG1-CG2 3.9Å; V463-L522 HydrophobicContact CG2-CD2 4.37Å; V463-T525 HydrophobicContact CG1-CG2 3.69Å; V463-T525 HydrophobicContact CG2-CG2 3.91Å; V463-R530 HydrophobicContact CG1-CB 4.24Å; V463-R530 HydrophobicContact CG1-CG 4.12Å; V463-R530 WeakPolarHBondContact O-CD 3.49Å; V463-R530 WeakPolarHBondContact O-CG 3.31Å; V463-R530 PolarHBondContact O-NE 3.23Å; V463-R530 VanDerWaalsContact O-NE 3.17Å
464G95.3Very high95.1Very high32 Ų3240.1 Ų40.133%0.3323%0.227SC..THydrogen-bonded Turntrans67.451.1-176.500000112.6M460 A461 R530M460-G464 CarbonylContact O-C 3.48Å; M460-G464 VanDerWaalsContact O-CA 3.25Å; M460-G464 WeakPolarHBondContact O-CA 3.17Å; M460-G464 PolarHBondContact O-N 2.93Å; A461-G464 PolarHBondContact O-N 2.68Å; G464-R530 VanDerWaalsContact O-CZ 3.24Å; G464-R530 PolarHBondContact O-NE 3.44Å; G464-R530 PolarHBondContact O-NH2 3.37Å
465T94.1Very high95Very high13 Ų1341.1 Ų41.18%0.0823%0.232CC..  trans-131.6144.2-178.3-174.50000111.8F459 M460 V463 R467 S534F459-T465 HydrophobicContact CD1-CG2 4.48Å; F459-T465 HydrophobicContact CE1-CG2 4.3Å; M460-T465 WeakPolarHBondContact CB-O 3.5Å; M460-T465 PolarHBondContact O-N 3.13Å; V463-T465 HydrophobicContact CB-CG2 4.14Å; V463-T465 HydrophobicContact CG1-CG2 3.9Å; T465-R467 PolarHBondContact O-N 2.83Å; T465-R467 PolarHBondContact OG1-N 2.99Å; T465-S534 PolarHBondContact OG1-OG 3.07Å
466S92Very high94.9Very high113 Ų11341.7 Ų41.779%0.7923%0.234SC*.SBendtrans-82.72171.355.70000113.3
467R93.1Very high94.8Very high132 Ų13240 Ų4050%0.49823%0.225SC..  trans-103.993.5178.3-65.7-55.7-161.7-178.92.8110.3T465 W533 S534T465-R467 PolarHBondContact O-N 2.83Å; T465-R467 PolarHBondContact OG1-N 2.99Å; R467-W533 PolarHBondContact O-NE1 3.39Å; R467-S534 WeakPolarHBondContact CG-O 3.37Å
468G94.4Very high94.9Very high10 Ų1038.5 Ų38.510%0.10322%0.217CC..  trans-68.3-174.7175.500000115N456 M460 R536N456-G468 WeakPolarHBondContact OD1-CA 3.4Å; M460-G468 VanDerWaalsContact SD-CA 3.56Å; G468-R536 PolarHBondContact O-NH1 3.27Å; G468-R536 PolarHBondContact O-NH2 2.89Å
469L96.4Very high94.7Very high12 Ų1238.8 Ų38.86%0.06322%0.219CC..  trans-64.8168.9169.8-59.8176.2000111.3N456 F459 H473 F474 L477 F518 W533 F541N456-L469 HydrophobicContact CB-CD1 4.37Å; N456-L469 PolarHBondContact OD1-N 3.01Å; F459-L469 HydrophobicContact CD2-CD2 4.03Å; F459-L469 HydrophobicContact CE2-CD2 4.29Å; F459-L469 HydrophobicContact CG-CD2 4.27Å; L469-H473 HydrophobicContact CB-CB 4.35Å; L469-H473 HydrophobicContact CD2-CB 4.38Å; L469-F474 HydrophobicContact CB-CE1 3.83Å; L469-F474 HydrophobicContact CB-CE2 4.1Å; L469-F474 HydrophobicContact CB-CZ 3.59Å; L469-F474 HydrophobicContact CD1-CD1 4.28Å; L469-F474 HydrophobicContact CD1-CE1 3.61Å; L469-F474 HydrophobicContact CD1-CZ 4.18Å; L469-F474 HydrophobicContact CG-CE1 4.36Å; L469-F474 HydrophobicContact CG-CZ 4.49Å; L469-L477 HydrophobicContact CD1-CD1 4.07Å; L469-F518 HydrophobicContact CD1-CZ 4.47Å; L469-W533 HydrophobicContact CD2-CH2 4.11Å; L469-W533 HydrophobicContact CD2-CZ2 4.17Å; L469-F541 HydrophobicContact CD2-CD2 3.77Å; L469-F541 HydrophobicContact CD2-CE2 3.38Å; L469-F541 HydrophobicContact CD2-CZ 4.09Å
470L95.3Very high94.6Very high53 Ų5340.4 Ų40.428%0.27723%0.226SC..  trans-128.4160.8-177.1-63.9175.3000109.9E472 H473 F474L470-E472 VanDerWaalsContact C-N 3.27Å; L470-E472 HydrophobicContact CB-CG 4.34Å; L470-E472 WeakPolarHBondContact CB-OE2 3.47Å; L470-E472 WeakPolarHBondContact CD1-OE1 3.37Å; L470-E472 PolarHBondContact O-N 3.49Å; L470-H473 PolarHBondContact N-ND1 2.85Å; L470-H473 WeakPolarHBondContact O-CA 3.13Å; L470-H473 VanDerWaalsContact O-CB 3.28Å; L470-H473 WeakPolarHBondContact O-CB 3.25Å; L470-H473 PolarHBondContact O-N 3.35Å; L470-F474 VanDerWaalsContact O-CD2 3.26Å; L470-F474 WeakPolarHBondContact O-CD2 3.45Å; L470-F474 PolarHBondContact O-N 2.99Å; L470-F474 VanDerWaalsContact O-N 3.11Å
471P92.5Very high94.6Very high86 Ų8638.6 Ų38.656%0.55822%0.217SC*.Hα-helixtrans-49.9-43.3-179.7-29.637.3000114.2H473 F474 L475P471-H473 VanDerWaalsContact C-N 3.29Å; P471-H473 PolarHBondContact O-N 2.82Å; P471-F474 PolarHBondContact O-N 3.46Å; P471-L475 PolarHBondContact O-N 3.48Å
472E91.9Very high94.6Very high98 Ų9837.6 Ų37.646%0.45820%0.204SC..Hα-helixtrans-63.8-31176.362.2-87.8-150.300113.1L470 F476L470-E472 VanDerWaalsContact C-N 3.27Å; L470-E472 HydrophobicContact CB-CG 4.34Å; L470-E472 WeakPolarHBondContact CB-OE2 3.47Å; L470-E472 WeakPolarHBondContact CD1-OE1 3.37Å; L470-E472 PolarHBondContact O-N 3.49Å; E472-F476 PolarHBondContact O-N 3.15Å
473H96.1Very high94.4Very high4 Ų440.8 Ų40.82%0.01922%0.222CC..Hα-helixtrans-71.3-41.6173.7-54.7171.5000110.6L469 L470 P471 L475 F476 L477 W533 I539 F541L469-H473 HydrophobicContact CB-CB 4.35Å; L469-H473 HydrophobicContact CD2-CB 4.38Å; L470-H473 PolarHBondContact N-ND1 2.85Å; L470-H473 WeakPolarHBondContact O-CA 3.13Å; L470-H473 VanDerWaalsContact O-CB 3.28Å; L470-H473 WeakPolarHBondContact O-CB 3.25Å; L470-H473 PolarHBondContact O-N 3.35Å; P471-H473 VanDerWaalsContact C-N 3.29Å; P471-H473 PolarHBondContact O-N 2.82Å; H473-L475 VanDerWaalsContact C-N 3.35Å; H473-F476 PolarHBondContact O-N 2.77Å; H473-L477 WeakPolarHBondContact O-CB 3.31Å; H473-L477 VanDerWaalsContact O-CG 3.23Å; H473-L477 WeakPolarHBondContact O-CG 3.18Å; H473-L477 PolarHBondContact O-N 2.83Å; H473-W533 AromaticContact CE1-CH2 3.53Å; H473-W533 AromaticContact ND1-CH2 3.73Å; H473-I539 PolarHBondContact NE2-O 3.44Å; H473-I539 VanDerWaalsContact NE2-O 3.15Å; H473-F541 HydrophobicContact CB-CB 3.63Å; H473-F541 HydrophobicContact CB-CD2 4.08Å; H473-F541 HydrophobicContact CB-CG 4.06Å; H473-F541 AromaticContact CG-CD2 3.92Å; H473-F541 AromaticContact ND1-CD2 3.87Å
474F95.4Very high94Very high43 Ų4342.3 Ų42.319%0.18923%0.23CC..Hα-helixtrans-66-36.9177.6-63-59.3000112.1C452 N456 L469 L470 P471 L477 A478C452-F474 HydrophobicContact CB-CD1 3.53Å; C452-F474 HydrophobicContact CB-CE1 3.57Å; C452-F474 HydrophobicContact CB-CG 4.15Å; C452-F474 HydrophobicContact CB-CZ 4.21Å; C452-F474 WeakPolarHBondContact O-CE1 3.48Å; C452-F474 VanDerWaalsContact SG-CD1 3.55Å; N456-F474 HydrophobicContact CB-CE1 4.29Å; N456-F474 HydrophobicContact CB-CZ 3.95Å; L469-F474 HydrophobicContact CB-CE1 3.83Å; L469-F474 HydrophobicContact CB-CE2 4.1Å; L469-F474 HydrophobicContact CB-CZ 3.59Å; L469-F474 HydrophobicContact CD1-CD1 4.28Å; L469-F474 HydrophobicContact CD1-CE1 3.61Å; L469-F474 HydrophobicContact CD1-CZ 4.18Å; L469-F474 HydrophobicContact CG-CE1 4.36Å; L469-F474 HydrophobicContact CG-CZ 4.49Å; L470-F474 VanDerWaalsContact O-CD2 3.26Å; L470-F474 WeakPolarHBondContact O-CD2 3.45Å; L470-F474 PolarHBondContact O-N 2.99Å; L470-F474 VanDerWaalsContact O-N 3.11Å; P471-F474 PolarHBondContact O-N 3.46Å; F474-L477 HydrophobicContact CD1-CD1 4.45Å; F474-L477 PolarHBondContact O-N 2.74Å; F474-A478 WeakPolarHBondContact O-CB 3.36Å; F474-A478 PolarHBondContact O-N 2.91Å
475L93.4Very high93.4Very high35 Ų3547 Ų4718%0.18325%0.248CC..Hα-helixtrans-58.8-49.8171.8179.961.7000111.3P471 H473 L477 A478 Q479 V489 F492P471-L475 PolarHBondContact O-N 3.48Å; H473-L475 VanDerWaalsContact C-N 3.35Å; L475-L477 VanDerWaalsContact C-N 3.35Å; L475-L477 PolarHBondContact O-N 2.85Å; L475-A478 WeakPolarHBondContact O-CB 3.3Å; L475-A478 PolarHBondContact O-N 3.4Å; L475-Q479 VanDerWaalsContact O-CG 3.29Å; L475-Q479 WeakPolarHBondContact O-CG 3.3Å; L475-Q479 PolarHBondContact O-N 3.18Å; L475-V489 HydrophobicContact CD1-CG2 4.44Å; L475-F492 HydrophobicContact CD1-CD2 3.82Å; L475-F492 HydrophobicContact CD1-CE2 3.64Å
476F95.1Very high93Very high11 Ų1148.2 Ų48.25%0.04826%0.257CS..Hα-helixtrans-61.6-39.2176169.7-101.7000113.3E472 H473 K480 W517 F541 I542 D565E472-F476 PolarHBondContact O-N 3.15Å; H473-F476 PolarHBondContact O-N 2.77Å; F476-K480 WeakPolarHBondContact O-CB 3.25Å; F476-K480 PolarHBondContact O-N 2.83Å; F476-W517 AromaticContact CE1-CH2 3.83Å; F476-W517 HydrophobicContact CE1-CH2 3.83Å; F476-W517 HydrophobicContact CE1-CZ2 4.1Å; F476-F541 HydrophobicContact CD1-CB 3.66Å; F476-F541 HydrophobicContact CD1-CD1 4.05Å; F476-F541 HydrophobicContact CD1-CG 4.37Å; F476-F541 HydrophobicContact CE1-CB 4.2Å; F476-F541 HydrophobicContact CE1-CD1 4.07Å; F476-F541 HydrophobicContact CG-CB 4.44Å; F476-I542 VanDerWaalsContact CE2-C 3.43Å; F476-D565 WeakPolarHBondContact CZ-OD1 3.41Å
477L96.2Very high92.4Very high0 Ų049.7 Ų49.70%026%0.255CS..Hα-helixtrans-66.7-37.7176.3-69.4170000111.5W448 L469 H473 F474 L475 K480 I481 F514 W517 F518 F541W448-L477 HydrophobicContact CH2-CB 4.01Å; W448-L477 HydrophobicContact CZ2-CB 3.97Å; L469-L477 HydrophobicContact CD1-CD1 4.07Å; H473-L477 WeakPolarHBondContact O-CB 3.31Å; H473-L477 VanDerWaalsContact O-CG 3.23Å; H473-L477 WeakPolarHBondContact O-CG 3.18Å; H473-L477 PolarHBondContact O-N 2.83Å; F474-L477 HydrophobicContact CD1-CD1 4.45Å; F474-L477 PolarHBondContact O-N 2.74Å; L475-L477 VanDerWaalsContact C-N 3.35Å; L475-L477 PolarHBondContact O-N 2.85Å; L477-K480 PolarHBondContact O-N 3.14Å; L477-I481 WeakPolarHBondContact O-CG2 3.2Å; L477-I481 PolarHBondContact O-N 3.03Å; L477-F514 HydrophobicContact CB-CE2 4.49Å; L477-F514 HydrophobicContact CB-CZ 4.45Å; L477-F514 HydrophobicContact CD2-CE2 3.97Å; L477-F514 HydrophobicContact CD2-CZ 3.93Å; L477-W517 HydrophobicContact CD2-CH2 3.81Å; L477-W517 HydrophobicContact CD2-CZ3 3.59Å; L477-F518 HydrophobicContact CD1-CE2 4.11Å; L477-F518 HydrophobicContact CD2-CD2 3.99Å; L477-F518 HydrophobicContact CD2-CE2 4.17Å; L477-F541 HydrophobicContact CD1-CD1 4.46Å; L477-F541 HydrophobicContact CD2-CD1 3.78Å; L477-F541 HydrophobicContact CD2-CE1 3.91Å; L477-F541 HydrophobicContact CG-CD1 4.16Å
478A95.6Very high91.8Very high0 Ų045.6 Ų45.60%025%0.247CC..Hα-helixtrans-64.8-48.9175.400000111.4W448 F474 L475 K480 I481 F482 F492W448-A478 HydrophobicContact CZ2-CB 3.82Å; F474-A478 WeakPolarHBondContact O-CB 3.36Å; F474-A478 PolarHBondContact O-N 2.91Å; L475-A478 WeakPolarHBondContact O-CB 3.3Å; L475-A478 PolarHBondContact O-N 3.4Å; A478-K480 VanDerWaalsContact C-N 3.26Å; A478-K480 PolarHBondContact O-N 2.66Å; A478-I481 PolarHBondContact O-N 2.91Å; A478-F482 HydrophobicContact CB-CD2 4.25Å; A478-F482 HydrophobicContact CB-CE2 4.45Å; A478-F482 WeakPolarHBondContact O-CB 3.43Å; A478-F482 VanDerWaalsContact O-CD2 3.28Å; A478-F482 WeakPolarHBondContact O-CD2 3.3Å; A478-F482 PolarHBondContact O-N 2.85Å; A478-F492 HydrophobicContact CB-CB 4.06Å; A478-F492 HydrophobicContact CB-CD1 3.63Å; A478-F492 HydrophobicContact CB-CD2 3.93Å; A478-F492 HydrophobicContact CB-CE1 3.99Å; A478-F492 HydrophobicContact CB-CE2 4.27Å; A478-F492 HydrophobicContact CB-CG 3.59Å; A478-F492 HydrophobicContact CB-CZ 4.29Å
479Q93.2Very high91.1Very high31 Ų3148.9 Ų48.915%0.14527%0.265CS..Hα-helixtrans-54.6-43.8174.2-70.7172.3-13.100111.5L475 N483 D484 S486 F492L475-Q479 VanDerWaalsContact O-CG 3.29Å; L475-Q479 WeakPolarHBondContact O-CG 3.3Å; L475-Q479 PolarHBondContact O-N 3.18Å; Q479-N483 VanDerWaalsContact O-CA 3.3Å; Q479-N483 WeakPolarHBondContact O-CA 3.3Å; Q479-N483 PolarHBondContact O-N 2.93Å; Q479-N483 VanDerWaalsContact O-N 3.1Å; Q479-D484 WeakPolarHBondContact CA-O 3.47Å; Q479-D484 WeakPolarHBondContact CB-O 3.44Å; Q479-D484 VanDerWaalsContact CG-O 3.3Å; Q479-D484 WeakPolarHBondContact CG-O 3.28Å; Q479-D484 PolarHBondContact O-N 2.93Å; Q479-D484 VanDerWaalsContact O-N 3.07Å; Q479-S486 PolarHBondContact NE2-O 2.95Å; Q479-F492 HydrophobicContact CG-CE2 4.29Å; Q479-F492 HydrophobicContact CG-CZ 4.08Å
480K94.4Very high90.4Very high34 Ų3454.4 Ų54.415%0.14829%0.29CS..Hα-helixtrans-68.4-43.7179.4-173.9177.6-60.8-59.30113.5F476 L477 A478 L507 F514 W517 D565F476-K480 WeakPolarHBondContact O-CB 3.25Å; F476-K480 PolarHBondContact O-N 2.83Å; L477-K480 PolarHBondContact O-N 3.14Å; A478-K480 VanDerWaalsContact C-N 3.26Å; A478-K480 PolarHBondContact O-N 2.66Å; K480-L507 HydrophobicContact CD-CD1 4.18Å; K480-L507 HydrophobicContact CG-CD1 4.16Å; K480-L507 HydrophobicContact CG-CD2 4.38Å; K480-F514 HydrophobicContact CD-CD2 4.39Å; K480-F514 HydrophobicContact CG-CD2 4.35Å; K480-W517 HydrophobicContact CD-CD2 4Å; K480-W517 HydrophobicContact CD-CE3 3.66Å; K480-W517 HydrophobicContact CD-CH2 3.83Å; K480-W517 HydrophobicContact CD-CZ2 4.14Å; K480-W517 HydrophobicContact CD-CZ3 3.57Å; K480-W517 VanDerWaalsContact CE-CH2 3.49Å; K480-D565 IonicContact NZ-OD1 3.61Å; K480-D565 PolarHBondContact NZ-OD1 2.91Å
481I95.8Very high89.8Confident10 Ų1053.7 Ų53.75%0.05129%0.292CS..Hα-helixtrans-81-32.7-174.3-157.6171.5000113W448 L477 A478 V497 F502 F514W448-I481 HydrophobicContact CE3-CG2 4.27Å; W448-I481 HydrophobicContact CH2-CG2 3.93Å; W448-I481 HydrophobicContact CZ3-CD1 4.09Å; W448-I481 HydrophobicContact CZ3-CG2 3.78Å; L477-I481 WeakPolarHBondContact O-CG2 3.2Å; L477-I481 PolarHBondContact O-N 3.03Å; A478-I481 PolarHBondContact O-N 2.91Å; I481-V497 HydrophobicContact CD1-CG2 3.59Å; I481-V497 HydrophobicContact CG1-CG2 4.4Å; I481-F502 HydrophobicContact CD1-CD2 4.25Å; I481-F514 HydrophobicContact CB-CD2 3.67Å; I481-F514 HydrophobicContact CB-CE2 3.85Å; I481-F514 HydrophobicContact CB-CG 4.18Å; I481-F514 HydrophobicContact CD1-CB 4.27Å; I481-F514 HydrophobicContact CD1-CD1 3.63Å; I481-F514 HydrophobicContact CD1-CD2 4Å; I481-F514 HydrophobicContact CD1-CE1 3.88Å; I481-F514 HydrophobicContact CD1-CE2 4.22Å; I481-F514 HydrophobicContact CD1-CG 3.69Å; I481-F514 HydrophobicContact CD1-CZ 4.16Å; I481-F514 HydrophobicContact CG1-CB 4.05Å; I481-F514 HydrophobicContact CG1-CD1 4.23Å; I481-F514 HydrophobicContact CG1-CD2 3.78Å; I481-F514 HydrophobicContact CG1-CE2 4.27Å; I481-F514 HydrophobicContact CG1-CG 3.75Å
482F94.9Very high89.6Confident29 Ų2949.9 Ų49.913%0.12727%0.266CS..Hα-helixtrans-90.7-4.9176.8-62.8-60000113.3W448 A478 D484 F492 R495 V497W448-F482 HydrophobicContact CB-CE2 4.28Å; W448-F482 HydrophobicContact CB-CZ 4.17Å; W448-F482 AromaticContact CD2-CE2 3.88Å; W448-F482 HydrophobicContact CD2-CE2 3.88Å; W448-F482 HydrophobicContact CD2-CZ 4.24Å; W448-F482 HydrophobicContact CE3-CE2 4.18Å; W448-F482 HydrophobicContact CE3-CZ 4.24Å; W448-F482 AromaticContact CG-CE2 3.89Å; W448-F482 HydrophobicContact CG-CE2 3.89Å; W448-F482 HydrophobicContact CG-CZ 4.21Å; A478-F482 HydrophobicContact CB-CD2 4.25Å; A478-F482 HydrophobicContact CB-CE2 4.45Å; A478-F482 WeakPolarHBondContact O-CB 3.43Å; A478-F482 VanDerWaalsContact O-CD2 3.28Å; A478-F482 WeakPolarHBondContact O-CD2 3.3Å; A478-F482 PolarHBondContact O-N 2.85Å; F482-D484 VanDerWaalsContact C-N 3.34Å; F482-D484 HydrophobicContact CB-CB 4.16Å; F482-D484 PolarHBondContact O-N 2.92Å; F482-F492 HydrophobicContact CB-CE1 4.42Å; F482-F492 AromaticContact CD2-CD1 3.66Å; F482-F492 HydrophobicContact CD2-CD1 3.66Å; F482-F492 AromaticContact CD2-CE1 3.94Å; F482-F492 HydrophobicContact CD2-CE1 3.94Å; F482-F492 HydrophobicContact CE2-CD1 4.15Å; F482-R495 HydrophobicContact CE1-CB 4.26Å; F482-R495 HydrophobicContact CE2-CB 4.05Å; F482-R495 HydrophobicContact CZ-CB 3.74Å; F482-V497 HydrophobicContact CE1-CB 4.26Å; F482-V497 HydrophobicContact CZ-CB 4.22Å
483N91.3Very high88.9Confident106 Ų10649.8 Ų49.857%0.56727%0.266SS*.THydrogen-bonded Turntrans49.854.2-172.2-170.485.3000111.5Q479 L508Q479-N483 VanDerWaalsContact O-CA 3.3Å; Q479-N483 WeakPolarHBondContact O-CA 3.3Å; Q479-N483 PolarHBondContact O-N 2.93Å; Q479-N483 VanDerWaalsContact O-N 3.1Å; N483-L508 WeakPolarHBondContact OD1-CD1 3.2Å
484D88.7Confident88.4Confident36 Ų3657.7 Ų57.719%0.19330%0.302CS..  trans-130.8136.6-171-166.7-47.5000109.5Q479 F482 S486 F492 R495Q479-D484 WeakPolarHBondContact CA-O 3.47Å; Q479-D484 WeakPolarHBondContact CB-O 3.44Å; Q479-D484 VanDerWaalsContact CG-O 3.3Å; Q479-D484 WeakPolarHBondContact CG-O 3.28Å; Q479-D484 PolarHBondContact O-N 2.93Å; Q479-D484 VanDerWaalsContact O-N 3.07Å; F482-D484 VanDerWaalsContact C-N 3.34Å; F482-D484 HydrophobicContact CB-CB 4.16Å; F482-D484 PolarHBondContact O-N 2.92Å; D484-S486 WeakPolarHBondContact OD1-CB 3.47Å; D484-S486 PolarHBondContact OD1-N 3.22Å; D484-S486 PolarHBondContact OD1-OG 2.92Å; D484-F492 HydrophobicContact CB-CE1 3.91Å; D484-F492 HydrophobicContact CB-CZ 4.05Å; D484-R495 IonicContact OD2-CZ 2.7Å; D484-R495 IonicContact OD2-NH1 3.31Å; D484-R495 PolarHBondContact OD2-NH1 2.95Å; D484-R495 IonicContact OD2-NH2 3.18Å; D484-R495 PolarHBondContact OD2-NH2 2.88Å
485N82.1Confident88.3Confident131 Ų13159.1 Ų59.170%0.70131%0.307SS*.  trans-97.58.8-176.7-63.6-40.4000113.3L487N485-L487 PolarHBondContact O-N 3.14Å
486S85Confident88.4Confident39 Ų3960.4 Ų60.427%0.27332%0.318SS..  trans-57132.9178.6-62.30000111.7Q479 D484 F492Q479-S486 PolarHBondContact NE2-O 2.95Å; D484-S486 WeakPolarHBondContact OD1-CB 3.47Å; D484-S486 PolarHBondContact OD1-N 3.22Å; D484-S486 PolarHBondContact OD1-OG 2.92Å; S486-F492 WeakPolarHBondContact O-CE2 3.3Å
487L79.5Confident88.5Confident143 Ų14359.9 Ų59.975%0.74932%0.315SS*.  trans-95.8-8.2-179.8-57.5-179.9000113.4N485N485-L487 PolarHBondContact O-N 3.14Å
488S80.1Confident88.6Confident47 Ų4759.9 Ų59.933%0.32932%0.315SS..  trans-82.8140.9175.3152.40000110.5E490 A491 F492S488-E490 WeakPolarHBondContact CB-OE2 3.5Å; S488-E490 WeakPolarHBondContact OG-CB 2.94Å; S488-E490 PolarHBondContact OG-N 3.16Å; S488-E490 PolarHBondContact OG-OE2 3.09Å; S488-A491 PolarHBondContact OG-N 3.43Å; S488-F492 VanDerWaalsContact O-CD2 3.26Å; S488-F492 WeakPolarHBondContact O-CD2 3.33Å; S488-F492 WeakPolarHBondContact O-CE2 3.42Å
489V79.9Confident88.7Confident79 Ų7961.3 Ų61.348%0.47932%0.321SS..SBendtrans-79.1-35.8174.1179.20000110.2L475 A491 F492 Q493L475-V489 HydrophobicContact CD1-CG2 4.44Å; V489-A491 PolarHBondContact O-N 2.83Å; V489-F492 PolarHBondContact O-N 3.35Å; V489-Q493 PolarHBondContact O-N 2.85Å
490E81.6Confident88.8Confident128 Ų12861.1 Ų61.160%0.59832%0.323SS*.Hα-helixtrans-57.6-37.9178.1-52.473.1-160.900111.1S488 F492 Q493S488-E490 WeakPolarHBondContact CB-OE2 3.5Å; S488-E490 WeakPolarHBondContact OG-CB 2.94Å; S488-E490 PolarHBondContact OG-N 3.16Å; S488-E490 PolarHBondContact OG-OE2 3.09Å; E490-F492 PolarHBondContact O-N 2.95Å; E490-Q493 PolarHBondContact O-N 3.2Å
491A83.6Confident89Confident38 Ų3861.5 Ų61.531%0.31433%0.325SS..Hα-helixtrans-59.6-16.4175.500000114.7S488 V489 R495S488-A491 PolarHBondContact OG-N 3.43Å; V489-A491 PolarHBondContact O-N 2.83Å; A491-R495 PolarHBondContact O-NE 2.83Å; A491-R495 PolarHBondContact O-NH2 2.86Å
492F87.6Confident89.1Confident5 Ų561 Ų612%0.02232%0.323CS..Hα-helixtrans-111.6-17.1178.2-61.2-72000113.9L475 A478 Q479 F482 D484 S486 S488 V489 E490 H494 R495L475-F492 HydrophobicContact CD1-CD2 3.82Å; L475-F492 HydrophobicContact CD1-CE2 3.64Å; A478-F492 HydrophobicContact CB-CB 4.06Å; A478-F492 HydrophobicContact CB-CD1 3.63Å; A478-F492 HydrophobicContact CB-CD2 3.93Å; A478-F492 HydrophobicContact CB-CE1 3.99Å; A478-F492 HydrophobicContact CB-CE2 4.27Å; A478-F492 HydrophobicContact CB-CG 3.59Å; A478-F492 HydrophobicContact CB-CZ 4.29Å; Q479-F492 HydrophobicContact CG-CE2 4.29Å; Q479-F492 HydrophobicContact CG-CZ 4.08Å; F482-F492 HydrophobicContact CB-CE1 4.42Å; F482-F492 AromaticContact CD2-CD1 3.66Å; F482-F492 HydrophobicContact CD2-CD1 3.66Å; F482-F492 AromaticContact CD2-CE1 3.94Å; F482-F492 HydrophobicContact CD2-CE1 3.94Å; F482-F492 HydrophobicContact CE2-CD1 4.15Å; D484-F492 HydrophobicContact CB-CE1 3.91Å; D484-F492 HydrophobicContact CB-CZ 4.05Å; S486-F492 WeakPolarHBondContact O-CE2 3.3Å; S488-F492 VanDerWaalsContact O-CD2 3.26Å; S488-F492 WeakPolarHBondContact O-CD2 3.33Å; S488-F492 WeakPolarHBondContact O-CE2 3.42Å; V489-F492 PolarHBondContact O-N 3.35Å; E490-F492 PolarHBondContact O-N 2.95Å; F492-H494 VanDerWaalsContact C-N 3.27Å; F492-H494 PolarHBondContact O-N 3.34Å; F492-R495 PolarHBondContact O-N 2.98Å; F492-R495 VanDerWaalsContact O-N 3.1Å
493Q77.8Confident89.2Confident96 Ų9660.2 Ų60.245%0.44932%0.32SS..Hα-helixtrans-58.3-35.2-171.2-172173.311.300113.6V489 E490V489-Q493 PolarHBondContact O-N 2.85Å; E490-Q493 PolarHBondContact O-N 3.2Å
494H85.1Confident89.3Confident170 Ų17059 Ų5979%0.78731%0.309SS*.THydrogen-bonded Turntrans-104.814.8-179.5-58.8-40.4000114.1F492F492-H494 VanDerWaalsContact C-N 3.27Å; F492-H494 PolarHBondContact O-N 3.34Å
495R93.8Very high89.6Confident74 Ų7461.7 Ų61.728%0.27932%0.321SS..  trans-82.4151.7175.6-64.8-165.6-166.3-162.52.1111.9W448 F482 D484 A491 F492W448-R495 WeakPolarHBondContact CB-O 3.38Å; W448-R495 PolarHBondContact N-O 3.2Å; F482-R495 HydrophobicContact CE1-CB 4.26Å; F482-R495 HydrophobicContact CE2-CB 4.05Å; F482-R495 HydrophobicContact CZ-CB 3.74Å; D484-R495 IonicContact OD2-CZ 2.7Å; D484-R495 IonicContact OD2-NH1 3.31Å; D484-R495 PolarHBondContact OD2-NH1 2.95Å; D484-R495 IonicContact OD2-NH2 3.18Å; D484-R495 PolarHBondContact OD2-NH2 2.88Å; A491-R495 PolarHBondContact O-NE 2.83Å; A491-R495 PolarHBondContact O-NH2 2.86Å; F492-R495 PolarHBondContact O-N 2.98Å; F492-R495 VanDerWaalsContact O-N 3.1Å
496C95.7Very high90.3Very high61 Ų6160.3 Ų60.341%0.41231%0.312SS..EExtended strand (participates in β ladder)trans-112.3132.4168.6-65.70000110.5R445 V446R445-C496 HydrophobicContact CB-CB 4.44Å; V446-C496 CarbonylContact O-C 3.54Å; V446-C496 WeakPolarHBondContact O-CA 3.4Å; V446-C496 WeakPolarHBondContact O-CB 3.33Å
497V97.6Very high90.7Very high0 Ų059.7 Ų59.70%031%0.306CS..EExtended strand (participates in β ladder)trans-88.2139.8171.750.70000109.6W428 R445 V446 W448 M451 I481 F482 Q501 F502W428-V497 HydrophobicContact CH2-CG1 4.45Å; R445-V497 CarbonylContact C-O 3.6Å; R445-V497 VanDerWaalsContact CA-O 3.27Å; R445-V497 WeakPolarHBondContact CA-O 3.24Å; V446-V497 HydrophobicContact CG2-CG1 3.77Å; V446-V497 PolarHBondContact N-O 3.2Å; V446-V497 PolarHBondContact O-N 3.31Å; W448-V497 HydrophobicContact CE3-CB 4.36Å; W448-V497 HydrophobicContact CE3-CG1 4.16Å; M451-V497 HydrophobicContact CB-CG1 3.91Å; M451-V497 HydrophobicContact CE-CG1 4.09Å; M451-V497 HydrophobicContact CG-CG1 4.1Å; I481-V497 HydrophobicContact CD1-CG2 3.59Å; I481-V497 HydrophobicContact CG1-CG2 4.4Å; F482-V497 HydrophobicContact CE1-CB 4.26Å; F482-V497 HydrophobicContact CZ-CB 4.22Å; V497-Q501 HydrophobicContact CG2-CB 4.22Å; V497-F502 HydrophobicContact CG2-CB 4.41Å
498S97.8Very high91.2Very high0 Ų059 Ų590%030%0.302CS..EExtended strand (participates in β ladder)trans-92.1156.7170.3650000113.1W428 E444 S500 Q501 F502W428-S498 VanDerWaalsContact CH2-C 3.41Å; E444-S498 CarbonylContact O-C 3.55Å; E444-S498 VanDerWaalsContact O-CA 3.28Å; E444-S498 WeakPolarHBondContact O-CA 3.28Å; S498-S500 PolarHBondContact O-N 3.4Å; S498-S500 PolarHBondContact OG-OG 2.83Å; S498-Q501 PolarHBondContact O-N 2.85Å; S498-Q501 VanDerWaalsContact OG-CG 3.3Å; S498-Q501 WeakPolarHBondContact OG-CG 3.23Å; S498-Q501 PolarHBondContact OG-N 3.34Å; S498-Q501 VanDerWaalsContact OG-N 3.07Å; S498-Q501 PolarHBondContact OG-OE1 3.07Å; S498-F502 WeakPolarHBondContact O-CB 3.48Å; S498-F502 PolarHBondContact O-N 3.48Å
499W97.4Very high91.6Very high31 Ų3160.1 Ų60.112%0.11732%0.321CS..Hα-helixtrans-55.2-35168.5171.5-123.8000111.7E381 A424 W428 E444 F502 N503E381-W499 HydrophobicContact CG-CZ2 4.06Å; E381-W499 PolarHBondContact OE2-NE1 2.81Å; A424-W499 HydrophobicContact CB-CH2 3.7Å; A424-W499 HydrophobicContact CB-CZ3 3.98Å; W428-W499 HydrophobicContact CB-CE3 4.05Å; W428-W499 HydrophobicContact CB-CZ3 3.92Å; W428-W499 HydrophobicContact CD2-CB 4.49Å; W428-W499 AromaticContact CD2-CE3 3.71Å; W428-W499 HydrophobicContact CD2-CE3 3.71Å; W428-W499 HydrophobicContact CD2-CZ3 4.42Å; W428-W499 AromaticContact CE3-CE3 3.74Å; W428-W499 HydrophobicContact CE3-CE3 3.74Å; W428-W499 HydrophobicContact CE3-CZ3 4.38Å; W428-W499 AromaticContact CG-CE3 3.85Å; W428-W499 HydrophobicContact CG-CE3 3.85Å; W428-W499 HydrophobicContact CG-CZ3 4.25Å; W428-W499 HydrophobicContact CH2-CB 4.28Å; W428-W499 VanDerWaalsContact CH2-N 3.25Å; W428-W499 HydrophobicContact CZ2-CB 3.99Å; W428-W499 HydrophobicContact CZ3-CE3 4.46Å; E444-W499 PolarHBondContact O-N 2.84Å; W499-F502 AromaticContact CE3-CD1 3.96Å; W499-F502 HydrophobicContact CE3-CD1 3.96Å; W499-F502 AromaticContact CZ3-CD1 3.76Å; W499-F502 HydrophobicContact CZ3-CD1 3.76Å; W499-F502 HydrophobicContact CZ3-CE1 4.26Å; W499-F502 PolarHBondContact O-N 3.1Å; W499-N503 HydrophobicContact CH2-CB 4.05Å; W499-N503 HydrophobicContact CZ3-CB 4.11Å; W499-N503 PolarHBondContact O-N 2.94Å
500S96.1Very high92.3Very high26 Ų2661 Ų6118%0.18232%0.316CS..Hα-helixtrans-64.4-50.6175.765.50000112.1S498 F502 N503 K504 E505S498-S500 PolarHBondContact O-N 3.4Å; S498-S500 PolarHBondContact OG-OG 2.83Å; S500-F502 PolarHBondContact O-N 2.97Å; S500-N503 PolarHBondContact O-N 3.15Å; S500-K504 CarbonylContact O-C 3.48Å; S500-K504 WeakPolarHBondContact O-CA 3.46Å; S500-K504 PolarHBondContact O-N 3.07Å; S500-E505 WeakPolarHBondContact CB-OE1 3.15Å; S500-E505 WeakPolarHBondContact O-CB 3.46Å; S500-E505 PolarHBondContact O-N 3.33Å; S500-E505 PolarHBondContact OG-OE1 3.08Å
501Q97.3Very high92.9Very high42 Ų4258.2 Ų58.220%0.19632%0.321CS..Hα-helixtrans-59.2-33.1175.1-74.1171.4-38.700112.4V497 S498 E505V497-Q501 HydrophobicContact CG2-CB 4.22Å; S498-Q501 PolarHBondContact O-N 2.85Å; S498-Q501 VanDerWaalsContact OG-CG 3.3Å; S498-Q501 WeakPolarHBondContact OG-CG 3.23Å; S498-Q501 PolarHBondContact OG-N 3.34Å; S498-Q501 VanDerWaalsContact OG-N 3.07Å; S498-Q501 PolarHBondContact OG-OE1 3.07Å; Q501-E505 VanDerWaalsContact CG-OE2 3.3Å; Q501-E505 WeakPolarHBondContact CG-OE2 3.38Å; Q501-E505 PolarHBondContact N-OE1 3.19Å
502F97.9Very high93.5Very high0 Ų057.3 Ų57.30%031%0.31CS..Hα-helixtrans-74.7-49.3-178.2-172.8-104.8000113.4A424 L427 W428 M451 L455 I481 V497 S498 W499 S500 F514 W515A424-F502 HydrophobicContact CB-CE1 4.24Å; L427-F502 HydrophobicContact CD2-CE1 4.45Å; L427-F502 HydrophobicContact CD2-CZ 3.87Å; W428-F502 HydrophobicContact CE3-CB 4.14Å; W428-F502 AromaticContact CE3-CD1 3.79Å; W428-F502 HydrophobicContact CE3-CD1 3.79Å; W428-F502 HydrophobicContact CE3-CE1 4.35Å; W428-F502 AromaticContact CE3-CG 3.92Å; W428-F502 HydrophobicContact CE3-CG 3.92Å; W428-F502 HydrophobicContact CZ3-CB 3.66Å; W428-F502 HydrophobicContact CZ3-CD1 4.17Å; W428-F502 HydrophobicContact CZ3-CD2 4.35Å; W428-F502 AromaticContact CZ3-CG 3.81Å; W428-F502 HydrophobicContact CZ3-CG 3.81Å; M451-F502 HydrophobicContact CE-CD2 3.83Å; M451-F502 HydrophobicContact CE-CE2 3.9Å; M451-F502 HydrophobicContact CE-CG 4.37Å; M451-F502 HydrophobicContact SD-CD2 4.14Å; M451-F502 HydrophobicContact SD-CE2 3.72Å; M451-F502 HydrophobicContact SD-CZ 4.42Å; L455-F502 HydrophobicContact CD2-CE2 4.24Å; I481-F502 HydrophobicContact CD1-CD2 4.25Å; V497-F502 HydrophobicContact CG2-CB 4.41Å; S498-F502 WeakPolarHBondContact O-CB 3.48Å; S498-F502 PolarHBondContact O-N 3.48Å; W499-F502 AromaticContact CE3-CD1 3.96Å; W499-F502 HydrophobicContact CE3-CD1 3.96Å; W499-F502 AromaticContact CZ3-CD1 3.76Å; W499-F502 HydrophobicContact CZ3-CD1 3.76Å; W499-F502 HydrophobicContact CZ3-CE1 4.26Å; W499-F502 PolarHBondContact O-N 3.1Å; S500-F502 PolarHBondContact O-N 2.97Å; F502-F514 AromaticContact CD2-CD1 3.88Å; F502-F514 HydrophobicContact CD2-CD1 3.88Å; F502-F514 HydrophobicContact CD2-CE1 4.2Å; F502-F514 HydrophobicContact CE2-CD1 4.01Å; F502-F514 HydrophobicContact CE2-CE1 4.02Å; F502-W515 HydrophobicContact CD1-CB 4.21Å; F502-W515 HydrophobicContact CE1-CB 3.88Å; F502-W515 HydrophobicContact CE1-CD2 4.1Å; F502-W515 HydrophobicContact CE1-CE3 4.08Å; F502-W515 HydrophobicContact CE1-CG 4.03Å; F502-W515 HydrophobicContact CE2-CB 4.45Å; F502-W515 HydrophobicContact CE2-CE3 4.23Å; F502-W515 HydrophobicContact CZ-CB 4Å; F502-W515 AromaticContact CZ-CD2 3.92Å; F502-W515 HydrophobicContact CZ-CD2 3.92Å; F502-W515 AromaticContact CZ-CE3 3.43Å; F502-W515 HydrophobicContact CZ-CE3 3.43Å; F502-W515 VanDerWaalsContact CZ-CE3 3.43Å; F502-W515 HydrophobicContact CZ-CG 4.18Å; F502-W515 HydrophobicContact CZ-CZ3 4.24Å; F502-W515 WeakPolarHBondContact O-CB 3.5Å; F502-W515 PolarHBondContact O-N 3.23Å
503N97Very high94Very high12 Ų1257.3 Ų57.36%0.06431%0.31CS..Hα-helixtrans-146.427.7-174.8-158.249.5000117N421 A424 W499 S500 T513 W515N421-N503 PolarHBondContact OD1-ND2 3.39Å; N421-N503 PolarHBondContact OD1-OD1 2.7Å; A424-N503 HydrophobicContact CB-CB 3.96Å; A424-N503 WeakPolarHBondContact CB-ND2 3.33Å; W499-N503 HydrophobicContact CH2-CB 4.05Å; W499-N503 HydrophobicContact CZ3-CB 4.11Å; W499-N503 PolarHBondContact O-N 2.94Å; S500-N503 PolarHBondContact O-N 3.15Å; N503-T513 PolarHBondContact OD1-OG1 3.02Å; N503-W515 HydrophobicContact CB-CB 4.12Å
504K94.3Very high95Very high81 Ų8152.7 Ų52.735%0.35229%0.289SS..THydrogen-bonded Turntrans-127.2-42.5165.9-60.4-168.7174.3-172.20113.4E381 S500E381-K504 WeakPolarHBondContact OE1-CE 3.48Å; E381-K504 IonicContact OE1-NZ 3.04Å; E381-K504 PolarHBondContact OE1-NZ 3.06Å; E381-K504 WeakPolarHBondContact OE2-CE 3.44Å; E381-K504 IonicContact OE2-NZ 3.73Å; E381-K504 PolarHBondContact OE2-NZ 3.35Å; S500-K504 CarbonylContact O-C 3.48Å; S500-K504 WeakPolarHBondContact O-CA 3.46Å; S500-K504 PolarHBondContact O-N 3.07Å
505E95.4Very high95.6Very high92 Ų9244.6 Ų44.643%0.4325%0.252SS..SBendtrans-71131.3178.3-68.3166.7-13800109.6S500 Q501 T513S500-E505 WeakPolarHBondContact CB-OE1 3.15Å; S500-E505 WeakPolarHBondContact O-CB 3.46Å; S500-E505 PolarHBondContact O-N 3.33Å; S500-E505 PolarHBondContact OG-OE1 3.08Å; Q501-E505 VanDerWaalsContact CG-OE2 3.3Å; Q501-E505 WeakPolarHBondContact CG-OE2 3.38Å; Q501-E505 PolarHBondContact N-OE1 3.19Å; E505-T513 WeakPolarHBondContact O-CA 3.33Å
506I95.6Very high95.8Very high103 Ų10343 Ų4353%0.52825%0.247SC..BIsolated β-bridgetrans-84.5132.2177.4-65.4172.1000107.8R510I506-R510 WeakPolarHBondContact CG2-O 3.46Å
507L94.4Very high95.9Very high25 Ų2540.2 Ų40.213%0.13123%0.228CC..PPolyproline II helixtrans-60.6139.2178-65.1176.9000110.5K480 G509 R510 F512 F514K480-L507 HydrophobicContact CD-CD1 4.18Å; K480-L507 HydrophobicContact CG-CD1 4.16Å; K480-L507 HydrophobicContact CG-CD2 4.38Å; L507-G509 PolarHBondContact O-N 3.13Å; L507-R510 HydrophobicContact CB-CB 4.05Å; L507-R510 HydrophobicContact CB-CG 3.91Å; L507-R510 WeakPolarHBondContact O-CB 3.41Å; L507-R510 PolarHBondContact O-N 3.18Å; L507-F512 HydrophobicContact CD1-CD2 4.35Å; L507-F512 HydrophobicContact CD1-CE2 4.23Å; L507-F512 PolarHBondContact N-O 3.25Å; L507-F514 HydrophobicContact CD2-CB 4.24Å
508L89.3Confident95.9Very high129 Ų12940.2 Ų40.268%0.67523%0.228SC*.THydrogen-bonded Turntrans-57.6130.9-177.3-62.7-169.5000111.6N483 R510N483-L508 WeakPolarHBondContact OD1-CD1 3.2Å; L508-R510 VanDerWaalsContact C-N 3.3Å; L508-R510 PolarHBondContact O-N 3.25Å
509G88.7Confident95.9Very high70 Ų7040.6 Ų40.672%0.72223%0.23SC*.THydrogen-bonded Turntrans69.820.5-175.700000114.7L507L507-G509 PolarHBondContact O-N 3.13Å
510R93.8Very high95.9Very high99 Ų9939.5 Ų39.537%0.37423%0.229SC..SBendtrans-127.5173.8176.1-55.4-61.2175.4-117.15.5111.6I506 L507 L508 F512 D565I506-R510 WeakPolarHBondContact CG2-O 3.46Å; L507-R510 HydrophobicContact CB-CB 4.05Å; L507-R510 HydrophobicContact CB-CG 3.91Å; L507-R510 WeakPolarHBondContact O-CB 3.41Å; L507-R510 PolarHBondContact O-N 3.18Å; L508-R510 VanDerWaalsContact C-N 3.3Å; L508-R510 PolarHBondContact O-N 3.25Å; R510-F512 HydrophobicContact CB-CD1 4.32Å; R510-F512 HydrophobicContact CB-CD2 4.09Å; R510-F512 HydrophobicContact CB-CE1 4.17Å; R510-F512 HydrophobicContact CB-CE2 3.92Å; R510-F512 HydrophobicContact CB-CG 4.3Å; R510-F512 HydrophobicContact CB-CZ 3.99Å; R510-F512 HydrophobicContact CG-CD2 4.48Å; R510-F512 HydrophobicContact CG-CE1 4.48Å; R510-F512 HydrophobicContact CG-CE2 3.85Å; R510-F512 HydrophobicContact CG-CZ 3.88Å; R510-D565 PolarHBondContact NE-O 3.37Å; R510-D565 PolarHBondContact NH2-O 2.83Å
511G94.8Very high96Very high69 Ų6938.3 Ų38.371%0.71122%0.22SC*.SBendtrans-114.924172.800000113.1
512F96.5Very high96Very high18 Ų1836.3 Ų36.38%0.07921%0.211CC..SBendtrans-150.1158.5-173.949.4-106.5000112.9L507 R510 Q516 W517 S566 I568L507-F512 HydrophobicContact CD1-CD2 4.35Å; L507-F512 HydrophobicContact CD1-CE2 4.23Å; L507-F512 PolarHBondContact N-O 3.25Å; R510-F512 HydrophobicContact CB-CD1 4.32Å; R510-F512 HydrophobicContact CB-CD2 4.09Å; R510-F512 HydrophobicContact CB-CE1 4.17Å; R510-F512 HydrophobicContact CB-CE2 3.92Å; R510-F512 HydrophobicContact CB-CG 4.3Å; R510-F512 HydrophobicContact CB-CZ 3.99Å; R510-F512 HydrophobicContact CG-CD2 4.48Å; R510-F512 HydrophobicContact CG-CE1 4.48Å; R510-F512 HydrophobicContact CG-CE2 3.85Å; R510-F512 HydrophobicContact CG-CZ 3.88Å; F512-Q516 VanDerWaalsContact CA-OE1 3.3Å; F512-Q516 HydrophobicContact CB-CB 4.11Å; F512-W517 HydrophobicContact CD2-CB 3.79Å; F512-W517 HydrophobicContact CE2-CB 3.69Å; F512-W517 AromaticContact CE2-CD1 3.99Å; F512-W517 HydrophobicContact CE2-CG 4.1Å; F512-S566 WeakPolarHBondContact CE1-O 3.49Å; F512-I568 HydrophobicContact CB-CD1 3.79Å; F512-I568 HydrophobicContact CB-CG1 4.36Å; F512-I568 HydrophobicContact CD1-CD1 3.72Å; F512-I568 HydrophobicContact CD1-CG1 3.61Å; F512-I568 HydrophobicContact CD2-CG1 4.33Å; F512-I568 HydrophobicContact CE1-CD1 4.43Å; F512-I568 HydrophobicContact CE1-CG1 3.83Å; F512-I568 HydrophobicContact CG-CD1 3.83Å; F512-I568 HydrophobicContact CG-CG1 3.86Å; F512-I568 HydrophobicContact CZ-CG1 4.28Å
513T97.4Very high95.9Very high5 Ų539.1 Ų39.13%0.03123%0.226CC..BIsolated β-bridgetrans-78.9169.6177.969.10000112.4N503 E505 Q516 W517N503-T513 PolarHBondContact OD1-OG1 3.02Å; E505-T513 WeakPolarHBondContact O-CA 3.33Å; T513-Q516 WeakPolarHBondContact OG1-CB 3.28Å; T513-Q516 WeakPolarHBondContact OG1-CG 3.35Å; T513-Q516 PolarHBondContact OG1-N 3.27Å; T513-Q516 VanDerWaalsContact OG1-N 3.11Å; T513-W517 PolarHBondContact O-N 3.37Å
514F98.4Very high96Very high0 Ų038.6 Ų38.60%022%0.223CC..Hα-helixtrans-56.1-50.4171.8174.1-91.3000112.1L455 L477 K480 I481 F502 L507 W517 F518L455-F514 HydrophobicContact CD1-CE1 4.11Å; L455-F514 HydrophobicContact CD1-CZ 4.13Å; L455-F514 HydrophobicContact CD2-CE1 4.43Å; L477-F514 HydrophobicContact CB-CE2 4.49Å; L477-F514 HydrophobicContact CB-CZ 4.45Å; L477-F514 HydrophobicContact CD2-CE2 3.97Å; L477-F514 HydrophobicContact CD2-CZ 3.93Å; K480-F514 HydrophobicContact CD-CD2 4.39Å; K480-F514 HydrophobicContact CG-CD2 4.35Å; I481-F514 HydrophobicContact CB-CD2 3.67Å; I481-F514 HydrophobicContact CB-CE2 3.85Å; I481-F514 HydrophobicContact CB-CG 4.18Å; I481-F514 HydrophobicContact CD1-CB 4.27Å; I481-F514 HydrophobicContact CD1-CD1 3.63Å; I481-F514 HydrophobicContact CD1-CD2 4Å; I481-F514 HydrophobicContact CD1-CE1 3.88Å; I481-F514 HydrophobicContact CD1-CE2 4.22Å; I481-F514 HydrophobicContact CD1-CG 3.69Å; I481-F514 HydrophobicContact CD1-CZ 4.16Å; I481-F514 HydrophobicContact CG1-CB 4.05Å; I481-F514 HydrophobicContact CG1-CD1 4.23Å; I481-F514 HydrophobicContact CG1-CD2 3.78Å; I481-F514 HydrophobicContact CG1-CE2 4.27Å; I481-F514 HydrophobicContact CG1-CG 3.75Å; F502-F514 AromaticContact CD2-CD1 3.88Å; F502-F514 HydrophobicContact CD2-CD1 3.88Å; F502-F514 HydrophobicContact CD2-CE1 4.2Å; F502-F514 HydrophobicContact CE2-CD1 4.01Å; F502-F514 HydrophobicContact CE2-CE1 4.02Å; L507-F514 HydrophobicContact CD2-CB 4.24Å; F514-W517 HydrophobicContact CE2-CZ3 4.26Å; F514-W517 PolarHBondContact O-N 2.99Å; F514-F518 HydrophobicContact CE1-CB 4.44Å; F514-F518 PolarHBondContact O-N 2.82Å
515W98.1Very high96.2Very high0 Ų034.7 Ų34.70%021%0.206CC..Hα-helixtrans-65.3-41-178.9170.6-99.9000113.1N420 K423 A424 L427 L455 K458 F502 N503 W517 F518 D519 L522N420-W515 PolarHBondContact O-NE1 2.67Å; K423-W515 HydrophobicContact CB-CZ2 3.93Å; A424-W515 VanDerWaalsContact CB-CD1 3.42Å; A424-W515 HydrophobicContact CB-CD2 4.3Å; A424-W515 HydrophobicContact CB-CG 3.84Å; L427-W515 HydrophobicContact CD2-CE3 4.05Å; L427-W515 HydrophobicContact CD2-CH2 3.81Å; L427-W515 HydrophobicContact CD2-CZ3 3.47Å; L427-W515 VanDerWaalsContact CD2-CZ3 3.47Å; L455-W515 HydrophobicContact CD2-CZ3 4.5Å; K458-W515 HydrophobicContact CG-CH2 4.45Å; F502-W515 HydrophobicContact CD1-CB 4.21Å; F502-W515 HydrophobicContact CE1-CB 3.88Å; F502-W515 HydrophobicContact CE1-CD2 4.1Å; F502-W515 HydrophobicContact CE1-CE3 4.08Å; F502-W515 HydrophobicContact CE1-CG 4.03Å; F502-W515 HydrophobicContact CE2-CB 4.45Å; F502-W515 HydrophobicContact CE2-CE3 4.23Å; F502-W515 HydrophobicContact CZ-CB 4Å; F502-W515 AromaticContact CZ-CD2 3.92Å; F502-W515 HydrophobicContact CZ-CD2 3.92Å; F502-W515 AromaticContact CZ-CE3 3.43Å; F502-W515 HydrophobicContact CZ-CE3 3.43Å; F502-W515 VanDerWaalsContact CZ-CE3 3.43Å; F502-W515 HydrophobicContact CZ-CG 4.18Å; F502-W515 HydrophobicContact CZ-CZ3 4.24Å; F502-W515 WeakPolarHBondContact O-CB 3.5Å; F502-W515 PolarHBondContact O-N 3.23Å; N503-W515 HydrophobicContact CB-CB 4.12Å; W515-W517 PolarHBondContact O-N 3.45Å; W515-F518 HydrophobicContact CE3-CD1 4.21Å; W515-F518 AromaticContact CZ3-CD1 3.88Å; W515-F518 HydrophobicContact CZ3-CD1 3.88Å; W515-F518 HydrophobicContact CZ3-CE1 4.48Å; W515-F518 PolarHBondContact O-N 2.75Å; W515-F518 VanDerWaalsContact O-N 3.11Å; W515-D519 HydrophobicContact CD2-CB 4.23Å; W515-D519 HydrophobicContact CH2-CB 3.99Å; W515-D519 HydrophobicContact CZ2-CB 3.58Å; W515-D519 HydrophobicContact CZ3-CB 4.45Å; W515-D519 PolarHBondContact O-N 2.98Å; W515-L522 HydrophobicContact CH2-CD1 4.29Å
516Q97.8Very high96.2Very high41 Ų4135 Ų3519%0.19221%0.206CC..Hα-helixtrans-56.8-41.3177.2-77.2161.711.600111.6N420 N421 F512 T513 G520 I568N420-Q516 WeakPolarHBondContact OD1-CG 3.43Å; N421-Q516 PolarHBondContact OD1-NE2 3.3Å; F512-Q516 VanDerWaalsContact CA-OE1 3.3Å; F512-Q516 HydrophobicContact CB-CB 4.11Å; T513-Q516 WeakPolarHBondContact OG1-CB 3.28Å; T513-Q516 WeakPolarHBondContact OG1-CG 3.35Å; T513-Q516 PolarHBondContact OG1-N 3.27Å; T513-Q516 VanDerWaalsContact OG1-N 3.11Å; Q516-G520 PolarHBondContact O-N 2.91Å; Q516-I568 WeakPolarHBondContact O-CG2 3.43Å
517W98.1Very high96.2Very high1 Ų136.7 Ų36.70%0.00421%0.206CC..Hα-helixtrans-67.6-46173168.882.6000112.6F476 L477 K480 F512 T513 F514 W515 G520 V521 F541 S564F476-W517 AromaticContact CE1-CH2 3.83Å; F476-W517 HydrophobicContact CE1-CH2 3.83Å; F476-W517 HydrophobicContact CE1-CZ2 4.1Å; L477-W517 HydrophobicContact CD2-CH2 3.81Å; L477-W517 HydrophobicContact CD2-CZ3 3.59Å; K480-W517 HydrophobicContact CD-CD2 4Å; K480-W517 HydrophobicContact CD-CE3 3.66Å; K480-W517 HydrophobicContact CD-CH2 3.83Å; K480-W517 HydrophobicContact CD-CZ2 4.14Å; K480-W517 HydrophobicContact CD-CZ3 3.57Å; K480-W517 VanDerWaalsContact CE-CH2 3.49Å; F512-W517 HydrophobicContact CD2-CB 3.79Å; F512-W517 HydrophobicContact CE2-CB 3.69Å; F512-W517 AromaticContact CE2-CD1 3.99Å; F512-W517 HydrophobicContact CE2-CG 4.1Å; T513-W517 PolarHBondContact O-N 3.37Å; F514-W517 HydrophobicContact CE2-CZ3 4.26Å; F514-W517 PolarHBondContact O-N 2.99Å; W515-W517 PolarHBondContact O-N 3.45Å; W517-G520 PolarHBondContact O-N 3.29Å; W517-V521 HydrophobicContact CZ2-CG2 4.23Å; W517-V521 PolarHBondContact O-N 3.14Å; W517-F541 AromaticContact CH2-CD1 3.89Å; W517-F541 HydrophobicContact CH2-CD1 3.89Å; W517-F541 AromaticContact CH2-CE1 3.77Å; W517-F541 HydrophobicContact CH2-CE1 3.77Å; W517-F541 HydrophobicContact CZ3-CE1 4.43Å; W517-S564 PolarHBondContact NE1-O 2.76Å
518F98.4Very high96.4Very high0 Ų037.2 Ų37.20%021%0.211CC..Hα-helixtrans-66.5-46.2-176.3-173.1-93.1000113.1L455 F459 L469 L477 F514 W515 G520 V521 L522 F541L455-F518 HydrophobicContact CB-CE1 4.4Å; L455-F518 HydrophobicContact CB-CZ 4.05Å; L455-F518 HydrophobicContact CD2-CD1 3.81Å; L455-F518 HydrophobicContact CD2-CE1 3.59Å; L455-F518 HydrophobicContact CD2-CE2 4.44Å; L455-F518 HydrophobicContact CD2-CG 4.33Å; L455-F518 HydrophobicContact CD2-CZ 3.93Å; F459-F518 HydrophobicContact CB-CZ 4.48Å; F459-F518 HydrophobicContact CD2-CZ 4.14Å; L469-F518 HydrophobicContact CD1-CZ 4.47Å; L477-F518 HydrophobicContact CD1-CE2 4.11Å; L477-F518 HydrophobicContact CD2-CD2 3.99Å; L477-F518 HydrophobicContact CD2-CE2 4.17Å; F514-F518 HydrophobicContact CE1-CB 4.44Å; F514-F518 PolarHBondContact O-N 2.82Å; W515-F518 HydrophobicContact CE3-CD1 4.21Å; W515-F518 AromaticContact CZ3-CD1 3.88Å; W515-F518 HydrophobicContact CZ3-CD1 3.88Å; W515-F518 HydrophobicContact CZ3-CE1 4.48Å; W515-F518 PolarHBondContact O-N 2.75Å; W515-F518 VanDerWaalsContact O-N 3.11Å; F518-G520 VanDerWaalsContact C-N 3.28Å; F518-G520 PolarHBondContact O-N 3.35Å; F518-V521 CarbonylContact O-C 3.54Å; F518-V521 WeakPolarHBondContact O-CA 3.47Å; F518-V521 WeakPolarHBondContact O-CB 3.42Å; F518-V521 PolarHBondContact O-N 3.25Å; F518-L522 HydrophobicContact CD1-CD1 4.14Å; F518-L522 HydrophobicContact CD1-CD2 4.49Å; F518-L522 HydrophobicContact CD1-CG 4.09Å; F518-L522 HydrophobicContact CE1-CD1 3.96Å; F518-L522 HydrophobicContact CE1-CD2 3.87Å; F518-L522 HydrophobicContact CE1-CG 3.94Å; F518-L522 HydrophobicContact CZ-CD2 4.29Å; F518-L522 PolarHBondContact O-N 3.45Å; F518-F541 HydrophobicContact CD2-CE1 4.11Å; F518-F541 HydrophobicContact CD2-CZ 4.43Å; F518-F541 AromaticContact CE2-CE1 3.94Å; F518-F541 HydrophobicContact CE2-CE1 3.94Å; F518-F541 AromaticContact CE2-CZ 3.92Å; F518-F541 HydrophobicContact CE2-CZ 3.92Å
519D97.9Very high96.8Very high9 Ų931.1 Ų31.15%0.04818%0.179CC..Hα-helixtrans-67.6-28.3175.8-178.667.4000111.7N420 K423 W515 V521 L522 D523N420-D519 VanDerWaalsContact ND2-CB 3.31Å; N420-D519 WeakPolarHBondContact ND2-CB 3.29Å; N420-D519 PolarHBondContact ND2-OD2 2.97Å; K423-D519 IonicContact NZ-OD1 2.71Å; K423-D519 IonicContact NZ-OD2 3.21Å; W515-D519 HydrophobicContact CD2-CB 4.23Å; W515-D519 HydrophobicContact CH2-CB 3.99Å; W515-D519 HydrophobicContact CZ2-CB 3.58Å; W515-D519 HydrophobicContact CZ3-CB 4.45Å; W515-D519 PolarHBondContact O-N 2.98Å; D519-V521 VanDerWaalsContact C-N 3.35Å; D519-L522 WeakPolarHBondContact O-CB 3.42Å; D519-L522 PolarHBondContact O-N 3.03Å; D519-D523 VanDerWaalsContact O-CB 3.29Å; D519-D523 WeakPolarHBondContact O-CB 3.31Å; D519-D523 PolarHBondContact O-N 2.72Å
520G97.4Very high97.2Very high8 Ų834.4 Ų34.48%0.08217%0.17CC..Hα-helixtrans-62.9-38.5166.700000113.4Q516 W517 F518 L524 G569Q516-G520 PolarHBondContact O-N 2.91Å; W517-G520 PolarHBondContact O-N 3.29Å; F518-G520 VanDerWaalsContact C-N 3.28Å; F518-G520 PolarHBondContact O-N 3.35Å; G520-L524 WeakPolarHBondContact O-CB 3.33Å; G520-L524 PolarHBondContact O-N 3.45Å; G520-G569 VanDerWaalsContact O-CA 3.23Å; G520-G569 WeakPolarHBondContact O-CA 3.42Å
521V97.9Very high97.3Very high1 Ų132.3 Ų32.31%0.00617%0.17CC..Hα-helixtrans-68.1-38.5171.8168.60000111.4W517 F518 D519 T525 F541 F563W517-V521 HydrophobicContact CZ2-CG2 4.23Å; W517-V521 PolarHBondContact O-N 3.14Å; F518-V521 CarbonylContact O-C 3.54Å; F518-V521 WeakPolarHBondContact O-CA 3.47Å; F518-V521 WeakPolarHBondContact O-CB 3.42Å; F518-V521 PolarHBondContact O-N 3.25Å; D519-V521 VanDerWaalsContact C-N 3.35Å; V521-T525 VanDerWaalsContact O-CB 3.28Å; V521-T525 WeakPolarHBondContact O-CB 3.45Å; V521-T525 PolarHBondContact O-N 3.03Å; V521-T525 PolarHBondContact O-OG1 2.88Å; V521-F541 HydrophobicContact CG1-CE1 4.22Å; V521-F541 HydrophobicContact CG1-CZ 3.81Å; V521-F563 HydrophobicContact CG1-CD1 3.88Å; V521-F563 HydrophobicContact CG1-CD2 3.47Å; V521-F563 VanDerWaalsContact CG1-CD2 3.47Å; V521-F563 HydrophobicContact CG1-CE1 3.86Å; V521-F563 HydrophobicContact CG1-CE2 3.45Å; V521-F563 VanDerWaalsContact CG1-CE2 3.45Å; V521-F563 HydrophobicContact CG1-CG 3.71Å; V521-F563 HydrophobicContact CG1-CZ 3.66Å; V521-F563 HydrophobicContact CG2-CB 3.97Å; V521-F563 HydrophobicContact CG2-CD1 4.26Å; V521-F563 HydrophobicContact CG2-CD2 4.37Å; V521-F563 HydrophobicContact CG2-CG 3.95Å
522L97.1Very high97.5Very high0 Ų029.6 Ų29.60%014%0.138CC..Hα-helixtrans-58.9-51.4171.9-63.8-176.8000111.2K458 F459 E462 V463 W515 F518 D519 T525 K526K458-L522 HydrophobicContact CG-CD1 4.1Å; F459-L522 HydrophobicContact CB-CD2 3.88Å; F459-L522 HydrophobicContact CD2-CD2 3.33Å; F459-L522 HydrophobicContact CE2-CD2 4.03Å; F459-L522 HydrophobicContact CG-CD2 3.79Å; E462-L522 HydrophobicContact CB-CD1 4.29Å; E462-L522 HydrophobicContact CG-CB 4.26Å; E462-L522 HydrophobicContact CG-CD1 4.26Å; V463-L522 HydrophobicContact CG2-CD2 4.37Å; W515-L522 HydrophobicContact CH2-CD1 4.29Å; F518-L522 HydrophobicContact CD1-CD1 4.14Å; F518-L522 HydrophobicContact CD1-CD2 4.49Å; F518-L522 HydrophobicContact CD1-CG 4.09Å; F518-L522 HydrophobicContact CE1-CD1 3.96Å; F518-L522 HydrophobicContact CE1-CD2 3.87Å; F518-L522 HydrophobicContact CE1-CG 3.94Å; F518-L522 HydrophobicContact CZ-CD2 4.29Å; F518-L522 PolarHBondContact O-N 3.45Å; D519-L522 WeakPolarHBondContact O-CB 3.42Å; D519-L522 PolarHBondContact O-N 3.03Å; L522-T525 PolarHBondContact O-N 2.95Å; L522-T525 VanDerWaalsContact O-N 3.14Å; L522-K526 WeakPolarHBondContact O-CB 3.25Å; L522-K526 PolarHBondContact O-N 3.11Å
523D96.4Very high97.5Very high59 Ų5928.7 Ų28.732%0.31614%0.135SC..Hα-helixtrans-67.5-37.3-175.9-175.235.7000112.6D519 R527D519-D523 VanDerWaalsContact O-CB 3.29Å; D519-D523 WeakPolarHBondContact O-CB 3.31Å; D519-D523 PolarHBondContact O-N 2.72Å; D523-R527 WeakPolarHBondContact O-CB 3.16Å; D523-R527 WeakPolarHBondContact O-CG 3.37Å; D523-R527 PolarHBondContact O-N 3.24Å; D523-R527 PolarHBondContact O-NE 3.38Å; D523-R527 IonicContact OD1-CZ 3.94Å; D523-R527 IonicContact OD1-NE 3.66Å; D523-R527 IonicContact OD1-NH1 2.66Å; D523-R527 PolarHBondContact OD1-NH1 3.44Å; D523-R527 IonicContact OD1-NH2 2.75Å; D523-R527 PolarHBondContact OD1-NH2 2.88Å; D523-R527 IonicContact OD2-CZ 3.98Å; D523-R527 IonicContact OD2-NH1 3.77Å; D523-R527 PolarHBondContact OD2-NH1 2.84Å; D523-R527 IonicContact OD2-NH2 3.84Å; D523-R527 PolarHBondContact OD2-NH2 3.11Å
524L98Very high97.5Very high0 Ų030.1 Ų30.10%015%0.145CC..Hα-helixtrans-61-49.5166.9-179.870.2000111.3G520 R527 C528 L529 F563 G569 I571 A594 L597G520-L524 WeakPolarHBondContact O-CB 3.33Å; G520-L524 PolarHBondContact O-N 3.45Å; L524-R527 PolarHBondContact O-N 3.28Å; L524-C528 HydrophobicContact CD1-CB 4.37Å; L524-C528 WeakPolarHBondContact O-CB 3.43Å; L524-C528 PolarHBondContact O-N 2.88Å; L524-L529 HydrophobicContact CD2-CD1 3.71Å; L524-L529 HydrophobicContact CG-CD1 3.79Å; L524-L529 HydrophobicContact CG-CG 4.4Å; L524-F563 HydrophobicContact CD2-CD1 4.33Å; L524-F563 HydrophobicContact CD2-CE1 4.36Å; L524-G569 WeakPolarHBondContact CD1-O 3.07Å; L524-G569 WeakPolarHBondContact CD2-O 3.25Å; L524-I571 HydrophobicContact CD2-CB 3.92Å; L524-I571 HydrophobicContact CD2-CG2 4.07Å; L524-A594 HydrophobicContact CD1-CB 4Å; L524-L597 HydrophobicContact CD1-CD1 3.95Å
525T98.1Very high97.4Very high0 Ų034 Ų340%017%0.165CC..Iπ-helixtrans-67-45.8-172.9-55.10000111F459 V463 V521 L522 R527 L529 R530 W533 F563F459-T525 HydrophobicContact CZ-CG2 4.12Å; V463-T525 HydrophobicContact CG1-CG2 3.69Å; V463-T525 HydrophobicContact CG2-CG2 3.91Å; V521-T525 VanDerWaalsContact O-CB 3.28Å; V521-T525 WeakPolarHBondContact O-CB 3.45Å; V521-T525 PolarHBondContact O-N 3.03Å; V521-T525 PolarHBondContact O-OG1 2.88Å; L522-T525 PolarHBondContact O-N 2.95Å; L522-T525 VanDerWaalsContact O-N 3.14Å; T525-R527 PolarHBondContact O-N 2.98Å; T525-L529 HydrophobicContact CG2-CB 4.15Å; T525-L529 CarbonylContact O-C 3.59Å; T525-L529 PolarHBondContact O-N 2.93Å; T525-R530 PolarHBondContact O-N 2.98Å; T525-W533 HydrophobicContact CG2-CB 4.14Å; T525-W533 HydrophobicContact CG2-CG 4.38Å; T525-F563 WeakPolarHBondContact OG1-CZ 3.36Å
526K96.6Very high97.3Very high97 Ų9737.6 Ų37.642%0.42218%0.179SC..Iπ-helixtrans-53.4-48.3174.7-179-177.9-165.6177.30112.7E462 L522E462-K526 HydrophobicContact CG-CD 4.37Å; E462-K526 WeakPolarHBondContact O-CD 3.34Å; E462-K526 VanDerWaalsContact O-CE 3.27Å; E462-K526 WeakPolarHBondContact O-CE 3.42Å; E462-K526 VanDerWaalsContact O-CG 3.26Å; E462-K526 WeakPolarHBondContact O-CG 3.27Å; E462-K526 IonicContact OE1-NZ 3.04Å; E462-K526 PolarHBondContact OE1-NZ 3.34Å; L522-K526 WeakPolarHBondContact O-CB 3.25Å; L522-K526 PolarHBondContact O-N 3.11Å
527R95.9Very high97.3Very high140 Ų14036.1 Ų36.153%0.52817%0.172SC..Iπ-helixtrans-79.5-38.3-176.5-69.8-172-60.2-123.6-12.8114D523 L524 T525D523-R527 WeakPolarHBondContact O-CB 3.16Å; D523-R527 WeakPolarHBondContact O-CG 3.37Å; D523-R527 PolarHBondContact O-N 3.24Å; D523-R527 PolarHBondContact O-NE 3.38Å; D523-R527 IonicContact OD1-CZ 3.94Å; D523-R527 IonicContact OD1-NE 3.66Å; D523-R527 IonicContact OD1-NH1 2.66Å; D523-R527 PolarHBondContact OD1-NH1 3.44Å; D523-R527 IonicContact OD1-NH2 2.75Å; D523-R527 PolarHBondContact OD1-NH2 2.88Å; D523-R527 IonicContact OD2-CZ 3.98Å; D523-R527 IonicContact OD2-NH1 3.77Å; D523-R527 PolarHBondContact OD2-NH1 2.84Å; D523-R527 IonicContact OD2-NH2 3.84Å; D523-R527 PolarHBondContact OD2-NH2 3.11Å; L524-R527 PolarHBondContact O-N 3.28Å; T525-R527 PolarHBondContact O-N 2.98Å
528C97.2Very high97.3Very high36 Ų3636.5 Ų36.524%0.24317%0.174CC..Iπ-helixtrans-124-22.9-162.7-58.90000115L524 L597L524-C528 HydrophobicContact CD1-CB 4.37Å; L524-C528 WeakPolarHBondContact O-CB 3.43Å; L524-C528 PolarHBondContact O-N 2.88Å; C528-L597 HydrophobicContact CB-CB 4.19Å; C528-L597 HydrophobicContact CB-CD1 3.66Å
529L97.9Very high97.2Very high0 Ų038.5 Ų38.50%019%0.185CC..Iπ-helixtrans-126.3-1.1-165.4-48.6170.9000115.2L524 T525 S531 Y532 W533 I538 F563 I571 L597 L602L524-L529 HydrophobicContact CD2-CD1 3.71Å; L524-L529 HydrophobicContact CG-CD1 3.79Å; L524-L529 HydrophobicContact CG-CG 4.4Å; T525-L529 HydrophobicContact CG2-CB 4.15Å; T525-L529 CarbonylContact O-C 3.59Å; T525-L529 PolarHBondContact O-N 2.93Å; L529-S531 PolarHBondContact O-N 2.81Å; L529-S531 VanDerWaalsContact O-N 3.09Å; L529-Y532 PolarHBondContact O-N 3.45Å; L529-Y532 VanDerWaalsContact O-N 3.16Å; L529-W533 PolarHBondContact O-N 3.23Å; L529-I538 HydrophobicContact CB-CD1 3.9Å; L529-I538 HydrophobicContact CD1-CD1 4.22Å; L529-I538 HydrophobicContact CD2-CD1 4.33Å; L529-I538 HydrophobicContact CG-CD1 4.4Å; L529-F563 HydrophobicContact CD1-CE1 3.86Å; L529-I571 HydrophobicContact CD1-CB 4.24Å; L529-I571 HydrophobicContact CD1-CD1 3.61Å; L529-I571 HydrophobicContact CD1-CG2 4.18Å; L529-I571 HydrophobicContact CD2-CD1 4.27Å; L529-I571 HydrophobicContact CD2-CG2 4.42Å; L529-L597 HydrophobicContact CD2-CD1 3.81Å; L529-L597 HydrophobicContact CG-CD1 4.42Å; L529-L602 HydrophobicContact CD2-CB 4.34Å; L529-L602 HydrophobicContact CD2-CD2 3.55Å
530R97.4Very high97.2Very high139 Ų13938 Ų3853%0.52518%0.182SC..Hα-helixtrans-47.7-41-175.5-179.8-177.4-179.7-147.6-1.7113.9V463 G464 T525 S534V463-R530 HydrophobicContact CG1-CB 4.24Å; V463-R530 HydrophobicContact CG1-CG 4.12Å; V463-R530 WeakPolarHBondContact O-CD 3.49Å; V463-R530 WeakPolarHBondContact O-CG 3.31Å; V463-R530 PolarHBondContact O-NE 3.23Å; V463-R530 VanDerWaalsContact O-NE 3.17Å; G464-R530 VanDerWaalsContact O-CZ 3.24Å; G464-R530 PolarHBondContact O-NE 3.44Å; G464-R530 PolarHBondContact O-NH2 3.37Å; T525-R530 PolarHBondContact O-N 2.98Å; R530-S534 WeakPolarHBondContact O-CB 3.23Å; R530-S534 PolarHBondContact O-N 3.11Å; R530-S534 VanDerWaalsContact O-N 3.17Å; R530-S534 PolarHBondContact O-OG 2.63Å
531S96.9Very high97.1Very high55 Ų5537.8 Ų37.839%0.38518%0.179SC..Hα-helixtrans-68.1-60.1177.959.10000111.1L529 W533 S534 D535 H628L529-S531 PolarHBondContact O-N 2.81Å; L529-S531 VanDerWaalsContact O-N 3.09Å; S531-W533 PolarHBondContact O-N 3.34Å; S531-W533 VanDerWaalsContact O-N 3.14Å; S531-S534 PolarHBondContact O-N 2.95Å; S531-D535 PolarHBondContact O-N 3.1Å; S531-H628 PolarHBondContact OG-CE1 2.97Å; S531-H628 VanDerWaalsContact OG-CE1 3.31Å; S531-H628 PolarHBondContact OG-ND1 2.87Å
532Y97.7Very high97Very high12 Ų1238.2 Ų38.25%0.04718%0.181CC..Hα-helixtrans-50.1-38.9177-52.7-101.6000113.6L529 R536 L537 L602 G603 F625 H628L529-Y532 PolarHBondContact O-N 3.45Å; L529-Y532 VanDerWaalsContact O-N 3.16Å; Y532-R536 PolarHBondContact O-N 2.95Å; Y532-L537 HydrophobicContact CD1-CD1 4.43Å; Y532-L537 WeakPolarHBondContact O-CB 3.19Å; Y532-L537 PolarHBondContact O-N 2.87Å; Y532-L602 HydrophobicContact CE1-CB 4.15Å; Y532-L602 HydrophobicContact CE1-CG 4.48Å; Y532-G603 PolarHBondContact OH-N 2.95Å; Y532-F625 HydrophobicContact CD1-CD1 4.02Å; Y532-F625 AromaticContact CD1-CE1 3.95Å; Y532-F625 HydrophobicContact CD1-CE1 3.95Å; Y532-F625 HydrophobicContact CE1-CD1 4.09Å; Y532-F625 HydrophobicContact CE1-CE1 4.36Å; Y532-H628 HydrophobicContact CD1-CB 4.26Å; Y532-H628 AromaticContact CD1-CG 3.85Å; Y532-H628 AromaticContact CD1-ND1 3.84Å; Y532-H628 AromaticContact CD2-ND1 3.92Å; Y532-H628 HydrophobicContact CE1-CB 3.52Å; Y532-H628 AromaticContact CE1-CG 3.61Å; Y532-H628 AromaticContact CE1-ND1 3.79Å; Y532-H628 AromaticContact CE2-ND1 3.85Å; Y532-H628 AromaticContact CG-ND1 3.92Å; Y532-H628 AromaticContact CZ-CG 3.93Å; Y532-H628 AromaticContact CZ-ND1 3.79Å
533W97.9Very high96.7Very high0 Ų039.3 Ų39.30%019%0.189CC..Hα-helixtrans-69.4-45.1175.4177.3-86.4000112.5F459 R467 L469 H473 T525 L529 S531 D535 R536 I538 F541 F563F459-W533 HydrophobicContact CD1-CZ2 4.48Å; F459-W533 AromaticContact CE1-CD1 3.97Å; F459-W533 AromaticContact CE1-CD2 3.99Å; F459-W533 HydrophobicContact CE1-CD2 3.99Å; F459-W533 AromaticContact CE1-CE2 3.39Å; F459-W533 HydrophobicContact CE1-CG 4.32Å; F459-W533 HydrophobicContact CE1-CH2 4.44Å; F459-W533 AromaticContact CE1-CZ2 3.66Å; F459-W533 HydrophobicContact CE1-CZ2 3.66Å; F459-W533 AromaticContact CE1-NE1 3.39Å; F459-W533 HydrophobicContact CE2-CZ2 4.48Å; F459-W533 AromaticContact CZ-CD2 3.81Å; F459-W533 HydrophobicContact CZ-CD2 3.81Å; F459-W533 AromaticContact CZ-CE2 3.56Å; F459-W533 HydrophobicContact CZ-CE3 4.13Å; F459-W533 HydrophobicContact CZ-CG 4.41Å; F459-W533 AromaticContact CZ-CH2 3.98Å; F459-W533 HydrophobicContact CZ-CH2 3.98Å; F459-W533 AromaticContact CZ-CZ2 3.65Å; F459-W533 HydrophobicContact CZ-CZ2 3.65Å; F459-W533 HydrophobicContact CZ-CZ3 4.21Å; R467-W533 PolarHBondContact O-NE1 3.39Å; L469-W533 HydrophobicContact CD2-CH2 4.11Å; L469-W533 HydrophobicContact CD2-CZ2 4.17Å; H473-W533 AromaticContact CE1-CH2 3.53Å; H473-W533 AromaticContact ND1-CH2 3.73Å; T525-W533 HydrophobicContact CG2-CB 4.14Å; T525-W533 HydrophobicContact CG2-CG 4.38Å; L529-W533 PolarHBondContact O-N 3.23Å; S531-W533 PolarHBondContact O-N 3.34Å; S531-W533 VanDerWaalsContact O-N 3.14Å; W533-D535 VanDerWaalsContact C-N 3.27Å; W533-D535 PolarHBondContact O-N 2.84Å; W533-R536 WeakPolarHBondContact O-CA 3.44Å; W533-R536 PolarHBondContact O-N 3.04Å; W533-I538 HydrophobicContact CE3-CB 4.18Å; W533-I538 HydrophobicContact CE3-CG2 3.95Å; W533-I538 HydrophobicContact CZ3-CG2 4.22Å; W533-F541 AromaticContact CH2-CD2 3.88Å; W533-F541 HydrophobicContact CH2-CD2 3.88Å; W533-F541 AromaticContact CH2-CE2 3.78Å; W533-F541 HydrophobicContact CH2-CE2 3.78Å; W533-F541 HydrophobicContact CZ3-CD2 4.2Å; W533-F541 HydrophobicContact CZ3-CE2 4.09Å; W533-F563 HydrophobicContact CE3-CZ 4.4Å; W533-F563 HydrophobicContact CZ3-CE2 4.08Å; W533-F563 HydrophobicContact CZ3-CZ 4.4Å
534S96.3Very high96.4Very high35 Ų3542 Ų4225%0.24520%0.198CC..Hα-helixtrans-65.7-32.3-180-56.80000112.1T465 R467 R530 S531 R536T465-S534 PolarHBondContact OG1-OG 3.07Å; R467-S534 WeakPolarHBondContact CG-O 3.37Å; R530-S534 WeakPolarHBondContact O-CB 3.23Å; R530-S534 PolarHBondContact O-N 3.11Å; R530-S534 VanDerWaalsContact O-N 3.17Å; R530-S534 PolarHBondContact O-OG 2.63Å; S531-S534 PolarHBondContact O-N 2.95Å; S534-R536 PolarHBondContact O-N 3.05Å
535D96Very high95.9Very high80 Ų8048.9 Ų48.943%0.42823%0.23SC..THydrogen-bonded Turntrans-76.3-2173.2-66.2-7.7000113.3S531 W533 L537 H628S531-D535 PolarHBondContact O-N 3.1Å; W533-D535 VanDerWaalsContact C-N 3.27Å; W533-D535 PolarHBondContact O-N 2.84Å; D535-L537 VanDerWaalsContact C-N 3.32Å; D535-L537 HydrophobicContact CB-CD1 4.19Å; D535-L537 HydrophobicContact CB-CD2 4.49Å; D535-L537 HydrophobicContact CB-CG 3.84Å; D535-L537 PolarHBondContact O-N 3.41Å; D535-H628 IonicContact OD2-CE1 3.64Å; D535-H628 PolarHBondContact OD2-CE1 2.7Å; D535-H628 IonicContact OD2-NE2 2.94Å; D535-H628 PolarHBondContact OD2-NE2 3.21Å
536R96.4Very high95.5Very high76 Ų7655 Ų5529%0.28725%0.254SS..THydrogen-bonded Turntrans53.942.4-174.6-63.1-62.5-154.3-161.64.6113.2G468 Y532 W533 S534G468-R536 PolarHBondContact O-NH1 3.27Å; G468-R536 PolarHBondContact O-NH2 2.89Å; Y532-R536 PolarHBondContact O-N 2.95Å; W533-R536 WeakPolarHBondContact O-CA 3.44Å; W533-R536 PolarHBondContact O-N 3.04Å; S534-R536 PolarHBondContact O-N 3.05Å
537L97.6Very high95.3Very high11 Ų1150.4 Ų50.46%0.05823%0.234CC..  trans-89.8-12172.3-54.1-178.3000113.2Y532 D535 L615 A624 F625Y532-L537 HydrophobicContact CD1-CD1 4.43Å; Y532-L537 WeakPolarHBondContact O-CB 3.19Å; Y532-L537 PolarHBondContact O-N 2.87Å; D535-L537 VanDerWaalsContact C-N 3.32Å; D535-L537 HydrophobicContact CB-CD1 4.19Å; D535-L537 HydrophobicContact CB-CD2 4.49Å; D535-L537 HydrophobicContact CB-CG 3.84Å; D535-L537 PolarHBondContact O-N 3.41Å; L537-L615 HydrophobicContact CB-CD2 4.17Å; L537-L615 HydrophobicContact CD2-CD2 3.92Å; L537-A624 VanDerWaalsContact CD1-O 3.23Å; L537-A624 WeakPolarHBondContact CD1-O 3.38Å; L537-A624 HydrophobicContact CD2-CB 4.19Å; L537-F625 HydrophobicContact CB-CE1 4.12Å; L537-F625 HydrophobicContact CB-CZ 4.23Å; L537-F625 HydrophobicContact CD1-CD1 3.89Å; L537-F625 HydrophobicContact CD1-CE1 3.82Å; L537-F625 HydrophobicContact CD1-CZ 4.42Å
538I98.1Very high95.1Very high8 Ų846.3 Ų46.34%0.04123%0.225CC..  trans-114.2128.2-178.3-65.2171.6000108.8L529 W533 L561 F563 I571L529-I538 HydrophobicContact CB-CD1 3.9Å; L529-I538 HydrophobicContact CD1-CD1 4.22Å; L529-I538 HydrophobicContact CD2-CD1 4.33Å; L529-I538 HydrophobicContact CG-CD1 4.4Å; W533-I538 HydrophobicContact CE3-CB 4.18Å; W533-I538 HydrophobicContact CE3-CG2 3.95Å; W533-I538 HydrophobicContact CZ3-CG2 4.22Å; I538-L561 HydrophobicContact CG1-CB 4.1Å; I538-L561 HydrophobicContact CG1-CD1 3.89Å; I538-F563 HydrophobicContact CG2-CZ 4.25Å; I538-I571 HydrophobicContact CD1-CD1 3.85Å; I538-I571 HydrophobicContact CG1-CD1 4.25Å; I538-I571 HydrophobicContact CG2-CD1 4.35Å
539I96.8Very high94.8Very high42 Ų4247.5 Ų47.522%0.21523%0.233CC..  trans-78.9-48.9165.7-57.4177.7000108H473 F541 I542 L560 L561 Y616H473-I539 PolarHBondContact NE2-O 3.44Å; H473-I539 VanDerWaalsContact NE2-O 3.15Å; I539-F541 PolarHBondContact O-N 2.82Å; I539-I542 HydrophobicContact CB-CG2 4.46Å; I539-I542 HydrophobicContact CG2-CB 3.97Å; I539-I542 HydrophobicContact CG2-CD1 4.37Å; I539-I542 HydrophobicContact CG2-CG2 3.91Å; I539-L560 HydrophobicContact CD1-CB 3.95Å; I539-L560 HydrophobicContact CD1-CD1 4.45Å; I539-L560 HydrophobicContact CD1-CD2 4Å; I539-L560 HydrophobicContact CD1-CG 4.37Å; I539-L561 PolarHBondContact N-O 3.28Å; I539-L561 VanDerWaalsContact N-O 3.14Å; I539-Y616 HydrophobicContact CD1-CD1 4.1Å
540G96.8Very high94.6Very high0 Ų049.1 Ų49.10%024%0.242CC..BIsolated β-bridgetrans76.9-70173.200000113I542 L561 F563G540-I542 PolarHBondContact O-N 2.92Å; G540-L561 PolarHBondContact N-O 2.84Å; G540-F563 VanDerWaalsContact C-CD2 3.43Å; G540-F563 VanDerWaalsContact CA-CE2 3.48Å; G540-F563 WeakPolarHBondContact O-CD2 3.38Å; G540-F563 PolarHBondContact O-N 3.44Å
541F97.1Very high94.4Very high3 Ų342.5 Ų42.51%0.01322%0.217CC..SBendtrans-94.381.3-170.8-65-77.7000111.2F459 L469 H473 F476 L477 W517 F518 V521 W533 I539 F563F459-F541 HydrophobicContact CD2-CE2 4.4Å; F459-F541 HydrophobicContact CD2-CZ 4.32Å; F459-F541 AromaticContact CE2-CE2 3.81Å; F459-F541 HydrophobicContact CE2-CE2 3.81Å; F459-F541 AromaticContact CE2-CZ 3.9Å; F459-F541 HydrophobicContact CE2-CZ 3.9Å; F459-F541 HydrophobicContact CZ-CE2 4.48Å; L469-F541 HydrophobicContact CD2-CD2 3.77Å; L469-F541 HydrophobicContact CD2-CE2 3.38Å; L469-F541 HydrophobicContact CD2-CZ 4.09Å; H473-F541 HydrophobicContact CB-CB 3.63Å; H473-F541 HydrophobicContact CB-CD2 4.08Å; H473-F541 HydrophobicContact CB-CG 4.06Å; H473-F541 AromaticContact CG-CD2 3.92Å; H473-F541 AromaticContact ND1-CD2 3.87Å; F476-F541 HydrophobicContact CD1-CB 3.66Å; F476-F541 HydrophobicContact CD1-CD1 4.05Å; F476-F541 HydrophobicContact CD1-CG 4.37Å; F476-F541 HydrophobicContact CE1-CB 4.2Å; F476-F541 HydrophobicContact CE1-CD1 4.07Å; F476-F541 HydrophobicContact CG-CB 4.44Å; L477-F541 HydrophobicContact CD1-CD1 4.46Å; L477-F541 HydrophobicContact CD2-CD1 3.78Å; L477-F541 HydrophobicContact CD2-CE1 3.91Å; L477-F541 HydrophobicContact CG-CD1 4.16Å; W517-F541 AromaticContact CH2-CD1 3.89Å; W517-F541 HydrophobicContact CH2-CD1 3.89Å; W517-F541 AromaticContact CH2-CE1 3.77Å; W517-F541 HydrophobicContact CH2-CE1 3.77Å; W517-F541 HydrophobicContact CZ3-CE1 4.43Å; F518-F541 HydrophobicContact CD2-CE1 4.11Å; F518-F541 HydrophobicContact CD2-CZ 4.43Å; F518-F541 AromaticContact CE2-CE1 3.94Å; F518-F541 HydrophobicContact CE2-CE1 3.94Å; F518-F541 AromaticContact CE2-CZ 3.92Å; F518-F541 HydrophobicContact CE2-CZ 3.92Å; V521-F541 HydrophobicContact CG1-CE1 4.22Å; V521-F541 HydrophobicContact CG1-CZ 3.81Å; W533-F541 AromaticContact CH2-CD2 3.88Å; W533-F541 HydrophobicContact CH2-CD2 3.88Å; W533-F541 AromaticContact CH2-CE2 3.78Å; W533-F541 HydrophobicContact CH2-CE2 3.78Å; W533-F541 HydrophobicContact CZ3-CD2 4.2Å; W533-F541 HydrophobicContact CZ3-CE2 4.09Å; I539-F541 PolarHBondContact O-N 2.82Å; F541-F563 HydrophobicContact CD1-CD2 4.4Å; F541-F563 HydrophobicContact CD2-CD2 4.31Å; F541-F563 HydrophobicContact CD2-CE2 4.13Å; F541-F563 HydrophobicContact CE1-CD2 4.2Å; F541-F563 HydrophobicContact CE2-CD2 4.12Å; F541-F563 AromaticContact CE2-CE2 3.7Å; F541-F563 HydrophobicContact CE2-CE2 3.7Å; F541-F563 HydrophobicContact CG-CD2 4.46Å; F541-F563 HydrophobicContact CZ-CD2 4.06Å; F541-F563 AromaticContact CZ-CE2 3.92Å; F541-F563 HydrophobicContact CZ-CE2 3.92Å
542I94.8Very high94.2Very high9 Ų942.9 Ų42.95%0.04621%0.214CC..  trans-151.4137.3-177.7-170.1173.9000112.3F476 I539 G540 Y546 V547 L550 L560 R562F476-I542 VanDerWaalsContact CE2-C 3.43Å; I539-I542 HydrophobicContact CB-CG2 4.46Å; I539-I542 HydrophobicContact CG2-CB 3.97Å; I539-I542 HydrophobicContact CG2-CD1 4.37Å; I539-I542 HydrophobicContact CG2-CG2 3.91Å; G540-I542 PolarHBondContact O-N 2.92Å; I542-Y546 HydrophobicContact CD1-CD1 3.65Å; I542-Y546 HydrophobicContact CD1-CE1 4.36Å; I542-Y546 HydrophobicContact CD1-CG 4.39Å; I542-Y546 HydrophobicContact CG1-CD1 3.85Å; I542-Y546 HydrophobicContact CG1-CG 4.49Å; I542-V547 HydrophobicContact CB-CG2 4.31Å; I542-V547 HydrophobicContact CD1-CG2 3.8Å; I542-V547 HydrophobicContact CG1-CG2 3.83Å; I542-V547 HydrophobicContact CG2-CG2 3.66Å; I542-L550 HydrophobicContact CD1-CD1 3.68Å; I542-L560 HydrophobicContact CG2-CD1 4.35Å; I542-R562 HydrophobicContact CG2-CB 3.55Å; I542-R562 HydrophobicContact CG2-CG 4.47Å
543S90.8Very high93.8Very high24 Ų2449.1 Ų49.117%0.16825%0.248CC..  trans-75.8149.3-178.674.70000112.4Q545 Y546 V547S543-Q545 PolarHBondContact O-N 2.89Å; S543-Y546 PolarHBondContact O-N 3.39Å; S543-Y546 VanDerWaalsContact O-N 3.13Å; S543-Y546 PolarHBondContact OG-N 3.22Å; S543-V547 VanDerWaalsContact O-CG2 3.3Å; S543-V547 WeakPolarHBondContact O-CG2 3.46Å; S543-V547 PolarHBondContact O-N 3.44Å
544K89.8Confident93.6Very high115 Ų11550.6 Ų50.650%0.526%0.255SS..Hα-helixtrans-53-37.2175.3-73.9-171.5176.1-172.20113T548K544-T548 PolarHBondContact O-N 2.8Å; K544-T548 VanDerWaalsContact O-N 3.14Å; K544-T548 PolarHBondContact O-OG1 3.37Å; K544-T548 VanDerWaalsContact O-OG1 3.08Å
545Q88.4Confident93.3Very high145 Ų14552.1 Ų52.168%0.67826%0.264SS*.Hα-helixtrans-64.9-48.4178.1-70.9170.2-22.100111.5S543 T548 S549S543-Q545 PolarHBondContact O-N 2.89Å; Q545-T548 WeakPolarHBondContact O-CB 3.01Å; Q545-T548 PolarHBondContact O-N 3.29Å; Q545-S549 PolarHBondContact O-N 3.25Å; Q545-S549 VanDerWaalsContact O-N 3.12Å; Q545-S549 PolarHBondContact O-OG 3.21Å
546Y89.7Confident93.2Very high129 Ų12950.8 Ų50.851%0.50626%0.257SS..Hα-helixtrans-69.6-36-178.3-165.2-132.2000112.1I542 S543 T548 S549 L550I542-Y546 HydrophobicContact CD1-CD1 3.65Å; I542-Y546 HydrophobicContact CD1-CE1 4.36Å; I542-Y546 HydrophobicContact CD1-CG 4.39Å; I542-Y546 HydrophobicContact CG1-CD1 3.85Å; I542-Y546 HydrophobicContact CG1-CG 4.49Å; S543-Y546 PolarHBondContact O-N 3.39Å; S543-Y546 VanDerWaalsContact O-N 3.13Å; S543-Y546 PolarHBondContact OG-N 3.22Å; Y546-T548 VanDerWaalsContact C-N 3.31Å; Y546-T548 PolarHBondContact O-N 2.77Å; Y546-S549 WeakPolarHBondContact CA-OG 3.39Å; Y546-S549 WeakPolarHBondContact CD2-OG 3.35Å; Y546-S549 PolarHBondContact O-N 2.64Å; Y546-S549 PolarHBondContact O-OG 2.91Å; Y546-L550 HydrophobicContact CD1-CD1 4.24Å; Y546-L550 HydrophobicContact CE1-CD1 4.09Å; Y546-L550 HydrophobicContact CE1-CG 4.44Å; Y546-L550 HydrophobicContact CE2-CD2 4.41Å; Y546-L550 WeakPolarHBondContact O-CG 3.36Å; Y546-L550 PolarHBondContact O-N 2.85Å
547V92.4Very high93.1Very high0 Ų047.2 Ų47.20%024%0.244CC..Hα-helixtrans-54.2-46.1169.2168.80000111.8I542 S543 L550 L551 L560 A574I542-V547 HydrophobicContact CB-CG2 4.31Å; I542-V547 HydrophobicContact CD1-CG2 3.8Å; I542-V547 HydrophobicContact CG1-CG2 3.83Å; I542-V547 HydrophobicContact CG2-CG2 3.66Å; S543-V547 VanDerWaalsContact O-CG2 3.3Å; S543-V547 WeakPolarHBondContact O-CG2 3.46Å; S543-V547 PolarHBondContact O-N 3.44Å; V547-L550 PolarHBondContact O-N 2.74Å; V547-L551 HydrophobicContact CG1-CD1 3.93Å; V547-L551 PolarHBondContact O-N 3.04Å; V547-L560 HydrophobicContact CG1-CD1 4.32Å; V547-L560 HydrophobicContact CG1-CD2 4.18Å; V547-L560 HydrophobicContact CG1-CG 4.45Å; V547-L560 HydrophobicContact CG2-CD1 3.97Å; V547-L560 HydrophobicContact CG2-CD2 4.27Å; V547-A574 HydrophobicContact CG1-CB 3.57Å
548T91.8Very high93Very high54 Ų5446.7 Ų46.733%0.33124%0.241SC..Hα-helixtrans-62.7-46.8177.9-62.70000111.2K544 Q545 Y546 L550 L551 L552 I586K544-T548 PolarHBondContact O-N 2.8Å; K544-T548 VanDerWaalsContact O-N 3.14Å; K544-T548 PolarHBondContact O-OG1 3.37Å; K544-T548 VanDerWaalsContact O-OG1 3.08Å; Q545-T548 WeakPolarHBondContact O-CB 3.01Å; Q545-T548 PolarHBondContact O-N 3.29Å; Y546-T548 VanDerWaalsContact C-N 3.31Å; Y546-T548 PolarHBondContact O-N 2.77Å; T548-L550 VanDerWaalsContact C-N 3.29Å; T548-L550 PolarHBondContact O-N 3.14Å; T548-L551 PolarHBondContact O-N 2.92Å; T548-L552 HydrophobicContact CG2-CD1 3.68Å; T548-L552 HydrophobicContact CG2-CG 3.95Å; T548-L552 WeakPolarHBondContact O-CB 3.39Å; T548-L552 WeakPolarHBondContact O-CG 3.42Å; T548-L552 PolarHBondContact O-N 3.43Å; T548-I586 HydrophobicContact CG2-CG1 4.15Å
549S91.1Very high93Very high61 Ų6146.3 Ų46.343%0.42724%0.239SC..Hα-helixtrans-63.6-30.1177.449.90000114.2Q545 Y546Q545-S549 PolarHBondContact O-N 3.25Å; Q545-S549 VanDerWaalsContact O-N 3.12Å; Q545-S549 PolarHBondContact O-OG 3.21Å; Y546-S549 WeakPolarHBondContact CA-OG 3.39Å; Y546-S549 WeakPolarHBondContact CD2-OG 3.35Å; Y546-S549 PolarHBondContact O-N 2.64Å; Y546-S549 PolarHBondContact O-OG 2.91Å
550L92.4Very high93.1Very high34 Ų3444.4 Ų44.418%0.17823%0.229CC..Hα-helixtrans-74.4-44175.2-68.6178.4000112.3I542 Y546 V547 T548 Y616I542-L550 HydrophobicContact CD1-CD1 3.68Å; Y546-L550 HydrophobicContact CD1-CD1 4.24Å; Y546-L550 HydrophobicContact CE1-CD1 4.09Å; Y546-L550 HydrophobicContact CE1-CG 4.44Å; Y546-L550 HydrophobicContact CE2-CD2 4.41Å; Y546-L550 WeakPolarHBondContact O-CG 3.36Å; Y546-L550 PolarHBondContact O-N 2.85Å; V547-L550 PolarHBondContact O-N 2.74Å; T548-L550 VanDerWaalsContact C-N 3.29Å; T548-L550 PolarHBondContact O-N 3.14Å; L550-Y616 HydrophobicContact CB-CE2 4.35Å
551L94.3Very high93.2Very high0 Ų044.4 Ų44.40%023%0.229CC..Hα-helixtrans-86.3-22.2-171.3-68.2179.1000114.9V547 T548 N553 E554 T558 L560 A574 V576 I586 Y616V547-L551 HydrophobicContact CG1-CD1 3.93Å; V547-L551 PolarHBondContact O-N 3.04Å; T548-L551 PolarHBondContact O-N 2.92Å; L551-N553 PolarHBondContact O-N 2.91Å; L551-E554 PolarHBondContact O-N 3.33Å; L551-T558 HydrophobicContact CD2-CG2 4.14Å; L551-L560 HydrophobicContact CD1-CD2 4.09Å; L551-L560 HydrophobicContact CD1-CG 4.2Å; L551-L560 HydrophobicContact CD2-CD2 4.21Å; L551-L560 HydrophobicContact CG-CD2 4.05Å; L551-A574 HydrophobicContact CD1-CB 4.26Å; L551-V576 HydrophobicContact CB-CB 4.4Å; L551-I586 HydrophobicContact CB-CD1 3.57Å; L551-I586 HydrophobicContact CD1-CG2 4.34Å; L551-Y616 HydrophobicContact CD2-CD2 4.32Å
552L91.6Very high93.2Very high62 Ų6244.5 Ų44.533%0.32523%0.23SC..THydrogen-bonded Turntrans-56.7-34.3-177.8-85.4169.8000113.9T548 R578 P584 I586T548-L552 HydrophobicContact CG2-CD1 3.68Å; T548-L552 HydrophobicContact CG2-CG 3.95Å; T548-L552 WeakPolarHBondContact O-CB 3.39Å; T548-L552 WeakPolarHBondContact O-CG 3.42Å; T548-L552 PolarHBondContact O-N 3.43Å; L552-R578 PolarHBondContact O-NH2 3.27Å; L552-P584 HydrophobicContact CD2-CB 4.07Å; L552-P584 HydrophobicContact CD2-CG 3.79Å; L552-I586 HydrophobicContact CD2-CG1 4.44Å; L552-I586 HydrophobicContact CG-CG1 4.47Å
553N89.2Confident93.4Very high144 Ų14444.1 Ų44.177%0.7723%0.228SC*.THydrogen-bonded Turntrans-93.8-7.7-176.6-67-33.6000113.8L551L551-N553 PolarHBondContact O-N 2.91Å
554E93.3Very high93.6Very high30 Ų3043.1 Ų43.114%0.1422%0.221CC..SBendtrans-84.6163.8-178.7-72.2-64.4173.500111.7L551 T558 R578 Y616L551-E554 PolarHBondContact O-N 3.33Å; E554-T558 HydrophobicContact CB-CG2 3.98Å; E554-T558 HydrophobicContact CG-CG2 4.34Å; E554-R578 PolarHBondContact O-NH2 3.13Å; E554-Y616 HydrophobicContact CG-CD2 4.35Å; E554-Y616 HydrophobicContact CG-CE2 4.37Å
555P91.9Very high93.7Very high68 Ų6838.7 Ų38.744%0.44220%0.202SC..PPolyproline II helixtrans-73.1156.8-179.928.5-32.9000112.2T558 V576P555-T558 VanDerWaalsContact O-CB 3.24Å; P555-T558 WeakPolarHBondContact O-CB 3.46Å; P555-T558 PolarHBondContact O-N 2.9Å; P555-T558 VanDerWaalsContact O-N 3.13Å; P555-T558 PolarHBondContact O-OG1 2.92Å; P555-V576 VanDerWaalsContact O-CG1 3.22Å; P555-V576 WeakPolarHBondContact O-CG1 3.31Å
556D93.7Very high93.9Very high51 Ų5134.3 Ų34.327%0.27319%0.188SC..THydrogen-bonded Turntrans-49.6136.7178.7176.875.6000113.1T558 I577 R578 K613D556-T558 VanDerWaalsContact C-N 3.29Å; D556-T558 PolarHBondContact O-N 3.35Å; D556-I577 WeakPolarHBondContact OD1-CA 3.35Å; D556-R578 HydrophobicContact CB-CB 4.38Å; D556-R578 HydrophobicContact CB-CG 4.35Å; D556-R578 PolarHBondContact OD1-N 2.7Å; D556-K613 IonicContact OD2-NZ 2.74Å; D556-K613 PolarHBondContact OD2-NZ 3.49Å
557G92.7Very high94.1Very high1 Ų131.5 Ų31.51%0.0118%0.18CC..THydrogen-bonded Turntrans75.311.1-176.500000115V576 Q611 K613 N614G557-V576 PolarHBondContact N-O 2.93Å; G557-Q611 WeakPolarHBondContact CA-O 3.46Å; G557-K613 PolarHBondContact O-N 3.47Å; G557-N614 PolarHBondContact O-N 3.31Å; G557-N614 VanDerWaalsContact O-N 3.15Å
558T97.3Very high94.2Very high1 Ų135.6 Ų35.61%0.00620%0.201CC..EExtended strand (participates in β ladder)trans-76.9133.1168.6-54.10000110.3L551 E554 P555 D556 H575 V576 N614L551-T558 HydrophobicContact CD2-CG2 4.14Å; E554-T558 HydrophobicContact CB-CG2 3.98Å; E554-T558 HydrophobicContact CG-CG2 4.34Å; P555-T558 VanDerWaalsContact O-CB 3.24Å; P555-T558 WeakPolarHBondContact O-CB 3.46Å; P555-T558 PolarHBondContact O-N 2.9Å; P555-T558 VanDerWaalsContact O-N 3.13Å; P555-T558 PolarHBondContact O-OG1 2.92Å; D556-T558 VanDerWaalsContact C-N 3.29Å; D556-T558 PolarHBondContact O-N 3.35Å; T558-H575 VanDerWaalsContact O-CA 3.28Å; T558-H575 WeakPolarHBondContact O-CA 3.25Å; T558-H575 WeakPolarHBondContact O-CB 3.43Å; T558-V576 PolarHBondContact O-N 3.5Å; T558-N614 CarbonylContact C-O 3.46Å; T558-N614 VanDerWaalsContact CA-O 3.29Å; T558-N614 WeakPolarHBondContact CA-O 3.31Å; T558-N614 HydrophobicContact CG2-CB 4.44Å
559F97.9Very high94.4Very high0 Ų033.4 Ų33.40%019%0.189CC..EExtended strand (participates in β ladder)trans-140.3160.8-172.574.1-86.7000113.5L561 I573 A574 H575 I606 L612 N614 L615 Y616 K621 F625F559-L561 HydrophobicContact CD2-CD2 4.42Å; F559-L561 HydrophobicContact CE2-CD2 4.37Å; F559-I573 HydrophobicContact CB-CG2 4.12Å; F559-I573 HydrophobicContact CD2-CG2 3.94Å; F559-I573 HydrophobicContact CG-CG2 4.37Å; F559-A574 CarbonylContact C-O 3.53Å; F559-A574 VanDerWaalsContact CA-O 3.23Å; F559-A574 WeakPolarHBondContact CA-O 2.89Å; F559-A574 WeakPolarHBondContact CB-O 3.4Å; F559-H575 HydrophobicContact CB-CB 3.56Å; F559-I606 HydrophobicContact CE2-CD1 4.42Å; F559-I606 HydrophobicContact CE2-CG2 4.25Å; F559-I606 HydrophobicContact CZ-CG2 3.89Å; F559-L612 HydrophobicContact CB-CD2 3.85Å; F559-L612 HydrophobicContact CD1-CB 3.77Å; F559-L612 HydrophobicContact CD1-CD2 4.1Å; F559-L612 HydrophobicContact CD1-CG 4.36Å; F559-L612 HydrophobicContact CD2-CD1 4.46Å; F559-L612 HydrophobicContact CE1-CB 3.81Å; F559-L612 HydrophobicContact CG-CB 4.39Å; F559-L612 HydrophobicContact CG-CD1 4.5Å; F559-L612 HydrophobicContact CG-CD2 3.96Å; F559-L612 HydrophobicContact CZ-CB 4.43Å; F559-N614 WeakPolarHBondContact CD1-O 3.36Å; F559-N614 PolarHBondContact N-O 2.69Å; F559-L615 HydrophobicContact CD2-CD1 4.13Å; F559-L615 HydrophobicContact CE1-CB 4.42Å; F559-L615 HydrophobicContact CE2-CD1 3.79Å; F559-L615 HydrophobicContact CZ-CB 4.17Å; F559-L615 HydrophobicContact CZ-CD1 4.28Å; F559-Y616 PolarHBondContact O-N 2.7Å; F559-K621 HydrophobicContact CE1-CB 4.33Å; F559-K621 HydrophobicContact CE1-CD 4.35Å; F559-K621 HydrophobicContact CE1-CG 4.24Å; F559-K621 HydrophobicContact CZ-CD 4.47Å; F559-K621 HydrophobicContact CZ-CG 4.18Å; F559-F625 AromaticContact CE2-CE2 3.94Å; F559-F625 HydrophobicContact CE2-CE2 3.94Å; F559-F625 HydrophobicContact CE2-CZ 4.28Å; F559-F625 HydrophobicContact CZ-CD2 4.39Å; F559-F625 AromaticContact CZ-CE2 3.7Å; F559-F625 HydrophobicContact CZ-CE2 3.7Å; F559-F625 HydrophobicContact CZ-CZ 4.47Å
560L97.9Very high94.7Very high1 Ų130.6 Ų30.61%0.00517%0.169CC..EExtended strand (participates in β ladder)trans-139.9160172.866.881000112I539 I542 V547 L551 R562 A574I539-L560 HydrophobicContact CD1-CB 3.95Å; I539-L560 HydrophobicContact CD1-CD1 4.45Å; I539-L560 HydrophobicContact CD1-CD2 4Å; I539-L560 HydrophobicContact CD1-CG 4.37Å; I542-L560 HydrophobicContact CG2-CD1 4.35Å; V547-L560 HydrophobicContact CG1-CD1 4.32Å; V547-L560 HydrophobicContact CG1-CD2 4.18Å; V547-L560 HydrophobicContact CG1-CG 4.45Å; V547-L560 HydrophobicContact CG2-CD1 3.97Å; V547-L560 HydrophobicContact CG2-CD2 4.27Å; L551-L560 HydrophobicContact CD1-CD2 4.09Å; L551-L560 HydrophobicContact CD1-CG 4.2Å; L551-L560 HydrophobicContact CD2-CD2 4.21Å; L551-L560 HydrophobicContact CG-CD2 4.05Å; L560-R562 HydrophobicContact CD1-CB 4.08Å; L560-R562 HydrophobicContact CD1-CG 4.33Å; L560-A574 HydrophobicContact CD1-CB 4.37Å; L560-A574 PolarHBondContact N-O 2.52Å; L560-A574 PolarHBondContact O-N 3.22Å; L560-A574 VanDerWaalsContact O-N 3.11Å
561L98.4Very high94.9Very high0 Ų029 Ų290%016%0.16CC..EExtended strand (participates in β ladder)trans-109123.9-179.4-57.3-178.9000110.6I538 I539 G540 F559 I571 I573 L602 I606 L615 F625I538-L561 HydrophobicContact CG1-CB 4.1Å; I538-L561 HydrophobicContact CG1-CD1 3.89Å; I539-L561 PolarHBondContact N-O 3.28Å; I539-L561 VanDerWaalsContact N-O 3.14Å; G540-L561 PolarHBondContact N-O 2.84Å; F559-L561 HydrophobicContact CD2-CD2 4.42Å; F559-L561 HydrophobicContact CE2-CD2 4.37Å; L561-I571 HydrophobicContact CB-CD1 4.4Å; L561-I573 HydrophobicContact CD2-CB 4.44Å; L561-I573 HydrophobicContact CD2-CD1 4.44Å; L561-I573 HydrophobicContact CD2-CG1 3.76Å; L561-I573 HydrophobicContact CD2-CG2 4.47Å; L561-L602 HydrophobicContact CD1-CD2 4.09Å; L561-I606 HydrophobicContact CD1-CD1 3.96Å; L561-I606 HydrophobicContact CD2-CD1 3.91Å; L561-L615 HydrophobicContact CG-CD1 4.48Å; L561-F625 HydrophobicContact CD1-CE1 3.87Å; L561-F625 HydrophobicContact CD1-CZ 3.7Å
562R97.8Very high95.1Very high5 Ų529.1 Ų29.12%0.01916%0.161CC..EExtended strand (participates in β ladder)trans-139.1153.1-178.471.2-172.6-166.97711.1112.1I542 L560 D565 I571 T572 N588I542-R562 HydrophobicContact CG2-CB 3.55Å; I542-R562 HydrophobicContact CG2-CG 4.47Å; L560-R562 HydrophobicContact CD1-CB 4.08Å; L560-R562 HydrophobicContact CD1-CG 4.33Å; R562-D565 IonicContact NH1-OD2 2.69Å; R562-D565 PolarHBondContact NH1-OD2 2.94Å; R562-I571 WeakPolarHBondContact O-CG1 3.48Å; R562-T572 HydrophobicContact CG-CG2 3.75Å; R562-T572 PolarHBondContact N-O 3.4Å; R562-T572 VanDerWaalsContact N-O 3.1Å; R562-T572 WeakPolarHBondContact O-CG2 3.47Å; R562-T572 PolarHBondContact O-N 3.18Å; R562-N588 PolarHBondContact NE-OD1 3.41Å; R562-N588 PolarHBondContact NH2-OD1 3.11Å
563F98.3Very high95.4Very high2 Ų226.1 Ų26.11%0.00915%0.146CC..EExtended strand (participates in β ladder)trans-72.4152.7174.4-61.2-57.9000111V521 L524 T525 L529 W533 I538 G540 F541 I571V521-F563 HydrophobicContact CG1-CD1 3.88Å; V521-F563 HydrophobicContact CG1-CD2 3.47Å; V521-F563 VanDerWaalsContact CG1-CD2 3.47Å; V521-F563 HydrophobicContact CG1-CE1 3.86Å; V521-F563 HydrophobicContact CG1-CE2 3.45Å; V521-F563 VanDerWaalsContact CG1-CE2 3.45Å; V521-F563 HydrophobicContact CG1-CG 3.71Å; V521-F563 HydrophobicContact CG1-CZ 3.66Å; V521-F563 HydrophobicContact CG2-CB 3.97Å; V521-F563 HydrophobicContact CG2-CD1 4.26Å; V521-F563 HydrophobicContact CG2-CD2 4.37Å; V521-F563 HydrophobicContact CG2-CG 3.95Å; L524-F563 HydrophobicContact CD2-CD1 4.33Å; L524-F563 HydrophobicContact CD2-CE1 4.36Å; T525-F563 WeakPolarHBondContact OG1-CZ 3.36Å; L529-F563 HydrophobicContact CD1-CE1 3.86Å; W533-F563 HydrophobicContact CE3-CZ 4.4Å; W533-F563 HydrophobicContact CZ3-CE2 4.08Å; W533-F563 HydrophobicContact CZ3-CZ 4.4Å; I538-F563 HydrophobicContact CG2-CZ 4.25Å; G540-F563 VanDerWaalsContact C-CD2 3.43Å; G540-F563 VanDerWaalsContact CA-CE2 3.48Å; G540-F563 WeakPolarHBondContact O-CD2 3.38Å; G540-F563 PolarHBondContact O-N 3.44Å; F541-F563 HydrophobicContact CD1-CD2 4.4Å; F541-F563 HydrophobicContact CD2-CD2 4.31Å; F541-F563 HydrophobicContact CD2-CE2 4.13Å; F541-F563 HydrophobicContact CE1-CD2 4.2Å; F541-F563 HydrophobicContact CE2-CD2 4.12Å; F541-F563 AromaticContact CE2-CE2 3.7Å; F541-F563 HydrophobicContact CE2-CE2 3.7Å; F541-F563 HydrophobicContact CG-CD2 4.46Å; F541-F563 HydrophobicContact CZ-CD2 4.06Å; F541-F563 AromaticContact CZ-CE2 3.92Å; F541-F563 HydrophobicContact CZ-CE2 3.92Å; F563-I571 HydrophobicContact CD1-CB 4.37Å; F563-I571 HydrophobicContact CE1-CD1 4.29Å
564S96.2Very high95.8Very high3 Ų319.3 Ų19.32%0.02111%0.109CC..  trans-72133.8177.2-1730000110.8W517 S566 E567 G570 P591W517-S564 PolarHBondContact NE1-O 2.76Å; S564-S566 VanDerWaalsContact C-N 3.34Å; S564-S566 PolarHBondContact OG-N 2.58Å; S564-S566 PolarHBondContact OG-OG 2.87Å; S564-E567 PolarHBondContact OG-N 2.73Å; S564-G570 PolarHBondContact N-O 2.88Å; S564-P591 WeakPolarHBondContact OG-CG 3.33Å
565D92.4Very high95.9Very high21 Ų2118 Ų1811%0.11210%0.103CC..SBendtrans-77.7-22.3169.5-64.5-75.9000112.6F476 K480 R510 R562F476-D565 WeakPolarHBondContact CZ-OD1 3.41Å; K480-D565 IonicContact NZ-OD1 3.61Å; K480-D565 PolarHBondContact NZ-OD1 2.91Å; R510-D565 PolarHBondContact NE-O 3.37Å; R510-D565 PolarHBondContact NH2-O 2.83Å; R562-D565 IonicContact NH1-OD2 2.69Å; R562-D565 PolarHBondContact NH1-OD2 2.94Å
566S91.1Very high96.1Very high53 Ų5314.8 Ų14.837%0.3718%0.082SC..SBendtrans-104.6-18.4-169.945.60000114.2F512 S564F512-S566 WeakPolarHBondContact CE1-O 3.49Å; S564-S566 VanDerWaalsContact C-N 3.34Å; S564-S566 PolarHBondContact OG-N 2.58Å; S564-S566 PolarHBondContact OG-OG 2.87Å
567E93.9Very high96Very high71 Ų7114 Ų1433%0.3328%0.077SC..SBendtrans-127.9129.3-174.4-71.2158.1-121.100110.8S564 G569 G570 P591S564-E567 PolarHBondContact OG-N 2.73Å; E567-G569 PolarHBondContact O-N 3.24Å; E567-G570 PolarHBondContact O-N 3.01Å; E567-P591 WeakPolarHBondContact OE1-CD 3.27Å; E567-P591 VanDerWaalsContact OE1-CG 3.3Å; E567-P591 WeakPolarHBondContact OE1-CG 3.48Å
568I95.5Very high95.6Very high86 Ų8618.1 Ų18.144%0.4419%0.093SC..THydrogen-bonded Turntrans-66.3119.6175.6-59.3175.4000108.5F512 Q516F512-I568 HydrophobicContact CB-CD1 3.79Å; F512-I568 HydrophobicContact CB-CG1 4.36Å; F512-I568 HydrophobicContact CD1-CD1 3.72Å; F512-I568 HydrophobicContact CD1-CG1 3.61Å; F512-I568 HydrophobicContact CD2-CG1 4.33Å; F512-I568 HydrophobicContact CE1-CD1 4.43Å; F512-I568 HydrophobicContact CE1-CG1 3.83Å; F512-I568 HydrophobicContact CG-CD1 3.83Å; F512-I568 HydrophobicContact CG-CG1 3.86Å; F512-I568 HydrophobicContact CZ-CG1 4.28Å; Q516-I568 WeakPolarHBondContact O-CG2 3.43Å
569G95.1Very high94.7Very high8 Ų819.9 Ų19.98%0.08211%0.112CC..THydrogen-bonded Turntrans6737.4178.300000114.5G520 L524 E567G520-G569 VanDerWaalsContact O-CA 3.23Å; G520-G569 WeakPolarHBondContact O-CA 3.42Å; L524-G569 WeakPolarHBondContact CD1-O 3.07Å; L524-G569 WeakPolarHBondContact CD2-O 3.25Å; E567-G569 PolarHBondContact O-N 3.24Å
570G97.1Very high93.6Very high1 Ų130.1 Ų30.11%0.0116%0.159CC..EExtended strand (participates in β ladder)trans-107.4147167.800000113.5S564 E567 F592S564-G570 PolarHBondContact N-O 2.88Å; E567-G570 PolarHBondContact O-N 3.01Å; G570-F592 WeakPolarHBondContact CA-O 3.41Å
571I98.3Very high92.7Very high0 Ų036.4 Ų36.40%019%0.193CC..EExtended strand (participates in β ladder)trans-121.4135169.9-175162.1000110.7L524 L529 I538 L561 R562 F563 P591 F592 L597 L602L524-I571 HydrophobicContact CD2-CB 3.92Å; L524-I571 HydrophobicContact CD2-CG2 4.07Å; L529-I571 HydrophobicContact CD1-CB 4.24Å; L529-I571 HydrophobicContact CD1-CD1 3.61Å; L529-I571 HydrophobicContact CD1-CG2 4.18Å; L529-I571 HydrophobicContact CD2-CD1 4.27Å; L529-I571 HydrophobicContact CD2-CG2 4.42Å; I538-I571 HydrophobicContact CD1-CD1 3.85Å; I538-I571 HydrophobicContact CG1-CD1 4.25Å; I538-I571 HydrophobicContact CG2-CD1 4.35Å; L561-I571 HydrophobicContact CB-CD1 4.4Å; R562-I571 WeakPolarHBondContact O-CG1 3.48Å; F563-I571 HydrophobicContact CD1-CB 4.37Å; F563-I571 HydrophobicContact CE1-CD1 4.29Å; I571-P591 CarbonylContact O-C 3.6Å; I571-P591 WeakPolarHBondContact O-CA 3.46Å; I571-F592 HydrophobicContact CG2-CB 4.32Å; I571-F592 PolarHBondContact N-O 3.28Å; I571-F592 PolarHBondContact O-N 2.95Å; I571-L597 HydrophobicContact CG2-CD1 4.02Å; I571-L602 HydrophobicContact CD1-CD2 3.96Å; I571-L602 HydrophobicContact CG2-CD2 4.49Å
572T97.9Very high91.6Very high3 Ų338.1 Ų38.12%0.01821%0.211CC..EExtended strand (participates in β ladder)trans-125.4149-174.7167.60000111.2R562 I589 P591R562-T572 HydrophobicContact CG-CG2 3.75Å; R562-T572 PolarHBondContact N-O 3.4Å; R562-T572 VanDerWaalsContact N-O 3.1Å; R562-T572 WeakPolarHBondContact O-CG2 3.47Å; R562-T572 PolarHBondContact O-N 3.18Å; T572-I589 WeakPolarHBondContact CB-O 3.44Å; T572-I589 PolarHBondContact OG1-O 2.92Å; T572-P591 HydrophobicContact CG2-CG 4.46Å
573I97.9Very high91Very high0 Ų040.1 Ų40.10%023%0.228CC..EExtended strand (participates in β ladder)trans-97.8125.2173.8-50.8-179.2000107.6F559 L561 N588 I589 F592 I606 L609 L612F559-I573 HydrophobicContact CB-CG2 4.12Å; F559-I573 HydrophobicContact CD2-CG2 3.94Å; F559-I573 HydrophobicContact CG-CG2 4.37Å; L561-I573 HydrophobicContact CD2-CB 4.44Å; L561-I573 HydrophobicContact CD2-CD1 4.44Å; L561-I573 HydrophobicContact CD2-CG1 3.76Å; L561-I573 HydrophobicContact CD2-CG2 4.47Å; I573-N588 WeakPolarHBondContact O-CA 2.78Å; I573-I589 HydrophobicContact CB-CB 4.32Å; I573-I589 HydrophobicContact CB-CD1 4.18Å; I573-I589 HydrophobicContact CD1-CD1 4.38Å; I573-I589 HydrophobicContact CG2-CD1 4.49Å; I573-I589 PolarHBondContact O-N 3.36Å; I573-F592 HydrophobicContact CD1-CE2 3.99Å; I573-F592 HydrophobicContact CG1-CE2 4.1Å; I573-I606 HydrophobicContact CD1-CG1 3.85Å; I573-L609 HydrophobicContact CD1-CD1 4.11Å; I573-L612 HydrophobicContact CD1-CD1 3.92Å; I573-L612 HydrophobicContact CG2-CD1 4.12Å; I573-L612 HydrophobicContact CG2-CD2 4.1Å
574A97.3Very high90.6Very high0 Ų042.2 Ų42.20%024%0.242CC..EExtended strand (participates in β ladder)trans-109.8133.6167.200000109.1V547 L551 F559 L560 E587V547-A574 HydrophobicContact CG1-CB 3.57Å; L551-A574 HydrophobicContact CD1-CB 4.26Å; F559-A574 CarbonylContact C-O 3.53Å; F559-A574 VanDerWaalsContact CA-O 3.23Å; F559-A574 WeakPolarHBondContact CA-O 2.89Å; F559-A574 WeakPolarHBondContact CB-O 3.4Å; L560-A574 HydrophobicContact CD1-CB 4.37Å; L560-A574 PolarHBondContact N-O 2.52Å; L560-A574 PolarHBondContact O-N 3.22Å; L560-A574 VanDerWaalsContact O-N 3.11Å; A574-E587 WeakPolarHBondContact CA-O 3.07Å
575H96Very high90.3Very high4 Ų447.6 Ų47.62%0.01927%0.267CS..EExtended strand (participates in β ladder)trans-143.3153-178.966.4109.1000112.6T558 F559 I586 E587 L612T558-H575 VanDerWaalsContact O-CA 3.28Å; T558-H575 WeakPolarHBondContact O-CA 3.25Å; T558-H575 WeakPolarHBondContact O-CB 3.43Å; F559-H575 HydrophobicContact CB-CB 3.56Å; H575-I586 WeakPolarHBondContact O-CA 3.37Å; H575-E587 PolarHBondContact N-O 2.79Å; H575-E587 PolarHBondContact O-N 2.85Å; H575-L612 HydrophobicContact CB-CD2 3.86Å
576V95.2Very high90.4Very high0 Ų048 Ų480%027%0.269CS..EExtended strand (participates in β ladder)trans-88133.6169.9610000110.3L551 P555 G557 T558 P584 Q585 I586L551-V576 HydrophobicContact CB-CB 4.4Å; P555-V576 VanDerWaalsContact O-CG1 3.22Å; P555-V576 WeakPolarHBondContact O-CG1 3.31Å; G557-V576 PolarHBondContact N-O 2.93Å; T558-V576 PolarHBondContact O-N 3.5Å; V576-P584 HydrophobicContact CG2-CB 3.86Å; V576-Q585 WeakPolarHBondContact CA-O 3.39Å; V576-I586 HydrophobicContact CB-CD1 3.64Å; V576-I586 HydrophobicContact CG2-CD1 3.88Å
577I90.9Very high90.5Very high33 Ų3347.2 Ų47.217%0.16926%0.259CS..EExtended strand (participates in β ladder)trans-114.7143.7163.4-51.3-179.4000107.2D556 Q585 E587D556-I577 WeakPolarHBondContact OD1-CA 3.35Å; I577-Q585 PolarHBondContact N-O 2.73Å; I577-Q585 PolarHBondContact O-N 3.03Å; I577-E587 HydrophobicContact CD1-CB 4.45Å; I577-E587 HydrophobicContact CD1-CG 4.09Å; I577-E587 WeakPolarHBondContact CD1-OE2 3.45Å
578R86.3Confident90.5Very high88 Ų8846.9 Ų46.933%0.33226%0.26SS..EExtended strand (participates in β ladder)trans-106.8129.8166.9-67.1-177.4-177.6-85.5-7.6110.8L552 E554 D556 G582 A583 P584L552-R578 PolarHBondContact O-NH2 3.27Å; E554-R578 PolarHBondContact O-NH2 3.13Å; D556-R578 HydrophobicContact CB-CB 4.38Å; D556-R578 HydrophobicContact CB-CG 4.35Å; D556-R578 PolarHBondContact OD1-N 2.7Å; R578-G582 PolarHBondContact NH1-O 2.71Å; R578-A583 WeakPolarHBondContact CA-O 3.37Å; R578-P584 HydrophobicContact CG-CB 4.45Å
579G77.4Confident90.5Very high39 Ų3943.6 Ų43.640%0.40224%0.243SC..  trans-69.8176.9175.600000112.8D581 G582 A583G579-D581 VanDerWaalsContact C-OD1 3.29Å; G579-D581 VanDerWaalsContact CA-OD1 3.25Å; G579-D581 WeakPolarHBondContact CA-OD1 3.42Å; G579-D581 PolarHBondContact O-N 2.9Å; G579-G582 WeakPolarHBondContact O-CA 3.19Å; G579-G582 PolarHBondContact O-N 2.95Å; G579-A583 PolarHBondContact N-O 3.26Å; G579-A583 VanDerWaalsContact N-O 3.13Å
580Q75.3Confident90.5Very high215 Ų21550.6 Ų50.6100%1.00527%0.274SS*.THydrogen-bonded Turntrans-64.8-22.2174.9-64.2-178.8-0.300112.4G582Q580-G582 VanDerWaalsContact C-N 3.31Å
581D78.3Confident90.5Very high132 Ų13251.5 Ų51.571%0.70628%0.279SS*.THydrogen-bonded Turntrans-81.1-3.2170.460.7-18.7000113.7G579 A583G579-D581 VanDerWaalsContact C-OD1 3.29Å; G579-D581 VanDerWaalsContact CA-OD1 3.25Å; G579-D581 WeakPolarHBondContact CA-OD1 3.42Å; G579-D581 PolarHBondContact O-N 2.9Å; D581-A583 PolarHBondContact O-N 2.86Å; D581-A583 PolarHBondContact OD1-N 3.36Å; D581-A583 WeakPolarHBondContact OD2-CB 3.36Å
582G76.3Confident90.5Very high37 Ų3751.9 Ų51.938%0.38128%0.281SS..  trans77.9-3.9-179.600000115.2R578 G579 Q580R578-G582 PolarHBondContact NH1-O 2.71Å; G579-G582 WeakPolarHBondContact O-CA 3.19Å; G579-G582 PolarHBondContact O-N 2.95Å; Q580-G582 VanDerWaalsContact C-N 3.31Å
583A85.1Confident90.5Very high46 Ų4653.4 Ų53.438%0.3829%0.291SS..  trans-64.8129.3-178.700000111R578 G579 D581R578-A583 WeakPolarHBondContact CA-O 3.37Å; G579-A583 PolarHBondContact N-O 3.26Å; G579-A583 VanDerWaalsContact N-O 3.13Å; D581-A583 PolarHBondContact O-N 2.86Å; D581-A583 PolarHBondContact OD1-N 3.36Å; D581-A583 WeakPolarHBondContact OD2-CB 3.36Å
584P89Confident90.4Very high46 Ų4654.4 Ų54.430%0.29930%0.3SS..EExtended strand (participates in β ladder)trans-80.6119.8177.530.1-31.1000111.6L552 V576 R578L552-P584 HydrophobicContact CD2-CB 4.07Å; L552-P584 HydrophobicContact CD2-CG 3.79Å; V576-P584 HydrophobicContact CG2-CB 3.86Å; R578-P584 HydrophobicContact CG-CB 4.45Å
585Q90.8Very high90.3Very high117 Ų11762.3 Ų62.355%0.54733%0.334SS..EExtended strand (participates in β ladder)trans-110.3134.8171.2-175.1173.5-1.300109.9V576 I577 E587V576-Q585 WeakPolarHBondContact CA-O 3.39Å; I577-Q585 PolarHBondContact N-O 2.73Å; I577-Q585 PolarHBondContact O-N 3.03Å; Q585-E587 HydrophobicContact CG-CG 4.37Å
586I93.3Very high90.2Very high30 Ų3064.8 Ų64.815%0.15435%0.347CS..EExtended strand (participates in β ladder)trans-98.3108.5177-52.3-52.2000109.7T548 L551 L552 H575 V576T548-I586 HydrophobicContact CG2-CG1 4.15Å; L551-I586 HydrophobicContact CB-CD1 3.57Å; L551-I586 HydrophobicContact CD1-CG2 4.34Å; L552-I586 HydrophobicContact CD2-CG1 4.44Å; L552-I586 HydrophobicContact CG-CG1 4.47Å; H575-I586 WeakPolarHBondContact O-CA 3.37Å; V576-I586 HydrophobicContact CB-CD1 3.64Å; V576-I586 HydrophobicContact CG2-CD1 3.88Å
587E93.1Very high90.3Very high36 Ų3665.4 Ų65.417%0.16835%0.351CS..EExtended strand (participates in β ladder)trans-94.7145.9175.5-66.9-171.3-166.400110.6A574 H575 I577 Q585 R652A574-E587 WeakPolarHBondContact CA-O 3.07Å; H575-E587 PolarHBondContact N-O 2.79Å; H575-E587 PolarHBondContact O-N 2.85Å; I577-E587 HydrophobicContact CD1-CB 4.45Å; I577-E587 HydrophobicContact CD1-CG 4.09Å; I577-E587 WeakPolarHBondContact CD1-OE2 3.45Å; Q585-E587 HydrophobicContact CG-CG 4.37Å; E587-R652 IonicContact OE1-CZ 2.74Å; E587-R652 IonicContact OE1-NH1 3.16Å; E587-R652 PolarHBondContact OE1-NH1 3.49Å; E587-R652 IonicContact OE1-NH2 3.14Å; E587-R652 PolarHBondContact OE1-NH2 3.48Å; E587-R652 IonicContact OE2-NH1 2.72Å; E587-R652 IonicContact OE2-NH2 2.72Å
588N94.4Very high90.4Very high63 Ų6368.3 Ų68.334%0.33737%0.374SS..EExtended strand (participates in β ladder)trans-125.1111.6-179.5-80.5-118.5000108R562 I573R562-N588 PolarHBondContact NE-OD1 3.41Å; R562-N588 PolarHBondContact NH2-OD1 3.11Å; I573-N588 WeakPolarHBondContact O-CA 2.78Å
589I95.3Very high90.8Very high18 Ų1869.6 Ų69.69%0.09239%0.386CS..PPolyproline II helixtrans-69.4142.6177.4-64.3175.8000109.1T572 I573 F592 L609 M648 V650T572-I589 WeakPolarHBondContact CB-O 3.44Å; T572-I589 PolarHBondContact OG1-O 2.92Å; I573-I589 HydrophobicContact CB-CB 4.32Å; I573-I589 HydrophobicContact CB-CD1 4.18Å; I573-I589 HydrophobicContact CD1-CD1 4.38Å; I573-I589 HydrophobicContact CG2-CD1 4.49Å; I573-I589 PolarHBondContact O-N 3.36Å; I589-F592 HydrophobicContact CG2-CE1 4.32Å; I589-F592 HydrophobicContact CG2-CZ 3.86Å; I589-L609 HydrophobicContact CD1-CD1 3.73Å; I589-M648 HydrophobicContact CG2-CE 3.71Å; I589-V650 HydrophobicContact CD1-CG2 4.42Å
590Q95.4Very high91.6Very high155 Ų15569.4 Ų69.472%0.72437%0.373SS*.PPolyproline II helixtrans-50136.9177.5-176.6176.8-800110.8
591P97.3Very high92.6Very high19 Ų1959.9 Ų59.912%0.12333%0.331CS..PPolyproline II helixtrans-62.2142.9-177.9-21.233.3000112.9S564 E567 I571 T572S564-P591 WeakPolarHBondContact OG-CG 3.33Å; E567-P591 WeakPolarHBondContact OE1-CD 3.27Å; E567-P591 VanDerWaalsContact OE1-CG 3.3Å; E567-P591 WeakPolarHBondContact OE1-CG 3.48Å; I571-P591 CarbonylContact O-C 3.6Å; I571-P591 WeakPolarHBondContact O-CA 3.46Å; T572-P591 HydrophobicContact CG2-CG 4.46Å
592F97.8Very high93.5Very high9 Ų953.8 Ų53.84%0.03930%0.298CS..EExtended strand (participates in β ladder)trans-92.4123172.1-50-56000109.5G570 I571 I573 I589 D596 L597 L602 M648G570-F592 WeakPolarHBondContact CA-O 3.41Å; I571-F592 HydrophobicContact CG2-CB 4.32Å; I571-F592 PolarHBondContact N-O 3.28Å; I571-F592 PolarHBondContact O-N 2.95Å; I573-F592 HydrophobicContact CD1-CE2 3.99Å; I573-F592 HydrophobicContact CG1-CE2 4.1Å; I589-F592 HydrophobicContact CG2-CE1 4.32Å; I589-F592 HydrophobicContact CG2-CZ 3.86Å; F592-D596 HydrophobicContact CB-CB 4.07Å; F592-D596 HydrophobicContact CD1-CB 4.44Å; F592-L597 HydrophobicContact CB-CD2 3.77Å; F592-L597 HydrophobicContact CB-CG 4.04Å; F592-L597 HydrophobicContact CD2-CD2 4.41Å; F592-L597 HydrophobicContact CG-CD2 4.29Å; F592-L602 HydrophobicContact CD2-CD1 3.94Å; F592-L602 HydrophobicContact CE2-CD1 4.11Å; F592-M648 HydrophobicContact CE1-CE 3.73Å; F592-M648 HydrophobicContact CE1-SD 3.61Å; F592-M648 HydrophobicContact CZ-CE 3.7Å; F592-M648 HydrophobicContact CZ-SD 3.59Å; F592-M648 VanDerWaalsContact CZ-SD 3.59Å
593S97.3Very high94.5Very high34 Ų3452 Ų5224%0.23828%0.28CS..EExtended strand (participates in β ladder)trans-80.8172.9170.278.20000111.3K595 D596 L597S593-K595 PolarHBondContact O-N 2.79Å; S593-K595 VanDerWaalsContact O-N 3.12Å; S593-K595 PolarHBondContact OG-N 2.88Å; S593-K595 VanDerWaalsContact OG-N 3.16Å; S593-D596 WeakPolarHBondContact CA-OD2 3.42Å; S593-D596 VanDerWaalsContact CB-OD2 3.25Å; S593-D596 WeakPolarHBondContact CB-OD2 3.46Å; S593-D596 PolarHBondContact N-OD2 2.82Å; S593-D596 PolarHBondContact O-N 3.25Å; S593-D596 VanDerWaalsContact O-N 3.08Å; S593-D596 PolarHBondContact OG-OD2 2.85Å; S593-L597 WeakPolarHBondContact O-CG 3.41Å; S593-L597 PolarHBondContact O-N 2.9Å; S593-L597 VanDerWaalsContact O-N 3.07Å
594A95.7Very high95Very high22 Ų2250 Ų5018%0.18226%0.263CS..Hα-helixtrans-58-22.5171.400000113.8L524 S598L524-A594 HydrophobicContact CD1-CB 4Å; A594-S598 PolarHBondContact O-N 3.28Å
595K95.2Very high95.3Very high165 Ų16549.2 Ų49.272%0.71725%0.254SS*.Hα-helixtrans-73.7-44.7173.3-61.8179.1179.7177.30111.2S593 L597 S598 I599S593-K595 PolarHBondContact O-N 2.79Å; S593-K595 VanDerWaalsContact O-N 3.12Å; S593-K595 PolarHBondContact OG-N 2.88Å; S593-K595 VanDerWaalsContact OG-N 3.16Å; K595-L597 VanDerWaalsContact C-N 3.29Å; K595-L597 PolarHBondContact O-N 3.48Å; K595-S598 PolarHBondContact O-N 3.31Å; K595-S598 VanDerWaalsContact O-N 3.16Å; K595-S598 PolarHBondContact O-OG 3.04Å; K595-I599 WeakPolarHBondContact O-CG1 3.12Å; K595-I599 PolarHBondContact O-N 2.67Å
596D95.5Very high95.6Very high56 Ų5643.6 Ų43.630%0.29923%0.228SC..Hα-helixtrans-65.5-37.4-179.2-53.7-70.2000111.4F592 S593 I599 R600 R605F592-D596 HydrophobicContact CB-CB 4.07Å; F592-D596 HydrophobicContact CD1-CB 4.44Å; S593-D596 WeakPolarHBondContact CA-OD2 3.42Å; S593-D596 VanDerWaalsContact CB-OD2 3.25Å; S593-D596 WeakPolarHBondContact CB-OD2 3.46Å; S593-D596 PolarHBondContact N-OD2 2.82Å; S593-D596 PolarHBondContact O-N 3.25Å; S593-D596 VanDerWaalsContact O-N 3.08Å; S593-D596 PolarHBondContact OG-OD2 2.85Å; D596-I599 PolarHBondContact O-N 3.17Å; D596-R600 PolarHBondContact O-N 3.17Å; D596-R600 VanDerWaalsContact O-N 3.16Å; D596-R600 VanDerWaalsContact O-O 3.14Å; D596-R605 PolarHBondContact O-NE 2.71Å; D596-R605 PolarHBondContact O-NH2 2.99Å
597L95.9Very high95.7Very high13 Ų1344.5 Ų44.57%0.06823%0.229CC..Hα-helixtrans-73.5-22.5176-62.5-174.5000113.7L524 C528 L529 I571 F592 S593 K595 R600 L602L524-L597 HydrophobicContact CD1-CD1 3.95Å; C528-L597 HydrophobicContact CB-CB 4.19Å; C528-L597 HydrophobicContact CB-CD1 3.66Å; L529-L597 HydrophobicContact CD2-CD1 3.81Å; L529-L597 HydrophobicContact CG-CD1 4.42Å; I571-L597 HydrophobicContact CG2-CD1 4.02Å; F592-L597 HydrophobicContact CB-CD2 3.77Å; F592-L597 HydrophobicContact CB-CG 4.04Å; F592-L597 HydrophobicContact CD2-CD2 4.41Å; F592-L597 HydrophobicContact CG-CD2 4.29Å; S593-L597 WeakPolarHBondContact O-CG 3.41Å; S593-L597 PolarHBondContact O-N 2.9Å; S593-L597 VanDerWaalsContact O-N 3.07Å; K595-L597 VanDerWaalsContact C-N 3.29Å; K595-L597 PolarHBondContact O-N 3.48Å; L597-R600 WeakPolarHBondContact CA-O 3.41Å; L597-R600 CarbonylContact O-C 3.59Å; L597-L602 HydrophobicContact CD2-CB 3.91Å; L597-L602 HydrophobicContact CD2-CD1 4.42Å
598S94.6Very high95.8Very high94 Ų9444 Ų4466%0.65723%0.228SC*.Hα-helixtrans-77.5-32.3172.675.30000112.3A594 K595A594-S598 PolarHBondContact O-N 3.28Å; K595-S598 PolarHBondContact O-N 3.31Å; K595-S598 VanDerWaalsContact O-N 3.16Å; K595-S598 PolarHBondContact O-OG 3.04Å
599I94.3Very high95.8Very high116 Ų11641 Ų4160%0.59521%0.212SC*.Hα-helixtrans-67.7-49.4173.1-63164.9000111K595 D596K595-I599 WeakPolarHBondContact O-CG1 3.12Å; K595-I599 PolarHBondContact O-N 2.67Å; D596-I599 PolarHBondContact O-N 3.17Å
600R94.2Very high95.6Very high34 Ų3443.7 Ų43.713%0.12824%0.236CC..SBendtrans-148.3130.5177.2-170.6170.6-178.678.2-2110.1D596 L597 D604 R605 D608 I646D596-R600 PolarHBondContact O-N 3.17Å; D596-R600 VanDerWaalsContact O-N 3.16Å; D596-R600 VanDerWaalsContact O-O 3.14Å; L597-R600 WeakPolarHBondContact CA-O 3.41Å; L597-R600 CarbonylContact O-C 3.59Å; R600-D604 HydrophobicContact CG-CB 3.82Å; R600-R605 HydrophobicContact CB-CG 4.29Å; R600-R605 HydrophobicContact CG-CG 4.1Å; R600-R605 PolarHBondContact O-NE 3.47Å; R600-D608 IonicContact CZ-OD1 3.89Å; R600-D608 IonicContact CZ-OD2 2.72Å; R600-D608 VanDerWaalsContact CZ-OD2 3.28Å; R600-D608 IonicContact NE-OD1 3.96Å; R600-D608 IonicContact NE-OD2 2.79Å; R600-D608 PolarHBondContact NE-OD2 3.09Å; R600-D608 VanDerWaalsContact NH2-CG 3.31Å; R600-D608 IonicContact NH2-OD1 3.83Å; R600-D608 PolarHBondContact NH2-OD1 2.96Å; R600-D608 IonicContact NH2-OD2 3.67Å; R600-D608 PolarHBondContact NH2-OD2 2.99Å; R600-D608 VanDerWaalsContact NH2-OD2 3.13Å; R600-I646 WeakPolarHBondContact CD-O 3.47Å; R600-I646 PolarHBondContact NE-O 3.31Å; R600-I646 PolarHBondContact NH1-O 3.29Å
601S95.9Very high95.4Very high16 Ų1638.1 Ų38.111%0.11221%0.21CC..  trans-67.2160.8-170.583.90000112.5G603 D604 R605S601-G603 VanDerWaalsContact C-N 3.33Å; S601-G603 PolarHBondContact O-N 3.24Å; S601-D604 WeakPolarHBondContact CB-OD2 3.48Å; S601-D604 PolarHBondContact O-N 3.33Å; S601-D604 PolarHBondContact OG-N 3.28Å; S601-D604 PolarHBondContact OG-OD2 3.44Å; S601-R605 WeakPolarHBondContact O-CG 3.38Å; S601-R605 PolarHBondContact O-N 3.39Å
602L97.4Very high95.3Very high3 Ų337.3 Ų37.32%0.01621%0.205CC..Hα-helixtrans-61.8-41.3179-176.258.7000111.8L529 Y532 L561 I571 F592 L597 R605 I606L529-L602 HydrophobicContact CD2-CB 4.34Å; L529-L602 HydrophobicContact CD2-CD2 3.55Å; Y532-L602 HydrophobicContact CE1-CB 4.15Å; Y532-L602 HydrophobicContact CE1-CG 4.48Å; L561-L602 HydrophobicContact CD1-CD2 4.09Å; I571-L602 HydrophobicContact CD1-CD2 3.96Å; I571-L602 HydrophobicContact CG2-CD2 4.49Å; F592-L602 HydrophobicContact CD2-CD1 3.94Å; F592-L602 HydrophobicContact CE2-CD1 4.11Å; L597-L602 HydrophobicContact CD2-CB 3.91Å; L597-L602 HydrophobicContact CD2-CD1 4.42Å; L602-R605 PolarHBondContact O-N 3.5Å; L602-I606 HydrophobicContact CD1-CD1 3.96Å; L602-I606 HydrophobicContact CD1-CG1 4.27Å; L602-I606 HydrophobicContact CG-CD1 3.8Å; L602-I606 WeakPolarHBondContact O-CB 3.49Å; L602-I606 VanDerWaalsContact O-CG1 3.23Å; L602-I606 WeakPolarHBondContact O-CG1 3.44Å; L602-I606 PolarHBondContact O-N 2.89Å
603G96.4Very high95.2Very high0 Ų041.7 Ų41.70%022%0.224CC..Hα-helixtrans-60.7-46.3174.700000112.4Y532 S601 I606 R607 Y629Y532-G603 PolarHBondContact OH-N 2.95Å; S601-G603 VanDerWaalsContact C-N 3.33Å; S601-G603 PolarHBondContact O-N 3.24Å; G603-I606 PolarHBondContact O-N 3.14Å; G603-R607 PolarHBondContact O-N 2.88Å; G603-Y629 WeakPolarHBondContact O-CD1 3.47Å; G603-Y629 VanDerWaalsContact O-CE1 3.25Å; G603-Y629 WeakPolarHBondContact O-CE1 3.32Å
604D95.2Very high95.2Very high4 Ų442.3 Ų42.32%0.02123%0.225CC..Hα-helixtrans-65.7-38.8178.6-58-49.9000112.1R600 S601 R607 D608 K630R600-D604 HydrophobicContact CG-CB 3.82Å; S601-D604 WeakPolarHBondContact CB-OD2 3.48Å; S601-D604 PolarHBondContact O-N 3.33Å; S601-D604 PolarHBondContact OG-N 3.28Å; S601-D604 PolarHBondContact OG-OD2 3.44Å; D604-R607 WeakPolarHBondContact O-CB 3.23Å; D604-R607 PolarHBondContact O-N 2.76Å; D604-R607 IonicContact OD1-CZ 2.77Å; D604-R607 IonicContact OD1-NH1 3.36Å; D604-R607 PolarHBondContact OD1-NH1 3Å; D604-D608 VanDerWaalsContact O-CG 3.23Å; D604-D608 PolarHBondContact O-N 2.84Å; D604-D608 VanDerWaalsContact O-N 3.12Å; D604-K630 WeakPolarHBondContact OD1-CB 3.45Å; D604-K630 PolarHBondContact OD1-N 2.91Å; D604-K630 WeakPolarHBondContact OD2-CD 3.36Å; D604-K630 WeakPolarHBondContact OD2-CG 3.14Å
605R96.3Very high95.3Very high29 Ų2941.5 Ų41.511%0.10922%0.217CC..Hα-helixtrans-64.7-43.1174.1-72.5172.4178.5-88.72.3112.1D596 R600 S601 L602 R607 D608 L609 M648D596-R605 PolarHBondContact O-NE 2.71Å; D596-R605 PolarHBondContact O-NH2 2.99Å; R600-R605 HydrophobicContact CB-CG 4.29Å; R600-R605 HydrophobicContact CG-CG 4.1Å; R600-R605 PolarHBondContact O-NE 3.47Å; S601-R605 WeakPolarHBondContact O-CG 3.38Å; S601-R605 PolarHBondContact O-N 3.39Å; L602-R605 PolarHBondContact O-N 3.5Å; R605-R607 VanDerWaalsContact C-N 3.29Å; R605-R607 PolarHBondContact O-N 3.04Å; R605-D608 PolarHBondContact O-N 3.4Å; R605-L609 WeakPolarHBondContact O-CG 3.35Å; R605-L609 PolarHBondContact O-N 3.38Å; R605-M648 HydrophobicContact CB-SD 4.3Å; R605-M648 HydrophobicContact CG-CB 4.49Å; R605-M648 HydrophobicContact CG-SD 4.21Å; R605-M648 PolarHBondContact NH1-SD 3.3Å; R605-M648 VanDerWaalsContact NH1-SD 3.4Å
606I96.8Very high95.3Very high0 Ų035.6 Ų35.60%019%0.191CC..Hα-helixtrans-63.1-37.4174.7-73.4168000110.5F559 L561 I573 L602 G603 K621 F625F559-I606 HydrophobicContact CE2-CD1 4.42Å; F559-I606 HydrophobicContact CE2-CG2 4.25Å; F559-I606 HydrophobicContact CZ-CG2 3.89Å; L561-I606 HydrophobicContact CD1-CD1 3.96Å; L561-I606 HydrophobicContact CD2-CD1 3.91Å; I573-I606 HydrophobicContact CD1-CG1 3.85Å; L602-I606 HydrophobicContact CD1-CD1 3.96Å; L602-I606 HydrophobicContact CD1-CG1 4.27Å; L602-I606 HydrophobicContact CG-CD1 3.8Å; L602-I606 WeakPolarHBondContact O-CB 3.49Å; L602-I606 VanDerWaalsContact O-CG1 3.23Å; L602-I606 WeakPolarHBondContact O-CG1 3.44Å; L602-I606 PolarHBondContact O-N 2.89Å; G603-I606 PolarHBondContact O-N 3.14Å; I606-K621 HydrophobicContact CG2-CD 3.69Å; I606-K621 HydrophobicContact CG2-CG 3.76Å; I606-K621 VanDerWaalsContact O-CD 3.31Å; I606-K621 WeakPolarHBondContact O-CD 3.4Å; I606-K621 PolarHBondContact O-NZ 3.12Å; I606-F625 HydrophobicContact CD1-CD1 4.1Å; I606-F625 HydrophobicContact CD1-CE1 3.64Å; I606-F625 HydrophobicContact CD1-CE2 4.27Å; I606-F625 HydrophobicContact CD1-CZ 3.75Å; I606-F625 HydrophobicContact CG2-CD2 3.88Å; I606-F625 HydrophobicContact CG2-CE2 4.13Å; I606-F625 HydrophobicContact CG2-CG 4.2Å
607R95.7Very high95.1Very high49 Ų4935.4 Ų35.419%0.18519%0.192CC..Hα-helixtrans-61.2-50.1176.2-167.7175.869.4-143.58.1112G603 D604 R605 L609 K621 Y629 K630 E632G603-R607 PolarHBondContact O-N 2.88Å; D604-R607 WeakPolarHBondContact O-CB 3.23Å; D604-R607 PolarHBondContact O-N 2.76Å; D604-R607 IonicContact OD1-CZ 2.77Å; D604-R607 IonicContact OD1-NH1 3.36Å; D604-R607 PolarHBondContact OD1-NH1 3Å; R605-R607 VanDerWaalsContact C-N 3.29Å; R605-R607 PolarHBondContact O-N 3.04Å; R607-L609 VanDerWaalsContact C-N 3.29Å; R607-L609 PolarHBondContact O-N 2.79Å; R607-K621 PolarHBondContact O-NZ 3.13Å; R607-Y629 HydrophobicContact CB-CD1 4.08Å; R607-Y629 HydrophobicContact CB-CE1 3.7Å; R607-Y629 HydrophobicContact CG-CD2 4.49Å; R607-Y629 HydrophobicContact CG-CE1 4.22Å; R607-Y629 HydrophobicContact CG-CE2 4.18Å; R607-K630 PolarHBondContact NH1-O 2.97Å; R607-E632 IonicContact CZ-OE1 3.9Å; R607-E632 IonicContact NE-OE1 3.91Å; R607-E632 IonicContact NH2-OE1 3.98Å; R607-E632 PolarHBondContact NH2-OE1 2.78Å
608D94.6Very high95Very high26 Ų2642.2 Ų42.214%0.13922%0.222CC..Hα-helixtrans-59.1-38.8-176.7-60.5-28000113R600 D604 R605 A610 K647 M648R600-D608 IonicContact CZ-OD1 3.89Å; R600-D608 IonicContact CZ-OD2 2.72Å; R600-D608 VanDerWaalsContact CZ-OD2 3.28Å; R600-D608 IonicContact NE-OD1 3.96Å; R600-D608 IonicContact NE-OD2 2.79Å; R600-D608 PolarHBondContact NE-OD2 3.09Å; R600-D608 VanDerWaalsContact NH2-CG 3.31Å; R600-D608 IonicContact NH2-OD1 3.83Å; R600-D608 PolarHBondContact NH2-OD1 2.96Å; R600-D608 IonicContact NH2-OD2 3.67Å; R600-D608 PolarHBondContact NH2-OD2 2.99Å; R600-D608 VanDerWaalsContact NH2-OD2 3.13Å; D604-D608 VanDerWaalsContact O-CG 3.23Å; D604-D608 PolarHBondContact O-N 2.84Å; D604-D608 VanDerWaalsContact O-N 3.12Å; R605-D608 PolarHBondContact O-N 3.4Å; D608-A610 PolarHBondContact O-N 3.1Å; D608-K647 HydrophobicContact CB-CB 4.33Å; D608-K647 VanDerWaalsContact OD2-CA 3.31Å; D608-K647 WeakPolarHBondContact OD2-CA 3.41Å; D608-M648 HydrophobicContact CB-CB 4.49Å; D608-M648 VanDerWaalsContact CB-O 3.27Å; D608-M648 WeakPolarHBondContact CB-O 3.41Å; D608-M648 PolarHBondContact OD2-N 3.21Å
609L94.9Very high95Very high0 Ų042 Ų420%021%0.209CC..  trans-71.596.9-176-71.5172.7000111.6I573 I589 R605 R607 Q611 L612 K621 M648 V650I573-L609 HydrophobicContact CD1-CD1 4.11Å; I589-L609 HydrophobicContact CD1-CD1 3.73Å; R605-L609 WeakPolarHBondContact O-CG 3.35Å; R605-L609 PolarHBondContact O-N 3.38Å; R607-L609 VanDerWaalsContact C-N 3.29Å; R607-L609 PolarHBondContact O-N 2.79Å; L609-Q611 VanDerWaalsContact C-N 3.33Å; L609-Q611 PolarHBondContact O-N 3.3Å; L609-L612 HydrophobicContact CB-CD1 3.73Å; L609-L612 HydrophobicContact CB-CG 3.85Å; L609-L612 HydrophobicContact CD1-CD1 3.82Å; L609-L612 HydrophobicContact CG-CD1 4.46Å; L609-L612 WeakPolarHBondContact O-CB 3.32Å; L609-L612 PolarHBondContact O-N 3.08Å; L609-K621 PolarHBondContact O-NZ 3.24Å; L609-M648 HydrophobicContact CD1-CE 4.38Å; L609-M648 HydrophobicContact CD1-SD 4.42Å; L609-M648 HydrophobicContact CD2-CG 4.3Å; L609-V650 HydrophobicContact CD2-CG2 3.97Å
610A91.4Very high95.1Very high74 Ų7439.2 Ų39.261%0.61220%0.198SC*.THydrogen-bonded Turntrans-69.2-25-175.200000114.3D608 L612D608-A610 PolarHBondContact O-N 3.1Å; A610-L612 PolarHBondContact O-N 3.07Å
611Q91.6Very high95.3Very high38 Ų3838.2 Ų38.218%0.17820%0.195CC..THydrogen-bonded Turntrans-68.3-19.9173.464.8-76.179.200113G557 L609 D653G557-Q611 WeakPolarHBondContact CA-O 3.46Å; L609-Q611 VanDerWaalsContact C-N 3.33Å; L609-Q611 PolarHBondContact O-N 3.3Å; Q611-D653 VanDerWaalsContact NE2-CG 3.33Å; Q611-D653 PolarHBondContact NE2-OD1 2.89Å; Q611-D653 PolarHBondContact NE2-OD2 3.06Å; Q611-D653 VanDerWaalsContact NE2-OD2 3.1Å
612L95.5Very high95.2Very high2 Ų241.4 Ų41.41%0.0121%0.21CC..  trans-83.8119.9175.1-54.7-176.2000110.3F559 I573 H575 L609 A610 K621F559-L612 HydrophobicContact CB-CD2 3.85Å; F559-L612 HydrophobicContact CD1-CB 3.77Å; F559-L612 HydrophobicContact CD1-CD2 4.1Å; F559-L612 HydrophobicContact CD1-CG 4.36Å; F559-L612 HydrophobicContact CD2-CD1 4.46Å; F559-L612 HydrophobicContact CE1-CB 3.81Å; F559-L612 HydrophobicContact CG-CB 4.39Å; F559-L612 HydrophobicContact CG-CD1 4.5Å; F559-L612 HydrophobicContact CG-CD2 3.96Å; F559-L612 HydrophobicContact CZ-CB 4.43Å; I573-L612 HydrophobicContact CD1-CD1 3.92Å; I573-L612 HydrophobicContact CG2-CD1 4.12Å; I573-L612 HydrophobicContact CG2-CD2 4.1Å; H575-L612 HydrophobicContact CB-CD2 3.86Å; L609-L612 HydrophobicContact CB-CD1 3.73Å; L609-L612 HydrophobicContact CB-CG 3.85Å; L609-L612 HydrophobicContact CD1-CD1 3.82Å; L609-L612 HydrophobicContact CG-CD1 4.46Å; L609-L612 WeakPolarHBondContact O-CB 3.32Å; L609-L612 PolarHBondContact O-N 3.08Å; A610-L612 PolarHBondContact O-N 3.07Å; L612-K621 HydrophobicContact CB-CD 3.93Å; L612-K621 VanDerWaalsContact O-CD 3.25Å; L612-K621 WeakPolarHBondContact O-CD 3.36Å; L612-K621 VanDerWaalsContact O-CE 3.25Å; L612-K621 WeakPolarHBondContact O-CE 3.46Å; L612-K621 PolarHBondContact O-NZ 3.12Å
613K95.3Very high95.2Very high100 Ų10046.8 Ų46.844%0.43524%0.236SC..  trans-119.2-48.7-173.3-62.6170.9-171.4166.50112.7D556 G557 K621D556-K613 IonicContact OD2-NZ 2.74Å; D556-K613 PolarHBondContact OD2-NZ 3.49Å; G557-K613 PolarHBondContact O-N 3.47Å; K613-K621 WeakPolarHBondContact O-CB 3.21Å; K613-K621 PolarHBondContact O-N 2.72Å
614N96.6Very high95.1Very high47 Ų4747.3 Ų47.325%0.25124%0.24SC..EExtended strand (participates in β ladder)trans-128.7128.3-175.5-62.4-60.7000111.6G557 T558 F559 K619G557-N614 PolarHBondContact O-N 3.31Å; G557-N614 VanDerWaalsContact O-N 3.15Å; T558-N614 CarbonylContact C-O 3.46Å; T558-N614 VanDerWaalsContact CA-O 3.29Å; T558-N614 WeakPolarHBondContact CA-O 3.31Å; T558-N614 HydrophobicContact CG2-CB 4.44Å; F559-N614 WeakPolarHBondContact CD1-O 3.36Å; F559-N614 PolarHBondContact N-O 2.69Å; N614-K619 CarbonylContact C-O 3.59Å; N614-K619 WeakPolarHBondContact CA-O 3.27Å
615L97.8Very high95.2Very high6 Ų647.1 Ų47.13%0.03124%0.239CC..EExtended strand (participates in β ladder)trans-76130.2165.3-178.468.8000109.3L537 F559 L561 P617 K618 K619 A624 F625L537-L615 HydrophobicContact CB-CD2 4.17Å; L537-L615 HydrophobicContact CD2-CD2 3.92Å; F559-L615 HydrophobicContact CD2-CD1 4.13Å; F559-L615 HydrophobicContact CE1-CB 4.42Å; F559-L615 HydrophobicContact CE2-CD1 3.79Å; F559-L615 HydrophobicContact CZ-CB 4.17Å; F559-L615 HydrophobicContact CZ-CD1 4.28Å; L561-L615 HydrophobicContact CG-CD1 4.48Å; L615-P617 CarbonylContact O-C 3.53Å; L615-K618 PolarHBondContact O-N 3.19Å; L615-K619 HydrophobicContact CB-CB 4.35Å; L615-K619 PolarHBondContact N-O 2.91Å; L615-K619 PolarHBondContact O-N 2.74Å; L615-A624 HydrophobicContact CB-CB 4.3Å; L615-A624 HydrophobicContact CD2-CB 3.9Å; L615-F625 HydrophobicContact CB-CE2 4.2Å; L615-F625 HydrophobicContact CD1-CE2 4.16Å; L615-F625 HydrophobicContact CD1-CZ 4.1Å; L615-F625 HydrophobicContact CD2-CE2 3.87Å; L615-F625 HydrophobicContact CD2-CZ 3.93Å; L615-F625 HydrophobicContact CG-CE2 4.3Å
616Y96.2Very high95.1Very high41 Ų4153.7 Ų53.716%0.16126%0.264CS..THydrogen-bonded Turntrans-54.5136.4178.3179.2-88.8000111.6I539 L550 L551 E554 F559I539-Y616 HydrophobicContact CD1-CD1 4.1Å; L550-Y616 HydrophobicContact CB-CE2 4.35Å; L551-Y616 HydrophobicContact CD2-CD2 4.32Å; E554-Y616 HydrophobicContact CG-CD2 4.35Å; E554-Y616 HydrophobicContact CG-CE2 4.37Å; F559-Y616 PolarHBondContact O-N 2.7Å
617P91.1Very high95Very high51 Ų5158.2 Ų58.233%0.33130%0.296SS..THydrogen-bonded Turncis-75-55.1-0.528.6-33000112.7L615L615-P617 CarbonylContact O-C 3.53Å
618K92.8Very high94.9Very high157 Ų15756.9 Ų56.968%0.68329%0.291SS*.THydrogen-bonded Turntrans-143.737.7-166.5-59-175.5-177.5-179.60113.6L615L615-K618 PolarHBondContact O-N 3.19Å
619K94.9Very high94.9Very high89 Ų8957.7 Ų57.739%0.38729%0.293SS..EExtended strand (participates in β ladder)trans-99.1125.5179.3-68.6-177176.9-179.80111.2N614 L615 A624N614-K619 CarbonylContact C-O 3.59Å; N614-K619 WeakPolarHBondContact CA-O 3.27Å; L615-K619 HydrophobicContact CB-CB 4.35Å; L615-K619 PolarHBondContact N-O 2.91Å; L615-K619 PolarHBondContact O-N 2.74Å; K619-A624 HydrophobicContact CB-CB 4.32Å
620P97.2Very high94.7Very high57 Ų5763.6 Ų63.637%0.3732%0.318SS..EExtended strand (participates in β ladder)trans-58.1140.9174.3-24.434.3000112.5D622 E623 A624P620-D622 PolarHBondContact O-N 2.71Å; P620-E623 HydrophobicContact CB-CB 4.08Å; P620-E623 HydrophobicContact CG-CB 4.47Å; P620-E623 WeakPolarHBondContact O-CB 3.41Å; P620-E623 PolarHBondContact O-N 3.04Å; P620-E623 VanDerWaalsContact O-N 3.11Å; P620-A624 PolarHBondContact O-N 3.39Å
621K96.6Very high94.3Very high13 Ų1365.7 Ų65.76%0.05733%0.326CS..Hα-helixtrans-53.3-53.7-176.6-175.4175.873.3166.20113F559 I606 R607 L609 L612 K613 E623 A624 F625F559-K621 HydrophobicContact CE1-CB 4.33Å; F559-K621 HydrophobicContact CE1-CD 4.35Å; F559-K621 HydrophobicContact CE1-CG 4.24Å; F559-K621 HydrophobicContact CZ-CD 4.47Å; F559-K621 HydrophobicContact CZ-CG 4.18Å; I606-K621 HydrophobicContact CG2-CD 3.69Å; I606-K621 HydrophobicContact CG2-CG 3.76Å; I606-K621 VanDerWaalsContact O-CD 3.31Å; I606-K621 WeakPolarHBondContact O-CD 3.4Å; I606-K621 PolarHBondContact O-NZ 3.12Å; R607-K621 PolarHBondContact O-NZ 3.13Å; L609-K621 PolarHBondContact O-NZ 3.24Å; L612-K621 HydrophobicContact CB-CD 3.93Å; L612-K621 VanDerWaalsContact O-CD 3.25Å; L612-K621 WeakPolarHBondContact O-CD 3.36Å; L612-K621 VanDerWaalsContact O-CE 3.25Å; L612-K621 WeakPolarHBondContact O-CE 3.46Å; L612-K621 PolarHBondContact O-NZ 3.12Å; K613-K621 WeakPolarHBondContact O-CB 3.21Å; K613-K621 PolarHBondContact O-N 2.72Å; K621-E623 PolarHBondContact O-N 2.94Å; K621-A624 PolarHBondContact O-N 3.41Å; K621-F625 HydrophobicContact CG-CD2 4.39Å; K621-F625 WeakPolarHBondContact O-CD2 3.47Å; K621-F625 PolarHBondContact O-N 3.43Å
622D95.4Very high93.6Very high83 Ų8367.9 Ų67.944%0.44434%0.336SS..Hα-helixtrans-792.5-177.3-53.4-94.5000113.7P620 R626 Y629P620-D622 PolarHBondContact O-N 2.71Å; D622-R626 VanDerWaalsContact O-CZ 3.31Å; D622-R626 PolarHBondContact O-NE 2.68Å; D622-R626 PolarHBondContact O-NH2 2.89Å; D622-Y629 HydrophobicContact CB-CE2 4.3Å; D622-Y629 WeakPolarHBondContact OD1-CE2 3.27Å; D622-Y629 PolarHBondContact OD1-OH 2.72Å
623E95.9Very high92.3Very high116 Ų11675.1 Ų75.154%0.54237%0.37SS..Hα-helixtrans-92.3-52.6162-170.3-170.9131.800109.9P620 K621 F625P620-E623 HydrophobicContact CB-CB 4.08Å; P620-E623 HydrophobicContact CG-CB 4.47Å; P620-E623 WeakPolarHBondContact O-CB 3.41Å; P620-E623 PolarHBondContact O-N 3.04Å; P620-E623 VanDerWaalsContact O-N 3.11Å; K621-E623 PolarHBondContact O-N 2.94Å; E623-F625 PolarHBondContact O-N 2.97Å
624A95.8Very high90.5Very high12 Ų1278.9 Ų78.910%0.09939%0.391CS..Hα-helixtrans-62.7-39-176.700000113.9L537 L615 K619 P620 K621L537-A624 VanDerWaalsContact CD1-O 3.23Å; L537-A624 WeakPolarHBondContact CD1-O 3.38Å; L537-A624 HydrophobicContact CD2-CB 4.19Å; L615-A624 HydrophobicContact CB-CB 4.3Å; L615-A624 HydrophobicContact CD2-CB 3.9Å; K619-A624 HydrophobicContact CB-CB 4.32Å; P620-A624 PolarHBondContact O-N 3.39Å; K621-A624 PolarHBondContact O-N 3.41Å
625F96.8Very high88.8Confident0 Ų078.6 Ų78.60%040%0.399CS..THydrogen-bonded Turntrans-106.76.5-172.8-65.9-83.3000114.7Y532 L537 F559 L561 I606 L615 K621 E623 S627 H628 Y629Y532-F625 HydrophobicContact CD1-CD1 4.02Å; Y532-F625 AromaticContact CD1-CE1 3.95Å; Y532-F625 HydrophobicContact CD1-CE1 3.95Å; Y532-F625 HydrophobicContact CE1-CD1 4.09Å; Y532-F625 HydrophobicContact CE1-CE1 4.36Å; L537-F625 HydrophobicContact CB-CE1 4.12Å; L537-F625 HydrophobicContact CB-CZ 4.23Å; L537-F625 HydrophobicContact CD1-CD1 3.89Å; L537-F625 HydrophobicContact CD1-CE1 3.82Å; L537-F625 HydrophobicContact CD1-CZ 4.42Å; F559-F625 AromaticContact CE2-CE2 3.94Å; F559-F625 HydrophobicContact CE2-CE2 3.94Å; F559-F625 HydrophobicContact CE2-CZ 4.28Å; F559-F625 HydrophobicContact CZ-CD2 4.39Å; F559-F625 AromaticContact CZ-CE2 3.7Å; F559-F625 HydrophobicContact CZ-CE2 3.7Å; F559-F625 HydrophobicContact CZ-CZ 4.47Å; L561-F625 HydrophobicContact CD1-CE1 3.87Å; L561-F625 HydrophobicContact CD1-CZ 3.7Å; I606-F625 HydrophobicContact CD1-CD1 4.1Å; I606-F625 HydrophobicContact CD1-CE1 3.64Å; I606-F625 HydrophobicContact CD1-CE2 4.27Å; I606-F625 HydrophobicContact CD1-CZ 3.75Å; I606-F625 HydrophobicContact CG2-CD2 3.88Å; I606-F625 HydrophobicContact CG2-CE2 4.13Å; I606-F625 HydrophobicContact CG2-CG 4.2Å; L615-F625 HydrophobicContact CB-CE2 4.2Å; L615-F625 HydrophobicContact CD1-CE2 4.16Å; L615-F625 HydrophobicContact CD1-CZ 4.1Å; L615-F625 HydrophobicContact CD2-CE2 3.87Å; L615-F625 HydrophobicContact CD2-CZ 3.93Å; L615-F625 HydrophobicContact CG-CE2 4.3Å; K621-F625 HydrophobicContact CG-CD2 4.39Å; K621-F625 WeakPolarHBondContact O-CD2 3.47Å; K621-F625 PolarHBondContact O-N 3.43Å; E623-F625 PolarHBondContact O-N 2.97Å; F625-S627 VanDerWaalsContact C-N 3.31Å; F625-S627 PolarHBondContact O-N 3.16Å; F625-H628 WeakPolarHBondContact O-CA 3.34Å; F625-H628 PolarHBondContact O-N 3.25Å; F625-Y629 HydrophobicContact CB-CD1 4.21Å; F625-Y629 HydrophobicContact CB-CE1 3.44Å; F625-Y629 VanDerWaalsContact CB-CE1 3.44Å; F625-Y629 WeakPolarHBondContact O-CD1 3.3Å; F625-Y629 PolarHBondContact O-N 3.4Å
626R94Very high87.2Confident167 Ų16785.5 Ų85.563%0.6343%0.429SS*.G310 helixtrans-54.4-41.1-173.4-166.2175.6-60.2157.15.2114.3D622 H628D622-R626 VanDerWaalsContact O-CZ 3.31Å; D622-R626 PolarHBondContact O-NE 2.68Å; D622-R626 PolarHBondContact O-NH2 2.89Å; R626-H628 PolarHBondContact O-N 3.36Å
627S94.3Very high85.6Confident95 Ų9587.4 Ų87.466%0.66444%0.442SS*.G310 helixtrans-71.9-13.2177.744.70000114.2F625F625-S627 VanDerWaalsContact C-N 3.31Å; F625-S627 PolarHBondContact O-N 3.16Å
628H94.3Very high84.4Confident21 Ų2189.6 Ų89.610%0.09747%0.474CS..G310 helixtrans-108.51.3-176.3-54.4-85.9000113.1S531 Y532 D535 F625 R626S531-H628 PolarHBondContact OG-CE1 2.97Å; S531-H628 VanDerWaalsContact OG-CE1 3.31Å; S531-H628 PolarHBondContact OG-ND1 2.87Å; Y532-H628 HydrophobicContact CD1-CB 4.26Å; Y532-H628 AromaticContact CD1-CG 3.85Å; Y532-H628 AromaticContact CD1-ND1 3.84Å; Y532-H628 AromaticContact CD2-ND1 3.92Å; Y532-H628 HydrophobicContact CE1-CB 3.52Å; Y532-H628 AromaticContact CE1-CG 3.61Å; Y532-H628 AromaticContact CE1-ND1 3.79Å; Y532-H628 AromaticContact CE2-ND1 3.85Å; Y532-H628 AromaticContact CG-ND1 3.92Å; Y532-H628 AromaticContact CZ-CG 3.93Å; Y532-H628 AromaticContact CZ-ND1 3.79Å; D535-H628 IonicContact OD2-CE1 3.64Å; D535-H628 PolarHBondContact OD2-CE1 2.7Å; D535-H628 IonicContact OD2-NE2 2.94Å; D535-H628 PolarHBondContact OD2-NE2 3.21Å; F625-H628 WeakPolarHBondContact O-CA 3.34Å; F625-H628 PolarHBondContact O-N 3.25Å; R626-H628 PolarHBondContact O-N 3.36Å
629Y94.4Very high83.5Confident42 Ų4291.7 Ų91.717%0.16548%0.477CS..PPolyproline II helixtrans-83.8127.8176.1-70-12.6000111.4G603 R607 D622 F625G603-Y629 WeakPolarHBondContact O-CD1 3.47Å; G603-Y629 VanDerWaalsContact O-CE1 3.25Å; G603-Y629 WeakPolarHBondContact O-CE1 3.32Å; R607-Y629 HydrophobicContact CB-CD1 4.08Å; R607-Y629 HydrophobicContact CB-CE1 3.7Å; R607-Y629 HydrophobicContact CG-CD2 4.49Å; R607-Y629 HydrophobicContact CG-CE1 4.22Å; R607-Y629 HydrophobicContact CG-CE2 4.18Å; D622-Y629 HydrophobicContact CB-CE2 4.3Å; D622-Y629 WeakPolarHBondContact OD1-CE2 3.27Å; D622-Y629 PolarHBondContact OD1-OH 2.72Å; F625-Y629 HydrophobicContact CB-CD1 4.21Å; F625-Y629 HydrophobicContact CB-CE1 3.44Å; F625-Y629 VanDerWaalsContact CB-CE1 3.44Å; F625-Y629 WeakPolarHBondContact O-CD1 3.3Å; F625-Y629 PolarHBondContact O-N 3.4Å
630K89.9Confident82.6Confident124 Ų12489.6 Ų89.654%0.53948%0.481SS..PPolyproline II helixtrans-76.9136.1168.8-62.3-176.5-171.2-178.60109.8D604 R607D604-K630 WeakPolarHBondContact OD1-CB 3.45Å; D604-K630 PolarHBondContact OD1-N 2.91Å; D604-K630 WeakPolarHBondContact OD2-CD 3.36Å; D604-K630 WeakPolarHBondContact OD2-CG 3.14Å; R607-K630 PolarHBondContact NH1-O 2.97Å
631P83.4Confident81.5Confident119 Ų11994.7 Ų94.777%0.77349%0.494SS*.PPolyproline II helixtrans-63.5135.217626.9-34.1000110.5Q633P631-Q633 PolarHBondContact O-N 3.24Å
632E78.4Confident80.6Confident83 Ų8399 Ų9939%0.38852%0.521SS..PPolyproline II helixtrans-76.3118.3175.7-60.1-160.6161.200109.5R607 M634 K647R607-E632 IonicContact CZ-OE1 3.9Å; R607-E632 IonicContact NE-OE1 3.91Å; R607-E632 IonicContact NH2-OE1 3.98Å; R607-E632 PolarHBondContact NH2-OE1 2.78Å; E632-M634 VanDerWaalsContact C-N 3.28Å; E632-M634 PolarHBondContact O-N 2.89Å; E632-K647 VanDerWaalsContact OE1-CE 3.27Å; E632-K647 WeakPolarHBondContact OE1-CE 3.37Å; E632-K647 IonicContact OE1-NZ 3.63Å; E632-K647 PolarHBondContact OE1-NZ 3.46Å; E632-K647 IonicContact OE2-NZ 2.73Å; E632-K647 PolarHBondContact OE2-NZ 2.95Å
633Q66.7Low79.5Confident154 Ų15497.9 Ų97.972%0.7252%0.52SS*.  trans-77.777.8178.9-70.4-174.6-11.600110.7P631 G635P631-Q633 PolarHBondContact O-N 3.24Å; Q633-G635 PolarHBondContact O-N 3.39Å
634M57.8Low78.7Confident179 Ų17999 Ų9988%0.88254%0.535SS*.  trans-72.869.9169.1-71.8-170.1167.500110.8E632E632-M634 VanDerWaalsContact C-N 3.28Å; E632-M634 PolarHBondContact O-N 2.89Å
635G62.1Low78Confident41 Ų41102 Ų10242%0.42356%0.559SS.*SBendtrans-141.1156.2176.900000111.6Q633Q633-G635 PolarHBondContact O-N 3.39Å
636K63Low77.5Confident152 Ų152108 Ų10866%0.66159%0.591SS**BIsolated β-bridgetrans-83.4140.2155-69.9179.7179-176.20107.8Y641 V642K636-Y641 CarbonylContact C-O 3.55Å; K636-Y641 WeakPolarHBondContact CA-O 3.49Å; K636-V642 HydrophobicContact CG-CG2 4Å
637D63.3Low77.3Confident81 Ų81105.3 Ų105.343%0.43358%0.583SS.*  trans-53.7155.5163-83.8-2.4000109.6R639 G640 Y641D637-R639 PolarHBondContact O-N 2.86Å; D637-G640 PolarHBondContact O-N 3.36Å; D637-Y641 PolarHBondContact N-O 3.44Å
638G64.6Low77.2Confident96 Ų96102.3 Ų102.399%0.9956%0.559SS**THydrogen-bonded Turntrans-60.22.7174.400000115.6
639R75.7Confident76.9Confident201 Ų201106.1 Ų106.176%0.75858%0.584SS**THydrogen-bonded Turntrans-114.59.3172.9-63.4-177.6-65.5-114.2-4.7113.5D637 Y641D637-R639 PolarHBondContact O-N 2.86Å; R639-Y641 HydrophobicContact CB-CD2 4.05Å; R639-Y641 HydrophobicContact CB-CE2 4.17Å
640G75.7Confident76.6Confident45 Ų45106.6 Ų106.646%0.46459%0.591SS.*SBendtrans91.6-12173.300000116.8D637D637-G640 PolarHBondContact O-N 3.36Å
641Y73.6Confident75.7Confident164 Ų164109.2 Ų109.264%0.64361%0.605SS**PPolyproline II helixtrans-64.8137.8175.6-63-78.4000111.6K636 D637 R639K636-Y641 CarbonylContact C-O 3.55Å; K636-Y641 WeakPolarHBondContact CA-O 3.49Å; D637-Y641 PolarHBondContact N-O 3.44Å; R639-Y641 HydrophobicContact CB-CD2 4.05Å; R639-Y641 HydrophobicContact CB-CE2 4.17Å
642V77.8Confident74.6Confident103 Ų103111.3 Ų111.362%0.62460%0.598SS**BIsolated β-bridgetrans-87.6132.5175.1179.30000109K636 T644K636-V642 HydrophobicContact CG-CG2 4Å; V642-T644 PolarHBondContact O-N 2.87Å
643S73.2Confident73.1Confident61 Ų61109.8 Ų109.843%0.42759%0.592SS.*PPolyproline II helixtrans-64.4130.1177-166.20000111.5
644T78Confident71.6Confident138 Ų138109.9 Ų109.985%0.84759%0.593SS**PPolyproline II helixtrans-100.6136.9178.652.50000110.9V642V642-T644 PolarHBondContact O-N 2.87Å
645A81Confident70.6Confident75 Ų75106.9 Ų106.962%0.6259%0.587SS**  trans-125.8124.7-174.300000111.7
646I87.4Confident69.3Low128 Ų128112.8 Ų112.866%0.65661%0.608SS**  trans-82.5126.2171-55.6172.2000108.2R600R600-I646 WeakPolarHBondContact CD-O 3.47Å; R600-I646 PolarHBondContact NE-O 3.31Å; R600-I646 PolarHBondContact NH1-O 3.29Å
647K89.6Confident67.9Low110 Ų110111.2 Ų111.248%0.47861%0.613SS.*  trans-115155.2171.5-65.8-164.4174-169.70110.7D608 E632D608-K647 HydrophobicContact CB-CB 4.33Å; D608-K647 VanDerWaalsContact OD2-CA 3.31Å; D608-K647 WeakPolarHBondContact OD2-CA 3.41Å; E632-K647 VanDerWaalsContact OE1-CE 3.27Å; E632-K647 WeakPolarHBondContact OE1-CE 3.37Å; E632-K647 IonicContact OE1-NZ 3.63Å; E632-K647 PolarHBondContact OE1-NZ 3.46Å; E632-K647 IonicContact OE2-NZ 2.73Å; E632-K647 PolarHBondContact OE2-NZ 2.95Å
648M91.4Very high66.3Low32 Ų32113.1 Ų113.116%0.15863%0.628CS.*  trans-98.5136.2174.4179169.5175.500111.4I589 F592 R605 D608 L609I589-M648 HydrophobicContact CG2-CE 3.71Å; F592-M648 HydrophobicContact CE1-CE 3.73Å; F592-M648 HydrophobicContact CE1-SD 3.61Å; F592-M648 HydrophobicContact CZ-CE 3.7Å; F592-M648 HydrophobicContact CZ-SD 3.59Å; F592-M648 VanDerWaalsContact CZ-SD 3.59Å; R605-M648 HydrophobicContact CB-SD 4.3Å; R605-M648 HydrophobicContact CG-CB 4.49Å; R605-M648 HydrophobicContact CG-SD 4.21Å; R605-M648 PolarHBondContact NH1-SD 3.3Å; R605-M648 VanDerWaalsContact NH1-SD 3.4Å; D608-M648 HydrophobicContact CB-CB 4.49Å; D608-M648 VanDerWaalsContact CB-O 3.27Å; D608-M648 WeakPolarHBondContact CB-O 3.41Å; D608-M648 PolarHBondContact OD2-N 3.21Å; L609-M648 HydrophobicContact CD1-CE 4.38Å; L609-M648 HydrophobicContact CD1-SD 4.42Å; L609-M648 HydrophobicContact CD2-CG 4.3Å
649T88.9Confident65.1Low101 Ų101114.6 Ų114.662%0.6262%0.62SS**  trans-135.9166.4171.452.10000110.3D653T649-D653 WeakPolarHBondContact CA-OD2 3.3Å; T649-D653 HydrophobicContact CG2-CB 4.3Å
650V86.3Confident63.1Low52 Ų52113.1 Ų113.132%0.31562%0.622SS.*  trans-116.5152.7166.1-175.60000107.4I589 L609 R652 D653I589-V650 HydrophobicContact CD1-CG2 4.42Å; L609-V650 HydrophobicContact CD2-CG2 3.97Å; V650-R652 PolarHBondContact O-N 3Å; V650-D653 PolarHBondContact N-OD2 3.05Å; V650-D653 VanDerWaalsContact O-CB 3.27Å; V650-D653 WeakPolarHBondContact O-CB 3.16Å; V650-D653 PolarHBondContact O-N 3.23Å
651E71Confident61.3Low178 Ų178116.9 Ų116.983%0.83264%0.638SS**G310 helixtrans-55.1-29-168.2-62.9-175.1143.300114.9D653 Q654E651-D653 PolarHBondContact O-N 2.83Å; E651-Q654 PolarHBondContact O-N 2.9Å
652R60.7Low59.5Low163 Ų163118.1 Ų118.162%0.61565%0.649SS**G310 helixtrans-75-0.9177-142.5-178.3-65148.87.9114.4E587 V650 Q654E587-R652 IonicContact OE1-CZ 2.74Å; E587-R652 IonicContact OE1-NH1 3.16Å; E587-R652 PolarHBondContact OE1-NH1 3.49Å; E587-R652 IonicContact OE1-NH2 3.14Å; E587-R652 PolarHBondContact OE1-NH2 3.48Å; E587-R652 IonicContact OE2-NH1 2.72Å; E587-R652 IonicContact OE2-NH2 2.72Å; V650-R652 PolarHBondContact O-N 3Å; R652-Q654 VanDerWaalsContact C-N 3.3Å
653D46.5Very low57.3Low51 Ų51121.3 Ų121.327%0.27366%0.659SS.*G310 helixtrans-78.7-11.1170.1-68-44.9000112.7Q611 T649 V650 E651Q611-D653 VanDerWaalsContact NE2-CG 3.33Å; Q611-D653 PolarHBondContact NE2-OD1 2.89Å; Q611-D653 PolarHBondContact NE2-OD2 3.06Å; Q611-D653 VanDerWaalsContact NE2-OD2 3.1Å; T649-D653 WeakPolarHBondContact CA-OD2 3.3Å; T649-D653 HydrophobicContact CG2-CB 4.3Å; V650-D653 PolarHBondContact N-OD2 3.05Å; V650-D653 VanDerWaalsContact O-CB 3.27Å; V650-D653 WeakPolarHBondContact O-CB 3.16Å; V650-D653 PolarHBondContact O-N 3.23Å; E651-D653 PolarHBondContact O-N 2.83Å
654Q35.4Very low55.5Low157 Ų157123.9 Ų123.973%0.73467%0.674SS**SBendtrans-78.4124.9172.9-63.6-170.119.800110.4E651 R652E651-Q654 PolarHBondContact O-N 2.9Å; R652-Q654 VanDerWaalsContact C-N 3.3Å
655P37.4Very low53.3Low116 Ų116123.9 Ų123.975%0.75367%0.674SS**PPolyproline II helixtrans-64.5137.5166.728.1-32.7000109.2
656L35.2Very low50.9Low164 Ų164126.4 Ų126.486%0.85968%0.682SS**PPolyproline II helixtrans-51130.7170.7-78.2161.4000109.4T658L656-T658 PolarHBondContact O-N 2.72Å; L656-T658 VanDerWaalsContact O-N 3.1Å
657P32.4Very low48.3Very low119 Ų119126.2 Ų126.277%0.77369%0.687SS**PPolyproline II helixtrans-62.2118.8-179.524.6-32.9000109.5
658T31.2Very low45.7Very low122 Ų122126.8 Ų126.875%0.74870%0.702SS**PPolyproline II helixtrans-59.6124.5171.539.70000109.1L656 E660L656-T658 PolarHBondContact O-N 2.72Å; L656-T658 VanDerWaalsContact O-N 3.1Å; T658-E660 PolarHBondContact O-N 2.79Å; T658-E660 VanDerWaalsContact O-N 3.16Å
659P38.9Very low42.7Very low127 Ų127130.2 Ų130.283%0.82573%0.729SS**PPolyproline II helixtrans-65.7117.2175.926.6-32.9000109.2
660E33.8Very low40.1Very low169 Ų169136.5 Ų136.579%0.7974%0.743SS**PPolyproline II helixtrans-66.3140.3176.4-65.5-168.6138.900110.6T658 H662T658-E660 PolarHBondContact O-N 2.79Å; T658-E660 VanDerWaalsContact O-N 3.16Å; E660-H662 PolarHBondContact O-N 2.89Å
661P38.6Very low37.4Very low124 Ų124140.7 Ų140.781%0.80576%0.764SS**PPolyproline II helixtrans-70.5121.8-178.528.3-33.8000110.9M663P661-M663 PolarHBondContact O-N 2.82Å
662H34.4Very low35.6Very low190 Ų190140.3 Ų140.388%0.8877%0.766SS**PPolyproline II helixtrans-56133.5176.9-62.1-73.1000112.5E660E660-H662 PolarHBondContact O-N 2.89Å
663M31.7Very low34.1Very low170 Ų170135.6 Ų135.684%0.83777%0.769SS**  trans-129147.1159.8-84.6-68.6-17600109.4P661P661-M663 PolarHBondContact O-N 2.82Å
664P36.1Very low33.6Very low115 Ų115142.5 Ų142.575%0.74780%0.802SS**PPolyproline II helixtrans-84.6130.6-161.431.6-35.3000113.8
665T30.9Very low33.3Very low138 Ų138139 Ų13985%0.84780%0.8SS**PPolyproline II helixtrans-83.7116.9170.8-48.80000110.7
666T31.3Very low33Very low128 Ų128138.3 Ų138.379%0.78580%0.798SS**PPolyproline II helixtrans-75.7127.4170.6480000111.4
667V33.1Very low32.7Very low125 Ų125137.1 Ų137.176%0.75879%0.792SS**PPolyproline II helixtrans-70.4155.7170-136.90000110.8
668P34.5Very low32.6Very low122 Ų122138 Ų13879%0.79280%0.795SS**  -131.6151.811637-30.5000113.5
669S28.1Very low32.5Very low104 Ų104136.7 Ų136.773%0.72779%0.791SS**  trans-84.3157.3-174.8-42.10000114.2
670Y33.9Very low32.2Very low232 Ų232138.3 Ų138.391%0.9179%0.79SS**  -144.5162123.750.8-97.4000109.8
671D30.8Very low32Very low141 Ų141137.3 Ų137.375%0.75479%0.785SS**  trans-117.3-173.6-150.8-141.4-40.5000113.4
672L33.8Very low31.5Very low169 Ų169138.6 Ų138.689%0.88578%0.784SS**  trans85.2127.2179.9-65.589.1000116.8
673G28.4Very low31.1Very low64 Ų64134.7 Ų134.766%0.6678%0.778SS**  cis145.2139.3-1500000115.2
674M35.2Very low30.9Very low196 Ų196131.7 Ų131.797%0.96677%0.774SS**  trans67.8145.6174.8-48.9-56.817500115.6
675A30.1Very low30.4Very low85 Ų85133 Ų13370%0.70278%0.775SS**  cis-140.8155.1-4.300000107.8
676S30.7Very low30.3Very low100 Ų100134.8 Ų134.870%0.69978%0.776SS**  54.8126.160.8-87.30000113.6
677D29Very low30Very low139 Ų139132.5 Ų132.574%0.74378%0.778SS**  cis-142.6-171.8-1.4-72.7-48.7000107.9
678T30.6Very low29.7Very low137 Ų137137.3 Ų137.384%0.8478%0.784SS**  cis-159.7176.227.5-37.60000110.8
679S29.5Very low30.3Very low95 Ų95137 Ų13766%0.66478%0.782SS**  trans-88.1162.6177.455.30000115.2
680M32.6Very low31.4Very low162 Ų162137.2 Ų137.280%0.79878%0.781SS**  trans152158.3139.6-80.1-85.9173.300111.3
681Q29.4Very low31.7Very low148 Ų148131.2 Ų131.269%0.69277%0.771SS**  -170.6122.5-58.2169.3168.6-5.100108.9
682L27.9Very low31.5Very low150 Ų150128.7 Ų128.779%0.78576%0.764SS**  trans54.1152163.1-95.977.3000122.5
683S25.2Very low31.2Very low108 Ų108129 Ų12976%0.75576%0.76SS**  trans74.9153.4150.673.70000119.5
684S27.4Very low31.2Very low107 Ų107131 Ų13175%0.74876%0.764SS**  cis-170.9165.3-26.8-93.40000109
685D25.5Very low30.8Very low144 Ų144128.5 Ų128.577%0.7775%0.753SS**  trans69.2121151.9-79.419.6000123.3
686M28.8Very low30.6Very low175 Ų175132.2 Ų132.286%0.86276%0.756SS**  69.4116.5125.9-60.7-70.7-9300121.2
687G26.4Very low30.3Very low80 Ų80131.4 Ų131.483%0.82575%0.75SS**  trans-178.192.9166.400000115.1
688Y27Very low30.2Very low225 Ų225133.3 Ų133.388%0.88275%0.752SS**  trans-109.1167.6162.9-78.1-83.1000108.9
689P45.5Very low29.9Very low117 Ų117136 Ų13676%0.7676%0.755SS**  cis-119.5-101.2-24.919.83.5000116
690P51.2Low29.7Very low108 Ų108138.3 Ų138.370%0.70176%0.76SS**  trans-117.7-155.4-132.843.5-23.9000112
691P41.8Very low29.3Very low106 Ų106138.2 Ų138.269%0.68876%0.762SS**  cis-143.4-179-2.144.5-25.6000118.5
692S26.5Very low30.1Very low87 Ų87136 Ų13661%0.60876%0.76SS**  trans86.4143136.9810000123.2
693H27.3Very low30Very low175 Ų175135.7 Ų135.781%0.8176%0.759SS**  trans62.9149153.3-61.3-48.4000119.9
694S26.7Very low30Very low107 Ų107138 Ų13875%0.74876%0.758SS**  cis-159.4177.5-12.2-105.40000112.2
695I27.4Very low29.9Very low144 Ų144140.7 Ų140.774%0.73876%0.758SS**  trans-83.2167.7-163.7-41.3163.6000113.9
696H25.7Very low29.9Very low162 Ų162138 Ų13875%0.7575%0.751SS**  trans95.8145.6159.1-65.3-67.2000118.2
697S25.6Very low29.8Very low83 Ų83137.5 Ų137.558%0.5875%0.75SS**  cis-163.2162.51.1-118.10000115.9
698F25.5Very low29.7Very low180 Ų180141 Ų14179%0.78975%0.75SS**  trans34.2133.5153.6-64-67.5000124.2
699Q24.8Very low29.7Very low194 Ų194136.9 Ų136.991%0.90775%0.748SS**  -164.1176.7111.8-109.3176.7-3.700113.4
700N25.6Very low28.8Very low143 Ų143138.7 Ų138.777%0.76575%0.75SS**  trans-110.6147.7-161.8-68.7-38.4000115.5
701L24.1Very low27.9Very low160 Ų160139.5 Ų139.584%0.83876%0.756SS**  trans2.9163.2132.2-75166.2000120.5
702P45.6Very low27.1Very low101 Ų101138.8 Ų138.866%0.65676%0.759SS**  cis-142.4-158.96.926.32000115.7
703L26.2Very low27.1Very low144 Ų144145.1 Ų145.175%0.75478%0.776SS**  trans76.3147.3167-86.465.6000116.9
704E24.5Very low27Very low156 Ų156144.5 Ų144.573%0.72977%0.773SS**  cis-141.9168.71.9-119.3179.7177.100112.9
705E26Very low27.1Very low163 Ų163147.4 Ų147.476%0.76278%0.775SS**  trans20.8159.3145.8-61-136.4130.400123.7
706S25.6Very low27Very low87 Ų87144.5 Ų144.561%0.60877%0.772SS**  cis-176.5157.1-19.3-91.90000108.1
707I25.9Very low27.9Very low166 Ų166142.1 Ų142.185%0.85177%0.771SS**  trans172.3138143.9-93.4156.3000111.1
708N25.7Very low27.9Very low153 Ų153146.5 Ų146.582%0.81878%0.782SS**  trans-102.5149.3173.4-84.1-52.8000111.8
709V25.8Very low28Very low138 Ų138145.1 Ų145.184%0.83678%0.782SS**  trans-139.3127.8150-176.60000109.7
710L28.1Very low27.9Very low156 Ų156144.3 Ų144.382%0.81778%0.778SS**  trans-117.8146.2169.4-82.3165.4000109.4
711P32.6Very low28.1Very low125 Ų125145.9 Ų145.981%0.81278%0.783SS**  trans-90.4149.8156.534.8-29.5000111
712A25Very low28.7Very low91 Ų91143.5 Ų143.575%0.75278%0.777SS**  trans-113.6163.6-172.100000113.8
713F25Very low28.8Very low220 Ų220144.3 Ų144.397%0.96578%0.783SS**  trans-143.4156.3159.2-93.1-79.8000109.4
714Q26.6Very low28.8Very low162 Ų162145.2 Ų145.276%0.75779%0.788SS**  trans-103.3143.5-160.6-67.8178.8-101.800115
715E27.2Very low28.9Very low167 Ų167144.8 Ų144.878%0.7879%0.788SS**  35.7145.8124.1-58.6173.5122.100120.2
716A26.2Very low28.9Very low84 Ų84143.3 Ų143.369%0.69479%0.785SS**  cis-173.4-169.8-4.800000106.9
717P44.1Very low29Very low111 Ų111146 Ų14672%0.72179%0.788SS**  cis-133.2164.7-3.538.1-18.7000117.9
718H26.9Very low29Very low175 Ų175146 Ų14681%0.8179%0.786SS**  trans-7149.9160.3-43.2-69000123
719L26Very low28.9Very low152 Ų152144 Ų14480%0.79679%0.785SS**  -158.1122.6113.7-107.3172.1000114.4
720Q24Very low29.2Very low176 Ų176144.6 Ų144.682%0.82278%0.783SS**  trans29.7129.3152.4-70.4168.6-6.600123.7
721M29.7Very low29.8Very low177 Ų177142.5 Ų142.587%0.87278%0.778SS**  trans-115.2154.4143.7-77.6-116.169.600109.4
722P35.6Very low29.5Very low110 Ų110145.3 Ų145.371%0.71478%0.778SS**  trans-119.1159.2150.525.9-9.6000113.1
723P49.1Very low29.5Very low118 Ų118148.2 Ų148.277%0.76678%0.781SS**  trans-114.3-178.7-163.743-34.9000114.4
724N24.7Very low29.8Very low163 Ų163144.5 Ų144.587%0.87277%0.766SS**  trans-158.8164.1136.9-124.7-32.8000114.8
725M26.9Very low30.4Very low147 Ų147142.4 Ų142.472%0.72477%0.767SS**  trans-127.5158.4179.1-75.3-169.469.100112.9
726N26.6Very low30.6Very low131 Ų131141.6 Ų141.670%0.70176%0.763SS**  trans150.2131.7141.3-76-20.3000110.4
727Q27.1Very low31.5Very low145 Ų145143.1 Ų143.168%0.67877%0.766SS**  59.6129.570.4-62.7-168.329.700111.3
728M26.1Very low30.8Very low164 Ų164146.7 Ų146.781%0.80877%0.773SS**  cis-149.9176.927.5-102.1167.1-146.600109.8
729S24.2Very low30.8Very low112 Ų112141.9 Ų141.978%0.78377%0.771SS**  cis-163.1-160.1-6.751.80000110.7
730L30.7Very low30.8Very low151 Ų151142 Ų14279%0.79177%0.772SS**  trans-104.1172.9175.2-96.8167.3000111.2
731P42.1Very low31Very low112 Ų112140.4 Ų140.473%0.72777%0.768SS**  cis-151.6177.148.343.8-21.8000120.8
732F26.8Very low30.7Very low183 Ų183139.6 Ų139.680%0.80376%0.762SS**  trans15.1143.3150.4-84.4-102.1000121.4
733D24.3Very low30.1Very low153 Ų153139.2 Ų139.282%0.81876%0.761SS**  -157.3175.371.4-144-16000116.6
734Q30.6Very low28.9Very low141 Ų141142.8 Ų142.866%0.65977%0.767SS**  trans-150.7152.6-180-161-164.638.500112.9
735P39.9Very low29Very low119 Ų119140 Ų14077%0.77376%0.761SS**  trans-140.7167.6135.930.4-12.9000116.7
736H31.1Very low29Very low149 Ų149141.5 Ų141.569%0.6977%0.766SS**  trans-123.8163.1163.9-88.430.9000109
737P44.9Very low29Very low116 Ų116142.3 Ų142.375%0.75377%0.765SS**  -130.7148.3103.7913.4000111.8
738Q30Very low29Very low186 Ų186144.6 Ų144.687%0.86978%0.776SS**  62.6133.961.1-63.7-171.9-8.800113.9
739G26.1Very low29Very low75 Ų75141.1 Ų141.177%0.77377%0.773SS**  cis-163.8-152.7-2.700000108.3
740L27.4Very low29Very low155 Ų155142.6 Ų142.681%0.81278%0.777SS**  cis-172.3169.1-13.1-133.5177.8000107.5
741L26.3Very low28.7Very low142 Ų142140.2 Ų140.274%0.74377%0.773SS**  trans70.6160.2168.4-56.1172.2000118.2
742Q25.3Very low28.1Very low159 Ų159140.2 Ų140.274%0.74378%0.775SS**  cis-165.2152.5-38.2-162.3175.99.200111
743C21.8Very low28.8Very low103 Ų103136.1 Ų136.170%0.69677%0.768SS**  trans27.5145.4157-72.70000125.9
744Q24.8Very low28.9Very low193 Ų193137.4 Ų137.490%0.90277%0.769SS**  trans85.3174.7140.9-83.2177.90.800120.1
745S25.8Very low29.2Very low105 Ų105135.4 Ų135.473%0.73477%0.768SS**  trans-149.5143.6-139.352.70000111.9
746Q27Very low28.6Very low178 Ų178137.1 Ų137.183%0.83277%0.77SS**  trans-159.6168.1140.8-120.5-175.8-55.400115.1
747E26.7Very low28.3Very low147 Ų147138 Ų13869%0.68778%0.779SS**  trans-64.1161.7-171.6-56.8141.6110.100115.1
748H27.9Very low27.4Very low194 Ų194137.7 Ų137.790%0.89878%0.778SS**  -154.9136.7121.4-104.5-67.7000110.7
749A25.5Very low27.6Very low90 Ų90134.8 Ų134.874%0.74478%0.775SS**  trans-135.5147.9174.600000110.2
750V25.2Very low27.5Very low143 Ų143138.6 Ų138.687%0.86778%0.778SS**  trans-145.8153.3175.5-177.50000109.3
751S24.3Very low27.5Very low101 Ų101137.8 Ų137.871%0.70678%0.779SS**  trans-138171-157.9-42.30000112.4
752S27.7Very low27.4Very low112 Ų112136.7 Ų136.778%0.78378%0.778SS**  cis-146-73.66.6-5.10000116.6
753P42.1Very low27.3Very low98 Ų98137.2 Ų137.264%0.63678%0.783SS**  trans-133.5149.9-131.540-24.2000119.5
754E26.3Very low27.4Very low180 Ų180136.5 Ų136.584%0.84178%0.784SS**  trans62.8167134.2-75.7-169147.100122.2
755P37.6Very low27.5Very low98 Ų98136.5 Ų136.564%0.63678%0.784SS**  cis-135.4174.6-2831.8-12.7000115.3
756L26.4Very low27.5Very low156 Ų156138.6 Ų138.682%0.81779%0.787SS**  trans46.2127.7145.4-69.7163.8000121.8
757L26Very low27.3Very low168 Ų168135.1 Ų135.188%0.8878%0.782SS**  -176.8149.4106-98.4166.8000112.9
758C25.5Very low27.2Very low109 Ų109134.1 Ų134.174%0.73679%0.79SS**  trans-90.1169.4169.4-59.70000111.2
759P33.9Very low27Very low125 Ų125133 Ų13381%0.81279%0.79SS**  trans-136.8129.6130.935.2-23.4000114.1
760D25.2Very low26.9Very low155 Ų155134.5 Ų134.583%0.82979%0.79SS**  trans-90.5132155.3-74.8-58.2000109.4
761V26Very low26.9Very low137 Ų137136 Ų13683%0.8379%0.788SS**  trans-142.4150154.3-175.10000108.5
762T24.4Very low27Very low120 Ų120137.1 Ų137.174%0.73679%0.793SS**  trans-96.2-159.6-160.752.70000114.6
763M24.5Very low27.1Very low169 Ų169138.4 Ų138.483%0.83380%0.795SS**  trans94.8129.9173.2-50.5-58.5-80.600115
764A24Very low26.2Very low88 Ų88137.4 Ų137.473%0.72780%0.802SS**  cis-158.2164-11.900000110.6
765E26.4Very low26Very low193 Ų193132.4 Ų132.490%0.90280%0.8SS**  trans-87.1142.9163.9-58.8178.2118.800109.9
766D24.3Very low25.4Very low150 Ų150137.9 Ų137.980%0.80281%0.814SS**  -167.9146.9128.7-134.9-33.4000115.3
767S23.5Very low25.4Very low104 Ų104136.4 Ų136.473%0.72781%0.814SS**  trans49.1145.1144.8-73.90000124.7
768C25.2Very low25.2Very low126 Ų126137.7 Ų137.785%0.85182%0.815SS**  trans-82.3157.6173-45.80000112.8
769L23.4Very low25.1Very low172 Ų172135.5 Ų135.590%0.90181%0.811SS**  trans-156.4162.8147.1-113.2173.4000112.4
770T23.2Very low24.5Very low121 Ų121136.2 Ų136.274%0.74281%0.813SS**  trans-101.2144.6-170.350.50000113.6
771Q24.3Very low24.3Very low175 Ų175140.6 Ų140.682%0.81882%0.818SS**  trans41.8140.8145.4-94.3-168.319.800120.8
772P26.9Very low24.2Very low124 Ų124140.7 Ų140.781%0.80582%0.819SS**  -146.2179.271.139-20.4000116.5
773V30.7Very low24.1Very low139 Ų139138.4 Ų138.484%0.84282%0.819SS**  trans-103.7138.9177.2173.60000110.8
774G22.8Very low24Very low76 Ų76139.8 Ų139.878%0.78482%0.823SS**  trans171.6146.5166.800000111.4
775G22.3Very low24.1Very low76 Ų76142.5 Ų142.578%0.78483%0.831SS**  cis-171.3153.3-7.100000110.4
776F23.8Very low23.9Very low212 Ų212136.6 Ų136.693%0.9382%0.822SS**PPolyproline II helixtrans-86.1149.2176.3-82.3-93000111.5
777P26.6Very low24Very low126 Ų126138.4 Ų138.482%0.81883%0.83SS**PPolyproline II helixtrans-72.3145.7-173.129.4-35.5000113.1
778Q22Very low24Very low194 Ų194137 Ų13791%0.90783%0.832SS**PPolyproline II helixtrans-97.7121.8-173.8-170175.11500111.2
779G23Very low23.9Very low63 Ų63138.9 Ų138.965%0.64983%0.834SS**PPolyproline II helixtrans-80.3131.817300000112
780T21.6Very low24Very low140 Ų140142 Ų14286%0.85983%0.834SS**PPolyproline II helixtrans-70.7134.6179.624.50000112.7
781W22.3Very low24.1Very low248 Ų248143 Ų14394%0.93984%0.839SS**  trans-108125.3161.5-79.781.6000109.4
782V23.5Very low24.2Very low139 Ų139142.2 Ų142.284%0.84284%0.839SS**  trans-89.6131.2167.3178.60000107.4
783G21.6Very low24Very low71 Ų71144.7 Ų144.773%0.73284%0.84SS**  trans-98155.7177.500000112.3
784E22.7Very low23.7Very low199 Ų199146.3 Ų146.393%0.9384%0.838SS**  trans-135163.6165.1-148.3169.8-148.500110.5
785V25.5Very low23.8Very low145 Ų145149.5 Ų149.588%0.87984%0.838SS**  trans-93.7136.3-156.4-177.40000112.3
786G23Very low23.9Very low69 Ų69154.1 Ų154.171%0.71184%0.841SS**  trans-90.3157-177.500000115.4
787L26.3Very low24Very low188 Ų188152 Ų15298%0.98483%0.831SS**  trans-141.3126.2157.6-101.3161.5000106
788G23Very low23.9Very low75 Ų75150.9 Ų150.977%0.77382%0.824SS**  trans-129.5179.9-161.700000115.1
789N24.1Very low24.2Very low165 Ų165147.3 Ų147.388%0.88282%0.818SS**  trans-149.8162.3157.5-136-27.5000110.9
790R25.6Very low24.8Very low237 Ų237149.9 Ų149.989%0.89482%0.816SS**  trans-79.8131.8-170.4-68175.3174.3169.7-3.5113.1
791T24.9Very low25.3Very low141 Ų141150.4 Ų150.487%0.86581%0.813SS**  trans-136.4167.1153.2-24.40000109.4
792I25.5Very low26.2Very low159 Ų159140.9 Ų140.982%0.81578%0.783SS**  trans-82.6147.1-162.8-61.1167.6000111.5E794I792-E794 PolarHBondContact O-N 3.14Å
793H22.6Very low27.3Very low176 Ų176136.2 Ų136.282%0.81576%0.756SS**  trans-65.5125.2171-98.2-102.8000111.4
794E25.2Very low28.7Very low173 Ų173136.3 Ų136.381%0.80874%0.742SS**  trans-104.4137.8153-70.4-169.8124.300109I792 M796I792-E794 PolarHBondContact O-N 3.14Å; E794-M796 VanDerWaalsContact C-N 3.28Å; E794-M796 PolarHBondContact O-N 3.15Å
795D24.4Very low30Very low144 Ų144130.6 Ų130.677%0.7772%0.715SS**  trans-75.678.2177-74.2-41.1000110.9F797D795-F797 PolarHBondContact O-N 2.97Å
796M24.2Very low31Very low173 Ų173131 Ų13185%0.85271%0.707SS**  trans-65.398.5167.9-80.1-172.464.400110.3E794E794-M796 VanDerWaalsContact C-N 3.28Å; E794-M796 PolarHBondContact O-N 3.15Å
797F26.5Very low32.6Very low166 Ų166131.1 Ų131.173%0.72869%0.692SS**  trans-53.8135.7164.8-70.5-89.7000109.9D795D795-F797 PolarHBondContact O-N 2.97Å
798P24.2Very low34.1Very low104 Ų104123 Ų12368%0.67565%0.649SS**  trans-61.3136.5176.925.9-33.8000109.7L800P798-L800 PolarHBondContact O-N 3.09Å
799P28.1Very low35.7Very low119 Ų119120.6 Ų120.677%0.77362%0.62SS**  trans-64.7112.1-178.525.7-33.4000109.6L801P799-L801 PolarHBondContact O-N 3.2Å
800L36.8Very low37.4Very low116 Ų116118.3 Ų118.361%0.60760%0.602SS**PPolyproline II helixtrans-62.2120.9171.3-68.7174.9000108.2Q104 P798Q104-L800 PolarHBondContact NE2-O 3.05Å; P798-L800 PolarHBondContact O-N 3.09Å
801L32.5Very low39Very low151 Ų151110 Ų11079%0.79158%0.575SS**PPolyproline II helixtrans-56.7152.3172.8-68.4171.4000109.9P799P799-L801 PolarHBondContact O-N 3.2Å
802P40Very low40.6Very low48 Ų48103.5 Ų103.531%0.31254%0.535SS..PPolyproline II helixtrans-54.5143.7171.125.2-34.5000109.6T804P802-T804 PolarHBondContact O-N 2.93Å
803P47Very low42.1Very low42 Ų4298 Ų9827%0.27351%0.507SS..PPolyproline II helixtrans-53.6132.6-176.123-34.2000109.9D807 L808P803-D807 HydrophobicContact CB-CB 4.21Å; P803-L808 HydrophobicContact CB-CD2 4.34Å; P803-L808 HydrophobicContact CB-CG 4.17Å; P803-L808 HydrophobicContact CG-CD1 4.27Å; P803-L808 HydrophobicContact CG-CD2 3.95Å; P803-L808 HydrophobicContact CG-CG 4.01Å
804T50.4Low43.5Very low72 Ų7294.3 Ų94.344%0.44249%0.49SS..PPolyproline II helixtrans-65.3164.3-170.972.80000110.5P802 Q806 D807 L808P802-T804 PolarHBondContact O-N 2.93Å; T804-Q806 PolarHBondContact O-N 3.34Å; T804-Q806 VanDerWaalsContact O-N 3.13Å; T804-Q806 PolarHBondContact OG1-N 3.06Å; T804-D807 WeakPolarHBondContact CA-OD2 3.4Å; T804-D807 VanDerWaalsContact CB-OD2 3.26Å; T804-D807 WeakPolarHBondContact CB-OD2 3.46Å; T804-D807 WeakPolarHBondContact CG2-OD2 3.39Å; T804-D807 PolarHBondContact N-OD2 3.4Å; T804-D807 PolarHBondContact O-N 2.8Å; T804-D807 VanDerWaalsContact O-N 3.08Å; T804-D807 PolarHBondContact OG1-N 2.77Å; T804-D807 PolarHBondContact OG1-OD2 2.57Å; T804-L808 PolarHBondContact O-N 2.84Å; T804-L808 VanDerWaalsContact O-N 3.1Å
805E49.6Very low44.5Very low79 Ų7987.5 Ų87.537%0.36947%0.466SS..Hα-helixtrans-64.1-19.2176.7-57-159.2166.800113.5K129 K199 T809K129-E805 VanDerWaalsContact NZ-CG 3.29Å; K129-E805 IonicContact NZ-OE1 2.73Å; K129-E805 PolarHBondContact NZ-OE1 3.47Å; K199-E805 PolarHBondContact NZ-O 3.48Å; K199-E805 IonicContact NZ-OE2 3.61Å; E805-T809 WeakPolarHBondContact O-CB 3.41Å; E805-T809 PolarHBondContact O-OG1 2.78Å
806Q46.8Very low45.6Very low153 Ų15382 Ų8272%0.71544%0.436SS*.Hα-helixtrans-76.3-46.5172.4-67178.4-12.100109.5T804 T809 K810T804-Q806 PolarHBondContact O-N 3.34Å; T804-Q806 VanDerWaalsContact O-N 3.13Å; T804-Q806 PolarHBondContact OG1-N 3.06Å; Q806-T809 PolarHBondContact O-N 3.26Å; Q806-K810 VanDerWaalsContact O-CB 3.23Å; Q806-K810 WeakPolarHBondContact O-CB 3.33Å; Q806-K810 PolarHBondContact O-N 3.16Å
807D57.6Low46.4Very low72 Ų7275.7 Ų75.739%0.38542%0.416SS..Hα-helixtrans-59-52.4179.8-54.9-47.9000112.6P803 T804 T809 K810 L811P803-D807 HydrophobicContact CB-CB 4.21Å; T804-D807 WeakPolarHBondContact CA-OD2 3.4Å; T804-D807 VanDerWaalsContact CB-OD2 3.26Å; T804-D807 WeakPolarHBondContact CB-OD2 3.46Å; T804-D807 WeakPolarHBondContact CG2-OD2 3.39Å; T804-D807 PolarHBondContact N-OD2 3.4Å; T804-D807 PolarHBondContact O-N 2.8Å; T804-D807 VanDerWaalsContact O-N 3.08Å; T804-D807 PolarHBondContact OG1-N 2.77Å; T804-D807 PolarHBondContact OG1-OD2 2.57Å; D807-T809 VanDerWaalsContact C-N 3.26Å; D807-T809 PolarHBondContact O-N 2.86Å; D807-K810 PolarHBondContact O-N 3.27Å; D807-L811 WeakPolarHBondContact O-CB 3.42Å; D807-L811 VanDerWaalsContact O-CG 3.28Å; D807-L811 WeakPolarHBondContact O-CG 3.27Å; D807-L811 PolarHBondContact O-N 3.21Å
808L58Low46.9Very low17 Ų1774.8 Ų74.89%0.08941%0.413CS..Hα-helixtrans-62.9-33.4179.6-72.9177000112.5P803 T804 L812P803-L808 HydrophobicContact CB-CD2 4.34Å; P803-L808 HydrophobicContact CB-CG 4.17Å; P803-L808 HydrophobicContact CG-CD1 4.27Å; P803-L808 HydrophobicContact CG-CD2 3.95Å; P803-L808 HydrophobicContact CG-CG 4.01Å; T804-L808 PolarHBondContact O-N 2.84Å; T804-L808 VanDerWaalsContact O-N 3.1Å; L808-L812 WeakPolarHBondContact O-CB 3.26Å; L808-L812 WeakPolarHBondContact O-CD1 3.36Å; L808-L812 VanDerWaalsContact O-CG 3.26Å; L808-L812 WeakPolarHBondContact O-CG 3.22Å; L808-L812 PolarHBondContact O-N 3.16Å
809T55.6Low47.1Very low25 Ų2573 Ų7315%0.15341%0.408CS..Hα-helixtrans-74.8-46.5178.2-57.10000111K199 I203 E805 Q806 D807 L811 L812 L813K199-T809 WeakPolarHBondContact CD-OG1 3.25Å; K199-T809 WeakPolarHBondContact CE-OG1 3.46Å; K199-T809 PolarHBondContact NZ-OG1 3.32Å; I203-T809 HydrophobicContact CD1-CG2 4.04Å; I203-T809 HydrophobicContact CG1-CG2 4.12Å; E805-T809 WeakPolarHBondContact O-CB 3.41Å; E805-T809 PolarHBondContact O-OG1 2.78Å; Q806-T809 PolarHBondContact O-N 3.26Å; D807-T809 VanDerWaalsContact C-N 3.26Å; D807-T809 PolarHBondContact O-N 2.86Å; T809-L811 VanDerWaalsContact C-N 3.34Å; T809-L811 PolarHBondContact O-N 3.42Å; T809-L812 PolarHBondContact O-N 2.92Å; T809-L813 HydrophobicContact CG2-CD1 4.12Å; T809-L813 WeakPolarHBondContact O-CG 3.27Å; T809-L813 PolarHBondContact O-N 2.91Å; T809-L813 VanDerWaalsContact O-N 3.1Å
810K60.5Low47.1Very low117 Ų11770.7 Ų70.751%0.50941%0.405SS..Hα-helixtrans-57.3-47.7177.9-177.2179.8178.6-171.30110.6Q806 D807 L812 L813 E814Q806-K810 VanDerWaalsContact O-CB 3.23Å; Q806-K810 WeakPolarHBondContact O-CB 3.33Å; Q806-K810 PolarHBondContact O-N 3.16Å; D807-K810 PolarHBondContact O-N 3.27Å; K810-L812 PolarHBondContact O-N 3.46Å; K810-L813 CarbonylContact O-C 3.58Å; K810-L813 PolarHBondContact O-N 2.87Å; K810-E814 WeakPolarHBondContact CE-OE1 3.3Å; K810-E814 WeakPolarHBondContact CE-OE2 3.16Å; K810-E814 HydrophobicContact CG-CG 4.24Å; K810-E814 WeakPolarHBondContact CG-OE2 3.19Å; K810-E814 IonicContact NZ-OE1 3.12Å; K810-E814 WeakPolarHBondContact O-CB 3.28Å; K810-E814 WeakPolarHBondContact O-CG 3.49Å; K810-E814 PolarHBondContact O-N 3.28Å
811L58.7Low46.7Very low62 Ų6269.6 Ų69.633%0.32542%0.422SS..Hα-helixtrans-69-30.3179.3-64.8169.4000113.4H122 D807 T809 L813 G815H122-L811 VanDerWaalsContact CE1-CD1 3.42Å; H122-L811 WeakPolarHBondContact CE1-CD1 3.47Å; D807-L811 WeakPolarHBondContact O-CB 3.42Å; D807-L811 VanDerWaalsContact O-CG 3.28Å; D807-L811 WeakPolarHBondContact O-CG 3.27Å; D807-L811 PolarHBondContact O-N 3.21Å; T809-L811 VanDerWaalsContact C-N 3.34Å; T809-L811 PolarHBondContact O-N 3.42Å; L811-L813 VanDerWaalsContact C-N 3.27Å; L811-L813 PolarHBondContact O-N 3.39Å; L811-G815 PolarHBondContact O-N 3.06Å
812L59Low46.3Very low5 Ų565.1 Ų65.13%0.02641%0.413CS..Hα-helixtrans-68.3-23.8170-82172.3000113.8H122 Q123 E126 I203 L808 T809 K810H122-L812 HydrophobicContact CB-CD2 3.64Å; H122-L812 HydrophobicContact CB-CG 3.93Å; Q123-L812 HydrophobicContact CB-CD2 4.48Å; Q123-L812 HydrophobicContact CG-CD2 3.66Å; E126-L812 HydrophobicContact CB-CD1 4.15Å; E126-L812 HydrophobicContact CG-CD1 4.19Å; I203-L812 HydrophobicContact CD1-CD1 4.12Å; L808-L812 WeakPolarHBondContact O-CB 3.26Å; L808-L812 WeakPolarHBondContact O-CD1 3.36Å; L808-L812 VanDerWaalsContact O-CG 3.26Å; L808-L812 WeakPolarHBondContact O-CG 3.22Å; L808-L812 PolarHBondContact O-N 3.16Å; T809-L812 PolarHBondContact O-N 2.92Å; K810-L812 PolarHBondContact O-N 3.46Å
813L57.2Low45.6Very low45 Ų4568.9 Ų68.924%0.23644%0.44CS..Hα-helixtrans-93.7-34.5178.1-66.2177000112.6I203 R206 V435 T809 K810 L811I203-L813 HydrophobicContact CG2-CD2 4.48Å; R206-L813 HydrophobicContact CB-CD2 4.03Å; R206-L813 HydrophobicContact CG-CD2 3.62Å; V435-L813 HydrophobicContact CG2-CD1 4.23Å; T809-L813 HydrophobicContact CG2-CD1 4.12Å; T809-L813 WeakPolarHBondContact O-CG 3.27Å; T809-L813 PolarHBondContact O-N 2.91Å; T809-L813 VanDerWaalsContact O-N 3.1Å; K810-L813 CarbonylContact O-C 3.58Å; K810-L813 PolarHBondContact O-N 2.87Å; L811-L813 VanDerWaalsContact C-N 3.27Å; L811-L813 PolarHBondContact O-N 3.39Å
814E50.8Low44.5Very low98 Ų9874.3 Ų74.346%0.45847%0.466SS..Hα-helixtrans-84.9-37.9-178.2-71-179.7158.600113.1K810 Q816K810-E814 WeakPolarHBondContact CE-OE1 3.3Å; K810-E814 WeakPolarHBondContact CE-OE2 3.16Å; K810-E814 HydrophobicContact CG-CG 4.24Å; K810-E814 WeakPolarHBondContact CG-OE2 3.19Å; K810-E814 IonicContact NZ-OE1 3.12Å; K810-E814 WeakPolarHBondContact O-CB 3.28Å; K810-E814 WeakPolarHBondContact O-CG 3.49Å; K810-E814 PolarHBondContact O-N 3.28Å; E814-Q816 PolarHBondContact O-N 2.85Å
815G46.8Very low43.3Very low29 Ų2973.8 Ų73.830%0.29948%0.475SS..G310 helixtrans-67.8-3.5-174.100000115.8V119 L811 G817V119-G815 WeakPolarHBondContact CG2-O 3.4Å; L811-G815 PolarHBondContact O-N 3.06Å; G815-G817 PolarHBondContact O-N 2.85Å
816Q48.5Very low42.1Very low28 Ų2874.6 Ų74.613%0.13149%0.485CS..G310 helixtrans-74.9-5-172.5-55.6-148.3-74.800114.8T215 E814 E818T215-Q816 HydrophobicContact CG2-CB 4.3Å; E814-Q816 PolarHBondContact O-N 2.85Å; Q816-E818 VanDerWaalsContact C-N 3.34Å
817G39.1Very low41.1Very low42 Ų4275.9 Ų75.943%0.43349%0.491SS..G310 helixtrans-66-31172.700000114.1G815 A819G815-G817 PolarHBondContact O-N 2.85Å; G817-A819 PolarHBondContact O-N 3.34Å
818E38.6Very low39.6Very low146 Ų14678.1 Ų78.168%0.68251%0.509SS*.  trans-104.454.9-171.5-63.5-156.6134.700114.2H116 Q816 G820H116-E818 IonicContact CE1-OE2 2.6Å; H116-E818 IonicContact ND1-OE2 3Å; H116-E818 IonicContact NE2-OE2 3.82Å; Q816-E818 VanDerWaalsContact C-N 3.34Å; E818-G820 VanDerWaalsContact C-N 3.27Å; E818-G820 PolarHBondContact O-N 3.46Å
819A28.2Very low38Very low68 Ų6885.1 Ų85.156%0.56255%0.546SS*.  trans-892217200000113.9P216 G817 G821P216-A819 HydrophobicContact CG-CB 3.93Å; G817-A819 PolarHBondContact O-N 3.34Å; A819-G821 PolarHBondContact O-N 2.85Å
820G28.1Very low36.9Very low69 Ų6991.8 Ų91.871%0.71158%0.58SS**  trans-92.781.3-17700000113.6E818 G822E818-G820 VanDerWaalsContact C-N 3.27Å; E818-G820 PolarHBondContact O-N 3.46Å; G820-G822 VanDerWaalsContact C-N 3.3Å; G820-G822 PolarHBondContact O-N 2.84Å
821G27.3Very low35Very low93 Ų9395.1 Ų95.196%0.95960%0.597SS**  trans-69.570.9-178.800000115.3A819A819-G821 PolarHBondContact O-N 2.85Å
822G24.8Very low33.5Very low58 Ų5898.2 Ų98.260%0.59862%0.621SS**SBendtrans-141.6140.7173.800000111.3G820 L824G820-G822 VanDerWaalsContact C-N 3.3Å; G820-G822 PolarHBondContact O-N 2.84Å; G822-L824 PolarHBondContact O-N 2.78Å
823S25.6Very low31.9Very low126 Ų126102.8 Ų102.888%0.88165%0.654SS**  trans-6190.2-167179.90000115G825S823-G825 PolarHBondContact O-N 2.85Å
824L24.5Very low30.5Very low156 Ų156106.8 Ų106.882%0.81768%0.682SS**  trans-76.3106.6154.4-74.3170.3000108.5G822G822-L824 PolarHBondContact O-N 2.78Å
825G24.2Very low29.4Very low61 Ų61110.6 Ų110.663%0.62969%0.693SS**  trans-74.8135.8170.100000110.1S823 Q827S823-G825 PolarHBondContact O-N 2.85Å; G825-Q827 PolarHBondContact O-N 3.33Å
826V24.6Very low28.6Very low96 Ų96112.9 Ų112.958%0.58272%0.717SS**  trans-69.6114.9168.6-1790000107.5F114F114-V826 HydrophobicContact CE1-CG2 3.97Å
827Q25.7Very low27.6Very low181 Ų181120.7 Ų120.785%0.84675%0.754SS**  trans-107.3138.3161.9-80.8-168.2-41.700109.2G825G825-Q827 PolarHBondContact O-N 3.33Å
828P25Very low27.3Very low119 Ų119124.4 Ų124.477%0.77377%0.77SS**  trans-72.2170.4176.232.2-35.9000111.8L830P828-L830 PolarHBondContact O-N 2.81Å
829L25.3Very low26.6Very low163 Ų163121.3 Ų121.385%0.85378%0.777SS**SBendtrans-34.9122.7-179.5-72.8155.9000115.7
830L31.7Very low26.7Very low165 Ų165125.2 Ų125.286%0.86479%0.787SS**  trans48.187.4149.4-70.3164.4000117.5P828P828-L830 PolarHBondContact O-N 2.81Å
831Q22.4Very low26.5Very low187 Ų187127.6 Ų127.687%0.87479%0.793SS**  trans-120.2142.1142.5-72.4-169-23.100109.8
832P25.9Very low26.4Very low128 Ų128131.4 Ų131.483%0.83179%0.788SS**  trans-71.7133.3-178.828.8-33.9000111.5
833S25.8Very low26.5Very low101 Ų101133.8 Ų133.871%0.70680%0.795SS**  trans-74154.5175.6-133.40000111.4Y835S833-Y835 VanDerWaalsContact C-N 3.34Å; S833-Y835 PolarHBondContact O-N 3.1Å
834P27.9Very low26.6Very low128 Ų128136 Ų13683%0.83179%0.792SS**SBendtrans-81.967.7-160.634-37.7000114.4
835Y28Very low26.6Very low178 Ų178136.5 Ų136.570%0.69879%0.794SS**  trans-91.2112.8156.8-78.4-87.4000108.8S833 Q837S833-Y835 VanDerWaalsContact C-N 3.34Å; S833-Y835 PolarHBondContact O-N 3.1Å; Y835-Q837 PolarHBondContact O-N 3.16Å
836G29.4Very low26.7Very low78 Ų78139.9 Ų139.980%0.80480%0.798SS**  trans-69.2124-169.500000113.6
837Q27.9Very low26.8Very low192 Ų192143.4 Ų143.490%0.89781%0.812SS**  trans-73.6131.7167.3-69.4-177-35.100110.8Y835Y835-Q837 PolarHBondContact O-N 3.16Å
838P32.1Very low26.8Very low120 Ų120145.2 Ų145.278%0.77981%0.811SS**  trans-78.4114.6158.431.3-29.2000108.9I840P838-I840 PolarHBondContact O-N 3.43Å
839G25.4Very low27Very low80 Ų80145.3 Ų145.383%0.82581%0.81SS**  trans-77.7120176.900000111.9
840I28.4Very low27Very low151 Ų151145.1 Ų145.177%0.77481%0.81SS**  trans-126123.9162.5-61.3-178.8000107.6P838P838-I840 PolarHBondContact O-N 3.43Å
841S24.5Very low27.5Very low119 Ų119142.6 Ų142.683%0.83280%0.803SS**  trans-83127.3172.7-173.70000109.6
842M25.4Very low27.5Very low173 Ų173138.6 Ų138.685%0.85280%0.796SS**  trans-137.3144.1163.1-92.8-63-163.600109.4
843S26.9Very low27.8Very low108 Ų108148.1 Ų148.176%0.75582%0.816SS**  trans-80.4163.6-169.851.20000113.9L845S843-L845 PolarHBondContact O-N 3.31Å
844H26.7Very low27.9Very low173 Ų173150.5 Ų150.580%0.80182%0.821SS**  trans-37.7132.5166.1-91.3-105.4000113.4
845L25.5Very low27.9Very low166 Ų166151.7 Ų151.787%0.86982%0.821SS**  trans-143.8115.9142.1-144.178.8000109.2S843S843-L845 PolarHBondContact O-N 3.31Å
846D26.2Very low27.8Very low132 Ų132150.2 Ų150.271%0.70683%0.827SS**  trans-69.3143.4164.9-105.7-65.9000109.6
847L26.5Very low27.8Very low169 Ų169154.5 Ų154.589%0.88583%0.829SS**  trans-166.9150.7141.1-107.6167000111
848R26.7Very low27.7Very low220 Ų220152.1 Ų152.183%0.8382%0.824SS**  trans-99147.7-171.3-60.4178.3176.9173.3-2.5112.7
849T29.5Very low27.5Very low120 Ų120154.3 Ų154.374%0.73683%0.827SS**  trans34.6114143.658.60000119.4
850N24.9Very low27.6Very low160 Ų160159.6 Ų159.686%0.85683%0.828SS**  -165157.5112.5-104.6-18.4000112.8
851P41.1Very low27.5Very low112 Ų112160.2 Ų160.273%0.72783%0.832SS**  trans-101.3152.1-179.938.3-33.2000113.4
852S24Very low27.8Very low103 Ų103163.7 Ų163.772%0.7283%0.832SS**  trans176.7153.4141.445.60000111.4
853W30.2Very low28Very low328 Ų328162.8 Ų162.8100%1.24283%0.83SS**  trans71.90178.1-54.390.8000116

Retrieved 853 of 853 residues in 809.8 ms (Link to these results)

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