A0A3Q0KEI3_SCHMA Loading...

Putative arginine/serine-rich splicing factor

AlphaFold DB , UniProt , Accession A0A3Q0KEI3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 371 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
1M64.7Low83.2Confident148 Ų14853.1 Ų53.173%0.72926%0.255SS*.  090.60-66.4-179.9-166.100108.1F42 D43M1-F42 WeakPolarHBondContact CA-O 3.32Å; M1-D43 PolarHBondContact N-O 3.49Å
2S81.1Confident82.9Confident14 Ų1466.3 Ų66.310%0.09830%0.3CS..EExtended strand (participates in β ladder)trans-120.9130.9174.3-73.90000109.4F42 E45S2-F42 PolarHBondContact N-O 3.15Å; S2-F42 VanDerWaalsContact N-O 3.07Å; S2-F42 PolarHBondContact O-N 2.81Å; S2-E45 VanDerWaalsContact OG-CA 3.32Å; S2-E45 WeakPolarHBondContact OG-CA 3.37Å; S2-E45 VanDerWaalsContact OG-CB 3.28Å; S2-E45 WeakPolarHBondContact OG-CB 3.44Å; S2-E45 VanDerWaalsContact OG-CG 3.25Å; S2-E45 WeakPolarHBondContact OG-CG 3.22Å
3R86.4Confident82.7Confident99 Ų9962.3 Ų62.337%0.37429%0.285SS..EExtended strand (participates in β ladder)trans-100127.1179.9-169.7-179.2-177.5142.110.1108.9F39 V40 A70R3-F39 HydrophobicContact CG-CB 4.23Å; R3-F39 HydrophobicContact CG-CD1 4.31Å; R3-F39 VanDerWaalsContact NE-CB 3.3Å; R3-F39 VanDerWaalsContact NE-CD1 3.3Å; R3-F39 VanDerWaalsContact NE-CG 3.3Å; R3-F39 VanDerWaalsContact NH2-CD2 3.31Å; R3-F39 VanDerWaalsContact NH2-CG 3.29Å; R3-V40 CarbonylContact C-O 3.53Å; R3-V40 WeakPolarHBondContact CA-O 3.43Å; R3-A70 HydrophobicContact CB-CB 3.96Å; R3-A70 HydrophobicContact CG-CB 3.73Å; R3-A70 VanDerWaalsContact O-CB 3.24Å; R3-A70 WeakPolarHBondContact O-CB 3.38Å; R3-A70 PolarHBondContact O-N 2.94Å
4V88.3Confident82.9Confident0 Ų062.9 Ų62.90%030%0.295CS..EExtended strand (participates in β ladder)trans-103.3136174.7174.70000108.1V6 F39 V40 F42 A48 V52 V67 E68V4-V6 HydrophobicContact CG1-CG2 4.21Å; V4-F39 CarbonylContact O-C 3.42Å; V4-F39 VanDerWaalsContact O-CA 3.23Å; V4-F39 WeakPolarHBondContact O-CA 3.46Å; V4-V40 HydrophobicContact CB-CB 4.4Å; V4-V40 PolarHBondContact N-O 3.17Å; V4-V40 PolarHBondContact O-N 2.84Å; V4-F42 HydrophobicContact CB-CD2 4.4Å; V4-F42 HydrophobicContact CB-CE2 4Å; V4-F42 HydrophobicContact CG2-CD2 3.75Å; V4-F42 HydrophobicContact CG2-CE2 3.57Å; V4-A48 HydrophobicContact CG2-CB 3.81Å; V4-V52 HydrophobicContact CB-CG2 4.47Å; V4-V52 HydrophobicContact CG1-CG2 3.85Å; V4-V52 HydrophobicContact CG2-CG2 3.82Å; V4-V67 HydrophobicContact CG1-CG1 3.36Å; V4-E68 CarbonylContact C-O 3.51Å; V4-E68 WeakPolarHBondContact CA-O 3.21Å
5Y89.9Confident83.2Confident73 Ų7365.6 Ų65.629%0.28631%0.308SS..EExtended strand (participates in β ladder)trans-91.8135.5168.6169.8-98.8000108.6Y37 F39 V67 E68Y5-Y37 HydrophobicContact CD2-CD2 4.45Å; Y5-Y37 AromaticContact CE2-CD2 3.72Å; Y5-Y37 HydrophobicContact CE2-CD2 3.72Å; Y5-Y37 HydrophobicContact CE2-CG 4.01Å; Y5-F39 HydrophobicContact CD2-CD1 4.19Å; Y5-F39 AromaticContact CD2-CE1 3.7Å; Y5-F39 HydrophobicContact CD2-CE1 3.7Å; Y5-F39 HydrophobicContact CD2-CZ 4.09Å; Y5-F39 HydrophobicContact CG-CE1 4.47Å; Y5-V67 WeakPolarHBondContact O-CA 3.13Å; Y5-E68 HydrophobicContact CD1-CB 4.45Å; Y5-E68 PolarHBondContact N-O 2.78Å; Y5-E68 PolarHBondContact O-N 3.42Å
6V88.7Confident83.4Confident0 Ų073.9 Ų73.90%034%0.335CS..EExtended strand (participates in β ladder)trans-124.1103.7176.9-173.60000107.6V4 I9 F22 Y37 G38 V40 L65 I66V4-V6 HydrophobicContact CG1-CG2 4.21Å; V6-I9 HydrophobicContact CB-CD1 4Å; V6-I9 HydrophobicContact CB-CG1 4.39Å; V6-I9 HydrophobicContact CG1-CD1 3.83Å; V6-I9 HydrophobicContact CG1-CG1 3.78Å; V6-I9 VanDerWaalsContact O-CD1 3.31Å; V6-I9 WeakPolarHBondContact O-CD1 3.38Å; V6-F22 HydrophobicContact CG2-CE2 3.86Å; V6-F22 HydrophobicContact CG2-CZ 3.7Å; V6-Y37 CarbonylContact O-C 3.49Å; V6-Y37 WeakPolarHBondContact O-CA 2.85Å; V6-G38 PolarHBondContact N-O 3.14Å; V6-G38 PolarHBondContact O-N 3.23Å; V6-V40 HydrophobicContact CG2-CG2 3.93Å; V6-L65 HydrophobicContact CG1-CB 4.33Å; V6-L65 HydrophobicContact CG1-CD1 3.78Å; V6-L65 HydrophobicContact CG1-CD2 4.47Å; V6-L65 HydrophobicContact CG1-CG 4.44Å; V6-I66 CarbonylContact C-O 3.59Å; V6-I66 WeakPolarHBondContact CA-O 3.17Å
7G87.8Confident83.6Confident1 Ų171.1 Ų71.11%0.0132%0.324CS..EExtended strand (participates in β ladder)trans-96.5169.6175.500000112.7I9 I66G7-I9 VanDerWaalsContact C-N 3.28Å; G7-I9 PolarHBondContact O-N 2.97Å; G7-I66 PolarHBondContact N-O 3.37Å; G7-I66 PolarHBondContact O-N 2.84Å
8R83.7Confident83.7Confident110 Ų11067.2 Ų67.242%0.41531%0.306SS..  trans54.242.6-175.1-68.8-172175-166.1-1.3113P10 G36 R64 L65 I66R8-P10 WeakPolarHBondContact O-CD 3.26Å; R8-G36 PolarHBondContact N-O 2.8Å; R8-G36 VanDerWaalsContact N-O 3.13Å; R8-R64 WeakPolarHBondContact CB-O 3.44Å; R8-R64 WeakPolarHBondContact CD-O 3.45Å; R8-L65 WeakPolarHBondContact O-CD2 3.09Å; R8-I66 HydrophobicContact CB-CG1 4.48Å; R8-I66 HydrophobicContact CG-CD1 3.86Å; R8-I66 HydrophobicContact CG-CG1 4.14Å
9I85.2Confident83.9Confident8 Ų869 Ų694%0.04132%0.315CS..  trans-79.8121172.3-56.5177.6000107.6V6 G7 C13 I18 L33 G36 G38 L65V6-I9 HydrophobicContact CB-CD1 4Å; V6-I9 HydrophobicContact CB-CG1 4.39Å; V6-I9 HydrophobicContact CG1-CD1 3.83Å; V6-I9 HydrophobicContact CG1-CG1 3.78Å; V6-I9 VanDerWaalsContact O-CD1 3.31Å; V6-I9 WeakPolarHBondContact O-CD1 3.38Å; G7-I9 VanDerWaalsContact C-N 3.28Å; G7-I9 PolarHBondContact O-N 2.97Å; I9-C13 HydrophobicContact CG2-CB 3.56Å; I9-I18 HydrophobicContact CD1-CD1 3.75Å; I9-I18 HydrophobicContact CG2-CD1 4.39Å; I9-L33 HydrophobicContact CD1-CD2 3.55Å; I9-L33 HydrophobicContact CG2-CD2 4.33Å; I9-G36 PolarHBondContact N-O 2.86Å; I9-G36 VanDerWaalsContact N-O 3.09Å; I9-G36 WeakPolarHBondContact O-CA 3.36Å; I9-G38 VanDerWaalsContact CD1-N 3.25Å; I9-L65 HydrophobicContact CG1-CD2 4.29Å
10P81.6Confident84Confident7 Ų775.5 Ų75.55%0.04534%0.337CS..  trans-61.9145.5177.124.1-32.2000109.7R8 R12 C13 R61 E63R8-P10 WeakPolarHBondContact O-CD 3.26Å; P10-R12 PolarHBondContact O-N 3.01Å; P10-C13 HydrophobicContact CG-CB 4.01Å; P10-C13 VanDerWaalsContact CG-SG 3.56Å; P10-C13 PolarHBondContact O-N 2.94Å; P10-R61 HydrophobicContact CG-CB 4.14Å; P10-E63 HydrophobicContact CB-CB 4.49Å; P10-E63 HydrophobicContact CB-CG 4.29Å; P10-E63 WeakPolarHBondContact CB-OE1 3.43Å; P10-E63 HydrophobicContact CG-CB 4.47Å
11P78.1Confident84Confident124 Ų12472.4 Ų72.481%0.80532%0.323SS*.THydrogen-bonded Turntrans-64.4-6.5-175.827-36000114.3
12R79.7Confident85Confident212 Ų21265.3 Ų65.380%0.829%0.288SS*.THydrogen-bonded Turntrans-97.4-5.6174.7-62.9-174.5179.1-173.5-0.6114P10P10-R12 PolarHBondContact O-N 3.01Å
13C80.3Confident85Confident14 Ų1472.5 Ų72.510%0.09532%0.318CS..  trans-77.6131.1175.4-94.90000110.7I9 P10 D17I9-C13 HydrophobicContact CG2-CB 3.56Å; P10-C13 HydrophobicContact CG-CB 4.01Å; P10-C13 VanDerWaalsContact CG-SG 3.56Å; P10-C13 PolarHBondContact O-N 2.94Å; C13-D17 HydrophobicContact CB-CB 4.49Å
14T85.2Confident84.6Confident70 Ų7071.4 Ų71.443%0.42934%0.337SS..  trans-99.6168.7175.765.70000111R16 D17 I18T14-R16 PolarHBondContact O-N 3.49Å; T14-D17 WeakPolarHBondContact CB-OD2 3.46Å; T14-D17 PolarHBondContact N-OD2 3.1Å; T14-D17 WeakPolarHBondContact O-CB 3.2Å; T14-D17 PolarHBondContact O-N 2.76Å; T14-D17 PolarHBondContact OG1-OD2 3.01Å; T14-I18 PolarHBondContact O-N 3.26Å
15E86.7Confident84.1Confident104 Ų10474.9 Ų74.949%0.48635%0.35SS..Hα-helixtrans-54.7-38.3174.6-159.8-175.2144.200111.8D17 I18 E19 I31 L33E15-D17 VanDerWaalsContact C-N 3.35Å; E15-D17 PolarHBondContact O-N 3.43Å; E15-I18 WeakPolarHBondContact O-CB 3.48Å; E15-I18 PolarHBondContact O-N 2.59Å; E15-I18 VanDerWaalsContact O-N 3.13Å; E15-E19 WeakPolarHBondContact O-CB 3.32Å; E15-E19 PolarHBondContact O-N 2.88Å; E15-I31 HydrophobicContact CG-CB 3.75Å; E15-I31 HydrophobicContact CG-CD1 4.08Å; E15-I31 HydrophobicContact CG-CG2 3.62Å; E15-L33 HydrophobicContact CB-CD1 4.01Å
16R86.8Confident83.6Confident198 Ų19872.6 Ų72.675%0.74735%0.349SS*.Hα-helixtrans-65.4-31.8177.1-63.1178.2178.2175.5-0.9113.7T14 I18 R20T14-R16 PolarHBondContact O-N 3.49Å; R16-I18 VanDerWaalsContact C-N 3.3Å; R16-R20 VanDerWaalsContact O-CB 3.22Å; R16-R20 WeakPolarHBondContact O-CB 3.44Å; R16-R20 PolarHBondContact O-N 3.17Å
17D86.9Confident83.3Confident27 Ų2780.6 Ų80.614%0.14438%0.379CS..Hα-helixtrans-67.2-38.5174.4-64.8-83.1000110C13 T14 E15 F21 R61C13-D17 HydrophobicContact CB-CB 4.49Å; T14-D17 WeakPolarHBondContact CB-OD2 3.46Å; T14-D17 PolarHBondContact N-OD2 3.1Å; T14-D17 WeakPolarHBondContact O-CB 3.2Å; T14-D17 PolarHBondContact O-N 2.76Å; T14-D17 PolarHBondContact OG1-OD2 3.01Å; E15-D17 VanDerWaalsContact C-N 3.35Å; E15-D17 PolarHBondContact O-N 3.43Å; D17-F21 VanDerWaalsContact O-CB 3.22Å; D17-F21 WeakPolarHBondContact O-CB 3.5Å; D17-F21 PolarHBondContact O-N 3.47Å; D17-R61 IonicContact OD1-CZ 3.95Å; D17-R61 IonicContact OD1-NE 3.91Å; D17-R61 PolarHBondContact OD1-NE 2.99Å; D17-R61 IonicContact OD1-NH2 3.76Å; D17-R61 PolarHBondContact OD1-NH2 3.39Å; D17-R61 IonicContact OD2-NH2 2.98Å; D17-R61 PolarHBondContact OD2-NH2 2.9Å
18I86.5Confident83.2Confident1 Ų182.8 Ų82.81%0.00539%0.39CS..Hα-helixtrans-73.8-47.3179.2-69179.6000111.1I9 T14 E15 R16 R20 F21 F22 I31 L33 V40I9-I18 HydrophobicContact CD1-CD1 3.75Å; I9-I18 HydrophobicContact CG2-CD1 4.39Å; T14-I18 PolarHBondContact O-N 3.26Å; E15-I18 WeakPolarHBondContact O-CB 3.48Å; E15-I18 PolarHBondContact O-N 2.59Å; E15-I18 VanDerWaalsContact O-N 3.13Å; R16-I18 VanDerWaalsContact C-N 3.3Å; I18-R20 VanDerWaalsContact C-N 3.29Å; I18-R20 PolarHBondContact O-N 2.86Å; I18-F21 WeakPolarHBondContact O-CA 3.28Å; I18-F21 WeakPolarHBondContact O-CB 3.15Å; I18-F21 PolarHBondContact O-N 3.48Å; I18-F22 HydrophobicContact CG2-CD2 3.63Å; I18-F22 HydrophobicContact CG2-CE2 3.78Å; I18-F22 VanDerWaalsContact O-CD2 3.32Å; I18-F22 WeakPolarHBondContact O-CD2 3.3Å; I18-F22 PolarHBondContact O-N 3.09Å; I18-I31 HydrophobicContact CG2-CG2 4.12Å; I18-L33 HydrophobicContact CD1-CD1 4.02Å; I18-L33 HydrophobicContact CD1-CD2 3.4Å; I18-L33 VanDerWaalsContact CD1-CD2 3.4Å; I18-L33 HydrophobicContact CD1-CG 3.94Å; I18-V40 HydrophobicContact CG2-CG2 3.82Å
19E87.5Confident83.3Confident101 Ų10184.5 Ų84.547%0.47240%0.396SS..Hα-helixtrans-52.9-48.5173-169.6-159.1164.900110.5E15 F21 F22 K23 L28 I31E15-E19 WeakPolarHBondContact O-CB 3.32Å; E15-E19 PolarHBondContact O-N 2.88Å; E19-F21 VanDerWaalsContact C-N 3.29Å; E19-F21 PolarHBondContact O-N 2.86Å; E19-F22 PolarHBondContact O-N 2.99Å; E19-K23 VanDerWaalsContact O-CB 3.25Å; E19-K23 WeakPolarHBondContact O-CB 3.23Å; E19-K23 PolarHBondContact O-N 3.34Å; E19-L28 HydrophobicContact CG-CD1 4.32Å; E19-I31 HydrophobicContact CB-CD1 4.06Å; E19-I31 HydrophobicContact CG-CD1 4.44Å
20R85.8Confident83.4Confident199 Ų19988 Ų8875%0.75142%0.416SS*.Hα-helixtrans-63.6-31.2175.8-177.4-178.4-64.3-101.70.4113.4R16 I18R16-R20 VanDerWaalsContact O-CB 3.22Å; R16-R20 WeakPolarHBondContact O-CB 3.44Å; R16-R20 PolarHBondContact O-N 3.17Å; I18-R20 VanDerWaalsContact C-N 3.29Å; I18-R20 PolarHBondContact O-N 2.86Å
21F83.6Confident83.7Confident10 Ų1088.6 Ų88.64%0.04442%0.418CS..Hα-helixtrans-77.7-35.9-179178.7-98.8000112.6D17 I18 E19 L55 R58 L60 L65D17-F21 VanDerWaalsContact O-CB 3.22Å; D17-F21 WeakPolarHBondContact O-CB 3.5Å; D17-F21 PolarHBondContact O-N 3.47Å; I18-F21 WeakPolarHBondContact O-CA 3.28Å; I18-F21 WeakPolarHBondContact O-CB 3.15Å; I18-F21 PolarHBondContact O-N 3.48Å; E19-F21 VanDerWaalsContact C-N 3.29Å; E19-F21 PolarHBondContact O-N 2.86Å; F21-L55 HydrophobicContact CD1-CB 4.49Å; F21-L55 HydrophobicContact CD1-CD1 3.98Å; F21-L55 HydrophobicContact CD1-CD2 4.18Å; F21-L55 HydrophobicContact CD1-CG 4.47Å; F21-L55 HydrophobicContact CD2-CD2 4.49Å; F21-L55 HydrophobicContact CE1-CB 3.61Å; F21-L55 HydrophobicContact CE1-CD1 3.91Å; F21-L55 HydrophobicContact CE1-CD2 3.83Å; F21-L55 HydrophobicContact CE1-CG 4Å; F21-L55 HydrophobicContact CE2-CD2 4.18Å; F21-L55 HydrophobicContact CZ-CB 3.89Å; F21-L55 HydrophobicContact CZ-CD2 3.85Å; F21-L55 HydrophobicContact CZ-CG 4.37Å; F21-R58 HydrophobicContact CE2-CB 4.03Å; F21-R58 HydrophobicContact CE2-CG 3.79Å; F21-R58 HydrophobicContact CZ-CB 3.9Å; F21-R58 HydrophobicContact CZ-CG 4.18Å; F21-L60 HydrophobicContact CB-CD1 4.13Å; F21-L60 HydrophobicContact CB-CD2 4.31Å; F21-L60 HydrophobicContact CD1-CD1 4.42Å; F21-L60 HydrophobicContact CD2-CD1 3.92Å; F21-L60 HydrophobicContact CD2-CD2 3.42Å; F21-L60 VanDerWaalsContact CD2-CD2 3.42Å; F21-L60 HydrophobicContact CD2-CG 3.56Å; F21-L60 HydrophobicContact CE2-CD1 4.29Å; F21-L60 HydrophobicContact CE2-CD2 3.91Å; F21-L60 HydrophobicContact CE2-CG 3.67Å; F21-L60 HydrophobicContact CG-CD1 3.95Å; F21-L60 HydrophobicContact CG-CD2 4.15Å; F21-L60 HydrophobicContact CG-CG 4.14Å; F21-L60 HydrophobicContact CZ-CG 4.34Å; F21-L65 HydrophobicContact CD1-CD1 4.03Å; F21-L65 HydrophobicContact CE1-CD1 3.41Å; F21-L65 VanDerWaalsContact CE1-CD1 3.41Å; F21-L65 HydrophobicContact CE2-CD1 4.24Å; F21-L65 HydrophobicContact CZ-CD1 3.51Å; F21-L65 HydrophobicContact CZ-CG 4.26Å
22F84.6Confident84.2Confident0 Ų084.9 Ų84.90%039%0.393CS..Hα-helixtrans-87.3-9.5173-71.9-74.8000113.4V6 I18 E19 G24 Y25 L28 V40 F42 A51 L55 V67V6-F22 HydrophobicContact CG2-CE2 3.86Å; V6-F22 HydrophobicContact CG2-CZ 3.7Å; I18-F22 HydrophobicContact CG2-CD2 3.63Å; I18-F22 HydrophobicContact CG2-CE2 3.78Å; I18-F22 VanDerWaalsContact O-CD2 3.32Å; I18-F22 WeakPolarHBondContact O-CD2 3.3Å; I18-F22 PolarHBondContact O-N 3.09Å; E19-F22 PolarHBondContact O-N 2.99Å; F22-G24 PolarHBondContact O-N 3.41Å; F22-Y25 PolarHBondContact O-N 3.17Å; F22-L28 HydrophobicContact CB-CD1 4.27Å; F22-L28 HydrophobicContact CB-CD2 3.8Å; F22-L28 HydrophobicContact CB-CG 4.45Å; F22-L28 HydrophobicContact CG-CD2 4.4Å; F22-V40 HydrophobicContact CD2-CG2 4.13Å; F22-V40 HydrophobicContact CE2-CG2 3.84Å; F22-V40 HydrophobicContact CZ-CG2 4.43Å; F22-F42 HydrophobicContact CB-CZ 4.33Å; F22-F42 HydrophobicContact CD1-CE1 4.48Å; F22-F42 HydrophobicContact CD1-CE2 4.35Å; F22-F42 AromaticContact CD1-CZ 3.55Å; F22-F42 HydrophobicContact CD1-CZ 3.55Å; F22-F42 HydrophobicContact CE1-CE2 4.49Å; F22-F42 HydrophobicContact CE1-CZ 4.08Å; F22-F42 HydrophobicContact CG-CZ 4.09Å; F22-A51 HydrophobicContact CD1-CB 3.93Å; F22-A51 HydrophobicContact CE1-CB 4.03Å; F22-L55 HydrophobicContact CD1-CD1 3.18Å; F22-L55 HydrophobicContact CE1-CB 4.49Å; F22-L55 HydrophobicContact CE1-CD1 3.3Å; F22-L55 HydrophobicContact CG-CD1 4.02Å; F22-L55 HydrophobicContact CZ-CD1 4.17Å; F22-V67 HydrophobicContact CE1-CG1 4.13Å; F22-V67 HydrophobicContact CZ-CG1 4.03Å; F22-V67 HydrophobicContact CZ-CG2 4.4Å
23K81.4Confident84.5Confident165 Ų16577.5 Ų77.572%0.71737%0.369SS*.THydrogen-bonded Turntrans-62103.1174.6-175.5172-175.5169.90111.1E19E19-K23 VanDerWaalsContact O-CB 3.25Å; E19-K23 WeakPolarHBondContact O-CB 3.23Å; E19-K23 PolarHBondContact O-N 3.34Å
24G79Confident84.7Confident75 Ų7582 Ų8277%0.77339%0.387SS*.THydrogen-bonded Turntrans142-32.3-178.900000112.1F22F22-G24 PolarHBondContact O-N 3.41Å
25Y77.5Confident84.6Confident74 Ų7486.2 Ų86.229%0.2941%0.407SS..THydrogen-bonded Turntrans-89.1-29.1-174.3-66.6-83.2000114F22 D47 D50 A51 D54 L55F22-Y25 PolarHBondContact O-N 3.17Å; Y25-D47 WeakPolarHBondContact O-CB 3.14Å; Y25-D47 VanDerWaalsContact O-CG 3.3Å; Y25-D50 HydrophobicContact CD1-CB 4.33Å; Y25-A51 HydrophobicContact CD1-CB 4.34Å; Y25-A51 HydrophobicContact CG-CB 4Å; Y25-D54 HydrophobicContact CE1-CB 3.69Å; Y25-D54 VanDerWaalsContact CE1-OD2 3.25Å; Y25-D54 WeakPolarHBondContact CE1-OD2 3.31Å; Y25-D54 WeakPolarHBondContact OH-CB 3.32Å; Y25-D54 PolarHBondContact OH-OD2 2.7Å; Y25-L55 HydrophobicContact CD2-CD1 3.8Å; Y25-L55 HydrophobicContact CD2-CG 4.35Å; Y25-L55 HydrophobicContact CE2-CD1 3.84Å; Y25-L55 HydrophobicContact CE2-CD2 3.84Å; Y25-L55 HydrophobicContact CE2-CG 3.91Å
26G79Confident84.2Confident24 Ų2483 Ų8325%0.24740%0.401CS..  trans177.3-176.7178.200000114.2D47G26-D47 WeakPolarHBondContact CA-OD2 3.3Å
27R82Confident84.3Confident168 Ų16877.5 Ų77.563%0.63438%0.381SS*.  trans-82.7120.7170.7-70.5-169.7-59.8-99.3-4.1110.6D43R27-D43 HydrophobicContact CB-CB 4.33Å; R27-D43 IonicContact CZ-OD2 3.29Å; R27-D43 IonicContact NE-OD2 3.43Å; R27-D43 PolarHBondContact NE-OD2 3.35Å; R27-D43 IonicContact NH2-OD2 3.44Å; R27-D43 PolarHBondContact NH2-OD2 2.89Å; R27-D43 PolarHBondContact O-N 2.97Å
28L86.6Confident84.4Confident48 Ų4876.2 Ų76.225%0.25138%0.375SS..EExtended strand (participates in β ladder)trans-76.2132171-61.8117.4000109.2E19 F22 I31 V40E19-L28 HydrophobicContact CG-CD1 4.32Å; F22-L28 HydrophobicContact CB-CD1 4.27Å; F22-L28 HydrophobicContact CB-CD2 3.8Å; F22-L28 HydrophobicContact CB-CG 4.45Å; F22-L28 HydrophobicContact CG-CD2 4.4Å; L28-I31 HydrophobicContact CB-CD1 4.48Å; L28-I31 HydrophobicContact CD2-CD1 3.87Å; L28-I31 HydrophobicContact CD2-CG1 4.15Å; L28-V40 HydrophobicContact CD2-CG1 3.37Å; L28-V40 HydrophobicContact CG-CG1 4.48Å
29R85.9Confident84.6Confident145 Ų14578.3 Ų78.355%0.54738%0.384SS..EExtended strand (participates in β ladder)trans-102.6-40.1-178.8-176.9176.5177.4119.53.1112.5E41R29-E41 HydrophobicContact CB-CB 4.4Å; R29-E41 HydrophobicContact CB-CG 4.33Å; R29-E41 WeakPolarHBondContact CD-OE1 3.27Å; R29-E41 PolarHBondContact N-O 3.48Å; R29-E41 IonicContact NE-OE1 3.8Å
30D86.5Confident84.7Confident83 Ų8373.5 Ų73.544%0.44436%0.361SS..EExtended strand (participates in β ladder)trans-152.6147.2177.4-174.525.8000109.8V32 E41D30-V32 WeakPolarHBondContact OD2-CG2 3.32Å; D30-E41 HydrophobicContact CB-CB 4.17Å; D30-E41 PolarHBondContact O-N 3.38Å
31I87.8Confident84.8Confident18 Ų1866.3 Ų66.39%0.09234%0.336CS..EExtended strand (participates in β ladder)trans-133.5105.1179.3-52.2175.5000108.9E15 I18 E19 L28 V40E15-I31 HydrophobicContact CG-CB 3.75Å; E15-I31 HydrophobicContact CG-CD1 4.08Å; E15-I31 HydrophobicContact CG-CG2 3.62Å; I18-I31 HydrophobicContact CG2-CG2 4.12Å; E19-I31 HydrophobicContact CB-CD1 4.06Å; E19-I31 HydrophobicContact CG-CD1 4.44Å; L28-I31 HydrophobicContact CB-CD1 4.48Å; L28-I31 HydrophobicContact CD2-CD1 3.87Å; L28-I31 HydrophobicContact CD2-CG1 4.15Å; I31-V40 HydrophobicContact CG2-CG2 4.42Å
32V88.2Confident85.1Confident46 Ų4665.9 Ų65.928%0.27933%0.334SS..EExtended strand (participates in β ladder)trans-103.998.3-178.7-178.70000109.9D30 G38 F39D30-V32 WeakPolarHBondContact OD2-CG2 3.32Å; V32-G38 CarbonylContact O-C 3.22Å; V32-G38 VanDerWaalsContact O-CA 3.23Å; V32-G38 WeakPolarHBondContact O-CA 3.25Å; V32-F39 HydrophobicContact CB-CB 4.49Å; V32-F39 PolarHBondContact N-O 2.85Å; V32-F39 PolarHBondContact O-N 2.88Å
33L86.9Confident85.2Confident57 Ų5768.5 Ų68.530%0.29835%0.348SS..EExtended strand (participates in β ladder)trans-85.3143.8175.9-91.3177.3000113.6I9 E15 I18I9-L33 HydrophobicContact CD1-CD2 3.55Å; I9-L33 HydrophobicContact CG2-CD2 4.33Å; E15-L33 HydrophobicContact CB-CD1 4.01Å; I18-L33 HydrophobicContact CD1-CD1 4.02Å; I18-L33 HydrophobicContact CD1-CD2 3.4Å; I18-L33 VanDerWaalsContact CD1-CD2 3.4Å; I18-L33 HydrophobicContact CD1-CG 3.94Å
34K85Confident85.4Confident108 Ų10863.9 Ų63.947%0.4733%0.332SS..EExtended strand (participates in β ladder)trans-140.2170.1171.5-62.6-172.3174.2-170.90110.1G36 Y37K34-G36 PolarHBondContact O-N 2.91Å; K34-Y37 CarbonylContact C-O 3.58Å; K34-Y37 VanDerWaalsContact C-O 3.22Å; K34-Y37 VanDerWaalsContact CA-O 3.25Å; K34-Y37 WeakPolarHBondContact CA-O 3.26Å; K34-Y37 HydrophobicContact CB-CD1 4.41Å; K34-Y37 HydrophobicContact CB-CD2 4.46Å; K34-Y37 HydrophobicContact CB-CE1 4.09Å; K34-Y37 HydrophobicContact CB-CE2 4.16Å; K34-Y37 VanDerWaalsContact CB-O 3.31Å; K34-Y37 WeakPolarHBondContact CB-O 3.49Å; K34-Y37 HydrophobicContact CD-CE2 3.74Å; K34-Y37 VanDerWaalsContact CD-OH 3.3Å; K34-Y37 WeakPolarHBondContact CD-OH 3.36Å; K34-Y37 HydrophobicContact CG-CE2 4.41Å; K34-Y37 PolarHBondContact N-O 3.37Å; K34-Y37 PolarHBondContact O-N 2.63Å
35N82.2Confident85.7Confident160 Ų16066.6 Ų66.686%0.85632%0.324SS*.THydrogen-bonded Turntrans-63.6108.4-179.4-55.372.1000110.9Y37N35-Y37 VanDerWaalsContact C-N 3.34Å; N35-Y37 PolarHBondContact O-N 3.07Å
36G79.5Confident86.1Confident35 Ų3570.6 Ų70.636%0.36134%0.343SS..THydrogen-bonded Turntrans86.3-9.1177.600000116R8 I9 K34R8-G36 PolarHBondContact N-O 2.8Å; R8-G36 VanDerWaalsContact N-O 3.13Å; I9-G36 PolarHBondContact N-O 2.86Å; I9-G36 VanDerWaalsContact N-O 3.09Å; I9-G36 WeakPolarHBondContact O-CA 3.36Å; K34-G36 PolarHBondContact O-N 2.91Å
37Y88.7Confident86.4Confident83 Ų8370.9 Ų70.933%0.32534%0.339SS..EExtended strand (participates in β ladder)trans-157.6157.4178.569.5-81.3000112.2Y5 V6 K34 N35 F39Y5-Y37 HydrophobicContact CD2-CD2 4.45Å; Y5-Y37 AromaticContact CE2-CD2 3.72Å; Y5-Y37 HydrophobicContact CE2-CD2 3.72Å; Y5-Y37 HydrophobicContact CE2-CG 4.01Å; V6-Y37 CarbonylContact O-C 3.49Å; V6-Y37 WeakPolarHBondContact O-CA 2.85Å; K34-Y37 CarbonylContact C-O 3.58Å; K34-Y37 VanDerWaalsContact C-O 3.22Å; K34-Y37 VanDerWaalsContact CA-O 3.25Å; K34-Y37 WeakPolarHBondContact CA-O 3.26Å; K34-Y37 HydrophobicContact CB-CD1 4.41Å; K34-Y37 HydrophobicContact CB-CD2 4.46Å; K34-Y37 HydrophobicContact CB-CE1 4.09Å; K34-Y37 HydrophobicContact CB-CE2 4.16Å; K34-Y37 VanDerWaalsContact CB-O 3.31Å; K34-Y37 WeakPolarHBondContact CB-O 3.49Å; K34-Y37 HydrophobicContact CD-CE2 3.74Å; K34-Y37 VanDerWaalsContact CD-OH 3.3Å; K34-Y37 WeakPolarHBondContact CD-OH 3.36Å; K34-Y37 HydrophobicContact CG-CE2 4.41Å; K34-Y37 PolarHBondContact N-O 3.37Å; K34-Y37 PolarHBondContact O-N 2.63Å; N35-Y37 VanDerWaalsContact C-N 3.34Å; N35-Y37 PolarHBondContact O-N 3.07Å; Y37-F39 HydrophobicContact CD2-CE2 4.09Å; Y37-F39 HydrophobicContact CD2-CZ 4.42Å; Y37-F39 AromaticContact CE2-CE2 3.84Å; Y37-F39 HydrophobicContact CE2-CE2 3.84Å; Y37-F39 HydrophobicContact CE2-CZ 4.27Å
38G89Confident86.6Confident1 Ų162.9 Ų62.91%0.0131%0.309CS..EExtended strand (participates in β ladder)trans-145.5175.6179.500000111.6V6 I9 V32V6-G38 PolarHBondContact N-O 3.14Å; V6-G38 PolarHBondContact O-N 3.23Å; I9-G38 VanDerWaalsContact CD1-N 3.25Å; V32-G38 CarbonylContact O-C 3.22Å; V32-G38 VanDerWaalsContact O-CA 3.23Å; V32-G38 WeakPolarHBondContact O-CA 3.25Å
39F89.9Confident86.6Confident44 Ų4464 Ų6419%0.19332%0.315CS..EExtended strand (participates in β ladder)trans-130.7143.5171.3-59.2-87.2000110.1R3 V4 Y5 V32 Y37 A70R3-F39 HydrophobicContact CG-CB 4.23Å; R3-F39 HydrophobicContact CG-CD1 4.31Å; R3-F39 VanDerWaalsContact NE-CB 3.3Å; R3-F39 VanDerWaalsContact NE-CD1 3.3Å; R3-F39 VanDerWaalsContact NE-CG 3.3Å; R3-F39 VanDerWaalsContact NH2-CD2 3.31Å; R3-F39 VanDerWaalsContact NH2-CG 3.29Å; V4-F39 CarbonylContact O-C 3.42Å; V4-F39 VanDerWaalsContact O-CA 3.23Å; V4-F39 WeakPolarHBondContact O-CA 3.46Å; Y5-F39 HydrophobicContact CD2-CD1 4.19Å; Y5-F39 AromaticContact CD2-CE1 3.7Å; Y5-F39 HydrophobicContact CD2-CE1 3.7Å; Y5-F39 HydrophobicContact CD2-CZ 4.09Å; Y5-F39 HydrophobicContact CG-CE1 4.47Å; V32-F39 HydrophobicContact CB-CB 4.49Å; V32-F39 PolarHBondContact N-O 2.85Å; V32-F39 PolarHBondContact O-N 2.88Å; Y37-F39 HydrophobicContact CD2-CE2 4.09Å; Y37-F39 HydrophobicContact CD2-CZ 4.42Å; Y37-F39 AromaticContact CE2-CE2 3.84Å; Y37-F39 HydrophobicContact CE2-CE2 3.84Å; Y37-F39 HydrophobicContact CE2-CZ 4.27Å; F39-A70 HydrophobicContact CD1-CB 3.92Å; F39-A70 HydrophobicContact CE1-CB 4.1Å
40V89.3Confident86.6Confident1 Ų161.4 Ų61.41%0.00631%0.312CS..EExtended strand (participates in β ladder)trans-125.1122.7179.7179.30000107.6R3 V4 V6 I18 F22 L28 I31 F42R3-V40 CarbonylContact C-O 3.53Å; R3-V40 WeakPolarHBondContact CA-O 3.43Å; V4-V40 HydrophobicContact CB-CB 4.4Å; V4-V40 PolarHBondContact N-O 3.17Å; V4-V40 PolarHBondContact O-N 2.84Å; V6-V40 HydrophobicContact CG2-CG2 3.93Å; I18-V40 HydrophobicContact CG2-CG2 3.82Å; F22-V40 HydrophobicContact CD2-CG2 4.13Å; F22-V40 HydrophobicContact CE2-CG2 3.84Å; F22-V40 HydrophobicContact CZ-CG2 4.43Å; L28-V40 HydrophobicContact CD2-CG1 3.37Å; L28-V40 HydrophobicContact CG-CG1 4.48Å; I31-V40 HydrophobicContact CG2-CG2 4.42Å; V40-F42 HydrophobicContact CB-CE2 4.13Å; V40-F42 HydrophobicContact CG1-CD2 4.02Å; V40-F42 HydrophobicContact CG1-CE2 3.48Å; V40-F42 VanDerWaalsContact CG1-CE2 3.48Å; V40-F42 HydrophobicContact CG1-CZ 3.93Å
41E88.9Confident86.6Confident48 Ų4857.5 Ų57.522%0.22429%0.291CS..EExtended strand (participates in β ladder)trans-97.9125.6174.3-169.8170.2146.900110.3R29 D30R29-E41 HydrophobicContact CB-CB 4.4Å; R29-E41 HydrophobicContact CB-CG 4.33Å; R29-E41 WeakPolarHBondContact CD-OE1 3.27Å; R29-E41 PolarHBondContact N-O 3.48Å; R29-E41 IonicContact NE-OE1 3.8Å; D30-E41 HydrophobicContact CB-CB 4.17Å; D30-E41 PolarHBondContact O-N 3.38Å
42F88.5Confident86.6Confident0 Ų057.6 Ų57.60%029%0.292CS..EExtended strand (participates in β ladder)trans-100.7142.3174.6-70.7-97000110.9M1 S2 V4 F22 V40 N44 D47 A48 A51M1-F42 WeakPolarHBondContact CA-O 3.32Å; S2-F42 PolarHBondContact N-O 3.15Å; S2-F42 VanDerWaalsContact N-O 3.07Å; S2-F42 PolarHBondContact O-N 2.81Å; V4-F42 HydrophobicContact CB-CD2 4.4Å; V4-F42 HydrophobicContact CB-CE2 4Å; V4-F42 HydrophobicContact CG2-CD2 3.75Å; V4-F42 HydrophobicContact CG2-CE2 3.57Å; F22-F42 HydrophobicContact CB-CZ 4.33Å; F22-F42 HydrophobicContact CD1-CE1 4.48Å; F22-F42 HydrophobicContact CD1-CE2 4.35Å; F22-F42 AromaticContact CD1-CZ 3.55Å; F22-F42 HydrophobicContact CD1-CZ 3.55Å; F22-F42 HydrophobicContact CE1-CE2 4.49Å; F22-F42 HydrophobicContact CE1-CZ 4.08Å; F22-F42 HydrophobicContact CG-CZ 4.09Å; V40-F42 HydrophobicContact CB-CE2 4.13Å; V40-F42 HydrophobicContact CG1-CD2 4.02Å; V40-F42 HydrophobicContact CG1-CE2 3.48Å; V40-F42 VanDerWaalsContact CG1-CE2 3.48Å; V40-F42 HydrophobicContact CG1-CZ 3.93Å; F42-N44 VanDerWaalsContact CB-O 3.25Å; F42-N44 WeakPolarHBondContact CB-O 3.22Å; F42-D47 HydrophobicContact CD1-CB 4.1Å; F42-A48 HydrophobicContact CB-CB 3.96Å; F42-A48 HydrophobicContact CD2-CB 3.68Å; F42-A48 HydrophobicContact CE2-CB 4.34Å; F42-A48 HydrophobicContact CG-CB 3.83Å; F42-A51 HydrophobicContact CE1-CB 4.18Å; F42-A51 HydrophobicContact CE2-CB 4.44Å; F42-A51 HydrophobicContact CZ-CB 3.76Å
43D87.2Confident86.6Confident55 Ų5564.7 Ų64.729%0.29432%0.315SS..SBendtrans-57.8-50.3171.9-158.925000110.4M1 R27M1-D43 PolarHBondContact N-O 3.49Å; R27-D43 HydrophobicContact CB-CB 4.33Å; R27-D43 IonicContact CZ-OD2 3.29Å; R27-D43 IonicContact NE-OD2 3.43Å; R27-D43 PolarHBondContact NE-OD2 3.35Å; R27-D43 IonicContact NH2-OD2 3.44Å; R27-D43 PolarHBondContact NH2-OD2 2.89Å; R27-D43 PolarHBondContact O-N 2.97Å
44N86.6Confident86.5Confident69 Ų6966.2 Ų66.237%0.36932%0.324SS..SBendtrans-96.3153.9179.1-64.2-37.6000112.7F42 D47F42-N44 VanDerWaalsContact CB-O 3.25Å; F42-N44 WeakPolarHBondContact CB-O 3.22Å; N44-D47 HydrophobicContact CB-CB 3.9Å; N44-D47 WeakPolarHBondContact CB-OD1 3.29Å; N44-D47 VanDerWaalsContact ND2-CG 3.31Å; N44-D47 PolarHBondContact ND2-OD1 2.93Å; N44-D47 VanDerWaalsContact ND2-OD1 3.13Å; N44-D47 PolarHBondContact ND2-OD2 2.87Å
45E84.7Confident86.5Confident131 Ų13161.1 Ų61.161%0.61230%0.302SS*.SBendtrans-80.8-41.7173.4-178.6160.9-151.700112.1S2 A48 D49S2-E45 VanDerWaalsContact OG-CA 3.32Å; S2-E45 WeakPolarHBondContact OG-CA 3.37Å; S2-E45 VanDerWaalsContact OG-CB 3.28Å; S2-E45 WeakPolarHBondContact OG-CB 3.44Å; S2-E45 VanDerWaalsContact OG-CG 3.25Å; S2-E45 WeakPolarHBondContact OG-CG 3.22Å; E45-A48 WeakPolarHBondContact O-CA 3.47Å; E45-A48 VanDerWaalsContact O-CB 3.29Å; E45-A48 WeakPolarHBondContact O-CB 3.49Å; E45-A48 PolarHBondContact O-N 3.35Å; E45-D49 PolarHBondContact O-N 3.44Å
46K85.3Confident86.7Confident159 Ų15958.4 Ų58.469%0.69128%0.284SS*.Hα-helixtrans-60.8-50.1179.4-59.5-176.6179.6-175.70112.5A48 D49 D50K46-A48 PolarHBondContact O-N 2.97Å; K46-D49 WeakPolarHBondContact O-CA 3.17Å; K46-D49 WeakPolarHBondContact O-CB 3.46Å; K46-D49 PolarHBondContact O-N 3.23Å; K46-D50 PolarHBondContact O-N 3.09Å
47D85.8Confident86.8Confident30 Ų3057.8 Ų57.816%0.1628%0.278CS..Hα-helixtrans-51.1-32.8173.2-58.830.3000112.5Y25 G26 F42 N44 A51Y25-D47 WeakPolarHBondContact O-CB 3.14Å; Y25-D47 VanDerWaalsContact O-CG 3.3Å; G26-D47 WeakPolarHBondContact CA-OD2 3.3Å; F42-D47 HydrophobicContact CD1-CB 4.1Å; N44-D47 HydrophobicContact CB-CB 3.9Å; N44-D47 WeakPolarHBondContact CB-OD1 3.29Å; N44-D47 VanDerWaalsContact ND2-CG 3.31Å; N44-D47 PolarHBondContact ND2-OD1 2.93Å; N44-D47 VanDerWaalsContact ND2-OD1 3.13Å; N44-D47 PolarHBondContact ND2-OD2 2.87Å; D47-A51 WeakPolarHBondContact O-CB 3.49Å; D47-A51 PolarHBondContact O-N 3.39Å
48A86.5Confident86.5Confident0 Ų060 Ų600%029%0.285CS..Hα-helixtrans-80-37.5177.200000112.8V4 F42 E45 K46 V52V4-A48 HydrophobicContact CG2-CB 3.81Å; F42-A48 HydrophobicContact CB-CB 3.96Å; F42-A48 HydrophobicContact CD2-CB 3.68Å; F42-A48 HydrophobicContact CE2-CB 4.34Å; F42-A48 HydrophobicContact CG-CB 3.83Å; E45-A48 WeakPolarHBondContact O-CA 3.47Å; E45-A48 VanDerWaalsContact O-CB 3.29Å; E45-A48 WeakPolarHBondContact O-CB 3.49Å; E45-A48 PolarHBondContact O-N 3.35Å; K46-A48 PolarHBondContact O-N 2.97Å; A48-V52 WeakPolarHBondContact O-CB 3.45Å; A48-V52 WeakPolarHBondContact O-CG2 3.28Å; A48-V52 PolarHBondContact O-N 2.97Å
49D86.4Confident86.1Confident70 Ų7063.4 Ų63.437%0.37430%0.303SS..Hα-helixtrans-62.5-48.6172.1-63.3-48.8000110.6E45 K46 V52 Y53 H69E45-D49 PolarHBondContact O-N 3.44Å; K46-D49 WeakPolarHBondContact O-CA 3.17Å; K46-D49 WeakPolarHBondContact O-CB 3.46Å; K46-D49 PolarHBondContact O-N 3.23Å; D49-V52 PolarHBondContact O-N 3.25Å; D49-Y53 PolarHBondContact O-N 2.84Å; D49-H69 IonicContact OD1-CE1 3.77Å; D49-H69 PolarHBondContact OD1-CE1 3.43Å; D49-H69 IonicContact OD1-ND1 3.49Å; D49-H69 IonicContact OD1-NE2 2.78Å; D49-H69 PolarHBondContact OD1-NE2 2.98Å
50D86.7Confident85.4Confident92 Ų9262.5 Ų62.549%0.49230%0.3SS..Hα-helixtrans-62.9-44.5178.4-64.2-29.9000110.8Y25 K46 V52 Y53 D54Y25-D50 HydrophobicContact CD1-CB 4.33Å; K46-D50 PolarHBondContact O-N 3.09Å; D50-V52 PolarHBondContact O-N 2.78Å; D50-Y53 PolarHBondContact O-N 3.45Å; D50-D54 PolarHBondContact O-N 2.94Å
51A86.6Confident84.6Confident0 Ų070.6 Ų70.60%033%0.33CS..Hα-helixtrans-61.7-40173.600000113F22 Y25 F42 D47 L55F22-A51 HydrophobicContact CD1-CB 3.93Å; F22-A51 HydrophobicContact CE1-CB 4.03Å; Y25-A51 HydrophobicContact CD1-CB 4.34Å; Y25-A51 HydrophobicContact CG-CB 4Å; F42-A51 HydrophobicContact CE1-CB 4.18Å; F42-A51 HydrophobicContact CE2-CB 4.44Å; F42-A51 HydrophobicContact CZ-CB 3.76Å; D47-A51 WeakPolarHBondContact O-CB 3.49Å; D47-A51 PolarHBondContact O-N 3.39Å; A51-L55 HydrophobicContact CB-CD1 4.22Å; A51-L55 WeakPolarHBondContact O-CB 3.25Å; A51-L55 WeakPolarHBondContact O-CG 3.32Å; A51-L55 PolarHBondContact O-N 3.06Å; A51-L55 VanDerWaalsContact O-N 3.1Å
52V87.8Confident84Confident20 Ų2070 Ų7012%0.12134%0.337CS..Hα-helixtrans-65.6-40.9175.51670000110.5V4 A48 D49 D50 H56 V67V4-V52 HydrophobicContact CB-CG2 4.47Å; V4-V52 HydrophobicContact CG1-CG2 3.85Å; V4-V52 HydrophobicContact CG2-CG2 3.82Å; A48-V52 WeakPolarHBondContact O-CB 3.45Å; A48-V52 WeakPolarHBondContact O-CG2 3.28Å; A48-V52 PolarHBondContact O-N 2.97Å; D49-V52 PolarHBondContact O-N 3.25Å; D50-V52 PolarHBondContact O-N 2.78Å; V52-H56 WeakPolarHBondContact O-CB 3.42Å; V52-H56 PolarHBondContact O-N 2.86Å; V52-V67 HydrophobicContact CB-CG1 4.43Å; V52-V67 HydrophobicContact CG2-CG1 3.93Å
53Y86.7Confident83.4Confident195 Ų19574.1 Ų74.177%0.76536%0.356SS*.Hα-helixtrans-64.7-50.8-178.8-171.8-99.9000112.6D49 D50D49-Y53 PolarHBondContact O-N 2.84Å; D50-Y53 PolarHBondContact O-N 3.45Å
54D85.3Confident83.2Confident89 Ų8974.3 Ų74.348%0.47635%0.353SS..Hα-helixtrans-82.2-27.3-174-83.4-0.3000114.5Y25 D50Y25-D54 HydrophobicContact CE1-CB 3.69Å; Y25-D54 VanDerWaalsContact CE1-OD2 3.25Å; Y25-D54 WeakPolarHBondContact CE1-OD2 3.31Å; Y25-D54 WeakPolarHBondContact OH-CB 3.32Å; Y25-D54 PolarHBondContact OH-OD2 2.7Å; D50-D54 PolarHBondContact O-N 2.94Å
55L84.4Confident83.2Confident1 Ų171.1 Ų71.11%0.00534%0.336CS..Hα-helixtrans-99.9-10.8-173.2-57.8170.8000113.7F21 F22 Y25 A51 G57 R58 V67F21-L55 HydrophobicContact CD1-CB 4.49Å; F21-L55 HydrophobicContact CD1-CD1 3.98Å; F21-L55 HydrophobicContact CD1-CD2 4.18Å; F21-L55 HydrophobicContact CD1-CG 4.47Å; F21-L55 HydrophobicContact CD2-CD2 4.49Å; F21-L55 HydrophobicContact CE1-CB 3.61Å; F21-L55 HydrophobicContact CE1-CD1 3.91Å; F21-L55 HydrophobicContact CE1-CD2 3.83Å; F21-L55 HydrophobicContact CE1-CG 4Å; F21-L55 HydrophobicContact CE2-CD2 4.18Å; F21-L55 HydrophobicContact CZ-CB 3.89Å; F21-L55 HydrophobicContact CZ-CD2 3.85Å; F21-L55 HydrophobicContact CZ-CG 4.37Å; F22-L55 HydrophobicContact CD1-CD1 3.18Å; F22-L55 HydrophobicContact CE1-CB 4.49Å; F22-L55 HydrophobicContact CE1-CD1 3.3Å; F22-L55 HydrophobicContact CG-CD1 4.02Å; F22-L55 HydrophobicContact CZ-CD1 4.17Å; Y25-L55 HydrophobicContact CD2-CD1 3.8Å; Y25-L55 HydrophobicContact CD2-CG 4.35Å; Y25-L55 HydrophobicContact CE2-CD1 3.84Å; Y25-L55 HydrophobicContact CE2-CD2 3.84Å; Y25-L55 HydrophobicContact CE2-CG 3.91Å; A51-L55 HydrophobicContact CB-CD1 4.22Å; A51-L55 WeakPolarHBondContact O-CB 3.25Å; A51-L55 WeakPolarHBondContact O-CG 3.32Å; A51-L55 PolarHBondContact O-N 3.06Å; A51-L55 VanDerWaalsContact O-N 3.1Å; L55-G57 PolarHBondContact O-N 2.7Å; L55-R58 WeakPolarHBondContact O-CB 3.22Å; L55-R58 PolarHBondContact O-N 3.06Å; L55-V67 HydrophobicContact CB-CG2 4.1Å; L55-V67 WeakPolarHBondContact O-CG2 3.16Å
56H86.6Confident83.2Confident104 Ų10467.5 Ų67.548%0.48132%0.32SS..THydrogen-bonded Turntrans-63122.1173.4-176.198000111.1V52 R58 V67V52-H56 WeakPolarHBondContact O-CB 3.42Å; V52-H56 PolarHBondContact O-N 2.86Å; H56-R58 VanDerWaalsContact C-N 3.32Å; H56-R58 PolarHBondContact O-N 2.81Å; H56-V67 HydrophobicContact CB-CB 4.31Å; H56-V67 PolarHBondContact ND1-O 3.13Å
57G81.1Confident83.4Confident22 Ų2259.9 Ų59.923%0.22729%0.287CS..THydrogen-bonded Turntrans84.6-4.2179.700000115.4L55 R64 L65L55-G57 PolarHBondContact O-N 2.7Å; G57-R64 WeakPolarHBondContact O-CD 3.2Å; G57-R64 WeakPolarHBondContact O-CG 3.13Å; G57-R64 PolarHBondContact O-NH1 3.06Å; G57-L65 WeakPolarHBondContact CA-O 3.24Å; G57-L65 PolarHBondContact N-O 2.78Å
58R83.3Confident83.5Confident130 Ų13062.9 Ų62.949%0.49130%0.3SS..  trans-72.3140.8178-171.3177.9-173.3-119.93.1111.3F21 L55 H56 L65F21-R58 HydrophobicContact CE2-CB 4.03Å; F21-R58 HydrophobicContact CE2-CG 3.79Å; F21-R58 HydrophobicContact CZ-CB 3.9Å; F21-R58 HydrophobicContact CZ-CG 4.18Å; L55-R58 WeakPolarHBondContact O-CB 3.22Å; L55-R58 PolarHBondContact O-N 3.06Å; H56-R58 VanDerWaalsContact C-N 3.32Å; H56-R58 PolarHBondContact O-N 2.81Å; R58-L65 PolarHBondContact O-N 2.97Å
59D80.8Confident83.4Confident71 Ų7166.6 Ų66.638%0.3832%0.317SS..EExtended strand (participates in β ladder)trans-80.5123.8-175-62.9-92.2000112.7E63 R64D59-E63 WeakPolarHBondContact CA-O 3.43Å; D59-R64 VanDerWaalsContact OD1-CG 3.31Å; D59-R64 WeakPolarHBondContact OD1-CG 3.33Å; D59-R64 IonicContact OD2-CZ 2.73Å; D59-R64 IonicContact OD2-NH1 2.9Å; D59-R64 PolarHBondContact OD2-NH1 3.26Å
60L75.3Confident82.9Confident25 Ų2563.9 Ų63.913%0.13131%0.305CS..EExtended strand (participates in β ladder)trans-113.2126.8163.4-85.1-168.8000110F21 G62 E63 L65F21-L60 HydrophobicContact CB-CD1 4.13Å; F21-L60 HydrophobicContact CB-CD2 4.31Å; F21-L60 HydrophobicContact CD1-CD1 4.42Å; F21-L60 HydrophobicContact CD2-CD1 3.92Å; F21-L60 HydrophobicContact CD2-CD2 3.42Å; F21-L60 VanDerWaalsContact CD2-CD2 3.42Å; F21-L60 HydrophobicContact CD2-CG 3.56Å; F21-L60 HydrophobicContact CE2-CD1 4.29Å; F21-L60 HydrophobicContact CE2-CD2 3.91Å; F21-L60 HydrophobicContact CE2-CG 3.67Å; F21-L60 HydrophobicContact CG-CD1 3.95Å; F21-L60 HydrophobicContact CG-CD2 4.15Å; F21-L60 HydrophobicContact CG-CG 4.14Å; F21-L60 HydrophobicContact CZ-CG 4.34Å; L60-G62 PolarHBondContact O-N 2.69Å; L60-E63 PolarHBondContact N-O 3.04Å; L60-E63 PolarHBondContact O-N 3.29Å; L60-L65 HydrophobicContact CB-CD1 4.38Å; L60-L65 HydrophobicContact CB-CD2 4.16Å; L60-L65 HydrophobicContact CB-CG 4.2Å; L60-L65 HydrophobicContact CD1-CD1 3.55Å; L60-L65 HydrophobicContact CD1-CD2 4.4Å; L60-L65 HydrophobicContact CD1-CG 4.26Å; L60-L65 HydrophobicContact CG-CD1 3.91Å; L60-L65 HydrophobicContact CG-CG 4.24Å
61R72.9Confident81.9Confident171 Ų17170.5 Ų70.565%0.64532%0.323SS*.THydrogen-bonded Turntrans51.422.3179.1-55.3-74.9-171.3126.55.4114.2P10 D17P10-R61 HydrophobicContact CG-CB 4.14Å; D17-R61 IonicContact OD1-CZ 3.95Å; D17-R61 IonicContact OD1-NE 3.91Å; D17-R61 PolarHBondContact OD1-NE 2.99Å; D17-R61 IonicContact OD1-NH2 3.76Å; D17-R61 PolarHBondContact OD1-NH2 3.39Å; D17-R61 IonicContact OD2-NH2 2.98Å; D17-R61 PolarHBondContact OD2-NH2 2.9Å
62G76.2Confident80.4Confident35 Ų3575.9 Ų75.936%0.36135%0.351SS..THydrogen-bonded Turntrans952.8-179.900000116.1L60L60-G62 PolarHBondContact O-N 2.69Å
63E75.7Confident78.8Confident87 Ų8779.3 Ų79.341%0.40737%0.374SS..EExtended strand (participates in β ladder)trans-112.6134.6170.4-69.6-173.3-140.500110.8P10 D59 L60 L65P10-E63 HydrophobicContact CB-CB 4.49Å; P10-E63 HydrophobicContact CB-CG 4.29Å; P10-E63 WeakPolarHBondContact CB-OE1 3.43Å; P10-E63 HydrophobicContact CG-CB 4.47Å; D59-E63 WeakPolarHBondContact CA-O 3.43Å; L60-E63 PolarHBondContact N-O 3.04Å; L60-E63 PolarHBondContact O-N 3.29Å; E63-L65 PolarHBondContact O-N 2.82Å
64R81.9Confident76.6Confident60 Ų6076.8 Ų76.823%0.22638%0.381CS..EExtended strand (participates in β ladder)trans-74.1121.1174.3-66.3-170.4-177.5-69.54.6110.6R8 G57 D59 R118R8-R64 WeakPolarHBondContact CB-O 3.44Å; R8-R64 WeakPolarHBondContact CD-O 3.45Å; G57-R64 WeakPolarHBondContact O-CD 3.2Å; G57-R64 WeakPolarHBondContact O-CG 3.13Å; G57-R64 PolarHBondContact O-NH1 3.06Å; D59-R64 VanDerWaalsContact OD1-CG 3.31Å; D59-R64 WeakPolarHBondContact OD1-CG 3.33Å; D59-R64 IonicContact OD2-CZ 2.73Å; D59-R64 IonicContact OD2-NH1 2.9Å; D59-R64 PolarHBondContact OD2-NH1 3.26Å; R64-R118 PolarHBondContact NE-O 2.87Å; R64-R118 PolarHBondContact NH2-O 2.67Å
65L86.3Confident74.8Confident1 Ų175.8 Ų75.81%0.00539%0.392CS..  trans-73.2146.4174.4-57.9-170.4000111.7V6 R8 I9 F21 G57 R58 L60 E63 V67V6-L65 HydrophobicContact CG1-CB 4.33Å; V6-L65 HydrophobicContact CG1-CD1 3.78Å; V6-L65 HydrophobicContact CG1-CD2 4.47Å; V6-L65 HydrophobicContact CG1-CG 4.44Å; R8-L65 WeakPolarHBondContact O-CD2 3.09Å; I9-L65 HydrophobicContact CG1-CD2 4.29Å; F21-L65 HydrophobicContact CD1-CD1 4.03Å; F21-L65 HydrophobicContact CE1-CD1 3.41Å; F21-L65 VanDerWaalsContact CE1-CD1 3.41Å; F21-L65 HydrophobicContact CE2-CD1 4.24Å; F21-L65 HydrophobicContact CZ-CD1 3.51Å; F21-L65 HydrophobicContact CZ-CG 4.26Å; G57-L65 WeakPolarHBondContact CA-O 3.24Å; G57-L65 PolarHBondContact N-O 2.78Å; R58-L65 PolarHBondContact O-N 2.97Å; L60-L65 HydrophobicContact CB-CD1 4.38Å; L60-L65 HydrophobicContact CB-CD2 4.16Å; L60-L65 HydrophobicContact CB-CG 4.2Å; L60-L65 HydrophobicContact CD1-CD1 3.55Å; L60-L65 HydrophobicContact CD1-CD2 4.4Å; L60-L65 HydrophobicContact CD1-CG 4.26Å; L60-L65 HydrophobicContact CG-CD1 3.91Å; L60-L65 HydrophobicContact CG-CG 4.24Å; E63-L65 PolarHBondContact O-N 2.82Å; L65-V67 HydrophobicContact CB-CG2 4.17Å
66I86.6Confident73.1Confident55 Ų5580.4 Ų80.428%0.28242%0.42SS..EExtended strand (participates in β ladder)trans-101.6104.8168-61.7176.9000107.3V6 G7 R8 E68V6-I66 CarbonylContact C-O 3.59Å; V6-I66 WeakPolarHBondContact CA-O 3.17Å; G7-I66 PolarHBondContact N-O 3.37Å; G7-I66 PolarHBondContact O-N 2.84Å; R8-I66 HydrophobicContact CB-CG1 4.48Å; R8-I66 HydrophobicContact CG-CD1 3.86Å; R8-I66 HydrophobicContact CG-CG1 4.14Å; I66-E68 HydrophobicContact CG2-CG 4.09Å
67V88.8Confident71Confident0 Ų086.4 Ų86.40%044%0.439CS..EExtended strand (participates in β ladder)trans-101.6123178.4-168.40000108.2V4 Y5 F22 V52 L55 H56 L65V4-V67 HydrophobicContact CG1-CG1 3.36Å; Y5-V67 WeakPolarHBondContact O-CA 3.13Å; F22-V67 HydrophobicContact CE1-CG1 4.13Å; F22-V67 HydrophobicContact CZ-CG1 4.03Å; F22-V67 HydrophobicContact CZ-CG2 4.4Å; V52-V67 HydrophobicContact CB-CG1 4.43Å; V52-V67 HydrophobicContact CG2-CG1 3.93Å; L55-V67 HydrophobicContact CB-CG2 4.1Å; L55-V67 WeakPolarHBondContact O-CG2 3.16Å; H56-V67 HydrophobicContact CB-CB 4.31Å; H56-V67 PolarHBondContact ND1-O 3.13Å; L65-V67 HydrophobicContact CB-CG2 4.17Å
68E86.6Confident69.1Low92 Ų9289.3 Ų89.343%0.4347%0.469SS..EExtended strand (participates in β ladder)trans-143.2157.8-178.2-72.4-171.7-16600111V4 Y5 I66 A70V4-E68 CarbonylContact C-O 3.51Å; V4-E68 WeakPolarHBondContact CA-O 3.21Å; Y5-E68 HydrophobicContact CD1-CB 4.45Å; Y5-E68 PolarHBondContact N-O 2.78Å; Y5-E68 PolarHBondContact O-N 3.42Å; I66-E68 HydrophobicContact CG2-CG 4.09Å; E68-A70 PolarHBondContact O-N 2.98Å
69H84.6Confident67.2Low78 Ų7886.4 Ų86.436%0.36148%0.479SS..EExtended strand (participates in β ladder)trans-66122.6168.5-63.6-84.5000110.6D49 R71D49-H69 IonicContact OD1-CE1 3.77Å; D49-H69 PolarHBondContact OD1-CE1 3.43Å; D49-H69 IonicContact OD1-ND1 3.49Å; D49-H69 IonicContact OD1-NE2 2.78Å; D49-H69 PolarHBondContact OD1-NE2 2.98Å; H69-R71 PolarHBondContact O-N 2.76Å
70A76Confident65.5Low14 Ų1489 Ų8912%0.11650%0.503CS..  trans-69.1100.2177.800000109.4R3 F39 E68 L72R3-A70 HydrophobicContact CB-CB 3.96Å; R3-A70 HydrophobicContact CG-CB 3.73Å; R3-A70 VanDerWaalsContact O-CB 3.24Å; R3-A70 WeakPolarHBondContact O-CB 3.38Å; R3-A70 PolarHBondContact O-N 2.94Å; F39-A70 HydrophobicContact CD1-CB 3.92Å; F39-A70 HydrophobicContact CE1-CB 4.1Å; E68-A70 PolarHBondContact O-N 2.98Å; A70-L72 PolarHBondContact O-N 3.34Å; A70-L72 VanDerWaalsContact O-N 3.08Å
71R66.3Low64.1Low230 Ų23099.2 Ų99.287%0.86854%0.54SS*.  trans-58.9115.3172.2-58.2-177-172.7-145.3-0.3108.1H69H69-R71 PolarHBondContact O-N 2.76Å
72L54.7Low62.7Low113 Ų113102.6 Ų102.659%0.59255%0.553SS**  trans-54.7145.8174-8581.3000109.5A70 T76A70-L72 PolarHBondContact O-N 3.34Å; A70-L72 VanDerWaalsContact O-N 3.08Å; L72-T76 HydrophobicContact CD2-CG2 4.31Å
73P54.2Low61.2Low93 Ų93105.7 Ų105.760%0.60458%0.575SS**  trans-50.6136.3173-25.934.2000110.5G75 T76P73-G75 VanDerWaalsContact C-N 3.29Å; P73-G75 PolarHBondContact O-N 3.06Å; P73-T76 PolarHBondContact O-N 2.85Å
74P42.1Very low59.7Low142 Ų142105.4 Ų105.492%0.92260%0.595SS**THydrogen-bonded Turntrans-67.286-177.227.1-34.6000110.8
75G46.8Very low57.8Low68 Ų68106.3 Ų106.370%0.70162%0.624SS**THydrogen-bonded Turntrans170.7-31.3-175.800000114.8P73 R77P73-G75 VanDerWaalsContact C-N 3.29Å; P73-G75 PolarHBondContact O-N 3.06Å; G75-R77 PolarHBondContact O-N 3.38Å; G75-R77 VanDerWaalsContact O-N 3.13Å
76T49Very low55.5Low97 Ų97110.1 Ų110.160%0.59566%0.663SS**  trans-75.9105.9-176.8-49.90000111.5L72 P73L72-T76 HydrophobicContact CD2-CG2 4.31Å; P73-T76 PolarHBondContact O-N 2.85Å
77R42.7Very low53.3Low230 Ų230111.4 Ų111.487%0.86869%0.689SS**  trans-63.8127.4177.5-75.7171.1161.7165.4-7.1111.6G75G75-R77 PolarHBondContact O-N 3.38Å; G75-R77 VanDerWaalsContact O-N 3.13Å
78G39.9Very low50.9Low84 Ų84115.2 Ų115.287%0.86673%0.729SS**  trans150.875164.300000113.6
79G44.4Very low48.8Very low68 Ų68114.9 Ų114.970%0.70175%0.75SS**SBendtrans165.772.9-178.500000115.5R81G79-R81 PolarHBondContact O-N 3.3Å
80S45.2Very low46.6Very low127 Ų127115 Ų11589%0.88877%0.773SS**SBendtrans30.459.3154.9-159.60000120.4
81R46.3Very low44.9Very low239 Ų239118.3 Ų118.390%0.90281%0.808SS**  trans-140.639.3159.2-63.3-166.8-162.9-163.75.9113.6G79G79-R81 PolarHBondContact O-N 3.3Å
82R42.2Very low43.8Very low241 Ų241111.3 Ų111.391%0.90981%0.808SS**  trans-128.757.1171.7-71.2-168.3-178.5-166.70.4111.9
83A45.2Very low43.1Very low101 Ų101109.9 Ų109.984%0.83582%0.82SS**  trans-133.7131.3157.800000106.5
84G44.3Very low42.7Very low80 Ų80110.5 Ų110.583%0.82583%0.826SS**  trans90.898.6-165.500000112.2
85G41.2Very low42.9Very low80 Ų80106.2 Ų106.283%0.82581%0.809SS**  cis90.573.1200000113.7
86G37.7Very low42.9Very low81 Ų81114.2 Ų114.284%0.83582%0.818SS**  trans83.5153.1161.700000117.1
87G41.6Very low42.8Very low81 Ų81116.5 Ų116.584%0.83583%0.826SS**  trans89.6118.9178.600000113.3
88G37.3Very low43Very low81 Ų81114.9 Ų114.984%0.83582%0.82SS**  cis94.4106.45.500000111.8
89G42.4Very low43.7Very low85 Ų85122.4 Ų122.488%0.87682%0.822SS**  trans88.3149.8-17500000113.4
90G39.8Very low44Very low81 Ų81127.8 Ų127.884%0.83582%0.822SS**  cis139.988.9-1.500000112.5
91G40.6Very low44.3Very low82 Ų82124.3 Ų124.385%0.84581%0.807SS**  trans73.1174.6166.400000117
92G42Very low44.6Very low84 Ų84118.7 Ų118.787%0.86680%0.801SS**  trans82.395.1168.100000115.5
93G39.6Very low45.2Very low83 Ų83110.5 Ų110.586%0.85678%0.779SS**  trans-81.6140.7168.600000112.2
94S45.7Very low45.6Very low105 Ų105110.1 Ų110.173%0.73477%0.767SS**  trans-178.6133.2150.8-169.90000110.7R98S94-R98 PolarHBondContact OG-NH2 3.04Å
95G46.3Very low46.3Very low53 Ų53116.5 Ų116.555%0.54677%0.766SS.*SBendtrans132-24.1141.300000120.1
96R48.5Very low47.5Very low236 Ų236114.4 Ų114.489%0.89174%0.737SS**SBendtrans-148.6118-179.3-57.5178.4-169.8160.72.6108.3
97D46.6Very low49Very low144 Ų144118.3 Ų118.377%0.7773%0.734SS**  cis-134.598.99.5-81.5-91.4000110.1R99D97-R99 VanDerWaalsContact C-N 3.31Å; D97-R99 PolarHBondContact O-N 3.46Å
98R47.2Very low50.8Low196 Ų196118.3 Ų118.374%0.7471%0.709SS**THydrogen-bonded Turntrans-83.212.4-168.7-101-176.5-74.1-167.5-5.2116.2S94S94-R98 PolarHBondContact OG-NH2 3.04Å
99R54.5Low53.1Low243 Ų243118.7 Ų118.792%0.91769%0.685SS**THydrogen-bonded Turntrans-88.1-18179.6-86-153.2-89.1-126.13115.4D97D97-R99 VanDerWaalsContact C-N 3.31Å; D97-R99 PolarHBondContact O-N 3.46Å
100Y51Low55.3Low180 Ų180114.6 Ų114.671%0.70664%0.644SS**SBendtrans-128.3113.6163.3-81-87.4000107
101G51.2Low57.5Low55 Ų55112 Ų11257%0.56761%0.61SS**PPolyproline II helixtrans-62.9166172.800000111.2
102P52.2Low59.8Low120 Ų120108.1 Ų108.178%0.77957%0.57SS**SBendtrans-51.8133.516425.9-33.6000107.9T104P102-T104 PolarHBondContact O-N 3.05Å
103P53.8Low61.9Low69 Ų69106.9 Ų106.945%0.44854%0.542SS..PPolyproline II helixtrans-54.1118.7-168.119.5-32.2000109.6R105 Y136P103-R105 VanDerWaalsContact C-N 3.3Å; P103-R105 PolarHBondContact O-N 2.92Å; P103-Y136 HydrophobicContact CB-CD2 4.29Å; P103-Y136 HydrophobicContact CG-CD2 4.41Å
104T54.7Low64Low94 Ų94105.6 Ų105.658%0.57752%0.515SS*.  trans-65.197.5172.946.70000106.5P102 T106P102-T104 PolarHBondContact O-N 3.05Å; T104-T106 VanDerWaalsContact C-N 3.26Å; T104-T106 PolarHBondContact O-N 3.21Å
105R58.1Low65.8Low214 Ų214100.8 Ų100.881%0.80848%0.481SS*.  trans-64.492.2173.4-71.9-176.9174.9-178.1-1.8108P103P103-R105 VanDerWaalsContact C-N 3.3Å; P103-R105 PolarHBondContact O-N 2.92Å
106T66.2Low67.3Low36 Ų3698.8 Ų98.822%0.22146%0.459CS..  trans-77.8159.2173.144.60000109.2T104 Y108 F151T104-T106 VanDerWaalsContact C-N 3.26Å; T104-T106 PolarHBondContact O-N 3.21Å; T106-Y108 PolarHBondContact O-N 3.17Å; T106-F151 VanDerWaalsContact CB-O 3.28Å; T106-F151 WeakPolarHBondContact CB-O 3.45Å; T106-F151 PolarHBondContact OG1-O 3.38Å
107E69.3Low68.6Low162 Ų16290.7 Ų90.776%0.75744%0.438SS*.SBendtrans-78.3-4.9177-59.8-179131.100112R109E107-R109 PolarHBondContact O-N 3Å; E107-R109 VanDerWaalsContact O-N 3.14Å
108Y80.4Confident70Confident81 Ų8189.3 Ų89.332%0.31842%0.422SS..  trans-90.767.1-174.9-48.8-47.4000111.6T106 E150 F151 A153 Y154 M157T106-Y108 PolarHBondContact O-N 3.17Å; Y108-E150 WeakPolarHBondContact O-CA 3.25Å; Y108-F151 PolarHBondContact O-N 3.03Å; Y108-A153 VanDerWaalsContact CD2-C 3.5Å; Y108-Y154 AromaticContact CD1-CD2 3.92Å; Y108-Y154 HydrophobicContact CD1-CD2 3.92Å; Y108-Y154 HydrophobicContact CD1-CG 4.44Å; Y108-Y154 AromaticContact CE1-CD2 3.98Å; Y108-Y154 HydrophobicContact CE1-CD2 3.98Å; Y108-Y154 HydrophobicContact CE1-CG 4.26Å; Y108-M157 VanDerWaalsContact CA-SD 3.5Å; Y108-M157 HydrophobicContact CD1-SD 4.35Å
109R85.4Confident71.6Confident89 Ų8980.3 Ų80.334%0.33639%0.389SS..EExtended strand (participates in β ladder)trans-98.2136.7-178.5-171.5163.372.61757.3111.6E107 I148 V149 E150 D179E107-R109 PolarHBondContact O-N 3Å; E107-R109 VanDerWaalsContact O-N 3.14Å; R109-I148 HydrophobicContact CG-CG2 3.72Å; R109-V149 CarbonylContact C-O 3.59Å; R109-V149 WeakPolarHBondContact CA-O 3.39Å; R109-E150 HydrophobicContact CB-CG 4.31Å; R109-E150 HydrophobicContact CG-CG 4.06Å; R109-D179 HydrophobicContact CB-CB 4.13Å; R109-D179 HydrophobicContact CG-CB 4.02Å; R109-D179 IonicContact CZ-OD2 3.17Å; R109-D179 IonicContact NE-OD2 3.89Å; R109-D179 PolarHBondContact NE-OD2 2.87Å; R109-D179 IonicContact NH2-OD1 3.71Å; R109-D179 IonicContact NH2-OD2 3.01Å; R109-D179 PolarHBondContact NH2-OD2 3.49Å; R109-D179 PolarHBondContact O-N 3.49Å
110V87.5Confident73Confident0 Ų070.4 Ų70.40%036%0.357CS..EExtended strand (participates in β ladder)trans-122133178.9-178.20000108.4V112 M128 I148 V149 F151 M157 I161 V176 Y177V110-V112 HydrophobicContact CG1-CG2 4.3Å; V110-M128 HydrophobicContact CG1-CE 4.1Å; V110-I148 WeakPolarHBondContact O-CA 3.38Å; V110-V149 PolarHBondContact N-O 2.6Å; V110-V149 PolarHBondContact O-N 2.84Å; V110-F151 HydrophobicContact CB-CE2 4.35Å; V110-F151 HydrophobicContact CG2-CD2 3.89Å; V110-F151 HydrophobicContact CG2-CE2 3.77Å; V110-M157 HydrophobicContact CG2-CG 3.35Å; V110-M157 HydrophobicContact CG2-SD 4.32Å; V110-I161 HydrophobicContact CG1-CG1 4.38Å; V110-I161 HydrophobicContact CG2-CD1 4.5Å; V110-I161 HydrophobicContact CG2-CG1 4.47Å; V110-V176 HydrophobicContact CG1-CG1 3.31Å; V110-Y177 CarbonylContact C-O 3.48Å; V110-Y177 WeakPolarHBondContact CA-O 3.16Å; V110-Y177 WeakPolarHBondContact CG1-O 3.41Å
111I87.6Confident74.6Confident26 Ų2667.8 Ų67.813%0.13335%0.346CS..EExtended strand (participates in β ladder)trans-97.4134.5167.9-67.8159000108G147 I148 Y177 D179I111-G147 WeakPolarHBondContact CA-O 3.22Å; I111-I148 HydrophobicContact CG1-CG1 4.45Å; I111-Y177 HydrophobicContact CB-CD1 4.43Å; I111-Y177 HydrophobicContact CB-CD2 4.17Å; I111-Y177 HydrophobicContact CB-CE1 4Å; I111-Y177 HydrophobicContact CB-CE2 3.71Å; I111-Y177 HydrophobicContact CD1-CE2 3.67Å; I111-Y177 HydrophobicContact CG1-CE2 4.27Å; I111-Y177 HydrophobicContact CG2-CE1 3.7Å; I111-Y177 HydrophobicContact CG2-CE2 4.06Å; I111-Y177 VanDerWaalsContact CG2-CZ 3.46Å; I111-Y177 WeakPolarHBondContact CG2-OH 3.25Å; I111-Y177 PolarHBondContact N-O 2.77Å; I111-Y177 PolarHBondContact O-N 3.23Å; I111-D179 HydrophobicContact CD1-CB 3.73Å; I111-D179 WeakPolarHBondContact CD1-OD1 3.31Å; I111-D179 HydrophobicContact CG1-CB 4Å
112V87.2Confident76.3Confident0 Ų070.2 Ų70.20%034%0.343CS..EExtended strand (participates in β ladder)trans-113.8105.2175.1-172.40000108.5V110 L115 L124 M128 D146 G147 V149 L174 R175 V176V110-V112 HydrophobicContact CG1-CG2 4.3Å; V112-L115 HydrophobicContact CB-CD1 4.37Å; V112-L115 HydrophobicContact CB-CD2 4.38Å; V112-L115 HydrophobicContact CB-CG 4.35Å; V112-L115 HydrophobicContact CG1-CD1 4.44Å; V112-L115 HydrophobicContact CG1-CD2 3.69Å; V112-L115 HydrophobicContact CG1-CG 3.9Å; V112-L124 HydrophobicContact CB-CD1 4.43Å; V112-L124 HydrophobicContact CG1-CD1 4.35Å; V112-L124 HydrophobicContact CG2-CD1 4.19Å; V112-M128 HydrophobicContact CG2-CE 4.01Å; V112-D146 CarbonylContact O-C 3.58Å; V112-D146 WeakPolarHBondContact O-CA 3.17Å; V112-G147 PolarHBondContact N-O 3.19Å; V112-G147 PolarHBondContact O-N 3.02Å; V112-V149 HydrophobicContact CG2-CG2 4.22Å; V112-L174 HydrophobicContact CG1-CB 4.07Å; V112-L174 HydrophobicContact CG1-CD1 4.21Å; V112-L174 HydrophobicContact CG1-CD2 4.27Å; V112-L174 HydrophobicContact CG1-CG 4.41Å; V112-R175 CarbonylContact C-O 3.49Å; V112-R175 VanDerWaalsContact CA-O 3.3Å; V112-R175 WeakPolarHBondContact CA-O 3.4Å; V112-V176 HydrophobicContact CG1-CG2 4.12Å; V112-V176 HydrophobicContact CG2-CG1 4.39Å; V112-V176 HydrophobicContact CG2-CG2 4.26Å
113E86.9Confident77.9Confident58 Ų5866.4 Ų66.427%0.27132%0.316SS..EExtended strand (participates in β ladder)trans-86160.8174.1-95.6176.4-148.200111.3L115 R175 Y177E113-L115 PolarHBondContact O-N 3.39Å; E113-R175 HydrophobicContact CB-CB 3.89Å; E113-R175 PolarHBondContact N-O 3.44Å; E113-R175 PolarHBondContact O-N 3.11Å; E113-Y177 HydrophobicContact CB-CE1 4.28Å; E113-Y177 HydrophobicContact CG-CE1 3.85Å; E113-Y177 WeakPolarHBondContact OE1-CE1 3.23Å; E113-Y177 PolarHBondContact OE1-OH 3.36Å
114N84.2Confident79.4Confident56 Ų5663.1 Ų63.130%0.29930%0.295SS..SBendtrans61.224.5177.2-163.737.6000115S116 N145 R172 R173N114-S116 PolarHBondContact O-N 2.86Å; N114-N145 PolarHBondContact N-O 3.28Å; N114-R172 PolarHBondContact O-NE 2.73Å; N114-R172 PolarHBondContact OD1-NE 3.4Å; N114-R172 VanDerWaalsContact OD1-NE 3.11Å; N114-R172 PolarHBondContact OD1-NH2 3.48Å; N114-R173 PolarHBondContact ND2-O 3.15Å
115L82.6Confident81Confident4 Ų460.8 Ų60.82%0.02128%0.276CS..  trans-56136.4169.5-68164000110.2V112 E113 V119 L124 A139 N145 G147 R172 L174V112-L115 HydrophobicContact CB-CD1 4.37Å; V112-L115 HydrophobicContact CB-CD2 4.38Å; V112-L115 HydrophobicContact CB-CG 4.35Å; V112-L115 HydrophobicContact CG1-CD1 4.44Å; V112-L115 HydrophobicContact CG1-CD2 3.69Å; V112-L115 HydrophobicContact CG1-CG 3.9Å; E113-L115 PolarHBondContact O-N 3.39Å; L115-V119 HydrophobicContact CD2-CB 4.48Å; L115-V119 HydrophobicContact CD2-CG1 3.86Å; L115-L124 HydrophobicContact CD1-CD2 4.09Å; L115-L124 HydrophobicContact CD2-CD1 3.89Å; L115-L124 HydrophobicContact CD2-CD2 4.42Å; L115-A139 HydrophobicContact CD1-CB 4.41Å; L115-N145 WeakPolarHBondContact CB-O 3.45Å; L115-N145 PolarHBondContact N-O 3.29Å; L115-N145 WeakPolarHBondContact O-CA 3.39Å; L115-N145 WeakPolarHBondContact O-CB 3.42Å; L115-N145 PolarHBondContact O-OD1 2.86Å; L115-G147 VanDerWaalsContact CD1-N 3.31Å; L115-R172 PolarHBondContact O-NH1 3.13Å; L115-L174 HydrophobicContact CD2-CD2 3.68Å; L115-L174 HydrophobicContact CG-CD2 4.36Å
116S77.7Confident82.4Confident11 Ų1154.6 Ų54.68%0.07726%0.259CS..  trans-63.8142.4169.2-174.10000110.4N114 R118 V119N114-S116 PolarHBondContact O-N 2.86Å; S116-R118 PolarHBondContact O-N 3.02Å; S116-V119 WeakPolarHBondContact O-CB 3.21Å; S116-V119 PolarHBondContact O-N 3.3Å
117S77.2Confident83.3Confident66 Ų6653.4 Ų53.446%0.46225%0.251SS..THydrogen-bonded Turntrans-62.3-11.1175.8520000113.6
118R76Confident84Confident115 Ų11545.7 Ų45.743%0.43422%0.216SC..THydrogen-bonded Turntrans-83.1-17.3172-64.8-177.6170.6170.6-1.9114.2R64 S116R64-R118 PolarHBondContact NE-O 2.87Å; R64-R118 PolarHBondContact NH2-O 2.67Å; S116-R118 PolarHBondContact O-N 3.02Å
119V79.4Confident84.2Confident8 Ų848.4 Ų48.45%0.04823%0.225CC..  trans-87.4118.8-177.8178.30000108.5L115 S116 D123 L124 L169 Y170L115-V119 HydrophobicContact CD2-CB 4.48Å; L115-V119 HydrophobicContact CD2-CG1 3.86Å; S116-V119 WeakPolarHBondContact O-CB 3.21Å; S116-V119 PolarHBondContact O-N 3.3Å; V119-D123 HydrophobicContact CG1-CB 3.82Å; V119-L124 HydrophobicContact CG1-CB 4.49Å; V119-L169 HydrophobicContact CB-CD2 4.27Å; V119-L169 HydrophobicContact CG1-CD2 3.69Å; V119-L169 HydrophobicContact CG2-CD2 3.46Å; V119-L169 VanDerWaalsContact CG2-CD2 3.46Å; V119-L169 HydrophobicContact CG2-CG 3.94Å; V119-Y170 HydrophobicContact CG2-CD2 3.45Å; V119-Y170 VanDerWaalsContact CG2-CD2 3.45Å; V119-Y170 HydrophobicContact CG2-CE2 3.76Å
120S83.4Confident84.2Confident34 Ų3451.4 Ų51.424%0.23824%0.241CC..  trans-89.2173.4173.671.70000111.4Q122 D123 L124S120-Q122 PolarHBondContact O-N 3.06Å; S120-Q122 WeakPolarHBondContact OG-CB 3.37Å; S120-Q122 PolarHBondContact OG-N 2.85Å; S120-D123 WeakPolarHBondContact CB-OD2 3.32Å; S120-D123 PolarHBondContact N-OD2 3.1Å; S120-D123 PolarHBondContact O-N 2.92Å; S120-D123 PolarHBondContact OG-N 2.92Å; S120-D123 PolarHBondContact OG-OD2 3.04Å; S120-L124 WeakPolarHBondContact O-CB 3.5Å; S120-L124 PolarHBondContact O-N 3.25Å
121W85.6Confident83.9Confident126 Ų12651.9 Ų51.948%0.47724%0.244SC..Hα-helixtrans-64.1-21.7170.362.5-94.4000112.2K125 A139W121-K125 VanDerWaalsContact O-CB 3.22Å; W121-K125 WeakPolarHBondContact O-CB 3.33Å; W121-K125 PolarHBondContact O-N 3.31Å; W121-A139 HydrophobicContact CB-CB 3.97Å
122Q86.2Confident83.7Confident105 Ų10551.4 Ų51.449%0.49125%0.246SC..Hα-helixtrans-72.4-53.6174.3-60.8175.4-18.200110.1S120 L124 K125 D126S120-Q122 PolarHBondContact O-N 3.06Å; S120-Q122 WeakPolarHBondContact OG-CB 3.37Å; S120-Q122 PolarHBondContact OG-N 2.85Å; Q122-L124 PolarHBondContact O-N 3.47Å; Q122-K125 PolarHBondContact O-N 2.92Å; Q122-D126 PolarHBondContact O-N 2.87Å
123D86.4Confident83.6Confident41 Ų4158.1 Ų58.122%0.21928%0.278CS..Hα-helixtrans-52.7-44.1174.2-61-96.2000110.8V119 S120 L127 Y170V119-D123 HydrophobicContact CG1-CB 3.82Å; S120-D123 WeakPolarHBondContact CB-OD2 3.32Å; S120-D123 PolarHBondContact N-OD2 3.1Å; S120-D123 PolarHBondContact O-N 2.92Å; S120-D123 PolarHBondContact OG-N 2.92Å; S120-D123 PolarHBondContact OG-OD2 3.04Å; D123-L127 VanDerWaalsContact O-CB 3.27Å; D123-L127 WeakPolarHBondContact O-CB 3.3Å; D123-L127 PolarHBondContact O-N 2.81Å; D123-Y170 PolarHBondContact OD1-OH 3.22Å
124L86.3Confident83.6Confident0 Ų056 Ų560%027%0.268CS..Hα-helixtrans-65.4-42.6178.8-172.457.8000112V112 L115 V119 S120 Q122 M128 A139 V149V112-L124 HydrophobicContact CB-CD1 4.43Å; V112-L124 HydrophobicContact CG1-CD1 4.35Å; V112-L124 HydrophobicContact CG2-CD1 4.19Å; L115-L124 HydrophobicContact CD1-CD2 4.09Å; L115-L124 HydrophobicContact CD2-CD1 3.89Å; L115-L124 HydrophobicContact CD2-CD2 4.42Å; V119-L124 HydrophobicContact CG1-CB 4.49Å; S120-L124 WeakPolarHBondContact O-CB 3.5Å; S120-L124 PolarHBondContact O-N 3.25Å; Q122-L124 PolarHBondContact O-N 3.47Å; L124-M128 HydrophobicContact CD1-CG 4.21Å; L124-M128 VanDerWaalsContact O-CB 3.3Å; L124-M128 WeakPolarHBondContact O-CB 3.32Å; L124-M128 WeakPolarHBondContact O-CG 3.25Å; L124-M128 PolarHBondContact O-N 2.64Å; L124-A139 HydrophobicContact CD2-CB 4.39Å; L124-V149 HydrophobicContact CD1-CG2 4.26Å; L124-V149 HydrophobicContact CD2-CG2 3.63Å; L124-V149 HydrophobicContact CG-CG2 3.72Å
125K86.4Confident83.6Confident44 Ų4454.8 Ų54.819%0.19126%0.264CS..Hα-helixtrans-65.3-44.5177.2-173.8170.8-173.3170.60112W121 Q122 M128 R129 V134 A137W121-K125 VanDerWaalsContact O-CB 3.22Å; W121-K125 WeakPolarHBondContact O-CB 3.33Å; W121-K125 PolarHBondContact O-N 3.31Å; Q122-K125 PolarHBondContact O-N 2.92Å; K125-M128 PolarHBondContact O-N 2.79Å; K125-R129 VanDerWaalsContact O-CB 3.26Å; K125-R129 WeakPolarHBondContact O-CB 3.39Å; K125-R129 PolarHBondContact O-N 2.67Å; K125-V134 HydrophobicContact CG-CB 4.19Å; K125-V134 HydrophobicContact CG-CG1 4.03Å; K125-A137 HydrophobicContact CB-CB 3.86Å; K125-A137 HydrophobicContact CD-CB 4.43Å; K125-A137 HydrophobicContact CG-CB 4.29Å
126D87.9Confident83.7Confident84 Ų8458.6 Ų58.645%0.44928%0.278SS..Hα-helixtrans-74-27.7-179.1-74.4-32.5000113Q122 R129Q122-D126 PolarHBondContact O-N 2.87Å; D126-R129 IonicContact OD1-CZ 3.8Å; D126-R129 IonicContact OD1-NH1 2.76Å; D126-R129 PolarHBondContact OD1-NH1 3.36Å
127L85.6Confident84.1Confident11 Ų1158.7 Ų58.76%0.05828%0.28CS..Hα-helixtrans-65.2-56.3166.4-177.865.6000110.7D123 R129 K130 F164 Y167 L169 L174D123-L127 VanDerWaalsContact O-CB 3.27Å; D123-L127 WeakPolarHBondContact O-CB 3.3Å; D123-L127 PolarHBondContact O-N 2.81Å; L127-R129 PolarHBondContact O-N 2.75Å; L127-K130 WeakPolarHBondContact O-CB 3.49Å; L127-K130 WeakPolarHBondContact O-CG 3.37Å; L127-K130 PolarHBondContact O-N 2.83Å; L127-F164 HydrophobicContact CD1-CD1 4.02Å; L127-F164 HydrophobicContact CD1-CE1 3.47Å; L127-F164 VanDerWaalsContact CD1-CE1 3.47Å; L127-F164 HydrophobicContact CD1-CZ 4.19Å; L127-F164 HydrophobicContact CD2-CD1 4.06Å; L127-F164 HydrophobicContact CD2-CE1 4.25Å; L127-F164 HydrophobicContact CG-CD1 3.88Å; L127-F164 HydrophobicContact CG-CE1 3.57Å; L127-F164 HydrophobicContact CG-CZ 4.03Å; L127-F164 WeakPolarHBondContact O-CZ 3.32Å; L127-Y167 HydrophobicContact CD1-CD1 4.43Å; L127-Y167 HydrophobicContact CD1-CE1 3.96Å; L127-Y167 HydrophobicContact CD2-CD1 4.3Å; L127-Y167 HydrophobicContact CD2-CE1 4.47Å; L127-L169 HydrophobicContact CD2-CD1 4.31Å; L127-L169 HydrophobicContact CD2-CD2 4.02Å; L127-L174 HydrophobicContact CD2-CD1 3.7Å
128M83.8Confident84.5Confident1 Ų156.7 Ų56.71%0.00526%0.264CS..Hα-helixtrans-65.2-26.3-175.2-68.1-66.9-113.600113V110 V112 L124 K125 K130 A131 G132 V134 V149 F151 A160 F164 V176V110-M128 HydrophobicContact CG1-CE 4.1Å; V112-M128 HydrophobicContact CG2-CE 4.01Å; L124-M128 HydrophobicContact CD1-CG 4.21Å; L124-M128 VanDerWaalsContact O-CB 3.3Å; L124-M128 WeakPolarHBondContact O-CB 3.32Å; L124-M128 WeakPolarHBondContact O-CG 3.25Å; L124-M128 PolarHBondContact O-N 2.64Å; K125-M128 PolarHBondContact O-N 2.79Å; M128-K130 PolarHBondContact O-N 2.63Å; M128-K130 VanDerWaalsContact O-N 3.1Å; M128-A131 PolarHBondContact O-N 2.74Å; M128-G132 PolarHBondContact O-N 2.78Å; M128-V134 HydrophobicContact CB-CG2 3.63Å; M128-V149 HydrophobicContact CB-CG1 4.21Å; M128-V149 HydrophobicContact CE-CB 4.06Å; M128-V149 HydrophobicContact CE-CG1 4.15Å; M128-V149 HydrophobicContact CE-CG2 3.98Å; M128-V149 HydrophobicContact CG-CG1 4.12Å; M128-V149 HydrophobicContact CG-CG2 4.19Å; M128-F151 HydrophobicContact CB-CE1 4.27Å; M128-F151 HydrophobicContact CB-CZ 3.91Å; M128-F151 HydrophobicContact CE-CE2 3.75Å; M128-F151 HydrophobicContact CE-CZ 3.7Å; M128-F151 HydrophobicContact CG-CZ 4.28Å; M128-F151 HydrophobicContact SD-CZ 3.99Å; M128-A160 HydrophobicContact CE-CB 4.04Å; M128-A160 HydrophobicContact SD-CB 4.06Å; M128-F164 HydrophobicContact SD-CB 4.41Å; M128-F164 HydrophobicContact SD-CD2 3.26Å; M128-F164 WeakPolarHBondContact SD-CD2 3.45Å; M128-F164 HydrophobicContact SD-CE2 3.67Å; M128-F164 HydrophobicContact SD-CG 4.02Å; M128-V176 HydrophobicContact CE-CG1 4.24Å
129R85.8Confident84.9Confident138 Ų13851.9 Ų51.952%0.52125%0.249SC..THydrogen-bonded Turntrans-56-21.2169.8178.3178.1-89.5161.1-18.8113.8K125 D126 L127 A131 G132K125-R129 VanDerWaalsContact O-CB 3.26Å; K125-R129 WeakPolarHBondContact O-CB 3.39Å; K125-R129 PolarHBondContact O-N 2.67Å; D126-R129 IonicContact OD1-CZ 3.8Å; D126-R129 IonicContact OD1-NH1 2.76Å; D126-R129 PolarHBondContact OD1-NH1 3.36Å; L127-R129 PolarHBondContact O-N 2.75Å; R129-A131 VanDerWaalsContact C-N 3.32Å; R129-G132 WeakPolarHBondContact CA-O 3.49Å
130K84.7Confident84.6Confident151 Ų15154.5 Ų54.566%0.65726%0.26SS*.THydrogen-bonded Turntrans-77.1-14.2174.2-55.9176.6-177.4177.40113.8L127 M128 F164L127-K130 WeakPolarHBondContact O-CB 3.49Å; L127-K130 WeakPolarHBondContact O-CG 3.37Å; L127-K130 PolarHBondContact O-N 2.83Å; M128-K130 PolarHBondContact O-N 2.63Å; M128-K130 VanDerWaalsContact O-N 3.1Å; K130-F164 HydrophobicContact CB-CZ 4.23Å
131A80.1Confident83.6Confident10 Ų1060.4 Ų60.48%0.08328%0.282CS..THydrogen-bonded Turntrans-105.4-25.1172.700000113.3M128 R129 E159 A160 F164M128-A131 PolarHBondContact O-N 2.74Å; R129-A131 VanDerWaalsContact C-N 3.32Å; A131-E159 HydrophobicContact CB-CB 4.38Å; A131-A160 HydrophobicContact CB-CB 3.92Å; A131-F164 HydrophobicContact CB-CD2 4.35Å; A131-F164 HydrophobicContact CB-CE2 3.55Å; A131-F164 HydrophobicContact CB-CZ 4.3Å
132G84.8Confident82.4Confident17 Ų1759.4 Ų59.418%0.17529%0.294CS..SBendtrans172.6-167.5174.300000115.4M128 R129 V134 D156M128-G132 PolarHBondContact O-N 2.78Å; R129-G132 WeakPolarHBondContact CA-O 3.49Å; G132-V134 PolarHBondContact O-N 3.07Å; G132-D156 VanDerWaalsContact CA-OD2 3.32Å; G132-D156 WeakPolarHBondContact CA-OD2 3.22Å
133E85.5Confident81.2Confident140 Ų14056.3 Ų56.365%0.65429%0.287SS*.  trans-84.1113.7-173.9-171.5172.1-178.500112.2F151 A152 D156E133-F151 CarbonylContact O-C 3.54Å; E133-F151 WeakPolarHBondContact O-CA 3.24Å; E133-A152 HydrophobicContact CB-CB 4.05Å; E133-A152 HydrophobicContact CG-CB 4.37Å; E133-A152 PolarHBondContact O-N 2.82Å; E133-D156 PolarHBondContact N-OD2 2.99Å
134V86.7Confident80.3Confident13 Ų1362.4 Ų62.48%0.07931%0.311CS..EExtended strand (participates in β ladder)trans-91.4110.4-178.8179.50000111.1K125 M128 G132 Y136 A137 V149 F151K125-V134 HydrophobicContact CG-CB 4.19Å; K125-V134 HydrophobicContact CG-CG1 4.03Å; M128-V134 HydrophobicContact CB-CG2 3.63Å; G132-V134 PolarHBondContact O-N 3.07Å; V134-Y136 VanDerWaalsContact CG1-O 3.32Å; V134-Y136 WeakPolarHBondContact CG1-O 3.35Å; V134-A137 HydrophobicContact CG1-CB 3.89Å; V134-V149 HydrophobicContact CB-CG1 4.48Å; V134-V149 HydrophobicContact CG1-CG1 3.65Å; V134-V149 HydrophobicContact CG2-CG1 4.03Å; V134-F151 HydrophobicContact CG2-CD1 4.14Å; V134-F151 HydrophobicContact CG2-CE1 3.73Å; V134-F151 HydrophobicContact CG2-CZ 4.3Å
135T84.6Confident79.9Confident32 Ų3264.5 Ų64.520%0.19632%0.322CS..EExtended strand (participates in β ladder)trans-78.7-39.3179.555.50000112E150 A152T135-E150 PolarHBondContact N-O 2.93Å; T135-E150 PolarHBondContact OG1-O 3.01Å; T135-E150 VanDerWaalsContact OG1-O 3.07Å; T135-A152 HydrophobicContact CG2-CB 3.95Å
136Y83.4Confident79.8Confident83 Ų8364.8 Ų64.833%0.32533%0.326SS..EExtended strand (participates in β ladder)trans-139140.8176.8-174.3-99.1000110.3P103 V134 D138 V149 E150P103-Y136 HydrophobicContact CB-CD2 4.29Å; P103-Y136 HydrophobicContact CG-CD2 4.41Å; V134-Y136 VanDerWaalsContact CG1-O 3.32Å; V134-Y136 WeakPolarHBondContact CG1-O 3.35Å; Y136-D138 HydrophobicContact CD1-CB 4.45Å; Y136-D138 HydrophobicContact CE1-CB 3.57Å; Y136-D138 PolarHBondContact OH-OD2 3.28Å; Y136-V149 CarbonylContact O-C 3.6Å; Y136-V149 WeakPolarHBondContact O-CA 3.34Å; Y136-E150 HydrophobicContact CD1-CG 4.27Å; Y136-E150 PolarHBondContact N-O 2.86Å; Y136-E150 PolarHBondContact O-N 2.64Å
137A86.8Confident79.7Confident14 Ų1460.9 Ų60.912%0.11631%0.306CS..EExtended strand (participates in β ladder)trans-144.5136.5173.600000109.4K125 V134 I148K125-A137 HydrophobicContact CB-CB 3.86Å; K125-A137 HydrophobicContact CD-CB 4.43Å; K125-A137 HydrophobicContact CG-CB 4.29Å; V134-A137 HydrophobicContact CG1-CB 3.89Å; A137-I148 WeakPolarHBondContact CA-O 3.44Å
138D85.2Confident79.8Confident24 Ų2462.2 Ų62.213%0.12831%0.313CS..EExtended strand (participates in β ladder)trans-148.4142.1-175.6-158.5-18.5000108.7Y136 K141 G147 I148Y136-D138 HydrophobicContact CD1-CB 4.45Å; Y136-D138 HydrophobicContact CE1-CB 3.57Å; Y136-D138 PolarHBondContact OH-OD2 3.28Å; D138-K141 WeakPolarHBondContact OD1-CB 3.22Å; D138-K141 WeakPolarHBondContact OD1-CD 3.32Å; D138-K141 WeakPolarHBondContact OD2-CD 3.4Å; D138-G147 CarbonylContact O-C 3.6Å; D138-G147 WeakPolarHBondContact O-CA 3.46Å; D138-I148 PolarHBondContact N-O 2.8Å; D138-I148 PolarHBondContact O-N 2.88Å
139A83.6Confident80.1Confident14 Ų1462.2 Ų62.212%0.11631%0.312CS..EExtended strand (participates in β ladder)trans-141.5143.1-174.900000110.6L115 W121 L124 K141L115-A139 HydrophobicContact CD1-CB 4.41Å; W121-A139 HydrophobicContact CB-CB 3.97Å; L124-A139 HydrophobicContact CD2-CB 4.39Å; A139-K141 VanDerWaalsContact C-N 3.26Å; A139-K141 PolarHBondContact O-N 2.82Å
140H73.3Confident80.2Confident63 Ų6356.3 Ų56.329%0.29229%0.291SS..SBendtrans64.921.2175.3-150.795.7000114.9N145 D146H140-N145 PolarHBondContact ND1-N 3.17Å; H140-D146 WeakPolarHBondContact CA-O 3.44Å; H140-D146 PolarHBondContact N-O 2.85Å
141K62.4Low80.3Confident157 Ų15749.1 Ų49.168%0.68326%0.259SS*.SBendtrans-103.8-26.2-169.4-153.1166.4-179.8-82.40115.7D138 A139D138-K141 WeakPolarHBondContact OD1-CB 3.22Å; D138-K141 WeakPolarHBondContact OD1-CD 3.32Å; D138-K141 WeakPolarHBondContact OD2-CD 3.4Å; A139-K141 VanDerWaalsContact C-N 3.26Å; A139-K141 PolarHBondContact O-N 2.82Å
142S60.2Low80.6Confident106 Ų10650.5 Ų50.574%0.74127%0.271SS*.SBendtrans-98.2-43.8171.9-72.60000112.2
143A62Low80.6Confident40 Ų4051.4 Ų51.433%0.33128%0.277SS..SBendtrans-139159.9169.900000111.2N145 D146A143-N145 PolarHBondContact O-N 3.41Å; A143-D146 HydrophobicContact CB-CB 4.07Å; A143-D146 VanDerWaalsContact CB-OD2 3.27Å; A143-D146 WeakPolarHBondContact CB-OD2 3.33Å; A143-D146 PolarHBondContact O-N 3.5Å
144K66.3Low80.6Confident168 Ų16850.7 Ų50.773%0.7327%0.269SS*.THydrogen-bonded Turntrans-70116.6171.7-60.5-176.8179177.10107.6
145N78.9Confident80.6Confident45 Ų4552.8 Ų52.824%0.24129%0.288CS..THydrogen-bonded Turntrans91.37.3-173.8-44.3-45.5000116.4N114 L115 H140 A143 R172N114-N145 PolarHBondContact N-O 3.28Å; L115-N145 WeakPolarHBondContact CB-O 3.45Å; L115-N145 PolarHBondContact N-O 3.29Å; L115-N145 WeakPolarHBondContact O-CA 3.39Å; L115-N145 WeakPolarHBondContact O-CB 3.42Å; L115-N145 PolarHBondContact O-OD1 2.86Å; H140-N145 PolarHBondContact ND1-N 3.17Å; A143-N145 PolarHBondContact O-N 3.41Å; N145-R172 PolarHBondContact ND2-NH2 2.73Å; N145-R172 VanDerWaalsContact ND2-NH2 3.15Å; N145-R172 PolarHBondContact OD1-NH1 2.96Å
146D84.2Confident80.7Confident49 Ų4953 Ų5326%0.26229%0.288SS..  trans-114.7145.5178.3-63.80000111.5V112 H140 A143V112-D146 CarbonylContact O-C 3.58Å; V112-D146 WeakPolarHBondContact O-CA 3.17Å; H140-D146 WeakPolarHBondContact CA-O 3.44Å; H140-D146 PolarHBondContact N-O 2.85Å; A143-D146 HydrophobicContact CB-CB 4.07Å; A143-D146 VanDerWaalsContact CB-OD2 3.27Å; A143-D146 WeakPolarHBondContact CB-OD2 3.33Å; A143-D146 PolarHBondContact O-N 3.5Å
147G86.2Confident80.8Confident3 Ų349.4 Ų49.43%0.03127%0.274CS..EExtended strand (participates in β ladder)trans-141.2163.8178.400000112.2I111 V112 L115 D138I111-G147 WeakPolarHBondContact CA-O 3.22Å; V112-G147 PolarHBondContact N-O 3.19Å; V112-G147 PolarHBondContact O-N 3.02Å; L115-G147 VanDerWaalsContact CD1-N 3.31Å; D138-G147 CarbonylContact O-C 3.6Å; D138-G147 WeakPolarHBondContact O-CA 3.46Å
148I87.9Confident80.8Confident39 Ų3953.5 Ų53.520%0.229%0.289CS..EExtended strand (participates in β ladder)trans-132130.8-175.3-62.1175.6000107.6R109 V110 I111 A137 D138R109-I148 HydrophobicContact CG-CG2 3.72Å; V110-I148 WeakPolarHBondContact O-CA 3.38Å; I111-I148 HydrophobicContact CG1-CG1 4.45Å; A137-I148 WeakPolarHBondContact CA-O 3.44Å; D138-I148 PolarHBondContact N-O 2.8Å; D138-I148 PolarHBondContact O-N 2.88Å
149V88.6Confident80.8Confident0 Ų056.4 Ų56.40%030%0.302CS..EExtended strand (participates in β ladder)trans-129.4128.8179.1-172.10000108.2R109 V110 V112 L124 M128 V134 Y136 F151R109-V149 CarbonylContact C-O 3.59Å; R109-V149 WeakPolarHBondContact CA-O 3.39Å; V110-V149 PolarHBondContact N-O 2.6Å; V110-V149 PolarHBondContact O-N 2.84Å; V112-V149 HydrophobicContact CG2-CG2 4.22Å; L124-V149 HydrophobicContact CD1-CG2 4.26Å; L124-V149 HydrophobicContact CD2-CG2 3.63Å; L124-V149 HydrophobicContact CG-CG2 3.72Å; M128-V149 HydrophobicContact CB-CG1 4.21Å; M128-V149 HydrophobicContact CE-CB 4.06Å; M128-V149 HydrophobicContact CE-CG1 4.15Å; M128-V149 HydrophobicContact CE-CG2 3.98Å; M128-V149 HydrophobicContact CG-CG1 4.12Å; M128-V149 HydrophobicContact CG-CG2 4.19Å; V134-V149 HydrophobicContact CB-CG1 4.48Å; V134-V149 HydrophobicContact CG1-CG1 3.65Å; V134-V149 HydrophobicContact CG2-CG1 4.03Å; Y136-V149 CarbonylContact O-C 3.6Å; Y136-V149 WeakPolarHBondContact O-CA 3.34Å; V149-F151 HydrophobicContact CB-CE2 4.34Å; V149-F151 HydrophobicContact CG1-CD2 4.27Å; V149-F151 HydrophobicContact CG1-CE2 3.75Å; V149-F151 HydrophobicContact CG1-CZ 3.95Å
150E88.2Confident81Confident14 Ų1455.7 Ų55.77%0.06530%0.296CS..EExtended strand (participates in β ladder)trans-110130.6173.2-54179.9172.600108.2Y108 R109 T135 Y136Y108-E150 WeakPolarHBondContact O-CA 3.25Å; R109-E150 HydrophobicContact CB-CG 4.31Å; R109-E150 HydrophobicContact CG-CG 4.06Å; T135-E150 PolarHBondContact N-O 2.93Å; T135-E150 PolarHBondContact OG1-O 3.01Å; T135-E150 VanDerWaalsContact OG1-O 3.07Å; Y136-E150 HydrophobicContact CD1-CG 4.27Å; Y136-E150 PolarHBondContact N-O 2.86Å; Y136-E150 PolarHBondContact O-N 2.64Å
151F87.4Confident81.7Confident0 Ų054.5 Ų54.50%029%0.292CS..EExtended strand (participates in β ladder)trans-103.4152.3-179.8-74.5-85000111.9T106 Y108 V110 M128 E133 V134 V149 A153 D156 M157 A160T106-F151 VanDerWaalsContact CB-O 3.28Å; T106-F151 WeakPolarHBondContact CB-O 3.45Å; T106-F151 PolarHBondContact OG1-O 3.38Å; Y108-F151 PolarHBondContact O-N 3.03Å; V110-F151 HydrophobicContact CB-CE2 4.35Å; V110-F151 HydrophobicContact CG2-CD2 3.89Å; V110-F151 HydrophobicContact CG2-CE2 3.77Å; M128-F151 HydrophobicContact CB-CE1 4.27Å; M128-F151 HydrophobicContact CB-CZ 3.91Å; M128-F151 HydrophobicContact CE-CE2 3.75Å; M128-F151 HydrophobicContact CE-CZ 3.7Å; M128-F151 HydrophobicContact CG-CZ 4.28Å; M128-F151 HydrophobicContact SD-CZ 3.99Å; E133-F151 CarbonylContact O-C 3.54Å; E133-F151 WeakPolarHBondContact O-CA 3.24Å; V134-F151 HydrophobicContact CG2-CD1 4.14Å; V134-F151 HydrophobicContact CG2-CE1 3.73Å; V134-F151 HydrophobicContact CG2-CZ 4.3Å; V149-F151 HydrophobicContact CB-CE2 4.34Å; V149-F151 HydrophobicContact CG1-CD2 4.27Å; V149-F151 HydrophobicContact CG1-CE2 3.75Å; V149-F151 HydrophobicContact CG1-CZ 3.95Å; F151-A153 VanDerWaalsContact C-N 3.34Å; F151-D156 HydrophobicContact CB-CB 4.23Å; F151-D156 HydrophobicContact CD1-CB 3.7Å; F151-D156 HydrophobicContact CE1-CB 4.4Å; F151-D156 HydrophobicContact CG-CB 4.19Å; F151-M157 HydrophobicContact CB-CB 4.3Å; F151-M157 HydrophobicContact CD2-CB 4.12Å; F151-M157 HydrophobicContact CD2-CG 4.21Å; F151-M157 HydrophobicContact CG-CB 4.4Å; F151-A160 HydrophobicContact CE1-CB 4.06Å; F151-A160 HydrophobicContact CE2-CB 3.67Å; F151-A160 HydrophobicContact CZ-CB 3.28Å
152A86.1Confident82.8Confident40 Ų4053.4 Ų53.433%0.33129%0.289SS..SBendtrans-65.3-38.2173.500000112E133 T135E133-A152 HydrophobicContact CB-CB 4.05Å; E133-A152 HydrophobicContact CG-CB 4.37Å; E133-A152 PolarHBondContact O-N 2.82Å; T135-A152 HydrophobicContact CG2-CB 3.95Å
153A85Confident84Confident35 Ų3553.8 Ų53.829%0.28928%0.277SS..SBendtrans-126.7153.4-174.500000113.6Y108 F151 A155 D156 M157Y108-A153 VanDerWaalsContact CD2-C 3.5Å; F151-A153 VanDerWaalsContact C-N 3.34Å; A153-A155 VanDerWaalsContact C-N 3.32Å; A153-D156 HydrophobicContact CB-CB 4.44Å; A153-M157 PolarHBondContact O-N 2.86Å; A153-M157 VanDerWaalsContact O-N 3.17Å
154Y85.2Confident85.1Confident125 Ų12552.4 Ų52.449%0.4926%0.264SS..Hα-helixtrans-65.4-33.6173.7-179.1-103.1000112.9Y108 M157 K158Y108-Y154 AromaticContact CD1-CD2 3.92Å; Y108-Y154 HydrophobicContact CD1-CD2 3.92Å; Y108-Y154 HydrophobicContact CD1-CG 4.44Å; Y108-Y154 AromaticContact CE1-CD2 3.98Å; Y108-Y154 HydrophobicContact CE1-CD2 3.98Å; Y108-Y154 HydrophobicContact CE1-CG 4.26Å; Y154-M157 HydrophobicContact CD2-CE 3.68Å; Y154-M157 HydrophobicContact CE2-CE 3.5Å; Y154-M157 WeakPolarHBondContact O-CB 3.23Å; Y154-M157 PolarHBondContact O-N 3.44Å; Y154-K158 WeakPolarHBondContact O-CB 3.39Å; Y154-K158 PolarHBondContact O-N 3.03Å
155A87Confident86.1Confident58 Ų5848.7 Ų48.748%0.47925%0.252SS..Hα-helixtrans-62.2-53177.400000110.7A153 M157 K158 E159A153-A155 VanDerWaalsContact C-N 3.32Å; A155-M157 VanDerWaalsContact C-N 3.29Å; A155-M157 PolarHBondContact O-N 2.9Å; A155-K158 PolarHBondContact O-N 3.27Å; A155-K158 VanDerWaalsContact O-N 3.09Å; A155-E159 PolarHBondContact O-N 2.83Å
156D87.6Confident86.3Confident36 Ų3647.3 Ų47.319%0.19325%0.249CC..Hα-helixtrans-52.8-45.3173.9-57.720000112.1G132 E133 F151 A153 K158 E159 A160G132-D156 VanDerWaalsContact CA-OD2 3.32Å; G132-D156 WeakPolarHBondContact CA-OD2 3.22Å; E133-D156 PolarHBondContact N-OD2 2.99Å; F151-D156 HydrophobicContact CB-CB 4.23Å; F151-D156 HydrophobicContact CD1-CB 3.7Å; F151-D156 HydrophobicContact CE1-CB 4.4Å; F151-D156 HydrophobicContact CG-CB 4.19Å; A153-D156 HydrophobicContact CB-CB 4.44Å; D156-K158 PolarHBondContact O-N 2.99Å; D156-E159 PolarHBondContact O-N 3.27Å; D156-A160 WeakPolarHBondContact O-CB 3.31Å; D156-A160 PolarHBondContact O-N 2.92Å
157M85.2Confident86.4Confident8 Ų849.4 Ų49.44%0.03925%0.253CS..Hα-helixtrans-59.6-45.7177-168-164.576.900111.8Y108 V110 F151 A153 Y154 A155 A160 I161 E178Y108-M157 VanDerWaalsContact CA-SD 3.5Å; Y108-M157 HydrophobicContact CD1-SD 4.35Å; V110-M157 HydrophobicContact CG2-CG 3.35Å; V110-M157 HydrophobicContact CG2-SD 4.32Å; F151-M157 HydrophobicContact CB-CB 4.3Å; F151-M157 HydrophobicContact CD2-CB 4.12Å; F151-M157 HydrophobicContact CD2-CG 4.21Å; F151-M157 HydrophobicContact CG-CB 4.4Å; A153-M157 PolarHBondContact O-N 2.86Å; A153-M157 VanDerWaalsContact O-N 3.17Å; Y154-M157 HydrophobicContact CD2-CE 3.68Å; Y154-M157 HydrophobicContact CE2-CE 3.5Å; Y154-M157 WeakPolarHBondContact O-CB 3.23Å; Y154-M157 PolarHBondContact O-N 3.44Å; A155-M157 VanDerWaalsContact C-N 3.29Å; A155-M157 PolarHBondContact O-N 2.9Å; M157-A160 PolarHBondContact O-N 2.88Å; M157-I161 HydrophobicContact CE-CD1 4.34Å; M157-I161 HydrophobicContact CG-CD1 4.42Å; M157-I161 WeakPolarHBondContact O-CD1 3.49Å; M157-I161 WeakPolarHBondContact O-CG1 3.43Å; M157-I161 PolarHBondContact O-N 2.66Å; M157-I161 VanDerWaalsContact O-N 3.09Å; M157-E178 HydrophobicContact CE-CB 4.1Å
158K87Confident86.3Confident100 Ų10055.4 Ų55.444%0.43528%0.28SS..Hα-helixtrans-68.4-45.9179.5-175.2-176.6167.7-170.30111.5Y154 A155 D156 A160 I161 E162Y154-K158 WeakPolarHBondContact O-CB 3.39Å; Y154-K158 PolarHBondContact O-N 3.03Å; A155-K158 PolarHBondContact O-N 3.27Å; A155-K158 VanDerWaalsContact O-N 3.09Å; D156-K158 PolarHBondContact O-N 2.99Å; K158-A160 VanDerWaalsContact C-N 3.27Å; K158-A160 PolarHBondContact O-N 2.92Å; K158-I161 PolarHBondContact O-N 2.89Å; K158-E162 WeakPolarHBondContact CE-OE1 3.22Å; K158-E162 IonicContact NZ-OE1 3.49Å; K158-E162 PolarHBondContact NZ-OE1 3.01Å; K158-E162 PolarHBondContact O-N 3.29Å
159E85.5Confident85.7Confident84 Ų8454.7 Ų54.739%0.39328%0.277SS..Hα-helixtrans-61.3-36.8175.2-74.9-157.9-167.800112.1A131 A155 D156 E162 K163A131-E159 HydrophobicContact CB-CB 4.38Å; A155-E159 PolarHBondContact O-N 2.83Å; D156-E159 PolarHBondContact O-N 3.27Å; E159-E162 PolarHBondContact O-N 2.91Å; E159-K163 VanDerWaalsContact O-CB 3.23Å; E159-K163 WeakPolarHBondContact O-CB 3.45Å; E159-K163 VanDerWaalsContact O-CG 3.3Å; E159-K163 WeakPolarHBondContact O-CG 3.19Å; E159-K163 PolarHBondContact O-N 2.89Å; E159-K163 IonicContact OE2-NZ 2.59Å; E159-K163 PolarHBondContact OE2-NZ 2.77Å
160A86.6Confident85.1Confident0 Ų060.1 Ų60.10%030%0.298CS..Hα-helixtrans-65.8-40.1176.300000112.1M128 A131 F151 D156 M157 K158 F164M128-A160 HydrophobicContact CE-CB 4.04Å; M128-A160 HydrophobicContact SD-CB 4.06Å; A131-A160 HydrophobicContact CB-CB 3.92Å; F151-A160 HydrophobicContact CE1-CB 4.06Å; F151-A160 HydrophobicContact CE2-CB 3.67Å; F151-A160 HydrophobicContact CZ-CB 3.28Å; D156-A160 WeakPolarHBondContact O-CB 3.31Å; D156-A160 PolarHBondContact O-N 2.92Å; M157-A160 PolarHBondContact O-N 2.88Å; K158-A160 VanDerWaalsContact C-N 3.27Å; K158-A160 PolarHBondContact O-N 2.92Å; A160-F164 HydrophobicContact CB-CD2 4.04Å; A160-F164 HydrophobicContact CB-CE2 4.42Å; A160-F164 VanDerWaalsContact O-CB 3.24Å; A160-F164 WeakPolarHBondContact O-CB 3.41Å; A160-F164 WeakPolarHBondContact O-CD2 3.37Å; A160-F164 PolarHBondContact O-N 3.21Å
161I87.8Confident84.6Confident38 Ų3862.1 Ų62.120%0.19532%0.323CS..Hα-helixtrans-62.6-51.8172.7-68.3160.6000110V110 M157 K158 K163 D165 V176 E178V110-I161 HydrophobicContact CG1-CG1 4.38Å; V110-I161 HydrophobicContact CG2-CD1 4.5Å; V110-I161 HydrophobicContact CG2-CG1 4.47Å; M157-I161 HydrophobicContact CE-CD1 4.34Å; M157-I161 HydrophobicContact CG-CD1 4.42Å; M157-I161 WeakPolarHBondContact O-CD1 3.49Å; M157-I161 WeakPolarHBondContact O-CG1 3.43Å; M157-I161 PolarHBondContact O-N 2.66Å; M157-I161 VanDerWaalsContact O-N 3.09Å; K158-I161 PolarHBondContact O-N 2.89Å; I161-K163 VanDerWaalsContact C-N 3.35Å; I161-K163 PolarHBondContact O-N 3.31Å; I161-D165 WeakPolarHBondContact O-CB 3.5Å; I161-D165 PolarHBondContact O-N 3.26Å; I161-V176 HydrophobicContact CB-CG1 4.5Å; I161-V176 HydrophobicContact CG1-CG1 4.02Å; I161-E178 HydrophobicContact CD1-CB 3.87Å; I161-E178 HydrophobicContact CD1-CG 4.4Å
162E86.6Confident84.2Confident134 Ų13465.3 Ų65.363%0.62634%0.335SS*.Hα-helixtrans-65.1-31.9-177.1-70.7178.6173.200113.9K158 E159K158-E162 WeakPolarHBondContact CE-OE1 3.22Å; K158-E162 IonicContact NZ-OE1 3.49Å; K158-E162 PolarHBondContact NZ-OE1 3.01Å; K158-E162 PolarHBondContact O-N 3.29Å; E159-E162 PolarHBondContact O-N 2.91Å
163K84.8Confident84.2Confident114 Ų11471 Ų7150%0.49635%0.348SS..Hα-helixtrans-93.1-30.6-178.3-69.1170.8177.6170.10114.5E159 I161E159-K163 VanDerWaalsContact O-CB 3.23Å; E159-K163 WeakPolarHBondContact O-CB 3.45Å; E159-K163 VanDerWaalsContact O-CG 3.3Å; E159-K163 WeakPolarHBondContact O-CG 3.19Å; E159-K163 PolarHBondContact O-N 2.89Å; E159-K163 IonicContact OE2-NZ 2.59Å; E159-K163 PolarHBondContact OE2-NZ 2.77Å; I161-K163 VanDerWaalsContact C-N 3.35Å; I161-K163 PolarHBondContact O-N 3.31Å
164F85.2Confident84.3Confident10 Ų1069.5 Ų69.54%0.04434%0.335CS..Hα-helixtrans-105.4-13.9-174.8-59.3-61.2000114.6L127 M128 K130 A131 A160 G166 Y167 V176L127-F164 HydrophobicContact CD1-CD1 4.02Å; L127-F164 HydrophobicContact CD1-CE1 3.47Å; L127-F164 VanDerWaalsContact CD1-CE1 3.47Å; L127-F164 HydrophobicContact CD1-CZ 4.19Å; L127-F164 HydrophobicContact CD2-CD1 4.06Å; L127-F164 HydrophobicContact CD2-CE1 4.25Å; L127-F164 HydrophobicContact CG-CD1 3.88Å; L127-F164 HydrophobicContact CG-CE1 3.57Å; L127-F164 HydrophobicContact CG-CZ 4.03Å; L127-F164 WeakPolarHBondContact O-CZ 3.32Å; M128-F164 HydrophobicContact SD-CB 4.41Å; M128-F164 HydrophobicContact SD-CD2 3.26Å; M128-F164 WeakPolarHBondContact SD-CD2 3.45Å; M128-F164 HydrophobicContact SD-CE2 3.67Å; M128-F164 HydrophobicContact SD-CG 4.02Å; K130-F164 HydrophobicContact CB-CZ 4.23Å; A131-F164 HydrophobicContact CB-CD2 4.35Å; A131-F164 HydrophobicContact CB-CE2 3.55Å; A131-F164 HydrophobicContact CB-CZ 4.3Å; A160-F164 HydrophobicContact CB-CD2 4.04Å; A160-F164 HydrophobicContact CB-CE2 4.42Å; A160-F164 VanDerWaalsContact O-CB 3.24Å; A160-F164 WeakPolarHBondContact O-CB 3.41Å; A160-F164 WeakPolarHBondContact O-CD2 3.37Å; A160-F164 PolarHBondContact O-N 3.21Å; F164-G166 PolarHBondContact O-N 3.2Å; F164-Y167 HydrophobicContact CD1-CD2 4.11Å; F164-Y167 HydrophobicContact CD1-CG 4.12Å; F164-Y167 VanDerWaalsContact O-CB 3.32Å; F164-Y167 WeakPolarHBondContact O-CB 3.5Å; F164-Y167 PolarHBondContact O-N 2.79Å; F164-V176 HydrophobicContact CB-CG2 3.88Å; F164-V176 WeakPolarHBondContact O-CG2 3.45Å
165D86.5Confident84.2Confident91 Ų9171 Ų7149%0.48734%0.34SS..THydrogen-bonded Turntrans-63.3122.4168.5-167.652.5000110.3I161 Y167 R175 V176I161-D165 WeakPolarHBondContact O-CB 3.5Å; I161-D165 PolarHBondContact O-N 3.26Å; D165-Y167 VanDerWaalsContact C-N 3.33Å; D165-Y167 PolarHBondContact O-N 2.73Å; D165-R175 WeakPolarHBondContact OD1-CA 3.43Å; D165-V176 HydrophobicContact CB-CB 4.17Å; D165-V176 PolarHBondContact OD1-N 3.43Å
166G84Confident84.3Confident16 Ų1668.5 Ų68.517%0.16532%0.319CS..THydrogen-bonded Turntrans80.1-1-173.800000116.2F164 R173 L174F164-G166 PolarHBondContact O-N 3.2Å; G166-R173 PolarHBondContact O-NE 2.93Å; G166-L174 WeakPolarHBondContact CA-O 3.48Å; G166-L174 PolarHBondContact N-O 3.28Å
167Y85.9Confident84.2Confident93 Ų9371.2 Ų71.237%0.36533%0.327SS..  trans-64.7132.5179.6-174.6-81.7000111.4L127 F164 D165 L169 R173 L174L127-Y167 HydrophobicContact CD1-CD1 4.43Å; L127-Y167 HydrophobicContact CD1-CE1 3.96Å; L127-Y167 HydrophobicContact CD2-CD1 4.3Å; L127-Y167 HydrophobicContact CD2-CE1 4.47Å; F164-Y167 HydrophobicContact CD1-CD2 4.11Å; F164-Y167 HydrophobicContact CD1-CG 4.12Å; F164-Y167 VanDerWaalsContact O-CB 3.32Å; F164-Y167 WeakPolarHBondContact O-CB 3.5Å; F164-Y167 PolarHBondContact O-N 2.79Å; D165-Y167 VanDerWaalsContact C-N 3.33Å; D165-Y167 PolarHBondContact O-N 2.73Å; Y167-L169 HydrophobicContact CD1-CB 4.37Å; Y167-L169 HydrophobicContact CE1-CD1 4.03Å; Y167-R173 CarbonylContact O-C 3.57Å; Y167-R173 WeakPolarHBondContact O-CA 3.27Å; Y167-L174 WeakPolarHBondContact O-CG 3.17Å; Y167-L174 PolarHBondContact O-N 2.92Å
168E83.3Confident84.2Confident128 Ų12873.8 Ų73.860%0.59834%0.339SS*.EExtended strand (participates in β ladder)trans-87.5114.1-177.8-165177.6153.800112G171 R173E168-G171 WeakPolarHBondContact OE1-CA 3.31Å; E168-R173 HydrophobicContact CB-CG 4.39Å; E168-R173 HydrophobicContact CG-CG 4.49Å
169L76Confident83.8Confident25 Ų2570.6 Ų70.613%0.13133%0.326CS..EExtended strand (participates in β ladder)trans-121.7112.7179.3-161.770.6000109.8V119 L127 Y167 G171 R172 L174V119-L169 HydrophobicContact CB-CD2 4.27Å; V119-L169 HydrophobicContact CG1-CD2 3.69Å; V119-L169 HydrophobicContact CG2-CD2 3.46Å; V119-L169 VanDerWaalsContact CG2-CD2 3.46Å; V119-L169 HydrophobicContact CG2-CG 3.94Å; L127-L169 HydrophobicContact CD2-CD1 4.31Å; L127-L169 HydrophobicContact CD2-CD2 4.02Å; Y167-L169 HydrophobicContact CD1-CB 4.37Å; Y167-L169 HydrophobicContact CE1-CD1 4.03Å; L169-G171 PolarHBondContact O-N 2.76Å; L169-R172 PolarHBondContact N-O 2.82Å; L169-R172 PolarHBondContact O-N 2.84Å; L169-L174 HydrophobicContact CB-CD1 4.21Å; L169-L174 HydrophobicContact CB-CD2 4.18Å; L169-L174 HydrophobicContact CB-CG 4.16Å; L169-L174 HydrophobicContact CD2-CD1 4.13Å
170Y75.3Confident82.6Confident113 Ų11375.3 Ų75.344%0.44334%0.341SS..THydrogen-bonded Turntrans50.447.5-174.3-55.3-84.7000114V119 D123 R172V119-Y170 HydrophobicContact CG2-CD2 3.45Å; V119-Y170 VanDerWaalsContact CG2-CD2 3.45Å; V119-Y170 HydrophobicContact CG2-CE2 3.76Å; D123-Y170 PolarHBondContact OD1-OH 3.22Å; Y170-R172 VanDerWaalsContact C-N 3.34Å; Y170-R172 PolarHBondContact O-N 2.77Å
171G78.8Confident81.1Confident57 Ų5780 Ų8059%0.58837%0.371SS*.THydrogen-bonded Turntrans78.51117700000115.3E168 L169E168-G171 WeakPolarHBondContact OE1-CA 3.31Å; L169-G171 PolarHBondContact O-N 2.76Å
172R79.9Confident79Confident66 Ų6680.9 Ų80.925%0.24939%0.389CS..EExtended strand (participates in β ladder)trans-130.1130.9175.5-68.4175.970.1174.22110.1N114 L115 N145 L169 Y170 L174N114-R172 PolarHBondContact O-NE 2.73Å; N114-R172 PolarHBondContact OD1-NE 3.4Å; N114-R172 VanDerWaalsContact OD1-NE 3.11Å; N114-R172 PolarHBondContact OD1-NH2 3.48Å; L115-R172 PolarHBondContact O-NH1 3.13Å; N145-R172 PolarHBondContact ND2-NH2 2.73Å; N145-R172 VanDerWaalsContact ND2-NH2 3.15Å; N145-R172 PolarHBondContact OD1-NH1 2.96Å; L169-R172 PolarHBondContact N-O 2.82Å; L169-R172 PolarHBondContact O-N 2.84Å; Y170-R172 VanDerWaalsContact C-N 3.34Å; Y170-R172 PolarHBondContact O-N 2.77Å; R172-L174 PolarHBondContact O-N 3.08Å
173R84.6Confident76.8Confident161 Ų16183.5 Ų83.561%0.60840%0.402SS*.EExtended strand (participates in β ladder)trans-78.9118.1176.1-64.7-177.266-153.1-1.1110N114 G166 Y167 E168N114-R173 PolarHBondContact ND2-O 3.15Å; G166-R173 PolarHBondContact O-NE 2.93Å; Y167-R173 CarbonylContact O-C 3.57Å; Y167-R173 WeakPolarHBondContact O-CA 3.27Å; E168-R173 HydrophobicContact CB-CG 4.39Å; E168-R173 HydrophobicContact CG-CG 4.49Å
174L86.7Confident74.6Confident2 Ų289 Ų891%0.0142%0.419CS..  trans-64.6146.9176.3-56.5-173.9000110V112 L115 L127 G166 Y167 L169 R172 V176V112-L174 HydrophobicContact CG1-CB 4.07Å; V112-L174 HydrophobicContact CG1-CD1 4.21Å; V112-L174 HydrophobicContact CG1-CD2 4.27Å; V112-L174 HydrophobicContact CG1-CG 4.41Å; L115-L174 HydrophobicContact CD2-CD2 3.68Å; L115-L174 HydrophobicContact CG-CD2 4.36Å; L127-L174 HydrophobicContact CD2-CD1 3.7Å; G166-L174 WeakPolarHBondContact CA-O 3.48Å; G166-L174 PolarHBondContact N-O 3.28Å; Y167-L174 WeakPolarHBondContact O-CG 3.17Å; Y167-L174 PolarHBondContact O-N 2.92Å; L169-L174 HydrophobicContact CB-CD1 4.21Å; L169-L174 HydrophobicContact CB-CD2 4.18Å; L169-L174 HydrophobicContact CB-CG 4.16Å; L169-L174 HydrophobicContact CD2-CD1 4.13Å; R172-L174 PolarHBondContact O-N 3.08Å; L174-V176 HydrophobicContact CB-CG2 4.2Å
175R84.4Confident72.4Confident157 Ų15793.3 Ų93.359%0.59245%0.451SS*.EExtended strand (participates in β ladder)trans-114.5124.2167.2-76.1-177.5175.5-177-2.8108.3V112 E113 D165V112-R175 CarbonylContact C-O 3.49Å; V112-R175 VanDerWaalsContact CA-O 3.3Å; V112-R175 WeakPolarHBondContact CA-O 3.4Å; E113-R175 HydrophobicContact CB-CB 3.89Å; E113-R175 PolarHBondContact N-O 3.44Å; E113-R175 PolarHBondContact O-N 3.11Å; D165-R175 WeakPolarHBondContact OD1-CA 3.43Å
176V88.2Confident70.3Confident6 Ų6100 Ų1004%0.03647%0.469CS..EExtended strand (participates in β ladder)trans-125.3112.3-167.4-175.10000108.8V110 V112 M128 I161 F164 D165 L174V110-V176 HydrophobicContact CG1-CG1 3.31Å; V112-V176 HydrophobicContact CG1-CG2 4.12Å; V112-V176 HydrophobicContact CG2-CG1 4.39Å; V112-V176 HydrophobicContact CG2-CG2 4.26Å; M128-V176 HydrophobicContact CE-CG1 4.24Å; I161-V176 HydrophobicContact CB-CG1 4.5Å; I161-V176 HydrophobicContact CG1-CG1 4.02Å; F164-V176 HydrophobicContact CB-CG2 3.88Å; F164-V176 WeakPolarHBondContact O-CG2 3.45Å; D165-V176 HydrophobicContact CB-CB 4.17Å; D165-V176 PolarHBondContact OD1-N 3.43Å; L174-V176 HydrophobicContact CB-CG2 4.2Å
177Y85.4Confident68.2Low92 Ų92104.6 Ų104.636%0.36150%0.499SS..EExtended strand (participates in β ladder)trans-131.6147.4-179.760.6-87.2000112.3V110 I111 E113 D179V110-Y177 CarbonylContact C-O 3.48Å; V110-Y177 WeakPolarHBondContact CA-O 3.16Å; V110-Y177 WeakPolarHBondContact CG1-O 3.41Å; I111-Y177 HydrophobicContact CB-CD1 4.43Å; I111-Y177 HydrophobicContact CB-CD2 4.17Å; I111-Y177 HydrophobicContact CB-CE1 4Å; I111-Y177 HydrophobicContact CB-CE2 3.71Å; I111-Y177 HydrophobicContact CD1-CE2 3.67Å; I111-Y177 HydrophobicContact CG1-CE2 4.27Å; I111-Y177 HydrophobicContact CG2-CE1 3.7Å; I111-Y177 HydrophobicContact CG2-CE2 4.06Å; I111-Y177 VanDerWaalsContact CG2-CZ 3.46Å; I111-Y177 WeakPolarHBondContact CG2-OH 3.25Å; I111-Y177 PolarHBondContact N-O 2.77Å; I111-Y177 PolarHBondContact O-N 3.23Å; E113-Y177 HydrophobicContact CB-CE1 4.28Å; E113-Y177 HydrophobicContact CG-CE1 3.85Å; E113-Y177 WeakPolarHBondContact OE1-CE1 3.23Å; E113-Y177 PolarHBondContact OE1-OH 3.36Å; Y177-D179 PolarHBondContact O-N 3.35Å
178E86.2Confident65.9Low62 Ų62103.1 Ų103.129%0.2951%0.512SS..EExtended strand (participates in β ladder)trans-62123.6169.948.1175.7-162.200110M157 I161 R180M157-E178 HydrophobicContact CE-CB 4.1Å; I161-E178 HydrophobicContact CD1-CB 3.87Å; I161-E178 HydrophobicContact CD1-CG 4.4Å; E178-R180 HydrophobicContact CG-CG 4.24Å; E178-R180 PolarHBondContact O-N 2.99Å; E178-R180 IonicContact OE1-CZ 3.3Å; E178-R180 IonicContact OE1-NE 3.1Å; E178-R180 PolarHBondContact OE1-NE 3.04Å; E178-R180 IonicContact OE1-NH2 2.64Å; E178-R180 PolarHBondContact OE1-NH2 3.06Å
179D77.7Confident63.8Low33 Ų33100.8 Ų100.818%0.17651%0.51CS..  trans-73.686.4161.1179.777.7000107R109 I111 Y177 P181R109-D179 HydrophobicContact CB-CB 4.13Å; R109-D179 HydrophobicContact CG-CB 4.02Å; R109-D179 IonicContact CZ-OD2 3.17Å; R109-D179 IonicContact NE-OD2 3.89Å; R109-D179 PolarHBondContact NE-OD2 2.87Å; R109-D179 IonicContact NH2-OD1 3.71Å; R109-D179 IonicContact NH2-OD2 3.01Å; R109-D179 PolarHBondContact NH2-OD2 3.49Å; R109-D179 PolarHBondContact O-N 3.49Å; I111-D179 HydrophobicContact CD1-CB 3.73Å; I111-D179 WeakPolarHBondContact CD1-OD1 3.31Å; I111-D179 HydrophobicContact CG1-CB 4Å; Y177-D179 PolarHBondContact O-N 3.35Å; D179-P181 WeakPolarHBondContact O-CD 3.33Å
180R60.8Low62.1Low184 Ų184109.8 Ų109.869%0.69454%0.543SS*.  trans-56.6123.2159.4-65.8-174.7-178.9-154.7-5.3105.9E178 G182E178-R180 HydrophobicContact CG-CG 4.24Å; E178-R180 PolarHBondContact O-N 2.99Å; E178-R180 IonicContact OE1-CZ 3.3Å; E178-R180 IonicContact OE1-NE 3.1Å; E178-R180 PolarHBondContact OE1-NE 3.04Å; E178-R180 IonicContact OE1-NH2 2.64Å; E178-R180 PolarHBondContact OE1-NH2 3.06Å; R180-G182 PolarHBondContact O-N 2.98Å
181P54.9Low60.3Low97 Ų97114.7 Ų114.763%0.6356%0.561SS**  trans-69.772.816530.6-33.9000107.6D179 Q183D179-P181 WeakPolarHBondContact O-CD 3.33Å; P181-Q183 PolarHBondContact O-N 3.22Å
182G43Very low58.6Low57 Ų57116.3 Ų116.359%0.58856%0.563SS**  trans-52.2132.8173.700000106.9R180 R184R180-G182 PolarHBondContact O-N 2.98Å; G182-R184 PolarHBondContact O-N 3.19Å
183Q42.2Very low56.6Low189 Ų189125 Ų12588%0.88360%0.596SS**  trans-67.371.5-171-67.6-163.1-3.100112P181 S185P181-Q183 PolarHBondContact O-N 3.22Å; Q183-S185 PolarHBondContact O-N 3.41Å
184R38.2Very low54.6Low230 Ų230121.4 Ų121.487%0.86860%0.596SS**  trans-65.786.8145.5-82.8-175.3165.7-179-3.8105.5G182 R186G182-R184 PolarHBondContact O-N 3.19Å; R184-R186 PolarHBondContact O-N 2.8Å
185S39.1Very low52.3Low100 Ų100126.9 Ų126.970%0.69963%0.625SS**  trans-36.174.6150.339.10000110.8Q183 S187Q183-S185 PolarHBondContact O-N 3.41Å; S185-S187 PolarHBondContact O-N 3.24Å; S185-S187 PolarHBondContact O-OG 2.85Å
186R41.4Very low50.2Low231 Ų231123.1 Ų123.187%0.87262%0.623SS**  trans-72.673.6152.6-77.8-177169.7163.7-1.6106.3R184 G188R184-R186 PolarHBondContact O-N 2.8Å; R186-G188 PolarHBondContact O-N 3.49Å
187S40.1Very low47.8Very low114 Ų114132.8 Ų132.880%0.79766%0.659SS**  trans-57.344.3131.251.80000110.6S185 S189S185-S187 PolarHBondContact O-N 3.24Å; S185-S187 PolarHBondContact O-OG 2.85Å; S187-S189 PolarHBondContact O-N 2.86Å
188G38.1Very low45.7Very low62 Ų62134.9 Ų134.964%0.63967%0.671SS**  trans-70.983.1163.200000104.9R186 Y190R186-G188 PolarHBondContact O-N 3.49Å; G188-Y190 PolarHBondContact O-N 2.89Å
189S38.2Very low43.3Very low78 Ų78137.4 Ų137.455%0.54570%0.696SS.*  trans-25.2122.6178.4177.20000110.2S187 R191S187-S189 PolarHBondContact O-N 2.86Å; S189-R191 PolarHBondContact O-N 2.84Å; S189-R191 PolarHBondContact OG-N 3.13Å
190Y41.1Very low41.7Very low214 Ų214143 Ų14384%0.83972%0.721SS**  trans-62.66915649.5-83.5000106.7G188 S192G188-Y190 PolarHBondContact O-N 2.89Å; Y190-S192 PolarHBondContact O-N 3.29Å; Y190-S192 PolarHBondContact O-OG 2.77Å
191R37.8Very low40.6Very low217 Ų217145.4 Ų145.482%0.81973%0.73SS**  trans-74.886.8176.6-153.4176.7-165.1175.95.2103.6S189 R193S189-R191 PolarHBondContact O-N 2.84Å; S189-R191 PolarHBondContact OG-N 3.13Å; R191-R193 PolarHBondContact O-N 2.82Å
192S41.9Very low39.9Very low91 Ų91146.2 Ų146.264%0.63674%0.738SS**  trans-40.5105.4-179.3-38.70000106.8Y190 S194Y190-S192 PolarHBondContact O-N 3.29Å; Y190-S192 PolarHBondContact O-OG 2.77Å; S192-S194 PolarHBondContact O-N 2.95Å
193R38.9Very low39.9Very low247 Ų247154.8 Ų154.893%0.93275%0.753SS**  trans-73.971.8165.3-83.6-176.7168.8159.9-3.5105.8R191 D195R191-R193 PolarHBondContact O-N 2.82Å; R193-D195 PolarHBondContact O-N 3.42Å
194S41.8Very low39.9Very low87 Ų87151 Ų15161%0.60875%0.747SS**  trans-60.788.8159.8-55.40000105.6S192 S196S192-S194 PolarHBondContact O-N 2.95Å; S194-S196 PolarHBondContact O-N 2.67Å; S194-S196 PolarHBondContact O-OG 2.82Å
195D38.1Very low40.1Very low117 Ų117151.6 Ų151.663%0.62675%0.749SS**  trans-70.351.6163.8-170.741000108.6R193 R197R193-D195 PolarHBondContact O-N 3.42Å; D195-R197 VanDerWaalsContact C-N 3.26Å; D195-R197 PolarHBondContact O-N 3.04Å; D195-R197 VanDerWaalsContact O-N 3.17Å; D195-R197 VanDerWaalsContact OD1-CG 3.31Å; D195-R197 WeakPolarHBondContact OD1-CG 3.3Å; D195-R197 IonicContact OD1-CZ 3.82Å; D195-R197 IonicContact OD1-NE 3.13Å; D195-R197 PolarHBondContact OD1-NE 3.13Å; D195-R197 IonicContact OD1-NH2 3.72Å; D195-R197 IonicContact OD2-NE 3.59Å
196S40.7Very low40.3Very low77 Ų77152.4 Ų152.454%0.53875%0.746SS.*  trans-85.977.9169.2530000106.6S194 H198S194-S196 PolarHBondContact O-N 2.67Å; S194-S196 PolarHBondContact O-OG 2.82Å; S196-H198 PolarHBondContact O-N 3.35Å
197R38.8Very low40.2Very low210 Ų210147.1 Ų147.179%0.79274%0.744SS**  trans-67.561.4170.8-62.3-178.6-175.2-163.2-1.3111.3D195 S199D195-R197 VanDerWaalsContact C-N 3.26Å; D195-R197 PolarHBondContact O-N 3.04Å; D195-R197 VanDerWaalsContact O-N 3.17Å; D195-R197 VanDerWaalsContact OD1-CG 3.31Å; D195-R197 WeakPolarHBondContact OD1-CG 3.3Å; D195-R197 IonicContact OD1-CZ 3.82Å; D195-R197 IonicContact OD1-NE 3.13Å; D195-R197 PolarHBondContact OD1-NE 3.13Å; D195-R197 IonicContact OD1-NH2 3.72Å; D195-R197 IonicContact OD2-NE 3.59Å; R197-S199 PolarHBondContact O-N 3.24Å
198H40.1Very low40.3Very low135 Ų135148.8 Ų148.863%0.62574%0.739SS**  trans-104.972.8179.9-75.498.6000108.5S196 H200S196-H198 PolarHBondContact O-N 3.35Å; H198-H200 AromaticContact CD2-NE2 3.35Å; H198-H200 PolarHBondContact CD2-NE2 3.09Å; H198-H200 AromaticContact CG-NE2 3.78Å; H198-H200 PolarHBondContact O-N 3.33Å
199S36.3Very low40.4Very low116 Ų116157.1 Ų157.181%0.81175%0.751SS**  trans-7170173173.20000110.4R197 R201R197-S199 PolarHBondContact O-N 3.24Å; S199-R201 PolarHBondContact O-N 2.85Å
200H43.8Very low40.4Very low149 Ų149164.3 Ų164.369%0.6977%0.766SS**  trans-87.997.1173.5-60.4-50.1000109.8H198 S202H198-H200 AromaticContact CD2-NE2 3.35Å; H198-H200 PolarHBondContact CD2-NE2 3.09Å; H198-H200 AromaticContact CG-NE2 3.78Å; H198-H200 PolarHBondContact O-N 3.33Å; H200-S202 PolarHBondContact O-N 3.49Å
201R37.5Very low40.4Very low236 Ų236161.8 Ų161.889%0.89176%0.762SS**  trans-54.3110.3167-93.1175.7163.8163.8-4.9109.7S199 R203S199-R201 PolarHBondContact O-N 2.85Å; R201-R203 PolarHBondContact O-N 3.03Å
202S40.4Very low40.2Very low114 Ų114160.6 Ų160.680%0.79776%0.763SS**  trans-69.1117.5167.734.10000110.4H200H200-S202 PolarHBondContact O-N 3.49Å
203R42.6Very low40Very low237 Ų237161.8 Ų161.889%0.89477%0.771SS**  trans-133.483.3162.3-83.9-170.2170.5172-4.1110.4R201R201-R203 PolarHBondContact O-N 3.03Å
204S42Very low39.8Very low110 Ų110161.2 Ų161.277%0.76977%0.769SS**  trans14120144.8-390000119.8
205R42.6Very low39.6Very low241 Ų241162.6 Ų162.691%0.90978%0.778SS**  trans168.292.2138.5-94.3162.7-177.3-177.50.1106.5
206D43Very low39.8Very low117 Ų117162.9 Ų162.963%0.62679%0.787SS**  65.1105.980-158.9-73.7000113.7H208D206-H208 IonicContact OD1-CE1 3.36Å; D206-H208 PolarHBondContact OD1-CE1 3.43Å; D206-H208 VanDerWaalsContact OD1-CE1 3.3Å; D206-H208 IonicContact OD1-ND1 2.7Å; D206-H208 IonicContact OD1-NE2 2.75Å; D206-H208 IonicContact OD2-CE1 3.39Å; D206-H208 PolarHBondContact OD2-CE1 2.73Å; D206-H208 IonicContact OD2-ND1 2.7Å
207S40.4Very low39.7Very low120 Ų120170.2 Ų170.284%0.83980%0.803SS**  trans-158132.8149.8-31.50000108
208H42.2Very low39.9Very low150 Ų150169.6 Ų169.669%0.69481%0.808SS**  trans-94.6178.7-163.1-53.5-53.1000116D206D206-H208 IonicContact OD1-CE1 3.36Å; D206-H208 PolarHBondContact OD1-CE1 3.43Å; D206-H208 VanDerWaalsContact OD1-CE1 3.3Å; D206-H208 IonicContact OD1-ND1 2.7Å; D206-H208 IonicContact OD1-NE2 2.75Å; D206-H208 IonicContact OD2-CE1 3.39Å; D206-H208 PolarHBondContact OD2-CE1 2.73Å; D206-H208 IonicContact OD2-ND1 2.7Å
209R40.1Very low39.8Very low236 Ų236174.1 Ų174.189%0.89182%0.82SS**  trans98.3110159.2-59.1-175179.8-160.3-1.2114.8
210R37.5Very low39.9Very low229 Ų229177.4 Ų177.486%0.86482%0.822SS**  cis55.4128.742.6-94.3-166-173.7-170.14.7111.2
211Q41.4Very low39.9Very low161 Ų161175.5 Ų175.575%0.75282%0.817SS**  cis-144.31495.9-60.5-171.6-6700108.8
212K33.5Very low39.9Very low193 Ų193174.7 Ų174.784%0.83981%0.814SS**  47.1123.384.9-160.7164.5179.3173.60117.2
213S38.7Very low39.9Very low115 Ų115173.4 Ų173.480%0.80481%0.805SS**  trans73.5135.3160.436.60000121.2
214R34.8Very low39.8Very low236 Ų236169.7 Ų169.789%0.89180%0.802SS**  trans-76.8153.2-177.1-68.4169.7163.3159.8-6.7113.7
215S37.4Very low40Very low115 Ų115169.1 Ų169.180%0.80480%0.798SS**  trans73.2149.3152.5-60.20000116.7
216P42.7Very low40.1Very low124 Ų124162.7 Ų162.781%0.80579%0.79SS**  cis-132.8179.52834.3-12.5000118
217R37.4Very low40.3Very low231 Ų231162 Ų16287%0.87279%0.786SS**  trans-39.3143176.5-55163.5177.4176.2-2.9115.3
218H42.9Very low40.2Very low196 Ų196165.7 Ų165.791%0.90778%0.782SS**  -156.2146.5127.8-109.7-76.8000111.7
219R39.1Very low40.3Very low231 Ų231166.5 Ų166.587%0.87279%0.786SS**  trans-91144.7173.4-57.7168.9174.4167.1-5.2108.6
220H39Very low39.9Very low184 Ų184166.1 Ų166.185%0.85278%0.784SS**  -164.6169.6105-134.311.9000113.2
221D42.6Very low40Very low109 Ų109158.4 Ų158.458%0.58377%0.766SS**  trans-86.2163-168.1-93.2-89.9000113.9
222R37.3Very low39.7Very low220 Ų220159.2 Ų159.283%0.8377%0.769SS**  trans38.4140.9133.8-61.3168.8-167-160.3-7.9119.2
223S41Very low40Very low87 Ų87155.3 Ų155.361%0.60877%0.767SS**  cis172.7176.62.848.20000108.6
224L40.1Very low39.7Very low158 Ų158152.7 Ų152.783%0.82776%0.758SS**  trans71.4144.5162.4-56.5170.7000114.3
225S47.2Very low39.9Very low99 Ų99149.5 Ų149.569%0.69276%0.758SS**  cis-164.4174.22.4-109.80000110.1
226S44.8Very low39.8Very low105 Ų105149.8 Ų149.873%0.73475%0.751SS**  trans72.2137.1153.1-167.30000117.4
227D45.9Very low39.4Very low102 Ų102147.3 Ų147.355%0.54574%0.737SS.*  cis-153.3149.4-11.5-124.4-118.7000109.3
228R37.9Very low39.5Very low199 Ų199142.8 Ų142.875%0.75173%0.725SS**  26.2144.4124.2-59.1-165-171.9108.4-12119.5
229Q45.5Very low39.3Very low166 Ų166141.7 Ų141.778%0.77671%0.713SS**  cis-143160.414.4-64.6-1673.400109.8
230R31.4Very low39Very low228 Ų228140.6 Ų140.686%0.8671%0.709SS**  47.6134.573.1-120.9-167168.1156.2-3.6112.9
231S40.4Very low39.3Very low68 Ų68136.5 Ų136.548%0.47670%0.701SS.*  cis-158.117012.4-380000110.4
232E34.3Very low39.1Very low177 Ų177139.3 Ų139.383%0.82771%0.708SS**  trans61.6164.3147.6-76.4154.48700117.9
233S38.9Very low39.3Very low112 Ų112135 Ų13578%0.78370%0.697SS**  cis-163.1178.5-18.552.10000107.8
234G34.1Very low38.9Very low60 Ų60137.3 Ų137.362%0.61970%0.703SS**  trans93.7136.8167.300000114.6
235N38Very low39.1Very low168 Ų168134.1 Ų134.190%0.89869%0.694SS**  68.6147.265.8-76.715.9000112
236D34.9Very low38.7Very low122 Ų122136.1 Ų136.165%0.65270%0.697SS**  cis-169.4134.9-14.2163.2-108.6000105.7
237S35.6Very low38.7Very low72 Ų72137.7 Ų137.750%0.50370%0.697SS.*  trans37-172.5155.786.30000121
238H39.4Very low38.6Very low136 Ų136137 Ų13763%0.6370%0.698SS**  trans66.7146169.3-67.430.3000117.8
239R38.9Very low38.3Very low173 Ų173138.1 Ų138.165%0.65370%0.702SS**  cis-158.3165.8-19.5-113.7173.3-159.3-165.39.4106.8
240R32.9Very low38.1Very low208 Ų208135.2 Ų135.279%0.78570%0.7SS**  trans15.2136.2140.2-55.4172.7177175.7-3115.8
241S45Very low38.4Very low98 Ų98135.6 Ų135.669%0.68570%0.701SS**  -166.8157.163-59.50000112
242K38.1Very low38.6Very low168 Ų168137.6 Ų137.673%0.7372%0.715SS**  41.1144.7126-65.9173.1150.3-138.10119.3
243E40.8Very low39.3Very low129 Ų129134.5 Ų134.560%0.60371%0.711SS**  cis-152.4163.618.2-133.7130.9-166.700111.1
244N33.2Very low39.7Very low136 Ų136133.8 Ų133.873%0.72771%0.706SS**  trans-2.4152140.6-57.5-22.3000116.8
245S44.7Very low40Very low91 Ų91141.2 Ų141.264%0.63672%0.715SS**  cis-167.7164.936.3-25.30000111
246N37.9Very low40.4Very low141 Ų141144.6 Ų144.675%0.75472%0.716SS**  33.3139.4122.8-44-10000117.4
247D45.4Very low40.7Very low138 Ų138144.8 Ų144.874%0.73873%0.726SS**  cis-173.5-159.518.2-132.4-41.4000107.4
248P43.8Very low41Very low88 Ų88144 Ų14457%0.57173%0.729SS**  trans-126.5-165.3-138.843.9-23.5000113.8
249R31.7Very low41.1Very low222 Ų222143.5 Ų143.584%0.83874%0.736SS**  trans64.6125.9150.9-72.1173.7-179.8-177-0.6119.5
250S41.7Very low41.3Very low105 Ų105142.3 Ų142.373%0.73474%0.743SS**  trans77.6140.3139.976.50000116.4
251R36.8Very low41.4Very low235 Ų235143.4 Ų143.489%0.88775%0.747SS**  cis-152.2146.149.9-74.9168.4174.1177.9-5.6113.6
252S45Very low41.4Very low110 Ų110143.6 Ų143.677%0.76975%0.748SS**  trans-75.6-178.5169.2-42.90000111.7
253P48.2Very low41.4Very low113 Ų113142.7 Ų142.773%0.73475%0.751SS**  -157.913487.737.3-15.8000119.5
254S47.2Very low41.1Very low97 Ų97140.6 Ų140.668%0.67876%0.756SS**  trans71.9156.5135.180.70000119.8
255R41.8Very low41.2Very low215 Ų215145.6 Ų145.681%0.81177%0.765SS**  cis-148.3141.122.9-64.9179.8172-157.8-4.8114.6
256R44.7Very low41Very low240 Ų240146 Ų14691%0.90677%0.767SS**  trans52.2136.7135.9-59.4177.9178.4-148.8-3.4119.5
257S43.1Very low41.1Very low126 Ų126147.2 Ų147.288%0.88177%0.774SS**  cis-153-16214.670.70000110.6
258G41.8Very low40.7Very low55 Ų55145.6 Ų145.657%0.56777%0.773SS**  cis-169.10.69.700000120.4
259T41.2Very low40.6Very low126 Ų126149.4 Ų149.477%0.77378%0.783SS**  trans60.7131.6159.444.20000122.6
260N42.4Very low41.2Very low147 Ų147146 Ų14679%0.78678%0.781SS**  179.1126.7126.2-87-20.8000108.3
261R36Very low41.1Very low232 Ų232145.2 Ų145.288%0.87578%0.775SS**  5912960.4-69.8-175.5173.7177.3-2111.5
262S44.2Very low41.2Very low102 Ų102141.7 Ų141.771%0.71377%0.774SS**  cis-162.2-173.622.355.30000113.1
263N37.1Very low41Very low149 Ų149145.6 Ų145.680%0.79778%0.777SS**  trans68.6115.6173.6-64.4-8.5000117
264A36.5Very low40.5Very low84 Ų84151.5 Ų151.569%0.69479%0.785SS**  cis72.7102.942.900000114.7
265R34.8Very low40.4Very low242 Ų242151.5 Ų151.591%0.91379%0.785SS**  -178.8131.5129.3-97.6158.9-175.2-165.70.2112.2
266S40.6Very low40.9Very low98 Ų98149.2 Ų149.269%0.68579%0.788SS**  trans39.7117.1142.2-39.20000120.4
267N39.8Very low40.8Very low168 Ų168144.9 Ų144.990%0.89878%0.782SS**  -177.3110.9105.1-93.3-7000112.5
268S35.9Very low41.2Very low103 Ų103143 Ų14372%0.7277%0.774SS**  trans-140.2113.4162.855.50000107.5
269H41.3Very low41Very low169 Ų169143.4 Ų143.478%0.78278%0.779SS**  trans165.7145.3148.3-101.7-71.2000111.4
270L45.1Very low41.3Very low151 Ų151142.5 Ų142.579%0.79178%0.778SS**  trans61.5143.9147.9-62.5160.1000117.9
271S38.6Very low41.1Very low88 Ų88146.8 Ų146.862%0.61578%0.783SS**  cis170.6129.8-19.347.40000104.9
272N39.2Very low41.5Very low160 Ų160141.1 Ų141.186%0.85678%0.778SS**  trans-170122.8158.5-94.5-27.2000106.2
273K40.8Very low41.6Very low192 Ų192141.8 Ų141.884%0.83578%0.781SS**  cis60.399.142.7-82.1-166.3174.3-177.80114.7
274R37.6Very low41.6Very low238 Ų238140.1 Ų140.190%0.89878%0.781SS**  trans155.6104.9142.6-88.7167.6172.2-169.7-3.7107.4
275S46.8Very low41.9Very low97 Ų97142 Ų14268%0.67879%0.787SS**  85.4155.868.568.10000113.1
276L50.6Low41.9Very low167 Ų167138.3 Ų138.387%0.87479%0.786SS**  trans84.4131.4-171.6-49.7174.6000113.1
277D43.9Very low41.6Very low149 Ų149137 Ų13780%0.79779%0.788SS**  cis-150.5175.3-5.4-167.637.7000112.7
278A50Low41.5Very low85 Ų85140.5 Ų140.570%0.70279%0.788SS**  trans-62.2164.2-175.200000116.3
279G37.9Very low41.5Very low65 Ų65144.4 Ų144.467%0.6780%0.795SS**  cis161.6-171.1-9.300000114.9
280S49Very low41.4Very low107 Ų107143.9 Ų143.975%0.74880%0.798SS**  trans81.3116.1158.7-27.70000121.1
281R37.9Very low41.4Very low237 Ų237142 Ų14289%0.89480%0.797SS**  trans85.886.9135.4-65169.2-175.3-156.5-0.1120.4
282S44.2Very low41.9Very low112 Ų112146 Ų14678%0.78381%0.81SS**  trans-30.6-179.4132.4-10.20000117.1
283P46Very low42.3Very low117 Ų117146.5 Ų146.576%0.7681%0.805SS**  cis-138.3179.1-16.231.5-9.2000115.3
284S36.2Very low42.3Very low114 Ų114144.7 Ų144.780%0.79780%0.804SS**  trans2.6122.7150.6-172.90000120.2
285C42.9Very low42.5Very low122 Ų122139.5 Ų139.582%0.82479%0.794SS**  trans-160.4152.6131.557.90000113.4
286N35.8Very low42.6Very low166 Ų166143.5 Ų143.589%0.88881%0.807SS**  trans-49.9147-175.4-56.2-36.7000117.2
287G34.6Very low42.1Very low71 Ų71141.8 Ų141.873%0.73280%0.799SS**  trans129.4151.5134.300000117.7
288R37.2Very low42.1Very low240 Ų240146.5 Ų146.591%0.90681%0.805SS**  trans82.9102.5163.7-59.4179.9176.2165.9-0.3117.5
289E35.4Very low41.6Very low185 Ų185153 Ų15386%0.86481%0.812SS**  trans-35.9140.5141.4-57157.1103.800111.8
290N39.6Very low42Very low159 Ų159154.3 Ų154.385%0.8581%0.811SS**  trans-154.397.8156.3-111.6-18000110.8
291S45.3Very low41.5Very low110 Ų110160.1 Ų160.177%0.76982%0.816SS**  trans-74.3125.5167.1-58.20000109.5K293S291-K293 PolarHBondContact O-N 2.92Å; S291-K293 VanDerWaalsContact O-N 3.15Å
292I48.4Very low41.6Very low173 Ų173153.9 Ų153.989%0.88781%0.809SS**  trans-72.5109.8176.6-63.5173.8000109.2
293K47.4Very low41.4Very low170 Ų170160.6 Ų160.674%0.73982%0.817SS**  trans-91.7153.8161.4-70.2173.8177.8170.70109.5S291S291-K293 PolarHBondContact O-N 2.92Å; S291-K293 VanDerWaalsContact O-N 3.15Å
294N40.8Very low40.9Very low154 Ų154160.2 Ų160.282%0.82482%0.817SS**  trans-174.991.9142.8-87.1-17.3000104.3
295D43.7Very low41.3Very low129 Ų129162.1 Ų162.169%0.6982%0.817SS**  8794.183.7-87.4-66000112.9
296L47.1Very low41.2Very low181 Ų181160.4 Ų160.495%0.94881%0.806SS**  trans-140.499.4147.5-79.8-174.3000109
297D41.9Very low41.5Very low132 Ų132160.9 Ų160.971%0.70680%0.803SS**  trans0.7139169.3-124.3-57.1000122.2
298R42Very low41.9Very low247 Ų247162.3 Ų162.393%0.93280%0.801SS**  trans-119.2105.7164.2-83-173.9174.4-174.8-0.5110.3
299R39.6Very low42Very low223 Ų223161.8 Ų161.884%0.84280%0.8SS**  trans-141.6140.1163.1-72.6-177.5173.5-158.1-1.1109.2
300S46.5Very low42.6Very low92 Ų92158.4 Ų158.464%0.64380%0.796SS**  cis-162153.8-12.6-79.90000109.1
301R39.7Very low42.7Very low228 Ų228155 Ų15586%0.8680%0.798SS**  trans51.3107.6143.8-66.4169.2174.5159-3.2119.9
302S39.6Very low42.9Very low106 Ų106154.8 Ų154.874%0.74180%0.797SS**  41.4116.1117-38.20000120.2
303R40.3Very low42.6Very low253 Ų253157.6 Ų157.696%0.95580%0.797SS**  175.4139.7111.4-95.2159.3177.6167-1.9112.4
304S35.7Very low42.8Very low110 Ų110153.7 Ų153.777%0.76979%0.79SS**  trans-93.9130.816837.60000110.6
305I44.6Very low43Very low153 Ų153157.2 Ų157.279%0.78579%0.792SS**  trans-179.9104.4164.3-101.1150.1000104
306S41Very low43Very low86 Ų86155.5 Ų155.560%0.60179%0.79SS**  74.8143.473.276.50000114.3
307H40.8Very low43.4Very low177 Ų177153 Ų15382%0.81978%0.782SS**  trans104.4117.6170.4-60.184.4000119.2
308S42.9Very low43.5Very low100 Ų100154.9 Ų154.970%0.69979%0.787SS**  trans-68159.1168.744.70000114.2
309R40.7Very low43.7Very low230 Ų230147.2 Ų147.287%0.86877%0.771SS**  trans167.2105.6137.4-93.4159.7-176.7-147.1-1.2109.4
310S46.4Very low43.8Very low114 Ų114148 Ų14880%0.79777%0.774SS**  73.7108.392.371.60000114.4
311G42.3Very low43.8Very low86 Ų86149.1 Ų149.189%0.88778%0.782SS**  trans-14989.4171.600000110.1
312S49.9Very low44.4Very low107 Ų107144.6 Ų144.675%0.74878%0.782SS**  trans-109.4150.8-174.144.10000112.3
313R42.5Very low44.5Very low232 Ų232143.2 Ų143.288%0.87579%0.785SS**  trans146113.5155.4-83.9161.4166.4-161.7-7.6110.3
314S51.3Low44.8Very low87 Ų87142.9 Ų142.961%0.60878%0.784SS**  68.5131.774.381.90000112.5
315R44.4Very low45.3Very low229 Ų229142 Ų14286%0.86478%0.777SS**  cis-151.515724.9-94.7120.1175.5-141.1-1.4112.8
316S44.4Very low45.3Very low93 Ų93143.1 Ų143.165%0.6578%0.779SS**  trans-29.1179.2148.351.20000121.2
317V54Low45.7Very low127 Ų127144.7 Ų144.777%0.7779%0.785SS**  trans75.5141.7168.3-60.20000117.5
318E43.9Very low46Very low173 Ų173144.4 Ų144.481%0.80878%0.784SS**  cis-161.7168-15.8-177.4131.787.400110.5
319S46.9Very low46.5Very low86 Ų86144.5 Ų144.560%0.60178%0.784SS**  trans-53.1151.4-179.2600000118.1
320R41.6Very low46.8Very low239 Ų239144.9 Ų144.990%0.90279%0.786SS**  174.3153.6112.1-92.6159.2-176.6-133.5-0.6113.7
321S46.4Very low47.2Very low116 Ų116144.6 Ų144.681%0.81178%0.783SS**  trans-103.5-161.8-175.9-49.20000111.5
322P52.1Low47.5Very low132 Ų132145 Ų14586%0.85778%0.778SS**  -127175.3-77.137.2-20.8000113.8
323G43.2Very low47.7Very low78 Ų78144.6 Ų144.680%0.80478%0.775SS**  trans-174.9131172.200000118.7
324R45.3Very low47.9Very low246 Ų246144.7 Ų144.793%0.92878%0.776SS**  trans-30.7163.4149-80169.8158.4-128.51.1115.8
325S46.8Very low48.1Very low90 Ų90144.9 Ų144.963%0.62978%0.777SS**  cis-177.6154.6-4.645.80000111.6
326H43.8Very low48.3Very low177 Ų177145.2 Ų145.282%0.81978%0.779SS**  trans53.8128.7154.1-74.25.8000121.9
327T51.2Low48.7Very low119 Ų119145 Ų14573%0.7378%0.777SS**  166.8150107.537.60000114.6
328H46.5Very low48.4Very low172 Ų172146.7 Ų146.780%0.79678%0.779SS**  trans24.3143.5155.5-45.6-57.4000122
329S53.9Low48.9Very low102 Ų102142.1 Ų142.171%0.71377%0.765SS**  -175.9151.754.5-57.60000114.2
330R46.2Very low49.2Very low238 Ų238146.3 Ų146.390%0.89878%0.775SS**  39.6147.1129.7-59.2176.8175.7177.8-2.4120.5
331S54.6Low49.2Very low107 Ų107144.5 Ų144.575%0.74877%0.768SS**  cis180153.41032.60000114
332A49.6Very low49.5Very low94 Ų94144 Ų14478%0.77777%0.765SS**  trans60.1159.1146.200000120.7
333S53.3Low49.3Very low99 Ų99145.4 Ų145.469%0.69276%0.76SS**  cis-157.4154.810.3-49.50000113.5
334R46.6Very low49.9Very low234 Ų234147.2 Ų147.288%0.88376%0.761SS**  trans34.9144.6135.3-55.1170.9157173.3-8.3120.7
335S55.7Low49.9Very low91 Ų91138.3 Ų138.364%0.63675%0.745SS**  cis-176.215544.7-360000114.3
336R47.9Very low50.5Low237 Ų237141.1 Ų141.189%0.89476%0.758SS**  trans62.9148140.6-67.8164.5-176.9-178.2-1.4119.8
337S54Low50.9Low89 Ų89138.1 Ų138.162%0.62276%0.755SS**  cis-175.5169.4-8.144.70000111.6
338M46.6Very low50.8Low162 Ų162143.7 Ų143.780%0.79876%0.762SS**  trans86.3143.8162.9-53.8-59.8169.300119.9
339S54.3Low51.1Low76 Ų76146.8 Ų146.853%0.53177%0.767SS.*  cis177.1145.5-3253.20000115.8
340H53.6Low51Low174 Ų174146.6 Ų146.681%0.80677%0.766SS**  trans81.9149.1148.9-45.4-47.6000124.6
341R42.5Very low51.3Low202 Ų202142.8 Ų142.876%0.76276%0.763SS**  trans69.5117.4166.5-78.8175161.3-87.61.5117.9E343R341-E343 IonicContact NH1-OE2 2.97Å; R341-E343 PolarHBondContact NH1-OE2 2.89Å
342S51.6Low51.4Low106 Ų106147.3 Ų147.374%0.74177%0.773SS**  cis88.4112.715.8-42.20000117.1
343E48.7Very low51.6Low160 Ų160151.9 Ų151.975%0.74878%0.778SS**  trans169.8110.2148.6-94.9164.176.700108.3R341R341-E343 IonicContact NH1-OE2 2.97Å; R341-E343 PolarHBondContact NH1-OE2 2.89Å
344S54.4Low52Low117 Ų117155.3 Ų155.382%0.81879%0.785SS**  68139.196.864.80000116.2
345G46.5Very low52.5Low58 Ų58151 Ų15160%0.59878%0.78SS**  cis-170.2152.2-0.800000111
346T60Low52.3Low149 Ų149150.4 Ų150.491%0.91479%0.787SS**  96.3154.3106.3480000117.1
347P51.4Low52.5Low114 Ų114150.4 Ų150.474%0.7479%0.788SS**  trans-130.6179.3-151.743.9-28.7000117.7
348R48.6Very low52.9Low237 Ų237150.8 Ų150.889%0.89479%0.79SS**  trans53.2123.6157.1-75.5-178170.1-121.12.2120
349R52.2Low53.5Low236 Ų236151 Ų15189%0.89180%0.795SS**  168.8162.9120.2-99.6174.3166.7-124.3-1.9114.1
350S52Low53.4Low99 Ų99151.2 Ų151.269%0.69281%0.808SS**  trans63.3119.6161.436.30000117.8
351D52.4Low53.3Low158 Ų158147.7 Ų147.785%0.84581%0.809SS**  79.4102.259.8-67.1-55.1000111.5
352E57.2Low54Low201 Ų201146.2 Ų146.294%0.93981%0.811SS**  trans-152.6140.1154.5-116.8176.1150.600109.7
353E54.7Low54.2Low190 Ų190148.5 Ų148.589%0.88881%0.809SS**  trans-101.1-166.5-163.6-62.4179.693.900113.5
354M60.3Low54.6Low172 Ų172147.6 Ų147.685%0.84781%0.809SS**  trans80.4140.2173.2-57.9-169.2169.300117.6
355D57.9Low54.9Low144 Ų144153.3 Ų153.377%0.7781%0.812SS**  cis-166.6151.4-29.6-112.3-36.6000107.2
356G52.4Low55.3Low77 Ų77158.9 Ų158.979%0.79482%0.822SS**  trans163.444.3-179.700000117.7
357R51.9Low55.5Low238 Ų238154.7 Ų154.790%0.89881%0.809SS**  trans-79.7136.5172.3-60.3175.2-179.9-178.80.7110.9
358S61.2Low56.1Low96 Ų96155.9 Ų155.967%0.67181%0.809SS**  179.6122128.6570000113.8
359N58.9Low56.7Low168 Ų168154.4 Ų154.490%0.89881%0.805SS**  55.1134.4129.5-46.4-13.8000119.4
360G53.6Low57.2Low79 Ų79150.2 Ų150.281%0.81480%0.8SS**  cis-179.9167.41.100000111.9
361A51.6Low57.7Low100 Ų100158.3 Ų158.383%0.82683%0.827SS**  trans-115.2115.817700000110.5
362H57.2Low58Low172 Ų172158.4 Ų158.480%0.79683%0.826SS**  trans-174.7152.6165.3-122.7-119000104.6
363E55.7Low58Low153 Ų153156.1 Ų156.172%0.71582%0.82SS**  cis-153.2162.320.4-170.4159110.300110.2
364I56.8Low58.2Low142 Ų142154.2 Ų154.273%0.72882%0.817SS**  trans-82.5143.2176.1-60.6154.3000109.1E366I364-E366 HydrophobicContact CG2-CG 4.45Å
365R60.1Low58.1Low236 Ų236153.2 Ų153.289%0.89182%0.815SS**  trans-146.1108.1154.1-157.3165.8-170.7125.71.5112.8
366E54.9Low58.1Low175 Ų175153.8 Ų153.882%0.81882%0.818SS**  trans-79.3171.4162.7-64.5174.6133.600110.7I364I364-E366 HydrophobicContact CG2-CG 4.45Å
367G64.9Low58.5Low61 Ų61158.9 Ų158.963%0.62982%0.819SS**  trans145.385.2-175.200000107.7
368D63.8Low59Low139 Ų139153.2 Ų153.274%0.74381%0.814SS**  60.610384.1-62.9-55.2000111
369Y61.3Low58.8Low207 Ų207157.6 Ų157.681%0.81283%0.825SS**  76.6121.675.1-84.5-71.5000113.5
370D63Low58.8Low147 Ų147156.8 Ų156.879%0.78682%0.818SS**  trans17.2121.2167.6-65.3-123.1000121.8
371E62.5Low59.3Low270 Ų270163.8 Ų163.8100%1.26282%0.819SS**  -147.40112.8-162.9167.9-171.500110.8

Retrieved 371 of 371 residues in 349.8 ms (Link to these results)

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