A0A077Z7L4_TRITR Loading...

Proteasome subunit alpha type 3

AlphaFold DB , UniProt , Accession A0A077Z7L4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 224 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
1M86.9Confident93.9Very high109 Ų10948.5 Ų48.554%0.53727%0.266SS..  0-60.70-69.8-56.5-89.300113.9A3 V4 D5 P127M1-A3 PolarHBondContact O-N 3.19Å; M1-V4 WeakPolarHBondContact O-CA 3.47Å; M1-V4 VanDerWaalsContact O-CB 3.29Å; M1-V4 WeakPolarHBondContact O-CB 3.48Å; M1-V4 PolarHBondContact O-N 3.01Å; M1-D5 PolarHBondContact O-N 3.16Å; M1-D5 VanDerWaalsContact O-N 3.16Å; M1-P127 HydrophobicContact SD-CG 4Å
2K93.3Very high94.3Very high184 Ų18444.4 Ų44.480%0.824%0.244SC*.Hα-helixtrans-50.9-37.6-176.9-69.9-174.1176.5-178.10115.5V4 D5 S6K2-V4 VanDerWaalsContact C-N 3.29Å; K2-V4 PolarHBondContact O-N 3.11Å; K2-D5 PolarHBondContact O-N 3.07Å; K2-S6 PolarHBondContact O-N 3.24Å; K2-S6 PolarHBondContact O-OG 2.66Å
3A93.9Very high94.6Very high43 Ų4341.2 Ų41.236%0.35523%0.226SC..Hα-helixtrans-66.1-28.3176.200000114M1 S6M1-A3 PolarHBondContact O-N 3.19Å; A3-S6 PolarHBondContact O-OG 2.7Å
4V95.4Very high94.9Very high2 Ų244.2 Ų44.21%0.01223%0.233CC..Hα-helixtrans-72.5-46.3172.5-179.80000109.1M1 K2 S6 S7 F108 P127 V139 G140M1-V4 WeakPolarHBondContact O-CA 3.47Å; M1-V4 VanDerWaalsContact O-CB 3.29Å; M1-V4 WeakPolarHBondContact O-CB 3.48Å; M1-V4 PolarHBondContact O-N 3.01Å; K2-V4 VanDerWaalsContact C-N 3.29Å; K2-V4 PolarHBondContact O-N 3.11Å; V4-S6 PolarHBondContact O-N 3.37Å; V4-S7 WeakPolarHBondContact O-CB 3.27Å; V4-S7 PolarHBondContact O-N 3.45Å; V4-F108 HydrophobicContact CG1-CB 3.81Å; V4-F108 HydrophobicContact CG2-CB 4.08Å; V4-P127 HydrophobicContact CG2-CG 3.97Å; V4-V139 HydrophobicContact CG1-CB 4.06Å; V4-V139 HydrophobicContact CG1-CG1 4.5Å; V4-G140 WeakPolarHBondContact O-CA 3.3Å
5D94.3Very high95Very high48 Ų4841.3 Ų41.326%0.25722%0.218SC..Hα-helixtrans-62.5-26.3179.6-64.9-35.5000112.9M1 K2 G140 K141 R143M1-D5 PolarHBondContact O-N 3.16Å; M1-D5 VanDerWaalsContact O-N 3.16Å; K2-D5 PolarHBondContact O-N 3.07Å; D5-G140 CarbonylContact O-C 3.52Å; D5-K141 WeakPolarHBondContact O-CA 3.22Å; D5-K141 PolarHBondContact O-N 3.3Å; D5-R143 IonicContact OD1-CZ 3.57Å; D5-R143 IonicContact OD1-NE 2.73Å; D5-R143 PolarHBondContact OD1-NE 3.45Å; D5-R143 IonicContact OD1-NH2 2.74Å
6S92.9Very high95.1Very high95 Ų9547.1 Ų47.166%0.66424%0.243SC*.THydrogen-bonded Turntrans-88.51.317667.80000114.3K2 A3 V4K2-S6 PolarHBondContact O-N 3.24Å; K2-S6 PolarHBondContact O-OG 2.66Å; A3-S6 PolarHBondContact O-OG 2.7Å; V4-S6 PolarHBondContact O-N 3.37Å
7S93.5Very high95.2Very high13 Ų1346.3 Ų46.39%0.09124%0.239CC..SBendtrans-93.1171.4-178.2-155.50000112V4 S52 G53 G140 K141V4-S7 WeakPolarHBondContact O-CB 3.27Å; V4-S7 PolarHBondContact O-N 3.45Å; S7-S52 WeakPolarHBondContact CB-OG 3.45Å; S7-G53 PolarHBondContact OG-N 3.23Å; S7-G53 PolarHBondContact OG-O 3.09Å; S7-G140 CarbonylContact O-C 3.57Å; S7-G140 WeakPolarHBondContact O-CA 3.44Å; S7-K141 PolarHBondContact O-N 3.44Å
8N92.8Very high95.4Very high35 Ų3543.7 Ų43.719%0.18723%0.226CC..PPolyproline II helixtrans-64.8155176.9-60-26000111.4E24 A26 S52N8-E24 HydrophobicContact CB-CB 4.2Å; N8-E24 HydrophobicContact CB-CG 4.42Å; N8-E24 WeakPolarHBondContact CB-O 3.26Å; N8-E24 PolarHBondContact ND2-O 3.28Å; N8-A26 PolarHBondContact ND2-N 3.27Å; N8-S52 PolarHBondContact O-OG 3.04Å
9T95.3Very high95.6Very high1 Ų141.4 Ų41.41%0.00621%0.214CC..PPolyproline II helixtrans-75.1134.6-173.3-48.20000110.7I11 E24 V139 N142 M171 I174T9-I11 HydrophobicContact CG2-CG1 4.45Å; T9-E24 WeakPolarHBondContact CB-OE2 3.32Å; T9-E24 PolarHBondContact N-OE2 3.25Å; T9-E24 VanDerWaalsContact O-CB 3.25Å; T9-E24 WeakPolarHBondContact O-CB 3.36Å; T9-E24 PolarHBondContact O-N 2.77Å; T9-E24 PolarHBondContact OG1-OE2 2.95Å; T9-V139 CarbonylContact C-O 3.56Å; T9-V139 VanDerWaalsContact CA-O 3.26Å; T9-V139 WeakPolarHBondContact CA-O 3.47Å; T9-N142 HydrophobicContact CG2-CB 4.36Å; T9-N142 WeakPolarHBondContact OG1-CB 3.5Å; T9-N142 PolarHBondContact OG1-N 3.32Å; T9-M171 HydrophobicContact CG2-CE 4.26Å; T9-M171 HydrophobicContact CG2-SD 4.24Å; T9-I174 HydrophobicContact CG2-CD1 4.02Å
10C96.9Very high95.7Very high2 Ų239.4 Ų39.41%0.01420%0.204CC..EExtended strand (participates in β ladder)trans-124.7134.5168.7-178.60000108.9L22 T50 S138 V139C10-L22 CarbonylContact C-O 3.6Å; C10-L22 WeakPolarHBondContact CA-O 3.36Å; C10-L22 PolarHBondContact SG-O 2.98Å; C10-T50 PolarHBondContact SG-OG1 3.26Å; C10-T50 VanDerWaalsContact SG-OG1 3.33Å; C10-S138 CarbonylContact O-C 3.53Å; C10-S138 VanDerWaalsContact O-CA 3.25Å; C10-S138 WeakPolarHBondContact O-CA 3.43Å; C10-V139 HydrophobicContact CB-CG2 3.79Å; C10-V139 PolarHBondContact N-O 3.42Å; C10-V139 PolarHBondContact O-N 3.44Å
11I97.9Very high95.8Very high1 Ų137.6 Ų37.61%0.00519%0.194CC..EExtended strand (participates in β ladder)trans-116.6133.4177.9-62.2174.4000107.6T9 M13 L22 A146 L150 I170 M171 I174T9-I11 HydrophobicContact CG2-CG1 4.45Å; I11-M13 HydrophobicContact CG2-CE 4.35Å; I11-M13 HydrophobicContact CG2-CG 4.16Å; I11-M13 HydrophobicContact CG2-SD 4.5Å; I11-L22 HydrophobicContact CB-CB 4.49Å; I11-L22 PolarHBondContact N-O 3.44Å; I11-L22 PolarHBondContact O-N 3.07Å; I11-A146 HydrophobicContact CD1-CB 4.26Å; I11-A146 HydrophobicContact CG1-CB 4.32Å; I11-L150 HydrophobicContact CG2-CD1 4.33Å; I11-L150 HydrophobicContact CG2-CD2 4.1Å; I11-I170 HydrophobicContact CD1-CB 4.1Å; I11-I170 HydrophobicContact CD1-CG2 3.67Å; I11-M171 HydrophobicContact CD1-CB 4.39Å; I11-M171 HydrophobicContact CD1-CE 3.86Å; I11-M171 HydrophobicContact CD1-SD 4.42Å; I11-M171 HydrophobicContact CG1-CE 3.96Å; I11-I174 HydrophobicContact CD1-CD1 4.43Å
12V98.3Very high96.4Very high0 Ų032.4 Ų32.40%017%0.169CC..EExtended strand (participates in β ladder)trans-128.3135.9176.8-59.20000109.4V20 F21 T50 F110 L122 A136 W137V12-V20 WeakPolarHBondContact CA-O 3.28Å; V12-F21 HydrophobicContact CB-CD1 3.86Å; V12-F21 HydrophobicContact CB-CE1 4.01Å; V12-F21 HydrophobicContact CG1-CD1 3.37Å; V12-F21 HydrophobicContact CG1-CE1 3.63Å; V12-F21 HydrophobicContact CG1-CG 4.32Å; V12-T50 HydrophobicContact CG1-CG2 3.74Å; V12-F110 HydrophobicContact CB-CG 4.49Å; V12-F110 HydrophobicContact CG1-CB 4.16Å; V12-F110 HydrophobicContact CG1-CD1 4.29Å; V12-F110 HydrophobicContact CG1-CD2 3.77Å; V12-F110 HydrophobicContact CG1-CE2 4.24Å; V12-F110 HydrophobicContact CG1-CG 3.8Å; V12-F110 HydrophobicContact CG2-CD1 3.73Å; V12-F110 HydrophobicContact CG2-CD2 4.36Å; V12-F110 HydrophobicContact CG2-CE1 3.65Å; V12-F110 HydrophobicContact CG2-CE2 4.3Å; V12-F110 HydrophobicContact CG2-CG 4.09Å; V12-F110 HydrophobicContact CG2-CZ 3.97Å; V12-L122 HydrophobicContact CB-CD1 4.11Å; V12-L122 HydrophobicContact CB-CD2 4.06Å; V12-L122 HydrophobicContact CG2-CD1 4.17Å; V12-L122 HydrophobicContact CG2-CD2 3.85Å; V12-L122 HydrophobicContact CG2-CG 4.5Å; V12-A136 CarbonylContact O-C 3.52Å; V12-A136 WeakPolarHBondContact O-CA 3.28Å; V12-W137 HydrophobicContact CG2-CB 3.85Å; V12-W137 WeakPolarHBondContact CG2-O 3.14Å; V12-W137 PolarHBondContact N-O 3Å; V12-W137 PolarHBondContact O-N 2.95Å
13M98.3Very high96.5Very high2 Ų223.7 Ų23.71%0.0113%0.131CC..EExtended strand (participates in β ladder)trans-141.5132-177.5-66.4-173.8-7200111.4I11 V19 V20 A136 L150 L163 A167I11-M13 HydrophobicContact CG2-CE 4.35Å; I11-M13 HydrophobicContact CG2-CG 4.16Å; I11-M13 HydrophobicContact CG2-SD 4.5Å; M13-V19 CarbonylContact O-C 3.57Å; M13-V19 VanDerWaalsContact O-CA 3.32Å; M13-V19 WeakPolarHBondContact O-CA 3.38Å; M13-V19 WeakPolarHBondContact O-CG1 3.36Å; M13-V20 PolarHBondContact N-O 3.46Å; M13-V20 PolarHBondContact O-N 3.48Å; M13-A136 HydrophobicContact CG-CB 3.96Å; M13-L150 HydrophobicContact CG-CD2 3.76Å; M13-L150 HydrophobicContact SD-CD2 3.49Å; M13-L150 WeakPolarHBondContact SD-CD2 3.46Å; M13-L163 HydrophobicContact CB-CD1 4.18Å; M13-L163 HydrophobicContact CE-CB 4.24Å; M13-L163 WeakPolarHBondContact CE-O 3.17Å; M13-L163 HydrophobicContact SD-CD2 4.4Å; M13-A167 VanDerWaalsContact CE-CA 3.49Å; M13-A167 HydrophobicContact CE-CB 3.27Å
14R98.2Very high96.5Very high84 Ų8421.9 Ų21.932%0.31712%0.116SC..EExtended strand (participates in β ladder)trans-100.8120.3173178.9-167.8168.5170.27.2108.9V19 P120 L122 K135R14-V19 HydrophobicContact CB-CG2 4.3Å; R14-V19 HydrophobicContact CG-CG2 4.2Å; R14-P120 HydrophobicContact CG-CB 3.99Å; R14-P120 HydrophobicContact CG-CG 4.11Å; R14-P120 PolarHBondContact NE-O 2.86Å; R14-P120 PolarHBondContact NH2-O 3.36Å; R14-L122 HydrophobicContact CB-CB 4.23Å; R14-L122 HydrophobicContact CB-CD2 4.23Å; R14-K135 WeakPolarHBondContact CA-O 3.35Å; R14-K135 VanDerWaalsContact CB-O 3.28Å; R14-K135 WeakPolarHBondContact CB-O 3.41Å; R14-K135 PolarHBondContact N-O 2.84Å
15G97.5Very high96.3Very high1 Ų122.5 Ų22.51%0.0112%0.118CC..  trans-97.8-164.417300000113.4G18 P120 C155 V156 K158 L163G15-G18 PolarHBondContact N-O 2.66Å; G15-P120 WeakPolarHBondContact O-CG 3.5Å; G15-C155 WeakPolarHBondContact CA-O 3.47Å; G15-V156 CarbonylContact C-O 3.54Å; G15-K158 WeakPolarHBondContact CA-O 3.29Å; G15-L163 VanDerWaalsContact N-CD1 3.25Å
16Q96.4Very high95.9Very high134 Ų13422.4 Ų22.463%0.62612%0.124SC*.SBendtrans-70.8-44.3177.7-173.6-177.216.800111.5P120 V156 K158Q16-P120 WeakPolarHBondContact O-CG 3.41Å; Q16-V156 VanDerWaalsContact CA-O 3.24Å; Q16-V156 WeakPolarHBondContact CA-O 3.42Å; Q16-V156 WeakPolarHBondContact CB-O 3.31Å; Q16-V156 PolarHBondContact N-O 3.33Å; Q16-V156 VanDerWaalsContact N-O 3.14Å; Q16-K158 PolarHBondContact N-O 2.94Å
17D97.1Very high95.5Very high33 Ų3320.4 Ų20.418%0.17611%0.105CC..SBendtrans-113.70.6-168.965-20000113.1W114 P159 V160 S191 E192D17-W114 PolarHBondContact O-NE1 3.38Å; D17-W114 VanDerWaalsContact O-NE1 3.16Å; D17-P159 WeakPolarHBondContact OD1-CA 3.31Å; D17-V160 WeakPolarHBondContact OD1-CB 3.5Å; D17-V160 PolarHBondContact OD1-N 3.23Å; D17-S191 CarbonylContact O-C 3.58Å; D17-S191 WeakPolarHBondContact O-CA 3.41Å; D17-S191 VanDerWaalsContact O-CB 3.26Å; D17-S191 WeakPolarHBondContact O-CB 3.49Å; D17-E192 HydrophobicContact CB-CB 4.32Å; D17-E192 PolarHBondContact O-N 3.35Å
18G98.1Very high95.1Very high0 Ų024.4 Ų24.40%014%0.139CC..EExtended strand (participates in β ladder)trans-179-176.7-175.800000115.4G15 V190G15-G18 PolarHBondContact N-O 2.66Å; G18-V190 CarbonylContact C-O 3.47Å; G18-V190 WeakPolarHBondContact CA-O 3.25Å
19V98.6Very high94.8Very high0 Ų025.6 Ų25.60%015%0.148CC..EExtended strand (participates in β ladder)trans-130.1137.8177.5-175.50000109.2M13 R14 F21 P120 Q121 L122 W189 V190M13-V19 CarbonylContact O-C 3.57Å; M13-V19 VanDerWaalsContact O-CA 3.32Å; M13-V19 WeakPolarHBondContact O-CA 3.38Å; M13-V19 WeakPolarHBondContact O-CG1 3.36Å; R14-V19 HydrophobicContact CB-CG2 4.3Å; R14-V19 HydrophobicContact CG-CG2 4.2Å; V19-F21 HydrophobicContact CG1-CD1 4.44Å; V19-F21 HydrophobicContact CG1-CE1 4.13Å; V19-P120 HydrophobicContact CG2-CB 3.75Å; V19-Q121 WeakPolarHBondContact CG2-O 3.46Å; V19-L122 HydrophobicContact CG1-CB 4.18Å; V19-L122 HydrophobicContact CG1-CD1 4.08Å; V19-L122 HydrophobicContact CG1-CD2 4.35Å; V19-L122 HydrophobicContact CG1-CG 4.44Å; V19-L122 HydrophobicContact CG2-CB 4.41Å; V19-W189 CarbonylContact O-C 3.6Å; V19-W189 WeakPolarHBondContact O-CA 3.43Å; V19-V190 HydrophobicContact CB-CG1 4.09Å; V19-V190 PolarHBondContact N-O 2.83Å; V19-V190 PolarHBondContact O-N 3.07Å
20V98.4Very high94.3Very high1 Ų133.1 Ų33.11%0.00618%0.18CC..EExtended strand (participates in β ladder)trans-114.6136.9176-178.60000110.1V12 M13 V160 L163 A164 M187 S188 W189V12-V20 WeakPolarHBondContact CA-O 3.28Å; M13-V20 PolarHBondContact N-O 3.46Å; M13-V20 PolarHBondContact O-N 3.48Å; V20-V160 HydrophobicContact CG2-CG2 3.37Å; V20-V160 WeakPolarHBondContact CG2-O 3.47Å; V20-L163 HydrophobicContact CG2-CB 4.26Å; V20-A164 HydrophobicContact CG1-CB 4.23Å; V20-A164 HydrophobicContact CG2-CB 4.09Å; V20-M187 HydrophobicContact CG1-CG 3.99Å; V20-M187 HydrophobicContact CG1-SD 4.36Å; V20-S188 WeakPolarHBondContact CA-O 3.49Å; V20-W189 HydrophobicContact CG2-CB 4.39Å
21F98.5Very high94.1Very high1 Ų140.7 Ų40.70%0.00422%0.22CC..EExtended strand (participates in β ladder)trans-109135.8163.3-63.1-25.9000110.1V12 V19 I40 T50 F110 S112 L122 M187 S188V12-F21 HydrophobicContact CB-CD1 3.86Å; V12-F21 HydrophobicContact CB-CE1 4.01Å; V12-F21 HydrophobicContact CG1-CD1 3.37Å; V12-F21 HydrophobicContact CG1-CE1 3.63Å; V12-F21 HydrophobicContact CG1-CG 4.32Å; V19-F21 HydrophobicContact CG1-CD1 4.44Å; V19-F21 HydrophobicContact CG1-CE1 4.13Å; F21-I40 HydrophobicContact CB-CD1 3.86Å; F21-I40 HydrophobicContact CB-CG1 4.27Å; F21-T50 HydrophobicContact CB-CG2 4.05Å; F21-T50 HydrophobicContact CD1-CG2 3.71Å; F21-T50 HydrophobicContact CD2-CG2 3.62Å; F21-T50 HydrophobicContact CE1-CG2 3.88Å; F21-T50 HydrophobicContact CE2-CG2 3.82Å; F21-T50 HydrophobicContact CG-CG2 3.54Å; F21-T50 HydrophobicContact CZ-CG2 3.92Å; F21-F110 HydrophobicContact CE1-CB 4.02Å; F21-F110 HydrophobicContact CZ-CB 3.96Å; F21-S112 WeakPolarHBondContact CE2-OG 3.36Å; F21-S112 WeakPolarHBondContact CZ-OG 3.5Å; F21-L122 HydrophobicContact CE1-CD1 3.68Å; F21-L122 HydrophobicContact CZ-CD1 4.32Å; F21-M187 VanDerWaalsContact O-CA 3.25Å; F21-M187 WeakPolarHBondContact O-CA 3.5Å; F21-M187 VanDerWaalsContact O-CG 3.29Å; F21-M187 WeakPolarHBondContact O-CG 3.19Å; F21-S188 PolarHBondContact N-O 3.39Å; F21-S188 PolarHBondContact O-N 2.95Å
22L97.9Very high93.6Very high0 Ų044 Ų440%024%0.237CC..EExtended strand (participates in β ladder)trans-128.6123.9168.4-175.268.6000108.8C10 I11 A167 V168 M171 L185 E186 M187C10-L22 CarbonylContact C-O 3.6Å; C10-L22 WeakPolarHBondContact CA-O 3.36Å; C10-L22 PolarHBondContact SG-O 2.98Å; I11-L22 HydrophobicContact CB-CB 4.49Å; I11-L22 PolarHBondContact N-O 3.44Å; I11-L22 PolarHBondContact O-N 3.07Å; L22-A167 HydrophobicContact CB-CB 4.01Å; L22-A167 HydrophobicContact CD2-CB 3.65Å; L22-A167 WeakPolarHBondContact CD2-O 3.46Å; L22-A167 HydrophobicContact CG-CB 4.41Å; L22-V168 HydrophobicContact CD1-CG2 4.44Å; L22-V168 HydrophobicContact CD2-CG2 4.32Å; L22-M171 HydrophobicContact CD2-CB 3.73Å; L22-M171 HydrophobicContact CD2-CE 4.04Å; L22-M171 HydrophobicContact CD2-CG 4.24Å; L22-M171 HydrophobicContact CG-CE 4.13Å; L22-L185 HydrophobicContact CD1-CB 4.06Å; L22-L185 HydrophobicContact CD1-CD1 4.38Å; L22-L185 HydrophobicContact CD1-CD2 4.16Å; L22-L185 HydrophobicContact CD1-CG 4.43Å; L22-L185 HydrophobicContact CG-CD2 4.39Å; L22-E186 CarbonylContact C-O 3.6Å; L22-E186 WeakPolarHBondContact CA-O 3.37Å; L22-M187 HydrophobicContact CD1-CB 3.96Å; L22-M187 HydrophobicContact CD1-CE 3.67Å; L22-M187 HydrophobicContact CD1-CG 4.18Å
23A96.2Very high93.1Very high2 Ų251.8 Ų51.82%0.01727%0.271CS..EExtended strand (participates in β ladder)trans-120.4129.1176.500000110.3R39 I40 E186A23-R39 HydrophobicContact CB-CB 3.88Å; A23-I40 HydrophobicContact CB-CD1 4.01Å; A23-I40 HydrophobicContact CB-CG1 4.07Å; A23-E186 HydrophobicContact CB-CB 4.5Å; A23-E186 PolarHBondContact N-O 2.93Å; A23-E186 PolarHBondContact O-N 2.87Å
24E93.4Very high92.3Very high5 Ų555.4 Ų55.42%0.02330%0.297CS..EExtended strand (participates in β ladder)trans-76126.8166.9-175.6-160.2171.300109N8 T9 K141 M171 F183N8-E24 HydrophobicContact CB-CB 4.2Å; N8-E24 HydrophobicContact CB-CG 4.42Å; N8-E24 WeakPolarHBondContact CB-O 3.26Å; N8-E24 PolarHBondContact ND2-O 3.28Å; T9-E24 WeakPolarHBondContact CB-OE2 3.32Å; T9-E24 PolarHBondContact N-OE2 3.25Å; T9-E24 VanDerWaalsContact O-CB 3.25Å; T9-E24 WeakPolarHBondContact O-CB 3.36Å; T9-E24 PolarHBondContact O-N 2.77Å; T9-E24 PolarHBondContact OG1-OE2 2.95Å; E24-K141 WeakPolarHBondContact OE1-CE 3.18Å; E24-K141 IonicContact OE1-NZ 2.73Å; E24-K141 PolarHBondContact OE1-NZ 3.46Å; E24-K141 WeakPolarHBondContact OE2-CE 3.26Å; E24-K141 IonicContact OE2-NZ 2.69Å; E24-M171 HydrophobicContact CB-CE 4.07Å; E24-M171 HydrophobicContact CB-SD 3.99Å; E24-F183 HydrophobicContact CG-CB 4.21Å; E24-F183 HydrophobicContact CG-CD2 4Å; E24-F183 HydrophobicContact CG-CG 4.4Å
25K91.2Very high91.6Very high14 Ų1456.2 Ų56.26%0.06131%0.311CS..EExtended strand (participates in β ladder)trans-120.1104.4173.9-172.1175.865.6-176.50110.9I27 S34 T36 N37 F183 V184 E186K25-I27 PolarHBondContact O-N 2.97Å; K25-S34 PolarHBondContact NZ-O 3.5Å; K25-T36 WeakPolarHBondContact CD-O 3.4Å; K25-T36 WeakPolarHBondContact CE-O 3.2Å; K25-T36 PolarHBondContact NZ-O 3.16Å; K25-N37 VanDerWaalsContact CD-O 3.3Å; K25-N37 WeakPolarHBondContact CD-O 3.41Å; K25-F183 CarbonylContact O-C 3.55Å; K25-F183 VanDerWaalsContact O-CA 3.25Å; K25-F183 WeakPolarHBondContact O-CA 3.39Å; K25-V184 WeakPolarHBondContact CB-O 3.32Å; K25-V184 PolarHBondContact N-O 2.92Å; K25-V184 PolarHBondContact O-N 3.23Å; K25-E186 WeakPolarHBondContact CE-OE1 3.44Å; K25-E186 IonicContact NZ-OE1 3.51Å; K25-E186 PolarHBondContact NZ-OE1 3.42Å
26A86.4Confident91.1Very high47 Ų4758.4 Ų58.439%0.38832%0.324SS..EExtended strand (participates in β ladder)trans-59.8129.1169.400000111.2N8N8-A26 PolarHBondContact ND2-N 3.27Å
27I84.8Confident90.7Very high53 Ų5355.9 Ų55.927%0.27232%0.315SS..  trans-91.8106.1174.6-61.5166.2000108.3K25 T29 Y182 V184K25-I27 PolarHBondContact O-N 2.97Å; I27-T29 VanDerWaalsContact C-N 3.28Å; I27-T29 WeakPolarHBondContact CG2-O 3.35Å; I27-T29 PolarHBondContact O-N 2.89Å; I27-Y182 PolarHBondContact N-O 2.95Å; I27-V184 HydrophobicContact CD1-CB 4.48Å; I27-V184 HydrophobicContact CD1-CG2 3.43Å; I27-V184 VanDerWaalsContact CD1-CG2 3.43Å; I27-V184 HydrophobicContact CG1-CG2 4.05Å
28A84.6Confident90.5Very high97 Ų9756.4 Ų56.480%0.80232%0.319SS*.SBendtrans-65.4-31.8178.600000113.1L32A28-L32 HydrophobicContact CB-CD1 4.45Å
29T86.8Confident90.4Very high59 Ų5957.9 Ų57.936%0.36233%0.325SS..  trans-152.6144178.7176.50000110.8I27 L31 L32I27-T29 VanDerWaalsContact C-N 3.28Å; I27-T29 WeakPolarHBondContact CG2-O 3.35Å; I27-T29 PolarHBondContact O-N 2.89Å; T29-L31 HydrophobicContact CG2-CB 4.11Å; T29-L31 PolarHBondContact O-N 3.4Å; T29-L31 VanDerWaalsContact O-N 3.08Å; T29-L31 PolarHBondContact OG1-N 3.37Å; T29-L32 HydrophobicContact CG2-CB 4.43Å; T29-L32 HydrophobicContact CG2-CD1 3.84Å; T29-L32 HydrophobicContact CG2-CG 3.62Å; T29-L32 PolarHBondContact O-N 2.94Å; T29-L32 VanDerWaalsContact O-N 3.14Å
30K85.6Confident90.3Very high159 Ų15958.1 Ų58.169%0.69133%0.326SS*.THydrogen-bonded Turntrans-62-13.8175.2-62.4-177.1179.6-178.10113.1L32 Y182K30-L32 VanDerWaalsContact C-N 3.34Å; K30-Y182 PolarHBondContact NZ-OH 2.91Å
31L91.1Very high90.2Very high161 Ų16159.4 Ų59.484%0.84334%0.335SS*.THydrogen-bonded Turntrans-77.1-18.7177.8-58.7177.6000113.3T29T29-L31 HydrophobicContact CG2-CB 4.11Å; T29-L31 PolarHBondContact O-N 3.4Å; T29-L31 VanDerWaalsContact O-N 3.08Å; T29-L31 PolarHBondContact OG1-N 3.37Å
32L88.2Confident90.2Very high72 Ų7262.1 Ų62.138%0.37736%0.355SS..SBendtrans-77.4136.2176.2-68.7167.7000109.8A28 T29 K30 T36A28-L32 HydrophobicContact CB-CD1 4.45Å; T29-L32 HydrophobicContact CG2-CB 4.43Å; T29-L32 HydrophobicContact CG2-CD1 3.84Å; T29-L32 HydrophobicContact CG2-CG 3.62Å; T29-L32 PolarHBondContact O-N 2.94Å; T29-L32 VanDerWaalsContact O-N 3.14Å; K30-L32 VanDerWaalsContact C-N 3.34Å; L32-T36 HydrophobicContact CD2-CG2 4.01Å
33K87.7Confident90.2Very high162 Ų16262.8 Ų62.870%0.70436%0.358SS*.  trans-60.9146.3167.6-68-176.5177.5-179.40109.6T35 T36K33-T35 PolarHBondContact O-N 3.41Å; K33-T36 WeakPolarHBondContact O-CB 3.4Å; K33-T36 PolarHBondContact O-N 3.3Å; K33-T36 PolarHBondContact O-OG1 3.47Å
34S81.3Confident90.2Very high79 Ų7964.7 Ų64.755%0.55237%0.368SS*.THydrogen-bonded Turntrans-60.8-17.6176.156.10000113.3K25K25-S34 PolarHBondContact NZ-O 3.5Å
35T84.3Confident90.4Very high101 Ų10169.6 Ų69.662%0.6239%0.391SS*.THydrogen-bonded Turntrans-90.51.9176.960.50000113.7K33 T38K33-T35 PolarHBondContact O-N 3.41Å; T35-T38 WeakPolarHBondContact O-CG2 3.29Å
36T87.5Confident90.7Very high47 Ų4770.3 Ų70.329%0.28840%0.395SS..SBendtrans-82.4146.9-179.8-56.80000111.1K25 L32 K33 T38K25-T36 WeakPolarHBondContact CD-O 3.4Å; K25-T36 WeakPolarHBondContact CE-O 3.2Å; K25-T36 PolarHBondContact NZ-O 3.16Å; L32-T36 HydrophobicContact CD2-CG2 4.01Å; K33-T36 WeakPolarHBondContact O-CB 3.4Å; K33-T36 PolarHBondContact O-N 3.3Å; K33-T36 PolarHBondContact O-OG1 3.47Å; T36-T38 PolarHBondContact O-N 3.39Å
37N87.8Confident91.3Very high80 Ų8068 Ų6843%0.42838%0.376SS..SBendtrans55.947.9176.6-60.8-22.8000114.2K25 R39K25-N37 VanDerWaalsContact CD-O 3.3Å; K25-N37 WeakPolarHBondContact CD-O 3.41Å; N37-R39 PolarHBondContact O-N 3.21Å
38T92.6Very high91.9Very high44 Ų4465.5 Ų65.527%0.2736%0.363SS..  trans-61.4133.217857.40000111.2T35 T36 Y55 E186T35-T38 WeakPolarHBondContact O-CG2 3.29Å; T36-T38 PolarHBondContact O-N 3.39Å; T38-Y55 WeakPolarHBondContact O-CE2 3.39Å; T38-E186 WeakPolarHBondContact CA-OE1 3.49Å; T38-E186 VanDerWaalsContact CA-OE2 3.28Å; T38-E186 WeakPolarHBondContact CA-OE2 3.4Å; T38-E186 WeakPolarHBondContact CG2-OE1 3.34Å
39R94.9Very high92.6Very high32 Ų3261 Ų6112%0.12133%0.326CS..SBendtrans-95.2-17.6177.5-69.6-69.4-173.5156.84.7112.4A23 N37 T50 C51 G53 E186A23-R39 HydrophobicContact CB-CB 3.88Å; N37-R39 PolarHBondContact O-N 3.21Å; R39-T50 WeakPolarHBondContact O-CA 3.27Å; R39-T50 PolarHBondContact O-OG1 2.95Å; R39-C51 PolarHBondContact O-N 3.4Å; R39-C51 PolarHBondContact O-SG 3Å; R39-G53 PolarHBondContact NH1-O 3.31Å; R39-G53 PolarHBondContact NH2-O 3.11Å; R39-E186 PolarHBondContact N-OE2 2.9Å
40I97.3Very high93.1Very high5 Ų558.2 Ų58.23%0.02631%0.308CS..EExtended strand (participates in β ladder)trans-106.3136.9175.8-67.3172.6000109.3F21 A23 F49 T50 E186 S188 I200F21-I40 HydrophobicContact CB-CD1 3.86Å; F21-I40 HydrophobicContact CB-CG1 4.27Å; A23-I40 HydrophobicContact CB-CD1 4.01Å; A23-I40 HydrophobicContact CB-CG1 4.07Å; I40-F49 CarbonylContact C-O 3.46Å; I40-F49 WeakPolarHBondContact CA-O 3.43Å; I40-T50 WeakPolarHBondContact CG1-OG1 3.3Å; I40-E186 HydrophobicContact CD1-CB 3.97Å; I40-E186 WeakPolarHBondContact CD1-O 3.13Å; I40-S188 WeakPolarHBondContact CG2-OG 3.34Å; I40-I200 HydrophobicContact CG2-CD1 3.88Å
41S97Very high93.6Very high27 Ų2751 Ų5119%0.18928%0.277CS..EExtended strand (participates in β ladder)trans-154170.4177.7-67.50000110.4F49 H198S41-F49 PolarHBondContact N-O 3.27Å; S41-F49 PolarHBondContact O-N 3.31Å; S41-F49 VanDerWaalsContact O-O 3.08Å; S41-H198 PolarHBondContact O-CE1 3.06Å
42S97.8Very high93.9Very high59 Ų5943.3 Ų43.341%0.41324%0.238SC..EExtended strand (participates in β ladder)trans-99.4136.7168.9-56.20000109.1I47 H198S42-I47 WeakPolarHBondContact CA-O 3.48Å; S42-H198 PolarHBondContact OG-ND1 3.28Å
43V98Very high94.3Very high13 Ų1340.1 Ų40.18%0.07922%0.222CC..EExtended strand (participates in β ladder)trans-82.2-44.1167.91640000110I47 F49 L62 C65 A69 L85 L111V43-I47 HydrophobicContact CB-CB 4.3Å; V43-I47 HydrophobicContact CB-CG2 4.07Å; V43-I47 PolarHBondContact N-O 3.25Å; V43-F49 HydrophobicContact CG2-CB 3.73Å; V43-F49 HydrophobicContact CG2-CD2 3.92Å; V43-F49 HydrophobicContact CG2-CG 4.18Å; V43-L62 HydrophobicContact CG2-CD1 3.73Å; V43-C65 HydrophobicContact CG1-CB 3.89Å; V43-C65 VanDerWaalsContact CG1-O 3.3Å; V43-C65 WeakPolarHBondContact CG1-O 3.39Å; V43-C65 HydrophobicContact CG2-CB 3.71Å; V43-A69 HydrophobicContact CG1-CB 4.06Å; V43-L85 HydrophobicContact CG1-CD2 3.8Å; V43-L111 HydrophobicContact CG2-CD2 4.13Å
44D96.8Very high94.6Very high42 Ų4237.2 Ų37.223%0.22521%0.209CC..EExtended strand (participates in β ladder)trans-142174.7174.3-161.6-9.2000107.8H46 I47 A69D44-H46 PolarHBondContact O-N 3.4Å; D44-H46 VanDerWaalsContact O-N 3.1Å; D44-H46 IonicContact OD2-CE1 2.75Å; D44-H46 PolarHBondContact OD2-CE1 2.97Å; D44-H46 VanDerWaalsContact OD2-CE1 3.3Å; D44-H46 IonicContact OD2-ND1 3.64Å; D44-I47 PolarHBondContact O-N 3.42Å; D44-A69 HydrophobicContact CB-CB 4.35Å
45E96.2Very high95.3Very high109 Ų10935.7 Ų35.751%0.50919%0.192SC..THydrogen-bonded Turntrans-53.3-35.4-178.3-66.8-175.7156.600113.1K79 R197 H198E45-K79 IonicContact OE2-NZ 3.71Å; E45-K79 PolarHBondContact OE2-NZ 2.68Å; E45-R197 CarbonylContact O-C 3.55Å; E45-R197 VanDerWaalsContact O-CA 3.29Å; E45-R197 WeakPolarHBondContact O-CA 3.36Å; E45-R197 WeakPolarHBondContact O-CG 3.42Å; E45-H198 PolarHBondContact O-N 3.18Å
46H97.5Very high95.8Very high28 Ų2834.2 Ų34.213%0.1318%0.184CC..THydrogen-bonded Turntrans-103.4-4.3-175.864.7-57.8000114.5D44 I80 S113 G196D44-H46 PolarHBondContact O-N 3.4Å; D44-H46 VanDerWaalsContact O-N 3.1Å; D44-H46 IonicContact OD2-CE1 2.75Å; D44-H46 PolarHBondContact OD2-CE1 2.97Å; D44-H46 VanDerWaalsContact OD2-CE1 3.3Å; D44-H46 IonicContact OD2-ND1 3.64Å; H46-I80 PolarHBondContact NE2-O 3.06Å; H46-S113 WeakPolarHBondContact O-CA 3.19Å; H46-S113 WeakPolarHBondContact O-CB 3.32Å; H46-G196 WeakPolarHBondContact CA-O 3.4Å; H46-G196 WeakPolarHBondContact CB-O 3.39Å
47I98.5Very high96.3Very high0 Ų032.4 Ų32.40%017%0.173CC..EExtended strand (participates in β ladder)trans-117.9115.6-177.1-59.8179.7000110.9S42 V43 D44 I80 C82 L85 L111 S112S42-I47 WeakPolarHBondContact CA-O 3.48Å; V43-I47 HydrophobicContact CB-CB 4.3Å; V43-I47 HydrophobicContact CB-CG2 4.07Å; V43-I47 PolarHBondContact N-O 3.25Å; D44-I47 PolarHBondContact O-N 3.42Å; I47-I80 HydrophobicContact CD1-CG2 3.79Å; I47-C82 HydrophobicContact CD1-CB 4.35Å; I47-L85 HydrophobicContact CD1-CD2 3.62Å; I47-L85 HydrophobicContact CG2-CD2 4Å; I47-L111 HydrophobicContact CG2-CB 4.41Å; I47-L111 HydrophobicContact CG2-CD2 4.04Å; I47-S112 CarbonylContact C-O 3.49Å; I47-S112 VanDerWaalsContact CA-O 3.25Å; I47-S112 WeakPolarHBondContact CA-O 3.35Å
48G98.4Very high96.7Very high0 Ų028.6 Ų28.60%015%0.152CC..EExtended strand (participates in β ladder)trans-80.7149.9168.500000112.2L111 S112 H198G48-L111 WeakPolarHBondContact O-CA 3.16Å; G48-S112 PolarHBondContact N-O 3.48Å; G48-S112 PolarHBondContact O-N 3.08Å; G48-H198 WeakPolarHBondContact CA-CD2 3.4Å; G48-H198 WeakPolarHBondContact CA-NE2 3.44Å
49F98.6Very high96.9Very high3 Ų331.8 Ų31.81%0.01316%0.159CC..EExtended strand (participates in β ladder)trans-131.7132.5174.1178.4-79.7000110.3I40 S41 V43 C51 C58 L61 L62 I109 F110 L111I40-F49 CarbonylContact C-O 3.46Å; I40-F49 WeakPolarHBondContact CA-O 3.43Å; S41-F49 PolarHBondContact N-O 3.27Å; S41-F49 PolarHBondContact O-N 3.31Å; S41-F49 VanDerWaalsContact O-O 3.08Å; V43-F49 HydrophobicContact CG2-CB 3.73Å; V43-F49 HydrophobicContact CG2-CD2 3.92Å; V43-F49 HydrophobicContact CG2-CG 4.18Å; F49-C51 HydrophobicContact CE1-CB 3.76Å; F49-C51 HydrophobicContact CZ-CB 4.18Å; F49-C58 WeakPolarHBondContact CZ-O 3.19Å; F49-L61 HydrophobicContact CZ-CB 4.45Å; F49-L62 HydrophobicContact CB-CD1 3.97Å; F49-L62 HydrophobicContact CD1-CB 4.26Å; F49-L62 HydrophobicContact CD1-CD1 3.94Å; F49-L62 HydrophobicContact CD2-CD1 4.16Å; F49-L62 HydrophobicContact CE1-CB 3.91Å; F49-L62 HydrophobicContact CE1-CD1 4.45Å; F49-L62 HydrophobicContact CE2-CB 4.24Å; F49-L62 HydrophobicContact CG-CD1 3.78Å; F49-L62 HydrophobicContact CZ-CB 3.9Å; F49-I109 HydrophobicContact CE1-CG2 4.45Å; F49-I109 HydrophobicContact CE2-CB 3.88Å; F49-I109 HydrophobicContact CE2-CD1 3.88Å; F49-I109 HydrophobicContact CE2-CG1 4.48Å; F49-I109 HydrophobicContact CE2-CG2 3.85Å; F49-I109 HydrophobicContact CZ-CB 3.99Å; F49-I109 HydrophobicContact CZ-CG2 3.52Å; F49-F110 WeakPolarHBondContact CA-O 3.25Å; F49-L111 HydrophobicContact CB-CD2 4.35Å; F49-L111 HydrophobicContact CD2-CD2 3.75Å
50T98.2Very high97Very high0 Ų032.5 Ų32.50%017%0.172CC..EExtended strand (participates in β ladder)trans-137.4160166.2-171.30000110.7C10 V12 F21 R39 I40 I109 F110C10-T50 PolarHBondContact SG-OG1 3.26Å; C10-T50 VanDerWaalsContact SG-OG1 3.33Å; V12-T50 HydrophobicContact CG1-CG2 3.74Å; F21-T50 HydrophobicContact CB-CG2 4.05Å; F21-T50 HydrophobicContact CD1-CG2 3.71Å; F21-T50 HydrophobicContact CD2-CG2 3.62Å; F21-T50 HydrophobicContact CE1-CG2 3.88Å; F21-T50 HydrophobicContact CE2-CG2 3.82Å; F21-T50 HydrophobicContact CG-CG2 3.54Å; F21-T50 HydrophobicContact CZ-CG2 3.92Å; R39-T50 WeakPolarHBondContact O-CA 3.27Å; R39-T50 PolarHBondContact O-OG1 2.95Å; I40-T50 WeakPolarHBondContact CG1-OG1 3.3Å; T50-I109 CarbonylContact O-C 3.53Å; T50-I109 WeakPolarHBondContact O-CA 3.23Å; T50-F110 HydrophobicContact CG2-CB 3.76Å; T50-F110 HydrophobicContact CG2-CD2 4.01Å; T50-F110 HydrophobicContact CG2-CG 4.31Å; T50-F110 PolarHBondContact N-O 2.87Å; T50-F110 PolarHBondContact O-N 3.3Å
51C96.9Very high97.1Very high6 Ų632.4 Ų32.44%0.04117%0.171CC..EExtended strand (participates in β ladder)trans-150.9154.2-171.964.60000113.4R39 F49 C58 F108 I109R39-C51 PolarHBondContact O-N 3.4Å; R39-C51 PolarHBondContact O-SG 3Å; F49-C51 HydrophobicContact CE1-CB 3.76Å; F49-C51 HydrophobicContact CZ-CB 4.18Å; C51-C58 HydrophobicContact CB-CB 3.66Å; C51-C58 VanDerWaalsContact CB-SG 3.55Å; C51-C58 WeakPolarHBondContact SG-CB 3.43Å; C51-F108 CarbonylContact C-O 3.54Å; C51-F108 VanDerWaalsContact CA-O 3.29Å; C51-F108 WeakPolarHBondContact CA-O 3.2Å; C51-I109 HydrophobicContact CB-CG2 4.02Å
52S96.4Very high97.1Very high1 Ų131.8 Ų31.81%0.00717%0.166CC..EExtended strand (participates in β ladder)trans-138.7148.7169.2-173.10000110.4S7 N8 C107 F108S7-S52 WeakPolarHBondContact CB-OG 3.45Å; N8-S52 PolarHBondContact O-OG 3.04Å; S52-C107 CarbonylContact O-C 3.53Å; S52-C107 VanDerWaalsContact O-CA 3.25Å; S52-C107 WeakPolarHBondContact O-CA 3.13Å; S52-C107 WeakPolarHBondContact O-CB 3.45Å; S52-F108 PolarHBondContact N-O 2.84Å; S52-F108 PolarHBondContact O-N 3.33Å
53G96.2Very high97.1Very high4 Ų432.3 Ų32.34%0.04117%0.167CC..EExtended strand (participates in β ladder)trans112.6-153.4-172.400000113.4S7 R39 Y55 G106S7-G53 PolarHBondContact OG-N 3.23Å; S7-G53 PolarHBondContact OG-O 3.09Å; R39-G53 PolarHBondContact NH1-O 3.31Å; R39-G53 PolarHBondContact NH2-O 3.11Å; G53-Y55 PolarHBondContact O-N 2.71Å; G53-Y55 VanDerWaalsContact O-N 3.16Å; G53-G106 WeakPolarHBondContact CA-O 3.49Å
54F95.4Very high97.1Very high102 Ų10233.1 Ų33.145%0.44717%0.169SC..  trans-65.8112.1-175.2-170.7-126.6000111.1P56 D57 C58 G106F54-P56 HydrophobicContact CD1-CB 4.43Å; F54-P56 HydrophobicContact CD1-CG 4.38Å; F54-P56 HydrophobicContact CE1-CB 3.99Å; F54-P56 HydrophobicContact CE1-CG 3.84Å; F54-P56 HydrophobicContact CE2-CG 4.18Å; F54-P56 HydrophobicContact CZ-CB 4.37Å; F54-P56 HydrophobicContact CZ-CG 3.73Å; F54-D57 HydrophobicContact CB-CB 4.4Å; F54-D57 HydrophobicContact CD1-CB 4.13Å; F54-D57 WeakPolarHBondContact CD1-OD1 3.01Å; F54-D57 WeakPolarHBondContact O-CB 3.47Å; F54-D57 PolarHBondContact O-N 3.1Å; F54-D57 VanDerWaalsContact O-N 3.13Å; F54-C58 PolarHBondContact O-N 3.44Å; F54-C58 VanDerWaalsContact O-N 3.13Å; F54-C58 PolarHBondContact O-SG 2.98Å; F54-G106 PolarHBondContact N-O 3.16Å
55Y94.1Very high97.2Very high47 Ų4731.1 Ų31.118%0.18416%0.159CC..Hα-helixtrans-60-40.9-167.5-179.9-109.7000115T38 G53 D57 C58 R59T38-Y55 WeakPolarHBondContact O-CE2 3.39Å; G53-Y55 PolarHBondContact O-N 2.71Å; G53-Y55 VanDerWaalsContact O-N 3.16Å; Y55-D57 VanDerWaalsContact C-N 3.29Å; Y55-D57 PolarHBondContact O-N 3Å; Y55-C58 WeakPolarHBondContact O-CB 3.48Å; Y55-C58 PolarHBondContact O-N 2.74Å; Y55-R59 HydrophobicContact CD1-CG 4.4Å; Y55-R59 HydrophobicContact CD2-CG 4.41Å; Y55-R59 HydrophobicContact CE1-CG 3.96Å; Y55-R59 HydrophobicContact CE2-CG 3.97Å; Y55-R59 WeakPolarHBondContact O-CG 3.13Å; Y55-R59 PolarHBondContact O-N 3.14Å; Y55-R59 PolarHBondContact OH-NH1 2.69Å
56P95.9Very high97.3Very high69 Ų6927 Ų2745%0.44814%0.142SC..Hα-helixtrans-59.7-38.9175.5-26.136.8000113.2F54 R59 A60F54-P56 HydrophobicContact CD1-CB 4.43Å; F54-P56 HydrophobicContact CD1-CG 4.38Å; F54-P56 HydrophobicContact CE1-CB 3.99Å; F54-P56 HydrophobicContact CE1-CG 3.84Å; F54-P56 HydrophobicContact CE2-CG 4.18Å; F54-P56 HydrophobicContact CZ-CB 4.37Å; F54-P56 HydrophobicContact CZ-CG 3.73Å; P56-R59 PolarHBondContact O-N 2.88Å; P56-A60 PolarHBondContact O-N 2.81Å
57D97Very high97.3Very high10 Ų1030.7 Ų30.75%0.05316%0.159CC..Hα-helixtrans-65.7-42.2176.7-77.113.7000111F54 Y55 R59 A60 L61 R103 F105 G106 C107F54-D57 HydrophobicContact CB-CB 4.4Å; F54-D57 HydrophobicContact CD1-CB 4.13Å; F54-D57 WeakPolarHBondContact CD1-OD1 3.01Å; F54-D57 WeakPolarHBondContact O-CB 3.47Å; F54-D57 PolarHBondContact O-N 3.1Å; F54-D57 VanDerWaalsContact O-N 3.13Å; Y55-D57 VanDerWaalsContact C-N 3.29Å; Y55-D57 PolarHBondContact O-N 3Å; D57-R59 VanDerWaalsContact C-N 3.27Å; D57-R59 PolarHBondContact O-N 3.47Å; D57-A60 PolarHBondContact O-N 3.19Å; D57-L61 PolarHBondContact O-N 3Å; D57-R103 IonicContact OD1-CZ 3.37Å; D57-R103 IonicContact OD1-NH1 3.87Å; D57-R103 PolarHBondContact OD1-NH1 2.82Å; D57-R103 IonicContact OD1-NH2 3.89Å; D57-R103 PolarHBondContact OD1-NH2 3.02Å; D57-R103 IonicContact OD2-CZ 3.62Å; D57-R103 IonicContact OD2-NH1 3.03Å; D57-R103 PolarHBondContact OD2-NH1 2.72Å; D57-R103 IonicContact OD2-NH2 3.6Å; D57-F105 HydrophobicContact CB-CD1 3.92Å; D57-G106 PolarHBondContact OD2-N 2.88Å; D57-C107 HydrophobicContact CB-CB 4.42Å
58C96.9Very high97.3Very high0 Ų033.1 Ų33.10%017%0.171CC..Hα-helixtrans-57.2-42.7173.7-57.20000112.1F49 C51 F54 Y55 L61 L62 C107F49-C58 WeakPolarHBondContact CZ-O 3.19Å; C51-C58 HydrophobicContact CB-CB 3.66Å; C51-C58 VanDerWaalsContact CB-SG 3.55Å; C51-C58 WeakPolarHBondContact SG-CB 3.43Å; F54-C58 PolarHBondContact O-N 3.44Å; F54-C58 VanDerWaalsContact O-N 3.13Å; F54-C58 PolarHBondContact O-SG 2.98Å; Y55-C58 WeakPolarHBondContact O-CB 3.48Å; Y55-C58 PolarHBondContact O-N 2.74Å; C58-L61 PolarHBondContact O-N 3.1Å; C58-L62 PolarHBondContact O-N 2.91Å; C58-C107 WeakPolarHBondContact SG-CB 3.49Å
59R96.9Very high97.3Very high110 Ų11033.2 Ų33.242%0.41517%0.172SC..Hα-helixtrans-69.5-37.4179.9-70.5-62.2-58.6-96.9-3.8112.1Y55 P56 D57 L61 L62 V63Y55-R59 HydrophobicContact CD1-CG 4.4Å; Y55-R59 HydrophobicContact CD2-CG 4.41Å; Y55-R59 HydrophobicContact CE1-CG 3.96Å; Y55-R59 HydrophobicContact CE2-CG 3.97Å; Y55-R59 WeakPolarHBondContact O-CG 3.13Å; Y55-R59 PolarHBondContact O-N 3.14Å; Y55-R59 PolarHBondContact OH-NH1 2.69Å; P56-R59 PolarHBondContact O-N 2.88Å; D57-R59 VanDerWaalsContact C-N 3.27Å; D57-R59 PolarHBondContact O-N 3.47Å; R59-L61 VanDerWaalsContact C-N 3.34Å; R59-L62 PolarHBondContact O-N 3.4Å; R59-V63 WeakPolarHBondContact O-CG2 3.29Å; R59-V63 PolarHBondContact O-N 3.11Å
60A97.5Very high97.3Very high48 Ų4838.6 Ų38.640%0.39720%0.197SC..Hα-helixtrans-61.2-44.2173.600000111.3P56 D57 V63 H64 F105P56-A60 PolarHBondContact O-N 2.81Å; D57-A60 PolarHBondContact O-N 3.19Å; A60-V63 PolarHBondContact O-N 3.48Å; A60-H64 WeakPolarHBondContact O-CB 3.25Å; A60-H64 PolarHBondContact O-N 3.33Å; A60-F105 HydrophobicContact CB-CE1 4.4Å
61L98.1Very high97.2Very high2 Ų241.7 Ų41.71%0.0121%0.214CC..Hα-helixtrans-67.2-37.1176.2-69.3179.7000113F49 D57 C58 R59 V63 H64 C65 Y92 V93 F105 C107 I109F49-L61 HydrophobicContact CZ-CB 4.45Å; D57-L61 PolarHBondContact O-N 3Å; C58-L61 PolarHBondContact O-N 3.1Å; R59-L61 VanDerWaalsContact C-N 3.34Å; L61-V63 VanDerWaalsContact C-N 3.34Å; L61-V63 PolarHBondContact O-N 2.76Å; L61-H64 PolarHBondContact O-N 2.83Å; L61-C65 WeakPolarHBondContact O-CB 3.5Å; L61-C65 PolarHBondContact O-N 2.82Å; L61-C65 PolarHBondContact O-SG 2.99Å; L61-Y92 HydrophobicContact CD2-CD1 3.87Å; L61-Y92 HydrophobicContact CD2-CE1 3.99Å; L61-V93 HydrophobicContact CD1-CG2 3.87Å; L61-V93 HydrophobicContact CD2-CG2 3.67Å; L61-V93 HydrophobicContact CG-CG2 4.46Å; L61-F105 HydrophobicContact CD1-CD1 4.15Å; L61-F105 HydrophobicContact CD1-CG 4.24Å; L61-F105 HydrophobicContact CD2-CD1 4.14Å; L61-F105 HydrophobicContact CD2-CD2 4.29Å; L61-F105 HydrophobicContact CD2-CE1 3.86Å; L61-F105 HydrophobicContact CD2-CE2 3.99Å; L61-F105 HydrophobicContact CD2-CG 4.37Å; L61-F105 HydrophobicContact CD2-CZ 3.79Å; L61-F105 HydrophobicContact CG-CD1 3.95Å; L61-F105 HydrophobicContact CG-CE1 3.95Å; L61-F105 HydrophobicContact CG-CG 4.4Å; L61-F105 HydrophobicContact CG-CZ 4.4Å; L61-C107 WeakPolarHBondContact CD1-SG 3.47Å; L61-I109 HydrophobicContact CB-CD1 4.35Å; L61-I109 HydrophobicContact CB-CG2 4.39Å; L61-I109 HydrophobicContact CD1-CD1 4.14Å; L61-I109 HydrophobicContact CD1-CG2 3.83Å
62L98.2Very high97.3Very high15 Ų1543 Ų438%0.07922%0.218CC..Hα-helixtrans-58.8-46.1173.1173.262.4000111.4V43 F49 C58 R59 C65 S66V43-L62 HydrophobicContact CG2-CD1 3.73Å; F49-L62 HydrophobicContact CB-CD1 3.97Å; F49-L62 HydrophobicContact CD1-CB 4.26Å; F49-L62 HydrophobicContact CD1-CD1 3.94Å; F49-L62 HydrophobicContact CD2-CD1 4.16Å; F49-L62 HydrophobicContact CE1-CB 3.91Å; F49-L62 HydrophobicContact CE1-CD1 4.45Å; F49-L62 HydrophobicContact CE2-CB 4.24Å; F49-L62 HydrophobicContact CG-CD1 3.78Å; F49-L62 HydrophobicContact CZ-CB 3.9Å; C58-L62 PolarHBondContact O-N 2.91Å; R59-L62 PolarHBondContact O-N 3.4Å; L62-C65 PolarHBondContact O-N 3.3Å; L62-S66 WeakPolarHBondContact O-CB 3.48Å; L62-S66 PolarHBondContact O-N 3.05Å; L62-S66 PolarHBondContact O-OG 3.2Å
63V98.2Very high97.3Very high70 Ų7048.5 Ų48.542%0.42424%0.239SC..Hα-helixtrans-62.8-49.2177.8172.70000110.2R59 A60 L61 C65 S66 E67R59-V63 WeakPolarHBondContact O-CG2 3.29Å; R59-V63 PolarHBondContact O-N 3.11Å; A60-V63 PolarHBondContact O-N 3.48Å; L61-V63 VanDerWaalsContact C-N 3.34Å; L61-V63 PolarHBondContact O-N 2.76Å; V63-C65 PolarHBondContact O-N 2.95Å; V63-S66 WeakPolarHBondContact O-CB 3.35Å; V63-S66 PolarHBondContact O-N 3.34Å; V63-E67 HydrophobicContact CG1-CG 4.4Å; V63-E67 WeakPolarHBondContact O-CG 3.35Å; V63-E67 PolarHBondContact O-N 3.05Å
64H98.1Very high97.4Very high29 Ų2953.7 Ų53.713%0.13426%0.261CS..Hα-helixtrans-56.3-47177.3175.562.4000112.4A60 L61 S66 E67 E68 Y92A60-H64 WeakPolarHBondContact O-CB 3.25Å; A60-H64 PolarHBondContact O-N 3.33Å; L61-H64 PolarHBondContact O-N 2.83Å; H64-S66 VanDerWaalsContact C-N 3.27Å; H64-S66 PolarHBondContact O-N 3.16Å; H64-E67 PolarHBondContact O-N 3.24Å; H64-E68 WeakPolarHBondContact O-CB 3.47Å; H64-E68 PolarHBondContact O-N 2.97Å; H64-Y92 HydrophobicContact CB-CE1 4.3Å; H64-Y92 AromaticContact CD2-CD1 3.44Å; H64-Y92 VanDerWaalsContact CD2-CD1 3.44Å; H64-Y92 WeakPolarHBondContact CD2-CD1 3.41Å; H64-Y92 AromaticContact CD2-CE1 3.91Å; H64-Y92 AromaticContact CD2-CG 3.6Å; H64-Y92 AromaticContact CE1-CD2 3.54Å; H64-Y92 AromaticContact CE1-CE2 3.93Å; H64-Y92 AromaticContact CE1-CG 3.67Å; H64-Y92 AromaticContact CG-CD1 3.89Å; H64-Y92 AromaticContact CG-CE1 3.86Å; H64-Y92 AromaticContact ND1-CE2 3.98Å; H64-Y92 VanDerWaalsContact NE2-CB 3.32Å; H64-Y92 WeakPolarHBondContact NE2-CB 3.28Å; H64-Y92 AromaticContact NE2-CD1 3.64Å; H64-Y92 AromaticContact NE2-CD2 3.62Å; H64-Y92 AromaticContact NE2-CG 3.24Å
65C98.5Very high97.5Very high0 Ų055.6 Ų55.60%027%0.271CS..Hα-helixtrans-62.4-34.8176.8-65.80000112.3V43 L61 L62 V63 A69 L85V43-C65 HydrophobicContact CG1-CB 3.89Å; V43-C65 VanDerWaalsContact CG1-O 3.3Å; V43-C65 WeakPolarHBondContact CG1-O 3.39Å; V43-C65 HydrophobicContact CG2-CB 3.71Å; L61-C65 WeakPolarHBondContact O-CB 3.5Å; L61-C65 PolarHBondContact O-N 2.82Å; L61-C65 PolarHBondContact O-SG 2.99Å; L62-C65 PolarHBondContact O-N 3.3Å; V63-C65 PolarHBondContact O-N 2.95Å; C65-A69 WeakPolarHBondContact O-CB 3.41Å; C65-A69 PolarHBondContact O-N 3.33Å; C65-L85 HydrophobicContact CB-CD1 4.2Å; C65-L85 HydrophobicContact CB-CD2 4.48Å
66S98.1Very high97.7Very high24 Ų2458.4 Ų58.417%0.16828%0.284CS..Hα-helixtrans-70.6-40.1178.3-540000111.7L62 V63 H64 Q70L62-S66 WeakPolarHBondContact O-CB 3.48Å; L62-S66 PolarHBondContact O-N 3.05Å; L62-S66 PolarHBondContact O-OG 3.2Å; V63-S66 WeakPolarHBondContact O-CB 3.35Å; V63-S66 PolarHBondContact O-N 3.34Å; H64-S66 VanDerWaalsContact C-N 3.27Å; H64-S66 PolarHBondContact O-N 3.16Å; S66-Q70 VanDerWaalsContact O-CG 3.24Å; S66-Q70 WeakPolarHBondContact O-CG 3.3Å; S66-Q70 PolarHBondContact O-N 3.08Å; S66-Q70 VanDerWaalsContact O-N 3.08Å
67E98.2Very high97.7Very high104 Ų10463.4 Ų63.449%0.48629%0.294SS..Hα-helixtrans-64.1-45.9174.2-70.2173163.300110.8V63 H64 A69 Q70 D71V63-E67 HydrophobicContact CG1-CG 4.4Å; V63-E67 WeakPolarHBondContact O-CG 3.35Å; V63-E67 PolarHBondContact O-N 3.05Å; H64-E67 PolarHBondContact O-N 3.24Å; E67-A69 PolarHBondContact O-N 3.45Å; E67-Q70 PolarHBondContact O-N 3.42Å; E67-D71 WeakPolarHBondContact O-CB 3.48Å; E67-D71 PolarHBondContact O-N 2.78Å
68E97.8Very high97.7Very high52 Ų5270.1 Ų70.124%0.24332%0.323CS..Hα-helixtrans-58.6-45.8177-169.268.3-162.800111.9H64 Q70 D71 Y72 I80 L85 H88H64-E68 WeakPolarHBondContact O-CB 3.47Å; H64-E68 PolarHBondContact O-N 2.97Å; E68-Q70 PolarHBondContact O-N 3.39Å; E68-D71 PolarHBondContact O-N 3.43Å; E68-Y72 WeakPolarHBondContact O-CB 3.25Å; E68-Y72 PolarHBondContact O-N 2.77Å; E68-I80 HydrophobicContact CG-CD1 4.45Å; E68-L85 HydrophobicContact CB-CD1 3.93Å; E68-L85 HydrophobicContact CG-CD1 3.92Å; E68-H88 HydrophobicContact CG-CB 4.23Å; E68-H88 IonicContact OE1-CE1 3.84Å; E68-H88 IonicContact OE1-CG 3.68Å; E68-H88 IonicContact OE1-ND1 3.3Å; E68-H88 PolarHBondContact OE1-ND1 3.18Å
69A98.1Very high97.6Very high2 Ų274.7 Ų74.72%0.01734%0.343CS..Hα-helixtrans-62.9-40.9177.100000112.3V43 D44 C65 E67 Y73 I80V43-A69 HydrophobicContact CG1-CB 4.06Å; D44-A69 HydrophobicContact CB-CB 4.35Å; C65-A69 WeakPolarHBondContact O-CB 3.41Å; C65-A69 PolarHBondContact O-N 3.33Å; E67-A69 PolarHBondContact O-N 3.45Å; A69-Y73 PolarHBondContact O-N 2.96Å; A69-Y73 VanDerWaalsContact O-N 3.1Å; A69-I80 HydrophobicContact CB-CG2 3.76Å
70Q97.8Very high97.7Very high115 Ų11569.5 Ų69.554%0.53732%0.323SS..Hα-helixtrans-66.7-41.4176.5-73.2174.219.500112.1S66 E67 E68 Y73 K74S66-Q70 VanDerWaalsContact O-CG 3.24Å; S66-Q70 WeakPolarHBondContact O-CG 3.3Å; S66-Q70 PolarHBondContact O-N 3.08Å; S66-Q70 VanDerWaalsContact O-N 3.08Å; E67-Q70 PolarHBondContact O-N 3.42Å; E68-Q70 PolarHBondContact O-N 3.39Å; Q70-Y73 PolarHBondContact O-N 3.09Å; Q70-K74 VanDerWaalsContact O-CG 3.32Å; Q70-K74 WeakPolarHBondContact O-CG 3.46Å; Q70-K74 PolarHBondContact O-N 3.46Å
71D97.9Very high97.6Very high66 Ų6669.9 Ų69.935%0.35332%0.322SS..Hα-helixtrans-68.6-39.5179.7-75.4-10.4000111.5E67 E68 Y73 K74 Q75E67-D71 WeakPolarHBondContact O-CB 3.48Å; E67-D71 PolarHBondContact O-N 2.78Å; E68-D71 PolarHBondContact O-N 3.43Å; D71-Y73 VanDerWaalsContact C-N 3.32Å; D71-Y73 PolarHBondContact O-N 2.81Å; D71-K74 WeakPolarHBondContact O-CB 3.09Å; D71-K74 PolarHBondContact O-N 3.2Å; D71-K74 VanDerWaalsContact O-N 3.16Å; D71-K74 IonicContact OD1-NZ 2.77Å; D71-K74 PolarHBondContact OD1-NZ 3.07Å; D71-Q75 WeakPolarHBondContact O-CG 3.44Å; D71-Q75 PolarHBondContact O-N 3.43Å
72Y98.1Very high97.6Very high32 Ų3269.8 Ų69.813%0.12532%0.321CS..Hα-helixtrans-56.4-46.2170-167.4-84.3000111.7E68 K74 Q75 F76 K78 I80 P81 E84E68-Y72 WeakPolarHBondContact O-CB 3.25Å; E68-Y72 PolarHBondContact O-N 2.77Å; Y72-K74 PolarHBondContact O-N 3.16Å; Y72-Q75 PolarHBondContact O-N 3.32Å; Y72-F76 HydrophobicContact CD1-CB 4.4Å; Y72-F76 AromaticContact CD1-CD2 3.95Å; Y72-F76 HydrophobicContact CD1-CD2 3.95Å; Y72-F76 AromaticContact CD2-CD2 3.62Å; Y72-F76 HydrophobicContact CD2-CD2 3.62Å; Y72-F76 AromaticContact CD2-CE2 3.79Å; Y72-F76 HydrophobicContact CD2-CE2 3.79Å; Y72-F76 HydrophobicContact CE1-CB 4.15Å; Y72-F76 AromaticContact CE1-CD2 3.94Å; Y72-F76 HydrophobicContact CE1-CD2 3.94Å; Y72-F76 HydrophobicContact CE1-CG 4.35Å; Y72-F76 AromaticContact CE2-CD2 3.61Å; Y72-F76 HydrophobicContact CE2-CD2 3.61Å; Y72-F76 AromaticContact CE2-CE2 3.76Å; Y72-F76 HydrophobicContact CE2-CE2 3.76Å; Y72-F76 AromaticContact CG-CD2 3.81Å; Y72-F76 HydrophobicContact CG-CD2 3.81Å; Y72-F76 HydrophobicContact CG-CE2 4.38Å; Y72-F76 AromaticContact CZ-CD2 3.81Å; Y72-F76 WeakPolarHBondContact O-CD2 3.16Å; Y72-F76 PolarHBondContact O-N 3Å; Y72-K78 WeakPolarHBondContact CD1-O 3.49Å; Y72-I80 HydrophobicContact CD1-CB 3.65Å; Y72-I80 HydrophobicContact CD1-CG1 4.08Å; Y72-I80 HydrophobicContact CD2-CB 4.22Å; Y72-I80 HydrophobicContact CD2-CD1 3.72Å; Y72-I80 HydrophobicContact CD2-CG1 3.76Å; Y72-I80 HydrophobicContact CE1-CB 4.16Å; Y72-I80 HydrophobicContact CE1-CG1 4.36Å; Y72-I80 HydrophobicContact CE2-CD1 4.37Å; Y72-I80 HydrophobicContact CE2-CG1 4.05Å; Y72-I80 HydrophobicContact CG-CB 3.67Å; Y72-I80 HydrophobicContact CG-CD1 3.88Å; Y72-I80 HydrophobicContact CG-CG1 3.75Å; Y72-P81 WeakPolarHBondContact OH-CD 3.24Å; Y72-E84 VanDerWaalsContact CE2-CD 3.42Å; Y72-E84 HydrophobicContact CE2-CG 4.36Å; Y72-E84 WeakPolarHBondContact CE2-OE1 3.39Å; Y72-E84 VanDerWaalsContact CE2-OE2 3.31Å; Y72-E84 WeakPolarHBondContact CE2-OE2 3.08Å; Y72-E84 PolarHBondContact OH-OE2 2.85Å
73Y97.4Very high97.6Very high118 Ų11874 Ų7446%0.46334%0.339SS..Hα-helixtrans-64.1-38.6176.8-175.2-98.6000112.6A69 Q70 D71 Q75 R77 K78A69-Y73 PolarHBondContact O-N 2.96Å; A69-Y73 VanDerWaalsContact O-N 3.1Å; Q70-Y73 PolarHBondContact O-N 3.09Å; D71-Y73 VanDerWaalsContact C-N 3.32Å; D71-Y73 PolarHBondContact O-N 2.81Å; Y73-Q75 VanDerWaalsContact C-N 3.34Å; Y73-Q75 PolarHBondContact O-N 3.49Å; Y73-R77 WeakPolarHBondContact O-CA 3.17Å; Y73-R77 PolarHBondContact O-N 2.67Å; Y73-K78 WeakPolarHBondContact CA-O 3.19Å
74K97.6Very high97.5Very high113 Ų11373.5 Ų73.549%0.49133%0.332SS..Hα-helixtrans-62.8-40.9176.1-71.1169-160.1156.90111.9Q70 D71 Y72 R77Q70-K74 VanDerWaalsContact O-CG 3.32Å; Q70-K74 WeakPolarHBondContact O-CG 3.46Å; Q70-K74 PolarHBondContact O-N 3.46Å; D71-K74 WeakPolarHBondContact O-CB 3.09Å; D71-K74 PolarHBondContact O-N 3.2Å; D71-K74 VanDerWaalsContact O-N 3.16Å; D71-K74 IonicContact OD1-NZ 2.77Å; D71-K74 PolarHBondContact OD1-NZ 3.07Å; Y72-K74 PolarHBondContact O-N 3.16Å; K74-R77 PolarHBondContact O-NE 2.79Å
75Q97.7Very high97.5Very high141 Ų14172.1 Ų72.166%0.65933%0.325SS*.Hα-helixtrans-78.3-50.3-176.6-68.4177.816.500112.5D71 Y72 Y73D71-Q75 WeakPolarHBondContact O-CG 3.44Å; D71-Q75 PolarHBondContact O-N 3.43Å; Y72-Q75 PolarHBondContact O-N 3.32Å; Y73-Q75 VanDerWaalsContact C-N 3.34Å; Y73-Q75 PolarHBondContact O-N 3.49Å
76F97.2Very high97.5Very high107 Ų10772.1 Ų72.147%0.46933%0.325SS..Hα-helixtrans-102.5-9-170.3-58.9-72.4000114.2Y72 K78Y72-F76 HydrophobicContact CD1-CB 4.4Å; Y72-F76 AromaticContact CD1-CD2 3.95Å; Y72-F76 HydrophobicContact CD1-CD2 3.95Å; Y72-F76 AromaticContact CD2-CD2 3.62Å; Y72-F76 HydrophobicContact CD2-CD2 3.62Å; Y72-F76 AromaticContact CD2-CE2 3.79Å; Y72-F76 HydrophobicContact CD2-CE2 3.79Å; Y72-F76 HydrophobicContact CE1-CB 4.15Å; Y72-F76 AromaticContact CE1-CD2 3.94Å; Y72-F76 HydrophobicContact CE1-CD2 3.94Å; Y72-F76 HydrophobicContact CE1-CG 4.35Å; Y72-F76 AromaticContact CE2-CD2 3.61Å; Y72-F76 HydrophobicContact CE2-CD2 3.61Å; Y72-F76 AromaticContact CE2-CE2 3.76Å; Y72-F76 HydrophobicContact CE2-CE2 3.76Å; Y72-F76 AromaticContact CG-CD2 3.81Å; Y72-F76 HydrophobicContact CG-CD2 3.81Å; Y72-F76 HydrophobicContact CG-CE2 4.38Å; Y72-F76 AromaticContact CZ-CD2 3.81Å; Y72-F76 WeakPolarHBondContact O-CD2 3.16Å; Y72-F76 PolarHBondContact O-N 3Å; F76-K78 PolarHBondContact O-N 3.49Å
77R96.8Very high97.5Very high174 Ų17475.4 Ų75.466%0.65734%0.338SS*.SBendtrans55.229.5-175.3-55.3-60.5-179.6-172.3-1.1113.4Y73 K74Y73-R77 WeakPolarHBondContact O-CA 3.17Å; Y73-R77 PolarHBondContact O-N 2.67Å; K74-R77 PolarHBondContact O-NE 2.79Å
78K96Very high97.5Very high150 Ų15073.6 Ų73.665%0.65233%0.33SS*.SBendtrans-134.1152.4178.5-69.3-178.2179.7-176.80109.5Y72 Y73 F76Y72-K78 WeakPolarHBondContact CD1-O 3.49Å; Y73-K78 WeakPolarHBondContact CA-O 3.19Å; F76-K78 PolarHBondContact O-N 3.49Å
79K95.9Very high97.5Very high97 Ų9771.1 Ų71.142%0.42232%0.318SS..PPolyproline II helixtrans-67.2136.5172.2-70.2-173.8172.6-166.40109E45E45-K79 IonicContact OE2-NZ 3.71Å; E45-K79 PolarHBondContact OE2-NZ 2.68Å
80I97.6Very high97.5Very high1 Ų171.3 Ų71.31%0.00532%0.32CS..PPolyproline II helixtrans-65.4132.1-178.9-170.1165.9000110.7H46 I47 E68 A69 Y72 E84 L85H46-I80 PolarHBondContact NE2-O 3.06Å; I47-I80 HydrophobicContact CD1-CG2 3.79Å; E68-I80 HydrophobicContact CG-CD1 4.45Å; A69-I80 HydrophobicContact CB-CG2 3.76Å; Y72-I80 HydrophobicContact CD1-CB 3.65Å; Y72-I80 HydrophobicContact CD1-CG1 4.08Å; Y72-I80 HydrophobicContact CD2-CB 4.22Å; Y72-I80 HydrophobicContact CD2-CD1 3.72Å; Y72-I80 HydrophobicContact CD2-CG1 3.76Å; Y72-I80 HydrophobicContact CE1-CB 4.16Å; Y72-I80 HydrophobicContact CE1-CG1 4.36Å; Y72-I80 HydrophobicContact CE2-CD1 4.37Å; Y72-I80 HydrophobicContact CE2-CG1 4.05Å; Y72-I80 HydrophobicContact CG-CB 3.67Å; Y72-I80 HydrophobicContact CG-CD1 3.88Å; Y72-I80 HydrophobicContact CG-CG1 3.75Å; I80-E84 HydrophobicContact CG1-CB 4.32Å; I80-L85 HydrophobicContact CD1-CB 3.79Å; I80-L85 HydrophobicContact CD1-CD1 4.13Å; I80-L85 HydrophobicContact CG1-CB 4.13Å; I80-L85 HydrophobicContact CG2-CB 4.29Å
81P97.1Very high97.5Very high55 Ų5572.1 Ų72.136%0.35733%0.325SS..PPolyproline II helixtrans-61.8137.7169.1-22.734.1000111Y72 K83 E84 L85Y72-P81 WeakPolarHBondContact OH-CD 3.24Å; P81-K83 PolarHBondContact O-N 2.86Å; P81-E84 HydrophobicContact CB-CB 4.25Å; P81-E84 WeakPolarHBondContact CD-OE2 3.41Å; P81-E84 PolarHBondContact O-N 2.86Å; P81-L85 PolarHBondContact O-N 2.78Å; P81-L85 VanDerWaalsContact O-N 3.1Å
82C97.6Very high97.5Very high1 Ų172.8 Ų72.81%0.00732%0.323CS..Hα-helixtrans-61.4-33.8-176.5-176.10000112.9I47 A86 S113I47-C82 HydrophobicContact CD1-CB 4.35Å; C82-A86 VanDerWaalsContact O-CB 3.32Å; C82-A86 WeakPolarHBondContact O-CB 3.4Å; C82-A86 PolarHBondContact O-N 3.39Å; C82-S113 WeakPolarHBondContact CB-OG 3.42Å
83K97.3Very high97.5Very high103 Ų10371.4 Ų71.445%0.44832%0.318SS..Hα-helixtrans-59.9-46.1174-176.4-178.2171.6-170.40112.1P81 A86 E87 Y123P81-K83 PolarHBondContact O-N 2.86Å; K83-A86 PolarHBondContact O-N 2.69Å; K83-E87 WeakPolarHBondContact CE-OE1 3.49Å; K83-E87 IonicContact NZ-OE1 3.59Å; K83-E87 WeakPolarHBondContact O-CG 3.49Å; K83-E87 PolarHBondContact O-N 3.46Å; K83-Y123 HydrophobicContact CB-CE2 3.88Å; K83-Y123 WeakPolarHBondContact CB-OH 3.47Å; K83-Y123 HydrophobicContact CG-CE1 4.18Å; K83-Y123 HydrophobicContact CG-CE2 4.43Å; K83-Y123 WeakPolarHBondContact CG-OH 3.31Å
84E97.3Very high97.5Very high59 Ų5969 Ų6928%0.27631%0.311SS..Hα-helixtrans-66.8-45.2-177.6-169.9165.1-170.300110.6Y72 I80 P81 A86 E87 H88Y72-E84 VanDerWaalsContact CE2-CD 3.42Å; Y72-E84 HydrophobicContact CE2-CG 4.36Å; Y72-E84 WeakPolarHBondContact CE2-OE1 3.39Å; Y72-E84 VanDerWaalsContact CE2-OE2 3.31Å; Y72-E84 WeakPolarHBondContact CE2-OE2 3.08Å; Y72-E84 PolarHBondContact OH-OE2 2.85Å; I80-E84 HydrophobicContact CG1-CB 4.32Å; P81-E84 HydrophobicContact CB-CB 4.25Å; P81-E84 WeakPolarHBondContact CD-OE2 3.41Å; P81-E84 PolarHBondContact O-N 2.86Å; E84-A86 VanDerWaalsContact C-N 3.29Å; E84-A86 PolarHBondContact O-N 2.87Å; E84-E87 PolarHBondContact O-N 3.29Å; E84-H88 PolarHBondContact O-CD2 2.75Å; E84-H88 VanDerWaalsContact O-CD2 3.23Å; E84-H88 PolarHBondContact O-N 3.21Å
85L98.4Very high97.5Very high0 Ų064.7 Ų64.70%030%0.298CS..Hα-helixtrans-57.7-42172.5-179.766.5000112.1V43 I47 C65 E68 I80 P81 H88 A89 L111V43-L85 HydrophobicContact CG1-CD2 3.8Å; I47-L85 HydrophobicContact CD1-CD2 3.62Å; I47-L85 HydrophobicContact CG2-CD2 4Å; C65-L85 HydrophobicContact CB-CD1 4.2Å; C65-L85 HydrophobicContact CB-CD2 4.48Å; E68-L85 HydrophobicContact CB-CD1 3.93Å; E68-L85 HydrophobicContact CG-CD1 3.92Å; I80-L85 HydrophobicContact CD1-CB 3.79Å; I80-L85 HydrophobicContact CD1-CD1 4.13Å; I80-L85 HydrophobicContact CG1-CB 4.13Å; I80-L85 HydrophobicContact CG2-CB 4.29Å; P81-L85 PolarHBondContact O-N 2.78Å; P81-L85 VanDerWaalsContact O-N 3.1Å; L85-H88 PolarHBondContact O-N 3.14Å; L85-A89 WeakPolarHBondContact O-CB 3.41Å; L85-A89 PolarHBondContact O-N 2.93Å; L85-L111 HydrophobicContact CD2-CD1 3.94Å; L85-L111 HydrophobicContact CD2-CD2 4.29Å; L85-L111 HydrophobicContact CG-CD1 3.93Å
86A98.4Very high97.4Very high0 Ų061 Ų610%028%0.279CS..Hα-helixtrans-65.2-41.9-18000000112.1C82 K83 E84 A90 L111 Y123 I125C82-A86 VanDerWaalsContact O-CB 3.32Å; C82-A86 WeakPolarHBondContact O-CB 3.4Å; C82-A86 PolarHBondContact O-N 3.39Å; K83-A86 PolarHBondContact O-N 2.69Å; E84-A86 VanDerWaalsContact C-N 3.29Å; E84-A86 PolarHBondContact O-N 2.87Å; A86-A90 WeakPolarHBondContact O-CB 3.36Å; A86-A90 PolarHBondContact O-N 3.4Å; A86-L111 HydrophobicContact CB-CD1 3.97Å; A86-Y123 HydrophobicContact CB-CD1 4.32Å; A86-Y123 HydrophobicContact CB-CD2 4.35Å; A86-Y123 HydrophobicContact CB-CG 3.86Å; A86-I125 HydrophobicContact CB-CD1 4.46Å; A86-I125 WeakPolarHBondContact O-CD1 3.43Å
87E98Very high97.4Very high93 Ų9358.6 Ų58.644%0.43527%0.273SS..Hα-helixtrans-64.7-41.8175.8-72.3173178.500111.7K83 E84 A90 M91K83-E87 WeakPolarHBondContact CE-OE1 3.49Å; K83-E87 IonicContact NZ-OE1 3.59Å; K83-E87 WeakPolarHBondContact O-CG 3.49Å; K83-E87 PolarHBondContact O-N 3.46Å; E84-E87 PolarHBondContact O-N 3.29Å; E87-A90 WeakPolarHBondContact O-CB 3.45Å; E87-A90 PolarHBondContact O-N 3.14Å; E87-M91 WeakPolarHBondContact O-CG 3.25Å; E87-M91 PolarHBondContact O-N 3.5Å
88H98Very high97.3Very high66 Ų6655.3 Ų55.331%0.30627%0.268SS..Hα-helixtrans-65.2-47.7177.6-68.9-164.7000111.7E68 E84 L85 A90 M91 Y92E68-H88 HydrophobicContact CG-CB 4.23Å; E68-H88 IonicContact OE1-CE1 3.84Å; E68-H88 IonicContact OE1-CG 3.68Å; E68-H88 IonicContact OE1-ND1 3.3Å; E68-H88 PolarHBondContact OE1-ND1 3.18Å; E84-H88 PolarHBondContact O-CD2 2.75Å; E84-H88 VanDerWaalsContact O-CD2 3.23Å; E84-H88 PolarHBondContact O-N 3.21Å; L85-H88 PolarHBondContact O-N 3.14Å; H88-A90 VanDerWaalsContact C-N 3.27Å; H88-A90 PolarHBondContact O-N 3.14Å; H88-M91 PolarHBondContact O-N 3.48Å; H88-Y92 PolarHBondContact O-N 2.95Å
89A98.2Very high97Very high1 Ų155.1 Ų55.11%0.00826%0.264CS..Hα-helixtrans-61.4-36.6176.400000112L85 Y92 V93 I125L85-A89 WeakPolarHBondContact O-CB 3.41Å; L85-A89 PolarHBondContact O-N 2.93Å; A89-Y92 PolarHBondContact O-N 3.46Å; A89-V93 VanDerWaalsContact O-CG2 3.31Å; A89-V93 WeakPolarHBondContact O-CG2 3.24Å; A89-V93 PolarHBondContact O-N 3.3Å; A89-I125 HydrophobicContact CB-CD1 3.69Å
90A98.3Very high96.7Very high6 Ų654.7 Ų54.75%0.0529%0.288CS..Hα-helixtrans-65.4-43.7176.200000112.5A86 E87 H88 Y92 V93 H94 I125 G129 C131A86-A90 WeakPolarHBondContact O-CB 3.36Å; A86-A90 PolarHBondContact O-N 3.4Å; E87-A90 WeakPolarHBondContact O-CB 3.45Å; E87-A90 PolarHBondContact O-N 3.14Å; H88-A90 VanDerWaalsContact C-N 3.27Å; H88-A90 PolarHBondContact O-N 3.14Å; A90-Y92 VanDerWaalsContact C-N 3.33Å; A90-Y92 PolarHBondContact O-N 3.16Å; A90-V93 PolarHBondContact O-N 2.85Å; A90-H94 WeakPolarHBondContact O-CB 3.49Å; A90-H94 PolarHBondContact O-N 3.18Å; A90-I125 HydrophobicContact CB-CD1 4.46Å; A90-I125 HydrophobicContact CB-CG1 4.25Å; A90-I125 HydrophobicContact CB-CG2 4.09Å; A90-G129 WeakPolarHBondContact CB-O 3.32Å; A90-C131 HydrophobicContact CB-CB 3.57Å
91M97.8Very high96.6Very high131 Ų13159 Ų5965%0.64532%0.323SS*.Hα-helixtrans-63.2-39.6174.5-73.1-56.1-57.400112.1E87 H88 H94 G95E87-M91 WeakPolarHBondContact O-CG 3.25Å; E87-M91 PolarHBondContact O-N 3.5Å; H88-M91 PolarHBondContact O-N 3.48Å; M91-H94 PolarHBondContact O-N 2.84Å; M91-G95 PolarHBondContact O-N 2.91Å
92Y97.6Very high96.4Very high81 Ų8161.5 Ų61.532%0.31833%0.329SS..Hα-helixtrans-61.3-48.3173.7-178.8-101.8000111.9L61 H64 H88 A89 A90 H94 G95 Y96 F105L61-Y92 HydrophobicContact CD2-CD1 3.87Å; L61-Y92 HydrophobicContact CD2-CE1 3.99Å; H64-Y92 HydrophobicContact CB-CE1 4.3Å; H64-Y92 AromaticContact CD2-CD1 3.44Å; H64-Y92 VanDerWaalsContact CD2-CD1 3.44Å; H64-Y92 WeakPolarHBondContact CD2-CD1 3.41Å; H64-Y92 AromaticContact CD2-CE1 3.91Å; H64-Y92 AromaticContact CD2-CG 3.6Å; H64-Y92 AromaticContact CE1-CD2 3.54Å; H64-Y92 AromaticContact CE1-CE2 3.93Å; H64-Y92 AromaticContact CE1-CG 3.67Å; H64-Y92 AromaticContact CG-CD1 3.89Å; H64-Y92 AromaticContact CG-CE1 3.86Å; H64-Y92 AromaticContact ND1-CE2 3.98Å; H64-Y92 VanDerWaalsContact NE2-CB 3.32Å; H64-Y92 WeakPolarHBondContact NE2-CB 3.28Å; H64-Y92 AromaticContact NE2-CD1 3.64Å; H64-Y92 AromaticContact NE2-CD2 3.62Å; H64-Y92 AromaticContact NE2-CG 3.24Å; H88-Y92 PolarHBondContact O-N 2.95Å; A89-Y92 PolarHBondContact O-N 3.46Å; A90-Y92 VanDerWaalsContact C-N 3.33Å; A90-Y92 PolarHBondContact O-N 3.16Å; Y92-H94 VanDerWaalsContact C-N 3.33Å; Y92-H94 PolarHBondContact O-N 2.94Å; Y92-G95 PolarHBondContact O-N 3.49Å; Y92-Y96 AromaticContact CE1-CE2 3.96Å; Y92-Y96 HydrophobicContact CE1-CE2 3.96Å; Y92-Y96 AromaticContact CE2-CE2 3.98Å; Y92-Y96 HydrophobicContact CE2-CE2 3.98Å; Y92-Y96 AromaticContact CZ-CE2 3.65Å; Y92-Y96 WeakPolarHBondContact O-CD2 3.32Å; Y92-Y96 PolarHBondContact OH-OH 2.92Å; Y92-F105 HydrophobicContact CD1-CE2 4.18Å; Y92-F105 HydrophobicContact CD1-CZ 4.34Å; Y92-F105 AromaticContact CE1-CE2 3.9Å; Y92-F105 HydrophobicContact CE1-CE2 3.9Å; Y92-F105 AromaticContact CE1-CZ 3.65Å; Y92-F105 HydrophobicContact CE1-CZ 3.65Å
93V97.7Very high96.3Very high2 Ų268.1 Ų68.11%0.01235%0.354CS..Hα-helixtrans-60.5-43.1175.6171.20000111.1L61 A89 A90 G95 Y96 F105 I125L61-V93 HydrophobicContact CD1-CG2 3.87Å; L61-V93 HydrophobicContact CD2-CG2 3.67Å; L61-V93 HydrophobicContact CG-CG2 4.46Å; A89-V93 VanDerWaalsContact O-CG2 3.31Å; A89-V93 WeakPolarHBondContact O-CG2 3.24Å; A89-V93 PolarHBondContact O-N 3.3Å; A90-V93 PolarHBondContact O-N 2.85Å; V93-G95 VanDerWaalsContact C-N 3.3Å; V93-G95 PolarHBondContact O-N 3.02Å; V93-Y96 PolarHBondContact O-N 3.05Å; V93-F105 HydrophobicContact CB-CD2 4.32Å; V93-F105 HydrophobicContact CG1-CD2 4.2Å; V93-F105 HydrophobicContact CG2-CD2 4.05Å; V93-F105 HydrophobicContact CG2-CE2 4.46Å; V93-I125 HydrophobicContact CB-CG2 4.44Å; V93-I125 HydrophobicContact CG2-CG2 4.3Å
94H97.3Very high96.2Very high68 Ų6866.4 Ų66.432%0.31535%0.353SS..Hα-helixtrans-59.8-39.4178.3-175.859.3000111.9A90 M91 Y92 Y96 T97 S128A90-H94 WeakPolarHBondContact O-CB 3.49Å; A90-H94 PolarHBondContact O-N 3.18Å; M91-H94 PolarHBondContact O-N 2.84Å; Y92-H94 VanDerWaalsContact C-N 3.33Å; Y92-H94 PolarHBondContact O-N 2.94Å; H94-Y96 PolarHBondContact O-N 2.79Å; H94-Y96 VanDerWaalsContact O-N 3.16Å; H94-T97 PolarHBondContact ND1-OG1 3.19Å; H94-T97 WeakPolarHBondContact O-CB 3.33Å; H94-T97 PolarHBondContact O-N 2.87Å; H94-T97 PolarHBondContact O-OG1 3.03Å; H94-S128 PolarHBondContact ND1-O 3.34Å
95G96.8Very high96.2Very high22 Ų2264.3 Ų64.323%0.22734%0.343CS..Hα-helixtrans-55-33.8177.400000114.1M91 Y92 V93 T97 L98 Y99M91-G95 PolarHBondContact O-N 2.91Å; Y92-G95 PolarHBondContact O-N 3.49Å; V93-G95 VanDerWaalsContact C-N 3.3Å; V93-G95 PolarHBondContact O-N 3.02Å; G95-T97 PolarHBondContact O-N 3.03Å; G95-L98 PolarHBondContact O-N 2.79Å; G95-Y99 VanDerWaalsContact O-CD2 3.31Å; G95-Y99 WeakPolarHBondContact O-CD2 3.45Å
96Y96.7Very high96.1Very high64 Ų6465 Ų6525%0.25135%0.35SS..Hα-helixtrans-74.7-4177.1-80-108.7000113.7Y92 V93 H94 F102 F105Y92-Y96 AromaticContact CE1-CE2 3.96Å; Y92-Y96 HydrophobicContact CE1-CE2 3.96Å; Y92-Y96 AromaticContact CE2-CE2 3.98Å; Y92-Y96 HydrophobicContact CE2-CE2 3.98Å; Y92-Y96 AromaticContact CZ-CE2 3.65Å; Y92-Y96 WeakPolarHBondContact O-CD2 3.32Å; Y92-Y96 PolarHBondContact OH-OH 2.92Å; V93-Y96 PolarHBondContact O-N 3.05Å; H94-Y96 PolarHBondContact O-N 2.79Å; H94-Y96 VanDerWaalsContact O-N 3.16Å; Y96-F102 HydrophobicContact CD1-CB 3.76Å; Y96-F102 HydrophobicContact CD1-CD1 4.49Å; Y96-F102 HydrophobicContact CD1-CG 4.11Å; Y96-F102 HydrophobicContact CE1-CB 4.31Å; Y96-F102 HydrophobicContact CE1-CD1 4.19Å; Y96-F102 HydrophobicContact CE1-CG 4.22Å; Y96-F102 HydrophobicContact CG-CB 4.38Å; Y96-F105 HydrophobicContact CD1-CD2 4.48Å; Y96-F105 AromaticContact CD1-CE2 3.9Å; Y96-F105 HydrophobicContact CD1-CE2 3.9Å; Y96-F105 HydrophobicContact CD1-CZ 4.25Å; Y96-F105 HydrophobicContact CD2-CD2 4.3Å; Y96-F105 AromaticContact CD2-CE2 3.43Å; Y96-F105 HydrophobicContact CD2-CE2 3.43Å; Y96-F105 VanDerWaalsContact CD2-CE2 3.43Å; Y96-F105 HydrophobicContact CD2-CZ 4.13Å; Y96-F105 HydrophobicContact CE1-CE2 4.23Å; Y96-F105 HydrophobicContact CE1-CZ 4.16Å; Y96-F105 AromaticContact CE2-CE2 3.77Å; Y96-F105 HydrophobicContact CE2-CE2 3.77Å; Y96-F105 HydrophobicContact CE2-CZ 4.02Å; Y96-F105 HydrophobicContact CG-CD2 4.03Å; Y96-F105 AromaticContact CG-CE2 3.5Å; Y96-F105 HydrophobicContact CG-CE2 3.5Å; Y96-F105 VanDerWaalsContact CG-CE2 3.5Å; Y96-F105 HydrophobicContact CG-CZ 4.24Å
97T96.4Very high96.1Very high57 Ų5765.1 Ų65.135%0.3535%0.351SS..Hα-helixtrans-96.2-14.7176.475.10000113.2H94 G95 P104H94-T97 PolarHBondContact ND1-OG1 3.19Å; H94-T97 WeakPolarHBondContact O-CB 3.33Å; H94-T97 PolarHBondContact O-N 2.87Å; H94-T97 PolarHBondContact O-OG1 3.03Å; G95-T97 PolarHBondContact O-N 3.03Å; T97-P104 HydrophobicContact CG2-CB 4.37Å; T97-P104 HydrophobicContact CG2-CG 4.48Å
98L94.8Very high96.1Very high105 Ų10561.1 Ų61.155%0.5533%0.332SS..Hα-helixtrans-95.2-39.2-171.1-62177.3000113.2G95G95-L98 PolarHBondContact O-N 2.79Å
99Y90.9Very high96.1Very high145 Ų14558 Ų5857%0.56932%0.318SS*.  trans-97.1123.6-173.8-53-71.7000111.1G95 A101 F102G95-Y99 VanDerWaalsContact O-CD2 3.31Å; G95-Y99 WeakPolarHBondContact O-CD2 3.45Å; Y99-A101 PolarHBondContact O-N 3.32Å; Y99-F102 HydrophobicContact CD2-CD2 4.15Å; Y99-F102 HydrophobicContact CD2-CE2 4.26Å; Y99-F102 HydrophobicContact CG-CD2 4.44Å; Y99-F102 PolarHBondContact O-N 3.07Å
100G89Confident96.1Very high89 Ų8958 Ų5892%0.91832%0.317SS*.THydrogen-bonded Turntrans-62.6-11.2178.500000115.3F102G100-F102 VanDerWaalsContact C-N 3.29Å
101A94.7Very high96.2Very high91 Ų9157.7 Ų57.775%0.75232%0.315SS*.THydrogen-bonded Turntrans-74.2-19.9172.700000113.1Y99Y99-A101 PolarHBondContact O-N 3.32Å
102F93.9Very high96.2Very high107 Ų10751.5 Ų51.547%0.46929%0.285SS..SBendtrans-112.2150.3-179.1-57.4-57.1000110.8Y96 Y99 G100Y96-F102 HydrophobicContact CD1-CB 3.76Å; Y96-F102 HydrophobicContact CD1-CD1 4.49Å; Y96-F102 HydrophobicContact CD1-CG 4.11Å; Y96-F102 HydrophobicContact CE1-CB 4.31Å; Y96-F102 HydrophobicContact CE1-CD1 4.19Å; Y96-F102 HydrophobicContact CE1-CG 4.22Å; Y96-F102 HydrophobicContact CG-CB 4.38Å; Y99-F102 HydrophobicContact CD2-CD2 4.15Å; Y99-F102 HydrophobicContact CD2-CE2 4.26Å; Y99-F102 HydrophobicContact CG-CD2 4.44Å; Y99-F102 PolarHBondContact O-N 3.07Å; G100-F102 VanDerWaalsContact C-N 3.29Å
103R94.6Very high96.2Very high141 Ų14147.7 Ų47.753%0.53227%0.27SS..PPolyproline II helixtrans-93.2142.716561.5170.3-173.275.80.2109.1D57D57-R103 IonicContact OD1-CZ 3.37Å; D57-R103 IonicContact OD1-NH1 3.87Å; D57-R103 PolarHBondContact OD1-NH1 2.82Å; D57-R103 IonicContact OD1-NH2 3.89Å; D57-R103 PolarHBondContact OD1-NH2 3.02Å; D57-R103 IonicContact OD2-CZ 3.62Å; D57-R103 IonicContact OD2-NH1 3.03Å; D57-R103 PolarHBondContact OD2-NH1 2.72Å; D57-R103 IonicContact OD2-NH2 3.6Å
104P96.4Very high96.3Very high67 Ų6748.6 Ų48.644%0.43527%0.273SS..PPolyproline II helixtrans-56.8154.2170.4-26.534.9000112.6T97 G106T97-P104 HydrophobicContact CG2-CB 4.37Å; T97-P104 HydrophobicContact CG2-CG 4.48Å; P104-G106 PolarHBondContact O-N 2.78Å
105F97.2Very high96.2Very high14 Ų1447.7 Ų47.76%0.06127%0.271CS..PPolyproline II helixtrans-64.5132.9173.4-74.8-82.6000111.1D57 A60 L61 Y92 V93 Y96 C107 P127D57-F105 HydrophobicContact CB-CD1 3.92Å; A60-F105 HydrophobicContact CB-CE1 4.4Å; L61-F105 HydrophobicContact CD1-CD1 4.15Å; L61-F105 HydrophobicContact CD1-CG 4.24Å; L61-F105 HydrophobicContact CD2-CD1 4.14Å; L61-F105 HydrophobicContact CD2-CD2 4.29Å; L61-F105 HydrophobicContact CD2-CE1 3.86Å; L61-F105 HydrophobicContact CD2-CE2 3.99Å; L61-F105 HydrophobicContact CD2-CG 4.37Å; L61-F105 HydrophobicContact CD2-CZ 3.79Å; L61-F105 HydrophobicContact CG-CD1 3.95Å; L61-F105 HydrophobicContact CG-CE1 3.95Å; L61-F105 HydrophobicContact CG-CG 4.4Å; L61-F105 HydrophobicContact CG-CZ 4.4Å; Y92-F105 HydrophobicContact CD1-CE2 4.18Å; Y92-F105 HydrophobicContact CD1-CZ 4.34Å; Y92-F105 AromaticContact CE1-CE2 3.9Å; Y92-F105 HydrophobicContact CE1-CE2 3.9Å; Y92-F105 AromaticContact CE1-CZ 3.65Å; Y92-F105 HydrophobicContact CE1-CZ 3.65Å; V93-F105 HydrophobicContact CB-CD2 4.32Å; V93-F105 HydrophobicContact CG1-CD2 4.2Å; V93-F105 HydrophobicContact CG2-CD2 4.05Å; V93-F105 HydrophobicContact CG2-CE2 4.46Å; Y96-F105 HydrophobicContact CD1-CD2 4.48Å; Y96-F105 AromaticContact CD1-CE2 3.9Å; Y96-F105 HydrophobicContact CD1-CE2 3.9Å; Y96-F105 HydrophobicContact CD1-CZ 4.25Å; Y96-F105 HydrophobicContact CD2-CD2 4.3Å; Y96-F105 AromaticContact CD2-CE2 3.43Å; Y96-F105 HydrophobicContact CD2-CE2 3.43Å; Y96-F105 VanDerWaalsContact CD2-CE2 3.43Å; Y96-F105 HydrophobicContact CD2-CZ 4.13Å; Y96-F105 HydrophobicContact CE1-CE2 4.23Å; Y96-F105 HydrophobicContact CE1-CZ 4.16Å; Y96-F105 AromaticContact CE2-CE2 3.77Å; Y96-F105 HydrophobicContact CE2-CE2 3.77Å; Y96-F105 HydrophobicContact CE2-CZ 4.02Å; Y96-F105 HydrophobicContact CG-CD2 4.03Å; Y96-F105 AromaticContact CG-CE2 3.5Å; Y96-F105 HydrophobicContact CG-CE2 3.5Å; Y96-F105 VanDerWaalsContact CG-CE2 3.5Å; Y96-F105 HydrophobicContact CG-CZ 4.24Å; F105-C107 VanDerWaalsContact C-N 3.25Å; F105-C107 PolarHBondContact O-N 3.49Å; F105-P127 WeakPolarHBondContact O-CB 3.04Å
106G96.6Very high96.1Very high15 Ų1555 Ų5516%0.15530%0.296CS..SBendtrans-8725.6179.900000114.2G53 F54 D57 P104G53-G106 WeakPolarHBondContact CA-O 3.49Å; F54-G106 PolarHBondContact N-O 3.16Å; D57-G106 PolarHBondContact OD2-N 2.88Å; P104-G106 PolarHBondContact O-N 2.78Å
107C97.4Very high96Very high2 Ų260.8 Ų60.81%0.01433%0.326CS..EExtended strand (participates in β ladder)trans-140.6155.2-172.259.60000113.5S52 D57 C58 L61 F105 P127S52-C107 CarbonylContact O-C 3.53Å; S52-C107 VanDerWaalsContact O-CA 3.25Å; S52-C107 WeakPolarHBondContact O-CA 3.13Å; S52-C107 WeakPolarHBondContact O-CB 3.45Å; D57-C107 HydrophobicContact CB-CB 4.42Å; C58-C107 WeakPolarHBondContact SG-CB 3.49Å; L61-C107 WeakPolarHBondContact CD1-SG 3.47Å; F105-C107 VanDerWaalsContact C-N 3.25Å; F105-C107 PolarHBondContact O-N 3.49Å; C107-P127 WeakPolarHBondContact O-CG 3.3Å
108F98Very high95.9Very high9 Ų962.2 Ų62.24%0.03933%0.331CS..EExtended strand (participates in β ladder)trans-109.6132.6167.7-163.6-63.3000107.4V4 C51 S52 F110 I125 D126 V139V4-F108 HydrophobicContact CG1-CB 3.81Å; V4-F108 HydrophobicContact CG2-CB 4.08Å; C51-F108 CarbonylContact C-O 3.54Å; C51-F108 VanDerWaalsContact CA-O 3.29Å; C51-F108 WeakPolarHBondContact CA-O 3.2Å; S52-F108 PolarHBondContact N-O 2.84Å; S52-F108 PolarHBondContact O-N 3.33Å; F108-F110 HydrophobicContact CD1-CD2 4.1Å; F108-F110 HydrophobicContact CD1-CE1 4.16Å; F108-F110 AromaticContact CD1-CE2 3.53Å; F108-F110 HydrophobicContact CD1-CE2 3.53Å; F108-F110 AromaticContact CD1-CZ 3.54Å; F108-F110 HydrophobicContact CD1-CZ 3.54Å; F108-F110 HydrophobicContact CE1-CD1 4.04Å; F108-F110 HydrophobicContact CE1-CD2 4.26Å; F108-F110 AromaticContact CE1-CE1 3.4Å; F108-F110 HydrophobicContact CE1-CE1 3.4Å; F108-F110 AromaticContact CE1-CE2 3.65Å; F108-F110 HydrophobicContact CE1-CE2 3.65Å; F108-F110 HydrophobicContact CE1-CG 4.42Å; F108-F110 AromaticContact CE1-CZ 3.15Å; F108-F110 HydrophobicContact CE1-CZ 3.15Å; F108-F110 HydrophobicContact CZ-CE1 4.15Å; F108-F110 AromaticContact CZ-CZ 3.95Å; F108-F110 HydrophobicContact CZ-CZ 3.95Å; F108-I125 WeakPolarHBondContact CA-O 3.21Å; F108-I125 WeakPolarHBondContact CD1-O 3.46Å; F108-I125 WeakPolarHBondContact CG-O 3.4Å; F108-D126 HydrophobicContact CD2-CB 3.69Å; F108-D126 HydrophobicContact CE2-CB 3.46Å; F108-D126 VanDerWaalsContact CE2-CB 3.46Å; F108-D126 HydrophobicContact CZ-CB 4.29Å; F108-V139 HydrophobicContact CB-CG1 4.22Å; F108-V139 HydrophobicContact CD1-CG1 3.98Å; F108-V139 HydrophobicContact CD2-CG1 4.04Å; F108-V139 HydrophobicContact CE1-CG1 4.43Å; F108-V139 HydrophobicContact CE2-CG1 4.44Å; F108-V139 HydrophobicContact CG-CG1 3.81Å
109I98.2Very high96Very high1 Ų158.1 Ų58.11%0.00531%0.314CS..EExtended strand (participates in β ladder)trans-118.4152.1178.765.7168.2000111F49 T50 C51 L61 G124 I125F49-I109 HydrophobicContact CE1-CG2 4.45Å; F49-I109 HydrophobicContact CE2-CB 3.88Å; F49-I109 HydrophobicContact CE2-CD1 3.88Å; F49-I109 HydrophobicContact CE2-CG1 4.48Å; F49-I109 HydrophobicContact CE2-CG2 3.85Å; F49-I109 HydrophobicContact CZ-CB 3.99Å; F49-I109 HydrophobicContact CZ-CG2 3.52Å; T50-I109 CarbonylContact O-C 3.53Å; T50-I109 WeakPolarHBondContact O-CA 3.23Å; C51-I109 HydrophobicContact CB-CG2 4.02Å; L61-I109 HydrophobicContact CB-CD1 4.35Å; L61-I109 HydrophobicContact CB-CG2 4.39Å; L61-I109 HydrophobicContact CD1-CD1 4.14Å; L61-I109 HydrophobicContact CD1-CG2 3.83Å; I109-G124 WeakPolarHBondContact O-CA 3.41Å; I109-I125 HydrophobicContact CD1-CB 4.4Å; I109-I125 HydrophobicContact CD1-CD1 3.79Å; I109-I125 HydrophobicContact CG1-CB 3.81Å; I109-I125 HydrophobicContact CG1-CD1 4.02Å; I109-I125 HydrophobicContact CG1-CG1 4.41Å; I109-I125 PolarHBondContact N-O 2.83Å; I109-I125 VanDerWaalsContact N-O 3.07Å; I109-I125 PolarHBondContact O-N 3.37Å
110F98.7Very high96.3Very high0 Ų051.6 Ų51.60%029%0.289CS..EExtended strand (participates in β ladder)trans-124.1142.3169.9-65-83.9000110.2V12 F21 F49 T50 F108 L122 Y123 Y134 W137 V139V12-F110 HydrophobicContact CB-CG 4.49Å; V12-F110 HydrophobicContact CG1-CB 4.16Å; V12-F110 HydrophobicContact CG1-CD1 4.29Å; V12-F110 HydrophobicContact CG1-CD2 3.77Å; V12-F110 HydrophobicContact CG1-CE2 4.24Å; V12-F110 HydrophobicContact CG1-CG 3.8Å; V12-F110 HydrophobicContact CG2-CD1 3.73Å; V12-F110 HydrophobicContact CG2-CD2 4.36Å; V12-F110 HydrophobicContact CG2-CE1 3.65Å; V12-F110 HydrophobicContact CG2-CE2 4.3Å; V12-F110 HydrophobicContact CG2-CG 4.09Å; V12-F110 HydrophobicContact CG2-CZ 3.97Å; F21-F110 HydrophobicContact CE1-CB 4.02Å; F21-F110 HydrophobicContact CZ-CB 3.96Å; F49-F110 WeakPolarHBondContact CA-O 3.25Å; T50-F110 HydrophobicContact CG2-CB 3.76Å; T50-F110 HydrophobicContact CG2-CD2 4.01Å; T50-F110 HydrophobicContact CG2-CG 4.31Å; T50-F110 PolarHBondContact N-O 2.87Å; T50-F110 PolarHBondContact O-N 3.3Å; F108-F110 HydrophobicContact CD1-CD2 4.1Å; F108-F110 HydrophobicContact CD1-CE1 4.16Å; F108-F110 AromaticContact CD1-CE2 3.53Å; F108-F110 HydrophobicContact CD1-CE2 3.53Å; F108-F110 AromaticContact CD1-CZ 3.54Å; F108-F110 HydrophobicContact CD1-CZ 3.54Å; F108-F110 HydrophobicContact CE1-CD1 4.04Å; F108-F110 HydrophobicContact CE1-CD2 4.26Å; F108-F110 AromaticContact CE1-CE1 3.4Å; F108-F110 HydrophobicContact CE1-CE1 3.4Å; F108-F110 AromaticContact CE1-CE2 3.65Å; F108-F110 HydrophobicContact CE1-CE2 3.65Å; F108-F110 HydrophobicContact CE1-CG 4.42Å; F108-F110 AromaticContact CE1-CZ 3.15Å; F108-F110 HydrophobicContact CE1-CZ 3.15Å; F108-F110 HydrophobicContact CZ-CE1 4.15Å; F108-F110 AromaticContact CZ-CZ 3.95Å; F108-F110 HydrophobicContact CZ-CZ 3.95Å; F110-L122 HydrophobicContact CB-CD1 4.34Å; F110-L122 HydrophobicContact CD1-CD1 4.18Å; F110-Y123 CarbonylContact C-O 3.59Å; F110-Y123 VanDerWaalsContact CA-O 3.23Å; F110-Y123 WeakPolarHBondContact CA-O 3.4Å; F110-Y134 HydrophobicContact CE1-CD2 4.28Å; F110-Y134 HydrophobicContact CE1-CE2 4.41Å; F110-W137 HydrophobicContact CE1-CB 4.09Å; F110-W137 HydrophobicContact CE1-CG 4.44Å; F110-W137 HydrophobicContact CZ-CB 4.19Å; F110-W137 AromaticContact CZ-CD1 3.71Å; F110-W137 HydrophobicContact CZ-CG 4.3Å; F110-V139 HydrophobicContact CE2-CB 4.47Å; F110-V139 HydrophobicContact CE2-CG1 3.83Å; F110-V139 HydrophobicContact CE2-CG2 3.77Å; F110-V139 HydrophobicContact CZ-CG1 3.84Å
111L98.7Very high96.7Very high1 Ų148.4 Ų48.41%0.00525%0.25CS..EExtended strand (participates in β ladder)trans-117.9137.2172.3-62.7172.9000108.8V43 I47 G48 F49 L85 A86 L122 Y123 I125V43-L111 HydrophobicContact CG2-CD2 4.13Å; I47-L111 HydrophobicContact CG2-CB 4.41Å; I47-L111 HydrophobicContact CG2-CD2 4.04Å; G48-L111 WeakPolarHBondContact O-CA 3.16Å; F49-L111 HydrophobicContact CB-CD2 4.35Å; F49-L111 HydrophobicContact CD2-CD2 3.75Å; L85-L111 HydrophobicContact CD2-CD1 3.94Å; L85-L111 HydrophobicContact CD2-CD2 4.29Å; L85-L111 HydrophobicContact CG-CD1 3.93Å; A86-L111 HydrophobicContact CB-CD1 3.97Å; L111-L122 WeakPolarHBondContact O-CA 3.03Å; L111-Y123 PolarHBondContact N-O 2.99Å; L111-Y123 PolarHBondContact O-N 3.41Å; L111-I125 HydrophobicContact CD1-CD1 4.4Å
112S98.6Very high96.9Very high1 Ų144.2 Ų44.21%0.00722%0.216CC..EExtended strand (participates in β ladder)trans-132.3145.9176.260.20000111.7F21 I47 G48 Q121F21-S112 WeakPolarHBondContact CE2-OG 3.36Å; F21-S112 WeakPolarHBondContact CZ-OG 3.5Å; I47-S112 CarbonylContact C-O 3.49Å; I47-S112 VanDerWaalsContact CA-O 3.25Å; I47-S112 WeakPolarHBondContact CA-O 3.35Å; G48-S112 PolarHBondContact N-O 3.48Å; G48-S112 PolarHBondContact O-N 3.08Å; S112-Q121 VanDerWaalsContact CA-O 3.27Å; S112-Q121 WeakPolarHBondContact CA-O 3.46Å
113S98.5Very high97.1Very high1 Ų141 Ų411%0.00720%0.201CC..EExtended strand (participates in β ladder)trans-147167.1169.468.50000110.3H46 C82 Q121H46-S113 WeakPolarHBondContact O-CA 3.19Å; H46-S113 WeakPolarHBondContact O-CB 3.32Å; C82-S113 WeakPolarHBondContact CB-OG 3.42Å; S113-Q121 PolarHBondContact N-O 3.45Å; S113-Q121 PolarHBondContact O-N 3.43Å; S113-Q121 PolarHBondContact OG-OE1 3.04Å
114W98.2Very high97.3Very high21 Ų2134.3 Ų34.38%0.0818%0.175CC..EExtended strand (participates in β ladder)trans-140.6136165.6179.297000108.5D17 K116 V190 E192 G196D17-W114 PolarHBondContact O-NE1 3.38Å; D17-W114 VanDerWaalsContact O-NE1 3.16Å; W114-K116 HydrophobicContact CH2-CG 3.7Å; W114-K116 HydrophobicContact CZ2-CG 4.48Å; W114-K116 HydrophobicContact CZ3-CG 4.19Å; W114-V190 HydrophobicContact CB-CG2 3.99Å; W114-E192 HydrophobicContact CD2-CB 4.45Å; W114-E192 HydrophobicContact CH2-CB 3.74Å; W114-E192 HydrophobicContact CH2-CG 3.65Å; W114-E192 VanDerWaalsContact CZ2-CA 3.45Å; W114-E192 HydrophobicContact CZ2-CB 3.3Å; W114-E192 HydrophobicContact CZ2-CG 3.54Å; W114-E192 HydrophobicContact CZ3-CB 4.46Å; W114-G196 WeakPolarHBondContact O-CA 3.16Å
115D96.1Very high97.4Very high49 Ų4931.3 Ų31.326%0.26216%0.155SC..EExtended strand (participates in β ladder)trans-144.3167.3169.169.758.5000110.2E117 N118 G119D115-E117 VanDerWaalsContact C-N 3.32Å; D115-E117 PolarHBondContact O-N 2.93Å; D115-E117 WeakPolarHBondContact OD1-CA 3.33Å; D115-E117 PolarHBondContact OD1-N 3.37Å; D115-N118 WeakPolarHBondContact OD1-CB 3.38Å; D115-N118 PolarHBondContact OD1-N 3.44Å; D115-N118 PolarHBondContact OD1-ND2 3.38Å; D115-N118 PolarHBondContact OD2-ND2 3.47Å; D115-G119 PolarHBondContact N-O 3Å; D115-G119 WeakPolarHBondContact O-CA 3.41Å; D115-G119 PolarHBondContact O-N 3.18Å
116K95Very high97.4Very high175 Ų17532.1 Ų32.176%0.76116%0.16SC*.THydrogen-bonded Turntrans-71.9-23.1-177.1-70.3-176176.7-177.40113.9W114W114-K116 HydrophobicContact CH2-CG 3.7Å; W114-K116 HydrophobicContact CZ2-CG 4.48Å; W114-K116 HydrophobicContact CZ3-CG 4.19Å
117E94.5Very high97.4Very high186 Ų18631.9 Ų31.987%0.86916%0.156SC*.THydrogen-bonded Turntrans-88.9-41.4-172.8-64.6-179.3-179.800111.6D115D115-E117 VanDerWaalsContact C-N 3.32Å; D115-E117 PolarHBondContact O-N 2.93Å; D115-E117 WeakPolarHBondContact OD1-CA 3.33Å; D115-E117 PolarHBondContact OD1-N 3.37Å
118N94.2Very high97.4Very high87 Ų8734.7 Ų34.747%0.46518%0.176SC..THydrogen-bonded Turntrans-106-13.8-175.6-56.7-65.5000113.4D115 Q121D115-N118 WeakPolarHBondContact OD1-CB 3.38Å; D115-N118 PolarHBondContact OD1-N 3.44Å; D115-N118 PolarHBondContact OD1-ND2 3.38Å; D115-N118 PolarHBondContact OD2-ND2 3.47Å; N118-Q121 HydrophobicContact CB-CG 4.42Å; N118-Q121 VanDerWaalsContact CB-NE2 3.3Å
119G96.1Very high97.3Very high18 Ų1835 Ų3519%0.18618%0.182CC..EExtended strand (participates in β ladder)trans69.5-158.5-17400000112.8D115D115-G119 PolarHBondContact N-O 3Å; D115-G119 WeakPolarHBondContact O-CA 3.41Å; D115-G119 PolarHBondContact O-N 3.18Å
120P97.9Very high97.3Very high8 Ų836 Ų365%0.05219%0.19CC..EExtended strand (participates in β ladder)trans-70.6134.3178.725.7-30.2000111.3R14 G15 Q16 V19R14-P120 HydrophobicContact CG-CB 3.99Å; R14-P120 HydrophobicContact CG-CG 4.11Å; R14-P120 PolarHBondContact NE-O 2.86Å; R14-P120 PolarHBondContact NH2-O 3.36Å; G15-P120 WeakPolarHBondContact O-CG 3.5Å; Q16-P120 WeakPolarHBondContact O-CG 3.41Å; V19-P120 HydrophobicContact CG2-CB 3.75Å
121Q98Very high97.2Very high22 Ų2237.7 Ų37.710%0.10320%0.202CC..EExtended strand (participates in β ladder)trans-125.1137.2178.6-63.2-172.5-2400110.5V19 S112 S113 N118 Y123V19-Q121 WeakPolarHBondContact CG2-O 3.46Å; S112-Q121 VanDerWaalsContact CA-O 3.27Å; S112-Q121 WeakPolarHBondContact CA-O 3.46Å; S113-Q121 PolarHBondContact N-O 3.45Å; S113-Q121 PolarHBondContact O-N 3.43Å; S113-Q121 PolarHBondContact OG-OE1 3.04Å; N118-Q121 HydrophobicContact CB-CG 4.42Å; N118-Q121 VanDerWaalsContact CB-NE2 3.3Å; Q121-Y123 HydrophobicContact CB-CD2 4.45Å; Q121-Y123 HydrophobicContact CB-CE2 4Å
122L98.5Very high97.2Very high4 Ų444.4 Ų44.42%0.02123%0.228CC..EExtended strand (participates in β ladder)trans-139.4115.617917260000108.9V12 R14 V19 F21 F110 L111 G133 Y134V12-L122 HydrophobicContact CB-CD1 4.11Å; V12-L122 HydrophobicContact CB-CD2 4.06Å; V12-L122 HydrophobicContact CG2-CD1 4.17Å; V12-L122 HydrophobicContact CG2-CD2 3.85Å; V12-L122 HydrophobicContact CG2-CG 4.5Å; R14-L122 HydrophobicContact CB-CB 4.23Å; R14-L122 HydrophobicContact CB-CD2 4.23Å; V19-L122 HydrophobicContact CG1-CB 4.18Å; V19-L122 HydrophobicContact CG1-CD1 4.08Å; V19-L122 HydrophobicContact CG1-CD2 4.35Å; V19-L122 HydrophobicContact CG1-CG 4.44Å; V19-L122 HydrophobicContact CG2-CB 4.41Å; F21-L122 HydrophobicContact CE1-CD1 3.68Å; F21-L122 HydrophobicContact CZ-CD1 4.32Å; F110-L122 HydrophobicContact CB-CD1 4.34Å; F110-L122 HydrophobicContact CD1-CD1 4.18Å; L111-L122 WeakPolarHBondContact O-CA 3.03Å; L122-G133 CarbonylContact O-C 3.6Å; L122-G133 VanDerWaalsContact O-CA 3.32Å; L122-G133 WeakPolarHBondContact O-CA 3.45Å; L122-Y134 PolarHBondContact O-N 3.08Å
123Y98.7Very high97.2Very high40 Ų4047 Ų4716%0.15725%0.254CS..EExtended strand (participates in β ladder)trans-118.4143.4177.5-68.5-85.2000110.4K83 A86 F110 L111 Q121 Y132K83-Y123 HydrophobicContact CB-CE2 3.88Å; K83-Y123 WeakPolarHBondContact CB-OH 3.47Å; K83-Y123 HydrophobicContact CG-CE1 4.18Å; K83-Y123 HydrophobicContact CG-CE2 4.43Å; K83-Y123 WeakPolarHBondContact CG-OH 3.31Å; A86-Y123 HydrophobicContact CB-CD1 4.32Å; A86-Y123 HydrophobicContact CB-CD2 4.35Å; A86-Y123 HydrophobicContact CB-CG 3.86Å; F110-Y123 CarbonylContact C-O 3.59Å; F110-Y123 VanDerWaalsContact CA-O 3.23Å; F110-Y123 WeakPolarHBondContact CA-O 3.4Å; L111-Y123 PolarHBondContact N-O 2.99Å; L111-Y123 PolarHBondContact O-N 3.41Å; Q121-Y123 HydrophobicContact CB-CD2 4.45Å; Q121-Y123 HydrophobicContact CB-CE2 4Å; Y123-Y132 CarbonylContact C-O 3.57Å; Y123-Y132 WeakPolarHBondContact CA-O 3.5Å
124G98.4Very high97.1Very high0 Ų048.5 Ų48.50%026%0.26CS..EExtended strand (participates in β ladder)trans-126140.1175.200000110.8I109 C131 Y132I109-G124 WeakPolarHBondContact O-CA 3.41Å; G124-C131 WeakPolarHBondContact O-CA 3.38Å; G124-Y132 PolarHBondContact N-O 3.41Å; G124-Y132 PolarHBondContact O-N 2.81Å; G124-Y132 VanDerWaalsContact O-N 3.08Å
125I98.4Very high97Very high3 Ų354.5 Ų54.52%0.01529%0.287CS..EExtended strand (participates in β ladder)trans-124.3122.5-179.2-57.2156.6000108.5A86 A89 A90 V93 F108 I109 L111 A130 C131A86-I125 HydrophobicContact CB-CD1 4.46Å; A86-I125 WeakPolarHBondContact O-CD1 3.43Å; A89-I125 HydrophobicContact CB-CD1 3.69Å; A90-I125 HydrophobicContact CB-CD1 4.46Å; A90-I125 HydrophobicContact CB-CG1 4.25Å; A90-I125 HydrophobicContact CB-CG2 4.09Å; V93-I125 HydrophobicContact CB-CG2 4.44Å; V93-I125 HydrophobicContact CG2-CG2 4.3Å; F108-I125 WeakPolarHBondContact CA-O 3.21Å; F108-I125 WeakPolarHBondContact CD1-O 3.46Å; F108-I125 WeakPolarHBondContact CG-O 3.4Å; I109-I125 HydrophobicContact CD1-CB 4.4Å; I109-I125 HydrophobicContact CD1-CD1 3.79Å; I109-I125 HydrophobicContact CG1-CB 3.81Å; I109-I125 HydrophobicContact CG1-CD1 4.02Å; I109-I125 HydrophobicContact CG1-CG1 4.41Å; I109-I125 PolarHBondContact N-O 2.83Å; I109-I125 VanDerWaalsContact N-O 3.07Å; I109-I125 PolarHBondContact O-N 3.37Å; L111-I125 HydrophobicContact CD1-CD1 4.4Å; I125-A130 WeakPolarHBondContact CA-O 3.5Å; I125-C131 HydrophobicContact CG1-CB 4.18Å
126D96.8Very high97.1Very high31 Ų3153.2 Ų53.217%0.16628%0.283CS..  trans-90.9167.4179.989.1-7.9000112.4F108 S128 G129 A130F108-D126 HydrophobicContact CD2-CB 3.69Å; F108-D126 HydrophobicContact CE2-CB 3.46Å; F108-D126 VanDerWaalsContact CE2-CB 3.46Å; F108-D126 HydrophobicContact CZ-CB 4.29Å; D126-S128 VanDerWaalsContact CG-OG 3.3Å; D126-S128 PolarHBondContact O-N 2.8Å; D126-S128 WeakPolarHBondContact OD1-CA 3.42Å; D126-S128 VanDerWaalsContact OD1-CB 3.31Å; D126-S128 WeakPolarHBondContact OD1-CB 3.49Å; D126-S128 PolarHBondContact OD1-N 2.93Å; D126-S128 PolarHBondContact OD1-OG 2.97Å; D126-S128 PolarHBondContact OD2-OG 3.41Å; D126-G129 PolarHBondContact O-N 3.04Å; D126-G129 PolarHBondContact OD1-N 3.26Å; D126-A130 PolarHBondContact N-O 2.86Å; D126-A130 VanDerWaalsContact N-O 3.1Å; D126-A130 WeakPolarHBondContact OD1-CB 3.34Å; D126-A130 PolarHBondContact OD1-N 2.86Å
127P96.7Very high97.2Very high11 Ų1148.7 Ų48.77%0.07126%0.261CS..THydrogen-bonded Turntrans-55.1-15.4176.3-32.538.4000117M1 V4 F105 C107M1-P127 HydrophobicContact SD-CG 4Å; V4-P127 HydrophobicContact CG2-CG 3.97Å; F105-P127 WeakPolarHBondContact O-CB 3.04Å; C107-P127 WeakPolarHBondContact O-CG 3.3Å
128S96.5Very high97.3Very high61 Ų6140 Ų4043%0.42722%0.221SC..THydrogen-bonded Turntrans-87.1-11.8177.676.90000112.9H94 D126 A130H94-S128 PolarHBondContact ND1-O 3.34Å; D126-S128 VanDerWaalsContact CG-OG 3.3Å; D126-S128 PolarHBondContact O-N 2.8Å; D126-S128 WeakPolarHBondContact OD1-CA 3.42Å; D126-S128 VanDerWaalsContact OD1-CB 3.31Å; D126-S128 WeakPolarHBondContact OD1-CB 3.49Å; D126-S128 PolarHBondContact OD1-N 2.93Å; D126-S128 PolarHBondContact OD1-OG 2.97Å; D126-S128 PolarHBondContact OD2-OG 3.41Å; S128-A130 PolarHBondContact OG-N 2.93Å
129G96.8Very high97.5Very high15 Ų1536 Ų3616%0.15520%0.2CC..  trans87.713.4-17100000113A90 D126A90-G129 WeakPolarHBondContact CB-O 3.32Å; D126-G129 PolarHBondContact O-N 3.04Å; D126-G129 PolarHBondContact OD1-N 3.26Å
130A97.5Very high97.4Very high21 Ų2135.2 Ų35.217%0.17419%0.191CC..  trans-75.8128.9173.900000109.9I125 D126 S128 Y132I125-A130 WeakPolarHBondContact CA-O 3.5Å; D126-A130 PolarHBondContact N-O 2.86Å; D126-A130 VanDerWaalsContact N-O 3.1Å; D126-A130 WeakPolarHBondContact OD1-CB 3.34Å; D126-A130 PolarHBondContact OD1-N 2.86Å; S128-A130 PolarHBondContact OG-N 2.93Å; A130-Y132 HydrophobicContact CB-CD2 4.42Å; A130-Y132 HydrophobicContact CB-CE2 3.64Å
131C98.1Very high97.2Very high37 Ų3737.9 Ų37.925%0.2520%0.202CC..EExtended strand (participates in β ladder)trans-117.3124.7-179.8179.40000111.1A90 G124 I125A90-C131 HydrophobicContact CB-CB 3.57Å; G124-C131 WeakPolarHBondContact O-CA 3.38Å; I125-C131 HydrophobicContact CG1-CB 4.18Å
132Y98.1Very high97Very high141 Ų14138.7 Ų38.755%0.55321%0.207SC*.EExtended strand (participates in β ladder)trans-135150.8179-58.6-70.4000111.7Y123 G124 A130 Y134Y123-Y132 CarbonylContact C-O 3.57Å; Y123-Y132 WeakPolarHBondContact CA-O 3.5Å; G124-Y132 PolarHBondContact N-O 3.41Å; G124-Y132 PolarHBondContact O-N 2.81Å; G124-Y132 VanDerWaalsContact O-N 3.08Å; A130-Y132 HydrophobicContact CB-CD2 4.42Å; A130-Y132 HydrophobicContact CB-CE2 3.64Å; Y132-Y134 WeakPolarHBondContact O-CD2 3.27Å; Y132-Y134 VanDerWaalsContact O-CE2 3.22Å; Y132-Y134 WeakPolarHBondContact O-CE2 3.28Å
133G97.6Very high96.8Very high55 Ų5542.3 Ų42.357%0.56722%0.221SC*.EExtended strand (participates in β ladder)trans-83.5134.5167.600000111L122L122-G133 CarbonylContact O-C 3.6Å; L122-G133 VanDerWaalsContact O-CA 3.32Å; L122-G133 WeakPolarHBondContact O-CA 3.45Å
134Y96.8Very high96.6Very high34 Ų3446.2 Ų46.213%0.13324%0.244CC..  trans-118.5146.8-176.7-65.5-90.8000112.1F110 L122 Y132 W137F110-Y134 HydrophobicContact CE1-CD2 4.28Å; F110-Y134 HydrophobicContact CE1-CE2 4.41Å; L122-Y134 PolarHBondContact O-N 3.08Å; Y132-Y134 WeakPolarHBondContact O-CD2 3.27Å; Y132-Y134 VanDerWaalsContact O-CE2 3.22Å; Y132-Y134 WeakPolarHBondContact O-CE2 3.28Å; Y134-W137 HydrophobicContact CD1-CB 3.78Å; Y134-W137 AromaticContact CD1-CD2 3.68Å; Y134-W137 HydrophobicContact CD1-CD2 3.68Å; Y134-W137 AromaticContact CD1-CE3 3.61Å; Y134-W137 HydrophobicContact CD1-CE3 3.61Å; Y134-W137 AromaticContact CD1-CG 3.79Å; Y134-W137 HydrophobicContact CD1-CG 3.79Å; Y134-W137 HydrophobicContact CD1-CZ3 4.41Å; Y134-W137 HydrophobicContact CE1-CB 4.28Å; Y134-W137 AromaticContact CE1-CD2 3.46Å; Y134-W137 HydrophobicContact CE1-CD2 3.46Å; Y134-W137 VanDerWaalsContact CE1-CD2 3.46Å; Y134-W137 AromaticContact CE1-CE2 3.92Å; Y134-W137 AromaticContact CE1-CE3 3.6Å; Y134-W137 HydrophobicContact CE1-CE3 3.6Å; Y134-W137 AromaticContact CE1-CG 3.8Å; Y134-W137 HydrophobicContact CE1-CG 3.8Å; Y134-W137 HydrophobicContact CE1-CH2 4.49Å; Y134-W137 HydrophobicContact CE1-CZ2 4.41Å; Y134-W137 HydrophobicContact CE1-CZ3 4.13Å; Y134-W137 HydrophobicContact CG-CB 4.15Å
135K96.6Very high96.4Very high146 Ų14648.5 Ų48.564%0.63526%0.262SS*.SBendtrans-83.7-44.7164.4-66179.7178.5-176.50110.6R14 V156R14-K135 WeakPolarHBondContact CA-O 3.35Å; R14-K135 VanDerWaalsContact CB-O 3.28Å; R14-K135 WeakPolarHBondContact CB-O 3.41Å; R14-K135 PolarHBondContact N-O 2.84Å; K135-V156 HydrophobicContact CB-CG2 4.24Å; K135-V156 HydrophobicContact CD-CG2 3.77Å; K135-V156 HydrophobicContact CG-CG2 3.95Å
136A97.5Very high96.3Very high22 Ų2248.4 Ų48.418%0.18226%0.262CS..EExtended strand (participates in β ladder)trans-155154.3169.500000108V12 M13 L150V12-A136 CarbonylContact O-C 3.52Å; V12-A136 WeakPolarHBondContact O-CA 3.28Å; M13-A136 HydrophobicContact CG-CB 3.96Å; A136-L150 HydrophobicContact CB-CD1 4.3Å; A136-L150 HydrophobicContact CB-CD2 4.08Å
137W97.5Very high96.3Very high81 Ų8150.3 Ų50.331%0.30727%0.269SS..EExtended strand (participates in β ladder)trans-157.8163.8174.9-156.3-102.7000111.8V12 F110 Y134V12-W137 HydrophobicContact CG2-CB 3.85Å; V12-W137 WeakPolarHBondContact CG2-O 3.14Å; V12-W137 PolarHBondContact N-O 3Å; V12-W137 PolarHBondContact O-N 2.95Å; F110-W137 HydrophobicContact CE1-CB 4.09Å; F110-W137 HydrophobicContact CE1-CG 4.44Å; F110-W137 HydrophobicContact CZ-CB 4.19Å; F110-W137 AromaticContact CZ-CD1 3.71Å; F110-W137 HydrophobicContact CZ-CG 4.3Å; Y134-W137 HydrophobicContact CD1-CB 3.78Å; Y134-W137 AromaticContact CD1-CD2 3.68Å; Y134-W137 HydrophobicContact CD1-CD2 3.68Å; Y134-W137 AromaticContact CD1-CE3 3.61Å; Y134-W137 HydrophobicContact CD1-CE3 3.61Å; Y134-W137 AromaticContact CD1-CG 3.79Å; Y134-W137 HydrophobicContact CD1-CG 3.79Å; Y134-W137 HydrophobicContact CD1-CZ3 4.41Å; Y134-W137 HydrophobicContact CE1-CB 4.28Å; Y134-W137 AromaticContact CE1-CD2 3.46Å; Y134-W137 HydrophobicContact CE1-CD2 3.46Å; Y134-W137 VanDerWaalsContact CE1-CD2 3.46Å; Y134-W137 AromaticContact CE1-CE2 3.92Å; Y134-W137 AromaticContact CE1-CE3 3.6Å; Y134-W137 HydrophobicContact CE1-CE3 3.6Å; Y134-W137 AromaticContact CE1-CG 3.8Å; Y134-W137 HydrophobicContact CE1-CG 3.8Å; Y134-W137 HydrophobicContact CE1-CH2 4.49Å; Y134-W137 HydrophobicContact CE1-CZ2 4.41Å; Y134-W137 HydrophobicContact CE1-CZ3 4.13Å; Y134-W137 HydrophobicContact CG-CB 4.15Å
138S97.2Very high96.3Very high3 Ų352 Ų522%0.02128%0.284CS..EExtended strand (participates in β ladder)trans-137.4145.8174.462.70000111.3C10 R143C10-S138 CarbonylContact O-C 3.53Å; C10-S138 VanDerWaalsContact O-CA 3.25Å; C10-S138 WeakPolarHBondContact O-CA 3.43Å; S138-R143 PolarHBondContact OG-O 2.88Å
139V97.2Very high96.3Very high3 Ų351 Ų512%0.01827%0.272CS..EExtended strand (participates in β ladder)trans-136.8160.7176.2-66.60000109.7V4 T9 C10 F108 F110V4-V139 HydrophobicContact CG1-CB 4.06Å; V4-V139 HydrophobicContact CG1-CG1 4.5Å; T9-V139 CarbonylContact C-O 3.56Å; T9-V139 VanDerWaalsContact CA-O 3.26Å; T9-V139 WeakPolarHBondContact CA-O 3.47Å; C10-V139 HydrophobicContact CB-CG2 3.79Å; C10-V139 PolarHBondContact N-O 3.42Å; C10-V139 PolarHBondContact O-N 3.44Å; F108-V139 HydrophobicContact CB-CG1 4.22Å; F108-V139 HydrophobicContact CD1-CG1 3.98Å; F108-V139 HydrophobicContact CD2-CG1 4.04Å; F108-V139 HydrophobicContact CE1-CG1 4.43Å; F108-V139 HydrophobicContact CE2-CG1 4.44Å; F108-V139 HydrophobicContact CG-CG1 3.81Å; F110-V139 HydrophobicContact CE2-CB 4.47Å; F110-V139 HydrophobicContact CE2-CG1 3.83Å; F110-V139 HydrophobicContact CE2-CG2 3.77Å; F110-V139 HydrophobicContact CZ-CG1 3.84Å
140G95.2Very high96.2Very high1 Ų150.9 Ų50.91%0.0127%0.268CS..SBendtrans102-173.3-176.900000113.7V4 D5 S7 N142 R143V4-G140 WeakPolarHBondContact O-CA 3.3Å; D5-G140 CarbonylContact O-C 3.52Å; S7-G140 CarbonylContact O-C 3.57Å; S7-G140 WeakPolarHBondContact O-CA 3.44Å; G140-N142 VanDerWaalsContact C-N 3.34Å; G140-N142 PolarHBondContact O-N 3.29Å; G140-R143 WeakPolarHBondContact O-CB 3.49Å; G140-R143 WeakPolarHBondContact O-CG 3.46Å; G140-R143 PolarHBondContact O-N 3.1Å
141K93.2Very high96.1Very high65 Ų6556.5 Ų56.528%0.28329%0.291SS..THydrogen-bonded Turntrans-54.3-41.9-174.861.4-176.3-179.1-172.50114.2D5 S7 E24 D180D5-K141 WeakPolarHBondContact O-CA 3.22Å; D5-K141 PolarHBondContact O-N 3.3Å; S7-K141 PolarHBondContact O-N 3.44Å; E24-K141 WeakPolarHBondContact OE1-CE 3.18Å; E24-K141 IonicContact OE1-NZ 2.73Å; E24-K141 PolarHBondContact OE1-NZ 3.46Å; E24-K141 WeakPolarHBondContact OE2-CE 3.26Å; E24-K141 IonicContact OE2-NZ 2.69Å; K141-D180 WeakPolarHBondContact CE-OD2 3.44Å; K141-D180 IonicContact NZ-OD1 2.67Å; K141-D180 PolarHBondContact NZ-OD1 2.97Å; K141-D180 IonicContact NZ-OD2 2.78Å; K141-D180 PolarHBondContact NZ-OD2 3.41Å
142N93.5Very high95.9Very high38 Ų3861.9 Ų61.920%0.20331%0.31CS..THydrogen-bonded Turntrans-100.921.5-175.7-60.1-24.1000112.6T9 G140 L144 A145 A146 I174T9-N142 HydrophobicContact CG2-CB 4.36Å; T9-N142 WeakPolarHBondContact OG1-CB 3.5Å; T9-N142 PolarHBondContact OG1-N 3.32Å; G140-N142 VanDerWaalsContact C-N 3.34Å; G140-N142 PolarHBondContact O-N 3.29Å; N142-L144 VanDerWaalsContact C-N 3.28Å; N142-L144 PolarHBondContact O-N 2.91Å; N142-A145 PolarHBondContact O-N 3.1Å; N142-A146 WeakPolarHBondContact O-CB 3.41Å; N142-A146 PolarHBondContact O-N 3.06Å; N142-I174 HydrophobicContact CB-CB 4.44Å; N142-I174 HydrophobicContact CB-CD1 3.89Å; N142-I174 HydrophobicContact CB-CG1 4.17Å; N142-I174 PolarHBondContact ND2-O 3.32Å
143R94.1Very high95.6Very high81 Ų8156.5 Ų56.531%0.30629%0.29SS..Hα-helixtrans-58.8-35.8-174.469.4175.817876.52113.8D5 S138 G140 K147D5-R143 IonicContact OD1-CZ 3.57Å; D5-R143 IonicContact OD1-NE 2.73Å; D5-R143 PolarHBondContact OD1-NE 3.45Å; D5-R143 IonicContact OD1-NH2 2.74Å; S138-R143 PolarHBondContact OG-O 2.88Å; G140-R143 WeakPolarHBondContact O-CB 3.49Å; G140-R143 WeakPolarHBondContact O-CG 3.46Å; G140-R143 PolarHBondContact O-N 3.1Å; R143-K147 WeakPolarHBondContact O-CB 3.42Å; R143-K147 PolarHBondContact O-N 3.22Å
144L94.5Very high95.3Very high122 Ų12258.3 Ų58.364%0.63929%0.29SS*.Hα-helixtrans-67-46.5-178.1-67.7175.8000111.3N142 K147 A148N142-L144 VanDerWaalsContact C-N 3.28Å; N142-L144 PolarHBondContact O-N 2.91Å; L144-K147 PolarHBondContact O-N 2.91Å; L144-A148 PolarHBondContact O-N 3.11Å; L144-A148 VanDerWaalsContact O-N 3.1Å
145A95.6Very high94.9Very high48 Ų4857 Ų5740%0.39729%0.287SS..Hα-helixtrans-64.6-44.9175.500000111.4N142 K147 A148 E149 I174N142-A145 PolarHBondContact O-N 3.1Å; A145-K147 VanDerWaalsContact C-N 3.29Å; A145-K147 PolarHBondContact O-N 2.79Å; A145-A148 PolarHBondContact O-N 3.32Å; A145-E149 PolarHBondContact O-N 3.17Å; A145-I174 HydrophobicContact CB-CB 4.03Å; A145-I174 HydrophobicContact CB-CG2 3.74Å
146A96.3Very high94.6Very high0 Ų052.5 Ų52.50%027%0.271CS..Hα-helixtrans-58.9-41.9175.800000111.9I11 N142 E149 L150 I170 I174I11-A146 HydrophobicContact CD1-CB 4.26Å; I11-A146 HydrophobicContact CG1-CB 4.32Å; N142-A146 WeakPolarHBondContact O-CB 3.41Å; N142-A146 PolarHBondContact O-N 3.06Å; A146-E149 PolarHBondContact O-N 2.74Å; A146-L150 VanDerWaalsContact O-CG 3.26Å; A146-L150 WeakPolarHBondContact O-CG 3.37Å; A146-L150 PolarHBondContact O-N 3.34Å; A146-I170 HydrophobicContact CB-CG2 4.34Å; A146-I174 HydrophobicContact CB-CD1 3.66Å
147K96.1Very high94.4Very high72 Ų7257 Ų5731%0.31329%0.292SS..Hα-helixtrans-64.8-41.2179.7-175.2178175.2-170.10111.6R143 L144 A145 E149 L150 E151R143-K147 WeakPolarHBondContact O-CB 3.42Å; R143-K147 PolarHBondContact O-N 3.22Å; L144-K147 PolarHBondContact O-N 2.91Å; A145-K147 VanDerWaalsContact C-N 3.29Å; A145-K147 PolarHBondContact O-N 2.79Å; K147-E149 VanDerWaalsContact C-N 3.28Å; K147-E149 PolarHBondContact O-N 3.14Å; K147-L150 PolarHBondContact O-N 3.19Å; K147-E151 WeakPolarHBondContact CE-OE1 3.46Å; K147-E151 HydrophobicContact CG-CG 4.5Å; K147-E151 IonicContact NZ-OE1 3.36Å; K147-E151 WeakPolarHBondContact O-CG 3.25Å; K147-E151 PolarHBondContact O-N 3.46Å
148A96.7Very high94.3Very high47 Ų4755.3 Ų55.339%0.38829%0.287SS..Hα-helixtrans-61.2-37176.600000112.3L144 A145 K152L144-A148 PolarHBondContact O-N 3.11Å; L144-A148 VanDerWaalsContact O-N 3.1Å; A145-A148 PolarHBondContact O-N 3.32Å; A148-K152 WeakPolarHBondContact O-CG 3.38Å
149E95.7Very high94.2Very high40 Ų4057.7 Ų57.719%0.18730%0.302CS..Hα-helixtrans-71.2-40.7172.8-72.9-60.8115.500112.7A145 A146 K147 E151 K152 R169 I170A145-E149 PolarHBondContact O-N 3.17Å; A146-E149 PolarHBondContact O-N 2.74Å; K147-E149 VanDerWaalsContact C-N 3.28Å; K147-E149 PolarHBondContact O-N 3.14Å; E149-E151 VanDerWaalsContact C-N 3.29Å; E149-E151 PolarHBondContact O-N 2.86Å; E149-K152 WeakPolarHBondContact O-CB 3.41Å; E149-K152 PolarHBondContact O-N 3.42Å; E149-K152 VanDerWaalsContact O-N 3.17Å; E149-K152 IonicContact OE1-NZ 2.74Å; E149-K152 PolarHBondContact OE1-NZ 3.03Å; E149-R169 IonicContact OE2-CZ 3.19Å; E149-R169 IonicContact OE2-NH1 3.64Å; E149-R169 PolarHBondContact OE2-NH1 3.03Å; E149-R169 IonicContact OE2-NH2 2.7Å; E149-I170 HydrophobicContact CB-CB 4.39Å; E149-I170 HydrophobicContact CB-CD1 4.06Å; E149-I170 HydrophobicContact CB-CG1 3.85Å; E149-I170 HydrophobicContact CB-CG2 3.76Å; E149-I170 HydrophobicContact CG-CG2 4.2Å
150L96.1Very high94.2Very high12 Ų1257.5 Ų57.56%0.06330%0.301CS..Hα-helixtrans-62.6-35.8177.7-72.3171.9000112.3I11 M13 A136 A146 K147 K152 L153 I170I11-L150 HydrophobicContact CG2-CD1 4.33Å; I11-L150 HydrophobicContact CG2-CD2 4.1Å; M13-L150 HydrophobicContact CG-CD2 3.76Å; M13-L150 HydrophobicContact SD-CD2 3.49Å; M13-L150 WeakPolarHBondContact SD-CD2 3.46Å; A136-L150 HydrophobicContact CB-CD1 4.3Å; A136-L150 HydrophobicContact CB-CD2 4.08Å; A146-L150 VanDerWaalsContact O-CG 3.26Å; A146-L150 WeakPolarHBondContact O-CG 3.37Å; A146-L150 PolarHBondContact O-N 3.34Å; K147-L150 PolarHBondContact O-N 3.19Å; L150-K152 PolarHBondContact O-N 3.08Å; L150-L153 PolarHBondContact O-N 2.94Å; L150-L153 VanDerWaalsContact O-N 3.11Å; L150-I170 HydrophobicContact CD2-CD1 3.69Å; L150-I170 HydrophobicContact CG-CD1 4.19Å
151E95Very high94.2Very high139 Ų13963.6 Ų63.665%0.6532%0.324SS*.Hα-helixtrans-65.9-22.4177.3-75.7175.2172.500113.1K147 E149 L153K147-E151 WeakPolarHBondContact CE-OE1 3.46Å; K147-E151 HydrophobicContact CG-CG 4.5Å; K147-E151 IonicContact NZ-OE1 3.36Å; K147-E151 WeakPolarHBondContact O-CG 3.25Å; K147-E151 PolarHBondContact O-N 3.46Å; E149-E151 VanDerWaalsContact C-N 3.29Å; E149-E151 PolarHBondContact O-N 2.86Å; E151-L153 VanDerWaalsContact C-N 3.3Å
152K94.4Very high94.4Very high150 Ų15064.1 Ų64.165%0.65233%0.327SS*.THydrogen-bonded Turntrans-78-15174.4-60.5170.2-173.1175.40112.7A148 E149 L150A148-K152 WeakPolarHBondContact O-CG 3.38Å; E149-K152 WeakPolarHBondContact O-CB 3.41Å; E149-K152 PolarHBondContact O-N 3.42Å; E149-K152 VanDerWaalsContact O-N 3.17Å; E149-K152 IonicContact OE1-NZ 2.74Å; E149-K152 PolarHBondContact OE1-NZ 3.03Å; L150-K152 PolarHBondContact O-N 3.08Å
153L91.3Very high94.5Very high28 Ų2862.3 Ų62.315%0.14732%0.317CS..SBendtrans-102.8130.5-175.1-65.5177.4000111.9L150 E151 C155 E166 I170L150-L153 PolarHBondContact O-N 2.94Å; L150-L153 VanDerWaalsContact O-N 3.11Å; E151-L153 VanDerWaalsContact C-N 3.3Å; L153-C155 PolarHBondContact O-N 2.93Å; L153-C155 VanDerWaalsContact O-N 3.14Å; L153-E166 HydrophobicContact CD1-CB 4Å; L153-E166 HydrophobicContact CD1-CG 4.24Å; L153-I170 HydrophobicContact CD1-CD1 3.77Å
154T91.9Very high94.7Very high92 Ų9258.4 Ų58.456%0.56430%0.303SS*.  trans-8485.9165.5-53.40000109.1V156 D157T154-V156 PolarHBondContact O-N 2.87Å; T154-D157 WeakPolarHBondContact CG2-OD2 3.35Å
155C88.1Confident94.8Very high8 Ų857.2 Ų57.25%0.05429%0.29CS..G310 helixtrans-67-37.3-172.4-63.50000113.3G15 L153 D157 K158 L163G15-C155 WeakPolarHBondContact CA-O 3.47Å; L153-C155 PolarHBondContact O-N 2.93Å; L153-C155 VanDerWaalsContact O-N 3.14Å; C155-D157 PolarHBondContact O-N 2.93Å; C155-K158 PolarHBondContact O-N 3.19Å; C155-K158 VanDerWaalsContact O-N 3.14Å; C155-L163 HydrophobicContact CB-CD2 4.09Å
156V90.6Very high94.8Very high50 Ų5056.2 Ų56.230%0.30328%0.277SS..G310 helixtrans-64.1-26.5-167.6-177.80000113.3G15 Q16 K135 T154G15-V156 CarbonylContact C-O 3.54Å; Q16-V156 VanDerWaalsContact CA-O 3.24Å; Q16-V156 WeakPolarHBondContact CA-O 3.42Å; Q16-V156 WeakPolarHBondContact CB-O 3.31Å; Q16-V156 PolarHBondContact N-O 3.33Å; Q16-V156 VanDerWaalsContact N-O 3.14Å; K135-V156 HydrophobicContact CB-CG2 4.24Å; K135-V156 HydrophobicContact CD-CG2 3.77Å; K135-V156 HydrophobicContact CG-CG2 3.95Å; T154-V156 PolarHBondContact O-N 2.87Å
157D91.8Very high94.8Very high116 Ų11656.2 Ų56.262%0.6228%0.277SS*.G310 helixtrans-97-0.4-176.4-55.3-40.3000112.9T154 C155T154-D157 WeakPolarHBondContact CG2-OD2 3.35Å; C155-D157 PolarHBondContact O-N 2.93Å
158K95.1Very high94.9Very high46 Ų4652.8 Ų52.820%0.226%0.262CS..SBendtrans-99.8145.2-176.1-69.1-178173.2-142.60111.6G15 Q16 C155 E162 L163G15-K158 WeakPolarHBondContact CA-O 3.29Å; Q16-K158 PolarHBondContact N-O 2.94Å; C155-K158 PolarHBondContact O-N 3.19Å; C155-K158 VanDerWaalsContact O-N 3.14Å; K158-E162 HydrophobicContact CD-CG 4.39Å; K158-E162 VanDerWaalsContact CD-OE1 3.25Å; K158-E162 WeakPolarHBondContact CD-OE1 3.26Å; K158-E162 WeakPolarHBondContact CE-OE1 3.47Å; K158-E162 IonicContact NZ-OE1 2.68Å; K158-E162 PolarHBondContact NZ-OE1 3.02Å; K158-L163 HydrophobicContact CB-CD2 3.83Å; K158-L163 HydrophobicContact CB-CG 4.09Å; K158-L163 HydrophobicContact CD-CD2 4.09Å
159P96.5Very high94.8Very high53 Ų5353.5 Ų53.534%0.34426%0.255SS..  trans-69.6152.2173.129.6-34.3000111.4D17 R161 E162 L163D17-P159 WeakPolarHBondContact OD1-CA 3.31Å; P159-R161 PolarHBondContact O-N 2.68Å; P159-R161 VanDerWaalsContact O-N 3.14Å; P159-E162 HydrophobicContact CG-CB 3.93Å; P159-E162 WeakPolarHBondContact O-CB 3.25Å; P159-E162 PolarHBondContact O-N 3.04Å; P159-L163 PolarHBondContact O-N 3.38Å; P159-L163 VanDerWaalsContact O-N 3.1Å
160V96.5Very high94.8Very high0 Ų051.6 Ų51.60%025%0.246CC..Hα-helixtrans-56.2-35-174.971.20000112.6D17 V20 L163 A164 W189D17-V160 WeakPolarHBondContact OD1-CB 3.5Å; D17-V160 PolarHBondContact OD1-N 3.23Å; V20-V160 HydrophobicContact CG2-CG2 3.37Å; V20-V160 WeakPolarHBondContact CG2-O 3.47Å; V160-L163 PolarHBondContact O-N 3.48Å; V160-A164 WeakPolarHBondContact O-CB 3.48Å; V160-A164 PolarHBondContact O-N 3.4Å; V160-W189 HydrophobicContact CG2-CB 3.99Å
161R96Very high94.8Very high128 Ų12851.2 Ų51.248%0.48324%0.244SC..Hα-helixtrans-68.2-37.5177.7-69.8-176.3175.5-165.9-2.4112.6P159 A164 R165 W189 E193 F205P159-R161 PolarHBondContact O-N 2.68Å; P159-R161 VanDerWaalsContact O-N 3.14Å; R161-A164 PolarHBondContact O-N 3.28Å; R161-R165 PolarHBondContact O-N 2.91Å; R161-W189 HydrophobicContact CG-CZ3 4.38Å; R161-E193 IonicContact CZ-OE1 2.79Å; R161-E193 IonicContact CZ-OE2 3.58Å; R161-E193 IonicContact NE-OE1 3.52Å; R161-E193 IonicContact NE-OE2 2.74Å; R161-E193 PolarHBondContact NE-OE2 3.34Å; R161-E193 IonicContact NH2-OE1 3.76Å; R161-E193 PolarHBondContact NH2-OE1 3.02Å; R161-E193 IonicContact NH2-OE2 2.66Å; R161-E193 PolarHBondContact NH2-OE2 3.34Å; R161-F205 HydrophobicContact CB-CE2 4.39Å; R161-F205 HydrophobicContact CB-CZ 4.31Å; R161-F205 HydrophobicContact CG-CE2 4.49Å
162E96.1Very high94.6Very high76 Ų7646 Ų4636%0.35522%0.219SC..Hα-helixtrans-69.4-44.3175.8-172.9-177.8152.500110.1K158 P159 A164 R165 E166K158-E162 HydrophobicContact CD-CG 4.39Å; K158-E162 VanDerWaalsContact CD-OE1 3.25Å; K158-E162 WeakPolarHBondContact CD-OE1 3.26Å; K158-E162 WeakPolarHBondContact CE-OE1 3.47Å; K158-E162 IonicContact NZ-OE1 2.68Å; K158-E162 PolarHBondContact NZ-OE1 3.02Å; P159-E162 HydrophobicContact CG-CB 3.93Å; P159-E162 WeakPolarHBondContact O-CB 3.25Å; P159-E162 PolarHBondContact O-N 3.04Å; E162-A164 VanDerWaalsContact C-N 3.27Å; E162-A164 PolarHBondContact O-N 3.49Å; E162-R165 PolarHBondContact O-N 3.06Å; E162-R165 VanDerWaalsContact O-N 3.11Å; E162-E166 PolarHBondContact O-N 2.96Å
163L96.8Very high94.5Very high0 Ų042.1 Ų42.10%022%0.22CC..Hα-helixtrans-58.1-39.8173.6-66.1-174.1000112.3M13 G15 V20 C155 K158 P159 V160 R165 E166 A167M13-L163 HydrophobicContact CB-CD1 4.18Å; M13-L163 HydrophobicContact CE-CB 4.24Å; M13-L163 WeakPolarHBondContact CE-O 3.17Å; M13-L163 HydrophobicContact SD-CD2 4.4Å; G15-L163 VanDerWaalsContact N-CD1 3.25Å; V20-L163 HydrophobicContact CG2-CB 4.26Å; C155-L163 HydrophobicContact CB-CD2 4.09Å; K158-L163 HydrophobicContact CB-CD2 3.83Å; K158-L163 HydrophobicContact CB-CG 4.09Å; K158-L163 HydrophobicContact CD-CD2 4.09Å; P159-L163 PolarHBondContact O-N 3.38Å; P159-L163 VanDerWaalsContact O-N 3.1Å; V160-L163 PolarHBondContact O-N 3.48Å; L163-R165 VanDerWaalsContact C-N 3.31Å; L163-R165 PolarHBondContact O-N 2.82Å; L163-E166 PolarHBondContact O-N 2.87Å; L163-A167 WeakPolarHBondContact O-CB 3.38Å; L163-A167 PolarHBondContact O-N 3.11Å
164A97.3Very high94.5Very high0 Ų041.9 Ų41.90%022%0.219CC..Hα-helixtrans-60.6-39.6176.700000112.5V20 V160 R161 E162 A167 V168 M187 W189 F205V20-A164 HydrophobicContact CG1-CB 4.23Å; V20-A164 HydrophobicContact CG2-CB 4.09Å; V160-A164 WeakPolarHBondContact O-CB 3.48Å; V160-A164 PolarHBondContact O-N 3.4Å; R161-A164 PolarHBondContact O-N 3.28Å; E162-A164 VanDerWaalsContact C-N 3.27Å; E162-A164 PolarHBondContact O-N 3.49Å; A164-A167 WeakPolarHBondContact O-CB 3.5Å; A164-V168 WeakPolarHBondContact O-CG2 3.31Å; A164-V168 PolarHBondContact O-N 3.39Å; A164-M187 HydrophobicContact CB-CE 4.45Å; A164-M187 HydrophobicContact CB-SD 3.77Å; A164-M187 WeakPolarHBondContact O-CE 3.41Å; A164-W189 HydrophobicContact CB-CE3 4.4Å; A164-W189 HydrophobicContact CB-CZ3 4.47Å; A164-F205 HydrophobicContact CB-CE1 3.66Å; A164-F205 HydrophobicContact CB-CZ 4.05Å
165R96.6Very high94.2Very high97 Ų9739.3 Ų39.337%0.36620%0.199SC..Hα-helixtrans-68.3-46.5174.4-70.2177.9174170.9-3.6111.6R161 E162 L163 A167 V168 R169 F205 E208 A209 W212R161-R165 PolarHBondContact O-N 2.91Å; E162-R165 PolarHBondContact O-N 3.06Å; E162-R165 VanDerWaalsContact O-N 3.11Å; L163-R165 VanDerWaalsContact C-N 3.31Å; L163-R165 PolarHBondContact O-N 2.82Å; R165-A167 VanDerWaalsContact C-N 3.27Å; R165-A167 PolarHBondContact O-N 2.96Å; R165-V168 PolarHBondContact O-N 3.3Å; R165-V168 VanDerWaalsContact O-N 3.16Å; R165-R169 PolarHBondContact O-N 3.21Å; R165-F205 HydrophobicContact CG-CZ 4.02Å; R165-E208 IonicContact CZ-OE1 2.8Å; R165-E208 IonicContact NH2-OE1 3.07Å; R165-E208 PolarHBondContact NH2-OE1 3.49Å; R165-A209 HydrophobicContact CG-CB 4.22Å; R165-W212 HydrophobicContact CB-CE3 4.17Å; R165-W212 HydrophobicContact CB-CZ3 3.92Å; R165-W212 WeakPolarHBondContact O-CZ3 3.29Å
166E96.3Very high93.9Very high26 Ų2642.5 Ų42.512%0.12122%0.216CC..Hα-helixtrans-58.7-38.2176.1-72.8-59.7141.100112.2L153 E162 L163 V168 R169 I170L153-E166 HydrophobicContact CD1-CB 4Å; L153-E166 HydrophobicContact CD1-CG 4.24Å; E162-E166 PolarHBondContact O-N 2.96Å; L163-E166 PolarHBondContact O-N 2.87Å; E166-V168 VanDerWaalsContact C-N 3.27Å; E166-V168 PolarHBondContact O-N 3.05Å; E166-R169 WeakPolarHBondContact O-CB 3.45Å; E166-R169 PolarHBondContact O-N 3.34Å; E166-R169 IonicContact OE2-CZ 2.71Å; E166-R169 IonicContact OE2-NE 3.52Å; E166-R169 PolarHBondContact OE2-NE 2.97Å; E166-R169 IonicContact OE2-NH2 3.64Å; E166-R169 PolarHBondContact OE2-NH2 3.25Å; E166-I170 VanDerWaalsContact O-CG1 3.3Å; E166-I170 WeakPolarHBondContact O-CG1 3.47Å; E166-I170 PolarHBondContact O-N 3.36Å
167A97.1Very high93.4Very high1 Ų146.5 Ų46.51%0.00823%0.231CC..Hα-helixtrans-56.1-46.2177.200000111M13 L22 L163 A164 R165 I170 M171M13-A167 VanDerWaalsContact CE-CA 3.49Å; M13-A167 HydrophobicContact CE-CB 3.27Å; L22-A167 HydrophobicContact CB-CB 4.01Å; L22-A167 HydrophobicContact CD2-CB 3.65Å; L22-A167 WeakPolarHBondContact CD2-O 3.46Å; L22-A167 HydrophobicContact CG-CB 4.41Å; L163-A167 WeakPolarHBondContact O-CB 3.38Å; L163-A167 PolarHBondContact O-N 3.11Å; A164-A167 WeakPolarHBondContact O-CB 3.5Å; R165-A167 VanDerWaalsContact C-N 3.27Å; R165-A167 PolarHBondContact O-N 2.96Å; A167-I170 PolarHBondContact O-N 2.95Å; A167-M171 WeakPolarHBondContact O-CB 3.32Å; A167-M171 PolarHBondContact O-N 3.42Å
168V97Very high92.8Very high0 Ų046 Ų460%023%0.232CC..Hα-helixtrans-68-42.7-179.8-177.90000110.3L22 A164 R165 E166 I170 M171 Y172 L185 M187 L206 A209 E210 A213L22-V168 HydrophobicContact CD1-CG2 4.44Å; L22-V168 HydrophobicContact CD2-CG2 4.32Å; A164-V168 WeakPolarHBondContact O-CG2 3.31Å; A164-V168 PolarHBondContact O-N 3.39Å; R165-V168 PolarHBondContact O-N 3.3Å; R165-V168 VanDerWaalsContact O-N 3.16Å; E166-V168 VanDerWaalsContact C-N 3.27Å; E166-V168 PolarHBondContact O-N 3.05Å; V168-I170 PolarHBondContact O-N 2.93Å; V168-M171 PolarHBondContact O-N 2.87Å; V168-Y172 HydrophobicContact CG1-CD2 3.68Å; V168-Y172 HydrophobicContact CG1-CE2 3.77Å; V168-Y172 WeakPolarHBondContact O-CD2 3.32Å; V168-Y172 PolarHBondContact O-N 2.96Å; V168-L185 HydrophobicContact CG1-CD1 3.88Å; V168-L185 HydrophobicContact CG2-CD1 4.3Å; V168-M187 HydrophobicContact CG2-CE 3.18Å; V168-L206 HydrophobicContact CG2-CD1 4.23Å; V168-A209 HydrophobicContact CB-CB 4.26Å; V168-A209 HydrophobicContact CG1-CB 4.48Å; V168-A209 HydrophobicContact CG2-CB 3.94Å; V168-E210 HydrophobicContact CG1-CG 4.16Å; V168-A213 HydrophobicContact CG1-CB 3.79Å
169R95.5Very high91.9Very high61 Ų6148.6 Ų48.623%0.2325%0.252CS..Hα-helixtrans-54.9-51.1174.4-174.9-171.568.477.61.8111.3E149 R165 E166 M171 Y172 G173 W212 L216E149-R169 IonicContact OE2-CZ 3.19Å; E149-R169 IonicContact OE2-NH1 3.64Å; E149-R169 PolarHBondContact OE2-NH1 3.03Å; E149-R169 IonicContact OE2-NH2 2.7Å; R165-R169 PolarHBondContact O-N 3.21Å; E166-R169 WeakPolarHBondContact O-CB 3.45Å; E166-R169 PolarHBondContact O-N 3.34Å; E166-R169 IonicContact OE2-CZ 2.71Å; E166-R169 IonicContact OE2-NE 3.52Å; E166-R169 PolarHBondContact OE2-NE 2.97Å; E166-R169 IonicContact OE2-NH2 3.64Å; E166-R169 PolarHBondContact OE2-NH2 3.25Å; R169-M171 VanDerWaalsContact C-N 3.34Å; R169-M171 PolarHBondContact O-N 3.22Å; R169-Y172 PolarHBondContact O-N 3.36Å; R169-G173 PolarHBondContact O-N 3.27Å; R169-W212 HydrophobicContact CB-CH2 4.32Å; R169-W212 HydrophobicContact CB-CZ3 3.78Å; R169-W212 HydrophobicContact CG-CZ3 4.42Å; R169-L216 HydrophobicContact CG-CD1 4.06Å
170I95.8Very high90.8Very high1 Ų147.2 Ų47.21%0.00524%0.241CC..Hα-helixtrans-60.3-46.7179.2-63172.9000110.2I11 A146 E149 L150 L153 E166 A167 V168 Y172 G173 I174I11-I170 HydrophobicContact CD1-CB 4.1Å; I11-I170 HydrophobicContact CD1-CG2 3.67Å; A146-I170 HydrophobicContact CB-CG2 4.34Å; E149-I170 HydrophobicContact CB-CB 4.39Å; E149-I170 HydrophobicContact CB-CD1 4.06Å; E149-I170 HydrophobicContact CB-CG1 3.85Å; E149-I170 HydrophobicContact CB-CG2 3.76Å; E149-I170 HydrophobicContact CG-CG2 4.2Å; L150-I170 HydrophobicContact CD2-CD1 3.69Å; L150-I170 HydrophobicContact CG-CD1 4.19Å; L153-I170 HydrophobicContact CD1-CD1 3.77Å; E166-I170 VanDerWaalsContact O-CG1 3.3Å; E166-I170 WeakPolarHBondContact O-CG1 3.47Å; E166-I170 PolarHBondContact O-N 3.36Å; A167-I170 PolarHBondContact O-N 2.95Å; V168-I170 PolarHBondContact O-N 2.93Å; I170-Y172 VanDerWaalsContact C-N 3.33Å; I170-Y172 PolarHBondContact O-N 3.41Å; I170-G173 PolarHBondContact O-N 3.25Å; I170-I174 HydrophobicContact CG2-CG2 4.18Å; I170-I174 WeakPolarHBondContact O-CG1 3.32Å; I170-I174 WeakPolarHBondContact O-CG2 3.22Å; I170-I174 PolarHBondContact O-N 3.04Å
171M94.7Very high89.7Confident3 Ų354.2 Ų54.22%0.01527%0.272CS..Hα-helixtrans-62.3-38.9-177.4-169.265.579.700112.9T9 I11 L22 E24 A167 V168 R169 I174 R175 L185T9-M171 HydrophobicContact CG2-CE 4.26Å; T9-M171 HydrophobicContact CG2-SD 4.24Å; I11-M171 HydrophobicContact CD1-CB 4.39Å; I11-M171 HydrophobicContact CD1-CE 3.86Å; I11-M171 HydrophobicContact CD1-SD 4.42Å; I11-M171 HydrophobicContact CG1-CE 3.96Å; L22-M171 HydrophobicContact CD2-CB 3.73Å; L22-M171 HydrophobicContact CD2-CE 4.04Å; L22-M171 HydrophobicContact CD2-CG 4.24Å; L22-M171 HydrophobicContact CG-CE 4.13Å; E24-M171 HydrophobicContact CB-CE 4.07Å; E24-M171 HydrophobicContact CB-SD 3.99Å; A167-M171 WeakPolarHBondContact O-CB 3.32Å; A167-M171 PolarHBondContact O-N 3.42Å; V168-M171 PolarHBondContact O-N 2.87Å; R169-M171 VanDerWaalsContact C-N 3.34Å; R169-M171 PolarHBondContact O-N 3.22Å; M171-I174 WeakPolarHBondContact O-CG1 3.2Å; M171-I174 HydrophobicContact SD-CD1 4.17Å; M171-R175 WeakPolarHBondContact O-CB 3.43Å; M171-L185 HydrophobicContact CG-CD2 3.71Å
172Y92.3Very high89Confident31 Ų3154.4 Ų54.412%0.12227%0.273CS..Hα-helixtrans-70.7-40173.7-88-85.6000112.1V168 R169 I170 I174 R175 F183 L185 E210 A213 K214V168-Y172 HydrophobicContact CG1-CD2 3.68Å; V168-Y172 HydrophobicContact CG1-CE2 3.77Å; V168-Y172 WeakPolarHBondContact O-CD2 3.32Å; V168-Y172 PolarHBondContact O-N 2.96Å; R169-Y172 PolarHBondContact O-N 3.36Å; I170-Y172 VanDerWaalsContact C-N 3.33Å; I170-Y172 PolarHBondContact O-N 3.41Å; Y172-I174 VanDerWaalsContact C-N 3.35Å; Y172-I174 PolarHBondContact O-N 3.38Å; Y172-R175 PolarHBondContact O-N 2.96Å; Y172-F183 HydrophobicContact CD1-CZ 4.45Å; Y172-F183 HydrophobicContact CE1-CE1 4.44Å; Y172-F183 AromaticContact CE1-CZ 3.8Å; Y172-F183 HydrophobicContact CE1-CZ 3.8Å; Y172-F183 HydrophobicContact CE2-CZ 4.34Å; Y172-F183 AromaticContact CZ-CZ 3.75Å; Y172-L185 HydrophobicContact CD2-CD1 4.45Å; Y172-L185 HydrophobicContact CE2-CD1 3.81Å; Y172-E210 HydrophobicContact CE2-CB 4.35Å; Y172-E210 HydrophobicContact CE2-CG 4.05Å; Y172-A213 HydrophobicContact CD2-CB 3.91Å; Y172-A213 HydrophobicContact CG-CB 4.28Å; Y172-K214 HydrophobicContact CD1-CG 4.25Å; Y172-K214 HydrophobicContact CE1-CD 4.44Å; Y172-K214 HydrophobicContact CE1-CG 3.97Å; Y172-K214 VanDerWaalsContact OH-CE 3.28Å; Y172-K214 WeakPolarHBondContact OH-CE 3.46Å
173G91.1Very high88.5Confident67 Ų6752.2 Ų52.269%0.69126%0.263SS*.Hα-helixtrans-68.6-27.2-179.100000114.8R169 I170R169-G173 PolarHBondContact O-N 3.27Å; I170-G173 PolarHBondContact O-N 3.25Å
174I91.3Very high88.2Confident23 Ų2354.2 Ų54.212%0.11828%0.275CS..THydrogen-bonded Turntrans-92-4.9178.269.1-177.4000113.7T9 I11 N142 A145 A146 I170 M171 Y172T9-I174 HydrophobicContact CG2-CD1 4.02Å; I11-I174 HydrophobicContact CD1-CD1 4.43Å; N142-I174 HydrophobicContact CB-CB 4.44Å; N142-I174 HydrophobicContact CB-CD1 3.89Å; N142-I174 HydrophobicContact CB-CG1 4.17Å; N142-I174 PolarHBondContact ND2-O 3.32Å; A145-I174 HydrophobicContact CB-CB 4.03Å; A145-I174 HydrophobicContact CB-CG2 3.74Å; A146-I174 HydrophobicContact CB-CD1 3.66Å; I170-I174 HydrophobicContact CG2-CG2 4.18Å; I170-I174 WeakPolarHBondContact O-CG1 3.32Å; I170-I174 WeakPolarHBondContact O-CG2 3.22Å; I170-I174 PolarHBondContact O-N 3.04Å; M171-I174 WeakPolarHBondContact O-CG1 3.2Å; M171-I174 HydrophobicContact SD-CD1 4.17Å; Y172-I174 VanDerWaalsContact C-N 3.35Å; Y172-I174 PolarHBondContact O-N 3.38Å
175R85.5Confident88.1Confident39 Ų3954.4 Ų54.415%0.14728%0.276CS..  trans-84136.5-172.2173.4174.1160.4-96.7-0.2110.4M171 Y172 E177 D180 F183M171-R175 WeakPolarHBondContact O-CB 3.43Å; Y172-R175 PolarHBondContact O-N 2.96Å; R175-E177 IonicContact CZ-OE1 2.69Å; R175-E177 IonicContact NH1-OE1 3.34Å; R175-E177 PolarHBondContact NH1-OE1 2.75Å; R175-D180 HydrophobicContact CG-CB 4.21Å; R175-D180 VanDerWaalsContact CZ-O 3.32Å; R175-D180 PolarHBondContact NE-O 2.69Å; R175-D180 PolarHBondContact NH2-O 3.39Å; R175-F183 VanDerWaalsContact NE-CD1 3.3Å
176D82.6Confident88Confident75 Ų7550.9 Ų50.940%0.40126%0.264SS..  trans-91.7109.4166.4-174.8-20000109.7T178 V179 D180D176-T178 PolarHBondContact O-N 2.6Å; D176-T178 VanDerWaalsContact OD1-CB 3.31Å; D176-T178 WeakPolarHBondContact OD1-CB 3.32Å; D176-T178 PolarHBondContact OD1-N 3.26Å; D176-T178 PolarHBondContact OD1-OG1 3.01Å; D176-T178 PolarHBondContact OD2-OG1 3.34Å; D176-V179 HydrophobicContact CB-CB 4.44Å; D176-V179 HydrophobicContact CB-CG2 4.4Å; D176-V179 PolarHBondContact O-N 2.71Å; D176-V179 WeakPolarHBondContact OD2-CG2 3.38Å; D176-D180 WeakPolarHBondContact O-CB 3.39Å; D176-D180 PolarHBondContact O-N 3.26Å
177E79.9Confident88Confident133 Ų13349.8 Ų49.862%0.62126%0.258SS*.THydrogen-bonded Turntrans-64.2-25.2-179.2-53.7-141.6120.400113.6R175R175-E177 IonicContact CZ-OE1 2.69Å; R175-E177 IonicContact NH1-OE1 3.34Å; R175-E177 PolarHBondContact NH1-OE1 2.75Å
178T78.4Confident88.1Confident105 Ų10549.7 Ų49.764%0.64426%0.258SS*.THydrogen-bonded Turntrans-73.1-36-176.572.20000111.5D176 K181D176-T178 PolarHBondContact O-N 2.6Å; D176-T178 VanDerWaalsContact OD1-CB 3.31Å; D176-T178 WeakPolarHBondContact OD1-CB 3.32Å; D176-T178 PolarHBondContact OD1-N 3.26Å; D176-T178 PolarHBondContact OD1-OG1 3.01Å; D176-T178 PolarHBondContact OD2-OG1 3.34Å; T178-K181 WeakPolarHBondContact O-CE 3.23Å
179V77Confident88.1Confident102 Ų10250.2 Ų50.262%0.61826%0.26SS*.THydrogen-bonded Turntrans-87.8-46.2179.9-177.70000110.5D176 K181D176-V179 HydrophobicContact CB-CB 4.44Å; D176-V179 HydrophobicContact CB-CG2 4.4Å; D176-V179 PolarHBondContact O-N 2.71Å; D176-V179 WeakPolarHBondContact OD2-CG2 3.38Å; V179-K181 PolarHBondContact O-N 2.97Å
180D74Confident88.3Confident23 Ų2347.3 Ų47.312%0.12325%0.249CC..  trans-10357.3-167.5-64.6-42.5000112.9K141 R175 D176 Y182K141-D180 WeakPolarHBondContact CE-OD2 3.44Å; K141-D180 IonicContact NZ-OD1 2.67Å; K141-D180 PolarHBondContact NZ-OD1 2.97Å; K141-D180 IonicContact NZ-OD2 2.78Å; K141-D180 PolarHBondContact NZ-OD2 3.41Å; R175-D180 HydrophobicContact CG-CB 4.21Å; R175-D180 VanDerWaalsContact CZ-O 3.32Å; R175-D180 PolarHBondContact NE-O 2.69Å; R175-D180 PolarHBondContact NH2-O 3.39Å; D176-D180 WeakPolarHBondContact O-CB 3.39Å; D176-D180 PolarHBondContact O-N 3.26Å; D180-Y182 VanDerWaalsContact C-N 3.3Å; D180-Y182 PolarHBondContact O-N 2.98Å
181K73.2Confident88.4Confident147 Ų14747.2 Ų47.264%0.63925%0.249SC*.  trans-58.7-35-170.8-65.5-176-179-179.80114.8T178 V179T178-K181 WeakPolarHBondContact O-CE 3.23Å; V179-K181 PolarHBondContact O-N 2.97Å
182Y80.1Confident88.5Confident132 Ų13252.4 Ų52.452%0.51827%0.273SS..SBendtrans-134.1108-176.1-60.4-78.6000110.8I27 K30 D180I27-Y182 PolarHBondContact N-O 2.95Å; K30-Y182 PolarHBondContact NZ-OH 2.91Å; D180-Y182 VanDerWaalsContact C-N 3.3Å; D180-Y182 PolarHBondContact O-N 2.98Å
183F86.4Confident88.6Confident31 Ų3155.4 Ų55.414%0.13629%0.288CS..EExtended strand (participates in β ladder)trans-136.5159.3174.475.4-71.4000110.2E24 K25 Y172 R175 L185E24-F183 HydrophobicContact CG-CB 4.21Å; E24-F183 HydrophobicContact CG-CD2 4Å; E24-F183 HydrophobicContact CG-CG 4.4Å; K25-F183 CarbonylContact O-C 3.55Å; K25-F183 VanDerWaalsContact O-CA 3.25Å; K25-F183 WeakPolarHBondContact O-CA 3.39Å; Y172-F183 HydrophobicContact CD1-CZ 4.45Å; Y172-F183 HydrophobicContact CE1-CE1 4.44Å; Y172-F183 AromaticContact CE1-CZ 3.8Å; Y172-F183 HydrophobicContact CE1-CZ 3.8Å; Y172-F183 HydrophobicContact CE2-CZ 4.34Å; Y172-F183 AromaticContact CZ-CZ 3.75Å; R175-F183 VanDerWaalsContact NE-CD1 3.3Å; F183-L185 HydrophobicContact CD2-CD2 3.95Å; F183-L185 HydrophobicContact CD2-CG 4.28Å; F183-L185 HydrophobicContact CE2-CD1 4.41Å; F183-L185 HydrophobicContact CE2-CD2 3.61Å; F183-L185 HydrophobicContact CE2-CG 3.79Å
184V90.7Very high88.8Confident41 Ų4153 Ų5325%0.24826%0.26CS..EExtended strand (participates in β ladder)trans-123140.6170.2166.80000107.5K25 I27K25-V184 WeakPolarHBondContact CB-O 3.32Å; K25-V184 PolarHBondContact N-O 2.92Å; K25-V184 PolarHBondContact O-N 3.23Å; I27-V184 HydrophobicContact CD1-CB 4.48Å; I27-V184 HydrophobicContact CD1-CG2 3.43Å; I27-V184 VanDerWaalsContact CD1-CG2 3.43Å; I27-V184 HydrophobicContact CG1-CG2 4.05Å
185L94Very high89.1Confident5 Ų558.6 Ų58.63%0.02629%0.29CS..EExtended strand (participates in β ladder)trans-86.3129.5169.4-65.2-179.3000109.7L22 V168 M171 Y172 F183 L206 E210L22-L185 HydrophobicContact CD1-CB 4.06Å; L22-L185 HydrophobicContact CD1-CD1 4.38Å; L22-L185 HydrophobicContact CD1-CD2 4.16Å; L22-L185 HydrophobicContact CD1-CG 4.43Å; L22-L185 HydrophobicContact CG-CD2 4.39Å; V168-L185 HydrophobicContact CG1-CD1 3.88Å; V168-L185 HydrophobicContact CG2-CD1 4.3Å; M171-L185 HydrophobicContact CG-CD2 3.71Å; Y172-L185 HydrophobicContact CD2-CD1 4.45Å; Y172-L185 HydrophobicContact CE2-CD1 3.81Å; F183-L185 HydrophobicContact CD2-CD2 3.95Å; F183-L185 HydrophobicContact CD2-CG 4.28Å; F183-L185 HydrophobicContact CE2-CD1 4.41Å; F183-L185 HydrophobicContact CE2-CD2 3.61Å; F183-L185 HydrophobicContact CE2-CG 3.79Å; L185-L206 HydrophobicContact CB-CD1 4.29Å; L185-L206 HydrophobicContact CB-CD2 4.42Å; L185-L206 WeakPolarHBondContact O-CD2 3.48Å; L185-E210 HydrophobicContact CD1-CG 4.08Å
186E95Very high89.6Confident23 Ų2357 Ų5711%0.10729%0.286CS..EExtended strand (participates in β ladder)trans-106.2131.5164.2-65-174.616800108L22 A23 K25 T38 R39 I40L22-E186 CarbonylContact C-O 3.6Å; L22-E186 WeakPolarHBondContact CA-O 3.37Å; A23-E186 HydrophobicContact CB-CB 4.5Å; A23-E186 PolarHBondContact N-O 2.93Å; A23-E186 PolarHBondContact O-N 2.87Å; K25-E186 WeakPolarHBondContact CE-OE1 3.44Å; K25-E186 IonicContact NZ-OE1 3.51Å; K25-E186 PolarHBondContact NZ-OE1 3.42Å; T38-E186 WeakPolarHBondContact CA-OE1 3.49Å; T38-E186 VanDerWaalsContact CA-OE2 3.28Å; T38-E186 WeakPolarHBondContact CA-OE2 3.4Å; T38-E186 WeakPolarHBondContact CG2-OE1 3.34Å; R39-E186 PolarHBondContact N-OE2 2.9Å; I40-E186 HydrophobicContact CD1-CB 3.97Å; I40-E186 WeakPolarHBondContact CD1-O 3.13Å
187M97.3Very high90.3Very high2 Ų261 Ų611%0.0130%0.296CS..EExtended strand (participates in β ladder)trans-134.9137.4-179.6-167.3-169.4-7300110.5V20 F21 L22 A164 V168 V201 L206V20-M187 HydrophobicContact CG1-CG 3.99Å; V20-M187 HydrophobicContact CG1-SD 4.36Å; F21-M187 VanDerWaalsContact O-CA 3.25Å; F21-M187 WeakPolarHBondContact O-CA 3.5Å; F21-M187 VanDerWaalsContact O-CG 3.29Å; F21-M187 WeakPolarHBondContact O-CG 3.19Å; L22-M187 HydrophobicContact CD1-CB 3.96Å; L22-M187 HydrophobicContact CD1-CE 3.67Å; L22-M187 HydrophobicContact CD1-CG 4.18Å; A164-M187 HydrophobicContact CB-CE 4.45Å; A164-M187 HydrophobicContact CB-SD 3.77Å; A164-M187 WeakPolarHBondContact O-CE 3.41Å; V168-M187 HydrophobicContact CG2-CE 3.18Å; M187-V201 HydrophobicContact CB-CB 4.17Å; M187-V201 HydrophobicContact CB-CG2 4.05Å; M187-V201 HydrophobicContact CG-CB 4.19Å; M187-V201 HydrophobicContact CG-CG2 3.6Å; M187-V201 PolarHBondContact O-N 3.23Å; M187-V201 HydrophobicContact SD-CB 4.05Å; M187-V201 HydrophobicContact SD-CG1 4.03Å; M187-V201 HydrophobicContact SD-CG2 3.66Å; M187-L206 HydrophobicContact CB-CD1 4.15Å; M187-L206 HydrophobicContact CE-CD1 3.5Å; M187-L206 VanDerWaalsContact CE-CD1 3.5Å; M187-L206 HydrophobicContact SD-CD1 4.28Å
188S98Very high91.2Very high0 Ų055 Ų550%027%0.267CS..EExtended strand (participates in β ladder)trans-136.1162.8168.965.60000111V20 F21 I40 H198 M199V20-S188 WeakPolarHBondContact CA-O 3.49Å; F21-S188 PolarHBondContact N-O 3.39Å; F21-S188 PolarHBondContact O-N 2.95Å; I40-S188 WeakPolarHBondContact CG2-OG 3.34Å; S188-H198 WeakPolarHBondContact CB-NE2 3.33Å; S188-H198 PolarHBondContact OG-NE2 2.84Å; S188-M199 VanDerWaalsContact CA-O 3.3Å; S188-M199 WeakPolarHBondContact CA-O 3.1Å; S188-M199 VanDerWaalsContact CB-O 3.23Å; S188-M199 WeakPolarHBondContact CB-O 2.99Å
189W98.2Very high92.1Very high10 Ų1053.9 Ų53.94%0.03826%0.256CS..EExtended strand (participates in β ladder)trans-139.2162170.955.437.8000111.3V19 V20 V160 R161 A164 M199 V201 F205V19-W189 CarbonylContact O-C 3.6Å; V19-W189 WeakPolarHBondContact O-CA 3.43Å; V20-W189 HydrophobicContact CG2-CB 4.39Å; V160-W189 HydrophobicContact CG2-CB 3.99Å; R161-W189 HydrophobicContact CG-CZ3 4.38Å; A164-W189 HydrophobicContact CB-CE3 4.4Å; A164-W189 HydrophobicContact CB-CZ3 4.47Å; W189-M199 PolarHBondContact N-O 3.24Å; W189-M199 PolarHBondContact O-N 3.03Å; W189-V201 HydrophobicContact CB-CG2 4.45Å; W189-V201 HydrophobicContact CD2-CG2 3.52Å; W189-V201 HydrophobicContact CE3-CB 4.44Å; W189-V201 HydrophobicContact CE3-CG1 4.24Å; W189-V201 HydrophobicContact CE3-CG2 3.46Å; W189-V201 VanDerWaalsContact CE3-CG2 3.46Å; W189-V201 HydrophobicContact CG-CG2 3.97Å; W189-V201 HydrophobicContact CH2-CG1 3.85Å; W189-V201 HydrophobicContact CH2-CG2 4.38Å; W189-V201 HydrophobicContact CZ2-CG1 4.33Å; W189-V201 HydrophobicContact CZ2-CG2 4.43Å; W189-V201 HydrophobicContact CZ3-CB 4.46Å; W189-V201 HydrophobicContact CZ3-CG1 3.79Å; W189-V201 HydrophobicContact CZ3-CG2 3.91Å; W189-F205 HydrophobicContact CH2-CD1 4.47Å; W189-F205 HydrophobicContact CH2-CG 4.39Å; W189-F205 HydrophobicContact CZ3-CD1 4.16Å; W189-F205 HydrophobicContact CZ3-CE1 4.04Å; W189-F205 HydrophobicContact CZ3-CG 4.49Å; W189-F205 HydrophobicContact CZ3-CZ 4.25Å
190V98.3Very high93Very high0 Ų053.9 Ų53.90%025%0.251CS..EExtended strand (participates in β ladder)trans-137.4125.6163.259.90000106.6G18 V19 W114 G196 H198G18-V190 CarbonylContact C-O 3.47Å; G18-V190 WeakPolarHBondContact CA-O 3.25Å; V19-V190 HydrophobicContact CB-CG1 4.09Å; V19-V190 PolarHBondContact N-O 2.83Å; V19-V190 PolarHBondContact O-N 3.07Å; W114-V190 HydrophobicContact CB-CG2 3.99Å; V190-G196 WeakPolarHBondContact CG2-O 3.37Å; V190-H198 HydrophobicContact CB-CB 4.28Å
191S97.5Very high94.1Very high0 Ų053.1 Ų53.10%025%0.248CC..EExtended strand (participates in β ladder)trans-155.4176.9-170.965.90000112.6D17 E193 T194 N195 G196D17-S191 CarbonylContact O-C 3.58Å; D17-S191 WeakPolarHBondContact O-CA 3.41Å; D17-S191 VanDerWaalsContact O-CB 3.26Å; D17-S191 WeakPolarHBondContact O-CB 3.49Å; S191-E193 VanDerWaalsContact C-N 3.28Å; S191-E193 PolarHBondContact O-N 2.85Å; S191-E193 PolarHBondContact OG-N 2.98Å; S191-T194 PolarHBondContact N-OG1 3.19Å; S191-T194 VanDerWaalsContact N-OG1 3.07Å; S191-T194 PolarHBondContact O-N 3.24Å; S191-T194 PolarHBondContact O-OG1 3.1Å; S191-T194 VanDerWaalsContact O-OG1 3.09Å; S191-T194 PolarHBondContact OG-N 3.3Å; S191-N195 PolarHBondContact O-N 3.22Å; S191-G196 PolarHBondContact O-N 3.13Å
192E97.2Very high95.1Very high111 Ų11149.2 Ų49.252%0.51924%0.238SC..THydrogen-bonded Turntrans-56.1-43.3168-173.6163.3-156.500111.8D17 W114 T194 N195D17-E192 HydrophobicContact CB-CB 4.32Å; D17-E192 PolarHBondContact O-N 3.35Å; W114-E192 HydrophobicContact CD2-CB 4.45Å; W114-E192 HydrophobicContact CH2-CB 3.74Å; W114-E192 HydrophobicContact CH2-CG 3.65Å; W114-E192 VanDerWaalsContact CZ2-CA 3.45Å; W114-E192 HydrophobicContact CZ2-CB 3.3Å; W114-E192 HydrophobicContact CZ2-CG 3.54Å; W114-E192 HydrophobicContact CZ3-CB 4.46Å; E192-T194 PolarHBondContact O-N 3.35Å; E192-N195 PolarHBondContact O-N 2.73Å
193E95.1Very high95.7Very high94 Ų9447 Ų4744%0.43924%0.241SC..THydrogen-bonded Turntrans-58.4-35178.2-172.9-173.516000112.2R161 S191 N195R161-E193 IonicContact CZ-OE1 2.79Å; R161-E193 IonicContact CZ-OE2 3.58Å; R161-E193 IonicContact NE-OE1 3.52Å; R161-E193 IonicContact NE-OE2 2.74Å; R161-E193 PolarHBondContact NE-OE2 3.34Å; R161-E193 IonicContact NH2-OE1 3.76Å; R161-E193 PolarHBondContact NH2-OE1 3.02Å; R161-E193 IonicContact NH2-OE2 2.66Å; R161-E193 PolarHBondContact NH2-OE2 3.34Å; S191-E193 VanDerWaalsContact C-N 3.28Å; S191-E193 PolarHBondContact O-N 2.85Å; S191-E193 PolarHBondContact OG-N 2.98Å; E193-N195 VanDerWaalsContact C-N 3.26Å; E193-N195 PolarHBondContact O-N 3.37Å
194T95.9Very high96.1Very high17 Ų1749 Ų4910%0.10426%0.263CS..THydrogen-bonded Turntrans-88.18.6178.969.40000113.3S191 E192 G196 R197 M199S191-T194 PolarHBondContact N-OG1 3.19Å; S191-T194 VanDerWaalsContact N-OG1 3.07Å; S191-T194 PolarHBondContact O-N 3.24Å; S191-T194 PolarHBondContact O-OG1 3.1Å; S191-T194 VanDerWaalsContact O-OG1 3.09Å; S191-T194 PolarHBondContact OG-N 3.3Å; E192-T194 PolarHBondContact O-N 3.35Å; T194-G196 PolarHBondContact O-N 3.16Å; T194-R197 WeakPolarHBondContact CB-O 3.34Å; T194-R197 VanDerWaalsContact O-CB 3.28Å; T194-R197 WeakPolarHBondContact O-CB 3.34Å; T194-R197 PolarHBondContact O-N 2.83Å; T194-R197 PolarHBondContact OG1-N 3.31Å; T194-R197 PolarHBondContact OG1-O 3.32Å; T194-M199 HydrophobicContact CG2-CG 3.89Å; T194-M199 HydrophobicContact CG2-SD 3.46Å; T194-M199 WeakPolarHBondContact CG2-SD 3.36Å
195N96.3Very high96.3Very high140 Ų14048.3 Ų48.375%0.74926%0.257SS*.THydrogen-bonded Turntrans50.438.7-171.3-67.5-60.1000112.1S191 E192 E193 R197S191-N195 PolarHBondContact O-N 3.22Å; E192-N195 PolarHBondContact O-N 2.73Å; E193-N195 VanDerWaalsContact C-N 3.26Å; E193-N195 PolarHBondContact O-N 3.37Å; N195-R197 PolarHBondContact O-N 3.13Å
196G96.7Very high96.4Very high7 Ų749.2 Ų49.27%0.07226%0.262CS..THydrogen-bonded Turntrans74.45.6-178.300000115.1H46 W114 V190 S191 T194H46-G196 WeakPolarHBondContact CA-O 3.4Å; H46-G196 WeakPolarHBondContact CB-O 3.39Å; W114-G196 WeakPolarHBondContact O-CA 3.16Å; V190-G196 WeakPolarHBondContact CG2-O 3.37Å; S191-G196 PolarHBondContact O-N 3.13Å; T194-G196 PolarHBondContact O-N 3.16Å
197R97.8Very high96.3Very high158 Ų15854 Ų5460%0.59628%0.282SS*.  trans-81.1125.9174.2-169.9178.3-179.5171.92.9110.4E45 T194 N195 M199E45-R197 CarbonylContact O-C 3.55Å; E45-R197 VanDerWaalsContact O-CA 3.29Å; E45-R197 WeakPolarHBondContact O-CA 3.36Å; E45-R197 WeakPolarHBondContact O-CG 3.42Å; T194-R197 WeakPolarHBondContact CB-O 3.34Å; T194-R197 VanDerWaalsContact O-CB 3.28Å; T194-R197 WeakPolarHBondContact O-CB 3.34Å; T194-R197 PolarHBondContact O-N 2.83Å; T194-R197 PolarHBondContact OG1-N 3.31Å; T194-R197 PolarHBondContact OG1-O 3.32Å; N195-R197 PolarHBondContact O-N 3.13Å; R197-M199 PolarHBondContact O-N 2.9Å
198H98.3Very high96.3Very high6 Ų658.2 Ų58.23%0.02830%0.302CS..  trans-71128.4171.3177.8-105.9000110.1S41 S42 E45 G48 S188 V190S41-H198 PolarHBondContact O-CE1 3.06Å; S42-H198 PolarHBondContact OG-ND1 3.28Å; E45-H198 PolarHBondContact O-N 3.18Å; G48-H198 WeakPolarHBondContact CA-CD2 3.4Å; G48-H198 WeakPolarHBondContact CA-NE2 3.44Å; S188-H198 WeakPolarHBondContact CB-NE2 3.33Å; S188-H198 PolarHBondContact OG-NE2 2.84Å; V190-H198 HydrophobicContact CB-CB 4.28Å
199M97.2Very high96.2Very high82 Ų8258.2 Ų58.240%0.40430%0.302SS..EExtended strand (participates in β ladder)trans-145.1152.2178.870.7-173.8-50.800112.5S188 W189 T194 R197S188-M199 VanDerWaalsContact CA-O 3.3Å; S188-M199 WeakPolarHBondContact CA-O 3.1Å; S188-M199 VanDerWaalsContact CB-O 3.23Å; S188-M199 WeakPolarHBondContact CB-O 2.99Å; W189-M199 PolarHBondContact N-O 3.24Å; W189-M199 PolarHBondContact O-N 3.03Å; T194-M199 HydrophobicContact CG2-CG 3.89Å; T194-M199 HydrophobicContact CG2-SD 3.46Å; T194-M199 WeakPolarHBondContact CG2-SD 3.36Å; R197-M199 PolarHBondContact O-N 2.9Å
200I96.6Very high96Very high102 Ų10259.7 Ų59.752%0.52331%0.309SS..EExtended strand (participates in β ladder)trans-66.4136.3168.9-57.5-55.4000108.8I40I40-I200 HydrophobicContact CG2-CD1 3.88Å
201V95.6Very high95.8Very high7 Ų765.2 Ų65.24%0.04234%0.336CS..PPolyproline II helixtrans-64.2136.3178.6176.20000109.9M187 W189 S203 F205M187-V201 HydrophobicContact CB-CB 4.17Å; M187-V201 HydrophobicContact CB-CG2 4.05Å; M187-V201 HydrophobicContact CG-CB 4.19Å; M187-V201 HydrophobicContact CG-CG2 3.6Å; M187-V201 PolarHBondContact O-N 3.23Å; M187-V201 HydrophobicContact SD-CB 4.05Å; M187-V201 HydrophobicContact SD-CG1 4.03Å; M187-V201 HydrophobicContact SD-CG2 3.66Å; W189-V201 HydrophobicContact CB-CG2 4.45Å; W189-V201 HydrophobicContact CD2-CG2 3.52Å; W189-V201 HydrophobicContact CE3-CB 4.44Å; W189-V201 HydrophobicContact CE3-CG1 4.24Å; W189-V201 HydrophobicContact CE3-CG2 3.46Å; W189-V201 VanDerWaalsContact CE3-CG2 3.46Å; W189-V201 HydrophobicContact CG-CG2 3.97Å; W189-V201 HydrophobicContact CH2-CG1 3.85Å; W189-V201 HydrophobicContact CH2-CG2 4.38Å; W189-V201 HydrophobicContact CZ2-CG1 4.33Å; W189-V201 HydrophobicContact CZ2-CG2 4.43Å; W189-V201 HydrophobicContact CZ3-CB 4.46Å; W189-V201 HydrophobicContact CZ3-CG1 3.79Å; W189-V201 HydrophobicContact CZ3-CG2 3.91Å; V201-S203 PolarHBondContact O-N 3.08Å; V201-F205 HydrophobicContact CG1-CB 4.01Å; V201-F205 HydrophobicContact CG1-CD1 3.49Å; V201-F205 VanDerWaalsContact CG1-CD1 3.49Å; V201-F205 HydrophobicContact CG1-CE1 4.33Å; V201-F205 HydrophobicContact CG1-CG 4.05Å
202P94.6Very high95.6Very high66 Ų6668.7 Ų68.743%0.42935%0.35SS..PPolyproline II helixtrans-53.6134.5176.5-27.535.4000112.2A204 F205 L206P202-A204 PolarHBondContact O-N 3.24Å; P202-A204 VanDerWaalsContact O-N 3.11Å; P202-F205 WeakPolarHBondContact O-CB 3.2Å; P202-F205 PolarHBondContact O-N 3.01Å; P202-L206 PolarHBondContact O-N 3.18Å; P202-L206 VanDerWaalsContact O-N 3.16Å
203S92.1Very high95.4Very high85 Ų8563.5 Ų63.559%0.59433%0.326SS*.Hα-helixtrans-59.9-28-175.9610000113.7V201 K207V201-S203 PolarHBondContact O-N 3.08Å; S203-K207 WeakPolarHBondContact O-CB 3.43Å; S203-K207 VanDerWaalsContact O-CG 3.27Å; S203-K207 WeakPolarHBondContact O-CG 3.5Å; S203-K207 PolarHBondContact O-N 3.36Å
204A95.2Very high95.2Very high73 Ų7363.5 Ų63.560%0.60332%0.324SS*.Hα-helixtrans-63.1-46.1174.200000111.8P202 K207 E208P202-A204 PolarHBondContact O-N 3.24Å; P202-A204 VanDerWaalsContact O-N 3.11Å; A204-K207 PolarHBondContact O-N 2.96Å; A204-E208 PolarHBondContact O-N 3.32Å
205F96.1Very high95Very high27 Ų2769.1 Ų69.112%0.11834%0.344CS..Hα-helixtrans-64.9-44.3177.6-178.5-83.4000111.1R161 A164 R165 W189 V201 P202 K207 E208 A209R161-F205 HydrophobicContact CB-CE2 4.39Å; R161-F205 HydrophobicContact CB-CZ 4.31Å; R161-F205 HydrophobicContact CG-CE2 4.49Å; A164-F205 HydrophobicContact CB-CE1 3.66Å; A164-F205 HydrophobicContact CB-CZ 4.05Å; R165-F205 HydrophobicContact CG-CZ 4.02Å; W189-F205 HydrophobicContact CH2-CD1 4.47Å; W189-F205 HydrophobicContact CH2-CG 4.39Å; W189-F205 HydrophobicContact CZ3-CD1 4.16Å; W189-F205 HydrophobicContact CZ3-CE1 4.04Å; W189-F205 HydrophobicContact CZ3-CG 4.49Å; W189-F205 HydrophobicContact CZ3-CZ 4.25Å; V201-F205 HydrophobicContact CG1-CB 4.01Å; V201-F205 HydrophobicContact CG1-CD1 3.49Å; V201-F205 VanDerWaalsContact CG1-CD1 3.49Å; V201-F205 HydrophobicContact CG1-CE1 4.33Å; V201-F205 HydrophobicContact CG1-CG 4.05Å; P202-F205 WeakPolarHBondContact O-CB 3.2Å; P202-F205 PolarHBondContact O-N 3.01Å; F205-K207 PolarHBondContact O-N 2.97Å; F205-E208 WeakPolarHBondContact O-CB 3.34Å; F205-E208 PolarHBondContact O-N 2.94Å; F205-A209 PolarHBondContact O-N 3.4Å
206L94.6Very high94.7Very high23 Ų2365 Ų6512%0.1232%0.321CS..Hα-helixtrans-60.3-45.1178.7-177.260.5000111.5V168 L185 M187 P202 E208 A209 E210V168-L206 HydrophobicContact CG2-CD1 4.23Å; L185-L206 HydrophobicContact CB-CD1 4.29Å; L185-L206 HydrophobicContact CB-CD2 4.42Å; L185-L206 WeakPolarHBondContact O-CD2 3.48Å; M187-L206 HydrophobicContact CB-CD1 4.15Å; M187-L206 HydrophobicContact CE-CD1 3.5Å; M187-L206 VanDerWaalsContact CE-CD1 3.5Å; M187-L206 HydrophobicContact SD-CD1 4.28Å; P202-L206 PolarHBondContact O-N 3.18Å; P202-L206 VanDerWaalsContact O-N 3.16Å; L206-E208 VanDerWaalsContact C-N 3.35Å; L206-E208 PolarHBondContact O-N 3.25Å; L206-A209 PolarHBondContact O-N 2.83Å; L206-E210 WeakPolarHBondContact O-CG 3.42Å; L206-E210 PolarHBondContact O-N 3.35Å
207K94.5Very high94.1Very high123 Ų12366.4 Ų66.454%0.53533%0.332SS..Hα-helixtrans-62.2-40.2176.5-74.7177.1-177.9-176.20112.8S203 A204 F205 E210 M211S203-K207 WeakPolarHBondContact O-CB 3.43Å; S203-K207 VanDerWaalsContact O-CG 3.27Å; S203-K207 WeakPolarHBondContact O-CG 3.5Å; S203-K207 PolarHBondContact O-N 3.36Å; A204-K207 PolarHBondContact O-N 2.96Å; F205-K207 PolarHBondContact O-N 2.97Å; K207-E210 PolarHBondContact O-N 2.97Å; K207-M211 HydrophobicContact CB-CE 4Å; K207-M211 WeakPolarHBondContact O-CB 3.35Å; K207-M211 WeakPolarHBondContact O-CE 3.43Å; K207-M211 WeakPolarHBondContact O-CG 3.46Å; K207-M211 PolarHBondContact O-N 3.1Å
208E95.9Very high93.4Very high91 Ų9164.6 Ų64.643%0.42533%0.33SS..Hα-helixtrans-61.8-45.9175.5-172.1-164.9143.200111.1R165 A204 F205 L206 E210 M211 W212R165-E208 IonicContact CZ-OE1 2.8Å; R165-E208 IonicContact NH2-OE1 3.07Å; R165-E208 PolarHBondContact NH2-OE1 3.49Å; A204-E208 PolarHBondContact O-N 3.32Å; F205-E208 WeakPolarHBondContact O-CB 3.34Å; F205-E208 PolarHBondContact O-N 2.94Å; L206-E208 VanDerWaalsContact C-N 3.35Å; L206-E208 PolarHBondContact O-N 3.25Å; E208-E210 PolarHBondContact O-N 2.99Å; E208-M211 PolarHBondContact O-N 3.44Å; E208-W212 WeakPolarHBondContact O-CB 3.37Å; E208-W212 PolarHBondContact O-N 3.3Å
209A96Very high92.7Very high0 Ų069.9 Ų69.90%036%0.355CS..Hα-helixtrans-62.8-40.6176.500000112.1R165 V168 F205 L206 W212 A213R165-A209 HydrophobicContact CG-CB 4.22Å; V168-A209 HydrophobicContact CB-CB 4.26Å; V168-A209 HydrophobicContact CG1-CB 4.48Å; V168-A209 HydrophobicContact CG2-CB 3.94Å; F205-A209 PolarHBondContact O-N 3.4Å; L206-A209 PolarHBondContact O-N 2.83Å; A209-W212 PolarHBondContact O-N 2.74Å; A209-A213 WeakPolarHBondContact O-CB 3.13Å; A209-A213 PolarHBondContact O-N 3.07Å
210E94.3Very high91.7Very high42 Ų4268.6 Ų68.620%0.19635%0.354CS..Hα-helixtrans-62.4-44.6174-72.7-178.7177.500112.1V168 Y172 L185 L206 K207 E208 W212 A213 K214V168-E210 HydrophobicContact CG1-CG 4.16Å; Y172-E210 HydrophobicContact CE2-CB 4.35Å; Y172-E210 HydrophobicContact CE2-CG 4.05Å; L185-E210 HydrophobicContact CD1-CG 4.08Å; L206-E210 WeakPolarHBondContact O-CG 3.42Å; L206-E210 PolarHBondContact O-N 3.35Å; K207-E210 PolarHBondContact O-N 2.97Å; E208-E210 PolarHBondContact O-N 2.99Å; E210-W212 VanDerWaalsContact C-N 3.31Å; E210-W212 PolarHBondContact O-N 2.78Å; E210-A213 PolarHBondContact O-N 3.26Å; E210-K214 WeakPolarHBondContact O-CB 3.31Å; E210-K214 VanDerWaalsContact O-CG 3.31Å; E210-K214 WeakPolarHBondContact O-CG 3.44Å; E210-K214 PolarHBondContact O-N 3.18Å
211M94Very high90.6Very high115 Ų11569.3 Ų69.357%0.56736%0.359SS*.Hα-helixtrans-64.5-36.3177.1-76.2-176.7-101.300112.2K207 E208 R215K207-M211 HydrophobicContact CB-CE 4Å; K207-M211 WeakPolarHBondContact O-CB 3.35Å; K207-M211 WeakPolarHBondContact O-CE 3.43Å; K207-M211 WeakPolarHBondContact O-CG 3.46Å; K207-M211 PolarHBondContact O-N 3.1Å; E208-M211 PolarHBondContact O-N 3.44Å; M211-R215 WeakPolarHBondContact O-CG 3.34Å; M211-R215 PolarHBondContact O-N 3.05Å; M211-R215 PolarHBondContact O-NE 3.38Å
212W94.2Very high89.5Confident74 Ų7476.9 Ų76.928%0.2839%0.394SS..Hα-helixtrans-67.9-47.1174.2176.573.5000112.1R165 R169 E208 A209 E210 K214 R215 L216R165-W212 HydrophobicContact CB-CE3 4.17Å; R165-W212 HydrophobicContact CB-CZ3 3.92Å; R165-W212 WeakPolarHBondContact O-CZ3 3.29Å; R169-W212 HydrophobicContact CB-CH2 4.32Å; R169-W212 HydrophobicContact CB-CZ3 3.78Å; R169-W212 HydrophobicContact CG-CZ3 4.42Å; E208-W212 WeakPolarHBondContact O-CB 3.37Å; E208-W212 PolarHBondContact O-N 3.3Å; A209-W212 PolarHBondContact O-N 2.74Å; E210-W212 VanDerWaalsContact C-N 3.31Å; E210-W212 PolarHBondContact O-N 2.78Å; W212-K214 VanDerWaalsContact C-N 3.34Å; W212-K214 PolarHBondContact O-N 3.49Å; W212-R215 PolarHBondContact O-N 2.73Å; W212-L216 HydrophobicContact CD2-CD1 4.02Å; W212-L216 HydrophobicContact CE3-CD1 4.25Å; W212-L216 HydrophobicContact CH2-CD1 3.69Å; W212-L216 HydrophobicContact CZ2-CD1 3.4Å; W212-L216 HydrophobicContact CZ2-CG 4.5Å; W212-L216 HydrophobicContact CZ3-CD1 4.1Å; W212-L216 PolarHBondContact O-N 3.01Å; W212-L216 VanDerWaalsContact O-N 3.16Å
213A93.1Very high88.2Confident2 Ų278.3 Ų78.32%0.01741%0.405CS..Hα-helixtrans-61.6-39.8178.600000112.9V168 Y172 A209 E210 L216 A217V168-A213 HydrophobicContact CG1-CB 3.79Å; Y172-A213 HydrophobicContact CD2-CB 3.91Å; Y172-A213 HydrophobicContact CG-CB 4.28Å; A209-A213 WeakPolarHBondContact O-CB 3.13Å; A209-A213 PolarHBondContact O-N 3.07Å; E210-A213 PolarHBondContact O-N 3.26Å; A213-L216 PolarHBondContact O-N 2.65Å; A213-A217 PolarHBondContact O-N 3.16Å; A213-A217 VanDerWaalsContact O-N 3.09Å
214K90.2Very high86.1Confident94 Ų9485 Ų8541%0.40943%0.427SS..Hα-helixtrans-64.7-37.5176.2-73.5173.8-176173.70113.1Y172 E210 W212 A217 Q218Y172-K214 HydrophobicContact CD1-CG 4.25Å; Y172-K214 HydrophobicContact CE1-CD 4.44Å; Y172-K214 HydrophobicContact CE1-CG 3.97Å; Y172-K214 VanDerWaalsContact OH-CE 3.28Å; Y172-K214 WeakPolarHBondContact OH-CE 3.46Å; E210-K214 WeakPolarHBondContact O-CB 3.31Å; E210-K214 VanDerWaalsContact O-CG 3.31Å; E210-K214 WeakPolarHBondContact O-CG 3.44Å; E210-K214 PolarHBondContact O-N 3.18Å; W212-K214 VanDerWaalsContact C-N 3.34Å; W212-K214 PolarHBondContact O-N 3.49Å; K214-A217 PolarHBondContact O-N 3.42Å; K214-Q218 WeakPolarHBondContact O-CG 3.42Å; K214-Q218 PolarHBondContact O-N 2.82Å; K214-Q218 VanDerWaalsContact O-N 3.11Å
215R91.6Very high85.7Confident135 Ų13585.7 Ų85.751%0.50942%0.419SS..Hα-helixtrans-64.3-44.5175.9-77.3-178-71.3160.8-2.7111.4M211 W212 A217 Q218 E219M211-R215 WeakPolarHBondContact O-CG 3.34Å; M211-R215 PolarHBondContact O-N 3.05Å; M211-R215 PolarHBondContact O-NE 3.38Å; W212-R215 PolarHBondContact O-N 2.73Å; R215-A217 VanDerWaalsContact C-N 3.31Å; R215-A217 PolarHBondContact O-N 3.49Å; R215-Q218 PolarHBondContact O-N 3.46Å; R215-E219 WeakPolarHBondContact O-CG 3.36Å; R215-E219 PolarHBondContact O-N 3.04Å
216L90Very high85.1Confident54 Ų5488.7 Ų88.728%0.28343%0.434SS..Hα-helixtrans-62-38.5176.7-71.5177.8000112.9R169 W212 A213 Q218 E219 S220R169-L216 HydrophobicContact CG-CD1 4.06Å; W212-L216 HydrophobicContact CD2-CD1 4.02Å; W212-L216 HydrophobicContact CE3-CD1 4.25Å; W212-L216 HydrophobicContact CH2-CD1 3.69Å; W212-L216 HydrophobicContact CZ2-CD1 3.4Å; W212-L216 HydrophobicContact CZ2-CG 4.5Å; W212-L216 HydrophobicContact CZ3-CD1 4.1Å; W212-L216 PolarHBondContact O-N 3.01Å; W212-L216 VanDerWaalsContact O-N 3.16Å; A213-L216 PolarHBondContact O-N 2.65Å; L216-Q218 VanDerWaalsContact C-N 3.34Å; L216-E219 PolarHBondContact O-N 2.88Å; L216-S220 PolarHBondContact O-N 3.16Å; L216-S220 VanDerWaalsContact O-N 3.08Å; L216-S220 PolarHBondContact O-OG 3.36Å
217A84.4Confident84.6Confident35 Ų3592.4 Ų92.429%0.28945%0.452SS..Hα-helixtrans-65.3-37.8175.600000112.3A213 K214 R215 S220 D221A213-A217 PolarHBondContact O-N 3.16Å; A213-A217 VanDerWaalsContact O-N 3.09Å; K214-A217 PolarHBondContact O-N 3.42Å; R215-A217 VanDerWaalsContact C-N 3.31Å; R215-A217 PolarHBondContact O-N 3.49Å; A217-S220 WeakPolarHBondContact CA-OG 3.31Å; A217-S220 PolarHBondContact O-N 3.24Å; A217-S220 PolarHBondContact O-OG 3.28Å; A217-D221 VanDerWaalsContact O-CG 3.26Å; A217-D221 PolarHBondContact O-N 3.2Å
218Q82.3Confident84Confident120 Ų12090.6 Ų90.656%0.56145%0.447SS*.Hα-helixtrans-67.8-40.8175.5-71.2172.2-17.900112K214 R215 L216 S220 D221 E222K214-Q218 WeakPolarHBondContact O-CG 3.42Å; K214-Q218 PolarHBondContact O-N 2.82Å; K214-Q218 VanDerWaalsContact O-N 3.11Å; R215-Q218 PolarHBondContact O-N 3.46Å; L216-Q218 VanDerWaalsContact C-N 3.34Å; Q218-S220 VanDerWaalsContact C-N 3.33Å; Q218-S220 PolarHBondContact O-N 2.84Å; Q218-D221 PolarHBondContact O-N 2.56Å; Q218-E222 WeakPolarHBondContact O-CG 3.31Å; Q218-E222 PolarHBondContact O-N 3.36Å; Q218-E222 VanDerWaalsContact O-N 3.07Å
219E84.1Confident83.3Confident118 Ų11890.6 Ų90.655%0.55145%0.448SS*.Hα-helixtrans-64.9-34.8177.4-72.2170-170.700112.4R215 L216 S223R215-E219 WeakPolarHBondContact O-CG 3.36Å; R215-E219 PolarHBondContact O-N 3.04Å; L216-E219 PolarHBondContact O-N 2.88Å; E219-S223 PolarHBondContact O-N 3.27Å; E219-S223 PolarHBondContact O-OG 2.97Å
220S77.3Confident82.4Confident55 Ų5596.6 Ų96.639%0.38548%0.478SS..Hα-helixtrans-68.3-42.117452.20000112.2L216 A217 Q218 E222 S223L216-S220 PolarHBondContact O-N 3.16Å; L216-S220 VanDerWaalsContact O-N 3.08Å; L216-S220 PolarHBondContact O-OG 3.36Å; A217-S220 WeakPolarHBondContact CA-OG 3.31Å; A217-S220 PolarHBondContact O-N 3.24Å; A217-S220 PolarHBondContact O-OG 3.28Å; Q218-S220 VanDerWaalsContact C-N 3.33Å; Q218-S220 PolarHBondContact O-N 2.84Å; S220-E222 VanDerWaalsContact C-N 3.31Å; S220-E222 PolarHBondContact O-N 3.25Å; S220-S223 PolarHBondContact O-N 3.37Å; S220-S223 VanDerWaalsContact O-N 3.16Å; S220-S223 PolarHBondContact O-OG 3.01Å
221D73.6Confident81.6Confident116 Ų116100.5 Ų100.562%0.6250%0.498SS*.Hα-helixtrans-68-30.2-179.4-68-7000112.4A217 Q218 S223A217-D221 VanDerWaalsContact O-CG 3.26Å; A217-D221 PolarHBondContact O-N 3.2Å; Q218-D221 PolarHBondContact O-N 2.56Å; D221-S223 VanDerWaalsContact C-N 3.3Å
222E71.6Confident80.6Confident167 Ų16799.4 Ų99.478%0.7849%0.493SS*.THydrogen-bonded Turntrans-77.1-15.6175.2-73.1-178.5-178.200113.5Q218 S220Q218-E222 WeakPolarHBondContact O-CG 3.31Å; Q218-E222 PolarHBondContact O-N 3.36Å; Q218-E222 VanDerWaalsContact O-N 3.07Å; S220-E222 VanDerWaalsContact C-N 3.31Å; S220-E222 PolarHBondContact O-N 3.25Å
223S67.2Low79.5Confident96 Ų96101.5 Ų101.567%0.67151%0.511SS*.THydrogen-bonded Turntrans-95.2-5.3-177.769.50000114.6E219 S220 D221E219-S223 PolarHBondContact O-N 3.27Å; E219-S223 PolarHBondContact O-OG 2.97Å; S220-S223 PolarHBondContact O-N 3.37Å; S220-S223 VanDerWaalsContact O-N 3.16Å; S220-S223 PolarHBondContact O-OG 3.01Å; D221-S223 VanDerWaalsContact C-N 3.3Å
224E48.9Very low78.3Confident226 Ų226110.5 Ų110.5100%1.05656%0.556SS**  trans-99.50174.1-67-169.5166.600112.5

Retrieved 224 of 224 residues in 176.3 ms (Link to these results)

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