A0A077Z2T6_TRITR Loading...

Amidinotransferase family protein

AlphaFold DB , UniProt , Accession A0A077Z2T6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 263 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
1M85.4Confident97.1Very high173 Ų17341.8 Ų41.885%0.85221%0.208SC*.  0119.20179.2175.6-79.500107.8G48 V50M1-G48 WeakPolarHBondContact CG-O 3.2Å; M1-V50 HydrophobicContact CG-CG2 4.19Å; M1-V50 HydrophobicContact SD-CG2 3.47Å; M1-V50 WeakPolarHBondContact SD-CG2 3.36Å
2K94.9Very high97.2Very high66 Ų6638.6 Ų38.629%0.28719%0.192SC..  trans-71.4141.5-179.8-68.3-169.9-176.7-172.90110.9A49 V50 V215 N263K2-A49 HydrophobicContact CB-CB 4.21Å; K2-A49 CarbonylContact O-C 3.49Å; K2-A49 VanDerWaalsContact O-CA 3.31Å; K2-A49 WeakPolarHBondContact O-CA 3.45Å; K2-A49 WeakPolarHBondContact O-CB 3.47Å; K2-V50 PolarHBondContact O-N 3.49Å; K2-V215 PolarHBondContact NZ-O 2.9Å; K2-N263 WeakPolarHBondContact CA-OD1 3.3Å
3T98.4Very high97.2Very high24 Ų2437.8 Ų37.815%0.14719%0.189CC..EExtended strand (participates in β ladder)trans-113.1132.7170.7-52.40000109.1V50 K52 L262 N263T3-V50 CarbonylContact C-O 3.6Å; T3-V50 VanDerWaalsContact CA-O 3.31Å; T3-V50 WeakPolarHBondContact CA-O 3.38Å; T3-K52 HydrophobicContact CG2-CD 4Å; T3-K52 HydrophobicContact CG2-CG 3.84Å; T3-L262 HydrophobicContact CG2-CD1 3.92Å; T3-L262 WeakPolarHBondContact O-CB 3.33Å; T3-L262 PolarHBondContact O-N 3.35Å; T3-N263 PolarHBondContact N-OD1 2.58Å
4I98.8Very high97.2Very high2 Ų235.7 Ų35.71%0.0118%0.179CC..EExtended strand (participates in β ladder)trans-122131.2-178.4-65.8170.1000109M6 I44 A49 V50 V51 K52 V214 I216 C259 L260I4-M6 HydrophobicContact CG2-CG 4.08Å; I4-I44 HydrophobicContact CD1-CG2 3.63Å; I4-A49 HydrophobicContact CD1-CB 4.24Å; I4-V50 PolarHBondContact N-O 2.92Å; I4-V51 CarbonylContact O-C 3.51Å; I4-V51 WeakPolarHBondContact O-CA 3.16Å; I4-K52 PolarHBondContact O-N 3.46Å; I4-V214 HydrophobicContact CD1-CG1 3.89Å; I4-I216 HydrophobicContact CD1-CD1 4.06Å; I4-I216 HydrophobicContact CD1-CG1 4.28Å; I4-C259 HydrophobicContact CG2-CB 3.66Å; I4-L260 WeakPolarHBondContact CA-O 3.22Å
5L98.8Very high97Very high0 Ų038.8 Ų38.80%020%0.201CC..EExtended strand (participates in β ladder)trans-85.3127.4168.9176.162.4000109.9K52 I54 T66 W97 F98 L260 L262L5-K52 WeakPolarHBondContact CA-O 3.38Å; L5-I54 HydrophobicContact CD1-CB 4.05Å; L5-I54 HydrophobicContact CD1-CG2 4.12Å; L5-T66 HydrophobicContact CG-CG2 4.25Å; L5-T66 PolarHBondContact O-OG1 3Å; L5-W97 HydrophobicContact CD1-CD2 4.25Å; L5-W97 HydrophobicContact CD1-CH2 4.02Å; L5-W97 HydrophobicContact CD1-CZ2 3.55Å; L5-W97 HydrophobicContact CD1-CZ3 4.49Å; L5-W97 HydrophobicContact CD2-CD2 4.21Å; L5-W97 HydrophobicContact CD2-CE3 3.93Å; L5-W97 HydrophobicContact CD2-CH2 4.29Å; L5-W97 HydrophobicContact CD2-CZ2 4.49Å; L5-W97 HydrophobicContact CD2-CZ3 3.99Å; L5-W97 HydrophobicContact CG-CZ2 4.5Å; L5-F98 HydrophobicContact CD2-CE1 4.4Å; L5-F98 HydrophobicContact CD2-CZ 4.29Å; L5-L260 HydrophobicContact CB-CB 4.26Å; L5-L260 HydrophobicContact CD2-CD2 4.46Å; L5-L260 PolarHBondContact N-O 2.74Å; L5-L260 PolarHBondContact O-N 3.44Å; L5-L262 HydrophobicContact CB-CD1 4.12Å; L5-L262 HydrophobicContact CB-CD2 3.99Å; L5-L262 HydrophobicContact CB-CG 4.14Å
6M98.9Very high97Very high0 Ų038.1 Ų38.10%020%0.195CC..EExtended strand (participates in β ladder)trans-126.2163.8169.7-59.1-17971.700110I4 W37 L40 K41 I44 V51 K52 S53 I54 L258I4-M6 HydrophobicContact CG2-CG 4.08Å; M6-W37 HydrophobicContact CB-CZ2 4.1Å; M6-W37 HydrophobicContact CE-CZ2 4.45Å; M6-L40 HydrophobicContact CE-CD2 3.92Å; M6-L40 HydrophobicContact CE-CG 4.04Å; M6-K41 HydrophobicContact CE-CB 4.28Å; M6-K41 HydrophobicContact SD-CB 4.04Å; M6-K41 HydrophobicContact SD-CG 4.45Å; M6-I44 HydrophobicContact CE-CD1 4.38Å; M6-I44 HydrophobicContact SD-CD1 3.82Å; M6-V51 HydrophobicContact CB-CG1 4.01Å; M6-V51 HydrophobicContact CG-CG1 3.83Å; M6-V51 HydrophobicContact SD-CB 4.45Å; M6-V51 HydrophobicContact SD-CG1 3.68Å; M6-V51 HydrophobicContact SD-CG2 3.86Å; M6-K52 PolarHBondContact N-O 3.06Å; M6-S53 VanDerWaalsContact O-CA 3.23Å; M6-S53 WeakPolarHBondContact O-CA 3.35Å; M6-I54 PolarHBondContact O-N 2.79Å; M6-I54 VanDerWaalsContact O-N 3.1Å; M6-L258 WeakPolarHBondContact CG-O 3.48Å
7C98.8Very high97Very high1 Ų141.4 Ų41.41%0.00721%0.209CC..  trans-125.8128.5173177.70000108.6W37 I54 M63 V64 T66C7-W37 PolarHBondContact O-NE1 3.09Å; C7-I54 HydrophobicContact CB-CG2 3.53Å; C7-M63 WeakPolarHBondContact CB-O 3.38Å; C7-V64 WeakPolarHBondContact O-CG2 3.48Å; C7-T66 HydrophobicContact CB-CG2 3.6Å
8P98.7Very high97Very high24 Ų2440.1 Ų40.116%0.15620%0.203CC..  trans-57.7145.5177.3-2534.1000112.7T10 W34 W37 I54 P56P8-T10 PolarHBondContact O-N 3.19Å; P8-W34 HydrophobicContact CB-CH2 4.31Å; P8-W34 HydrophobicContact CB-CZ3 4.45Å; P8-W37 HydrophobicContact CB-CH2 4.44Å; P8-W37 HydrophobicContact CB-CZ2 4.31Å; P8-W37 HydrophobicContact CG-CH2 4.17Å; P8-W37 HydrophobicContact CG-CZ2 4.11Å; P8-I54 VanDerWaalsContact CD-O 3.24Å; P8-I54 WeakPolarHBondContact CD-O 3.43Å; P8-P56 HydrophobicContact CB-CG 4.37Å; P8-P56 WeakPolarHBondContact O-CB 3.25Å
9P98.6Very high97Very high10 Ų1038.9 Ų38.97%0.06520%0.197CC..  trans-82.927.8-173.836.1-35.8000112.6Y11 Y12 W34 W37 V64 F248P9-Y11 PolarHBondContact O-N 3.44Å; P9-Y11 VanDerWaalsContact O-N 3.17Å; P9-Y12 HydrophobicContact CB-CD1 4.47Å; P9-Y12 HydrophobicContact CB-CG 4.5Å; P9-Y12 WeakPolarHBondContact O-CB 3.42Å; P9-Y12 PolarHBondContact O-N 3.11Å; P9-W34 HydrophobicContact CG-CD2 4.31Å; P9-W34 HydrophobicContact CG-CE3 3.72Å; P9-W34 HydrophobicContact CG-CZ3 4.27Å; P9-W37 HydrophobicContact CG-CB 3.75Å; P9-W37 HydrophobicContact CG-CD2 4.46Å; P9-W37 HydrophobicContact CG-CG 3.88Å; P9-V64 HydrophobicContact CB-CG2 4.21Å; P9-F248 HydrophobicContact CB-CE1 4.42Å; P9-F248 HydrophobicContact CB-CZ 4.19Å
10T98.6Very high97Very high63 Ų6341.2 Ų41.239%0.38721%0.214SC..THydrogen-bonded Turntrans-54.3-39.4-172.8-55.10000113.1P8 W34 P56P8-T10 PolarHBondContact O-N 3.19Å; T10-W34 WeakPolarHBondContact OG1-CZ3 3.49Å; T10-P56 WeakPolarHBondContact OG1-CG 3.46Å
11Y98.2Very high96.9Very high97 Ų9742 Ų4238%0.3822%0.215SC..THydrogen-bonded Turntrans-111.49.7179.3-55.5-62.6000112.8P9 D13 P56 V57 N58 P61P9-Y11 PolarHBondContact O-N 3.44Å; P9-Y11 VanDerWaalsContact O-N 3.17Å; Y11-D13 PolarHBondContact O-N 3.25Å; Y11-P56 HydrophobicContact CD2-CB 3.9Å; Y11-P56 HydrophobicContact CD2-CG 4.33Å; Y11-P56 HydrophobicContact CE2-CB 4.33Å; Y11-P56 HydrophobicContact CE2-CG 4.33Å; Y11-V57 WeakPolarHBondContact CD2-O 3.42Å; Y11-N58 HydrophobicContact CD1-CB 4.14Å; Y11-N58 HydrophobicContact CD2-CB 4.32Å; Y11-N58 VanDerWaalsContact CD2-N 3.29Å; Y11-N58 HydrophobicContact CE1-CB 3.9Å; Y11-N58 HydrophobicContact CE2-CB 4.09Å; Y11-N58 VanDerWaalsContact CE2-N 3.33Å; Y11-N58 HydrophobicContact CG-CB 4.35Å; Y11-P61 WeakPolarHBondContact O-CA 3.43Å; Y11-P61 VanDerWaalsContact O-CB 3.31Å; Y11-P61 WeakPolarHBondContact O-CB 3.49Å
12Y98.4Very high97.5Very high3 Ų334.4 Ų34.41%0.01218%0.177CC..  trans-66.9130.2-179.2174.8-121.7000111P9 V28 A33 V64 F65 E247 F248 S251P9-Y12 HydrophobicContact CB-CD1 4.47Å; P9-Y12 HydrophobicContact CB-CG 4.5Å; P9-Y12 WeakPolarHBondContact O-CB 3.42Å; P9-Y12 PolarHBondContact O-N 3.11Å; Y12-V28 HydrophobicContact CD1-CG1 3.9Å; Y12-V28 HydrophobicContact CD1-CG2 4.29Å; Y12-V28 HydrophobicContact CE1-CB 4.39Å; Y12-V28 HydrophobicContact CE1-CG1 3.8Å; Y12-V28 HydrophobicContact CE1-CG2 3.7Å; Y12-A33 HydrophobicContact CD1-CB 4.07Å; Y12-A33 HydrophobicContact CE1-CB 4.36Å; Y12-V64 HydrophobicContact CD2-CG1 3.56Å; Y12-V64 HydrophobicContact CE2-CG1 4.12Å; Y12-V64 HydrophobicContact CG-CG1 4Å; Y12-F65 HydrophobicContact CD2-CE2 4.47Å; Y12-F65 AromaticContact CE2-CE2 3.88Å; Y12-F65 HydrophobicContact CE2-CE2 3.88Å; Y12-F65 AromaticContact CE2-CZ 3.74Å; Y12-F65 HydrophobicContact CE2-CZ 3.74Å; Y12-E247 PolarHBondContact OH-O 3.27Å; Y12-E247 VanDerWaalsContact OH-O 3.05Å; Y12-F248 HydrophobicContact CD1-CD1 4.01Å; Y12-F248 AromaticContact CD1-CE1 3.52Å; Y12-F248 HydrophobicContact CD1-CE1 3.52Å; Y12-F248 HydrophobicContact CD1-CZ 4.23Å; Y12-F248 AromaticContact CE1-CD1 3.5Å; Y12-F248 HydrophobicContact CE1-CD1 3.5Å; Y12-F248 AromaticContact CE1-CE1 3.51Å; Y12-F248 HydrophobicContact CE1-CE1 3.51Å; Y12-F248 HydrophobicContact CE1-CG 4.3Å; Y12-F248 HydrophobicContact CE1-CZ 4.34Å; Y12-F248 HydrophobicContact CE2-CD1 4.42Å; Y12-F248 HydrophobicContact CG-CE1 4.12Å; Y12-F248 AromaticContact CZ-CD1 3.76Å; Y12-F248 WeakPolarHBondContact OH-CA 3.31Å; Y12-S251 WeakPolarHBondContact CE2-OG 3.23Å; Y12-S251 WeakPolarHBondContact OH-CB 3.47Å; Y12-S251 PolarHBondContact OH-OG 3.26Å
13D96.9Very high97.6Very high29 Ų2933.2 Ų33.216%0.15517%0.174CC..  trans-167.3165.3175.4-149.4-16.8000110.1Y11 T15 V28 K30Y11-D13 PolarHBondContact O-N 3.25Å; D13-T15 HydrophobicContact CB-CG2 4.05Å; D13-T15 PolarHBondContact O-N 3.09Å; D13-V28 PolarHBondContact OD1-N 3.28Å; D13-V28 VanDerWaalsContact OD1-N 3.17Å; D13-K30 WeakPolarHBondContact OD2-CE 3.42Å; D13-K30 IonicContact OD2-NZ 3.73Å; D13-K30 PolarHBondContact OD2-NZ 2.75Å
14V96.8Very high97.4Very high8 Ų837.3 Ų37.35%0.04819%0.19CC..  trans-95.989.2171.7179.40000108.8M22 V28 K250 S251V14-M22 HydrophobicContact CG1-CB 4.06Å; V14-M22 HydrophobicContact CG1-CG 4.26Å; V14-V28 HydrophobicContact CG2-CG2 3.97Å; V14-K250 HydrophobicContact CG2-CB 4.22Å; V14-S251 WeakPolarHBondContact CG2-OG 3.31Å
15T95Very high97.3Very high82 Ų8242.7 Ų42.750%0.50322%0.223SC..  trans-103.1-9-177.755.80000114.8D13 K24D13-T15 HydrophobicContact CB-CG2 4.05Å; D13-T15 PolarHBondContact O-N 3.09Å; T15-K24 WeakPolarHBondContact O-CD 3.42Å
16Y96.3Very high97Very high28 Ų2848.6 Ų48.611%0.1125%0.249CC..SBendtrans-147.7169.3178.449.5-106.2000109.5I18 M22 P61 D62 E86Y16-I18 HydrophobicContact CD2-CD1 4.28Å; Y16-I18 HydrophobicContact CD2-CG1 4.05Å; Y16-I18 HydrophobicContact CD2-CG2 3.95Å; Y16-I18 HydrophobicContact CE2-CD1 3.77Å; Y16-I18 HydrophobicContact CE2-CG1 3.97Å; Y16-I18 HydrophobicContact CE2-CG2 4.46Å; Y16-M22 HydrophobicContact CD2-SD 4.24Å; Y16-M22 HydrophobicContact CE2-CE 4.23Å; Y16-M22 HydrophobicContact CE2-SD 4.35Å; Y16-P61 HydrophobicContact CE1-CG 3.68Å; Y16-D62 VanDerWaalsContact CE2-OD2 3.32Å; Y16-D62 WeakPolarHBondContact CE2-OD2 3.47Å; Y16-D62 WeakPolarHBondContact OH-CB 3.49Å; Y16-D62 PolarHBondContact OH-OD2 3.03Å; Y16-E86 HydrophobicContact CD1-CB 3.88Å; Y16-E86 HydrophobicContact CD1-CG 3.73Å; Y16-E86 HydrophobicContact CD2-CB 4.16Å; Y16-E86 HydrophobicContact CD2-CG 4.09Å; Y16-E86 HydrophobicContact CE1-CB 3.67Å; Y16-E86 HydrophobicContact CE1-CG 4.08Å; Y16-E86 HydrophobicContact CE2-CB 3.97Å; Y16-E86 HydrophobicContact CE2-CG 4.42Å; Y16-E86 HydrophobicContact CG-CB 4.11Å; Y16-E86 HydrophobicContact CG-CG 3.73Å
17E97.2Very high96.6Very high94 Ų9452.4 Ų52.444%0.43927%0.273SS..  trans-128.3102.8-177.5-69.3164.4-169.500109M22 K24E17-M22 HydrophobicContact CB-CB 4.3Å; E17-M22 HydrophobicContact CG-CB 4.04Å; E17-K24 VanDerWaalsContact CD-CE 3.4Å; E17-K24 HydrophobicContact CG-CD 4.38Å; E17-K24 HydrophobicContact CG-CG 4.01Å; E17-K24 WeakPolarHBondContact OE1-CB 3.34Å; E17-K24 WeakPolarHBondContact OE1-CE 3.41Å; E17-K24 PolarHBondContact OE1-N 2.7Å
18I96.9Very high96.6Very high18 Ų1852.9 Ų52.99%0.09228%0.276CS..SBendtrans-120.52.1-179.859.4169.5000112.4Y16 M22 F84 R87 R132Y16-I18 HydrophobicContact CD2-CD1 4.28Å; Y16-I18 HydrophobicContact CD2-CG1 4.05Å; Y16-I18 HydrophobicContact CD2-CG2 3.95Å; Y16-I18 HydrophobicContact CE2-CD1 3.77Å; Y16-I18 HydrophobicContact CE2-CG1 3.97Å; Y16-I18 HydrophobicContact CE2-CG2 4.46Å; I18-M22 HydrophobicContact CG1-CE 4.23Å; I18-M22 HydrophobicContact CG1-SD 3.72Å; I18-F84 HydrophobicContact CB-CB 4.47Å; I18-F84 HydrophobicContact CB-CD1 3.82Å; I18-F84 HydrophobicContact CB-CD2 4.22Å; I18-F84 HydrophobicContact CB-CE1 4.07Å; I18-F84 HydrophobicContact CB-CE2 4.45Å; I18-F84 HydrophobicContact CB-CG 3.89Å; I18-F84 HydrophobicContact CB-CZ 4.36Å; I18-F84 HydrophobicContact CD1-CB 4.13Å; I18-F84 HydrophobicContact CD1-CD2 4.32Å; I18-F84 HydrophobicContact CD1-CG 4.21Å; I18-F84 HydrophobicContact CG2-CB 4.13Å; I18-F84 HydrophobicContact CG2-CD1 3.6Å; I18-F84 HydrophobicContact CG2-CE1 4.18Å; I18-F84 HydrophobicContact CG2-CG 3.87Å; I18-R87 HydrophobicContact CD1-CG 4.11Å; I18-R132 PolarHBondContact O-NH2 3.03Å
19N97Very high96.5Very high18 Ų1855.5 Ų55.510%0.09629%0.289CS..SBendtrans-149.3165174.472.859.5000110.5W21 M22 Y163 S251N19-W21 PolarHBondContact O-N 2.91Å; N19-W21 VanDerWaalsContact O-N 3.15Å; N19-W21 WeakPolarHBondContact OD1-CB 3.35Å; N19-W21 PolarHBondContact OD1-N 3.04Å; N19-M22 PolarHBondContact O-N 3.33Å; N19-M22 PolarHBondContact OD1-N 3.02Å; N19-Y163 HydrophobicContact CB-CD1 3.81Å; N19-Y163 HydrophobicContact CB-CE1 3.59Å; N19-Y163 PolarHBondContact ND2-OH 3.47Å; N19-S251 PolarHBondContact ND2-O 3.11Å
20P96.8Very high96.5Very high83 Ų8360 Ų6054%0.53931%0.307SS..THydrogen-bonded Turntrans-66.7-12.2-174.1-24.636.4000116.5
21W96.7Very high96.5Very high59 Ų5961.7 Ų61.722%0.22332%0.319CS..THydrogen-bonded Turntrans-89.9-26.4-178.3-57.994.5000112.6N19 Q161 H207 F209 K250N19-W21 PolarHBondContact O-N 2.91Å; N19-W21 VanDerWaalsContact O-N 3.15Å; N19-W21 WeakPolarHBondContact OD1-CB 3.35Å; N19-W21 PolarHBondContact OD1-N 3.04Å; W21-Q161 HydrophobicContact CZ2-CB 4.18Å; W21-Q161 PolarHBondContact NE1-O 2.88Å; W21-H207 HydrophobicContact CH2-CB 4.16Å; W21-H207 AromaticContact CH2-CD2 3.69Å; W21-F209 HydrophobicContact CD2-CE2 4.05Å; W21-F209 HydrophobicContact CD2-CZ 4.3Å; W21-F209 AromaticContact CE2-CE2 3.62Å; W21-F209 AromaticContact CE2-CZ 3.89Å; W21-F209 HydrophobicContact CE3-CE2 4.41Å; W21-F209 HydrophobicContact CG-CZ 4.48Å; W21-F209 AromaticContact CH2-CE2 4Å; W21-F209 HydrophobicContact CH2-CE2 4Å; W21-F209 AromaticContact CZ2-CE2 3.62Å; W21-F209 HydrophobicContact CZ2-CE2 3.62Å; W21-F209 HydrophobicContact CZ2-CZ 4.28Å; W21-F209 HydrophobicContact CZ3-CE2 4.38Å; W21-F209 AromaticContact NE1-CE2 4Å; W21-F209 AromaticContact NE1-CZ 3.78Å; W21-K250 CarbonylContact C-O 3.05Å
22M97.5Very high96.5Very high14 Ų1459.1 Ų59.17%0.06931%0.312CS..  trans-70.2129.7179.5-72.3176.2169.700111V14 Y16 E17 I18 N19 K250V14-M22 HydrophobicContact CG1-CB 4.06Å; V14-M22 HydrophobicContact CG1-CG 4.26Å; Y16-M22 HydrophobicContact CD2-SD 4.24Å; Y16-M22 HydrophobicContact CE2-CE 4.23Å; Y16-M22 HydrophobicContact CE2-SD 4.35Å; E17-M22 HydrophobicContact CB-CB 4.3Å; E17-M22 HydrophobicContact CG-CB 4.04Å; I18-M22 HydrophobicContact CG1-CE 4.23Å; I18-M22 HydrophobicContact CG1-SD 3.72Å; N19-M22 PolarHBondContact O-N 3.33Å; N19-M22 PolarHBondContact OD1-N 3.02Å; M22-K250 WeakPolarHBondContact CA-O 3.35Å
23D96.7Very high96.6Very high41 Ų4159.1 Ų59.122%0.21931%0.313CS..  trans-138.2103.6174.1179.1-10000108T25 K26D23-T25 PolarHBondContact O-N 3.38Å; D23-T25 VanDerWaalsContact OD1-CB 3.3Å; D23-T25 WeakPolarHBondContact OD1-CB 3.34Å; D23-T25 PolarHBondContact OD1-N 2.87Å; D23-T25 PolarHBondContact OD1-OG1 2.83Å; D23-T25 PolarHBondContact OD2-OG1 2.78Å; D23-K26 HydrophobicContact CB-CB 4.41Å; D23-K26 HydrophobicContact CB-CD 4.27Å; D23-K26 HydrophobicContact CB-CG 4.45Å; D23-K26 PolarHBondContact O-N 2.8Å; D23-K26 WeakPolarHBondContact OD2-CD 3.49Å; D23-K26 WeakPolarHBondContact OD2-CE 3.37Å; D23-K26 IonicContact OD2-NZ 2.8Å; D23-K26 PolarHBondContact OD2-NZ 2.68Å
24K94.5Very high96.6Very high110 Ų11063.5 Ų63.548%0.47833%0.327SS..THydrogen-bonded Turntrans-60.3-18.9-179.3-80.2175.6-69-173.80113.2T15 E17 K26T15-K24 WeakPolarHBondContact O-CD 3.42Å; E17-K24 VanDerWaalsContact CD-CE 3.4Å; E17-K24 HydrophobicContact CG-CD 4.38Å; E17-K24 HydrophobicContact CG-CG 4.01Å; E17-K24 WeakPolarHBondContact OE1-CB 3.34Å; E17-K24 WeakPolarHBondContact OE1-CE 3.41Å; E17-K24 PolarHBondContact OE1-N 2.7Å; K24-K26 PolarHBondContact O-N 3.32Å
25T96Very high96.7Very high115 Ų11569.4 Ų69.471%0.70635%0.354SS*.THydrogen-bonded Turntrans-77-10.1176.5770000112.4D23 P27D23-T25 PolarHBondContact O-N 3.38Å; D23-T25 VanDerWaalsContact OD1-CB 3.3Å; D23-T25 WeakPolarHBondContact OD1-CB 3.34Å; D23-T25 PolarHBondContact OD1-N 2.87Å; D23-T25 PolarHBondContact OD1-OG1 2.83Å; D23-T25 PolarHBondContact OD2-OG1 2.78Å; T25-P27 VanDerWaalsContact O-CD 3.3Å; T25-P27 WeakPolarHBondContact O-CD 3.31Å
26K93.3Very high96.9Very high123 Ų12365.7 Ų65.754%0.53533%0.331SS..SBendtrans-116.977178.2-64.6177.6-172.2134.60110.1D23 K24D23-K26 HydrophobicContact CB-CB 4.41Å; D23-K26 HydrophobicContact CB-CD 4.27Å; D23-K26 HydrophobicContact CB-CG 4.45Å; D23-K26 PolarHBondContact O-N 2.8Å; D23-K26 WeakPolarHBondContact OD2-CD 3.49Å; D23-K26 WeakPolarHBondContact OD2-CE 3.37Å; D23-K26 IonicContact OD2-NZ 2.8Å; D23-K26 PolarHBondContact OD2-NZ 2.68Å; K24-K26 PolarHBondContact O-N 3.32Å
27P90.5Very high97Very high80 Ų8065.2 Ų65.252%0.51933%0.329SS..  trans-62.3160.9-178.827.9-35.9000112T25 K250T25-P27 VanDerWaalsContact O-CD 3.3Å; T25-P27 WeakPolarHBondContact O-CD 3.31Å; P27-K250 PolarHBondContact O-NZ 2.79Å
28V97.4Very high97.1Very high11 Ų1162.6 Ų62.67%0.06732%0.32CS..  trans-73.4132.6177.7172.30000110.1Y12 D13 V14 K30 A33 E247Y12-V28 HydrophobicContact CD1-CG1 3.9Å; Y12-V28 HydrophobicContact CD1-CG2 4.29Å; Y12-V28 HydrophobicContact CE1-CB 4.39Å; Y12-V28 HydrophobicContact CE1-CG1 3.8Å; Y12-V28 HydrophobicContact CE1-CG2 3.7Å; D13-V28 PolarHBondContact OD1-N 3.28Å; D13-V28 VanDerWaalsContact OD1-N 3.17Å; V14-V28 HydrophobicContact CG2-CG2 3.97Å; V28-K30 PolarHBondContact O-N 3.23Å; V28-A33 HydrophobicContact CG1-CB 3.64Å; V28-E247 WeakPolarHBondContact CA-OE2 3.38Å; V28-E247 HydrophobicContact CG1-CB 4.24Å
29N98.3Very high97.2Very high79 Ų7964.7 Ų64.742%0.42233%0.331SS..  trans-73.692.5164.3179.9-13.9000108.3P31 L32 A33 E247N29-P31 WeakPolarHBondContact OD1-CD 3.41Å; N29-L32 HydrophobicContact CB-CB 4.01Å; N29-L32 PolarHBondContact O-N 3.01Å; N29-L32 PolarHBondContact OD1-N 3.25Å; N29-A33 PolarHBondContact O-N 2.92Å; N29-E247 HydrophobicContact CB-CG 4.4Å; N29-E247 PolarHBondContact N-OE2 2.83Å
30K98.1Very high97.3Very high104 Ų10463.8 Ų63.845%0.45233%0.326SS..Hα-helixtrans-57.7-44.9-171.8-60.7-173.4178.8-178.60114.2D13 V28 L32 A33 W34D13-K30 WeakPolarHBondContact OD2-CE 3.42Å; D13-K30 IonicContact OD2-NZ 3.73Å; D13-K30 PolarHBondContact OD2-NZ 2.75Å; V28-K30 PolarHBondContact O-N 3.23Å; K30-L32 VanDerWaalsContact C-N 3.32Å; K30-L32 PolarHBondContact O-N 2.94Å; K30-A33 PolarHBondContact O-N 2.96Å; K30-W34 PolarHBondContact O-N 3.31Å
31P98.5Very high97.4Very high99 Ų9962.1 Ų62.164%0.64331%0.311SS*.Hα-helixtrans-56.1-43.6172.4-28.135.1000113.6N29 W34 E35N29-P31 WeakPolarHBondContact OD1-CD 3.41Å; P31-W34 WeakPolarHBondContact O-CB 3.37Å; P31-W34 PolarHBondContact O-N 3.04Å; P31-E35 PolarHBondContact O-N 2.85Å; P31-E35 VanDerWaalsContact O-N 3.08Å
32L98.7Very high97.5Very high44 Ų4466.8 Ų66.823%0.2333%0.328CS..Hα-helixtrans-68.5-42.7178.8179.759.1000111.8N29 K30 W34 E35 Q36 E247N29-L32 HydrophobicContact CB-CB 4.01Å; N29-L32 PolarHBondContact O-N 3.01Å; N29-L32 PolarHBondContact OD1-N 3.25Å; K30-L32 VanDerWaalsContact C-N 3.32Å; K30-L32 PolarHBondContact O-N 2.94Å; L32-W34 PolarHBondContact O-N 3.5Å; L32-E35 WeakPolarHBondContact O-CB 3.4Å; L32-E35 PolarHBondContact O-N 2.99Å; L32-E35 VanDerWaalsContact O-N 3.13Å; L32-Q36 HydrophobicContact CD1-CG 4.18Å; L32-Q36 HydrophobicContact CG-CG 4.35Å; L32-Q36 WeakPolarHBondContact O-CB 3.31Å; L32-Q36 VanDerWaalsContact O-CG 3.32Å; L32-Q36 WeakPolarHBondContact O-CG 3.31Å; L32-Q36 PolarHBondContact O-N 3.28Å; L32-E247 HydrophobicContact CB-CG 4.05Å; L32-E247 HydrophobicContact CD2-CG 3.79Å; L32-E247 HydrophobicContact CG-CG 3.78Å
33A98.7Very high97.6Very high2 Ų267 Ų672%0.01733%0.33CS..Hα-helixtrans-59.6-37.1175.400000111.9Y12 V28 N29 K30 W37 E247 F248Y12-A33 HydrophobicContact CD1-CB 4.07Å; Y12-A33 HydrophobicContact CE1-CB 4.36Å; V28-A33 HydrophobicContact CG1-CB 3.64Å; N29-A33 PolarHBondContact O-N 2.92Å; K30-A33 PolarHBondContact O-N 2.96Å; A33-W37 VanDerWaalsContact O-CB 3.3Å; A33-W37 WeakPolarHBondContact O-CB 3.43Å; A33-W37 PolarHBondContact O-N 2.83Å; A33-E247 HydrophobicContact CB-CB 3.87Å; A33-E247 HydrophobicContact CB-CG 4.28Å; A33-F248 HydrophobicContact CB-CE2 4.48Å; A33-F248 HydrophobicContact CB-CZ 4.24Å; A33-F248 WeakPolarHBondContact O-CE2 3.3Å
34W98.7Very high97.7Very high121 Ų12165 Ų6546%0.45832%0.319SS..Hα-helixtrans-64.9-43.4174.2-167.7-82.3000112.5P8 P9 T10 K30 P31 L32 T38P8-W34 HydrophobicContact CB-CH2 4.31Å; P8-W34 HydrophobicContact CB-CZ3 4.45Å; P9-W34 HydrophobicContact CG-CD2 4.31Å; P9-W34 HydrophobicContact CG-CE3 3.72Å; P9-W34 HydrophobicContact CG-CZ3 4.27Å; T10-W34 WeakPolarHBondContact OG1-CZ3 3.49Å; K30-W34 PolarHBondContact O-N 3.31Å; P31-W34 WeakPolarHBondContact O-CB 3.37Å; P31-W34 PolarHBondContact O-N 3.04Å; L32-W34 PolarHBondContact O-N 3.5Å; W34-T38 VanDerWaalsContact O-CB 3.31Å; W34-T38 WeakPolarHBondContact O-CB 3.47Å; W34-T38 PolarHBondContact O-N 2.95Å; W34-T38 PolarHBondContact O-OG1 2.86Å
35E98.8Very high97.9Very high132 Ų13263.5 Ų63.562%0.61731%0.314SS*.Hα-helixtrans-62.1-47.9175.3-176.3177.3176.600111.4P31 L32 W37 T38 N39P31-E35 PolarHBondContact O-N 2.85Å; P31-E35 VanDerWaalsContact O-N 3.08Å; L32-E35 WeakPolarHBondContact O-CB 3.4Å; L32-E35 PolarHBondContact O-N 2.99Å; L32-E35 VanDerWaalsContact O-N 3.13Å; E35-W37 PolarHBondContact O-N 2.97Å; E35-T38 PolarHBondContact O-N 2.81Å; E35-N39 WeakPolarHBondContact O-CB 3.46Å; E35-N39 PolarHBondContact O-N 3.24Å
36Q98.8Very high98Very high5 Ų562.1 Ų62.12%0.02331%0.309CS..Hα-helixtrans-60-47.1178.3-71.6175.7-4.800111.8L32 T38 N39 L40 D244 S246 E247 F248L32-Q36 HydrophobicContact CD1-CG 4.18Å; L32-Q36 HydrophobicContact CG-CG 4.35Å; L32-Q36 WeakPolarHBondContact O-CB 3.31Å; L32-Q36 VanDerWaalsContact O-CG 3.32Å; L32-Q36 WeakPolarHBondContact O-CG 3.31Å; L32-Q36 PolarHBondContact O-N 3.28Å; Q36-T38 VanDerWaalsContact C-N 3.34Å; Q36-T38 PolarHBondContact O-N 3.4Å; Q36-N39 PolarHBondContact O-N 3.19Å; Q36-L40 PolarHBondContact O-N 3.32Å; Q36-D244 WeakPolarHBondContact CB-O 3.37Å; Q36-D244 VanDerWaalsContact CG-O 3.25Å; Q36-D244 WeakPolarHBondContact CG-O 3.23Å; Q36-D244 PolarHBondContact NE2-OD1 2.89Å; Q36-D244 PolarHBondContact NE2-OD2 3.23Å; Q36-S246 PolarHBondContact NE2-OG 2.95Å; Q36-E247 VanDerWaalsContact OE1-CB 3.27Å; Q36-F248 HydrophobicContact CB-CD2 4.35Å; Q36-F248 HydrophobicContact CB-CE2 3.92Å
37W98.8Very high98.2Very high17 Ų1756.8 Ų56.86%0.06429%0.287CS..Hα-helixtrans-59.6-44.7175.1-177.698.9000112.1M6 C7 P8 P9 A33 E35 N39 L40 K41 F248M6-W37 HydrophobicContact CB-CZ2 4.1Å; M6-W37 HydrophobicContact CE-CZ2 4.45Å; C7-W37 PolarHBondContact O-NE1 3.09Å; P8-W37 HydrophobicContact CB-CH2 4.44Å; P8-W37 HydrophobicContact CB-CZ2 4.31Å; P8-W37 HydrophobicContact CG-CH2 4.17Å; P8-W37 HydrophobicContact CG-CZ2 4.11Å; P9-W37 HydrophobicContact CG-CB 3.75Å; P9-W37 HydrophobicContact CG-CD2 4.46Å; P9-W37 HydrophobicContact CG-CG 3.88Å; A33-W37 VanDerWaalsContact O-CB 3.3Å; A33-W37 WeakPolarHBondContact O-CB 3.43Å; A33-W37 PolarHBondContact O-N 2.83Å; E35-W37 PolarHBondContact O-N 2.97Å; W37-N39 VanDerWaalsContact C-N 3.31Å; W37-N39 PolarHBondContact O-N 2.65Å; W37-L40 PolarHBondContact O-N 2.82Å; W37-K41 HydrophobicContact CH2-CD 3.64Å; W37-K41 HydrophobicContact CZ2-CD 4.45Å; W37-K41 HydrophobicContact CZ3-CB 4.46Å; W37-K41 HydrophobicContact CZ3-CD 3.75Å; W37-K41 WeakPolarHBondContact O-CB 3.36Å; W37-K41 PolarHBondContact O-N 3.1Å; W37-F248 HydrophobicContact CB-CE2 4.28Å; W37-F248 HydrophobicContact CB-CZ 4.02Å
38T98.8Very high98.6Very high40 Ų4054.8 Ų54.825%0.24528%0.281CS..Hα-helixtrans-64.3-39.5179.3-600000110.9W34 E35 Q36 K41 R42W34-T38 VanDerWaalsContact O-CB 3.31Å; W34-T38 WeakPolarHBondContact O-CB 3.47Å; W34-T38 PolarHBondContact O-N 2.95Å; W34-T38 PolarHBondContact O-OG1 2.86Å; E35-T38 PolarHBondContact O-N 2.81Å; Q36-T38 VanDerWaalsContact C-N 3.34Å; Q36-T38 PolarHBondContact O-N 3.4Å; T38-K41 PolarHBondContact O-N 3.21Å; T38-R42 WeakPolarHBondContact O-CB 3.47Å; T38-R42 PolarHBondContact O-N 2.84Å
39N98.9Very high98.7Very high61 Ų6154.5 Ų54.533%0.32628%0.28SS..Hα-helixtrans-67.4-42.1177-171.146.5000111.8E35 Q36 W37 R42 T43E35-N39 WeakPolarHBondContact O-CB 3.46Å; E35-N39 PolarHBondContact O-N 3.24Å; Q36-N39 PolarHBondContact O-N 3.19Å; W37-N39 VanDerWaalsContact C-N 3.31Å; W37-N39 PolarHBondContact O-N 2.65Å; N39-R42 PolarHBondContact O-N 3.4Å; N39-T43 WeakPolarHBondContact O-CB 3.44Å; N39-T43 PolarHBondContact O-N 3.21Å; N39-T43 PolarHBondContact O-OG1 2.89Å
40L98.9Very high98.7Very high0 Ų053.7 Ų53.70%028%0.277CS..Hα-helixtrans-58.5-51.1173.1177.158.9000110.9M6 Q36 W37 R42 T43 I44 I221 V243 M245 C255 L258M6-L40 HydrophobicContact CE-CD2 3.92Å; M6-L40 HydrophobicContact CE-CG 4.04Å; Q36-L40 PolarHBondContact O-N 3.32Å; W37-L40 PolarHBondContact O-N 2.82Å; L40-R42 PolarHBondContact O-N 3.26Å; L40-T43 PolarHBondContact O-N 3.44Å; L40-T43 VanDerWaalsContact O-N 3.17Å; L40-I44 HydrophobicContact CD1-CD1 3.97Å; L40-I44 HydrophobicContact CD1-CG1 4.31Å; L40-I44 HydrophobicContact CG-CD1 3.92Å; L40-I44 WeakPolarHBondContact O-CG1 3.3Å; L40-I44 PolarHBondContact O-N 2.83Å; L40-I221 HydrophobicContact CD1-CG2 3.84Å; L40-V243 HydrophobicContact CB-CG1 4.15Å; L40-M245 HydrophobicContact CD2-CE 4Å; L40-M245 HydrophobicContact CD2-SD 4.31Å; L40-C255 HydrophobicContact CD1-CB 4Å; L40-L258 HydrophobicContact CD2-CB 3.88Å; L40-L258 HydrophobicContact CD2-CD2 4.06Å
41K98.8Very high98.7Very high48 Ų4849.5 Ų49.521%0.20926%0.261CS..Hα-helixtrans-54.9-49.2176.4174.6175.9-176.8-650111.7M6 W37 T38 T43 I44 E45 V51M6-K41 HydrophobicContact CE-CB 4.28Å; M6-K41 HydrophobicContact SD-CB 4.04Å; M6-K41 HydrophobicContact SD-CG 4.45Å; W37-K41 HydrophobicContact CH2-CD 3.64Å; W37-K41 HydrophobicContact CZ2-CD 4.45Å; W37-K41 HydrophobicContact CZ3-CB 4.46Å; W37-K41 HydrophobicContact CZ3-CD 3.75Å; W37-K41 WeakPolarHBondContact O-CB 3.36Å; W37-K41 PolarHBondContact O-N 3.1Å; T38-K41 PolarHBondContact O-N 3.21Å; K41-T43 VanDerWaalsContact C-N 3.32Å; K41-T43 PolarHBondContact O-N 3.11Å; K41-I44 WeakPolarHBondContact O-CB 3.48Å; K41-I44 PolarHBondContact O-N 2.91Å; K41-E45 WeakPolarHBondContact CE-OE1 3.02Å; K41-E45 IonicContact NZ-OE1 3.08Å; K41-E45 PolarHBondContact NZ-OE1 3.41Å; K41-E45 IonicContact NZ-OE2 3.32Å; K41-E45 PolarHBondContact NZ-OE2 2.81Å; K41-E45 WeakPolarHBondContact O-CG 2.98Å; K41-E45 PolarHBondContact O-N 3.41Å; K41-V51 HydrophobicContact CD-CG1 4.17Å; K41-V51 HydrophobicContact CG-CB 4.21Å; K41-V51 HydrophobicContact CG-CG1 4.17Å; K41-V51 HydrophobicContact CG-CG2 4.09Å
42R98.8Very high98.7Very high157 Ų15748.9 Ų48.959%0.59225%0.248SC*.Hα-helixtrans-61.9-40.1179.1-174.2-174.8-64.5148.20.4111.8T38 N39 L40 E45 S46T38-R42 WeakPolarHBondContact O-CB 3.47Å; T38-R42 PolarHBondContact O-N 2.84Å; N39-R42 PolarHBondContact O-N 3.4Å; L40-R42 PolarHBondContact O-N 3.26Å; R42-E45 PolarHBondContact O-N 3.36Å; R42-S46 WeakPolarHBondContact O-CB 3.2Å; R42-S46 PolarHBondContact O-N 3.03Å; R42-S46 PolarHBondContact O-OG 3.17Å
43T98.9Very high98.7Very high17 Ų1749.2 Ų49.210%0.10425%0.254CS..Hα-helixtrans-63.5-45.8178.1-55.50000110.6N39 L40 K41 E45 S46 C47 I221 H241 V243N39-T43 WeakPolarHBondContact O-CB 3.44Å; N39-T43 PolarHBondContact O-N 3.21Å; N39-T43 PolarHBondContact O-OG1 2.89Å; L40-T43 PolarHBondContact O-N 3.44Å; L40-T43 VanDerWaalsContact O-N 3.17Å; K41-T43 VanDerWaalsContact C-N 3.32Å; K41-T43 PolarHBondContact O-N 3.11Å; T43-E45 PolarHBondContact O-N 3.4Å; T43-S46 PolarHBondContact O-N 2.92Å; T43-S46 PolarHBondContact O-OG 2.95Å; T43-C47 PolarHBondContact O-N 3.4Å; T43-C47 PolarHBondContact O-SG 3Å; T43-I221 HydrophobicContact CG2-CD1 3.83Å; T43-I221 HydrophobicContact CG2-CG1 3.95Å; T43-I221 HydrophobicContact CG2-CG2 4.08Å; T43-H241 HydrophobicContact CG2-CB 3.79Å; T43-V243 HydrophobicContact CG2-CG2 4.28Å
44I98.9Very high98.7Very high0 Ų049.5 Ų49.50%026%0.255CS..Hα-helixtrans-56-49.1174.3-71.2164.4000111.2I4 M6 L40 K41 S46 C47 A49 V51 I216 I221 C259I4-I44 HydrophobicContact CD1-CG2 3.63Å; M6-I44 HydrophobicContact CE-CD1 4.38Å; M6-I44 HydrophobicContact SD-CD1 3.82Å; L40-I44 HydrophobicContact CD1-CD1 3.97Å; L40-I44 HydrophobicContact CD1-CG1 4.31Å; L40-I44 HydrophobicContact CG-CD1 3.92Å; L40-I44 WeakPolarHBondContact O-CG1 3.3Å; L40-I44 PolarHBondContact O-N 2.83Å; K41-I44 WeakPolarHBondContact O-CB 3.48Å; K41-I44 PolarHBondContact O-N 2.91Å; I44-S46 PolarHBondContact O-N 2.96Å; I44-C47 PolarHBondContact O-N 2.93Å; I44-A49 HydrophobicContact CG2-CB 3.75Å; I44-A49 PolarHBondContact O-N 2.69Å; I44-V51 HydrophobicContact CB-CG2 4.23Å; I44-V51 HydrophobicContact CG2-CG2 3.57Å; I44-I216 HydrophobicContact CB-CD1 4.17Å; I44-I216 HydrophobicContact CG1-CD1 4.23Å; I44-I216 HydrophobicContact CG2-CD1 3.85Å; I44-I221 HydrophobicContact CB-CD1 4.38Å; I44-I221 HydrophobicContact CG1-CD1 3.67Å; I44-C259 WeakPolarHBondContact CD1-SG 3.49Å
45E98.7Very high98.7Very high79 Ų7950.9 Ų50.937%0.36927%0.266SS..Hα-helixtrans-65.1-38.9179.5-70.5174146.200112.1K41 R42 T43 C47 G48 A49 V51K41-E45 WeakPolarHBondContact CE-OE1 3.02Å; K41-E45 IonicContact NZ-OE1 3.08Å; K41-E45 PolarHBondContact NZ-OE1 3.41Å; K41-E45 IonicContact NZ-OE2 3.32Å; K41-E45 PolarHBondContact NZ-OE2 2.81Å; K41-E45 WeakPolarHBondContact O-CG 2.98Å; K41-E45 PolarHBondContact O-N 3.41Å; R42-E45 PolarHBondContact O-N 3.36Å; T43-E45 PolarHBondContact O-N 3.4Å; E45-C47 PolarHBondContact O-N 2.86Å; E45-G48 PolarHBondContact O-N 2.92Å; E45-A49 WeakPolarHBondContact CA-O 3.46Å; E45-V51 HydrophobicContact CG-CG2 4.13Å
46S98.5Very high98.7Very high86 Ų8645.6 Ų45.660%0.60124%0.244SC*.Hα-helixtrans-66.7-2517678.20000113.5R42 T43 I44 G48R42-S46 WeakPolarHBondContact O-CB 3.2Å; R42-S46 PolarHBondContact O-N 3.03Å; R42-S46 PolarHBondContact O-OG 3.17Å; T43-S46 PolarHBondContact O-N 2.92Å; T43-S46 PolarHBondContact O-OG 2.95Å; I44-S46 PolarHBondContact O-N 2.96Å; S46-G48 PolarHBondContact O-N 2.81Å
47C98.5Very high98.7Very high11 Ų1146.5 Ų46.57%0.07425%0.25CC..THydrogen-bonded Turntrans-81.71.5173.7-64.70000112.8T43 I44 E45 I216 N219T43-C47 PolarHBondContact O-N 3.4Å; T43-C47 PolarHBondContact O-SG 3Å; I44-C47 PolarHBondContact O-N 2.93Å; E45-C47 PolarHBondContact O-N 2.86Å; C47-I216 HydrophobicContact CB-CB 4.12Å; C47-I216 HydrophobicContact CB-CD1 3.94Å; C47-I216 HydrophobicContact CB-CG2 4.12Å; C47-I216 WeakPolarHBondContact O-CG2 3.32Å; C47-N219 HydrophobicContact CB-CB 3.93Å; C47-N219 VanDerWaalsContact SG-CB 3.58Å
48G98.2Very high98.6Very high37 Ų3751.7 Ų51.738%0.38128%0.279SS..THydrogen-bonded Turntrans93.811174.400000115.4M1 E45 S46M1-G48 WeakPolarHBondContact CG-O 3.2Å; E45-G48 PolarHBondContact O-N 2.92Å; S46-G48 PolarHBondContact O-N 2.81Å
49A98.6Very high98.6Very high5 Ų552.6 Ų52.64%0.04130%0.296CS..  trans-92.5163.1171.500000112.1K2 I4 I44 E45 I216K2-A49 HydrophobicContact CB-CB 4.21Å; K2-A49 CarbonylContact O-C 3.49Å; K2-A49 VanDerWaalsContact O-CA 3.31Å; K2-A49 WeakPolarHBondContact O-CA 3.45Å; K2-A49 WeakPolarHBondContact O-CB 3.47Å; I4-A49 HydrophobicContact CD1-CB 4.24Å; I44-A49 HydrophobicContact CG2-CB 3.75Å; I44-A49 PolarHBondContact O-N 2.69Å; E45-A49 WeakPolarHBondContact CA-O 3.46Å; A49-I216 HydrophobicContact CB-CD1 3.73Å; A49-I216 HydrophobicContact CB-CG1 4.18Å; A49-I216 HydrophobicContact CB-CG2 4.04Å
50V98.5Very high98.5Very high62 Ų6250.6 Ų50.638%0.37629%0.285SS..EExtended strand (participates in β ladder)trans-107.7132.5172.7173.20000109.4M1 K2 T3 I4M1-V50 HydrophobicContact CG-CG2 4.19Å; M1-V50 HydrophobicContact SD-CG2 3.47Å; M1-V50 WeakPolarHBondContact SD-CG2 3.36Å; K2-V50 PolarHBondContact O-N 3.49Å; T3-V50 CarbonylContact C-O 3.6Å; T3-V50 VanDerWaalsContact CA-O 3.31Å; T3-V50 WeakPolarHBondContact CA-O 3.38Å; I4-V50 PolarHBondContact N-O 2.92Å
51V98.8Very high98.5Very high17 Ų1751 Ų5110%0.10329%0.288CS..EExtended strand (participates in β ladder)trans-96.1123.7173.5174.10000110.1I4 M6 K41 I44 E45I4-V51 CarbonylContact O-C 3.51Å; I4-V51 WeakPolarHBondContact O-CA 3.16Å; M6-V51 HydrophobicContact CB-CG1 4.01Å; M6-V51 HydrophobicContact CG-CG1 3.83Å; M6-V51 HydrophobicContact SD-CB 4.45Å; M6-V51 HydrophobicContact SD-CG1 3.68Å; M6-V51 HydrophobicContact SD-CG2 3.86Å; K41-V51 HydrophobicContact CD-CG1 4.17Å; K41-V51 HydrophobicContact CG-CB 4.21Å; K41-V51 HydrophobicContact CG-CG1 4.17Å; K41-V51 HydrophobicContact CG-CG2 4.09Å; I44-V51 HydrophobicContact CB-CG2 4.23Å; I44-V51 HydrophobicContact CG2-CG2 3.57Å; E45-V51 HydrophobicContact CG-CG2 4.13Å
52K98.5Very high98.5Very high85 Ų8548.9 Ų48.937%0.3728%0.278SS..EExtended strand (participates in β ladder)trans-97.9152.2162.3-74.3-170.5172.6-171.50109.3T3 I4 L5 M6 W97 N101 L262T3-K52 HydrophobicContact CG2-CD 4Å; T3-K52 HydrophobicContact CG2-CG 3.84Å; I4-K52 PolarHBondContact O-N 3.46Å; L5-K52 WeakPolarHBondContact CA-O 3.38Å; M6-K52 PolarHBondContact N-O 3.06Å; K52-W97 HydrophobicContact CB-CZ2 4.11Å; K52-W97 HydrophobicContact CD-CH2 4.2Å; K52-W97 HydrophobicContact CD-CZ2 4.07Å; K52-N101 PolarHBondContact NZ-OD1 3.26Å; K52-L262 HydrophobicContact CD-CD1 4.24Å
53S98.3Very high98.5Very high51 Ų5141.5 Ų41.536%0.35725%0.251SS..EExtended strand (participates in β ladder)trans-118.1145.1177.7-59.30000112.6M6 W97M6-S53 VanDerWaalsContact O-CA 3.23Å; M6-S53 WeakPolarHBondContact O-CA 3.35Å; S53-W97 PolarHBondContact O-NE1 3.38Å; S53-W97 VanDerWaalsContact O-NE1 3.11Å
54I98.8Very high98.4Very high8 Ų840.8 Ų40.84%0.04125%0.246CC..PPolyproline II helixtrans-99.9145.9158.9-176.4168.9000108.1L5 M6 C7 P8 M63 T66 F94 W97L5-I54 HydrophobicContact CD1-CB 4.05Å; L5-I54 HydrophobicContact CD1-CG2 4.12Å; M6-I54 PolarHBondContact O-N 2.79Å; M6-I54 VanDerWaalsContact O-N 3.1Å; C7-I54 HydrophobicContact CB-CG2 3.53Å; P8-I54 VanDerWaalsContact CD-O 3.24Å; P8-I54 WeakPolarHBondContact CD-O 3.43Å; I54-M63 HydrophobicContact CD1-CE 3.82Å; I54-M63 HydrophobicContact CG1-CE 4.23Å; I54-T66 HydrophobicContact CG2-CG2 4.22Å; I54-F94 HydrophobicContact CD1-CD1 3.7Å; I54-F94 HydrophobicContact CD1-CE1 3.93Å; I54-F94 HydrophobicContact CG2-CE1 4.23Å; I54-W97 HydrophobicContact CB-CG 4.2Å; I54-W97 HydrophobicContact CD1-CB 3.72Å; I54-W97 HydrophobicContact CD1-CG 3.97Å; I54-W97 HydrophobicContact CG1-CB 4.26Å; I54-W97 HydrophobicContact CG1-CG 4.09Å
55E98.5Very high98.4Very high150 Ų15041.1 Ų41.170%0.70125%0.248SC*.PPolyproline II helixtrans-69132.6176.3-67.6-57.8139.700110.5
56P98.6Very high98.5Very high21 Ų2137.4 Ų37.414%0.13623%0.23CC..PPolyproline II helixtrans-72.4150.8176.232.1-33.6000110.3P8 T10 Y11P8-P56 HydrophobicContact CB-CG 4.37Å; P8-P56 WeakPolarHBondContact O-CB 3.25Å; T10-P56 WeakPolarHBondContact OG1-CG 3.46Å; Y11-P56 HydrophobicContact CD2-CB 3.9Å; Y11-P56 HydrophobicContact CD2-CG 4.33Å; Y11-P56 HydrophobicContact CE2-CB 4.33Å; Y11-P56 HydrophobicContact CE2-CG 4.33Å
57V98.6Very high98.5Very high25 Ų2533.3 Ų33.315%0.15220%0.202CC..  trans-119130-177178.80000110.5Y11 G59 L60 M63 Y93Y11-V57 WeakPolarHBondContact CD2-O 3.42Å; V57-G59 PolarHBondContact O-N 3.34Å; V57-L60 HydrophobicContact CB-CB 4.37Å; V57-L60 HydrophobicContact CB-CD1 4.09Å; V57-L60 HydrophobicContact CB-CG 4.5Å; V57-L60 HydrophobicContact CG1-CD1 4Å; V57-L60 HydrophobicContact CG1-CG 4.35Å; V57-L60 PolarHBondContact O-N 3.02Å; V57-L60 VanDerWaalsContact O-N 3.1Å; V57-M63 HydrophobicContact CB-SD 3.6Å; V57-M63 HydrophobicContact CG2-CE 4.1Å; V57-M63 HydrophobicContact CG2-SD 3.53Å; V57-M63 VanDerWaalsContact CG2-SD 3.53Å; V57-Y93 HydrophobicContact CB-CE2 4.24Å; V57-Y93 HydrophobicContact CG1-CE1 4.31Å; V57-Y93 HydrophobicContact CG1-CE2 3.78Å; V57-Y93 WeakPolarHBondContact CG1-OH 3.4Å; V57-Y93 HydrophobicContact CG2-CD1 3.7Å; V57-Y93 HydrophobicContact CG2-CD2 3.97Å; V57-Y93 HydrophobicContact CG2-CE1 3.59Å; V57-Y93 HydrophobicContact CG2-CE2 3.87Å; V57-Y93 HydrophobicContact CG2-CG 3.87Å
58N98.2Very high98.5Very high126 Ų12632.9 Ų32.967%0.67420%0.199SC*.THydrogen-bonded Turntrans-61.5132.2176.1-173.829.6000110.6Y11Y11-N58 HydrophobicContact CD1-CB 4.14Å; Y11-N58 HydrophobicContact CD2-CB 4.32Å; Y11-N58 VanDerWaalsContact CD2-N 3.29Å; Y11-N58 HydrophobicContact CE1-CB 3.9Å; Y11-N58 HydrophobicContact CE2-CB 4.09Å; Y11-N58 VanDerWaalsContact CE2-N 3.33Å; Y11-N58 HydrophobicContact CG-CB 4.35Å
59G97.8Very high98.5Very high58 Ų5831.2 Ų31.260%0.59818%0.181SC*.THydrogen-bonded Turntrans86.5-1.2-175.300000115V57 P61V57-G59 PolarHBondContact O-N 3.34Å; G59-P61 WeakPolarHBondContact O-CD 3.33Å
60L98.2Very high98.5Very high19 Ų1931 Ų3110%0.09918%0.179CC..  trans-122.670.7173.3-60.6177.4000110.3V57 D62 M63 E90 Y93V57-L60 HydrophobicContact CB-CB 4.37Å; V57-L60 HydrophobicContact CB-CD1 4.09Å; V57-L60 HydrophobicContact CB-CG 4.5Å; V57-L60 HydrophobicContact CG1-CD1 4Å; V57-L60 HydrophobicContact CG1-CG 4.35Å; V57-L60 PolarHBondContact O-N 3.02Å; V57-L60 VanDerWaalsContact O-N 3.1Å; L60-D62 PolarHBondContact O-N 3.2Å; L60-M63 HydrophobicContact CB-CG 3.77Å; L60-M63 HydrophobicContact CB-SD 3.92Å; L60-M63 HydrophobicContact CD1-CG 4.39Å; L60-M63 HydrophobicContact CD1-SD 3.84Å; L60-M63 PolarHBondContact O-N 3.45Å; L60-E90 HydrophobicContact CB-CG 4.34Å; L60-E90 HydrophobicContact CD1-CG 4.29Å; L60-E90 HydrophobicContact CD2-CG 4.3Å; L60-Y93 HydrophobicContact CD1-CD2 3.68Å; L60-Y93 HydrophobicContact CD1-CE2 3.54Å
61P97.9Very high98.5Very high9 Ų928.2 Ų28.26%0.05816%0.162CC..G310 helixtrans-62.2-30.9-171.826.3-35.2000113.2Y11 Y16 G59 M63Y11-P61 WeakPolarHBondContact O-CA 3.43Å; Y11-P61 VanDerWaalsContact O-CB 3.31Å; Y11-P61 WeakPolarHBondContact O-CB 3.49Å; Y16-P61 HydrophobicContact CE1-CG 3.68Å; G59-P61 WeakPolarHBondContact O-CD 3.33Å; P61-M63 VanDerWaalsContact C-N 3.28Å; P61-M63 PolarHBondContact O-N 3.25Å
62D98.4Very high98.5Very high3 Ų328.2 Ų28.22%0.01616%0.162CC..G310 helixtrans-821.3-177.3-74.5-9000114.1Y16 L60 V64 F65 R87Y16-D62 VanDerWaalsContact CE2-OD2 3.32Å; Y16-D62 WeakPolarHBondContact CE2-OD2 3.47Å; Y16-D62 WeakPolarHBondContact OH-CB 3.49Å; Y16-D62 PolarHBondContact OH-OD2 3.03Å; L60-D62 PolarHBondContact O-N 3.2Å; D62-V64 PolarHBondContact O-N 3.37Å; D62-F65 HydrophobicContact CB-CD2 3.87Å; D62-F65 HydrophobicContact CB-CE2 4.35Å; D62-F65 WeakPolarHBondContact O-CB 3.31Å; D62-F65 WeakPolarHBondContact O-CD2 3.48Å; D62-F65 PolarHBondContact O-N 3.49Å; D62-F65 WeakPolarHBondContact OD1-CE2 3.46Å; D62-R87 HydrophobicContact CB-CG 4.31Å; D62-R87 PolarHBondContact O-NH2 2.86Å; D62-R87 IonicContact OD2-NE 3.81Å
63M98.5Very high98.4Very high2 Ų225.8 Ų25.81%0.0115%0.15CC..G310 helixtrans-58.6-19.5171.6-80.2-169.671.100113C7 I54 V57 L60 P61 F65 E90 Y93C7-M63 WeakPolarHBondContact CB-O 3.38Å; I54-M63 HydrophobicContact CD1-CE 3.82Å; I54-M63 HydrophobicContact CG1-CE 4.23Å; V57-M63 HydrophobicContact CB-SD 3.6Å; V57-M63 HydrophobicContact CG2-CE 4.1Å; V57-M63 HydrophobicContact CG2-SD 3.53Å; V57-M63 VanDerWaalsContact CG2-SD 3.53Å; L60-M63 HydrophobicContact CB-CG 3.77Å; L60-M63 HydrophobicContact CB-SD 3.92Å; L60-M63 HydrophobicContact CD1-CG 4.39Å; L60-M63 HydrophobicContact CD1-SD 3.84Å; L60-M63 PolarHBondContact O-N 3.45Å; P61-M63 VanDerWaalsContact C-N 3.28Å; P61-M63 PolarHBondContact O-N 3.25Å; M63-F65 PolarHBondContact O-N 2.78Å; M63-E90 HydrophobicContact CG-CB 4.31Å; M63-E90 HydrophobicContact CG-CG 3.72Å; M63-Y93 HydrophobicContact CE-CG 4.35Å; M63-Y93 HydrophobicContact SD-CD2 4.37Å
64V98.7Very high98.3Very high2 Ų228.6 Ų28.61%0.01216%0.156CC..G310 helixtrans-58.1-28.8171.7700000112.3C7 P9 Y12 D62 T66 F248 L258C7-V64 WeakPolarHBondContact O-CG2 3.48Å; P9-V64 HydrophobicContact CB-CG2 4.21Å; Y12-V64 HydrophobicContact CD2-CG1 3.56Å; Y12-V64 HydrophobicContact CE2-CG1 4.12Å; Y12-V64 HydrophobicContact CG-CG1 4Å; D62-V64 PolarHBondContact O-N 3.37Å; V64-T66 VanDerWaalsContact C-N 3.3Å; V64-T66 PolarHBondContact O-N 3.31Å; V64-T66 VanDerWaalsContact O-N 3.07Å; V64-F248 HydrophobicContact CG1-CE1 4.29Å; V64-F248 HydrophobicContact CG2-CE1 3.75Å; V64-F248 HydrophobicContact CG2-CZ 4.42Å; V64-L258 HydrophobicContact CG2-CD2 3.88Å; V64-L258 HydrophobicContact CG2-CG 4.09Å; V64-L258 WeakPolarHBondContact O-CA 3.3Å
65F98.8Very high98.2Very high8 Ų831.9 Ų31.94%0.03517%0.174CC..  trans-86.863.1-179.3-55.7-61.8000112.3Y12 D62 M63 A67 N68 F248 C257 L258Y12-F65 HydrophobicContact CD2-CE2 4.47Å; Y12-F65 AromaticContact CE2-CE2 3.88Å; Y12-F65 HydrophobicContact CE2-CE2 3.88Å; Y12-F65 AromaticContact CE2-CZ 3.74Å; Y12-F65 HydrophobicContact CE2-CZ 3.74Å; D62-F65 HydrophobicContact CB-CD2 3.87Å; D62-F65 HydrophobicContact CB-CE2 4.35Å; D62-F65 WeakPolarHBondContact O-CB 3.31Å; D62-F65 WeakPolarHBondContact O-CD2 3.48Å; D62-F65 PolarHBondContact O-N 3.49Å; D62-F65 WeakPolarHBondContact OD1-CE2 3.46Å; M63-F65 PolarHBondContact O-N 2.78Å; F65-A67 PolarHBondContact O-N 3.25Å; F65-A67 VanDerWaalsContact O-N 3.15Å; F65-N68 PolarHBondContact O-N 3.43Å; F65-F248 HydrophobicContact CE1-CD1 4.08Å; F65-F248 HydrophobicContact CZ-CD1 4.26Å; F65-C257 CarbonylContact C-O 3.38Å; F65-C257 WeakPolarHBondContact CA-O 3.24Å; F65-C257 HydrophobicContact CD1-CB 3.67Å; F65-C257 HydrophobicContact CE1-CB 4.39Å; F65-C257 HydrophobicContact CG-CB 4.47Å; F65-L258 HydrophobicContact CD1-CD1 3.83Å; F65-L258 HydrophobicContact CD1-CG 4.35Å; F65-L258 HydrophobicContact CE1-CD1 3.75Å
66T98.8Very high98.2Very high0 Ų027.1 Ų27.10%015%0.149CC..G310 helixtrans-62.6-21-173.657.40000114.5L5 C7 I54 V64 N68 A69 F94 C257 L258 L260L5-T66 HydrophobicContact CG-CG2 4.25Å; L5-T66 PolarHBondContact O-OG1 3Å; C7-T66 HydrophobicContact CB-CG2 3.6Å; I54-T66 HydrophobicContact CG2-CG2 4.22Å; V64-T66 VanDerWaalsContact C-N 3.3Å; V64-T66 PolarHBondContact O-N 3.31Å; V64-T66 VanDerWaalsContact O-N 3.07Å; T66-N68 PolarHBondContact O-N 3.45Å; T66-N68 VanDerWaalsContact O-N 3.11Å; T66-A69 WeakPolarHBondContact O-CB 3.43Å; T66-A69 PolarHBondContact O-N 3.25Å; T66-F94 HydrophobicContact CG2-CE1 4.22Å; T66-F94 HydrophobicContact CG2-CZ 4.46Å; T66-C257 PolarHBondContact N-O 3Å; T66-L258 VanDerWaalsContact OG1-C 3.32Å; T66-L258 PolarHBondContact OG1-O 3.06Å; T66-L260 WeakPolarHBondContact O-CB 3.42Å; T66-L260 PolarHBondContact OG1-N 2.97Å
67A98.7Very high98.2Very high0 Ų026.1 Ų26.10%014%0.143CC..G310 helixtrans-55.5-29.7173.300000111.8F65 A69 A115 K256 C257F65-A67 PolarHBondContact O-N 3.25Å; F65-A67 VanDerWaalsContact O-N 3.15Å; A67-A69 VanDerWaalsContact C-N 3.27Å; A67-A69 PolarHBondContact O-N 3.37Å; A67-A115 HydrophobicContact CB-CB 4.46Å; A67-A115 WeakPolarHBondContact O-CA 3.47Å; A67-A115 VanDerWaalsContact O-CB 3.23Å; A67-A115 WeakPolarHBondContact O-CB 3.41Å; A67-A115 PolarHBondContact O-N 2.88Å; A67-K256 WeakPolarHBondContact CB-O 3.32Å; A67-C257 VanDerWaalsContact CB-O 3.26Å; A67-C257 WeakPolarHBondContact CB-O 3.47Å; A67-C257 PolarHBondContact N-O 3.42Å
68N98.5Very high98.2Very high3 Ų325.1 Ų25.12%0.01614%0.137CC..G310 helixtrans-85.92.7-177.8-48.2165.4000112.4F65 T66 G70 S80 F82 R87 E113F65-N68 PolarHBondContact O-N 3.43Å; T66-N68 PolarHBondContact O-N 3.45Å; T66-N68 VanDerWaalsContact O-N 3.11Å; N68-G70 VanDerWaalsContact C-N 3.29Å; N68-G70 PolarHBondContact O-N 3.06Å; N68-S80 WeakPolarHBondContact O-CB 3.44Å; N68-S80 PolarHBondContact O-OG 2.76Å; N68-F82 HydrophobicContact CB-CE1 3.72Å; N68-F82 HydrophobicContact CB-CZ 4.2Å; N68-F82 WeakPolarHBondContact O-CE1 3.49Å; N68-F82 WeakPolarHBondContact O-CZ 3.45Å; N68-R87 PolarHBondContact OD1-NH1 3Å; N68-E113 WeakPolarHBondContact CA-O 3.07Å
69A98.6Very high98.2Very high1 Ų119.2 Ų19.21%0.00811%0.105CC..G310 helixtrans-69.2-28.1179.300000113.1T66 A67 S80 F94 F98 L260T66-A69 WeakPolarHBondContact O-CB 3.43Å; T66-A69 PolarHBondContact O-N 3.25Å; A67-A69 VanDerWaalsContact C-N 3.27Å; A67-A69 PolarHBondContact O-N 3.37Å; A69-S80 VanDerWaalsContact C-OG 3.3Å; A69-S80 PolarHBondContact O-N 3.42Å; A69-S80 PolarHBondContact O-OG 2.75Å; A69-F94 HydrophobicContact CB-CB 4.16Å; A69-F94 HydrophobicContact CB-CD1 3.42Å; A69-F94 VanDerWaalsContact CB-CD1 3.42Å; A69-F94 HydrophobicContact CB-CD2 3.64Å; A69-F94 HydrophobicContact CB-CE1 3.57Å; A69-F94 HydrophobicContact CB-CE2 3.77Å; A69-F94 HydrophobicContact CB-CG 3.47Å; A69-F94 VanDerWaalsContact CB-CG 3.47Å; A69-F94 HydrophobicContact CB-CZ 3.75Å; A69-F98 HydrophobicContact CB-CE2 4.11Å; A69-F98 HydrophobicContact CB-CZ 4.23Å; A69-L260 HydrophobicContact CB-CD2 4.23Å
70G98.5Very high98.2Very high0 Ų016.5 Ų16.50%08%0.077CC..EExtended strand (participates in β ladder)trans165.8-173179.100000112.9N68 W78 S80 A115 L260N68-G70 VanDerWaalsContact C-N 3.29Å; N68-G70 PolarHBondContact O-N 3.06Å; G70-W78 CarbonylContact C-O 3.49Å; G70-W78 WeakPolarHBondContact CA-O 3.18Å; G70-S80 PolarHBondContact N-OG 3.47Å; G70-A115 PolarHBondContact O-N 3.32Å; G70-A115 VanDerWaalsContact O-N 3.09Å; G70-L260 WeakPolarHBondContact O-CD1 3.14Å
71L98.6Very high98.3Very high4 Ų417.1 Ų17.12%0.0218%0.079CC..EExtended strand (participates in β ladder)trans-110.1128.2173.6174.568.5000110.3V77 W78 Y112 F120 L125 I141 M145L71-V77 CarbonylContact O-C 3.53Å; L71-V77 VanDerWaalsContact O-CA 3.31Å; L71-V77 WeakPolarHBondContact O-CA 3.44Å; L71-W78 PolarHBondContact N-O 2.95Å; L71-W78 PolarHBondContact O-N 3.34Å; L71-Y112 HydrophobicContact CB-CE1 4.34Å; L71-Y112 WeakPolarHBondContact CB-OH 3.23Å; L71-F120 HydrophobicContact CD1-CD2 4.33Å; L71-F120 HydrophobicContact CD1-CE2 3.61Å; L71-F120 HydrophobicContact CD1-CZ 4.24Å; L71-F120 HydrophobicContact CG-CE2 4.36Å; L71-L125 HydrophobicContact CD1-CD1 4.05Å; L71-L125 HydrophobicContact CD2-CD1 3.84Å; L71-L125 HydrophobicContact CD2-CD2 3.68Å; L71-L125 HydrophobicContact CD2-CG 4.43Å; L71-I141 HydrophobicContact CD2-CD1 4.49Å; L71-I141 HydrophobicContact CD2-CG2 4.04Å; L71-M145 HydrophobicContact CB-CE 4.37Å; L71-M145 HydrophobicContact CD2-CE 3.77Å; L71-M145 HydrophobicContact CG-CE 3.95Å
72I98.5Very high98.3Very high18 Ų1816.7 Ų16.79%0.0928%0.076CC..EExtended strand (participates in β ladder)trans-96.1133.2178.4-55.2-59.8000110.5R76 V77 F98 F103 F120 L260 P261 L262I72-R76 WeakPolarHBondContact CA-O 3.33Å; I72-V77 HydrophobicContact CD1-CB 3.67Å; I72-V77 HydrophobicContact CD1-CG2 3.62Å; I72-F98 HydrophobicContact CD1-CD1 4.44Å; I72-F98 HydrophobicContact CD1-CE1 3.77Å; I72-F98 HydrophobicContact CD1-CZ 4.22Å; I72-F103 HydrophobicContact CD1-CD1 4.28Å; I72-F103 HydrophobicContact CD1-CE1 3.94Å; I72-F103 HydrophobicContact CG2-CE1 4.01Å; I72-F120 WeakPolarHBondContact O-CE2 3.27Å; I72-L260 HydrophobicContact CD1-CD2 4.21Å; I72-L260 HydrophobicContact CG1-CD1 4.11Å; I72-L260 HydrophobicContact CG1-CD2 4.07Å; I72-L260 HydrophobicContact CG1-CG 4.03Å; I72-P261 VanDerWaalsContact CG1-O 3.3Å; I72-P261 WeakPolarHBondContact CG1-O 3.43Å; I72-L262 HydrophobicContact CD1-CD2 4.3Å; I72-L262 HydrophobicContact CG1-CD2 4.3Å
73Y97.5Very high98.3Very high33 Ų3320.2 Ų20.213%0.1299%0.094CC..EExtended strand (participates in β ladder)trans-140.9115.3166.8-178.7-112.5000109.6N75 R76 F120 L146 E149 V150Y73-N75 PolarHBondContact O-N 3.11Å; Y73-R76 PolarHBondContact N-O 3.29Å; Y73-R76 WeakPolarHBondContact O-CB 3.25Å; Y73-R76 PolarHBondContact O-N 3.05Å; Y73-F120 HydrophobicContact CD2-CE1 4.21Å; Y73-F120 AromaticContact CD2-CZ 3.9Å; Y73-F120 HydrophobicContact CD2-CZ 3.9Å; Y73-L146 HydrophobicContact CD1-CD2 3.57Å; Y73-L146 HydrophobicContact CD2-CD2 3.86Å; Y73-L146 HydrophobicContact CE1-CD2 4.16Å; Y73-L146 HydrophobicContact CE2-CD2 4.43Å; Y73-L146 HydrophobicContact CG-CD2 3.39Å; Y73-E149 PolarHBondContact OH-OE2 3.15Å; Y73-V150 HydrophobicContact CD2-CG2 4.5Å; Y73-V150 HydrophobicContact CE2-CG2 3.71Å
74K95.3Very high98.2Very high111 Ų11122.9 Ų22.948%0.48311%0.105SC..THydrogen-bonded Turntrans54.5-127.1-170.9-55.1173.9-176.4168.20109.8R76 E149K74-R76 VanDerWaalsContact C-N 3.33Å; K74-E149 IonicContact NZ-OE1 3.61Å; K74-E149 IonicContact NZ-OE2 2.7Å; K74-E149 PolarHBondContact NZ-OE2 2.98Å
75N96.7Very high98.2Very high77 Ų7727.1 Ų27.141%0.41213%0.133SC..THydrogen-bonded Turntrans-92.215.9175.272-52.3000113.2Y73 F103 D104Y73-N75 PolarHBondContact O-N 3.11Å; N75-F103 CarbonylContact O-C 3.43Å; N75-F103 VanDerWaalsContact O-CA 3.25Å; N75-F103 WeakPolarHBondContact O-CA 3.34Å; N75-F103 WeakPolarHBondContact O-CD1 3.25Å; N75-D104 PolarHBondContact ND2-OD2 2.83Å; N75-D104 PolarHBondContact O-N 2.89Å
76R98.3Very high98.2Very high49 Ų4930.3 Ų30.319%0.18515%0.148CC..EExtended strand (participates in β ladder)trans-108.9146.5-177.5-51.9179.6-178170.23.2110.4I72 Y73 K74 D104 F106 M145 D147I72-R76 WeakPolarHBondContact CA-O 3.33Å; Y73-R76 PolarHBondContact N-O 3.29Å; Y73-R76 WeakPolarHBondContact O-CB 3.25Å; Y73-R76 PolarHBondContact O-N 3.05Å; K74-R76 VanDerWaalsContact C-N 3.33Å; R76-D104 WeakPolarHBondContact CA-O 3.2Å; R76-D104 HydrophobicContact CG-CB 4.16Å; R76-F106 HydrophobicContact CB-CD2 4.3Å; R76-F106 HydrophobicContact CB-CE2 3.91Å; R76-F106 HydrophobicContact CG-CE2 4.03Å; R76-M145 HydrophobicContact CB-CG 3.75Å; R76-M145 HydrophobicContact CB-SD 4.07Å; R76-M145 WeakPolarHBondContact CD-O 3.19Å; R76-M145 PolarHBondContact NH1-O 3.13Å; R76-D147 IonicContact CZ-OD1 3.27Å; R76-D147 IonicContact CZ-OD2 3.94Å; R76-D147 VanDerWaalsContact CZ-OD2 3.27Å; R76-D147 IonicContact NH1-OD1 2.83Å; R76-D147 PolarHBondContact NH1-OD1 3.09Å; R76-D147 IonicContact NH1-OD2 3.84Å; R76-D147 PolarHBondContact NH1-OD2 3.33Å; R76-D147 IonicContact NH2-OD1 2.87Å; R76-D147 IonicContact NH2-OD2 3.05Å; R76-D147 PolarHBondContact NH2-OD2 3.19Å
77V98.7Very high98.1Very high0 Ų030.7 Ų30.70%015%0.149CC..EExtended strand (participates in β ladder)trans-129.2132.117360.40000110.5L71 I72 F98 F103 D104 V105 F106L71-V77 CarbonylContact O-C 3.53Å; L71-V77 VanDerWaalsContact O-CA 3.31Å; L71-V77 WeakPolarHBondContact O-CA 3.44Å; I72-V77 HydrophobicContact CD1-CB 3.67Å; I72-V77 HydrophobicContact CD1-CG2 3.62Å; V77-F98 HydrophobicContact CB-CD1 4.43Å; V77-F98 HydrophobicContact CB-CG 4.42Å; V77-F98 HydrophobicContact CG1-CB 3.94Å; V77-F98 HydrophobicContact CG1-CD1 4.21Å; V77-F98 HydrophobicContact CG1-CD2 4.01Å; V77-F98 HydrophobicContact CG1-CG 3.81Å; V77-F98 HydrophobicContact CG2-CD1 4.46Å; V77-F98 HydrophobicContact CG2-CD2 4.06Å; V77-F98 HydrophobicContact CG2-CE1 4.29Å; V77-F98 HydrophobicContact CG2-CE2 3.86Å; V77-F98 HydrophobicContact CG2-CG 4.38Å; V77-F98 HydrophobicContact CG2-CZ 4Å; V77-F103 HydrophobicContact CB-CD1 4.42Å; V77-F103 HydrophobicContact CG1-CB 4.05Å; V77-D104 PolarHBondContact N-O 3.49Å; V77-V105 HydrophobicContact CG1-CB 4.19Å; V77-V105 HydrophobicContact CG1-CG1 4.4Å; V77-V105 HydrophobicContact CG1-CG2 3.69Å; V77-F106 PolarHBondContact O-N 3.45Å
78W98.7Very high98.1Very high5 Ų534.8 Ų34.82%0.01917%0.168CC..EExtended strand (participates in β ladder)trans-93105.8162.5-167.6-75.3000108.2G70 L71 F106 Y112 V137 K140 I141 L144 M145G70-W78 CarbonylContact C-O 3.49Å; G70-W78 WeakPolarHBondContact CA-O 3.18Å; L71-W78 PolarHBondContact N-O 2.95Å; L71-W78 PolarHBondContact O-N 3.34Å; W78-F106 CarbonylContact C-O 3.57Å; W78-F106 WeakPolarHBondContact CA-O 3.38Å; W78-F106 HydrophobicContact CD2-CB 4.18Å; W78-F106 HydrophobicContact CE3-CB 3.57Å; W78-F106 HydrophobicContact CE3-CG 4.3Å; W78-F106 HydrophobicContact CZ3-CB 4.01Å; W78-F106 HydrophobicContact CZ3-CD1 4.47Å; W78-Y112 HydrophobicContact CB-CE1 4.46Å; W78-Y112 AromaticContact CD1-CD1 3.41Å; W78-Y112 VanDerWaalsContact CD1-CD1 3.41Å; W78-Y112 AromaticContact CD1-CE1 3.52Å; W78-Y112 HydrophobicContact CG-CD1 4.49Å; W78-Y112 HydrophobicContact CG-CE1 4.24Å; W78-Y112 AromaticContact NE1-CD1 3.87Å; W78-V137 HydrophobicContact CZ2-CG2 4.04Å; W78-K140 HydrophobicContact CH2-CB 3.61Å; W78-K140 HydrophobicContact CH2-CD 4.44Å; W78-K140 HydrophobicContact CZ2-CB 4.12Å; W78-K140 HydrophobicContact CZ2-CD 4.47Å; W78-K140 HydrophobicContact CZ3-CB 4.36Å; W78-I141 HydrophobicContact CB-CG1 4.23Å; W78-I141 HydrophobicContact CD2-CD1 4.22Å; W78-I141 HydrophobicContact CD2-CG1 3.41Å; W78-I141 VanDerWaalsContact CD2-CG1 3.41Å; W78-I141 HydrophobicContact CE3-CB 4.45Å; W78-I141 HydrophobicContact CE3-CG1 3.68Å; W78-I141 HydrophobicContact CG-CD1 4.01Å; W78-I141 HydrophobicContact CG-CG1 3.66Å; W78-I141 HydrophobicContact CZ2-CG1 4.36Å; W78-I141 HydrophobicContact CZ3-CG1 4.28Å; W78-L144 HydrophobicContact CH2-CD1 4.19Å; W78-L144 HydrophobicContact CZ3-CB 4.2Å; W78-L144 HydrophobicContact CZ3-CD1 4.18Å; W78-M145 HydrophobicContact CB-CE 3.94Å; W78-M145 HydrophobicContact CB-SD 3.74Å; W78-M145 HydrophobicContact CE3-CB 4.29Å; W78-M145 PolarHBondContact N-SD 2.98Å
79L98.7Very high98.1Very high2 Ų235.9 Ų35.91%0.0118%0.181CC..EExtended strand (participates in β ladder)trans-65.5141.9-179.8-84178000111.4F94 D95 F98 V105 F106 A107L79-F94 HydrophobicContact CD2-CB 4.04Å; L79-D95 HydrophobicContact CD1-CB 3.53Å; L79-F98 HydrophobicContact CD2-CD2 3.64Å; L79-F98 HydrophobicContact CD2-CE2 3.78Å; L79-V105 HydrophobicContact CD1-CG1 3.31Å; L79-V105 HydrophobicContact CG-CG1 3.72Å; L79-F106 PolarHBondContact N-O 2.84Å; L79-A107 HydrophobicContact CB-CB 4.06Å; L79-A107 HydrophobicContact CD1-CB 4.26Å
80S98.7Very high98.1Very high1 Ų135.9 Ų35.91%0.00718%0.18CC..  trans-68.4150.5173.1-65.20000112.4N68 A69 G70 Y112 G114N68-S80 WeakPolarHBondContact O-CB 3.44Å; N68-S80 PolarHBondContact O-OG 2.76Å; A69-S80 VanDerWaalsContact C-OG 3.3Å; A69-S80 PolarHBondContact O-N 3.42Å; A69-S80 PolarHBondContact O-OG 2.75Å; G70-S80 PolarHBondContact N-OG 3.47Å; S80-Y112 CarbonylContact C-O 3.53Å; S80-Y112 VanDerWaalsContact CA-O 3.24Å; S80-Y112 WeakPolarHBondContact CA-O 3.32Å; S80-Y112 WeakPolarHBondContact CB-O 3.45Å; S80-G114 WeakPolarHBondContact OG-CA 3.48Å; S80-G114 PolarHBondContact OG-N 2.8Å; S80-G114 VanDerWaalsContact OG-N 3.14Å
81Q98.5Very high98.1Very high31 Ų3137.7 Ų37.715%0.14519%0.188CC..BIsolated β-bridgetrans-123.492166.5177.661.441.900106.4T110 I111 Y112Q81-T110 WeakPolarHBondContact CB-O 3.4Å; Q81-I111 HydrophobicContact CG-CD1 4.06Å; Q81-I111 WeakPolarHBondContact O-CA 3.37Å; Q81-Y112 CarbonylContact C-O 3.49Å; Q81-Y112 PolarHBondContact N-O 2.82Å; Q81-Y112 PolarHBondContact O-N 3.44Å
82F98.4Very high98Very high1 Ų144.7 Ų44.70%0.00421%0.214CC..  trans-59.1138.2-174.6-66.1-78.7000112.4N68 R87 Q88 E90 E113N68-F82 HydrophobicContact CB-CE1 3.72Å; N68-F82 HydrophobicContact CB-CZ 4.2Å; N68-F82 WeakPolarHBondContact O-CE1 3.49Å; N68-F82 WeakPolarHBondContact O-CZ 3.45Å; F82-R87 HydrophobicContact CB-CB 3.83Å; F82-R87 HydrophobicContact CD1-CB 3.9Å; F82-R87 HydrophobicContact CD2-CB 4.29Å; F82-R87 VanDerWaalsContact CD2-O 3.3Å; F82-R87 WeakPolarHBondContact CD2-O 3.09Å; F82-R87 HydrophobicContact CG-CB 3.74Å; F82-Q88 HydrophobicContact CB-CG 4.4Å; F82-Q88 WeakPolarHBondContact O-CG 3.5Å; F82-Q88 PolarHBondContact O-NE2 3.48Å; F82-E90 HydrophobicContact CD2-CB 4.41Å; F82-E90 HydrophobicContact CE2-CB 3.84Å; F82-E90 HydrophobicContact CZ-CB 4.48Å; F82-E113 HydrophobicContact CD1-CG 3.94Å; F82-E113 HydrophobicContact CE1-CG 4.48Å
83M97.9Very high98.1Very high77 Ų7747.1 Ų47.138%0.37922%0.223SC..SBendtrans-65.2-44.3178.4-179.6176-79.800111.5I111 E113 F131M83-I111 HydrophobicContact CB-CG2 3.76Å; M83-I111 HydrophobicContact CE-CG2 3.91Å; M83-I111 HydrophobicContact CG-CG2 4.34Å; M83-E113 PolarHBondContact N-OE1 2.99Å; M83-F131 WeakPolarHBondContact CE-O 3.33Å
84F98.1Very high98.1Very high57 Ų5745.6 Ų45.625%0.2522%0.217CC..SBendtrans-91.5133.9-170-71.4-85.7000112.6I18 E86 R87 Q88I18-F84 HydrophobicContact CB-CB 4.47Å; I18-F84 HydrophobicContact CB-CD1 3.82Å; I18-F84 HydrophobicContact CB-CD2 4.22Å; I18-F84 HydrophobicContact CB-CE1 4.07Å; I18-F84 HydrophobicContact CB-CE2 4.45Å; I18-F84 HydrophobicContact CB-CG 3.89Å; I18-F84 HydrophobicContact CB-CZ 4.36Å; I18-F84 HydrophobicContact CD1-CB 4.13Å; I18-F84 HydrophobicContact CD1-CD2 4.32Å; I18-F84 HydrophobicContact CD1-CG 4.21Å; I18-F84 HydrophobicContact CG2-CB 4.13Å; I18-F84 HydrophobicContact CG2-CD1 3.6Å; I18-F84 HydrophobicContact CG2-CE1 4.18Å; I18-F84 HydrophobicContact CG2-CG 3.87Å; F84-E86 PolarHBondContact O-N 3.42Å; F84-E86 VanDerWaalsContact O-N 3.15Å; F84-R87 PolarHBondContact O-N 2.56Å; F84-R87 VanDerWaalsContact O-N 3.07Å; F84-Q88 WeakPolarHBondContact O-CG 3.4Å; F84-Q88 PolarHBondContact O-N 3.03Å
85P98Very high98.3Very high91 Ų9142 Ų4259%0.59120%0.203SC*.Hα-helixtrans-52.1-35.9-180-28.435.8000114.6R87 Q88P85-R87 PolarHBondContact O-N 2.96Å; P85-Q88 PolarHBondContact O-N 3.14Å
86E97.8Very high98.4Very high75 Ų7543.3 Ų43.335%0.3521%0.21SC..Hα-helixtrans-58-30.9-179.2-64.586.5167.200112.7Y16 F84Y16-E86 HydrophobicContact CD1-CB 3.88Å; Y16-E86 HydrophobicContact CD1-CG 3.73Å; Y16-E86 HydrophobicContact CD2-CB 4.16Å; Y16-E86 HydrophobicContact CD2-CG 4.09Å; Y16-E86 HydrophobicContact CE1-CB 3.67Å; Y16-E86 HydrophobicContact CE1-CG 4.08Å; Y16-E86 HydrophobicContact CE2-CB 3.97Å; Y16-E86 HydrophobicContact CE2-CG 4.42Å; Y16-E86 HydrophobicContact CG-CB 4.11Å; Y16-E86 HydrophobicContact CG-CG 3.73Å; F84-E86 PolarHBondContact O-N 3.42Å; F84-E86 VanDerWaalsContact O-N 3.15Å
87R98.1Very high98.4Very high8 Ų842.3 Ų42.33%0.0321%0.206CC..Hα-helixtrans-102.5-13-178.4-61.5-161.465.6-1723.6114I18 D62 N68 F82 F84 P85 G89 E90I18-R87 HydrophobicContact CD1-CG 4.11Å; D62-R87 HydrophobicContact CB-CG 4.31Å; D62-R87 PolarHBondContact O-NH2 2.86Å; D62-R87 IonicContact OD2-NE 3.81Å; N68-R87 PolarHBondContact OD1-NH1 3Å; F82-R87 HydrophobicContact CB-CB 3.83Å; F82-R87 HydrophobicContact CD1-CB 3.9Å; F82-R87 HydrophobicContact CD2-CB 4.29Å; F82-R87 VanDerWaalsContact CD2-O 3.3Å; F82-R87 WeakPolarHBondContact CD2-O 3.09Å; F82-R87 HydrophobicContact CG-CB 3.74Å; F84-R87 PolarHBondContact O-N 2.56Å; F84-R87 VanDerWaalsContact O-N 3.07Å; P85-R87 PolarHBondContact O-N 2.96Å; R87-G89 PolarHBondContact O-N 3.01Å; R87-G89 VanDerWaalsContact O-N 3.14Å; R87-E90 WeakPolarHBondContact CA-OE1 3.18Å; R87-E90 VanDerWaalsContact CB-OE1 3.31Å; R87-E90 WeakPolarHBondContact CB-OE1 3.35Å; R87-E90 WeakPolarHBondContact CG-OE1 3.36Å; R87-E90 IonicContact CZ-OE1 2.78Å; R87-E90 IonicContact CZ-OE2 3.88Å; R87-E90 IonicContact NE-OE1 3.21Å; R87-E90 PolarHBondContact NE-OE1 3.46Å; R87-E90 IonicContact NE-OE2 2.68Å; R87-E90 IonicContact NH2-OE1 2.86Å; R87-E90 IonicContact NH2-OE2 3.15Å; R87-E90 PolarHBondContact NH2-OE2 3.28Å; R87-E90 VanDerWaalsContact O-CB 3.25Å; R87-E90 WeakPolarHBondContact O-CB 3.4Å; R87-E90 VanDerWaalsContact O-CG 3.25Å; R87-E90 WeakPolarHBondContact O-CG 3.29Å; R87-E90 PolarHBondContact O-N 2.75Å
88Q98.1Very high98.4Very high86 Ų8642.3 Ų42.340%0.40221%0.206SC..Hα-helixtrans-61-28.5-176.6-76173.86.300113.3F82 F84 P85 E90 K91F82-Q88 HydrophobicContact CB-CG 4.4Å; F82-Q88 WeakPolarHBondContact O-CG 3.5Å; F82-Q88 PolarHBondContact O-NE2 3.48Å; F84-Q88 WeakPolarHBondContact O-CG 3.4Å; F84-Q88 PolarHBondContact O-N 3.03Å; P85-Q88 PolarHBondContact O-N 3.14Å; Q88-E90 PolarHBondContact O-N 2.92Å; Q88-K91 PolarHBondContact O-N 3Å
89G97.9Very high98.4Very high27 Ų2748.7 Ų48.728%0.27823%0.23SC..THydrogen-bonded Turntrans-64.8-19.6175.500000114.5R87 K91 Y93R87-G89 PolarHBondContact O-N 3.01Å; R87-G89 VanDerWaalsContact O-N 3.14Å; G89-K91 VanDerWaalsContact C-N 3.35Å; G89-K91 PolarHBondContact O-N 3.14Å; G89-Y93 WeakPolarHBondContact O-CD2 3.32Å
90E98.6Very high98.4Very high0 Ų057.5 Ų57.50%027%0.269CS..THydrogen-bonded Turntrans-67.7-34.2-179.6-60.9177-144.900112.3L60 M63 F82 R87 Q88 R92 Y93 F94L60-E90 HydrophobicContact CB-CG 4.34Å; L60-E90 HydrophobicContact CD1-CG 4.29Å; L60-E90 HydrophobicContact CD2-CG 4.3Å; M63-E90 HydrophobicContact CG-CB 4.31Å; M63-E90 HydrophobicContact CG-CG 3.72Å; F82-E90 HydrophobicContact CD2-CB 4.41Å; F82-E90 HydrophobicContact CE2-CB 3.84Å; F82-E90 HydrophobicContact CZ-CB 4.48Å; R87-E90 WeakPolarHBondContact CA-OE1 3.18Å; R87-E90 VanDerWaalsContact CB-OE1 3.31Å; R87-E90 WeakPolarHBondContact CB-OE1 3.35Å; R87-E90 WeakPolarHBondContact CG-OE1 3.36Å; R87-E90 IonicContact CZ-OE1 2.78Å; R87-E90 IonicContact CZ-OE2 3.88Å; R87-E90 IonicContact NE-OE1 3.21Å; R87-E90 PolarHBondContact NE-OE1 3.46Å; R87-E90 IonicContact NE-OE2 2.68Å; R87-E90 IonicContact NH2-OE1 2.86Å; R87-E90 IonicContact NH2-OE2 3.15Å; R87-E90 PolarHBondContact NH2-OE2 3.28Å; R87-E90 VanDerWaalsContact O-CB 3.25Å; R87-E90 WeakPolarHBondContact O-CB 3.4Å; R87-E90 VanDerWaalsContact O-CG 3.25Å; R87-E90 WeakPolarHBondContact O-CG 3.29Å; R87-E90 PolarHBondContact O-N 2.75Å; Q88-E90 PolarHBondContact O-N 2.92Å; E90-R92 VanDerWaalsContact C-N 3.28Å; E90-R92 PolarHBondContact O-N 3.5Å; E90-R92 VanDerWaalsContact O-N 3.13Å; E90-Y93 PolarHBondContact O-N 2.86Å; E90-F94 HydrophobicContact CB-CD2 4.01Å; E90-F94 HydrophobicContact CB-CE2 3.84Å; E90-F94 PolarHBondContact O-N 3.06Å
91K98.4Very high98.4Very high38 Ų3860.1 Ų60.117%0.16528%0.283CS..Hα-helixtrans-51.7-43.6-171.6-174.7177.7-171.9177.80112.8Q88 G89 Y93 F94 D95 D108Q88-K91 PolarHBondContact O-N 3Å; G89-K91 VanDerWaalsContact C-N 3.35Å; G89-K91 PolarHBondContact O-N 3.14Å; K91-Y93 VanDerWaalsContact C-N 3.33Å; K91-Y93 PolarHBondContact O-N 3.24Å; K91-F94 PolarHBondContact O-N 3.17Å; K91-D95 WeakPolarHBondContact O-CB 3.39Å; K91-D95 PolarHBondContact O-N 3.09Å; K91-D108 PolarHBondContact NZ-O 3.14Å
92R98.2Very high98.3Very high151 Ų15161.3 Ų61.357%0.5730%0.303SS*.Hα-helixtrans-62.6-38.5-178.374-176.2179-156.5-3.6112.7E90 D96E90-R92 VanDerWaalsContact C-N 3.28Å; E90-R92 PolarHBondContact O-N 3.5Å; E90-R92 VanDerWaalsContact O-N 3.13Å; R92-D96 VanDerWaalsContact O-CG 3.3Å; R92-D96 PolarHBondContact O-N 2.95Å
93Y98.8Very high98.3Very high70 Ų7062.4 Ų62.428%0.27531%0.308SS..Hα-helixtrans-75-38.4-177-66.1-76.9000111.4V57 L60 M63 G89 E90 K91 W97V57-Y93 HydrophobicContact CB-CE2 4.24Å; V57-Y93 HydrophobicContact CG1-CE1 4.31Å; V57-Y93 HydrophobicContact CG1-CE2 3.78Å; V57-Y93 WeakPolarHBondContact CG1-OH 3.4Å; V57-Y93 HydrophobicContact CG2-CD1 3.7Å; V57-Y93 HydrophobicContact CG2-CD2 3.97Å; V57-Y93 HydrophobicContact CG2-CE1 3.59Å; V57-Y93 HydrophobicContact CG2-CE2 3.87Å; V57-Y93 HydrophobicContact CG2-CG 3.87Å; L60-Y93 HydrophobicContact CD1-CD2 3.68Å; L60-Y93 HydrophobicContact CD1-CE2 3.54Å; M63-Y93 HydrophobicContact CE-CG 4.35Å; M63-Y93 HydrophobicContact SD-CD2 4.37Å; G89-Y93 WeakPolarHBondContact O-CD2 3.32Å; E90-Y93 PolarHBondContact O-N 2.86Å; K91-Y93 VanDerWaalsContact C-N 3.33Å; K91-Y93 PolarHBondContact O-N 3.24Å; Y93-W97 WeakPolarHBondContact O-CB 3.3Å; Y93-W97 PolarHBondContact O-N 3.27Å
94F98.8Very high98.3Very high0 Ų062.7 Ų62.70%031%0.311CS..Hα-helixtrans-65.9-43.4172.5-71.5-55.4000111.7I54 T66 A69 L79 E90 K91 D96 W97 F98I54-F94 HydrophobicContact CD1-CD1 3.7Å; I54-F94 HydrophobicContact CD1-CE1 3.93Å; I54-F94 HydrophobicContact CG2-CE1 4.23Å; T66-F94 HydrophobicContact CG2-CE1 4.22Å; T66-F94 HydrophobicContact CG2-CZ 4.46Å; A69-F94 HydrophobicContact CB-CB 4.16Å; A69-F94 HydrophobicContact CB-CD1 3.42Å; A69-F94 VanDerWaalsContact CB-CD1 3.42Å; A69-F94 HydrophobicContact CB-CD2 3.64Å; A69-F94 HydrophobicContact CB-CE1 3.57Å; A69-F94 HydrophobicContact CB-CE2 3.77Å; A69-F94 HydrophobicContact CB-CG 3.47Å; A69-F94 VanDerWaalsContact CB-CG 3.47Å; A69-F94 HydrophobicContact CB-CZ 3.75Å; L79-F94 HydrophobicContact CD2-CB 4.04Å; E90-F94 HydrophobicContact CB-CD2 4.01Å; E90-F94 HydrophobicContact CB-CE2 3.84Å; E90-F94 PolarHBondContact O-N 3.06Å; K91-F94 PolarHBondContact O-N 3.17Å; F94-D96 PolarHBondContact O-N 3.3Å; F94-W97 PolarHBondContact O-N 3.16Å; F94-F98 HydrophobicContact CB-CD2 4.28Å; F94-F98 HydrophobicContact CB-CE2 4.02Å; F94-F98 WeakPolarHBondContact O-CD2 3.44Å; F94-F98 WeakPolarHBondContact O-CG 3.24Å; F94-F98 PolarHBondContact O-N 2.74Å
95D98.7Very high98.4Very high36 Ų3661.2 Ų61.219%0.19331%0.306CS..Hα-helixtrans-54.3-54.9174.6-167.7-3.1000111.5L79 K91 W97 F98 R99L79-D95 HydrophobicContact CD1-CB 3.53Å; K91-D95 WeakPolarHBondContact O-CB 3.39Å; K91-D95 PolarHBondContact O-N 3.09Å; D95-W97 VanDerWaalsContact C-N 3.3Å; D95-W97 PolarHBondContact O-N 3.05Å; D95-F98 PolarHBondContact O-N 3.47Å; D95-R99 WeakPolarHBondContact O-CG 3.46Å; D95-R99 PolarHBondContact O-N 2.75Å; D95-R99 WeakPolarHBondContact OD1-CD 3.31Å; D95-R99 IonicContact OD1-CZ 3.74Å; D95-R99 IonicContact OD1-NE 3.75Å; D95-R99 PolarHBondContact OD1-NE 3.17Å; D95-R99 IonicContact OD1-NH2 2.8Å; D95-R99 PolarHBondContact OD1-NH2 2.88Å; D95-R99 IonicContact OD2-NE 3.37Å; D95-R99 IonicContact OD2-NH2 3.73Å
96D98.6Very high98.4Very high104 Ų10459.5 Ų59.556%0.55629%0.29SS*.Hα-helixtrans-56.9-43.6178.3-73.7-16.4000112.1R92 F94 K100R92-D96 VanDerWaalsContact O-CG 3.3Å; R92-D96 PolarHBondContact O-N 2.95Å; F94-D96 PolarHBondContact O-N 3.3Å; D96-K100 WeakPolarHBondContact O-CB 3.29Å; D96-K100 PolarHBondContact O-N 3.4Å
97W98.8Very high98.3Very high28 Ų2858.3 Ų58.311%0.10629%0.293CS..Hα-helixtrans-63.8-46.6179.6-172.598000111.8L5 K52 S53 I54 Y93 F94 D95 K100 N101 F103 L262L5-W97 HydrophobicContact CD1-CD2 4.25Å; L5-W97 HydrophobicContact CD1-CH2 4.02Å; L5-W97 HydrophobicContact CD1-CZ2 3.55Å; L5-W97 HydrophobicContact CD1-CZ3 4.49Å; L5-W97 HydrophobicContact CD2-CD2 4.21Å; L5-W97 HydrophobicContact CD2-CE3 3.93Å; L5-W97 HydrophobicContact CD2-CH2 4.29Å; L5-W97 HydrophobicContact CD2-CZ2 4.49Å; L5-W97 HydrophobicContact CD2-CZ3 3.99Å; L5-W97 HydrophobicContact CG-CZ2 4.5Å; K52-W97 HydrophobicContact CB-CZ2 4.11Å; K52-W97 HydrophobicContact CD-CH2 4.2Å; K52-W97 HydrophobicContact CD-CZ2 4.07Å; S53-W97 PolarHBondContact O-NE1 3.38Å; S53-W97 VanDerWaalsContact O-NE1 3.11Å; I54-W97 HydrophobicContact CB-CG 4.2Å; I54-W97 HydrophobicContact CD1-CB 3.72Å; I54-W97 HydrophobicContact CD1-CG 3.97Å; I54-W97 HydrophobicContact CG1-CB 4.26Å; I54-W97 HydrophobicContact CG1-CG 4.09Å; Y93-W97 WeakPolarHBondContact O-CB 3.3Å; Y93-W97 PolarHBondContact O-N 3.27Å; F94-W97 PolarHBondContact O-N 3.16Å; D95-W97 VanDerWaalsContact C-N 3.3Å; D95-W97 PolarHBondContact O-N 3.05Å; W97-K100 PolarHBondContact O-N 3.36Å; W97-N101 VanDerWaalsContact CE2-ND2 3.33Å; W97-N101 HydrophobicContact CE3-CB 4.38Å; W97-N101 HydrophobicContact CH2-CB 4.09Å; W97-N101 HydrophobicContact CZ2-CB 4.49Å; W97-N101 HydrophobicContact CZ3-CB 4.06Å; W97-N101 WeakPolarHBondContact O-CB 3.43Å; W97-N101 PolarHBondContact O-N 2.95Å; W97-N101 PolarHBondContact O-ND2 2.75Å; W97-F103 HydrophobicContact CZ3-CE2 4.18Å; W97-L262 HydrophobicContact CH2-CD1 3.56Å; W97-L262 HydrophobicContact CH2-CD2 4.38Å; W97-L262 HydrophobicContact CZ3-CD1 4.18Å; W97-L262 HydrophobicContact CZ3-CD2 4.21Å
98F98.8Very high98.1Very high0 Ų059.6 Ų59.60%030%0.3CS..Hα-helixtrans-64.7-46.8-179.4-75.7-57.8000111.6L5 A69 I72 V77 L79 F94 D95 K100 N101 G102 F103 V105 L260 L262L5-F98 HydrophobicContact CD2-CE1 4.4Å; L5-F98 HydrophobicContact CD2-CZ 4.29Å; A69-F98 HydrophobicContact CB-CE2 4.11Å; A69-F98 HydrophobicContact CB-CZ 4.23Å; I72-F98 HydrophobicContact CD1-CD1 4.44Å; I72-F98 HydrophobicContact CD1-CE1 3.77Å; I72-F98 HydrophobicContact CD1-CZ 4.22Å; V77-F98 HydrophobicContact CB-CD1 4.43Å; V77-F98 HydrophobicContact CB-CG 4.42Å; V77-F98 HydrophobicContact CG1-CB 3.94Å; V77-F98 HydrophobicContact CG1-CD1 4.21Å; V77-F98 HydrophobicContact CG1-CD2 4.01Å; V77-F98 HydrophobicContact CG1-CG 3.81Å; V77-F98 HydrophobicContact CG2-CD1 4.46Å; V77-F98 HydrophobicContact CG2-CD2 4.06Å; V77-F98 HydrophobicContact CG2-CE1 4.29Å; V77-F98 HydrophobicContact CG2-CE2 3.86Å; V77-F98 HydrophobicContact CG2-CG 4.38Å; V77-F98 HydrophobicContact CG2-CZ 4Å; L79-F98 HydrophobicContact CD2-CD2 3.64Å; L79-F98 HydrophobicContact CD2-CE2 3.78Å; F94-F98 HydrophobicContact CB-CD2 4.28Å; F94-F98 HydrophobicContact CB-CE2 4.02Å; F94-F98 WeakPolarHBondContact O-CD2 3.44Å; F94-F98 WeakPolarHBondContact O-CG 3.24Å; F94-F98 PolarHBondContact O-N 2.74Å; D95-F98 PolarHBondContact O-N 3.47Å; F98-K100 PolarHBondContact O-N 2.93Å; F98-N101 CarbonylContact O-C 3.52Å; F98-N101 PolarHBondContact O-N 2.89Å; F98-N101 VanDerWaalsContact O-N 3.09Å; F98-G102 PolarHBondContact O-N 3.45Å; F98-F103 HydrophobicContact CB-CB 3.97Å; F98-F103 HydrophobicContact CB-CD2 4.44Å; F98-F103 HydrophobicContact CB-CG 4.38Å; F98-F103 HydrophobicContact CD1-CB 4.42Å; F98-F103 HydrophobicContact CD1-CD1 4.42Å; F98-F103 AromaticContact CD1-CD2 3.84Å; F98-F103 HydrophobicContact CD1-CD2 3.84Å; F98-F103 HydrophobicContact CD1-CE2 4.19Å; F98-F103 AromaticContact CD1-CG 3.97Å; F98-F103 HydrophobicContact CD1-CG 3.97Å; F98-F103 WeakPolarHBondContact O-CB 3.19Å; F98-F103 PolarHBondContact O-N 2.87Å; F98-V105 HydrophobicContact CB-CG2 3.86Å; F98-L260 HydrophobicContact CE1-CD2 4.05Å; F98-L260 HydrophobicContact CZ-CD2 3.53Å; F98-L262 HydrophobicContact CE1-CD2 4.03Å
99R98.6Very high98Very high139 Ų13962.2 Ų62.253%0.52532%0.317SS..Hα-helixtrans-59.7-45.6176.7-67.8-174.6-171.3-77.8-8.8111.8D95 N101 G102 V105D95-R99 WeakPolarHBondContact O-CG 3.46Å; D95-R99 PolarHBondContact O-N 2.75Å; D95-R99 WeakPolarHBondContact OD1-CD 3.31Å; D95-R99 IonicContact OD1-CZ 3.74Å; D95-R99 IonicContact OD1-NE 3.75Å; D95-R99 PolarHBondContact OD1-NE 3.17Å; D95-R99 IonicContact OD1-NH2 2.8Å; D95-R99 PolarHBondContact OD1-NH2 2.88Å; D95-R99 IonicContact OD2-NE 3.37Å; D95-R99 IonicContact OD2-NH2 3.73Å; R99-N101 PolarHBondContact O-N 3.34Å; R99-G102 PolarHBondContact O-N 2.83Å; R99-G102 VanDerWaalsContact O-N 3.11Å; R99-V105 HydrophobicContact CG-CB 4.46Å; R99-V105 HydrophobicContact CG-CG2 3.69Å
100K98.4Very high98Very high188 Ų18862 Ų6282%0.81731%0.31SS*.Hα-helixtrans-62.9-26.3177.5-176175.5177.2-178.30112.9D96 W97 F98D96-K100 WeakPolarHBondContact O-CB 3.29Å; D96-K100 PolarHBondContact O-N 3.4Å; W97-K100 PolarHBondContact O-N 3.36Å; F98-K100 PolarHBondContact O-N 2.93Å
101N98.3Very high98Very high56 Ų5664.2 Ų64.230%0.29932%0.322SS..THydrogen-bonded Turntrans-9713.4178-77-92.3000113.6K52 W97 F98 R99 F103K52-N101 PolarHBondContact NZ-OD1 3.26Å; W97-N101 VanDerWaalsContact CE2-ND2 3.33Å; W97-N101 HydrophobicContact CE3-CB 4.38Å; W97-N101 HydrophobicContact CH2-CB 4.09Å; W97-N101 HydrophobicContact CZ2-CB 4.49Å; W97-N101 HydrophobicContact CZ3-CB 4.06Å; W97-N101 WeakPolarHBondContact O-CB 3.43Å; W97-N101 PolarHBondContact O-N 2.95Å; W97-N101 PolarHBondContact O-ND2 2.75Å; F98-N101 CarbonylContact O-C 3.52Å; F98-N101 PolarHBondContact O-N 2.89Å; F98-N101 VanDerWaalsContact O-N 3.09Å; R99-N101 PolarHBondContact O-N 3.34Å; N101-F103 HydrophobicContact CB-CD2 4.2Å; N101-F103 HydrophobicContact CB-CE2 4.3Å
102G97.8Very high98.1Very high55 Ų5562.4 Ų62.457%0.56731%0.314SS*.THydrogen-bonded Turntrans82.421170.500000115.4F98 R99F98-G102 PolarHBondContact O-N 3.45Å; R99-G102 PolarHBondContact O-N 2.83Å; R99-G102 VanDerWaalsContact O-N 3.11Å
103F98.6Very high98.1Very high25 Ų2555.2 Ų55.211%0.1129%0.287CS..  trans-85.7141.3174.7-74.1-96.5000112.2I72 N75 V77 W97 F98 N101 V105 L262I72-F103 HydrophobicContact CD1-CD1 4.28Å; I72-F103 HydrophobicContact CD1-CE1 3.94Å; I72-F103 HydrophobicContact CG2-CE1 4.01Å; N75-F103 CarbonylContact O-C 3.43Å; N75-F103 VanDerWaalsContact O-CA 3.25Å; N75-F103 WeakPolarHBondContact O-CA 3.34Å; N75-F103 WeakPolarHBondContact O-CD1 3.25Å; V77-F103 HydrophobicContact CB-CD1 4.42Å; V77-F103 HydrophobicContact CG1-CB 4.05Å; W97-F103 HydrophobicContact CZ3-CE2 4.18Å; F98-F103 HydrophobicContact CB-CB 3.97Å; F98-F103 HydrophobicContact CB-CD2 4.44Å; F98-F103 HydrophobicContact CB-CG 4.38Å; F98-F103 HydrophobicContact CD1-CB 4.42Å; F98-F103 HydrophobicContact CD1-CD1 4.42Å; F98-F103 AromaticContact CD1-CD2 3.84Å; F98-F103 HydrophobicContact CD1-CD2 3.84Å; F98-F103 HydrophobicContact CD1-CE2 4.19Å; F98-F103 AromaticContact CD1-CG 3.97Å; F98-F103 HydrophobicContact CD1-CG 3.97Å; F98-F103 WeakPolarHBondContact O-CB 3.19Å; F98-F103 PolarHBondContact O-N 2.87Å; N101-F103 HydrophobicContact CB-CD2 4.2Å; N101-F103 HydrophobicContact CB-CE2 4.3Å; F103-V105 PolarHBondContact O-N 3.19Å; F103-L262 HydrophobicContact CE2-CD2 4.5Å; F103-L262 HydrophobicContact CZ-CB 4.13Å; F103-L262 HydrophobicContact CZ-CD2 4.01Å; F103-L262 HydrophobicContact CZ-CG 4.5Å
104D98.1Very high98Very high83 Ų8351.9 Ų51.944%0.44427%0.274SS..EExtended strand (participates in β ladder)trans-78.3109165.2-64.8-41.7000108.7N75 R76 V77 F106N75-D104 PolarHBondContact ND2-OD2 2.83Å; N75-D104 PolarHBondContact O-N 2.89Å; R76-D104 WeakPolarHBondContact CA-O 3.2Å; R76-D104 HydrophobicContact CG-CB 4.16Å; V77-D104 PolarHBondContact N-O 3.49Å; D104-F106 HydrophobicContact CB-CE2 4.24Å
105V98.5Very high98Very high25 Ų2552.2 Ų52.215%0.15228%0.276CS..EExtended strand (participates in β ladder)trans-91.5120.4-173.7176.10000111.5V77 L79 F98 R99 F103V77-V105 HydrophobicContact CG1-CB 4.19Å; V77-V105 HydrophobicContact CG1-CG1 4.4Å; V77-V105 HydrophobicContact CG1-CG2 3.69Å; L79-V105 HydrophobicContact CD1-CG1 3.31Å; L79-V105 HydrophobicContact CG-CG1 3.72Å; F98-V105 HydrophobicContact CB-CG2 3.86Å; R99-V105 HydrophobicContact CG-CB 4.46Å; R99-V105 HydrophobicContact CG-CG2 3.69Å; F103-V105 PolarHBondContact O-N 3.19Å
106F98.3Very high98Very high56 Ų5650.5 Ų50.525%0.24627%0.267CS..EExtended strand (participates in β ladder)trans-103131.7168.2-62.8-102.4000108.8R76 V77 W78 L79 D104 L144 M145R76-F106 HydrophobicContact CB-CD2 4.3Å; R76-F106 HydrophobicContact CB-CE2 3.91Å; R76-F106 HydrophobicContact CG-CE2 4.03Å; V77-F106 PolarHBondContact O-N 3.45Å; W78-F106 CarbonylContact C-O 3.57Å; W78-F106 WeakPolarHBondContact CA-O 3.38Å; W78-F106 HydrophobicContact CD2-CB 4.18Å; W78-F106 HydrophobicContact CE3-CB 3.57Å; W78-F106 HydrophobicContact CE3-CG 4.3Å; W78-F106 HydrophobicContact CZ3-CB 4.01Å; W78-F106 HydrophobicContact CZ3-CD1 4.47Å; L79-F106 PolarHBondContact N-O 2.84Å; D104-F106 HydrophobicContact CB-CE2 4.24Å; F106-L144 HydrophobicContact CD1-CB 4.32Å; F106-L144 HydrophobicContact CE1-CB 4.34Å; F106-L144 VanDerWaalsContact CE1-O 3.23Å; F106-L144 WeakPolarHBondContact CE1-O 3.31Å; F106-M145 HydrophobicContact CD2-CB 4.4Å; F106-M145 HydrophobicContact CD2-CG 4.13Å; F106-M145 HydrophobicContact CD2-SD 4.45Å; F106-M145 HydrophobicContact CE2-CG 4.25Å; F106-M145 HydrophobicContact CG-CB 4.47Å
107A96.2Very high98Very high50 Ų5045.6 Ų45.641%0.41324%0.24SC..  trans-150.7143.8177.700000110.2L79L79-A107 HydrophobicContact CB-CB 4.06Å; L79-A107 HydrophobicContact CD1-CB 4.26Å
108D94.2Very high98Very high35 Ų3544.3 Ų44.319%0.18724%0.236CC..  trans-140.6-162.916474.410000110.4K91 T110 K140K91-D108 PolarHBondContact NZ-O 3.14Å; D108-T110 WeakPolarHBondContact OD1-CB 3.38Å; D108-T110 PolarHBondContact OD1-N 2.8Å; D108-K140 WeakPolarHBondContact OD2-CD 3.34Å; D108-K140 IonicContact OD2-NZ 3.97Å; D108-K140 PolarHBondContact OD2-NZ 2.88Å
109N96.6Very high98Very high141 Ų14144.9 Ų44.975%0.75424%0.239SC*.SBendtrans-104.59.7-178.6-63.3-26.5000113.1
110T97.9Very high97.9Very high22 Ų2241.4 Ų41.414%0.13523%0.228CC..SBendtrans-77.6128.2175.1-67.90000109.4Q81 D108 Y112 D134 I136 V137 K140Q81-T110 WeakPolarHBondContact CB-O 3.4Å; D108-T110 WeakPolarHBondContact OD1-CB 3.38Å; D108-T110 PolarHBondContact OD1-N 2.8Å; T110-Y112 PolarHBondContact O-N 2.94Å; T110-D134 HydrophobicContact CG2-CB 3.97Å; T110-I136 HydrophobicContact CG2-CG2 3.57Å; T110-V137 HydrophobicContact CG2-CB 3.75Å; T110-V137 HydrophobicContact CG2-CG2 4.19Å; T110-K140 PolarHBondContact OG1-NZ 2.8Å
111I98.5Very high97.9Very high47 Ų4732.8 Ų32.824%0.24119%0.191CC..  trans-57123.6179.9-61.3-52.2000110.6Q81 M83 R132 D134Q81-I111 HydrophobicContact CG-CD1 4.06Å; Q81-I111 WeakPolarHBondContact O-CA 3.37Å; M83-I111 HydrophobicContact CB-CG2 3.76Å; M83-I111 HydrophobicContact CE-CG2 3.91Å; M83-I111 HydrophobicContact CG-CG2 4.34Å; I111-R132 VanDerWaalsContact CG2-O 3.27Å; I111-R132 WeakPolarHBondContact CG2-O 3.31Å; I111-D134 PolarHBondContact O-N 2.96Å
112Y98.6Very high97.7Very high0 Ų032 Ų320%020%0.196CC..BIsolated β-bridgetrans-163.9131.6-174.7176.4-120.4000110.7L71 W78 S80 Q81 T110 G114 S118 S133 V137 Y138 I141L71-Y112 HydrophobicContact CB-CE1 4.34Å; L71-Y112 WeakPolarHBondContact CB-OH 3.23Å; W78-Y112 HydrophobicContact CB-CE1 4.46Å; W78-Y112 AromaticContact CD1-CD1 3.41Å; W78-Y112 VanDerWaalsContact CD1-CD1 3.41Å; W78-Y112 AromaticContact CD1-CE1 3.52Å; W78-Y112 HydrophobicContact CG-CD1 4.49Å; W78-Y112 HydrophobicContact CG-CE1 4.24Å; W78-Y112 AromaticContact NE1-CD1 3.87Å; S80-Y112 CarbonylContact C-O 3.53Å; S80-Y112 VanDerWaalsContact CA-O 3.24Å; S80-Y112 WeakPolarHBondContact CA-O 3.32Å; S80-Y112 WeakPolarHBondContact CB-O 3.45Å; Q81-Y112 CarbonylContact C-O 3.49Å; Q81-Y112 PolarHBondContact N-O 2.82Å; Q81-Y112 PolarHBondContact O-N 3.44Å; T110-Y112 PolarHBondContact O-N 2.94Å; Y112-G114 VanDerWaalsContact CZ-CA 3.5Å; Y112-G114 PolarHBondContact OH-O 3.01Å; Y112-S118 VanDerWaalsContact CE2-OG 3.32Å; Y112-S118 WeakPolarHBondContact CE2-OG 3.37Å; Y112-S118 WeakPolarHBondContact OH-CB 3.47Å; Y112-S118 PolarHBondContact OH-OG 3Å; Y112-S133 WeakPolarHBondContact CA-OG 3.38Å; Y112-S133 WeakPolarHBondContact CD2-OG 3.3Å; Y112-V137 HydrophobicContact CD1-CG2 4.42Å; Y112-V137 HydrophobicContact CD2-CG1 3.59Å; Y112-V137 HydrophobicContact CD2-CG2 4.41Å; Y112-V137 HydrophobicContact CE2-CG1 4.15Å; Y112-V137 HydrophobicContact CG-CG1 4.02Å; Y112-V137 HydrophobicContact CG-CG2 4.01Å; Y112-Y138 AromaticContact CE2-CE1 3.92Å; Y112-Y138 HydrophobicContact CE2-CE1 3.92Å; Y112-I141 HydrophobicContact CD1-CD1 4.48Å; Y112-I141 HydrophobicContact CE1-CD1 3.91Å; Y112-I141 HydrophobicContact CE2-CD1 4.14Å
113E98.5Very high97.5Very high0 Ų034.1 Ų34.10%019%0.194CC..  trans-115.535.9-177-66.7-167.4-16600113.2N68 F82 M83 G116 R132 S133 H164N68-E113 WeakPolarHBondContact CA-O 3.07Å; F82-E113 HydrophobicContact CD1-CG 3.94Å; F82-E113 HydrophobicContact CE1-CG 4.48Å; M83-E113 PolarHBondContact N-OE1 2.99Å; E113-G116 PolarHBondContact O-N 3.11Å; E113-R132 HydrophobicContact CB-CB 4.27Å; E113-R132 HydrophobicContact CG-CB 4.13Å; E113-R132 IonicContact OE1-NH1 3.4Å; E113-R132 PolarHBondContact OE1-NH1 3.06Å; E113-R132 VanDerWaalsContact OE1-NH1 3.13Å; E113-R132 IonicContact OE2-NH1 3.42Å; E113-R132 PolarHBondContact OE2-NH1 3.17Å; E113-R132 VanDerWaalsContact OE2-NH1 3.08Å; E113-S133 PolarHBondContact N-OG 2.81Å; E113-H164 WeakPolarHBondContact CB-NE2 3.4Å; E113-H164 IonicContact OE2-CE1 2.95Å; E113-H164 PolarHBondContact OE2-CE1 3.22Å; E113-H164 IonicContact OE2-NE2 2.68Å; E113-H164 PolarHBondContact OE2-NE2 2.92Å
114G98.3Very high97.5Very high0 Ų033.3 Ų33.30%019%0.191CC..G310 helixtrans63.3-138.4160.900000114.1S80 Y112 G116 D117 S118S80-G114 WeakPolarHBondContact OG-CA 3.48Å; S80-G114 PolarHBondContact OG-N 2.8Å; S80-G114 VanDerWaalsContact OG-N 3.14Å; Y112-G114 VanDerWaalsContact CZ-CA 3.5Å; Y112-G114 PolarHBondContact OH-O 3.01Å; G114-G116 PolarHBondContact O-N 3.2Å; G114-G116 VanDerWaalsContact O-N 3.14Å; G114-D117 CarbonylContact O-C 3.57Å; G114-D117 PolarHBondContact O-N 2.9Å; G114-S118 VanDerWaalsContact O-CB 3.29Å; G114-S118 WeakPolarHBondContact O-CB 3.43Å; G114-S118 PolarHBondContact O-N 3.38Å
115A98.1Very high97.5Very high6 Ų629.3 Ų29.35%0.0517%0.169CC..G310 helixtrans-71.3-1.3-179.400000114.5A67 G70 S118 L260A67-A115 HydrophobicContact CB-CB 4.46Å; A67-A115 WeakPolarHBondContact O-CA 3.47Å; A67-A115 VanDerWaalsContact O-CB 3.23Å; A67-A115 WeakPolarHBondContact O-CB 3.41Å; A67-A115 PolarHBondContact O-N 2.88Å; G70-A115 PolarHBondContact O-N 3.32Å; G70-A115 VanDerWaalsContact O-N 3.09Å; A115-S118 WeakPolarHBondContact CA-O 3.26Å; A115-L260 HydrophobicContact CB-CD1 3.83Å
116G98.2Very high97.4Very high0 Ų028.1 Ų28.10%016%0.162CC..G310 helixtrans-69.1-39.2163.600000111.5E113 G114 H164 L165 D166E113-G116 PolarHBondContact O-N 3.11Å; G114-G116 PolarHBondContact O-N 3.2Å; G114-G116 VanDerWaalsContact O-N 3.14Å; G116-H164 WeakPolarHBondContact O-CB 3.48Å; G116-L165 PolarHBondContact O-N 3.13Å; G116-D166 PolarHBondContact O-N 3.36Å
117D98.6Very high97.4Very high1 Ų125.5 Ų25.51%0.00515%0.151CC..THydrogen-bonded Turntrans-108.34.3-178.7-81.7-37.1000113.6G114 G127 S128 R132 S133 Y138 H164 L165G114-D117 CarbonylContact O-C 3.57Å; G114-D117 PolarHBondContact O-N 2.9Å; D117-G127 CarbonylContact O-C 3.53Å; D117-G127 VanDerWaalsContact O-CA 3.32Å; D117-G127 WeakPolarHBondContact O-CA 3.36Å; D117-S128 WeakPolarHBondContact CA-OG 3.49Å; D117-S128 WeakPolarHBondContact CB-OG 3.49Å; D117-S128 PolarHBondContact O-N 3.33Å; D117-S128 PolarHBondContact O-OG 3Å; D117-S128 PolarHBondContact OD1-OG 2.88Å; D117-R132 WeakPolarHBondContact OD2-CB 3.46Å; D117-S133 WeakPolarHBondContact CB-OG 3.28Å; D117-S133 WeakPolarHBondContact OD2-CB 3.5Å; D117-S133 PolarHBondContact OD2-N 3.15Å; D117-S133 PolarHBondContact OD2-OG 3.25Å; D117-Y138 PolarHBondContact O-OH 3.37Å; D117-Y138 VanDerWaalsContact O-OH 3.09Å; D117-H164 VanDerWaalsContact CG-CD2 3.49Å; D117-H164 WeakPolarHBondContact OD1-CA 3.32Å; D117-H164 IonicContact OD1-CD2 3.61Å; D117-H164 PolarHBondContact OD1-CD2 2.98Å; D117-H164 IonicContact OD2-CD2 3.63Å; D117-H164 PolarHBondContact OD2-CD2 3.5Å; D117-H164 IonicContact OD2-NE2 2.65Å; D117-L165 PolarHBondContact OD1-N 3.03Å
118S98.6Very high97.5Very high2 Ų223.1 Ų23.11%0.01413%0.131CC..EExtended strand (participates in β ladder)trans-141115.6-174-68.20000113Y112 G114 A115 I126 Y138Y112-S118 VanDerWaalsContact CE2-OG 3.32Å; Y112-S118 WeakPolarHBondContact CE2-OG 3.37Å; Y112-S118 WeakPolarHBondContact OH-CB 3.47Å; Y112-S118 PolarHBondContact OH-OG 3Å; G114-S118 VanDerWaalsContact O-CB 3.29Å; G114-S118 WeakPolarHBondContact O-CB 3.43Å; G114-S118 PolarHBondContact O-N 3.38Å; A115-S118 WeakPolarHBondContact CA-O 3.26Å; S118-I126 WeakPolarHBondContact CA-O 3.26Å; S118-Y138 WeakPolarHBondContact OG-CE1 3.46Å
119L98.4Very high97.6Very high12 Ų1223.6 Ų23.66%0.06313%0.132CC..EExtended strand (participates in β ladder)trans-132.4137.9-178.8-61.7174.9000110.8I126 L165 D166 F169 P171L119-I126 PolarHBondContact N-O 3.37Å; L119-I126 PolarHBondContact O-N 2.84Å; L119-L165 HydrophobicContact CB-CD2 4.18Å; L119-L165 HydrophobicContact CD1-CD2 4.17Å; L119-L165 HydrophobicContact CD1-CG 4.07Å; L119-L165 HydrophobicContact CG-CD2 4.13Å; L119-L165 HydrophobicContact CG-CG 4.5Å; L119-D166 HydrophobicContact CD1-CB 4.25Å; L119-F169 HydrophobicContact CD1-CD1 4.19Å; L119-F169 WeakPolarHBondContact CD1-O 3.34Å; L119-P171 HydrophobicContact CB-CG 4.14Å
120F97.8Very high97.4Very high66 Ų6619.6 Ų19.629%0.28912%0.124SC..EExtended strand (participates in β ladder)trans-84.7130.3174.8-69.9-83.2000111.3L71 I72 Y73 L124 L125 L146 V150 P171L71-F120 HydrophobicContact CD1-CD2 4.33Å; L71-F120 HydrophobicContact CD1-CE2 3.61Å; L71-F120 HydrophobicContact CD1-CZ 4.24Å; L71-F120 HydrophobicContact CG-CE2 4.36Å; I72-F120 WeakPolarHBondContact O-CE2 3.27Å; Y73-F120 HydrophobicContact CD2-CE1 4.21Å; Y73-F120 AromaticContact CD2-CZ 3.9Å; Y73-F120 HydrophobicContact CD2-CZ 3.9Å; F120-L124 CarbonylContact C-O 3.57Å; F120-L124 WeakPolarHBondContact CA-O 3.39Å; F120-L125 HydrophobicContact CD1-CB 4.31Å; F120-L125 HydrophobicContact CD1-CD1 4.13Å; F120-L125 HydrophobicContact CD2-CD1 4.35Å; F120-L125 HydrophobicContact CE1-CB 4.15Å; F120-L125 HydrophobicContact CE1-CD1 3.97Å; F120-L125 HydrophobicContact CE2-CD1 4.18Å; F120-L125 HydrophobicContact CG-CD1 4.32Å; F120-L125 HydrophobicContact CZ-CD1 3.99Å; F120-L146 HydrophobicContact CZ-CD2 4.3Å; F120-V150 HydrophobicContact CD1-CG1 4.4Å; F120-V150 HydrophobicContact CE1-CG1 4.01Å; F120-V150 HydrophobicContact CE1-CG2 4.43Å; F120-P171 WeakPolarHBondContact O-CB 3.49Å; F120-P171 VanDerWaalsContact O-CG 3.27Å; F120-P171 WeakPolarHBondContact O-CG 3.47Å
121L97.3Very high97.4Very high7 Ų721.5 Ų21.54%0.03713%0.131CC..EExtended strand (participates in β ladder)trans-115.687.2168.2179.869.2000108.1N123 L124 I126 F169 P171 S173 A177 A196L121-N123 PolarHBondContact O-N 3.35Å; L121-L124 HydrophobicContact CD2-CD2 4.5Å; L121-L124 PolarHBondContact N-O 3.43Å; L121-L124 WeakPolarHBondContact O-CB 3.47Å; L121-L124 PolarHBondContact O-N 2.9Å; L121-I126 HydrophobicContact CB-CD1 3.74Å; L121-I126 HydrophobicContact CD2-CD1 3.91Å; L121-I126 HydrophobicContact CG-CD1 4.49Å; L121-F169 HydrophobicContact CD2-CZ 4.29Å; L121-P171 HydrophobicContact CD1-CB 4.12Å; L121-S173 WeakPolarHBondContact CD1-O 3.44Å; L121-A177 HydrophobicContact CD1-CB 4.45Å; L121-A196 HydrophobicContact CD1-CB 4.15Å; L121-A196 HydrophobicContact CD2-CB 3.78Å; L121-A196 HydrophobicContact CG-CB 4.41Å
122G95.1Very high97.3Very high39 Ų3919.5 Ų19.540%0.40212%0.12SC..THydrogen-bonded Turntrans64.4-126.2-169.700000111.1L124G122-L124 VanDerWaalsContact C-N 3.26Å; G122-L124 PolarHBondContact O-N 3.04Å
123N94.2Very high97.3Very high100 Ų10019.9 Ų19.954%0.53512%0.122SC..THydrogen-bonded Turntrans-90.123.7177.8-161.151.9000113.7L121 E149 D151L121-N123 PolarHBondContact O-N 3.35Å; N123-E149 PolarHBondContact ND2-O 2.98Å; N123-D151 PolarHBondContact O-N 3.23Å; N123-D151 VanDerWaalsContact O-N 3.17Å
124L96.7Very high97.3Very high7 Ų723.7 Ų23.74%0.03714%0.143CC..EExtended strand (participates in β ladder)trans-117.6126176.7177.370.1000109.2F120 L121 G122 I126 D151 L153 R195F120-L124 CarbonylContact C-O 3.57Å; F120-L124 WeakPolarHBondContact CA-O 3.39Å; L121-L124 HydrophobicContact CD2-CD2 4.5Å; L121-L124 PolarHBondContact N-O 3.43Å; L121-L124 WeakPolarHBondContact O-CB 3.47Å; L121-L124 PolarHBondContact O-N 2.9Å; G122-L124 VanDerWaalsContact C-N 3.26Å; G122-L124 PolarHBondContact O-N 3.04Å; L124-I126 HydrophobicContact CD2-CD1 4.2Å; L124-I126 HydrophobicContact CD2-CG1 3.75Å; L124-I126 HydrophobicContact CG-CG1 4.06Å; L124-D151 CarbonylContact C-O 3.58Å; L124-D151 WeakPolarHBondContact CA-O 3.18Å; L124-D151 HydrophobicContact CD1-CB 3.68Å; L124-D151 WeakPolarHBondContact CD1-O 3.22Å; L124-L153 HydrophobicContact CD1-CB 3.87Å; L124-L153 HydrophobicContact CD2-CB 4.32Å; L124-L153 HydrophobicContact CD2-CD2 4.48Å; L124-L153 HydrophobicContact CG-CB 4.42Å; L124-R195 VanDerWaalsContact CD2-CD 3.4Å
125L98.2Very high97.2Very high0 Ų028 Ų280%016%0.163CC..EExtended strand (participates in β ladder)trans-85.5120.4162.1-176.767.7000109.1L71 F120 I141 L146 V150 D151 V152 L153L71-L125 HydrophobicContact CD1-CD1 4.05Å; L71-L125 HydrophobicContact CD2-CD1 3.84Å; L71-L125 HydrophobicContact CD2-CD2 3.68Å; L71-L125 HydrophobicContact CD2-CG 4.43Å; F120-L125 HydrophobicContact CD1-CB 4.31Å; F120-L125 HydrophobicContact CD1-CD1 4.13Å; F120-L125 HydrophobicContact CD2-CD1 4.35Å; F120-L125 HydrophobicContact CE1-CB 4.15Å; F120-L125 HydrophobicContact CE1-CD1 3.97Å; F120-L125 HydrophobicContact CE2-CD1 4.18Å; F120-L125 HydrophobicContact CG-CD1 4.32Å; F120-L125 HydrophobicContact CZ-CD1 3.99Å; L125-I141 HydrophobicContact CD2-CG2 3.94Å; L125-L146 HydrophobicContact CB-CD1 4.41Å; L125-L146 HydrophobicContact CD2-CD1 3.88Å; L125-V150 HydrophobicContact CB-CG1 3.94Å; L125-D151 PolarHBondContact N-O 3.03Å; L125-V152 HydrophobicContact CB-CG2 4.24Å; L125-V152 HydrophobicContact CD2-CG2 4.45Å; L125-V152 WeakPolarHBondContact O-CA 3.47Å; L125-L153 PolarHBondContact O-N 2.91Å
126I98Very high97.2Very high0 Ų032.4 Ų32.40%019%0.185CC..EExtended strand (participates in β ladder)trans-95.9121.1168.9-60.3163.3000107S118 L119 L121 L124 L153 V155 L165 F169 L192S118-I126 WeakPolarHBondContact CA-O 3.26Å; L119-I126 PolarHBondContact N-O 3.37Å; L119-I126 PolarHBondContact O-N 2.84Å; L121-I126 HydrophobicContact CB-CD1 3.74Å; L121-I126 HydrophobicContact CD2-CD1 3.91Å; L121-I126 HydrophobicContact CG-CD1 4.49Å; L124-I126 HydrophobicContact CD2-CD1 4.2Å; L124-I126 HydrophobicContact CD2-CG1 3.75Å; L124-I126 HydrophobicContact CG-CG1 4.06Å; I126-L153 WeakPolarHBondContact CA-O 3.11Å; I126-V155 HydrophobicContact CG2-CG1 4.02Å; I126-V155 HydrophobicContact CG2-CG2 3.83Å; I126-L165 HydrophobicContact CB-CD2 4.21Å; I126-L165 HydrophobicContact CG2-CD1 4.43Å; I126-L165 HydrophobicContact CG2-CD2 3.76Å; I126-F169 HydrophobicContact CD1-CD1 4.31Å; I126-F169 HydrophobicContact CD1-CE1 3.36Å; I126-F169 HydrophobicContact CD1-CZ 3.55Å; I126-L192 HydrophobicContact CD1-CD2 3.49Å; I126-L192 VanDerWaalsContact CD1-CD2 3.49Å; I126-L192 HydrophobicContact CG1-CD2 4.08Å
127G98.1Very high97.2Very high0 Ų032.4 Ų32.40%019%0.185CC..EExtended strand (participates in β ladder)trans-116.6119.4179.700000111.4D117 Y138 L153 T154 V155D117-G127 CarbonylContact O-C 3.53Å; D117-G127 VanDerWaalsContact O-CA 3.32Å; D117-G127 WeakPolarHBondContact O-CA 3.36Å; G127-Y138 VanDerWaalsContact CA-CE1 3.41Å; G127-Y138 WeakPolarHBondContact CA-OH 3.32Å; G127-L153 PolarHBondContact N-O 3.07Å; G127-T154 CarbonylContact O-C 3.48Å; G127-T154 VanDerWaalsContact O-CA 3.22Å; G127-T154 WeakPolarHBondContact O-CA 3.12Å; G127-V155 PolarHBondContact O-N 3.23Å
128S97.6Very high97.2Very high0 Ų032.5 Ų32.50%019%0.185CC..EExtended strand (participates in β ladder)trans-84.4154.9174.447.10000113.1D117 Y138 V155 L165D117-S128 WeakPolarHBondContact CA-OG 3.49Å; D117-S128 WeakPolarHBondContact CB-OG 3.49Å; D117-S128 PolarHBondContact O-N 3.33Å; D117-S128 PolarHBondContact O-OG 3Å; D117-S128 PolarHBondContact OD1-OG 2.88Å; S128-Y138 PolarHBondContact N-OH 3.39Å; S128-Y138 VanDerWaalsContact O-CE2 3.31Å; S128-Y138 WeakPolarHBondContact O-CE2 3.27Å; S128-Y138 PolarHBondContact O-OH 3.22Å; S128-V155 CarbonylContact C-O 3.38Å; S128-V155 WeakPolarHBondContact CA-O 3.49Å; S128-L165 VanDerWaalsContact OG-CB 3.27Å; S128-L165 WeakPolarHBondContact OG-CB 3.4Å
129H96.1Very high97.1Very high46 Ų4635.7 Ų35.721%0.21321%0.212CC..EExtended strand (participates in β ladder)trans-143.1166.7169.562.190.5000110.5S133 E135 V155 G156 L157H129-S133 WeakPolarHBondContact CA-O 3.45Å; H129-S133 WeakPolarHBondContact CB-O 3.37Å; H129-E135 HydrophobicContact CB-CB 4.01Å; H129-E135 IonicContact NE2-OE1 2.91Å; H129-V155 PolarHBondContact CD2-O 3.29Å; H129-V155 VanDerWaalsContact CD2-O 3.29Å; H129-V155 PolarHBondContact N-O 3.07Å; H129-G156 PolarHBondContact NE2-N 2.57Å; H129-L157 PolarHBondContact O-N 2.62Å; H129-L157 VanDerWaalsContact O-N 3.08Å
130G93.3Very high97Very high57 Ų5738.2 Ų38.259%0.58822%0.222SC*.SBendtrans129-40.517400000113.6
131F96.7Very high97Very high61 Ų6135.1 Ų35.127%0.26821%0.209SC..SBendtrans-119-47.6-176.2-59.6-68.2000114.2M83 L157 D159 A160M83-F131 WeakPolarHBondContact CE-O 3.33Å; F131-L157 HydrophobicContact CD2-CB 3.86Å; F131-L157 HydrophobicContact CE2-CB 3.8Å; F131-D159 WeakPolarHBondContact CE2-O 3.12Å; F131-A160 HydrophobicContact CD1-CB 4.19Å; F131-A160 HydrophobicContact CE1-CB 3.61Å; F131-A160 HydrophobicContact CZ-CB 3.88Å
132R97.7Very high97Very high6 Ų637.8 Ų37.82%0.02322%0.22CC..SBendtrans-121-13.7-172.8-67.1-51.9-167.5114.8-11.6115.9I18 I111 E113 D117 Y163 H164I18-R132 PolarHBondContact O-NH2 3.03Å; I111-R132 VanDerWaalsContact CG2-O 3.27Å; I111-R132 WeakPolarHBondContact CG2-O 3.31Å; E113-R132 HydrophobicContact CB-CB 4.27Å; E113-R132 HydrophobicContact CG-CB 4.13Å; E113-R132 IonicContact OE1-NH1 3.4Å; E113-R132 PolarHBondContact OE1-NH1 3.06Å; E113-R132 VanDerWaalsContact OE1-NH1 3.13Å; E113-R132 IonicContact OE2-NH1 3.42Å; E113-R132 PolarHBondContact OE2-NH1 3.17Å; E113-R132 VanDerWaalsContact OE2-NH1 3.08Å; D117-R132 WeakPolarHBondContact OD2-CB 3.46Å; R132-Y163 HydrophobicContact CG-CD2 3.61Å; R132-Y163 HydrophobicContact CG-CE2 4.44Å; R132-Y163 HydrophobicContact CG-CG 4.41Å; R132-H164 VanDerWaalsContact CB-CD2 3.48Å; R132-H164 WeakPolarHBondContact CB-CD2 3.34Å; R132-H164 VanDerWaalsContact CB-NE2 3.28Å; R132-H164 WeakPolarHBondContact CB-NE2 3.39Å; R132-H164 WeakPolarHBondContact CG-NE2 3.48Å
133S98.3Very high97Very high7 Ų743 Ų435%0.04923%0.231CC..  trans-132.5144.3176.8-65.50000112.1Y112 E113 D117 H129Y112-S133 WeakPolarHBondContact CA-OG 3.38Å; Y112-S133 WeakPolarHBondContact CD2-OG 3.3Å; E113-S133 PolarHBondContact N-OG 2.81Å; D117-S133 WeakPolarHBondContact CB-OG 3.28Å; D117-S133 WeakPolarHBondContact OD2-CB 3.5Å; D117-S133 PolarHBondContact OD2-N 3.15Å; D117-S133 PolarHBondContact OD2-OG 3.25Å; H129-S133 WeakPolarHBondContact CA-O 3.45Å; H129-S133 WeakPolarHBondContact CB-O 3.37Å
134D97.8Very high97.1Very high81 Ų8142.4 Ų42.443%0.43323%0.228SC..  trans-86.9130.6172.7-171.8-25.9000110.1T110 I111 I136 V137T110-D134 HydrophobicContact CG2-CB 3.97Å; I111-D134 PolarHBondContact O-N 2.96Å; D134-I136 HydrophobicContact CB-CG2 4.27Å; D134-I136 PolarHBondContact O-N 3.11Å; D134-I136 VanDerWaalsContact O-N 3.09Å; D134-I136 WeakPolarHBondContact OD1-CG2 3.35Å; D134-I136 PolarHBondContact OD1-N 3.2Å; D134-V137 WeakPolarHBondContact O-CG1 3.15Å; D134-V137 PolarHBondContact O-N 2.93Å
135E97.2Very high97.1Very high91 Ų9142 Ų4243%0.42523%0.226SC..THydrogen-bonded Turntrans-55.2-30.6-179.1-169.6179.6-16300112.7H129 V137 Y138 T154H129-E135 HydrophobicContact CB-CB 4.01Å; H129-E135 IonicContact NE2-OE1 2.91Å; E135-V137 PolarHBondContact O-N 3.44Å; E135-V137 VanDerWaalsContact O-N 3.16Å; E135-Y138 VanDerWaalsContact O-CD2 3.29Å; E135-Y138 WeakPolarHBondContact O-CD2 3.45Å; E135-Y138 PolarHBondContact O-N 3.38Å; E135-T154 HydrophobicContact CG-CG2 3.83Å; E135-T154 WeakPolarHBondContact OE1-CB 3.4Å; E135-T154 PolarHBondContact OE1-OG1 2.56Å
136I97.3Very high97.1Very high97 Ų9742 Ų4250%0.49723%0.226SC..Hα-helixtrans-63.6-23.3-176.9-161.2171.1000113.5T110 D134 Y138T110-I136 HydrophobicContact CG2-CG2 3.57Å; D134-I136 HydrophobicContact CB-CG2 4.27Å; D134-I136 PolarHBondContact O-N 3.11Å; D134-I136 VanDerWaalsContact O-N 3.09Å; D134-I136 WeakPolarHBondContact OD1-CG2 3.35Å; D134-I136 PolarHBondContact OD1-N 3.2Å; I136-Y138 PolarHBondContact O-N 3.43Å
137V98Very high96.7Very high0 Ų045.3 Ų45.30%024%0.243CC..Hα-helixtrans-62.7-32.7-179.176.70000111.7W78 T110 Y112 D134 E135 A139 K140 I141W78-V137 HydrophobicContact CZ2-CG2 4.04Å; T110-V137 HydrophobicContact CG2-CB 3.75Å; T110-V137 HydrophobicContact CG2-CG2 4.19Å; Y112-V137 HydrophobicContact CD1-CG2 4.42Å; Y112-V137 HydrophobicContact CD2-CG1 3.59Å; Y112-V137 HydrophobicContact CD2-CG2 4.41Å; Y112-V137 HydrophobicContact CE2-CG1 4.15Å; Y112-V137 HydrophobicContact CG-CG1 4.02Å; Y112-V137 HydrophobicContact CG-CG2 4.01Å; D134-V137 WeakPolarHBondContact O-CG1 3.15Å; D134-V137 PolarHBondContact O-N 2.93Å; E135-V137 PolarHBondContact O-N 3.44Å; E135-V137 VanDerWaalsContact O-N 3.16Å; V137-A139 PolarHBondContact O-N 3.25Å; V137-K140 WeakPolarHBondContact O-CB 3.27Å; V137-K140 PolarHBondContact O-N 3.1Å; V137-I141 HydrophobicContact CG1-CD1 4.19Å; V137-I141 HydrophobicContact CG2-CD1 3.96Å; V137-I141 HydrophobicContact CG2-CG1 4.31Å; V137-I141 PolarHBondContact O-N 2.77Å
138Y98.1Very high96.2Very high3 Ų350.2 Ų50.21%0.01227%0.27CS..Hα-helixtrans-67.8-34.5-172.4-65.8-57.9000113.3Y112 D117 S118 G127 S128 E135 I136 K140 I141 K142 T154Y112-Y138 AromaticContact CE2-CE1 3.92Å; Y112-Y138 HydrophobicContact CE2-CE1 3.92Å; D117-Y138 PolarHBondContact O-OH 3.37Å; D117-Y138 VanDerWaalsContact O-OH 3.09Å; S118-Y138 WeakPolarHBondContact OG-CE1 3.46Å; G127-Y138 VanDerWaalsContact CA-CE1 3.41Å; G127-Y138 WeakPolarHBondContact CA-OH 3.32Å; S128-Y138 PolarHBondContact N-OH 3.39Å; S128-Y138 VanDerWaalsContact O-CE2 3.31Å; S128-Y138 WeakPolarHBondContact O-CE2 3.27Å; S128-Y138 PolarHBondContact O-OH 3.22Å; E135-Y138 VanDerWaalsContact O-CD2 3.29Å; E135-Y138 WeakPolarHBondContact O-CD2 3.45Å; E135-Y138 PolarHBondContact O-N 3.38Å; I136-Y138 PolarHBondContact O-N 3.43Å; Y138-K140 VanDerWaalsContact C-N 3.29Å; Y138-K140 PolarHBondContact O-N 2.95Å; Y138-I141 HydrophobicContact CD1-CD1 4.29Å; Y138-I141 PolarHBondContact O-N 3.05Å; Y138-K142 WeakPolarHBondContact O-CB 3.33Å; Y138-K142 PolarHBondContact O-N 2.96Å; Y138-T154 HydrophobicContact CD2-CG2 3.53Å; Y138-T154 HydrophobicContact CE2-CG2 4.37Å; Y138-T154 HydrophobicContact CG-CG2 3.93Å
139A96.4Very high96Very high70 Ų7054.8 Ų54.858%0.57929%0.291SS*.Hα-helixtrans-64.7-36.2173.600000111.7V137 K143V137-A139 PolarHBondContact O-N 3.25Å; A139-K143 WeakPolarHBondContact O-CB 3.19Å; A139-K143 PolarHBondContact O-N 3.09Å
140K96.7Very high96Very high65 Ų6552.7 Ų52.728%0.28328%0.281SS..Hα-helixtrans-71.6-47.1176.9-57.3176.8178.4176.50111.2W78 D108 T110 V137 Y138 K142 K143 L144W78-K140 HydrophobicContact CH2-CB 3.61Å; W78-K140 HydrophobicContact CH2-CD 4.44Å; W78-K140 HydrophobicContact CZ2-CB 4.12Å; W78-K140 HydrophobicContact CZ2-CD 4.47Å; W78-K140 HydrophobicContact CZ3-CB 4.36Å; D108-K140 WeakPolarHBondContact OD2-CD 3.34Å; D108-K140 IonicContact OD2-NZ 3.97Å; D108-K140 PolarHBondContact OD2-NZ 2.88Å; T110-K140 PolarHBondContact OG1-NZ 2.8Å; V137-K140 WeakPolarHBondContact O-CB 3.27Å; V137-K140 PolarHBondContact O-N 3.1Å; Y138-K140 VanDerWaalsContact C-N 3.29Å; Y138-K140 PolarHBondContact O-N 2.95Å; K140-K142 VanDerWaalsContact C-N 3.32Å; K140-K142 PolarHBondContact O-N 2.9Å; K140-K143 PolarHBondContact O-N 3.16Å; K140-L144 HydrophobicContact CB-CD1 4.44Å; K140-L144 VanDerWaalsContact O-CB 3.3Å; K140-L144 WeakPolarHBondContact O-CB 3.35Å; K140-L144 WeakPolarHBondContact O-CG 3.18Å; K140-L144 PolarHBondContact O-N 2.84Å
141I98.1Very high96.1Very high0 Ų054 Ų540%028%0.275CS..Hα-helixtrans-53.7-50.2175-74.6168.5000110.4L71 W78 Y112 L125 V137 Y138 K143 M145 L146L71-I141 HydrophobicContact CD2-CD1 4.49Å; L71-I141 HydrophobicContact CD2-CG2 4.04Å; W78-I141 HydrophobicContact CB-CG1 4.23Å; W78-I141 HydrophobicContact CD2-CD1 4.22Å; W78-I141 HydrophobicContact CD2-CG1 3.41Å; W78-I141 VanDerWaalsContact CD2-CG1 3.41Å; W78-I141 HydrophobicContact CE3-CB 4.45Å; W78-I141 HydrophobicContact CE3-CG1 3.68Å; W78-I141 HydrophobicContact CG-CD1 4.01Å; W78-I141 HydrophobicContact CG-CG1 3.66Å; W78-I141 HydrophobicContact CZ2-CG1 4.36Å; W78-I141 HydrophobicContact CZ3-CG1 4.28Å; Y112-I141 HydrophobicContact CD1-CD1 4.48Å; Y112-I141 HydrophobicContact CE1-CD1 3.91Å; Y112-I141 HydrophobicContact CE2-CD1 4.14Å; L125-I141 HydrophobicContact CD2-CG2 3.94Å; V137-I141 HydrophobicContact CG1-CD1 4.19Å; V137-I141 HydrophobicContact CG2-CD1 3.96Å; V137-I141 HydrophobicContact CG2-CG1 4.31Å; V137-I141 PolarHBondContact O-N 2.77Å; Y138-I141 HydrophobicContact CD1-CD1 4.29Å; Y138-I141 PolarHBondContact O-N 3.05Å; I141-K143 PolarHBondContact O-N 3.23Å; I141-M145 HydrophobicContact CG2-CE 4.02Å; I141-M145 PolarHBondContact O-N 3.45Å; I141-L146 HydrophobicContact CG2-CD1 3.77Å; I141-L146 HydrophobicContact CG2-CG 3.9Å; I141-L146 PolarHBondContact O-N 2.72Å; I141-L146 VanDerWaalsContact O-N 3.09Å
142K97.4Very high96.1Very high64 Ų6452.7 Ų52.728%0.27827%0.272SS..Hα-helixtrans-55.8-50178.9-170.1177.1-176.7172.90112.3Y138 K140 N148 V150 V152Y138-K142 WeakPolarHBondContact O-CB 3.33Å; Y138-K142 PolarHBondContact O-N 2.96Å; K140-K142 VanDerWaalsContact C-N 3.32Å; K140-K142 PolarHBondContact O-N 2.9Å; K142-N148 PolarHBondContact O-N 3.07Å; K142-V150 WeakPolarHBondContact CE-O 3.43Å; K142-V152 HydrophobicContact CB-CG2 3.82Å; K142-V152 HydrophobicContact CD-CB 4.28Å; K142-V152 HydrophobicContact CD-CG2 3.85Å; K142-V152 HydrophobicContact CG-CG2 3.85Å
143K95.8Very high96Very high147 Ų14753.1 Ų53.164%0.63927%0.274SS*.Hα-helixtrans-72.4-40.9-173.8-178.6179.7177.2-178.40112.8A139 K140 I141A139-K143 WeakPolarHBondContact O-CB 3.19Å; A139-K143 PolarHBondContact O-N 3.09Å; K140-K143 PolarHBondContact O-N 3.16Å; I141-K143 PolarHBondContact O-N 3.23Å
144L95.8Very high95.9Very high88 Ų8854.4 Ų54.446%0.46128%0.282SS..Hα-helixtrans-100.8-34.5-166.6-60.2177.4000113.6W78 F106 K140W78-L144 HydrophobicContact CH2-CD1 4.19Å; W78-L144 HydrophobicContact CZ3-CB 4.2Å; W78-L144 HydrophobicContact CZ3-CD1 4.18Å; F106-L144 HydrophobicContact CD1-CB 4.32Å; F106-L144 HydrophobicContact CE1-CB 4.34Å; F106-L144 VanDerWaalsContact CE1-O 3.23Å; F106-L144 WeakPolarHBondContact CE1-O 3.31Å; K140-L144 HydrophobicContact CB-CD1 4.44Å; K140-L144 VanDerWaalsContact O-CB 3.3Å; K140-L144 WeakPolarHBondContact O-CB 3.35Å; K140-L144 WeakPolarHBondContact O-CG 3.18Å; K140-L144 PolarHBondContact O-N 2.84Å
145M97.3Very high95.8Very high0 Ų050.6 Ų50.60%026%0.262CS..THydrogen-bonded Turntrans-106.5-37.6-175.6-172.9178.972.200112.8L71 R76 W78 F106 I141L71-M145 HydrophobicContact CB-CE 4.37Å; L71-M145 HydrophobicContact CD2-CE 3.77Å; L71-M145 HydrophobicContact CG-CE 3.95Å; R76-M145 HydrophobicContact CB-CG 3.75Å; R76-M145 HydrophobicContact CB-SD 4.07Å; R76-M145 WeakPolarHBondContact CD-O 3.19Å; R76-M145 PolarHBondContact NH1-O 3.13Å; W78-M145 HydrophobicContact CB-CE 3.94Å; W78-M145 HydrophobicContact CB-SD 3.74Å; W78-M145 HydrophobicContact CE3-CB 4.29Å; W78-M145 PolarHBondContact N-SD 2.98Å; F106-M145 HydrophobicContact CD2-CB 4.4Å; F106-M145 HydrophobicContact CD2-CG 4.13Å; F106-M145 HydrophobicContact CD2-SD 4.45Å; F106-M145 HydrophobicContact CE2-CG 4.25Å; F106-M145 HydrophobicContact CG-CB 4.47Å; I141-M145 HydrophobicContact CG2-CE 4.02Å; I141-M145 PolarHBondContact O-N 3.45Å
146L96.6Very high95.6Very high0 Ų047 Ų470%025%0.25CC..SBendtrans-92.73.5-174.3-54-179.6000114.1Y73 F120 L125 I141 N148 E149 V150 V152Y73-L146 HydrophobicContact CD1-CD2 3.57Å; Y73-L146 HydrophobicContact CD2-CD2 3.86Å; Y73-L146 HydrophobicContact CE1-CD2 4.16Å; Y73-L146 HydrophobicContact CE2-CD2 4.43Å; Y73-L146 HydrophobicContact CG-CD2 3.39Å; F120-L146 HydrophobicContact CZ-CD2 4.3Å; L125-L146 HydrophobicContact CB-CD1 4.41Å; L125-L146 HydrophobicContact CD2-CD1 3.88Å; I141-L146 HydrophobicContact CG2-CD1 3.77Å; I141-L146 HydrophobicContact CG2-CG 3.9Å; I141-L146 PolarHBondContact O-N 2.72Å; I141-L146 VanDerWaalsContact O-N 3.09Å; L146-N148 PolarHBondContact O-N 3.23Å; L146-E149 PolarHBondContact O-N 3.08Å; L146-V150 HydrophobicContact CB-CB 4.17Å; L146-V150 HydrophobicContact CB-CG2 4.43Å; L146-V150 HydrophobicContact CD1-CB 3.92Å; L146-V150 HydrophobicContact CD1-CG1 3.99Å; L146-V152 HydrophobicContact CD1-CG2 4.27Å
147D90.1Very high95.5Very high68 Ų6843 Ų4336%0.36423%0.229SC..THydrogen-bonded Turntrans52.121.6179.9-60.3-24000114.9R76 E149R76-D147 IonicContact CZ-OD1 3.27Å; R76-D147 IonicContact CZ-OD2 3.94Å; R76-D147 VanDerWaalsContact CZ-OD2 3.27Å; R76-D147 IonicContact NH1-OD1 2.83Å; R76-D147 PolarHBondContact NH1-OD1 3.09Å; R76-D147 IonicContact NH1-OD2 3.84Å; R76-D147 PolarHBondContact NH1-OD2 3.33Å; R76-D147 IonicContact NH2-OD1 2.87Å; R76-D147 IonicContact NH2-OD2 3.05Å; R76-D147 PolarHBondContact NH2-OD2 3.19Å; D147-E149 HydrophobicContact CB-CG 4.16Å; D147-E149 PolarHBondContact O-N 3.13Å
148N88.4Confident95.4Very high103 Ų10348 Ų4855%0.55126%0.255SS*.THydrogen-bonded Turntrans58.413.7-167.9-52.3-70.8000115.7K142 L146 V150K142-N148 PolarHBondContact O-N 3.07Å; L146-N148 PolarHBondContact O-N 3.23Å; N148-V150 VanDerWaalsContact C-N 3.29Å
149E92.3Very high95.3Very high97 Ų9749.7 Ų49.745%0.45326%0.264SS..THydrogen-bonded Turntrans-74.1-23.6176.7-64.4179.1161.200112.6Y73 K74 N123 L146 D147Y73-E149 PolarHBondContact OH-OE2 3.15Å; K74-E149 IonicContact NZ-OE1 3.61Å; K74-E149 IonicContact NZ-OE2 2.7Å; K74-E149 PolarHBondContact NZ-OE2 2.98Å; N123-E149 PolarHBondContact ND2-O 2.98Å; L146-E149 PolarHBondContact O-N 3.08Å; D147-E149 HydrophobicContact CB-CG 4.16Å; D147-E149 PolarHBondContact O-N 3.13Å
150V96.3Very high95.2Very high1 Ų148.5 Ų48.51%0.00625%0.254CS..SBendtrans-110.1132-175174.50000109.9Y73 F120 L125 K142 L146 N148Y73-V150 HydrophobicContact CD2-CG2 4.5Å; Y73-V150 HydrophobicContact CE2-CG2 3.71Å; F120-V150 HydrophobicContact CD1-CG1 4.4Å; F120-V150 HydrophobicContact CE1-CG1 4.01Å; F120-V150 HydrophobicContact CE1-CG2 4.43Å; L125-V150 HydrophobicContact CB-CG1 3.94Å; K142-V150 WeakPolarHBondContact CE-O 3.43Å; L146-V150 HydrophobicContact CB-CB 4.17Å; L146-V150 HydrophobicContact CB-CG2 4.43Å; L146-V150 HydrophobicContact CD1-CB 3.92Å; L146-V150 HydrophobicContact CD1-CG1 3.99Å; N148-V150 VanDerWaalsContact C-N 3.29Å
151D95.4Very high95.2Very high84 Ų8448.9 Ų48.945%0.44926%0.257SS..EExtended strand (participates in β ladder)trans-70.4149.1169.5-83.5-27.2000110.5N123 L124 L125 R195N123-D151 PolarHBondContact O-N 3.23Å; N123-D151 VanDerWaalsContact O-N 3.17Å; L124-D151 CarbonylContact C-O 3.58Å; L124-D151 WeakPolarHBondContact CA-O 3.18Å; L124-D151 HydrophobicContact CD1-CB 3.68Å; L124-D151 WeakPolarHBondContact CD1-O 3.22Å; L125-D151 PolarHBondContact N-O 3.03Å; D151-R195 IonicContact OD2-NH1 3.13Å
152V97.1Very high95.2Very high35 Ų3548.9 Ų48.921%0.21226%0.257CS..EExtended strand (participates in β ladder)trans-125.2128.3178.6179.30000109L125 K142 L146 T154L125-V152 HydrophobicContact CB-CG2 4.24Å; L125-V152 HydrophobicContact CD2-CG2 4.45Å; L125-V152 WeakPolarHBondContact O-CA 3.47Å; K142-V152 HydrophobicContact CB-CG2 3.82Å; K142-V152 HydrophobicContact CD-CB 4.28Å; K142-V152 HydrophobicContact CD-CG2 3.85Å; K142-V152 HydrophobicContact CG-CG2 3.85Å; L146-V152 HydrophobicContact CD1-CG2 4.27Å; V152-T154 HydrophobicContact CG1-CG2 4.49Å
153L96.2Very high95.2Very high14 Ų1446.8 Ų46.87%0.07325%0.247CC..EExtended strand (participates in β ladder)trans-119.1122.1171.717468.8000108.8L124 L125 I126 G127 V155 E191 L192L124-L153 HydrophobicContact CD1-CB 3.87Å; L124-L153 HydrophobicContact CD2-CB 4.32Å; L124-L153 HydrophobicContact CD2-CD2 4.48Å; L124-L153 HydrophobicContact CG-CB 4.42Å; L125-L153 PolarHBondContact O-N 2.91Å; I126-L153 WeakPolarHBondContact CA-O 3.11Å; G127-L153 PolarHBondContact N-O 3.07Å; L153-V155 HydrophobicContact CD2-CG1 4.14Å; L153-V155 HydrophobicContact CG-CG1 4.04Å; L153-E191 HydrophobicContact CD1-CB 4.11Å; L153-E191 HydrophobicContact CD1-CG 4.29Å; L153-E191 WeakPolarHBondContact CD1-OE2 3.44Å; L153-E191 HydrophobicContact CD2-CB 3.93Å; L153-L192 HydrophobicContact CD2-CD2 3.78Å; L153-L192 HydrophobicContact CD2-CG 4.36Å
154T96.4Very high95.3Very high34 Ų3439.8 Ų39.821%0.20922%0.217CC..EExtended strand (participates in β ladder)trans-92.3137.3174.555.70000110.7G127 E135 Y138 V152G127-T154 CarbonylContact O-C 3.48Å; G127-T154 VanDerWaalsContact O-CA 3.22Å; G127-T154 WeakPolarHBondContact O-CA 3.12Å; E135-T154 HydrophobicContact CG-CG2 3.83Å; E135-T154 WeakPolarHBondContact OE1-CB 3.4Å; E135-T154 PolarHBondContact OE1-OG1 2.56Å; Y138-T154 HydrophobicContact CD2-CG2 3.53Å; Y138-T154 HydrophobicContact CE2-CG2 4.37Å; Y138-T154 HydrophobicContact CG-CG2 3.93Å; V152-T154 HydrophobicContact CG1-CG2 4.49Å
155V95.5Very high95.4Very high1 Ų135.6 Ų35.61%0.00620%0.195CC..EExtended strand (participates in β ladder)trans-131.4130.7-176.6-58.90000111.5I126 G127 S128 H129 L153 L165 T188I126-V155 HydrophobicContact CG2-CG1 4.02Å; I126-V155 HydrophobicContact CG2-CG2 3.83Å; G127-V155 PolarHBondContact O-N 3.23Å; S128-V155 CarbonylContact C-O 3.38Å; S128-V155 WeakPolarHBondContact CA-O 3.49Å; H129-V155 PolarHBondContact CD2-O 3.29Å; H129-V155 VanDerWaalsContact CD2-O 3.29Å; H129-V155 PolarHBondContact N-O 3.07Å; L153-V155 HydrophobicContact CD2-CG1 4.14Å; L153-V155 HydrophobicContact CG-CG1 4.04Å; V155-L165 HydrophobicContact CG2-CD1 4.14Å; V155-T188 HydrophobicContact CB-CG2 3.71Å; V155-T188 HydrophobicContact CG1-CG2 3.56Å
156G93.1Very high95.4Very high17 Ų1735.6 Ų35.618%0.17520%0.195CC..EExtended strand (participates in β ladder)trans-81.4129.7174.500000111.4H129H129-G156 PolarHBondContact NE2-N 2.57Å
157L95.5Very high95.5Very high11 Ų1135.6 Ų35.66%0.05820%0.195CC..BIsolated β-bridgetrans-86.4139.5166-61.4173.1000109.2H129 F131 F162 T168H129-L157 PolarHBondContact O-N 2.62Å; H129-L157 VanDerWaalsContact O-N 3.08Å; F131-L157 HydrophobicContact CD2-CB 3.86Å; F131-L157 HydrophobicContact CE2-CB 3.8Å; L157-F162 WeakPolarHBondContact CD1-O 3.42Å; L157-T168 HydrophobicContact CD2-CG2 4.34Å
158I95.2Very high95.9Very high106 Ų10632.4 Ų32.454%0.54418%0.178SC..  trans-117.2-6.8-173.864.7169.3000114.5A183I158-A183 PolarHBondContact N-O 2.89Å; I158-A183 VanDerWaalsContact N-O 3.14Å
159D95.4Very high96.4Very high39 Ų3927.5 Ų27.521%0.20915%0.152CC..  trans-123.6118-178.6-174.4-17.1000109.8F131 Q161 F162F131-D159 WeakPolarHBondContact CE2-O 3.12Å; D159-Q161 PolarHBondContact O-N 3.19Å; D159-Q161 WeakPolarHBondContact OD1-CB 3.47Å; D159-Q161 PolarHBondContact OD1-N 2.98Å; D159-F162 HydrophobicContact CB-CD2 4.05Å; D159-F162 CarbonylContact O-C 3.36Å; D159-F162 WeakPolarHBondContact O-CA 3.49Å; D159-F162 PolarHBondContact O-N 2.84Å
160A95.4Very high96.7Very high45 Ų4523.1 Ų23.137%0.37213%0.132SC..G310 helixtrans-68.6-17.6-175.900000113.6F131 F162F131-A160 HydrophobicContact CD1-CB 4.19Å; F131-A160 HydrophobicContact CE1-CB 3.61Å; F131-A160 HydrophobicContact CZ-CB 3.88Å; A160-F162 PolarHBondContact O-N 3.15Å
161Q96.4Very high96.8Very high72 Ų7224.2 Ų24.234%0.33614%0.139SC..G310 helixtrans-63.7-27.3169.2-63-173.8-98.300110.8W21 D159 H207W21-Q161 HydrophobicContact CZ2-CB 4.18Å; W21-Q161 PolarHBondContact NE1-O 2.88Å; D159-Q161 PolarHBondContact O-N 3.19Å; D159-Q161 WeakPolarHBondContact OD1-CB 3.47Å; D159-Q161 PolarHBondContact OD1-N 2.98Å; Q161-H207 PolarHBondContact NE2-NE2 2.96Å
162F97.3Very high96.9Very high0 Ų020.7 Ų20.70%012%0.12CC..G310 helixtrans-11363.4-179.3-60.2-82.8000110.4L157 D159 A160 H164 T167 T168 Y180 A183 A206L157-F162 WeakPolarHBondContact CD1-O 3.42Å; D159-F162 HydrophobicContact CB-CD2 4.05Å; D159-F162 CarbonylContact O-C 3.36Å; D159-F162 WeakPolarHBondContact O-CA 3.49Å; D159-F162 PolarHBondContact O-N 2.84Å; A160-F162 PolarHBondContact O-N 3.15Å; F162-H164 PolarHBondContact O-N 2.65Å; F162-T167 WeakPolarHBondContact CA-OG1 3.48Å; F162-T167 WeakPolarHBondContact CB-OG1 3.46Å; F162-T168 HydrophobicContact CB-CG2 3.33Å; F162-T168 HydrophobicContact CD1-CG2 3.84Å; F162-T168 HydrophobicContact CG-CG2 3.77Å; F162-Y180 HydrophobicContact CD1-CD1 4.43Å; F162-Y180 HydrophobicContact CD2-CD1 4.16Å; F162-Y180 AromaticContact CD2-CE1 3.98Å; F162-Y180 HydrophobicContact CD2-CE1 3.98Å; F162-Y180 HydrophobicContact CE1-CD1 4.11Å; F162-Y180 HydrophobicContact CE1-CE1 4.42Å; F162-Y180 AromaticContact CE2-CD1 3.83Å; F162-Y180 HydrophobicContact CE2-CD1 3.83Å; F162-Y180 AromaticContact CE2-CE1 3.4Å; F162-Y180 HydrophobicContact CE2-CE1 3.4Å; F162-Y180 VanDerWaalsContact CE2-CE1 3.4Å; F162-Y180 HydrophobicContact CG-CD1 4.46Å; F162-Y180 AromaticContact CZ-CD1 3.8Å; F162-Y180 HydrophobicContact CZ-CD1 3.8Å; F162-Y180 AromaticContact CZ-CE1 3.66Å; F162-Y180 HydrophobicContact CZ-CE1 3.66Å; F162-A183 HydrophobicContact CB-CB 4.09Å; F162-A183 HydrophobicContact CD2-CB 4.19Å; F162-A183 HydrophobicContact CG-CB 4.18Å; F162-A206 HydrophobicContact CE1-CB 3.91Å; F162-A206 WeakPolarHBondContact CE1-O 3.4Å; F162-A206 HydrophobicContact CZ-CB 3.86Å
163Y97Very high97Very high20 Ų2021.1 Ų21.18%0.07813%0.125CC..  trans-71.7-13.3-170.360.5-92.7000114.5N19 R132 G252N19-Y163 HydrophobicContact CB-CD1 3.81Å; N19-Y163 HydrophobicContact CB-CE1 3.59Å; N19-Y163 PolarHBondContact ND2-OH 3.47Å; R132-Y163 HydrophobicContact CG-CD2 3.61Å; R132-Y163 HydrophobicContact CG-CE2 4.44Å; R132-Y163 HydrophobicContact CG-CG 4.41Å; Y163-G252 PolarHBondContact OH-O 3.48Å
164H98.2Very high97Very high1 Ų124.5 Ų24.51%0.00515%0.148CC..SBendtrans-124.2147.3176.3-82160.5000111.5E113 G116 D117 R132 F162 D166 T167E113-H164 WeakPolarHBondContact CB-NE2 3.4Å; E113-H164 IonicContact OE2-CE1 2.95Å; E113-H164 PolarHBondContact OE2-CE1 3.22Å; E113-H164 IonicContact OE2-NE2 2.68Å; E113-H164 PolarHBondContact OE2-NE2 2.92Å; G116-H164 WeakPolarHBondContact O-CB 3.48Å; D117-H164 VanDerWaalsContact CG-CD2 3.49Å; D117-H164 WeakPolarHBondContact OD1-CA 3.32Å; D117-H164 IonicContact OD1-CD2 3.61Å; D117-H164 PolarHBondContact OD1-CD2 2.98Å; D117-H164 IonicContact OD2-CD2 3.63Å; D117-H164 PolarHBondContact OD2-CD2 3.5Å; D117-H164 IonicContact OD2-NE2 2.65Å; R132-H164 VanDerWaalsContact CB-CD2 3.48Å; R132-H164 WeakPolarHBondContact CB-CD2 3.34Å; R132-H164 VanDerWaalsContact CB-NE2 3.28Å; R132-H164 WeakPolarHBondContact CB-NE2 3.39Å; R132-H164 WeakPolarHBondContact CG-NE2 3.48Å; F162-H164 PolarHBondContact O-N 2.65Å; H164-D166 VanDerWaalsContact C-N 3.3Å; H164-D166 VanDerWaalsContact CB-OD1 3.28Å; H164-D166 WeakPolarHBondContact CB-OD1 3.31Å; H164-D166 PolarHBondContact O-N 3.02Å; H164-T167 HydrophobicContact CB-CG2 4.26Å; H164-T167 PolarHBondContact O-N 3.2Å; H164-T167 VanDerWaalsContact O-N 3.16Å; H164-T167 PolarHBondContact O-OG1 3.02Å
165L98.4Very high97Very high0 Ų030.4 Ų30.40%017%0.171CC..G310 helixtrans-58.7-38.7177.3-178.763.5000113.1G116 D117 L119 I126 S128 V155 T167 T168 F169G116-L165 PolarHBondContact O-N 3.13Å; D117-L165 PolarHBondContact OD1-N 3.03Å; L119-L165 HydrophobicContact CB-CD2 4.18Å; L119-L165 HydrophobicContact CD1-CD2 4.17Å; L119-L165 HydrophobicContact CD1-CG 4.07Å; L119-L165 HydrophobicContact CG-CD2 4.13Å; L119-L165 HydrophobicContact CG-CG 4.5Å; I126-L165 HydrophobicContact CB-CD2 4.21Å; I126-L165 HydrophobicContact CG2-CD1 4.43Å; I126-L165 HydrophobicContact CG2-CD2 3.76Å; S128-L165 VanDerWaalsContact OG-CB 3.27Å; S128-L165 WeakPolarHBondContact OG-CB 3.4Å; V155-L165 HydrophobicContact CG2-CD1 4.14Å; L165-T167 PolarHBondContact O-N 2.85Å; L165-T167 VanDerWaalsContact O-N 3.08Å; L165-T168 PolarHBondContact O-N 2.75Å; L165-T168 PolarHBondContact O-OG1 2.8Å; L165-F169 HydrophobicContact CD1-CB 3.62Å; L165-F169 HydrophobicContact CD1-CD1 4.38Å; L165-F169 HydrophobicContact CD1-CG 4.22Å; L165-F169 HydrophobicContact CG-CB 4.09Å; L165-F169 HydrophobicContact CG-CD1 4.47Å; L165-F169 PolarHBondContact O-N 3.08Å
166D98.4Very high97.2Very high0 Ų030.9 Ų30.90%017%0.173CC..G310 helixtrans-66.9-7.7-179.176.9-22.9000113.8G116 L119 H164 C211 N212 K256 C257G116-D166 PolarHBondContact O-N 3.36Å; L119-D166 HydrophobicContact CD1-CB 4.25Å; H164-D166 VanDerWaalsContact C-N 3.3Å; H164-D166 VanDerWaalsContact CB-OD1 3.28Å; H164-D166 WeakPolarHBondContact CB-OD1 3.31Å; H164-D166 PolarHBondContact O-N 3.02Å; D166-C211 CarbonylContact O-C 3.18Å; D166-N212 WeakPolarHBondContact O-CA 3.13Å; D166-N212 PolarHBondContact O-N 3.02Å; D166-N212 PolarHBondContact O-ND2 2.88Å; D166-N212 PolarHBondContact OD2-ND2 2.91Å; D166-K256 HydrophobicContact CB-CG 4.02Å; D166-C257 PolarHBondContact OD2-SG 2.98Å
167T98.2Very high97.4Very high0 Ų030.1 Ų30.10%017%0.165CC..G310 helixtrans-90-13.6170.971.10000112.8F162 H164 L165 F209 C211F162-T167 WeakPolarHBondContact CA-OG1 3.48Å; F162-T167 WeakPolarHBondContact CB-OG1 3.46Å; H164-T167 HydrophobicContact CB-CG2 4.26Å; H164-T167 PolarHBondContact O-N 3.2Å; H164-T167 VanDerWaalsContact O-N 3.16Å; H164-T167 PolarHBondContact O-OG1 3.02Å; L165-T167 PolarHBondContact O-N 2.85Å; L165-T167 VanDerWaalsContact O-N 3.08Å; T167-F209 HydrophobicContact CG2-CD1 4.14Å; T167-F209 HydrophobicContact CG2-CE1 3.6Å; T167-F209 HydrophobicContact CG2-CZ 4.24Å; T167-C211 WeakPolarHBondContact O-CB 3.39Å
168T98.1Very high97.6Very high0 Ų029.6 Ų29.60%016%0.162CC..THydrogen-bonded Turntrans-123.1-15.3-175.171.10000113.9L157 F162 L165 W179 Y180 A183 H184 C211L157-T168 HydrophobicContact CD2-CG2 4.34Å; F162-T168 HydrophobicContact CB-CG2 3.33Å; F162-T168 HydrophobicContact CD1-CG2 3.84Å; F162-T168 HydrophobicContact CG-CG2 3.77Å; L165-T168 PolarHBondContact O-N 2.75Å; L165-T168 PolarHBondContact O-OG1 2.8Å; T168-W179 CarbonylContact O-C 3.6Å; T168-W179 WeakPolarHBondContact O-CA 3.48Å; T168-Y180 PolarHBondContact O-N 3.37Å; T168-A183 HydrophobicContact CG2-CB 3.41Å; T168-A183 VanDerWaalsContact CG2-CB 3.41Å; T168-H184 WeakPolarHBondContact CB-NE2 3.42Å; T168-H184 PolarHBondContact OG1-CE1 2.99Å; T168-H184 PolarHBondContact OG1-NE2 3.31Å; T168-C211 PolarHBondContact O-SG 3.35Å; T168-C211 VanDerWaalsContact O-SG 3.33Å
169F98.3Very high97.7Very high0 Ų024.7 Ų24.70%014%0.137CC..EExtended strand (participates in β ladder)trans-147130-171.5-175.3-100.6000111L119 L121 I126 L165 P171 A177 W179 L192 L198L119-F169 HydrophobicContact CD1-CD1 4.19Å; L119-F169 WeakPolarHBondContact CD1-O 3.34Å; L121-F169 HydrophobicContact CD2-CZ 4.29Å; I126-F169 HydrophobicContact CD1-CD1 4.31Å; I126-F169 HydrophobicContact CD1-CE1 3.36Å; I126-F169 HydrophobicContact CD1-CZ 3.55Å; L165-F169 HydrophobicContact CD1-CB 3.62Å; L165-F169 HydrophobicContact CD1-CD1 4.38Å; L165-F169 HydrophobicContact CD1-CG 4.22Å; L165-F169 HydrophobicContact CG-CB 4.09Å; L165-F169 HydrophobicContact CG-CD1 4.47Å; L165-F169 PolarHBondContact O-N 3.08Å; F169-P171 HydrophobicContact CD1-CG 4.12Å; F169-P171 HydrophobicContact CE1-CG 3.55Å; F169-P171 HydrophobicContact CZ-CG 4.36Å; F169-A177 HydrophobicContact CD2-CB 4.31Å; F169-A177 HydrophobicContact CE1-CB 4.35Å; F169-A177 HydrophobicContact CE2-CB 3.48Å; F169-A177 VanDerWaalsContact CE2-CB 3.48Å; F169-A177 HydrophobicContact CZ-CB 3.5Å; F169-A177 VanDerWaalsContact CZ-CB 3.5Å; F169-W179 HydrophobicContact CD2-CB 3.65Å; F169-W179 HydrophobicContact CE2-CB 4.35Å; F169-L192 HydrophobicContact CD2-CD1 4.33Å; F169-L192 HydrophobicContact CE2-CD1 4.09Å; F169-L198 HydrophobicContact CE2-CD2 4.02Å
170A98.6Very high97.9Very high5 Ų523.3 Ų23.34%0.04113%0.129CC..EExtended strand (participates in β ladder)trans-135.3106.9176.500000110.9L172 A177 I178 C211 A213A170-L172 PolarHBondContact O-N 3.37Å; A170-A177 VanDerWaalsContact O-CA 3.26Å; A170-A177 WeakPolarHBondContact O-CA 3.2Å; A170-A177 WeakPolarHBondContact O-CB 3.02Å; A170-I178 HydrophobicContact CB-CD1 3.82Å; A170-I178 HydrophobicContact CB-CG1 3.47Å; A170-I178 VanDerWaalsContact CB-CG1 3.47Å; A170-I178 PolarHBondContact N-O 3.17Å; A170-I178 PolarHBondContact O-N 3.42Å; A170-C211 WeakPolarHBondContact CB-O 3.5Å; A170-A213 HydrophobicContact CB-CB 4.14Å
171P98.3Very high97.9Very high25 Ų2523 Ų2316%0.16212%0.123CC..EExtended strand (participates in β ladder)trans-60.1125.2166.8-22.533.4000111L119 F120 L121 F169 V215L119-P171 HydrophobicContact CB-CG 4.14Å; F120-P171 WeakPolarHBondContact O-CB 3.49Å; F120-P171 VanDerWaalsContact O-CG 3.27Å; F120-P171 WeakPolarHBondContact O-CG 3.47Å; L121-P171 HydrophobicContact CD1-CB 4.12Å; F169-P171 HydrophobicContact CD1-CG 4.12Å; F169-P171 HydrophobicContact CE1-CG 3.55Å; F169-P171 HydrophobicContact CZ-CG 4.36Å; P171-V215 WeakPolarHBondContact O-CG2 3.15Å
172L98.5Very high97.9Very high9 Ų926.3 Ų26.35%0.04714%0.137CC..EExtended strand (participates in β ladder)trans-98.9-33.5174.5-55.1-177.3000111.2A170 L176 I178 V215 V220 I233 F238A170-L172 PolarHBondContact O-N 3.37Å; L172-L176 HydrophobicContact CB-CD2 4.19Å; L172-L176 HydrophobicContact CB-CG 4.29Å; L172-L176 HydrophobicContact CD1-CD2 4.06Å; L172-L176 HydrophobicContact CD1-CG 4.25Å; L172-L176 PolarHBondContact N-O 3.13Å; L172-I178 HydrophobicContact CD1-CG2 3.93Å; L172-I178 HydrophobicContact CD2-CG1 4.42Å; L172-V215 HydrophobicContact CD2-CG2 4Å; L172-V220 HydrophobicContact CD2-CG1 4.06Å; L172-V220 HydrophobicContact CD2-CG2 4Å; L172-I233 HydrophobicContact CD1-CD1 4.34Å; L172-I233 HydrophobicContact CD1-CG1 3.8Å; L172-I233 HydrophobicContact CD1-CG2 4.28Å; L172-F238 HydrophobicContact CB-CE1 4.31Å; L172-F238 HydrophobicContact CB-CE2 4.27Å; L172-F238 HydrophobicContact CB-CZ 3.95Å
173S97.9Very high97.8Very high44 Ų4426.3 Ų26.331%0.30814%0.137SC..EExtended strand (participates in β ladder)trans-151.1175.7174.583.40000109.8L121 K175 L176L121-S173 WeakPolarHBondContact CD1-O 3.44Å; S173-K175 PolarHBondContact O-N 2.87Å; S173-K175 PolarHBondContact OG-N 3.42Å; S173-L176 PolarHBondContact N-O 2.93Å; S173-L176 VanDerWaalsContact N-O 3.11Å; S173-L176 PolarHBondContact O-N 3.13Å; S173-L176 WeakPolarHBondContact OG-CB 3.5Å; S173-L176 PolarHBondContact OG-N 2.68Å
174P97.2Very high97.7Very high86 Ų8625.8 Ų25.856%0.55814%0.135SC*.THydrogen-bonded Turntrans-55.8-18.4178.4-28.837.2000115.8
175K97.2Very high97.3Very high157 Ų15727.5 Ų27.568%0.68315%0.147SC*.THydrogen-bonded Turntrans-133.114.6-177-65.2-172.6176.9-178.30113.9S173 A196 E197S173-K175 PolarHBondContact O-N 2.87Å; S173-K175 PolarHBondContact OG-N 3.42Å; K175-A196 VanDerWaalsContact C-CB 3.47Å; K175-A196 WeakPolarHBondContact O-CA 3.4Å; K175-A196 WeakPolarHBondContact O-CB 3.35Å; K175-E197 PolarHBondContact O-N 2.78Å
176L98.3Very high96.8Very high12 Ų1231.2 Ų31.26%0.06318%0.178CC..EExtended strand (participates in β ladder)trans-140.5132.7-179.1-179.668.1000110.3L172 S173 E197 I199 R236 F238L172-L176 HydrophobicContact CB-CD2 4.19Å; L172-L176 HydrophobicContact CB-CG 4.29Å; L172-L176 HydrophobicContact CD1-CD2 4.06Å; L172-L176 HydrophobicContact CD1-CG 4.25Å; L172-L176 PolarHBondContact N-O 3.13Å; S173-L176 PolarHBondContact N-O 2.93Å; S173-L176 VanDerWaalsContact N-O 3.11Å; S173-L176 PolarHBondContact O-N 3.13Å; S173-L176 WeakPolarHBondContact OG-CB 3.5Å; S173-L176 PolarHBondContact OG-N 2.68Å; L176-E197 WeakPolarHBondContact CA-O 3.21Å; L176-E197 HydrophobicContact CD1-CB 3.79Å; L176-E197 HydrophobicContact CD1-CG 3.81Å; L176-I199 HydrophobicContact CD1-CD1 4.05Å; L176-I199 HydrophobicContact CD1-CG1 4.06Å; L176-R236 HydrophobicContact CD2-CB 4.16Å; L176-R236 HydrophobicContact CD2-CG 4.45Å; L176-F238 HydrophobicContact CD2-CD2 4.46Å; L176-F238 HydrophobicContact CD2-CE2 3.68Å; L176-F238 HydrophobicContact CD2-CZ 4.43Å
177A98.6Very high96.5Very high0 Ų037.7 Ų37.70%021%0.206CC..EExtended strand (participates in β ladder)trans-142.2153.1172.500000111.6L121 F169 A170 E197 L198 I199L121-A177 HydrophobicContact CD1-CB 4.45Å; F169-A177 HydrophobicContact CD2-CB 4.31Å; F169-A177 HydrophobicContact CE1-CB 4.35Å; F169-A177 HydrophobicContact CE2-CB 3.48Å; F169-A177 VanDerWaalsContact CE2-CB 3.48Å; F169-A177 HydrophobicContact CZ-CB 3.5Å; F169-A177 VanDerWaalsContact CZ-CB 3.5Å; A170-A177 VanDerWaalsContact O-CA 3.26Å; A170-A177 WeakPolarHBondContact O-CA 3.2Å; A170-A177 WeakPolarHBondContact O-CB 3.02Å; A177-E197 PolarHBondContact N-O 3.4Å; A177-L198 HydrophobicContact CB-CD2 4.13Å; A177-L198 WeakPolarHBondContact O-CA 3.02Å; A177-I199 PolarHBondContact O-N 3.2Å
178I98.7Very high96Very high0 Ų037.8 Ų37.80%021%0.206CC..EExtended strand (participates in β ladder)trans-92.6146.9160.655.2168.5000108.8A170 L172 I199 V201 A210 V229 I233A170-I178 HydrophobicContact CB-CD1 3.82Å; A170-I178 HydrophobicContact CB-CG1 3.47Å; A170-I178 VanDerWaalsContact CB-CG1 3.47Å; A170-I178 PolarHBondContact N-O 3.17Å; A170-I178 PolarHBondContact O-N 3.42Å; L172-I178 HydrophobicContact CD1-CG2 3.93Å; L172-I178 HydrophobicContact CD2-CG1 4.42Å; I178-I199 WeakPolarHBondContact CA-O 3.32Å; I178-I199 HydrophobicContact CG2-CB 3.85Å; I178-I199 HydrophobicContact CG2-CD1 4.03Å; I178-I199 HydrophobicContact CG2-CG1 4.45Å; I178-I199 HydrophobicContact CG2-CG2 4.22Å; I178-V201 HydrophobicContact CB-CG2 3.95Å; I178-A210 WeakPolarHBondContact CD1-O 3.45Å; I178-V229 HydrophobicContact CB-CG2 4.15Å; I178-V229 HydrophobicContact CD1-CG2 4.11Å; I178-V229 HydrophobicContact CG2-CG2 3.57Å; I178-I233 HydrophobicContact CD1-CD1 4.25Å; I178-I233 HydrophobicContact CG2-CD1 4.07Å; I178-I233 HydrophobicContact CG2-CG1 3.9Å
179W98.2Very high95.6Very high3 Ų341.4 Ų41.41%0.01122%0.222CC..EExtended strand (participates in β ladder)trans-156.9155.3178.881.6-37.7000113.9T168 F169 P181 H184 F189 L192 L198 I199 D200 V201T168-W179 CarbonylContact O-C 3.6Å; T168-W179 WeakPolarHBondContact O-CA 3.48Å; F169-W179 HydrophobicContact CD2-CB 3.65Å; F169-W179 HydrophobicContact CE2-CB 4.35Å; W179-P181 HydrophobicContact CH2-CB 3.92Å; W179-P181 HydrophobicContact CZ2-CB 3.53Å; W179-P181 WeakPolarHBondContact O-CD 3.07Å; W179-H184 AromaticContact CE3-CD2 3.52Å; W179-H184 HydrophobicContact CZ3-CB 3.84Å; W179-H184 AromaticContact CZ3-CD2 3.69Å; W179-H184 AromaticContact CZ3-CG 3.94Å; W179-F189 HydrophobicContact CH2-CB 3.71Å; W179-F189 AromaticContact CH2-CD2 3.16Å; W179-F189 HydrophobicContact CH2-CD2 3.16Å; W179-F189 HydrophobicContact CH2-CE2 4.01Å; W179-F189 AromaticContact CH2-CG 3.8Å; W179-F189 HydrophobicContact CH2-CG 3.8Å; W179-F189 AromaticContact CZ2-CD2 3.13Å; W179-F189 HydrophobicContact CZ2-CD2 3.13Å; W179-F189 AromaticContact CZ2-CE2 3.48Å; W179-F189 HydrophobicContact CZ2-CE2 3.48Å; W179-F189 VanDerWaalsContact CZ2-CE2 3.48Å; W179-F189 HydrophobicContact CZ2-CG 4.14Å; W179-F189 HydrophobicContact CZ3-CB 4.44Å; W179-F189 HydrophobicContact CZ3-CD2 4.26Å; W179-L192 HydrophobicContact CE3-CD1 4.2Å; W179-L192 HydrophobicContact CZ3-CD1 4.39Å; W179-L198 HydrophobicContact CD2-CD1 4.01Å; W179-L198 HydrophobicContact CE3-CD1 4.39Å; W179-L198 HydrophobicContact CG-CB 4.35Å; W179-L198 HydrophobicContact CZ2-CD1 4.13Å; W179-I199 PolarHBondContact N-O 3.42Å; W179-D200 PolarHBondContact NE1-OD1 3.13Å; W179-D200 CarbonylContact O-C 3.38Å; W179-V201 WeakPolarHBondContact O-CB 3.28Å; W179-V201 PolarHBondContact O-N 3.42Å
180Y98.1Very high95.2Very high10 Ų1049 Ų494%0.03926%0.255CS..  trans-100101.8173.8177.8-134.7000110.3F162 T168 K182 A183 H184 V201 S203 A206F162-Y180 HydrophobicContact CD1-CD1 4.43Å; F162-Y180 HydrophobicContact CD2-CD1 4.16Å; F162-Y180 AromaticContact CD2-CE1 3.98Å; F162-Y180 HydrophobicContact CD2-CE1 3.98Å; F162-Y180 HydrophobicContact CE1-CD1 4.11Å; F162-Y180 HydrophobicContact CE1-CE1 4.42Å; F162-Y180 AromaticContact CE2-CD1 3.83Å; F162-Y180 HydrophobicContact CE2-CD1 3.83Å; F162-Y180 AromaticContact CE2-CE1 3.4Å; F162-Y180 HydrophobicContact CE2-CE1 3.4Å; F162-Y180 VanDerWaalsContact CE2-CE1 3.4Å; F162-Y180 HydrophobicContact CG-CD1 4.46Å; F162-Y180 AromaticContact CZ-CD1 3.8Å; F162-Y180 HydrophobicContact CZ-CD1 3.8Å; F162-Y180 AromaticContact CZ-CE1 3.66Å; F162-Y180 HydrophobicContact CZ-CE1 3.66Å; T168-Y180 PolarHBondContact O-N 3.37Å; Y180-K182 VanDerWaalsContact C-N 3.27Å; Y180-K182 HydrophobicContact CE1-CB 4.05Å; Y180-K182 HydrophobicContact CE2-CB 3.83Å; Y180-K182 HydrophobicContact CE2-CD 4.03Å; Y180-K182 HydrophobicContact CE2-CG 4.04Å; Y180-K182 PolarHBondContact O-N 2.84Å; Y180-K182 VanDerWaalsContact O-N 3.17Å; Y180-K182 WeakPolarHBondContact OH-CD 3.22Å; Y180-A183 HydrophobicContact CD1-CB 3.67Å; Y180-A183 HydrophobicContact CE1-CB 4.16Å; Y180-A183 PolarHBondContact O-N 2.86Å; Y180-H184 PolarHBondContact O-CD2 3.39Å; Y180-V201 WeakPolarHBondContact CD2-O 3.49Å; Y180-S203 PolarHBondContact OH-OG 3.43Å; Y180-A206 HydrophobicContact CD1-CB 3.73Å; Y180-A206 HydrophobicContact CD2-CB 3.7Å; Y180-A206 HydrophobicContact CE1-CB 4.16Å; Y180-A206 HydrophobicContact CE2-CB 4.13Å; Y180-A206 HydrophobicContact CG-CB 3.48Å; Y180-A206 VanDerWaalsContact CG-CB 3.48Å
181P95.8Very high94.9Very high39 Ų3951.4 Ų51.425%0.25327%0.266SS..G310 helixtrans-61.7-31.1-169.320.5-33.2000114.2W179 A183 H184 D200W179-P181 HydrophobicContact CH2-CB 3.92Å; W179-P181 HydrophobicContact CZ2-CB 3.53Å; W179-P181 WeakPolarHBondContact O-CD 3.07Å; P181-A183 VanDerWaalsContact C-N 3.26Å; P181-A183 PolarHBondContact O-N 2.95Å; P181-H184 PolarHBondContact O-N 2.88Å; P181-D200 HydrophobicContact CG-CB 4.48Å
182K96.4Very high94.6Very high142 Ų14250.2 Ų50.262%0.61726%0.258SS*.G310 helixtrans-76.4-10.5-174.1-59.1178.8177.3177.20113.8Y180 H184Y180-K182 VanDerWaalsContact C-N 3.27Å; Y180-K182 HydrophobicContact CE1-CB 4.05Å; Y180-K182 HydrophobicContact CE2-CB 3.83Å; Y180-K182 HydrophobicContact CE2-CD 4.03Å; Y180-K182 HydrophobicContact CE2-CG 4.04Å; Y180-K182 PolarHBondContact O-N 2.84Å; Y180-K182 VanDerWaalsContact O-N 3.17Å; Y180-K182 WeakPolarHBondContact OH-CD 3.22Å; K182-H184 VanDerWaalsContact C-N 3.33Å
183A96.1Very high94.2Very high0 Ų056.2 Ų56.20%028%0.284CS..G310 helixtrans-89.40.2173.100000113.4I158 F162 T168 Y180 P181I158-A183 PolarHBondContact N-O 2.89Å; I158-A183 VanDerWaalsContact N-O 3.14Å; F162-A183 HydrophobicContact CB-CB 4.09Å; F162-A183 HydrophobicContact CD2-CB 4.19Å; F162-A183 HydrophobicContact CG-CB 4.18Å; T168-A183 HydrophobicContact CG2-CB 3.41Å; T168-A183 VanDerWaalsContact CG2-CB 3.41Å; Y180-A183 HydrophobicContact CD1-CB 3.67Å; Y180-A183 HydrophobicContact CE1-CB 4.16Å; Y180-A183 PolarHBondContact O-N 2.86Å; P181-A183 VanDerWaalsContact C-N 3.26Å; P181-A183 PolarHBondContact O-N 2.95Å
184H94.3Very high94Very high8 Ų858.7 Ų58.74%0.03730%0.301CS..BIsolated β-bridgetrans-122.4153.4-176.5-65.7-71.4000112.9T168 W179 Y180 P181 K182 T188T168-H184 WeakPolarHBondContact CB-NE2 3.42Å; T168-H184 PolarHBondContact OG1-CE1 2.99Å; T168-H184 PolarHBondContact OG1-NE2 3.31Å; W179-H184 AromaticContact CE3-CD2 3.52Å; W179-H184 HydrophobicContact CZ3-CB 3.84Å; W179-H184 AromaticContact CZ3-CD2 3.69Å; W179-H184 AromaticContact CZ3-CG 3.94Å; Y180-H184 PolarHBondContact O-CD2 3.39Å; P181-H184 PolarHBondContact O-N 2.88Å; K182-H184 VanDerWaalsContact C-N 3.33Å; H184-T188 HydrophobicContact CB-CG2 3.92Å
185S90Very high93.8Very high38 Ų3859.7 Ų59.727%0.26629%0.294SS..  trans-70.6157.8173.679.60000112.7K187 T188 F189S185-K187 PolarHBondContact O-N 2.86Å; S185-K187 PolarHBondContact OG-N 3.49Å; S185-T188 WeakPolarHBondContact O-CB 3.4Å; S185-T188 PolarHBondContact O-N 3.45Å; S185-T188 VanDerWaalsContact O-N 3.17Å; S185-T188 PolarHBondContact OG-N 3.13Å; S185-T188 VanDerWaalsContact OG-N 3.12Å; S185-T188 PolarHBondContact OG-OG1 3.08Å; S185-F189 PolarHBondContact O-N 3.36Å; S185-F189 VanDerWaalsContact O-N 3.11Å
186A88.8Confident93.8Very high78 Ų7852.8 Ų52.865%0.64527%0.265SS*.Hα-helixtrans-61.5-26.4173.300000113.4K190A186-K190 WeakPolarHBondContact O-CG 3.43Å; A186-K190 PolarHBondContact O-N 2.77Å
187K90.6Very high93.7Very high135 Ų13556.8 Ų56.859%0.58728%0.284SS*.Hα-helixtrans-67.1-50.9173.6-179.4-170.6169.7-164.20110.2S185 F189 K190 E191S185-K187 PolarHBondContact O-N 2.86Å; S185-K187 PolarHBondContact OG-N 3.49Å; K187-F189 VanDerWaalsContact C-N 3.28Å; K187-F189 PolarHBondContact O-N 2.98Å; K187-K190 PolarHBondContact O-N 2.92Å; K187-K190 VanDerWaalsContact O-N 3.1Å; K187-E191 WeakPolarHBondContact CE-OE1 3.31Å; K187-E191 IonicContact NZ-OE1 2.68Å; K187-E191 PolarHBondContact O-N 3.2Å; K187-E191 VanDerWaalsContact O-N 3.15Å
188T89.2Confident93.7Very high3 Ų358.1 Ų58.12%0.01829%0.291CS..Hα-helixtrans-54.1-44177.1-59.90000111.8V155 H184 S185 K190 E191 L192V155-T188 HydrophobicContact CB-CG2 3.71Å; V155-T188 HydrophobicContact CG1-CG2 3.56Å; H184-T188 HydrophobicContact CB-CG2 3.92Å; S185-T188 WeakPolarHBondContact O-CB 3.4Å; S185-T188 PolarHBondContact O-N 3.45Å; S185-T188 VanDerWaalsContact O-N 3.17Å; S185-T188 PolarHBondContact OG-N 3.13Å; S185-T188 VanDerWaalsContact OG-N 3.12Å; S185-T188 PolarHBondContact OG-OG1 3.08Å; T188-K190 PolarHBondContact O-N 2.97Å; T188-E191 PolarHBondContact O-N 3.16Å; T188-L192 HydrophobicContact CG2-CD1 3.76Å; T188-L192 HydrophobicContact CG2-CG 4.29Å; T188-L192 WeakPolarHBondContact O-CG 3.33Å; T188-L192 PolarHBondContact O-N 2.94Å
189F88.4Confident93.7Very high76 Ų7658.7 Ų58.733%0.33329%0.294SS..Hα-helixtrans-56.8-48.8176.6177.9-127.4000112.8W179 S185 K187 E191 L192 K193 L198W179-F189 HydrophobicContact CH2-CB 3.71Å; W179-F189 AromaticContact CH2-CD2 3.16Å; W179-F189 HydrophobicContact CH2-CD2 3.16Å; W179-F189 HydrophobicContact CH2-CE2 4.01Å; W179-F189 AromaticContact CH2-CG 3.8Å; W179-F189 HydrophobicContact CH2-CG 3.8Å; W179-F189 AromaticContact CZ2-CD2 3.13Å; W179-F189 HydrophobicContact CZ2-CD2 3.13Å; W179-F189 AromaticContact CZ2-CE2 3.48Å; W179-F189 HydrophobicContact CZ2-CE2 3.48Å; W179-F189 VanDerWaalsContact CZ2-CE2 3.48Å; W179-F189 HydrophobicContact CZ2-CG 4.14Å; W179-F189 HydrophobicContact CZ3-CB 4.44Å; W179-F189 HydrophobicContact CZ3-CD2 4.26Å; S185-F189 PolarHBondContact O-N 3.36Å; S185-F189 VanDerWaalsContact O-N 3.11Å; K187-F189 VanDerWaalsContact C-N 3.28Å; K187-F189 PolarHBondContact O-N 2.98Å; F189-E191 VanDerWaalsContact C-N 3.3Å; F189-E191 PolarHBondContact O-N 2.87Å; F189-L192 PolarHBondContact O-N 2.61Å; F189-K193 HydrophobicContact CD2-CB 4.43Å; F189-K193 HydrophobicContact CE1-CD 4.11Å; F189-K193 HydrophobicContact CE2-CB 4.33Å; F189-K193 HydrophobicContact CE2-CD 3.93Å; F189-K193 HydrophobicContact CZ-CD 3.62Å; F189-K193 WeakPolarHBondContact O-CB 3.44Å; F189-K193 PolarHBondContact O-N 3.4Å; F189-L198 HydrophobicContact CD2-CD1 4.29Å; F189-L198 HydrophobicContact CE2-CD1 4.43Å
190K90.8Very high93.7Very high160 Ų16063.4 Ų63.470%0.69632%0.319SS*.Hα-helixtrans-61.4-41.9-178.6-71.6177.7-179.7-179.40111.3A186 K187 T188 S194A186-K190 WeakPolarHBondContact O-CG 3.43Å; A186-K190 PolarHBondContact O-N 2.77Å; K187-K190 PolarHBondContact O-N 2.92Å; K187-K190 VanDerWaalsContact O-N 3.1Å; T188-K190 PolarHBondContact O-N 2.97Å; K190-S194 PolarHBondContact O-N 3.46Å
191E91.1Very high93.7Very high55 Ų5563.2 Ų63.226%0.25732%0.319SS..Hα-helixtrans-66.4-49179.7-70.2169156.400111.4L153 K187 T188 F189 S194L153-E191 HydrophobicContact CD1-CB 4.11Å; L153-E191 HydrophobicContact CD1-CG 4.29Å; L153-E191 WeakPolarHBondContact CD1-OE2 3.44Å; L153-E191 HydrophobicContact CD2-CB 3.93Å; K187-E191 WeakPolarHBondContact CE-OE1 3.31Å; K187-E191 IonicContact NZ-OE1 2.68Å; K187-E191 PolarHBondContact O-N 3.2Å; K187-E191 VanDerWaalsContact O-N 3.15Å; T188-E191 PolarHBondContact O-N 3.16Å; F189-E191 VanDerWaalsContact C-N 3.3Å; F189-E191 PolarHBondContact O-N 2.87Å; E191-S194 PolarHBondContact O-N 2.67Å; E191-S194 PolarHBondContact O-OG 3.26Å
192L92Very high93.8Very high0 Ų062.9 Ų62.90%032%0.318CS..Hα-helixtrans-67.7-42.9-178.8-68.1176.9000112.8I126 L153 F169 W179 T188 F189 S194 R195 A196 L198I126-L192 HydrophobicContact CD1-CD2 3.49Å; I126-L192 VanDerWaalsContact CD1-CD2 3.49Å; I126-L192 HydrophobicContact CG1-CD2 4.08Å; L153-L192 HydrophobicContact CD2-CD2 3.78Å; L153-L192 HydrophobicContact CD2-CG 4.36Å; F169-L192 HydrophobicContact CD2-CD1 4.33Å; F169-L192 HydrophobicContact CE2-CD1 4.09Å; W179-L192 HydrophobicContact CE3-CD1 4.2Å; W179-L192 HydrophobicContact CZ3-CD1 4.39Å; T188-L192 HydrophobicContact CG2-CD1 3.76Å; T188-L192 HydrophobicContact CG2-CG 4.29Å; T188-L192 WeakPolarHBondContact O-CG 3.33Å; T188-L192 PolarHBondContact O-N 2.94Å; F189-L192 PolarHBondContact O-N 2.61Å; L192-S194 PolarHBondContact O-N 3.21Å; L192-R195 PolarHBondContact O-N 3.42Å; L192-A196 PolarHBondContact O-N 3.4Å; L192-A196 VanDerWaalsContact O-N 3.11Å; L192-L198 HydrophobicContact CB-CD1 3.81Å; L192-L198 HydrophobicContact CB-CD2 4.4Å
193K91.9Very high93.9Very high134 Ų13458 Ų5858%0.58330%0.302SS*.Hα-helixtrans-63-26.2-179.9-170.8177.2-175.2175.70113F189 R195 L198F189-K193 HydrophobicContact CD2-CB 4.43Å; F189-K193 HydrophobicContact CE1-CD 4.11Å; F189-K193 HydrophobicContact CE2-CB 4.33Å; F189-K193 HydrophobicContact CE2-CD 3.93Å; F189-K193 HydrophobicContact CZ-CD 3.62Å; F189-K193 WeakPolarHBondContact O-CB 3.44Å; F189-K193 PolarHBondContact O-N 3.4Å; K193-R195 PolarHBondContact O-N 2.81Å; K193-L198 HydrophobicContact CB-CD1 4.22Å
194S92.8Very high94Very high96 Ų9663.1 Ų63.167%0.67133%0.329SS*.THydrogen-bonded Turntrans-74.9-11.4174.571.40000114.1K190 E191 L192K190-S194 PolarHBondContact O-N 3.46Å; E191-S194 PolarHBondContact O-N 2.67Å; E191-S194 PolarHBondContact O-OG 3.26Å; L192-S194 PolarHBondContact O-N 3.21Å
195R93.2Very high94.2Very high108 Ų10862.9 Ų62.941%0.40833%0.328SS..THydrogen-bonded Turntrans-113.8-29.4-172.9-62.4-173.8179.9-115.64.9113.8L124 D151 L192 K193L124-R195 VanDerWaalsContact CD2-CD 3.4Å; D151-R195 IonicContact OD2-NH1 3.13Å; L192-R195 PolarHBondContact O-N 3.42Å; K193-R195 PolarHBondContact O-N 2.81Å
196A96.5Very high94.6Very high11 Ų1161 Ų619%0.09132%0.315CS..SBendtrans-148.1159.8-17900000112.1L121 K175 L192L121-A196 HydrophobicContact CD1-CB 4.15Å; L121-A196 HydrophobicContact CD2-CB 3.78Å; L121-A196 HydrophobicContact CG-CB 4.41Å; K175-A196 VanDerWaalsContact C-CB 3.47Å; K175-A196 WeakPolarHBondContact O-CA 3.4Å; K175-A196 WeakPolarHBondContact O-CB 3.35Å; L192-A196 PolarHBondContact O-N 3.4Å; L192-A196 VanDerWaalsContact O-N 3.11Å
197E97.6Very high95.1Very high96 Ų9660.1 Ų60.145%0.44930%0.297SS..EExtended strand (participates in β ladder)trans-66.9131.7160-176.4-175.1162.200109.3K175 L176 A177 R236K175-E197 PolarHBondContact O-N 2.78Å; L176-E197 WeakPolarHBondContact CA-O 3.21Å; L176-E197 HydrophobicContact CD1-CB 3.79Å; L176-E197 HydrophobicContact CD1-CG 3.81Å; A177-E197 PolarHBondContact N-O 3.4Å; E197-R236 IonicContact OE1-CZ 3.99Å; E197-R236 IonicContact OE1-NE 2.78Å; E197-R236 PolarHBondContact OE1-NE 3.05Å; E197-R236 IonicContact OE1-NH2 2.69Å; E197-R236 PolarHBondContact OE1-NH2 2.92Å
198L97.7Very high95.4Very high28 Ų2857.9 Ų57.915%0.14729%0.285CS..EExtended strand (participates in β ladder)trans-115.8122.6178.5-57.4-180000109.4F169 A177 W179 F189 L192 K193F169-L198 HydrophobicContact CE2-CD2 4.02Å; A177-L198 HydrophobicContact CB-CD2 4.13Å; A177-L198 WeakPolarHBondContact O-CA 3.02Å; W179-L198 HydrophobicContact CD2-CD1 4.01Å; W179-L198 HydrophobicContact CE3-CD1 4.39Å; W179-L198 HydrophobicContact CG-CB 4.35Å; W179-L198 HydrophobicContact CZ2-CD1 4.13Å; F189-L198 HydrophobicContact CD2-CD1 4.29Å; F189-L198 HydrophobicContact CE2-CD1 4.43Å; L192-L198 HydrophobicContact CB-CD1 3.81Å; L192-L198 HydrophobicContact CB-CD2 4.4Å; K193-L198 HydrophobicContact CB-CD1 4.22Å
199I98.1Very high95.9Very high13 Ų1357.8 Ų57.87%0.06728%0.284CS..EExtended strand (participates in β ladder)trans-94.8116.1172.6-54.6173.8000107.9L176 A177 I178 W179 V201 A232 R236L176-I199 HydrophobicContact CD1-CD1 4.05Å; L176-I199 HydrophobicContact CD1-CG1 4.06Å; A177-I199 PolarHBondContact O-N 3.2Å; I178-I199 WeakPolarHBondContact CA-O 3.32Å; I178-I199 HydrophobicContact CG2-CB 3.85Å; I178-I199 HydrophobicContact CG2-CD1 4.03Å; I178-I199 HydrophobicContact CG2-CG1 4.45Å; I178-I199 HydrophobicContact CG2-CG2 4.22Å; W179-I199 PolarHBondContact N-O 3.42Å; I199-V201 PolarHBondContact O-N 3.11Å; I199-A232 HydrophobicContact CD1-CB 4.47Å; I199-A232 HydrophobicContact CG2-CB 3.7Å; I199-R236 VanDerWaalsContact CD1-CD 3.49Å
200D98Very high96.3Very high102 Ų10254.1 Ų54.155%0.54527%0.269SS..EExtended strand (participates in β ladder)trans-66.9129.6177.6-70.80.6000110.9W179 P181W179-D200 PolarHBondContact NE1-OD1 3.13Å; W179-D200 CarbonylContact O-C 3.38Å; P181-D200 HydrophobicContact CG-CB 4.48Å
201V98.7Very high96.7Very high5 Ų546.6 Ų46.63%0.0324%0.236CC..PPolyproline II helixtrans-93.7134.3170.1177.40000108.3I178 W179 Y180 I199 E205 A206 A210 V229I178-V201 HydrophobicContact CB-CG2 3.95Å; W179-V201 WeakPolarHBondContact O-CB 3.28Å; W179-V201 PolarHBondContact O-N 3.42Å; Y180-V201 WeakPolarHBondContact CD2-O 3.49Å; I199-V201 PolarHBondContact O-N 3.11Å; V201-E205 HydrophobicContact CG1-CB 3.76Å; V201-A206 HydrophobicContact CG1-CB 4.14Å; V201-A210 HydrophobicContact CG1-CB 3.77Å; V201-V229 HydrophobicContact CG2-CB 4.45Å; V201-V229 HydrophobicContact CG2-CG2 3.84Å
202S98.4Very high97.1Very high33 Ų3344 Ų4423%0.23122%0.223CC..PPolyproline II helixtrans-66.5159.4177.875.40000111.2D204 E205 A206S202-D204 PolarHBondContact O-N 3.31Å; S202-E205 PolarHBondContact O-N 3.15Å; S202-E205 WeakPolarHBondContact OG-CG 3.21Å; S202-E205 PolarHBondContact OG-N 3.41Å; S202-A206 VanDerWaalsContact O-CB 3.32Å; S202-A206 WeakPolarHBondContact O-CB 3.1Å; S202-A206 PolarHBondContact O-N 3.1Å
203S98.2Very high97.4Very high40 Ų4044.3 Ų44.328%0.2823%0.227SC..Hα-helixtrans-56.7-42.7176.4-171.90000111.4Y180 A206 H207Y180-S203 PolarHBondContact OH-OG 3.43Å; S203-A206 PolarHBondContact O-N 2.77Å; S203-H207 PolarHBondContact O-N 3.08Å; S203-H207 PolarHBondContact O-ND1 3.29Å
204D98.3Very high97.7Very high107 Ų10738.1 Ų38.157%0.57220%0.2SC*.Hα-helixtrans-66.8-40.5-176.8-67.5-5.3000111.9S202 H207 R208S202-D204 PolarHBondContact O-N 3.31Å; D204-H207 PolarHBondContact O-N 3.32Å; D204-R208 PolarHBondContact O-N 3.42Å; D204-R208 PolarHBondContact O-NH1 3.43Å
205E98.7Very high98Very high2 Ų234.9 Ų34.91%0.00918%0.176CC..Hα-helixtrans-74.3-32.5176.7-70.1-168.5160.600112.4V201 S202 H207 R208 F209 A210 N226 P227 E228 V229V201-E205 HydrophobicContact CG1-CB 3.76Å; S202-E205 PolarHBondContact O-N 3.15Å; S202-E205 WeakPolarHBondContact OG-CG 3.21Å; S202-E205 PolarHBondContact OG-N 3.41Å; E205-H207 VanDerWaalsContact C-N 3.34Å; E205-R208 CarbonylContact O-C 3.59Å; E205-R208 WeakPolarHBondContact O-CA 3.48Å; E205-R208 PolarHBondContact O-N 3.12Å; E205-R208 VanDerWaalsContact O-N 3.11Å; E205-F209 PolarHBondContact O-N 2.62Å; E205-A210 HydrophobicContact CB-CB 3.95Å; E205-A210 VanDerWaalsContact O-CB 3.23Å; E205-A210 WeakPolarHBondContact O-CB 3.42Å; E205-A210 PolarHBondContact O-N 3.04Å; E205-N226 VanDerWaalsContact CA-OD1 3.31Å; E205-N226 WeakPolarHBondContact CA-OD1 3.39Å; E205-N226 HydrophobicContact CB-CB 4.46Å; E205-N226 WeakPolarHBondContact CB-OD1 3.42Å; E205-N226 HydrophobicContact CG-CB 4.16Å; E205-N226 WeakPolarHBondContact CG-OD1 3.34Å; E205-N226 PolarHBondContact O-OD1 2.68Å; E205-N226 WeakPolarHBondContact OE1-CA 3.23Å; E205-P227 WeakPolarHBondContact OE1-CD 3.42Å; E205-E228 WeakPolarHBondContact OE1-CB 3.32Å; E205-E228 PolarHBondContact OE1-N 3.32Å; E205-V229 VanDerWaalsContact OE2-CB 3.23Å; E205-V229 WeakPolarHBondContact OE2-CB 3.42Å; E205-V229 VanDerWaalsContact OE2-CG1 3.28Å; E205-V229 WeakPolarHBondContact OE2-CG1 3.39Å; E205-V229 PolarHBondContact OE2-N 2.9Å
206A98.5Very high98.2Very high0 Ų029.8 Ų29.80%016%0.157CC..Hα-helixtrans-61.9-42.6171.400000111.1F162 Y180 V201 S202 S203 R208 F209F162-A206 HydrophobicContact CE1-CB 3.91Å; F162-A206 WeakPolarHBondContact CE1-O 3.4Å; F162-A206 HydrophobicContact CZ-CB 3.86Å; Y180-A206 HydrophobicContact CD1-CB 3.73Å; Y180-A206 HydrophobicContact CD2-CB 3.7Å; Y180-A206 HydrophobicContact CE1-CB 4.16Å; Y180-A206 HydrophobicContact CE2-CB 4.13Å; Y180-A206 HydrophobicContact CG-CB 3.48Å; Y180-A206 VanDerWaalsContact CG-CB 3.48Å; V201-A206 HydrophobicContact CG1-CB 4.14Å; S202-A206 VanDerWaalsContact O-CB 3.32Å; S202-A206 WeakPolarHBondContact O-CB 3.1Å; S202-A206 PolarHBondContact O-N 3.1Å; S203-A206 PolarHBondContact O-N 2.77Å; A206-R208 PolarHBondContact O-N 3.17Å; A206-F209 WeakPolarHBondContact O-CA 3.44Å; A206-F209 PolarHBondContact O-N 3.32Å
207H97.9Very high98.2Very high58 Ų5834.3 Ų34.327%0.26918%0.18SC..Hα-helixtrans-68.6-16.4174.9-74.576.5000113.6W21 Q161 S203 D204 E205 F209W21-H207 HydrophobicContact CH2-CB 4.16Å; W21-H207 AromaticContact CH2-CD2 3.69Å; Q161-H207 PolarHBondContact NE2-NE2 2.96Å; S203-H207 PolarHBondContact O-N 3.08Å; S203-H207 PolarHBondContact O-ND1 3.29Å; D204-H207 PolarHBondContact O-N 3.32Å; E205-H207 VanDerWaalsContact C-N 3.34Å; H207-F209 VanDerWaalsContact C-N 3.33Å
208R98.1Very high98.3Very high89 Ų8935 Ų3534%0.33619%0.186SC..THydrogen-bonded Turntrans-95.615167.9-68.1-173.7-65.4-90.57.6112.7D204 E205 A206 A210 P223 G225 N226D204-R208 PolarHBondContact O-N 3.42Å; D204-R208 PolarHBondContact O-NH1 3.43Å; E205-R208 CarbonylContact O-C 3.59Å; E205-R208 WeakPolarHBondContact O-CA 3.48Å; E205-R208 PolarHBondContact O-N 3.12Å; E205-R208 VanDerWaalsContact O-N 3.11Å; A206-R208 PolarHBondContact O-N 3.17Å; R208-A210 VanDerWaalsContact C-N 3.3Å; R208-A210 PolarHBondContact O-N 3.44Å; R208-P223 WeakPolarHBondContact O-CB 3.39Å; R208-G225 PolarHBondContact NE-O 3.5Å; R208-G225 PolarHBondContact NH2-O 2.89Å; R208-N226 WeakPolarHBondContact CB-OD1 3.45Å; R208-N226 PolarHBondContact NE-OD1 3.05Å
209F98.3Very high98.3Very high0 Ų035.1 Ų35.10%019%0.187CC..THydrogen-bonded Turntrans6036174.6-77.9-127.1000113.4W21 T167 E205 A206 H207 C211 N212 P223 L249 G252W21-F209 HydrophobicContact CD2-CE2 4.05Å; W21-F209 HydrophobicContact CD2-CZ 4.3Å; W21-F209 AromaticContact CE2-CE2 3.62Å; W21-F209 AromaticContact CE2-CZ 3.89Å; W21-F209 HydrophobicContact CE3-CE2 4.41Å; W21-F209 HydrophobicContact CG-CZ 4.48Å; W21-F209 AromaticContact CH2-CE2 4Å; W21-F209 HydrophobicContact CH2-CE2 4Å; W21-F209 AromaticContact CZ2-CE2 3.62Å; W21-F209 HydrophobicContact CZ2-CE2 3.62Å; W21-F209 HydrophobicContact CZ2-CZ 4.28Å; W21-F209 HydrophobicContact CZ3-CE2 4.38Å; W21-F209 AromaticContact NE1-CE2 4Å; W21-F209 AromaticContact NE1-CZ 3.78Å; T167-F209 HydrophobicContact CG2-CD1 4.14Å; T167-F209 HydrophobicContact CG2-CE1 3.6Å; T167-F209 HydrophobicContact CG2-CZ 4.24Å; E205-F209 PolarHBondContact O-N 2.62Å; A206-F209 WeakPolarHBondContact O-CA 3.44Å; A206-F209 PolarHBondContact O-N 3.32Å; H207-F209 VanDerWaalsContact C-N 3.33Å; F209-C211 PolarHBondContact O-N 3.14Å; F209-C211 VanDerWaalsContact O-N 3.15Å; F209-N212 HydrophobicContact CB-CB 3.95Å; F209-N212 HydrophobicContact CD1-CB 4.05Å; F209-N212 WeakPolarHBondContact O-CB 3.39Å; F209-N212 PolarHBondContact O-N 3.37Å; F209-P223 HydrophobicContact CB-CG 4.03Å; F209-P223 WeakPolarHBondContact O-CD 3.28Å; F209-P223 WeakPolarHBondContact O-CG 3.48Å; F209-L249 HydrophobicContact CB-CD2 3.77Å; F209-L249 HydrophobicContact CD1-CD2 4.19Å; F209-L249 HydrophobicContact CD2-CD2 3.61Å; F209-L249 HydrophobicContact CE2-CD2 4.26Å; F209-L249 HydrophobicContact CG-CD2 3.58Å; F209-G252 WeakPolarHBondContact CE1-O 3.41Å
210A98.6Very high98.3Very high0 Ų034.5 Ų34.50%018%0.184CC..THydrogen-bonded Turntrans-53-35176.800000114I178 V201 E205 R208 N212 N226 V229I178-A210 WeakPolarHBondContact CD1-O 3.45Å; V201-A210 HydrophobicContact CG1-CB 3.77Å; E205-A210 HydrophobicContact CB-CB 3.95Å; E205-A210 VanDerWaalsContact O-CB 3.23Å; E205-A210 WeakPolarHBondContact O-CB 3.42Å; E205-A210 PolarHBondContact O-N 3.04Å; R208-A210 VanDerWaalsContact C-N 3.3Å; R208-A210 PolarHBondContact O-N 3.44Å; A210-N212 VanDerWaalsContact C-N 3.26Å; A210-N212 PolarHBondContact O-N 3.07Å; A210-N226 HydrophobicContact CB-CB 4.13Å; A210-V229 HydrophobicContact CB-CG1 3.96Å
211C98.7Very high98.4Very high1 Ų129.7 Ų29.71%0.00716%0.158CC..THydrogen-bonded Turntrans-74-13.8176.8-650000113.6D166 T167 T168 A170 F209 A213D166-C211 CarbonylContact O-C 3.18Å; T167-C211 WeakPolarHBondContact O-CB 3.39Å; T168-C211 PolarHBondContact O-SG 3.35Å; T168-C211 VanDerWaalsContact O-SG 3.33Å; A170-C211 WeakPolarHBondContact CB-O 3.5Å; F209-C211 PolarHBondContact O-N 3.14Å; F209-C211 VanDerWaalsContact O-N 3.15Å; C211-A213 PolarHBondContact O-N 2.83Å
212N98.8Very high98.4Very high0 Ų029.5 Ų29.50%016%0.157CC..  trans-81.664-178.7-155.7-100.3000111.3D166 F209 A210 G254 C255 K256 C257D166-N212 WeakPolarHBondContact O-CA 3.13Å; D166-N212 PolarHBondContact O-N 3.02Å; D166-N212 PolarHBondContact O-ND2 2.88Å; D166-N212 PolarHBondContact OD2-ND2 2.91Å; F209-N212 HydrophobicContact CB-CB 3.95Å; F209-N212 HydrophobicContact CD1-CB 4.05Å; F209-N212 WeakPolarHBondContact O-CB 3.39Å; F209-N212 PolarHBondContact O-N 3.37Å; A210-N212 VanDerWaalsContact C-N 3.26Å; A210-N212 PolarHBondContact O-N 3.07Å; N212-G254 WeakPolarHBondContact OD1-CA 3.18Å; N212-G254 PolarHBondContact OD1-N 2.88Å; N212-G254 PolarHBondContact OD1-O 3.36Å; N212-C255 WeakPolarHBondContact O-CB 3.47Å; N212-C255 PolarHBondContact O-N 3.26Å; N212-C255 PolarHBondContact OD1-N 3.34Å; N212-C255 VanDerWaalsContact OD1-N 3.13Å; N212-K256 HydrophobicContact CB-CB 4.47Å; N212-K256 PolarHBondContact O-N 3.32Å; N212-K256 VanDerWaalsContact O-N 3.15Å; N212-K256 WeakPolarHBondContact OD1-CA 3.48Å; N212-K256 WeakPolarHBondContact OD1-CB 3.47Å; N212-K256 PolarHBondContact OD1-N 3.44Å; N212-C257 PolarHBondContact ND2-SG 3.42Å; N212-C257 PolarHBondContact OD1-N 2.74Å; N212-C257 PolarHBondContact OD1-SG 2.77Å; N212-C257 VanDerWaalsContact OD1-SG 3.42Å
213A98.7Very high98.4Very high8 Ų828 Ų287%0.06615%0.146CC..  trans-110.1144-167.700000113.5A170 C211 V220 I221 L222A170-A213 HydrophobicContact CB-CB 4.14Å; C211-A213 PolarHBondContact O-N 2.83Å; A213-V220 HydrophobicContact CB-CG1 4.01Å; A213-I221 CarbonylContact C-O 3.58Å; A213-I221 WeakPolarHBondContact CA-O 3.31Å; A213-L222 HydrophobicContact CB-CB 3.97Å
214V98.7Very high98.4Very high4 Ų428.7 Ų28.72%0.02415%0.151CC..EExtended strand (participates in β ladder)trans-103.4127.8171.8-177.80000108.6I4 I216 I221 C255 K256 C259I4-V214 HydrophobicContact CD1-CG1 3.89Å; V214-I216 HydrophobicContact CG1-CD1 4.26Å; V214-I216 HydrophobicContact CG1-CG1 4.21Å; V214-I221 HydrophobicContact CB-CB 4.3Å; V214-I221 PolarHBondContact N-O 3.34Å; V214-I221 PolarHBondContact O-N 3.05Å; V214-C255 HydrophobicContact CG2-CB 4.23Å; V214-K256 HydrophobicContact CG2-CB 4.41Å; V214-C259 HydrophobicContact CG2-CB 3.78Å
215V98.4Very high98.4Very high27 Ų2725.8 Ų25.816%0.16415%0.147CC..EExtended strand (participates in β ladder)trans-112.9122.2-178.5-175.30000110.4K2 P171 L172 N219 V220K2-V215 PolarHBondContact NZ-O 2.9Å; P171-V215 WeakPolarHBondContact O-CG2 3.15Å; L172-V215 HydrophobicContact CD2-CG2 4Å; V215-N219 CarbonylContact C-O 3.56Å; V215-N219 WeakPolarHBondContact CA-O 3.25Å; V215-V220 HydrophobicContact CG2-CG1 4.46Å; V215-V220 HydrophobicContact CG2-CG2 4.33Å
216I98.4Very high98.4Very high1 Ų125.9 Ų25.91%0.00515%0.147CC..EExtended strand (participates in β ladder)trans-128.6102.3179.3-58161.6000107.4I4 I44 C47 A49 V214 D218 N219 I221I4-I216 HydrophobicContact CD1-CD1 4.06Å; I4-I216 HydrophobicContact CD1-CG1 4.28Å; I44-I216 HydrophobicContact CB-CD1 4.17Å; I44-I216 HydrophobicContact CG1-CD1 4.23Å; I44-I216 HydrophobicContact CG2-CD1 3.85Å; C47-I216 HydrophobicContact CB-CB 4.12Å; C47-I216 HydrophobicContact CB-CD1 3.94Å; C47-I216 HydrophobicContact CB-CG2 4.12Å; C47-I216 WeakPolarHBondContact O-CG2 3.32Å; A49-I216 HydrophobicContact CB-CD1 3.73Å; A49-I216 HydrophobicContact CB-CG1 4.18Å; A49-I216 HydrophobicContact CB-CG2 4.04Å; V214-I216 HydrophobicContact CG1-CD1 4.26Å; V214-I216 HydrophobicContact CG1-CG1 4.21Å; I216-D218 PolarHBondContact O-N 2.83Å; I216-N219 PolarHBondContact N-O 2.84Å; I216-N219 WeakPolarHBondContact O-CA 3.35Å; I216-N219 VanDerWaalsContact O-CB 3.31Å; I216-N219 WeakPolarHBondContact O-CB 3.38Å; I216-N219 PolarHBondContact O-N 3.28Å; I216-N219 PolarHBondContact O-ND2 2.77Å; I216-I221 HydrophobicContact CD1-CD1 3.93Å
217D96.5Very high98.4Very high107 Ų10730 Ų3057%0.57217%0.174SC*.THydrogen-bonded Turntrans50.2-122.9-170-53.2-34.6000110.1N219D217-N219 VanDerWaalsContact C-N 3.27Å; D217-N219 PolarHBondContact O-N 3.35Å
218D97.9Very high98.4Very high110 Ų11033.4 Ų33.459%0.58819%0.19SC*.THydrogen-bonded Turntrans-85.77.9178.5-57.7-39.6000113.6I216 F238 K239I216-D218 PolarHBondContact O-N 2.83Å; D218-F238 CarbonylContact O-C 3.57Å; D218-F238 VanDerWaalsContact O-CA 3.32Å; D218-F238 WeakPolarHBondContact O-CA 3.32Å; D218-K239 PolarHBondContact O-N 3.17Å
219N98.8Very high98.4Very high31 Ų3129.3 Ų29.317%0.16618%0.175CC..EExtended strand (participates in β ladder)trans-98.5130.2177.9-58.5-87.4000111.1C47 V215 I216 D217 K239 H241C47-N219 HydrophobicContact CB-CB 3.93Å; C47-N219 VanDerWaalsContact SG-CB 3.58Å; V215-N219 CarbonylContact C-O 3.56Å; V215-N219 WeakPolarHBondContact CA-O 3.25Å; I216-N219 PolarHBondContact N-O 2.84Å; I216-N219 WeakPolarHBondContact O-CA 3.35Å; I216-N219 VanDerWaalsContact O-CB 3.31Å; I216-N219 WeakPolarHBondContact O-CB 3.38Å; I216-N219 PolarHBondContact O-N 3.28Å; I216-N219 PolarHBondContact O-ND2 2.77Å; D217-N219 VanDerWaalsContact C-N 3.27Å; D217-N219 PolarHBondContact O-N 3.35Å; N219-K239 CarbonylContact C-O 3.59Å; N219-K239 WeakPolarHBondContact CA-O 3.33Å; N219-H241 PolarHBondContact OD1-NE2 2.89Å
220V98.8Very high98.5Very high0 Ų030.7 Ų30.70%018%0.184CC..EExtended strand (participates in β ladder)trans-116.8115.1175.4-176.30000109L172 A213 V215 L222 I233 F238 K239 V240 H241L172-V220 HydrophobicContact CD2-CG1 4.06Å; L172-V220 HydrophobicContact CD2-CG2 4Å; A213-V220 HydrophobicContact CB-CG1 4.01Å; V215-V220 HydrophobicContact CG2-CG1 4.46Å; V215-V220 HydrophobicContact CG2-CG2 4.33Å; V220-L222 HydrophobicContact CG1-CD2 4.24Å; V220-I233 HydrophobicContact CB-CG2 4.32Å; V220-I233 HydrophobicContact CG1-CD1 4.26Å; V220-I233 HydrophobicContact CG2-CG2 3.93Å; V220-F238 HydrophobicContact CG2-CB 4.01Å; V220-F238 HydrophobicContact CG2-CD1 3.68Å; V220-F238 HydrophobicContact CG2-CE1 4.48Å; V220-F238 HydrophobicContact CG2-CG 4.02Å; V220-K239 PolarHBondContact N-O 3.36Å; V220-V240 HydrophobicContact CB-CG2 4.44Å; V220-V240 CarbonylContact O-C 3.51Å; V220-V240 VanDerWaalsContact O-CA 3.31Å; V220-V240 WeakPolarHBondContact O-CA 3.23Å; V220-H241 PolarHBondContact O-N 3.27Å
221I98.9Very high98.5Very high0 Ų038.1 Ų38.10%022%0.216CC..EExtended strand (participates in β ladder)trans-102.9120.2179-51.6169.4000107.9L40 T43 I44 A213 V214 I216 H241 V243L40-I221 HydrophobicContact CD1-CG2 3.84Å; T43-I221 HydrophobicContact CG2-CD1 3.83Å; T43-I221 HydrophobicContact CG2-CG1 3.95Å; T43-I221 HydrophobicContact CG2-CG2 4.08Å; I44-I221 HydrophobicContact CB-CD1 4.38Å; I44-I221 HydrophobicContact CG1-CD1 3.67Å; A213-I221 CarbonylContact C-O 3.58Å; A213-I221 WeakPolarHBondContact CA-O 3.31Å; V214-I221 HydrophobicContact CB-CB 4.3Å; V214-I221 PolarHBondContact N-O 3.34Å; V214-I221 PolarHBondContact O-N 3.05Å; I216-I221 HydrophobicContact CD1-CD1 3.93Å; I221-H241 WeakPolarHBondContact CA-O 3.48Å; I221-H241 HydrophobicContact CG1-CB 4.21Å; I221-V243 HydrophobicContact CG2-CG2 3.54Å
222L98.8Very high98.5Very high1 Ų139.2 Ų39.21%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-141.6163.9-177.556.474.6000111.2A213 V220 S224 N226 V229 I233 V240 H241 G242 V243A213-L222 HydrophobicContact CB-CB 3.97Å; V220-L222 HydrophobicContact CG1-CD2 4.24Å; L222-S224 PolarHBondContact O-N 3.45Å; L222-N226 HydrophobicContact CD1-CB 4.27Å; L222-V229 HydrophobicContact CD2-CG1 4.48Å; L222-I233 HydrophobicContact CD2-CD1 3.9Å; L222-V240 HydrophobicContact CD1-CG1 4.15Å; L222-V240 HydrophobicContact CD2-CG1 4.01Å; L222-V240 HydrophobicContact CG-CG1 3.94Å; L222-H241 PolarHBondContact N-O 2.75Å; L222-G242 WeakPolarHBondContact O-CA 3.39Å; L222-V243 PolarHBondContact O-N 3.31Å
223P98.7Very high98.5Very high2 Ų239.2 Ų39.21%0.01323%0.225CC..EExtended strand (participates in β ladder)trans-55136.4175-27.537000112.1R208 F209 N226 V243 M245R208-P223 WeakPolarHBondContact O-CB 3.39Å; F209-P223 HydrophobicContact CB-CG 4.03Å; F209-P223 WeakPolarHBondContact O-CD 3.28Å; F209-P223 WeakPolarHBondContact O-CG 3.48Å; P223-N226 PolarHBondContact O-ND2 2.76Å; P223-V243 CarbonylContact C-O 3.53Å; P223-V243 VanDerWaalsContact CA-O 3.31Å; P223-V243 WeakPolarHBondContact CA-O 3.49Å; P223-M245 HydrophobicContact CB-CG 4.42Å; P223-M245 HydrophobicContact CG-CG 4.36Å
224S98.4Very high98.5Very high54 Ų5443.3 Ų43.338%0.37824%0.243SC..SBendtrans-62.5156.4178.760.60000112.5L222 V243L222-S224 PolarHBondContact O-N 3.45Å; S224-V243 PolarHBondContact N-O 2.91Å
225G98Very high98.5Very high47 Ų4747 Ų4749%0.48527%0.274SS..  trans92.323.5176.600000114.9R208 P227R208-G225 PolarHBondContact NE-O 3.5Å; R208-G225 PolarHBondContact NH2-O 2.89Å; G225-P227 VanDerWaalsContact C-CD 3.4Å; G225-P227 VanDerWaalsContact O-CD 3.31Å; G225-P227 WeakPolarHBondContact O-CD 3.4Å
226N98.4Very high98.5Very high3 Ų350.5 Ų50.52%0.01628%0.284CS..  trans-119.965.2-179.5-63.6-57.7000111.8E205 R208 A210 L222 P223 E228 V229 T230E205-N226 VanDerWaalsContact CA-OD1 3.31Å; E205-N226 WeakPolarHBondContact CA-OD1 3.39Å; E205-N226 HydrophobicContact CB-CB 4.46Å; E205-N226 WeakPolarHBondContact CB-OD1 3.42Å; E205-N226 HydrophobicContact CG-CB 4.16Å; E205-N226 WeakPolarHBondContact CG-OD1 3.34Å; E205-N226 PolarHBondContact O-OD1 2.68Å; E205-N226 WeakPolarHBondContact OE1-CA 3.23Å; R208-N226 WeakPolarHBondContact CB-OD1 3.45Å; R208-N226 PolarHBondContact NE-OD1 3.05Å; A210-N226 HydrophobicContact CB-CB 4.13Å; L222-N226 HydrophobicContact CD1-CB 4.27Å; P223-N226 PolarHBondContact O-ND2 2.76Å; N226-E228 PolarHBondContact O-N 3.06Å; N226-V229 HydrophobicContact CB-CG1 3.68Å; N226-V229 WeakPolarHBondContact O-CG1 3.23Å; N226-T230 WeakPolarHBondContact O-CB 3.47Å; N226-T230 PolarHBondContact O-N 3.24Å; N226-T230 PolarHBondContact O-OG1 3.1Å
227P98.3Very high98.4Very high88 Ų8853.3 Ų53.357%0.57131%0.313SS*.Hα-helixtrans-66-33.2-172.228.3-36.9000115.4E205 G225 K231E205-P227 WeakPolarHBondContact OE1-CD 3.42Å; G225-P227 VanDerWaalsContact C-CD 3.4Å; G225-P227 VanDerWaalsContact O-CD 3.31Å; G225-P227 WeakPolarHBondContact O-CD 3.4Å; P227-K231 WeakPolarHBondContact O-CB 3Å; P227-K231 PolarHBondContact O-N 3.34Å
228E98.6Very high98.5Very high128 Ų12849.4 Ų49.460%0.59829%0.291SS*.Hα-helixtrans-70.1-54.1-176.2-64.8177.1-146.300110.5E205 N226 T230 K231 A232E205-E228 WeakPolarHBondContact OE1-CB 3.32Å; E205-E228 PolarHBondContact OE1-N 3.32Å; N226-E228 PolarHBondContact O-N 3.06Å; E228-T230 VanDerWaalsContact C-N 3.31Å; E228-T230 PolarHBondContact O-N 2.98Å; E228-K231 PolarHBondContact O-N 2.97Å; E228-A232 PolarHBondContact O-N 3.19Å
229V98.6Very high98.6Very high3 Ų350 Ų502%0.01829%0.289CS..Hα-helixtrans-64.3-36.7175.573.80000111.3I178 V201 E205 A210 L222 N226 K231 A232 I233I178-V229 HydrophobicContact CB-CG2 4.15Å; I178-V229 HydrophobicContact CD1-CG2 4.11Å; I178-V229 HydrophobicContact CG2-CG2 3.57Å; V201-V229 HydrophobicContact CG2-CB 4.45Å; V201-V229 HydrophobicContact CG2-CG2 3.84Å; E205-V229 VanDerWaalsContact OE2-CB 3.23Å; E205-V229 WeakPolarHBondContact OE2-CB 3.42Å; E205-V229 VanDerWaalsContact OE2-CG1 3.28Å; E205-V229 WeakPolarHBondContact OE2-CG1 3.39Å; E205-V229 PolarHBondContact OE2-N 2.9Å; A210-V229 HydrophobicContact CB-CG1 3.96Å; L222-V229 HydrophobicContact CD2-CG1 4.48Å; N226-V229 HydrophobicContact CB-CG1 3.68Å; N226-V229 WeakPolarHBondContact O-CG1 3.23Å; V229-K231 PolarHBondContact O-N 3.15Å; V229-A232 PolarHBondContact O-N 2.87Å; V229-A232 VanDerWaalsContact O-N 3.14Å; V229-I233 HydrophobicContact CG2-CD1 3.9Å; V229-I233 HydrophobicContact CG2-CG1 4.19Å; V229-I233 WeakPolarHBondContact O-CB 3.37Å; V229-I233 WeakPolarHBondContact O-CG1 3.14Å; V229-I233 PolarHBondContact O-N 2.78Å
230T98.8Very high98.6Very high29 Ų2949.4 Ų49.418%0.17829%0.286CS..Hα-helixtrans-55.9-52.7175.5-68.70000110.4N226 E228 A232 I233 E234 V240N226-T230 WeakPolarHBondContact O-CB 3.47Å; N226-T230 PolarHBondContact O-N 3.24Å; N226-T230 PolarHBondContact O-OG1 3.1Å; E228-T230 VanDerWaalsContact C-N 3.31Å; E228-T230 PolarHBondContact O-N 2.98Å; T230-A232 VanDerWaalsContact C-N 3.28Å; T230-A232 PolarHBondContact O-N 3.33Å; T230-I233 PolarHBondContact O-N 3.17Å; T230-E234 HydrophobicContact CG2-CG 4.37Å; T230-E234 WeakPolarHBondContact O-CG 3.46Å; T230-E234 PolarHBondContact O-N 2.94Å; T230-V240 HydrophobicContact CG2-CB 3.84Å; T230-V240 HydrophobicContact CG2-CG1 3.85Å; T230-V240 HydrophobicContact CG2-CG2 4.15Å
231K98.7Very high98.6Very high157 Ų15751 Ų5168%0.68329%0.293SS*.Hα-helixtrans-60-39.2177.8-176.7-179.5179.1-178.30112.1P227 E228 V229 A235P227-K231 WeakPolarHBondContact O-CB 3Å; P227-K231 PolarHBondContact O-N 3.34Å; E228-K231 PolarHBondContact O-N 2.97Å; V229-K231 PolarHBondContact O-N 3.15Å; K231-A235 WeakPolarHBondContact O-CB 3.37Å; K231-A235 PolarHBondContact O-N 3.02Å
232A98.7Very high98.6Very high24 Ų2453.3 Ų53.320%0.19832%0.318CS..Hα-helixtrans-66.9-39.2178.600000112.5I199 E228 V229 T230 R236I199-A232 HydrophobicContact CD1-CB 4.47Å; I199-A232 HydrophobicContact CG2-CB 3.7Å; E228-A232 PolarHBondContact O-N 3.19Å; V229-A232 PolarHBondContact O-N 2.87Å; V229-A232 VanDerWaalsContact O-N 3.14Å; T230-A232 VanDerWaalsContact C-N 3.28Å; T230-A232 PolarHBondContact O-N 3.33Å; A232-R236 PolarHBondContact O-NH1 3.44Å
233I98.7Very high98.6Very high0 Ų053.3 Ų53.30%032%0.318CS..Hα-helixtrans-67-48.1175.7-67.9169.8000110.3L172 I178 V220 L222 V229 T230 A235 R236 F238 V240L172-I233 HydrophobicContact CD1-CD1 4.34Å; L172-I233 HydrophobicContact CD1-CG1 3.8Å; L172-I233 HydrophobicContact CD1-CG2 4.28Å; I178-I233 HydrophobicContact CD1-CD1 4.25Å; I178-I233 HydrophobicContact CG2-CD1 4.07Å; I178-I233 HydrophobicContact CG2-CG1 3.9Å; V220-I233 HydrophobicContact CB-CG2 4.32Å; V220-I233 HydrophobicContact CG1-CD1 4.26Å; V220-I233 HydrophobicContact CG2-CG2 3.93Å; L222-I233 HydrophobicContact CD2-CD1 3.9Å; V229-I233 HydrophobicContact CG2-CD1 3.9Å; V229-I233 HydrophobicContact CG2-CG1 4.19Å; V229-I233 WeakPolarHBondContact O-CB 3.37Å; V229-I233 WeakPolarHBondContact O-CG1 3.14Å; V229-I233 PolarHBondContact O-N 2.78Å; T230-I233 PolarHBondContact O-N 3.17Å; I233-A235 VanDerWaalsContact C-N 3.3Å; I233-A235 PolarHBondContact O-N 3.24Å; I233-R236 WeakPolarHBondContact O-CB 3.33Å; I233-R236 PolarHBondContact O-N 2.72Å; I233-F238 HydrophobicContact CG2-CB 3.45Å; I233-F238 VanDerWaalsContact CG2-CB 3.45Å; I233-F238 HydrophobicContact CG2-CD2 4.26Å; I233-F238 HydrophobicContact CG2-CG 4.02Å; I233-V240 HydrophobicContact CB-CG2 3.79Å; I233-V240 HydrophobicContact CD1-CG2 4.35Å; I233-V240 HydrophobicContact CG2-CG2 3.44Å; I233-V240 VanDerWaalsContact CG2-CG2 3.44Å
234E98.7Very high98.6Very high94 Ų9456.3 Ų56.344%0.43933%0.333SS..Hα-helixtrans-63-35.5-179.8-70.2179.7151.900112.6T230 R236 G237 F238 V240T230-E234 HydrophobicContact CG2-CG 4.37Å; T230-E234 WeakPolarHBondContact O-CG 3.46Å; T230-E234 PolarHBondContact O-N 2.94Å; E234-R236 PolarHBondContact O-N 3.49Å; E234-G237 PolarHBondContact O-N 3.27Å; E234-F238 WeakPolarHBondContact CA-O 3.35Å; E234-V240 HydrophobicContact CG-CB 4.28Å; E234-V240 HydrophobicContact CG-CG2 3.82Å
235A98.5Very high98.6Very high82 Ų8253.8 Ų53.868%0.67832%0.316SS*.THydrogen-bonded Turntrans-60.6-14173.800000113.8K231 I233K231-A235 WeakPolarHBondContact O-CB 3.37Å; K231-A235 PolarHBondContact O-N 3.02Å; I233-A235 VanDerWaalsContact C-N 3.3Å; I233-A235 PolarHBondContact O-N 3.24Å
236R98.3Very high98.6Very high100 Ų10053.8 Ų53.838%0.37731%0.308SS..THydrogen-bonded Turntrans-105.813.1177.5-69.5157.5176.984.8-1.9113L176 E197 I199 A232 I233 E234 F238L176-R236 HydrophobicContact CD2-CB 4.16Å; L176-R236 HydrophobicContact CD2-CG 4.45Å; E197-R236 IonicContact OE1-CZ 3.99Å; E197-R236 IonicContact OE1-NE 2.78Å; E197-R236 PolarHBondContact OE1-NE 3.05Å; E197-R236 IonicContact OE1-NH2 2.69Å; E197-R236 PolarHBondContact OE1-NH2 2.92Å; I199-R236 VanDerWaalsContact CD1-CD 3.49Å; A232-R236 PolarHBondContact O-NH1 3.44Å; I233-R236 WeakPolarHBondContact O-CB 3.33Å; I233-R236 PolarHBondContact O-N 2.72Å; E234-R236 PolarHBondContact O-N 3.49Å; R236-F238 HydrophobicContact CB-CD2 4.27Å; R236-F238 HydrophobicContact CB-CE2 4.49Å
237G98.1Very high98.6Very high60 Ų6054.2 Ų54.262%0.61931%0.31SS*.THydrogen-bonded Turntrans92.22.617100000115.3E234E234-G237 PolarHBondContact O-N 3.27Å
238F98.7Very high98.6Very high24 Ų2450 Ų5011%0.10528%0.283CS..PPolyproline II helixtrans-82.3155174.8-68.6-89.3000111.4L172 L176 D218 V220 I233 E234 R236L172-F238 HydrophobicContact CB-CE1 4.31Å; L172-F238 HydrophobicContact CB-CE2 4.27Å; L172-F238 HydrophobicContact CB-CZ 3.95Å; L176-F238 HydrophobicContact CD2-CD2 4.46Å; L176-F238 HydrophobicContact CD2-CE2 3.68Å; L176-F238 HydrophobicContact CD2-CZ 4.43Å; D218-F238 CarbonylContact O-C 3.57Å; D218-F238 VanDerWaalsContact O-CA 3.32Å; D218-F238 WeakPolarHBondContact O-CA 3.32Å; V220-F238 HydrophobicContact CG2-CB 4.01Å; V220-F238 HydrophobicContact CG2-CD1 3.68Å; V220-F238 HydrophobicContact CG2-CE1 4.48Å; V220-F238 HydrophobicContact CG2-CG 4.02Å; I233-F238 HydrophobicContact CG2-CB 3.45Å; I233-F238 VanDerWaalsContact CG2-CB 3.45Å; I233-F238 HydrophobicContact CG2-CD2 4.26Å; I233-F238 HydrophobicContact CG2-CG 4.02Å; E234-F238 WeakPolarHBondContact CA-O 3.35Å; R236-F238 HydrophobicContact CB-CD2 4.27Å; R236-F238 HydrophobicContact CB-CE2 4.49Å
239K98.8Very high98.6Very high123 Ų12346.1 Ų46.154%0.53527%0.266SS..EExtended strand (participates in β ladder)trans-101.8121.5168.3-176.2177.8179-178.40109.7D218 N219 V220D218-K239 PolarHBondContact O-N 3.17Å; N219-K239 CarbonylContact C-O 3.59Å; N219-K239 WeakPolarHBondContact CA-O 3.33Å; V220-K239 PolarHBondContact N-O 3.36Å
240V98.9Very high98.5Very high18 Ų1848.8 Ų48.811%0.10928%0.277CS..EExtended strand (participates in β ladder)trans-95.3138.2-179.4-179.80000111V220 L222 T230 I233 E234V220-V240 HydrophobicContact CB-CG2 4.44Å; V220-V240 CarbonylContact O-C 3.51Å; V220-V240 VanDerWaalsContact O-CA 3.31Å; V220-V240 WeakPolarHBondContact O-CA 3.23Å; L222-V240 HydrophobicContact CD1-CG1 4.15Å; L222-V240 HydrophobicContact CD2-CG1 4.01Å; L222-V240 HydrophobicContact CG-CG1 3.94Å; T230-V240 HydrophobicContact CG2-CB 3.84Å; T230-V240 HydrophobicContact CG2-CG1 3.85Å; T230-V240 HydrophobicContact CG2-CG2 4.15Å; I233-V240 HydrophobicContact CB-CG2 3.79Å; I233-V240 HydrophobicContact CD1-CG2 4.35Å; I233-V240 HydrophobicContact CG2-CG2 3.44Å; I233-V240 VanDerWaalsContact CG2-CG2 3.44Å; E234-V240 HydrophobicContact CG-CB 4.28Å; E234-V240 HydrophobicContact CG-CG2 3.82Å
241H98.8Very high98.5Very high34 Ų3447.4 Ų47.416%0.15727%0.269CS..EExtended strand (participates in β ladder)trans-122.6108.7175.2-55-99.8000108.9T43 N219 V220 I221 L222T43-H241 HydrophobicContact CG2-CB 3.79Å; N219-H241 PolarHBondContact OD1-NE2 2.89Å; V220-H241 PolarHBondContact O-N 3.27Å; I221-H241 WeakPolarHBondContact CA-O 3.48Å; I221-H241 HydrophobicContact CG1-CB 4.21Å; L222-H241 PolarHBondContact N-O 2.75Å
242G98.7Very high98.4Very high49 Ų4940 Ų4051%0.50524%0.236SC..EExtended strand (participates in β ladder)trans-79.3125.3173.500000111L222L222-G242 WeakPolarHBondContact O-CA 3.39Å
243V98.8Very high98.3Very high1 Ų138.9 Ų38.91%0.00623%0.227CC..EExtended strand (participates in β ladder)trans-118.1131.1177.1-179.40000109.2L40 T43 I221 L222 P223 S224 M245L40-V243 HydrophobicContact CB-CG1 4.15Å; T43-V243 HydrophobicContact CG2-CG2 4.28Å; I221-V243 HydrophobicContact CG2-CG2 3.54Å; L222-V243 PolarHBondContact O-N 3.31Å; P223-V243 CarbonylContact C-O 3.53Å; P223-V243 VanDerWaalsContact CA-O 3.31Å; P223-V243 WeakPolarHBondContact CA-O 3.49Å; S224-V243 PolarHBondContact N-O 2.91Å; V243-M245 HydrophobicContact CB-SD 4.45Å; V243-M245 HydrophobicContact CG1-CG 4.46Å; V243-M245 HydrophobicContact CG1-SD 3.77Å; V243-M245 PolarHBondContact O-N 2.94Å
244D98.7Very high98.2Very high65 Ų6538.9 Ų38.935%0.34823%0.227SC..  trans-66.1122172.1177.421.3000109.7Q36 S246Q36-D244 WeakPolarHBondContact CB-O 3.37Å; Q36-D244 VanDerWaalsContact CG-O 3.25Å; Q36-D244 WeakPolarHBondContact CG-O 3.23Å; Q36-D244 PolarHBondContact NE2-OD1 2.89Å; Q36-D244 PolarHBondContact NE2-OD2 3.23Å; D244-S246 VanDerWaalsContact OD1-CB 3.23Å; D244-S246 WeakPolarHBondContact OD1-CB 3.46Å; D244-S246 PolarHBondContact OD1-N 3.25Å; D244-S246 PolarHBondContact OD1-OG 2.74Å; D244-S246 PolarHBondContact OD2-OG 3.36Å
245M98.6Very high98.2Very high1 Ų134.4 Ų34.41%0.00521%0.206CC..  trans-124.419.8-179.9-61.5-55.7-66.100111.1L40 P223 V243 E247 F248 L249 L258L40-M245 HydrophobicContact CD2-CE 4Å; L40-M245 HydrophobicContact CD2-SD 4.31Å; P223-M245 HydrophobicContact CB-CG 4.42Å; P223-M245 HydrophobicContact CG-CG 4.36Å; V243-M245 HydrophobicContact CB-SD 4.45Å; V243-M245 HydrophobicContact CG1-CG 4.46Å; V243-M245 HydrophobicContact CG1-SD 3.77Å; V243-M245 PolarHBondContact O-N 2.94Å; M245-E247 PolarHBondContact O-N 3.34Å; M245-E247 VanDerWaalsContact O-N 3.1Å; M245-F248 HydrophobicContact CE-CB 3.95Å; M245-F248 HydrophobicContact CE-CD2 3.39Å; M245-F248 HydrophobicContact CE-CE2 4.14Å; M245-F248 HydrophobicContact CE-CG 3.81Å; M245-F248 PolarHBondContact O-N 3.22Å; M245-F248 HydrophobicContact SD-CD2 4.36Å; M245-L249 HydrophobicContact CB-CG 4.48Å; M245-L249 WeakPolarHBondContact O-CG 3.44Å; M245-L249 PolarHBondContact O-N 3.4Å; M245-L258 HydrophobicContact CE-CD1 3.72Å; M245-L258 HydrophobicContact CE-CD2 4.03Å; M245-L258 HydrophobicContact CE-CG 4.48Å
246S98.2Very high98.2Very high46 Ų4631.9 Ų31.932%0.32218%0.18SC..Hα-helixtrans-56.5-30.2-170.4510000114.7Q36 D244Q36-S246 PolarHBondContact NE2-OG 2.95Å; D244-S246 VanDerWaalsContact OD1-CB 3.23Å; D244-S246 WeakPolarHBondContact OD1-CB 3.46Å; D244-S246 PolarHBondContact OD1-N 3.25Å; D244-S246 PolarHBondContact OD1-OG 2.74Å; D244-S246 PolarHBondContact OD2-OG 3.36Å
247E98.7Very high98.2Very high13 Ų1327.2 Ų27.26%0.06116%0.163CC..Hα-helixtrans-77.2-37.4175.3-64.8-60.7135.500112.2Y12 V28 N29 L32 A33 Q36 M245 K250Y12-E247 PolarHBondContact OH-O 3.27Å; Y12-E247 VanDerWaalsContact OH-O 3.05Å; V28-E247 WeakPolarHBondContact CA-OE2 3.38Å; V28-E247 HydrophobicContact CG1-CB 4.24Å; N29-E247 HydrophobicContact CB-CG 4.4Å; N29-E247 PolarHBondContact N-OE2 2.83Å; L32-E247 HydrophobicContact CB-CG 4.05Å; L32-E247 HydrophobicContact CD2-CG 3.79Å; L32-E247 HydrophobicContact CG-CG 3.78Å; A33-E247 HydrophobicContact CB-CB 3.87Å; A33-E247 HydrophobicContact CB-CG 4.28Å; Q36-E247 VanDerWaalsContact OE1-CB 3.27Å; M245-E247 PolarHBondContact O-N 3.34Å; M245-E247 VanDerWaalsContact O-N 3.1Å; E247-K250 WeakPolarHBondContact O-CB 3.44Å; E247-K250 PolarHBondContact O-N 3.14Å; E247-K250 IonicContact OE1-NZ 3.52Å; E247-K250 PolarHBondContact OE1-NZ 2.78Å; E247-K250 WeakPolarHBondContact OE2-CE 3.15Å; E247-K250 IonicContact OE2-NZ 2.74Å; E247-K250 PolarHBondContact OE2-NZ 3.41Å
248F98.5Very high98.3Very high0 Ų024.4 Ų24.40%013%0.134CC..Hα-helixtrans-72.6-29.7177.3-63.7-74.2000113.1P9 Y12 A33 Q36 W37 V64 F65 M245 K250 S251 G252 G253 L258P9-F248 HydrophobicContact CB-CE1 4.42Å; P9-F248 HydrophobicContact CB-CZ 4.19Å; Y12-F248 HydrophobicContact CD1-CD1 4.01Å; Y12-F248 AromaticContact CD1-CE1 3.52Å; Y12-F248 HydrophobicContact CD1-CE1 3.52Å; Y12-F248 HydrophobicContact CD1-CZ 4.23Å; Y12-F248 AromaticContact CE1-CD1 3.5Å; Y12-F248 HydrophobicContact CE1-CD1 3.5Å; Y12-F248 AromaticContact CE1-CE1 3.51Å; Y12-F248 HydrophobicContact CE1-CE1 3.51Å; Y12-F248 HydrophobicContact CE1-CG 4.3Å; Y12-F248 HydrophobicContact CE1-CZ 4.34Å; Y12-F248 HydrophobicContact CE2-CD1 4.42Å; Y12-F248 HydrophobicContact CG-CE1 4.12Å; Y12-F248 AromaticContact CZ-CD1 3.76Å; Y12-F248 WeakPolarHBondContact OH-CA 3.31Å; A33-F248 HydrophobicContact CB-CE2 4.48Å; A33-F248 HydrophobicContact CB-CZ 4.24Å; A33-F248 WeakPolarHBondContact O-CE2 3.3Å; Q36-F248 HydrophobicContact CB-CD2 4.35Å; Q36-F248 HydrophobicContact CB-CE2 3.92Å; W37-F248 HydrophobicContact CB-CE2 4.28Å; W37-F248 HydrophobicContact CB-CZ 4.02Å; V64-F248 HydrophobicContact CG1-CE1 4.29Å; V64-F248 HydrophobicContact CG2-CE1 3.75Å; V64-F248 HydrophobicContact CG2-CZ 4.42Å; F65-F248 HydrophobicContact CE1-CD1 4.08Å; F65-F248 HydrophobicContact CZ-CD1 4.26Å; M245-F248 HydrophobicContact CE-CB 3.95Å; M245-F248 HydrophobicContact CE-CD2 3.39Å; M245-F248 HydrophobicContact CE-CE2 4.14Å; M245-F248 HydrophobicContact CE-CG 3.81Å; M245-F248 PolarHBondContact O-N 3.22Å; M245-F248 HydrophobicContact SD-CD2 4.36Å; F248-K250 PolarHBondContact O-N 2.8Å; F248-S251 PolarHBondContact O-N 3.27Å; F248-G252 PolarHBondContact O-N 3.26Å; F248-G253 CarbonylContact C-O 3.33Å; F248-G253 PolarHBondContact O-N 3.35Å; F248-L258 HydrophobicContact CB-CD1 4.23Å; F248-L258 HydrophobicContact CD1-CD1 3.9Å; F248-L258 HydrophobicContact CD1-CD2 3.97Å; F248-L258 HydrophobicContact CD1-CG 4.38Å; F248-L258 HydrophobicContact CD2-CD2 4.28Å; F248-L258 HydrophobicContact CE1-CD1 4.48Å; F248-L258 HydrophobicContact CE1-CD2 3.75Å; F248-L258 HydrophobicContact CE1-CG 4.49Å; F248-L258 HydrophobicContact CE2-CD2 4.05Å; F248-L258 HydrophobicContact CG-CD1 3.97Å; F248-L258 HydrophobicContact CG-CD2 4.24Å; F248-L258 HydrophobicContact CZ-CD2 3.79Å
249L97.8Very high98.3Very high45 Ų4523.2 Ų23.224%0.23613%0.129CC..Hα-helixtrans-60.4-26.9173.3-74174000112.1F209 M245 S251 G252 G253F209-L249 HydrophobicContact CB-CD2 3.77Å; F209-L249 HydrophobicContact CD1-CD2 4.19Å; F209-L249 HydrophobicContact CD2-CD2 3.61Å; F209-L249 HydrophobicContact CE2-CD2 4.26Å; F209-L249 HydrophobicContact CG-CD2 3.58Å; M245-L249 HydrophobicContact CB-CG 4.48Å; M245-L249 WeakPolarHBondContact O-CG 3.44Å; M245-L249 PolarHBondContact O-N 3.4Å; L249-S251 PolarHBondContact O-N 2.91Å; L249-G252 PolarHBondContact O-N 3.26Å; L249-G253 WeakPolarHBondContact CA-O 3.37Å; L249-G253 PolarHBondContact N-O 3.37Å
250K97.7Very high98.3Very high59 Ų5917.5 Ų17.526%0.25710%0.104SC..THydrogen-bonded Turntrans-65-21.3174.6-60.3176.6-179171.40113.3V14 W21 M22 P27 E247 F248V14-K250 HydrophobicContact CG2-CB 4.22Å; W21-K250 CarbonylContact C-O 3.05Å; M22-K250 WeakPolarHBondContact CA-O 3.35Å; P27-K250 PolarHBondContact O-NZ 2.79Å; E247-K250 WeakPolarHBondContact O-CB 3.44Å; E247-K250 PolarHBondContact O-N 3.14Å; E247-K250 IonicContact OE1-NZ 3.52Å; E247-K250 PolarHBondContact OE1-NZ 2.78Å; E247-K250 WeakPolarHBondContact OE2-CE 3.15Å; E247-K250 IonicContact OE2-NZ 2.74Å; E247-K250 PolarHBondContact OE2-NZ 3.41Å; F248-K250 PolarHBondContact O-N 2.8Å
251S97Very high98.2Very high1 Ų118.6 Ų18.61%0.00711%0.111CC..THydrogen-bonded Turntrans-97.61.8171.7-640000112.7Y12 V14 N19 F248 L249Y12-S251 WeakPolarHBondContact CE2-OG 3.23Å; Y12-S251 WeakPolarHBondContact OH-CB 3.47Å; Y12-S251 PolarHBondContact OH-OG 3.26Å; V14-S251 WeakPolarHBondContact CG2-OG 3.31Å; N19-S251 PolarHBondContact ND2-O 3.11Å; F248-S251 PolarHBondContact O-N 3.27Å; L249-S251 PolarHBondContact O-N 2.91Å
252G96.9Very high98.2Very high0 Ų017.4 Ų17.40%011%0.106CC..THydrogen-bonded Turntrans69.740.6-170.800000112.4Y163 F209 F248 L249Y163-G252 PolarHBondContact OH-O 3.48Å; F209-G252 WeakPolarHBondContact CE1-O 3.41Å; F248-G252 PolarHBondContact O-N 3.26Å; L249-G252 PolarHBondContact O-N 3.26Å
253G96.5Very high98Very high1 Ų121.4 Ų21.41%0.0112%0.116CC..  trans-125.5154.7174.300000112.7F248 L249F248-G253 CarbonylContact C-O 3.33Å; F248-G253 PolarHBondContact O-N 3.35Å; L249-G253 WeakPolarHBondContact CA-O 3.37Å; L249-G253 PolarHBondContact N-O 3.37Å
254G97.6Very high98Very high0 Ų022.4 Ų22.40%012%0.121CC..  trans-135.7-156.8176.800000112.5N212 K256 C257 L258N212-G254 WeakPolarHBondContact OD1-CA 3.18Å; N212-G254 PolarHBondContact OD1-N 2.88Å; N212-G254 PolarHBondContact OD1-O 3.36Å; G254-K256 PolarHBondContact O-N 2.91Å; G254-C257 PolarHBondContact O-N 3.01Å; G254-L258 WeakPolarHBondContact O-CD1 3.48Å
255C98.7Very high97.9Very high0 Ų020.2 Ų20.20%011%0.109CC..THydrogen-bonded Turntrans-58.5-46.1-174.8-64.30000112.8L40 N212 V214 C259L40-C255 HydrophobicContact CD1-CB 4Å; N212-C255 WeakPolarHBondContact O-CB 3.47Å; N212-C255 PolarHBondContact O-N 3.26Å; N212-C255 PolarHBondContact OD1-N 3.34Å; N212-C255 VanDerWaalsContact OD1-N 3.13Å; V214-C255 HydrophobicContact CG2-CB 4.23Å; C255-C259 PolarHBondContact O-SG 3.15Å
256K98.7Very high97.9Very high29 Ų2921.2 Ų21.213%0.12612%0.115CC..THydrogen-bonded Turntrans-66.4-40.7-179.2176.762.8179.4-163.90112.2A67 D166 N212 V214 G254 L258 C259A67-K256 WeakPolarHBondContact CB-O 3.32Å; D166-K256 HydrophobicContact CB-CG 4.02Å; N212-K256 HydrophobicContact CB-CB 4.47Å; N212-K256 PolarHBondContact O-N 3.32Å; N212-K256 VanDerWaalsContact O-N 3.15Å; N212-K256 WeakPolarHBondContact OD1-CA 3.48Å; N212-K256 WeakPolarHBondContact OD1-CB 3.47Å; N212-K256 PolarHBondContact OD1-N 3.44Å; V214-K256 HydrophobicContact CG2-CB 4.41Å; G254-K256 PolarHBondContact O-N 2.91Å; K256-L258 PolarHBondContact O-N 2.95Å; K256-L258 VanDerWaalsContact O-N 3.13Å; K256-C259 PolarHBondContact O-N 2.84Å
257C98.7Very high97.9Very high3 Ų319.8 Ų19.82%0.0210%0.103CC..THydrogen-bonded Turntrans-57.3-33.5-177.4-62.60000112.3F65 T66 A67 D166 N212 G254 C259F65-C257 CarbonylContact C-O 3.38Å; F65-C257 WeakPolarHBondContact CA-O 3.24Å; F65-C257 HydrophobicContact CD1-CB 3.67Å; F65-C257 HydrophobicContact CE1-CB 4.39Å; F65-C257 HydrophobicContact CG-CB 4.47Å; T66-C257 PolarHBondContact N-O 3Å; A67-C257 VanDerWaalsContact CB-O 3.26Å; A67-C257 WeakPolarHBondContact CB-O 3.47Å; A67-C257 PolarHBondContact N-O 3.42Å; D166-C257 PolarHBondContact OD2-SG 2.98Å; N212-C257 PolarHBondContact ND2-SG 3.42Å; N212-C257 PolarHBondContact OD1-N 2.74Å; N212-C257 PolarHBondContact OD1-SG 2.77Å; N212-C257 VanDerWaalsContact OD1-SG 3.42Å; G254-C257 PolarHBondContact O-N 3.01Å; C257-C259 PolarHBondContact O-N 3.37Å
258L98.8Very high97.8Very high0 Ų020.2 Ų20.20%011%0.106CC..THydrogen-bonded Turntrans-79.3-0.9178.7-78.783.4000114.4M6 L40 V64 F65 T66 M245 F248 G254 K256M6-L258 WeakPolarHBondContact CG-O 3.48Å; L40-L258 HydrophobicContact CD2-CB 3.88Å; L40-L258 HydrophobicContact CD2-CD2 4.06Å; V64-L258 HydrophobicContact CG2-CD2 3.88Å; V64-L258 HydrophobicContact CG2-CG 4.09Å; V64-L258 WeakPolarHBondContact O-CA 3.3Å; F65-L258 HydrophobicContact CD1-CD1 3.83Å; F65-L258 HydrophobicContact CD1-CG 4.35Å; F65-L258 HydrophobicContact CE1-CD1 3.75Å; T66-L258 VanDerWaalsContact OG1-C 3.32Å; T66-L258 PolarHBondContact OG1-O 3.06Å; M245-L258 HydrophobicContact CE-CD1 3.72Å; M245-L258 HydrophobicContact CE-CD2 4.03Å; M245-L258 HydrophobicContact CE-CG 4.48Å; F248-L258 HydrophobicContact CB-CD1 4.23Å; F248-L258 HydrophobicContact CD1-CD1 3.9Å; F248-L258 HydrophobicContact CD1-CD2 3.97Å; F248-L258 HydrophobicContact CD1-CG 4.38Å; F248-L258 HydrophobicContact CD2-CD2 4.28Å; F248-L258 HydrophobicContact CE1-CD1 4.48Å; F248-L258 HydrophobicContact CE1-CD2 3.75Å; F248-L258 HydrophobicContact CE1-CG 4.49Å; F248-L258 HydrophobicContact CE2-CD2 4.05Å; F248-L258 HydrophobicContact CG-CD1 3.97Å; F248-L258 HydrophobicContact CG-CD2 4.24Å; F248-L258 HydrophobicContact CZ-CD2 3.79Å; G254-L258 WeakPolarHBondContact O-CD1 3.48Å; K256-L258 PolarHBondContact O-N 2.95Å; K256-L258 VanDerWaalsContact O-N 3.13Å
259C98.8Very high97.8Very high0 Ų021.5 Ų21.50%011%0.113CC..  trans-134.1116.3-166.1-630000112.1I4 I44 V214 C255 K256 C257 P261I4-C259 HydrophobicContact CG2-CB 3.66Å; I44-C259 WeakPolarHBondContact CD1-SG 3.49Å; V214-C259 HydrophobicContact CG2-CB 3.78Å; C255-C259 PolarHBondContact O-SG 3.15Å; K256-C259 PolarHBondContact O-N 2.84Å; C257-C259 PolarHBondContact O-N 3.37Å; C259-P261 WeakPolarHBondContact O-CD 3.39Å
260L98.7Very high97.8Very high2 Ų219.9 Ų19.91%0.0110%0.104CC..EExtended strand (participates in β ladder)trans-106.3107.8168.4-177.267000111.1I4 L5 T66 A69 G70 I72 F98 A115 L262I4-L260 WeakPolarHBondContact CA-O 3.22Å; L5-L260 HydrophobicContact CB-CB 4.26Å; L5-L260 HydrophobicContact CD2-CD2 4.46Å; L5-L260 PolarHBondContact N-O 2.74Å; L5-L260 PolarHBondContact O-N 3.44Å; T66-L260 WeakPolarHBondContact O-CB 3.42Å; T66-L260 PolarHBondContact OG1-N 2.97Å; A69-L260 HydrophobicContact CB-CD2 4.23Å; G70-L260 WeakPolarHBondContact O-CD1 3.14Å; I72-L260 HydrophobicContact CD1-CD2 4.21Å; I72-L260 HydrophobicContact CG1-CD1 4.11Å; I72-L260 HydrophobicContact CG1-CD2 4.07Å; I72-L260 HydrophobicContact CG1-CG 4.03Å; F98-L260 HydrophobicContact CE1-CD2 4.05Å; F98-L260 HydrophobicContact CZ-CD2 3.53Å; A115-L260 HydrophobicContact CB-CD1 3.83Å; L260-L262 HydrophobicContact CD2-CD2 4.34Å; L260-L262 HydrophobicContact CG-CD2 4.44Å; L260-L262 PolarHBondContact O-N 3.41Å
261P98Very high97.8Very high41 Ų4116.8 Ų16.827%0.2669%0.092SC..EExtended strand (participates in β ladder)trans-60.4130.6169.7-21.433.6000110.9I72 C259I72-P261 VanDerWaalsContact CG1-O 3.3Å; I72-P261 WeakPolarHBondContact CG1-O 3.43Å; C259-P261 WeakPolarHBondContact O-CD 3.39Å
262L98.4Very high97.8Very high9 Ų918.2 Ų18.25%0.04710%0.099CC..  trans-101.6-10.9-177-63.3-178.3000113.4T3 L5 K52 I72 W97 F98 F103 L260T3-L262 HydrophobicContact CG2-CD1 3.92Å; T3-L262 WeakPolarHBondContact O-CB 3.33Å; T3-L262 PolarHBondContact O-N 3.35Å; L5-L262 HydrophobicContact CB-CD1 4.12Å; L5-L262 HydrophobicContact CB-CD2 3.99Å; L5-L262 HydrophobicContact CB-CG 4.14Å; K52-L262 HydrophobicContact CD-CD1 4.24Å; I72-L262 HydrophobicContact CD1-CD2 4.3Å; I72-L262 HydrophobicContact CG1-CD2 4.3Å; W97-L262 HydrophobicContact CH2-CD1 3.56Å; W97-L262 HydrophobicContact CH2-CD2 4.38Å; W97-L262 HydrophobicContact CZ3-CD1 4.18Å; W97-L262 HydrophobicContact CZ3-CD2 4.21Å; F98-L262 HydrophobicContact CE1-CD2 4.03Å; F103-L262 HydrophobicContact CE2-CD2 4.5Å; F103-L262 HydrophobicContact CZ-CB 4.13Å; F103-L262 HydrophobicContact CZ-CD2 4.01Å; F103-L262 HydrophobicContact CZ-CG 4.5Å; L260-L262 HydrophobicContact CD2-CD2 4.34Å; L260-L262 HydrophobicContact CG-CD2 4.44Å; L260-L262 PolarHBondContact O-N 3.41Å
263N94Very high97.9Very high133 Ų13319.8 Ų19.871%0.71111%0.108SC*.  trans-161.701775915000112.2K2 T3K2-N263 WeakPolarHBondContact CA-OD1 3.3Å; T3-N263 PolarHBondContact N-OD1 2.58Å

Retrieved 263 of 263 residues in 795.1 ms (Link to these results)

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