A0A087WQH5_MOUSE Loading...

Family with sequence similarity 135, member A

AlphaFold DB , UniProt , Accession A0A087WQH5, Species MOUSE (Mus musculus, Mouse), Gene Fam135a, Length 851 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
1M67.3Low93.1Very high146 Ų14624.8 Ų24.872%0.71912%0.121SC*.  0166.40-73.869.4163.500108D96M1-D96 WeakPolarHBondContact CB-OD2 3.43Å; M1-D96 WeakPolarHBondContact CG-OD2 3.41Å
2T86.2Confident93.5Very high8 Ų822.8 Ų22.85%0.04911%0.111CC..  trans-73.5141.8167.4-590000108.4E97 V210 H236 F240T2-E97 WeakPolarHBondContact CB-OE2 3.14Å; T2-E97 PolarHBondContact O-N 2.94Å; T2-V210 HydrophobicContact CG2-CB 4.48Å; T2-V210 HydrophobicContact CG2-CG1 3.85Å; T2-V210 VanDerWaalsContact CG2-O 3.31Å; T2-V210 WeakPolarHBondContact CG2-O 3.46Å; T2-H236 PolarHBondContact OG1-CE1 3.36Å; T2-H236 PolarHBondContact OG1-NE2 3.47Å; T2-F240 HydrophobicContact CG2-CD2 4.2Å; T2-F240 HydrophobicContact CG2-CE2 4.01Å
3E91.9Very high93.8Very high66 Ų6621.2 Ų21.231%0.30810%0.103SC..EExtended strand (participates in β ladder)trans-118.3138.7179.7-68.9168.9127.300110.6L94 L95 P178 R184E3-L94 HydrophobicContact CB-CD1 3.77Å; E3-L94 HydrophobicContact CB-CD2 4.38Å; E3-L94 HydrophobicContact CB-CG 3.9Å; E3-L94 HydrophobicContact CG-CG 4.44Å; E3-L95 CarbonylContact C-O 3.53Å; E3-L95 WeakPolarHBondContact CA-O 3.25Å; E3-P178 WeakPolarHBondContact O-CD 3.31Å; E3-P178 VanDerWaalsContact O-CG 3.3Å; E3-P178 WeakPolarHBondContact O-CG 3.37Å; E3-R184 IonicContact OE1-CZ 2.6Å; E3-R184 IonicContact OE1-NH1 3.14Å; E3-R184 PolarHBondContact OE1-NH1 3.15Å; E3-R184 IonicContact OE1-NH2 2.86Å; E3-R184 PolarHBondContact OE1-NH2 3.25Å; E3-R184 IonicContact OE2-CZ 2.72Å; E3-R184 IonicContact OE2-NH1 2.64Å; E3-R184 PolarHBondContact OE2-NH1 3.43Å; E3-R184 IonicContact OE2-NH2 2.72Å; E3-R184 PolarHBondContact OE2-NH2 3.1Å
4V94.8Very high94Very high0 Ų019.7 Ų19.70%010%0.096CC..EExtended strand (participates in β ladder)trans-118.7148.1-177.3-65.30000110.8L94 L95 I100 L175 F240 L244V4-L94 WeakPolarHBondContact O-CA 3.27Å; V4-L95 HydrophobicContact CG2-CB 4.28Å; V4-L95 PolarHBondContact N-O 2.9Å; V4-L95 PolarHBondContact O-N 2.92Å; V4-I100 HydrophobicContact CG2-CD1 3.88Å; V4-I100 HydrophobicContact CG2-CG1 4.04Å; V4-L175 HydrophobicContact CB-CD1 4.48Å; V4-L175 HydrophobicContact CG2-CD1 4.02Å; V4-F240 HydrophobicContact CG1-CD2 4.49Å; V4-F240 HydrophobicContact CG1-CE2 3.55Å; V4-F240 HydrophobicContact CG1-CZ 4.12Å; V4-L244 HydrophobicContact CG1-CD1 3.95Å; V4-L244 HydrophobicContact CG1-CD2 4.13Å; V4-L244 HydrophobicContact CG2-CD2 4.35Å
5Q95.9Very high94.1Very high7 Ų718.5 Ų18.53%0.0339%0.09CC..EExtended strand (participates in β ladder)trans-91113.4173.1174177.2-27.400109.4M93 L175 H176 F182Q5-M93 WeakPolarHBondContact CA-O 3.43Å; Q5-L175 WeakPolarHBondContact O-CA 3.33Å; Q5-H176 PolarHBondContact N-O 2.91Å; Q5-H176 PolarHBondContact O-N 2.89Å; Q5-F182 HydrophobicContact CG-CE2 4.4Å; Q5-F182 HydrophobicContact CG-CZ 4.06Å
6A97.1Very high94.2Very high0 Ų020.1 Ų20.10%010%0.097CC..EExtended strand (participates in β ladder)trans-95.6151.1166.600000110.2K92 M93 L95 L172 A174 L175A6-K92 WeakPolarHBondContact O-CA 3.49Å; A6-M93 HydrophobicContact CB-CG 3.91Å; A6-M93 PolarHBondContact N-O 3.22Å; A6-M93 PolarHBondContact O-N 2.73Å; A6-L95 HydrophobicContact CB-CD1 3.71Å; A6-L95 HydrophobicContact CB-CG 4.32Å; A6-L172 HydrophobicContact CB-CD1 4.29Å; A6-A174 CarbonylContact C-O 3.56Å; A6-A174 WeakPolarHBondContact CA-O 2.95Å; A6-L175 HydrophobicContact CB-CD1 3.88Å
7M97.8Very high94.3Very high27 Ų2718.9 Ų18.913%0.1339%0.091CC..EExtended strand (participates in β ladder)trans-131.6116169.6-166.4-179.8-29.700109.6K90 V91 K92 V173 A174M7-K90 HydrophobicContact SD-CB 4.44Å; M7-V91 WeakPolarHBondContact CA-O 3.23Å; M7-K92 HydrophobicContact CB-CG 4.47Å; M7-K92 HydrophobicContact CE-CD 4.29Å; M7-K92 HydrophobicContact CE-CG 4.13Å; M7-K92 HydrophobicContact CG-CG 3.84Å; M7-K92 HydrophobicContact SD-CG 4.07Å; M7-V173 HydrophobicContact CB-CG2 4.02Å; M7-V173 HydrophobicContact CG-CG2 3.86Å; M7-V173 WeakPolarHBondContact O-CG2 3.32Å; M7-V173 PolarHBondContact O-N 2.68Å; M7-V173 HydrophobicContact SD-CG2 4.09Å; M7-A174 HydrophobicContact CB-CB 4.07Å; M7-A174 HydrophobicContact CE-CB 4.3Å; M7-A174 PolarHBondContact N-O 3.48Å; M7-A174 PolarHBondContact O-N 2.96Å
8V98.2Very high94.5Very high0 Ų021.9 Ų21.90%010%0.102CC..EExtended strand (participates in β ladder)trans-103.2134.1169.5-175.20000107.7F10 V91 M93 L104 F109 Y142 S171 L172V8-F10 HydrophobicContact CB-CE2 4.02Å; V8-F10 HydrophobicContact CG1-CD2 4.11Å; V8-F10 HydrophobicContact CG1-CE2 3.46Å; V8-F10 VanDerWaalsContact CG1-CE2 3.46Å; V8-F10 HydrophobicContact CG1-CZ 3.82Å; V8-V91 PolarHBondContact N-O 3.09Å; V8-V91 PolarHBondContact O-N 3.34Å; V8-M93 HydrophobicContact CG2-CE 4.09Å; V8-L104 HydrophobicContact CG2-CD2 3.71Å; V8-F109 HydrophobicContact CG2-CZ 4.45Å; V8-Y142 HydrophobicContact CG1-CD2 4.19Å; V8-Y142 HydrophobicContact CG1-CE2 3.82Å; V8-Y142 HydrophobicContact CG2-CE1 4.36Å; V8-S171 WeakPolarHBondContact CA-O 3.45Å; V8-L172 HydrophobicContact CG2-CD1 4.33Å
9E98.1Very high94.6Very high19 Ų1921 Ų219%0.08910%0.098CC..EExtended strand (participates in β ladder)trans-113.5130.5179.1-173.5159.5146.800110.1I88 K90 A170 S171 V173 W344E9-I88 HydrophobicContact CG-CG2 3.76Å; E9-I88 WeakPolarHBondContact OE1-CG2 3.09Å; E9-K90 HydrophobicContact CG-CG 4.14Å; E9-K90 IonicContact OE1-NZ 3.02Å; E9-K90 PolarHBondContact OE1-NZ 2.95Å; E9-K90 IonicContact OE2-NZ 2.77Å; E9-K90 PolarHBondContact OE2-NZ 3.39Å; E9-A170 WeakPolarHBondContact O-CA 3.22Å; E9-A170 WeakPolarHBondContact O-CB 3.26Å; E9-S171 PolarHBondContact N-O 3.02Å; E9-S171 PolarHBondContact O-N 2.72Å; E9-S171 VanDerWaalsContact O-N 3.11Å; E9-V173 HydrophobicContact CB-CG1 3.8Å; E9-V173 HydrophobicContact CB-CG2 3.96Å; E9-W344 HydrophobicContact CB-CZ2 4.43Å; E9-W344 VanDerWaalsContact CD-NE1 3.3Å; E9-W344 HydrophobicContact CG-CZ2 4.29Å; E9-W344 PolarHBondContact OE1-NE1 3.03Å; E9-W344 VanDerWaalsContact OE1-NE1 3.15Å
10F98.5Very high94.5Very high0 Ų023.4 Ų23.40%011%0.113CC..EExtended strand (participates in β ladder)trans-114.7118.6178.1-63.7-104.9000109.2V8 V12 M34 I88 F89 V91 F109 L140 V168 H169 A170V8-F10 HydrophobicContact CB-CE2 4.02Å; V8-F10 HydrophobicContact CG1-CD2 4.11Å; V8-F10 HydrophobicContact CG1-CE2 3.46Å; V8-F10 VanDerWaalsContact CG1-CE2 3.46Å; V8-F10 HydrophobicContact CG1-CZ 3.82Å; F10-V12 HydrophobicContact CB-CG2 4.42Å; F10-M34 HydrophobicContact CB-CE 3.98Å; F10-M34 HydrophobicContact CD1-CE 3.83Å; F10-M34 HydrophobicContact CD2-CE 4.09Å; F10-M34 HydrophobicContact CE1-CE 4.37Å; F10-M34 HydrophobicContact CG-CE 3.71Å; F10-I88 CarbonylContact O-C 3.59Å; F10-I88 WeakPolarHBondContact O-CA 3.34Å; F10-F89 HydrophobicContact CB-CB 4.37Å; F10-F89 PolarHBondContact N-O 3.03Å; F10-F89 PolarHBondContact O-N 2.88Å; F10-V91 HydrophobicContact CD2-CG2 3.94Å; F10-V91 HydrophobicContact CE2-CB 4.49Å; F10-V91 HydrophobicContact CE2-CG2 3.88Å; F10-F109 HydrophobicContact CE1-CB 4.36Å; F10-F109 HydrophobicContact CE1-CD1 4.46Å; F10-F109 HydrophobicContact CE1-CG 4.27Å; F10-F109 AromaticContact CE2-CD1 3.69Å; F10-F109 HydrophobicContact CE2-CD1 3.69Å; F10-F109 AromaticContact CE2-CE1 3.77Å; F10-F109 HydrophobicContact CE2-CE1 3.77Å; F10-F109 HydrophobicContact CE2-CG 4.29Å; F10-F109 HydrophobicContact CE2-CZ 4.44Å; F10-F109 HydrophobicContact CZ-CB 4.06Å; F10-F109 AromaticContact CZ-CD1 3.41Å; F10-F109 HydrophobicContact CZ-CD1 3.41Å; F10-F109 VanDerWaalsContact CZ-CD1 3.41Å; F10-F109 AromaticContact CZ-CD2 3.94Å; F10-F109 HydrophobicContact CZ-CD2 3.94Å; F10-F109 AromaticContact CZ-CE1 3.71Å; F10-F109 HydrophobicContact CZ-CE1 3.71Å; F10-F109 HydrophobicContact CZ-CE2 4.22Å; F10-F109 AromaticContact CZ-CG 3.53Å; F10-F109 HydrophobicContact CZ-CG 3.53Å; F10-F109 HydrophobicContact CZ-CZ 4.1Å; F10-L140 HydrophobicContact CD1-CD1 3.78Å; F10-L140 HydrophobicContact CE1-CB 4.41Å; F10-L140 HydrophobicContact CE1-CD1 3.81Å; F10-V168 HydrophobicContact CD1-CG1 4.25Å; F10-H169 CarbonylContact C-O 3.58Å; F10-H169 WeakPolarHBondContact CA-O 3.41Å; F10-A170 HydrophobicContact CB-CB 4.32Å; F10-A170 HydrophobicContact CD1-CB 3.36Å; F10-A170 HydrophobicContact CD2-CB 4.42Å; F10-A170 HydrophobicContact CE1-CB 3.62Å; F10-A170 HydrophobicContact CG-CB 3.78Å; F10-A170 HydrophobicContact CZ-CB 4.25Å
11S98.2Very high94.4Very high0 Ų024.1 Ų24.10%012%0.118CC..EExtended strand (participates in β ladder)trans-88.4119.2160.5-172.30000108.9V86 I88 V168 H169S11-V86 WeakPolarHBondContact OG-CG1 3.32Å; S11-I88 WeakPolarHBondContact OG-CD1 3.37Å; S11-V168 WeakPolarHBondContact O-CA 3.44Å; S11-H169 PolarHBondContact N-O 3.39Å; S11-H169 PolarHBondContact O-N 2.85Å
12V98.3Very high95.6Very high0 Ų017.7 Ų17.70%09%0.087CC..EExtended strand (participates in β ladder)trans-116.1113.1179.2177.40000108.2F10 M87 F89 L111 V166 V168F10-V12 HydrophobicContact CB-CG2 4.42Å; V12-M87 HydrophobicContact CB-CB 4.35Å; V12-M87 PolarHBondContact N-O 2.95Å; V12-M87 WeakPolarHBondContact O-CB 3.46Å; V12-M87 PolarHBondContact O-N 2.62Å; V12-F89 HydrophobicContact CB-CD2 4.46Å; V12-F89 HydrophobicContact CB-CE2 4.28Å; V12-F89 HydrophobicContact CG2-CD2 3.95Å; V12-F89 HydrophobicContact CG2-CE2 4.13Å; V12-L111 HydrophobicContact CB-CD2 4.48Å; V12-L111 HydrophobicContact CG1-CD2 3.67Å; V12-L111 HydrophobicContact CG2-CD2 3.92Å; V12-V166 HydrophobicContact CG1-CG1 4.06Å; V12-V168 HydrophobicContact CG2-CG1 4.39Å; V12-V168 HydrophobicContact CG2-CG2 4.38Å
13E97.3Very high95.6Very high3 Ų325.5 Ų25.51%0.01412%0.12CC..EExtended strand (participates in β ladder)trans-105.7112.2-173.1-46.7-166.5172.500110.1N15 V86 V166 T167 T352 L353E13-N15 PolarHBondContact O-N 2.88Å; E13-V86 HydrophobicContact CB-CG2 4.45Å; E13-V86 HydrophobicContact CG-CG1 4.21Å; E13-V86 HydrophobicContact CG-CG2 4.16Å; E13-V166 WeakPolarHBondContact O-CA 3.38Å; E13-T167 PolarHBondContact N-O 3.01Å; E13-T167 PolarHBondContact O-N 3.03Å; E13-T352 WeakPolarHBondContact OE1-CA 3.32Å; E13-T352 WeakPolarHBondContact OE1-CB 3.47Å; E13-T352 VanDerWaalsContact OE1-CG2 3.3Å; E13-T352 WeakPolarHBondContact OE1-CG2 3.32Å; E13-T352 PolarHBondContact OE1-OG1 3.2Å; E13-L353 HydrophobicContact CB-CD2 4.32Å; E13-L353 WeakPolarHBondContact OE2-CA 3.22Å; E13-L353 PolarHBondContact OE2-N 2.93Å
14L97Very high95.4Very high0 Ų027.1 Ų27.10%013%0.128CC..EExtended strand (participates in β ladder)trans-8897167.8-53.7-170.7000107.4I30 L83 N84 D85 M87 V164 V166L14-I30 HydrophobicContact CD1-CB 3.98Å; L14-I30 HydrophobicContact CD1-CD1 4.37Å; L14-I30 HydrophobicContact CD1-CG2 3.78Å; L14-L83 HydrophobicContact CB-CB 4.49Å; L14-L83 HydrophobicContact CB-CD1 4.05Å; L14-L83 WeakPolarHBondContact O-CB 3.31Å; L14-N84 WeakPolarHBondContact O-CA 3.32Å; L14-N84 PolarHBondContact O-N 3.28Å; L14-D85 HydrophobicContact CB-CB 4.5Å; L14-D85 PolarHBondContact N-O 2.93Å; L14-D85 PolarHBondContact O-N 3.28Å; L14-M87 HydrophobicContact CD1-CE 3.46Å; L14-M87 VanDerWaalsContact CD1-CE 3.46Å; L14-M87 HydrophobicContact CD1-SD 4.21Å; L14-M87 HydrophobicContact CG-CE 3.97Å; L14-M87 HydrophobicContact CG-SD 4.37Å; L14-V164 HydrophobicContact CB-CG2 4.39Å; L14-V164 HydrophobicContact CD2-CG2 4.07Å; L14-V166 HydrophobicContact CD2-CG1 4.28Å; L14-V166 HydrophobicContact CD2-CG2 3.93Å
15N95Very high95.2Very high2 Ų235.1 Ų35.11%0.01116%0.158CC..EExtended strand (participates in β ladder)trans-80.6-54.6-174.3-40.8101.8000111E13 L83 N84 S165 T167 L353 R358E13-N15 PolarHBondContact O-N 2.88Å; N15-L83 PolarHBondContact O-N 3.26Å; N15-N84 WeakPolarHBondContact CA-OD1 3.29Å; N15-N84 PolarHBondContact O-N 2.97Å; N15-N84 PolarHBondContact O-OD1 2.69Å; N15-N84 VanDerWaalsContact O-OD1 3.14Å; N15-S165 WeakPolarHBondContact CB-OG 3.37Å; N15-S165 PolarHBondContact N-O 3.19Å; N15-S165 PolarHBondContact OD1-O 3.2Å; N15-S165 PolarHBondContact OD1-OG 2.94Å; N15-T167 PolarHBondContact OD1-OG1 3.49Å; N15-L353 WeakPolarHBondContact ND2-CD2 3.38Å; N15-R358 VanDerWaalsContact OD1-CD 3.3Å; N15-R358 WeakPolarHBondContact OD1-CD 3.3Å
16K94.9Very high95.1Very high44 Ų4435.2 Ų35.219%0.19116%0.16CC..EExtended strand (participates in β ladder)trans-140.2148.1-173-66.8-177.2170.8-159.50111.6Y18 E80 V81 V82 V164 S165K16-Y18 HydrophobicContact CB-CE2 4.01Å; K16-Y18 HydrophobicContact CD-CE1 4.27Å; K16-Y18 VanDerWaalsContact CD-OH 3.27Å; K16-Y18 WeakPolarHBondContact CD-OH 3.38Å; K16-E80 VanDerWaalsContact CD-OE1 3.27Å; K16-E80 WeakPolarHBondContact CD-OE1 3.42Å; K16-E80 WeakPolarHBondContact CE-OE1 3.3Å; K16-E80 IonicContact NZ-OE1 3.17Å; K16-E80 PolarHBondContact NZ-OE1 3.31Å; K16-E80 IonicContact NZ-OE2 3.91Å; K16-V81 CarbonylContact C-O 3.31Å; K16-V81 WeakPolarHBondContact CA-O 3.42Å; K16-V82 HydrophobicContact CG-CG2 4.49Å; K16-V164 WeakPolarHBondContact O-CA 3.33Å; K16-S165 PolarHBondContact O-N 2.75Å
17F97.3Very high94.8Very high0 Ų037.2 Ų37.20%017%0.169CC..EExtended strand (participates in β ladder)trans-117.1132168-178.2-96.9000109.5N19 L22 I30 F72 I74 V81 L83 L115 F156 S162 V163 V164F17-N19 HydrophobicContact CE1-CB 4.33Å; F17-L22 HydrophobicContact CE1-CD1 3.95Å; F17-L22 HydrophobicContact CZ-CD1 3.94Å; F17-I30 HydrophobicContact CD2-CD1 3.86Å; F17-I30 HydrophobicContact CE2-CD1 4.36Å; F17-F72 HydrophobicContact CB-CE2 4.48Å; F17-F72 HydrophobicContact CB-CZ 4.24Å; F17-F72 HydrophobicContact CD1-CD2 4.33Å; F17-F72 AromaticContact CD1-CE2 3.36Å; F17-F72 HydrophobicContact CD1-CE2 3.36Å; F17-F72 AromaticContact CD1-CZ 3.68Å; F17-F72 HydrophobicContact CD1-CZ 3.68Å; F17-F72 HydrophobicContact CD2-CZ 4.02Å; F17-F72 AromaticContact CE1-CE2 3.52Å; F17-F72 HydrophobicContact CE1-CE2 3.52Å; F17-F72 AromaticContact CE1-CZ 3.91Å; F17-F72 HydrophobicContact CE1-CZ 3.91Å; F17-F72 HydrophobicContact CE2-CZ 4.21Å; F17-F72 AromaticContact CG-CE2 3.89Å; F17-F72 HydrophobicContact CG-CE2 3.89Å; F17-F72 AromaticContact CG-CZ 3.71Å; F17-F72 HydrophobicContact CG-CZ 3.71Å; F17-F72 HydrophobicContact CZ-CE2 4.15Å; F17-F72 HydrophobicContact CZ-CZ 4.13Å; F17-I74 HydrophobicContact CD1-CD1 4.27Å; F17-I74 HydrophobicContact CE1-CD1 4.18Å; F17-I74 HydrophobicContact CE1-CG1 4.38Å; F17-V81 HydrophobicContact CB-CB 4.43Å; F17-V81 PolarHBondContact N-O 2.6Å; F17-V81 PolarHBondContact O-N 2.77Å; F17-L83 HydrophobicContact CB-CD1 4.09Å; F17-L83 HydrophobicContact CB-CG 4.36Å; F17-L115 HydrophobicContact CE2-CD1 3.91Å; F17-L115 HydrophobicContact CZ-CD1 4.04Å; F17-L115 HydrophobicContact CZ-CD2 4.43Å; F17-F156 HydrophobicContact CE2-CD2 4.16Å; F17-F156 AromaticContact CE2-CE2 3.98Å; F17-F156 HydrophobicContact CE2-CE2 3.98Å; F17-S162 VanDerWaalsContact CZ-CB 3.47Å; F17-V163 WeakPolarHBondContact CA-O 3.36Å; F17-V164 HydrophobicContact CD2-CB 4.24Å
18Y96.9Very high94.7Very high73 Ų7336 Ų3629%0.28616%0.163SC..EExtended strand (participates in β ladder)trans-115.3112.8178.3-52.8-87.4000108.6K16 E80 S162 V163K16-Y18 HydrophobicContact CB-CE2 4.01Å; K16-Y18 HydrophobicContact CD-CE1 4.27Å; K16-Y18 VanDerWaalsContact CD-OH 3.27Å; K16-Y18 WeakPolarHBondContact CD-OH 3.38Å; Y18-E80 HydrophobicContact CD1-CB 4.2Å; Y18-E80 HydrophobicContact CD1-CG 3.75Å; Y18-E80 HydrophobicContact CE1-CG 3.73Å; Y18-E80 WeakPolarHBondContact CE1-OE2 3.24Å; Y18-S162 CarbonylContact O-C 3.5Å; Y18-S162 VanDerWaalsContact O-CA 3.27Å; Y18-S162 WeakPolarHBondContact O-CA 3.34Å; Y18-V163 HydrophobicContact CD2-CB 4.42Å; Y18-V163 PolarHBondContact N-O 2.97Å; Y18-V163 PolarHBondContact O-N 3.45Å
19N95.9Very high94.5Very high4 Ų436.1 Ų36.12%0.02116%0.164CC..EExtended strand (participates in β ladder)trans-79.6114.8166.2176.729.2000109.3F17 D21 L22 I74 Y76 N78 E79F17-N19 HydrophobicContact CE1-CB 4.33Å; N19-D21 PolarHBondContact OD1-N 3.07Å; N19-L22 HydrophobicContact CB-CD1 4.2Å; N19-L22 VanDerWaalsContact OD1-CB 3.22Å; N19-L22 WeakPolarHBondContact OD1-CB 3.19Å; N19-L22 WeakPolarHBondContact OD1-CD1 3.5Å; N19-L22 WeakPolarHBondContact OD1-CG 3.38Å; N19-L22 PolarHBondContact OD1-N 3.43Å; N19-I74 HydrophobicContact CB-CD1 4.11Å; N19-I74 HydrophobicContact CB-CG2 4.13Å; N19-I74 WeakPolarHBondContact ND2-CG2 3.45Å; N19-Y76 PolarHBondContact ND2-O 3.31Å; N19-N78 CarbonylContact O-C 3.51Å; N19-N78 WeakPolarHBondContact O-CA 3.31Å; N19-N78 PolarHBondContact O-N 3.45Å; N19-E79 HydrophobicContact CB-CB 4.29Å; N19-E79 PolarHBondContact N-O 3.13Å; N19-E79 PolarHBondContact O-N 3.17Å; N19-E79 VanDerWaalsContact O-N 3.12Å
20V93.4Very high94.5Very high68 Ų6835.2 Ų35.241%0.41216%0.159SC..EExtended strand (participates in β ladder)trans-84.8-62.2170.4-173.20000108.6N78 L161V20-N78 PolarHBondContact O-N 2.86Å; V20-N78 PolarHBondContact O-OD1 2.95Å; V20-L161 WeakPolarHBondContact CA-O 3.27Å; V20-L161 HydrophobicContact CB-CB 4.26Å; V20-L161 WeakPolarHBondContact CB-O 3.16Å; V20-L161 PolarHBondContact N-O 3.15Å
21D92.6Very high94.4Very high40 Ų4036.2 Ų36.221%0.21416%0.163CC..EExtended strand (participates in β ladder)trans-153.564.9-179.9-160.1-4.6000113.1N19 F23 K77 L161N19-D21 PolarHBondContact OD1-N 3.07Å; D21-F23 PolarHBondContact O-N 3.35Å; D21-K77 HydrophobicContact CB-CD 4.5Å; D21-K77 VanDerWaalsContact OD1-CD 3.23Å; D21-K77 WeakPolarHBondContact OD1-CD 3.46Å; D21-K77 WeakPolarHBondContact OD1-CE 3.39Å; D21-K77 IonicContact OD1-NZ 2.69Å; D21-K77 PolarHBondContact OD1-NZ 2.93Å; D21-K77 IonicContact OD2-NZ 2.83Å; D21-K77 PolarHBondContact OD2-NZ 3.05Å; D21-L161 HydrophobicContact CB-CB 4.2Å; D21-L161 HydrophobicContact CB-CD1 4.13Å; D21-L161 PolarHBondContact N-O 2.66Å
22L92.7Very high94.4Very high11 Ų1136.2 Ų36.26%0.05816%0.163CC..EExtended strand (participates in β ladder)trans-68.3122.2165.3-72.5165.3000110.1F17 N19 Q24 Y28 I74 L115 H160F17-L22 HydrophobicContact CE1-CD1 3.95Å; F17-L22 HydrophobicContact CZ-CD1 3.94Å; N19-L22 HydrophobicContact CB-CD1 4.2Å; N19-L22 VanDerWaalsContact OD1-CB 3.22Å; N19-L22 WeakPolarHBondContact OD1-CB 3.19Å; N19-L22 WeakPolarHBondContact OD1-CD1 3.5Å; N19-L22 WeakPolarHBondContact OD1-CG 3.38Å; N19-L22 PolarHBondContact OD1-N 3.43Å; L22-Q24 PolarHBondContact O-N 2.87Å; L22-Y28 HydrophobicContact CD1-CD1 4.38Å; L22-Y28 HydrophobicContact CD1-CE1 3.85Å; L22-Y28 HydrophobicContact CD1-CE2 4.2Å; L22-Y28 HydrophobicContact CD2-CE1 4.08Å; L22-I74 HydrophobicContact CD1-CG1 4.42Å; L22-I74 HydrophobicContact CD1-CG2 4.42Å; L22-L115 HydrophobicContact CD2-CD2 4.31Å; L22-H160 HydrophobicContact CD2-CB 4.04Å
23F84.8Confident94.3Very high171 Ų17137.4 Ų37.475%0.7517%0.171SC*.SBendtrans-64.1-21.5-179.3-90.5-93000115.1D21D21-F23 PolarHBondContact O-N 3.35Å
24Q88.6Confident94.4Very high101 Ų10137.7 Ų37.747%0.47217%0.173SC..  trans-115.3141.3-170-63177.9-3.500110.3L22 Y28 F117L22-Q24 PolarHBondContact O-N 2.87Å; Q24-Y28 PolarHBondContact O-OH 3.13Å; Q24-F117 HydrophobicContact CB-CE1 4.01Å; Q24-F117 HydrophobicContact CB-CE2 4.05Å; Q24-F117 HydrophobicContact CB-CZ 3.65Å; Q24-F117 VanDerWaalsContact OE1-CD1 3.22Å
25R91.5Very high94.3Very high168 Ų16842.6 Ų42.663%0.63419%0.194SC*.  trans-101.2139.4173.5-71.6175163.5161.1-6.9108.5I74 L75 F117R25-I74 WeakPolarHBondContact CA-O 3.23Å; R25-L75 PolarHBondContact NE-O 3.27Å; R25-L75 PolarHBondContact NH2-O 3.07Å; R25-F117 WeakPolarHBondContact O-CZ 3.32Å
26G91.9Very high94.3Very high8 Ų843.2 Ų43.28%0.08220%0.198CC..EExtended strand (participates in β ladder)trans152.8-155.4-177.100000111.7Q73 I74G26-Q73 WeakPolarHBondContact O-CA 3.36Å; G26-Q73 WeakPolarHBondContact O-CG 3.32Å; G26-I74 PolarHBondContact N-O 3.25Å; G26-I74 PolarHBondContact O-N 3.05Å
27F92.8Very high94.1Very high42 Ų4242.7 Ų42.718%0.18420%0.198CC..EExtended strand (participates in β ladder)trans-100135.6-176.7-65.5-75.1000111.6A57 T71 F72 Q73 F117 T118F27-A57 HydrophobicContact CD1-CB 4.24Å; F27-A57 HydrophobicContact CE1-CB 3.9Å; F27-T71 HydrophobicContact CB-CG2 3.94Å; F27-T71 HydrophobicContact CD1-CG2 4.38Å; F27-F72 CarbonylContact C-O 3.54Å; F27-F72 WeakPolarHBondContact CA-O 3.35Å; F27-Q73 HydrophobicContact CD1-CB 3.94Å; F27-Q73 HydrophobicContact CD1-CG 4.07Å; F27-Q73 HydrophobicContact CE1-CB 3.78Å; F27-Q73 HydrophobicContact CE1-CG 3.83Å; F27-Q73 HydrophobicContact CZ-CG 4.27Å; F27-F117 CarbonylContact O-C 3.53Å; F27-F117 WeakPolarHBondContact O-CA 3.21Å; F27-F117 WeakPolarHBondContact O-CD2 3.46Å; F27-T118 HydrophobicContact CB-CG2 4.02Å; F27-T118 PolarHBondContact N-O 2.76Å; F27-T118 PolarHBondContact O-N 2.97Å
28Y94.5Very high93.5Very high2 Ų246.3 Ų46.31%0.00823%0.229CC..EExtended strand (participates in β ladder)trans-124.1146.4-177.3-74-91.1000110.6L22 Q24 T71 F72 I74 L115 H116 F117 I133L22-Y28 HydrophobicContact CD1-CD1 4.38Å; L22-Y28 HydrophobicContact CD1-CE1 3.85Å; L22-Y28 HydrophobicContact CD1-CE2 4.2Å; L22-Y28 HydrophobicContact CD2-CE1 4.08Å; Q24-Y28 PolarHBondContact O-OH 3.13Å; Y28-T71 WeakPolarHBondContact O-CA 3.2Å; Y28-T71 WeakPolarHBondContact O-CG2 3.39Å; Y28-F72 VanDerWaalsContact CB-CE2 3.41Å; Y28-F72 HydrophobicContact CG-CE2 4.26Å; Y28-F72 PolarHBondContact N-O 2.89Å; Y28-F72 WeakPolarHBondContact O-CD1 3.11Å; Y28-F72 PolarHBondContact O-N 2.52Å; Y28-I74 HydrophobicContact CD2-CB 3.77Å; Y28-I74 HydrophobicContact CD2-CG1 3.6Å; Y28-I74 HydrophobicContact CE2-CB 3.75Å; Y28-I74 HydrophobicContact CE2-CG1 4.01Å; Y28-I74 HydrophobicContact CE2-CG2 4.45Å; Y28-I74 HydrophobicContact CG-CG1 4.32Å; Y28-L115 HydrophobicContact CD1-CD1 3.97Å; Y28-L115 HydrophobicContact CD1-CD2 4.32Å; Y28-L115 HydrophobicContact CD1-CG 4.14Å; Y28-L115 HydrophobicContact CE1-CD2 4.41Å; Y28-H116 VanDerWaalsContact CA-O 3.3Å; Y28-H116 WeakPolarHBondContact CA-O 3.29Å; Y28-F117 HydrophobicContact CD1-CB 4.12Å; Y28-F117 AromaticContact CD1-CD2 3.96Å; Y28-F117 HydrophobicContact CD1-CD2 3.96Å; Y28-F117 AromaticContact CD2-CD2 3.88Å; Y28-F117 HydrophobicContact CD2-CD2 3.88Å; Y28-F117 HydrophobicContact CD2-CE2 4.31Å; Y28-F117 HydrophobicContact CE1-CB 3.91Å; Y28-F117 AromaticContact CE1-CD2 3.52Å; Y28-F117 HydrophobicContact CE1-CD2 3.52Å; Y28-F117 HydrophobicContact CE1-CE2 4.42Å; Y28-F117 HydrophobicContact CE1-CG 4.04Å; Y28-F117 AromaticContact CE2-CD2 3.43Å; Y28-F117 HydrophobicContact CE2-CD2 3.43Å; Y28-F117 VanDerWaalsContact CE2-CD2 3.43Å; Y28-F117 AromaticContact CE2-CE2 3.63Å; Y28-F117 HydrophobicContact CE2-CE2 3.63Å; Y28-F117 HydrophobicContact CG-CD2 4.13Å; Y28-F117 AromaticContact CZ-CD2 3.22Å; Y28-F117 AromaticContact CZ-CE2 3.69Å; Y28-I133 HydrophobicContact CD1-CD1 4.29Å; Y28-I133 HydrophobicContact CE1-CD1 3.68Å
29Q94.7Very high93.1Very high2 Ų249.7 Ų49.71%0.00924%0.241CC..EExtended strand (participates in β ladder)trans-145.5137.7177.2-173.3178.97600109.6R31 C68 T71 H116 L130Q29-R31 HydrophobicContact CG-CG 4.44Å; Q29-C68 HydrophobicContact CG-CB 4.31Å; Q29-T71 PolarHBondContact NE2-OG1 3.37Å; Q29-H116 PolarHBondContact N-O 3.21Å; Q29-H116 PolarHBondContact O-N 3.47Å; Q29-L130 HydrophobicContact CB-CD2 3.92Å
30I97.1Very high92.9Very high0 Ų050.1 Ų50.10%024%0.243CC..EExtended strand (participates in β ladder)trans-98.4127.6172.4-57.9177.1000107.8L14 F17 S69 F72 L83 G114 L115 F156 V164L14-I30 HydrophobicContact CD1-CB 3.98Å; L14-I30 HydrophobicContact CD1-CD1 4.37Å; L14-I30 HydrophobicContact CD1-CG2 3.78Å; F17-I30 HydrophobicContact CD2-CD1 3.86Å; F17-I30 HydrophobicContact CE2-CD1 4.36Å; I30-S69 PolarHBondContact N-OG 3.2Å; I30-S69 WeakPolarHBondContact O-CB 3.33Å; I30-S69 PolarHBondContact O-N 3.42Å; I30-S69 PolarHBondContact O-OG 2.87Å; I30-F72 HydrophobicContact CG1-CE1 4.4Å; I30-L83 HydrophobicContact CD1-CD1 3.99Å; I30-G114 WeakPolarHBondContact CA-O 3.49Å; I30-L115 HydrophobicContact CG1-CD1 4.14Å; I30-F156 HydrophobicContact CD1-CE2 4.29Å; I30-F156 HydrophobicContact CD1-CZ 4.39Å; I30-F156 HydrophobicContact CG1-CZ 4.43Å; I30-F156 HydrophobicContact CG2-CZ 4.44Å; I30-V164 HydrophobicContact CD1-CB 3.8Å; I30-V164 HydrophobicContact CD1-CG1 4.23Å; I30-V164 HydrophobicContact CD1-CG2 3.64Å
31R96.8Very high92.8Very high21 Ų2147.6 Ų47.68%0.07923%0.228CC..EExtended strand (participates in β ladder)trans-111.8124.2175-54.9-170.5-178.6158-8.5110.1Q29 L66 V67 C68 L113 G114 H116 L127Q29-R31 HydrophobicContact CG-CG 4.44Å; R31-L66 HydrophobicContact CB-CD1 4.09Å; R31-V67 CarbonylContact C-O 3.47Å; R31-V67 WeakPolarHBondContact CA-O 3.43Å; R31-C68 HydrophobicContact CG-CB 4.45Å; R31-L113 WeakPolarHBondContact O-CA 3.44Å; R31-G114 PolarHBondContact N-O 3.45Å; R31-G114 PolarHBondContact O-N 3.16Å; R31-H116 PolarHBondContact NH1-CD2 3.46Å; R31-H116 VanDerWaalsContact NH1-CD2 3.31Å; R31-L127 VanDerWaalsContact CZ-O 3.3Å; R31-L127 PolarHBondContact NH1-O 3.11Å; R31-L127 PolarHBondContact NH2-O 2.87Å
32A98Very high92.9Very high0 Ų047.8 Ų47.80%023%0.228CC..EExtended strand (participates in β ladder)trans-109.1137.1-177.900000110.9V67 M87 F89 L111 S112 L113A32-V67 PolarHBondContact N-O 3.02Å; A32-V67 PolarHBondContact O-N 3.27Å; A32-M87 HydrophobicContact CB-SD 3.59Å; A32-M87 VanDerWaalsContact CB-SD 3.59Å; A32-F89 HydrophobicContact CB-CE2 4.37Å; A32-F89 HydrophobicContact CB-CZ 3.94Å; A32-L111 HydrophobicContact CB-CD1 4.27Å; A32-S112 WeakPolarHBondContact CA-O 3.28Å; A32-L113 HydrophobicContact CB-CD2 3.67Å
33S97.5Very high92.9Very high25 Ų2553.3 Ų53.318%0.17525%0.248CC..EExtended strand (participates in β ladder)trans-144.7139.5173.854.40000110.9S112S33-S112 PolarHBondContact N-O 2.91Å; S33-S112 PolarHBondContact O-N 2.94Å
34M97.6Very high93.5Very high9 Ų946.1 Ų46.14%0.04422%0.218CC..EExtended strand (participates in β ladder)trans-98.1129.3177.4-173.267.17400110.2F10 I36 V44 F89 V91 F109 L111 L140F10-M34 HydrophobicContact CB-CE 3.98Å; F10-M34 HydrophobicContact CD1-CE 3.83Å; F10-M34 HydrophobicContact CD2-CE 4.09Å; F10-M34 HydrophobicContact CE1-CE 4.37Å; F10-M34 HydrophobicContact CG-CE 3.71Å; M34-I36 HydrophobicContact CG-CD1 3.79Å; M34-V44 HydrophobicContact CB-CG1 4.29Å; M34-F89 HydrophobicContact CB-CB 4.13Å; M34-F89 HydrophobicContact CB-CD1 3.76Å; M34-F89 HydrophobicContact CB-CE1 4.32Å; M34-F89 HydrophobicContact CB-CG 3.93Å; M34-F89 HydrophobicContact CE-CB 4.39Å; M34-F89 HydrophobicContact CE-CD2 4.46Å; M34-V91 HydrophobicContact CG-CG2 4.07Å; M34-F109 HydrophobicContact SD-CB 4.3Å; M34-L111 HydrophobicContact CE-CB 4.37Å; M34-L111 HydrophobicContact SD-CB 4.41Å; M34-L140 HydrophobicContact CE-CD1 3.72Å; M34-L140 HydrophobicContact SD-CD1 4.25Å
35K95.3Very high93.8Very high104 Ų10443.9 Ų43.945%0.45221%0.207SC..EExtended strand (participates in β ladder)trans-123.4130.6-177.6-64.3166.2-174.7165.50110.2L110 S112K35-L110 HydrophobicContact CB-CB 4.18Å; K35-L110 PolarHBondContact N-O 3.5Å; K35-L110 PolarHBondContact O-N 3.02Å; K35-S112 PolarHBondContact NZ-OG 3.41Å
36I94.8Very high94.1Very high15 Ų1536.8 Ų36.88%0.07718%0.184CC..  trans-113.8144.2179.8-71.263.6000107.9M34 A38 H42 V44 V91 F109M34-I36 HydrophobicContact CG-CD1 3.79Å; I36-A38 PolarHBondContact O-N 3.07Å; I36-H42 HydrophobicContact CG2-CB 4.3Å; I36-H42 PolarHBondContact O-CE1 3.46Å; I36-V44 HydrophobicContact CD1-CG2 3.69Å; I36-V91 HydrophobicContact CD1-CG1 3.69Å; I36-V91 HydrophobicContact CD1-CG2 4Å; I36-V91 HydrophobicContact CG1-CG1 3.62Å; I36-F109 HydrophobicContact CG1-CD1 4.23Å; I36-F109 HydrophobicContact CG1-CE1 4.5Å
37P90.9Very high94.3Very high32 Ų3238.4 Ų38.421%0.20819%0.194CC..  trans-57125.6177-28.538.2000112.2R39 I40 S108P37-R39 HydrophobicContact CB-CG 4.1Å; P37-R39 PolarHBondContact O-N 3.09Å; P37-I40 PolarHBondContact O-N 3.33Å; P37-I40 VanDerWaalsContact O-N 3.09Å; P37-S108 WeakPolarHBondContact CD-O 3.41Å; P37-S108 VanDerWaalsContact CG-OG 3.25Å; P37-S108 WeakPolarHBondContact CG-OG 3.16Å
38A85.8Confident94.3Very high77 Ų7738.8 Ų38.864%0.63620%0.198SC*.THydrogen-bonded Turntrans-61.3-0.8-178.800000114.8I36 I40 P185I36-A38 PolarHBondContact O-N 3.07Å; A38-I40 VanDerWaalsContact C-N 3.28Å; A38-P185 WeakPolarHBondContact O-CG 3.05Å
39R88.3Confident93.9Very high144 Ų14441.2 Ų41.254%0.54321%0.211SC..THydrogen-bonded Turntrans-67.1-26.7169.368.6174177.8152.2-5.3112.9P37 E106P37-R39 HydrophobicContact CB-CG 4.1Å; P37-R39 PolarHBondContact O-N 3.09Å; R39-E106 IonicContact CZ-OE2 3.63Å; R39-E106 VanDerWaalsContact CZ-OE2 3.24Å; R39-E106 IonicContact NH1-OE2 3.51Å; R39-E106 PolarHBondContact NH1-OE2 2.89Å; R39-E106 PolarHBondContact NH2-O 3.42Å; R39-E106 IonicContact NH2-OE2 3.2Å; R39-E106 PolarHBondContact NH2-OE2 3.31Å
40I90.3Very high92.6Very high12 Ų1247.9 Ų47.96%0.06224%0.242CC..SBendtrans-101.9130.5179.9-63.2117.7000109.8P37 A38 H42 M93 L95 T103 I107P37-I40 PolarHBondContact O-N 3.33Å; P37-I40 VanDerWaalsContact O-N 3.09Å; A38-I40 VanDerWaalsContact C-N 3.28Å; I40-H42 PolarHBondContact O-N 3.28Å; I40-H42 PolarHBondContact O-ND1 3.2Å; I40-M93 HydrophobicContact CG2-CB 4.01Å; I40-L95 HydrophobicContact CG2-CD2 4.26Å; I40-T103 HydrophobicContact CG1-CG2 4.41Å; I40-I107 HydrophobicContact CD1-CD1 3.76Å; I40-I107 HydrophobicContact CD1-CG1 3.52Å; I40-I107 HydrophobicContact CG1-CD1 4.37Å
41P92.8Very high90.7Very high16 Ų1652.4 Ų52.410%0.10428%0.28CS..  trans-66.1119.2168.7-13.528.7000109.5L94 F182 R184P41-L94 HydrophobicContact CB-CB 4.14Å; P41-L94 HydrophobicContact CB-CD2 4.46Å; P41-L94 HydrophobicContact CG-CB 4.38Å; P41-L94 HydrophobicContact CG-CD2 4.41Å; P41-L94 PolarHBondContact O-N 2.76Å; P41-F182 HydrophobicContact CB-CB 3.7Å; P41-F182 HydrophobicContact CB-CG 4.43Å; P41-R184 HydrophobicContact CB-CG 4.42Å; P41-R184 HydrophobicContact CG-CG 4.23Å
42H93.9Very high88.5Confident44 Ų4455.9 Ų55.920%0.20430%0.303CS..EExtended strand (participates in β ladder)trans-146.4166.2-173.766.6-91.5000112.3I36 I40 K92 M93I36-H42 HydrophobicContact CG2-CB 4.3Å; I36-H42 PolarHBondContact O-CE1 3.46Å; I40-H42 PolarHBondContact O-N 3.28Å; I40-H42 PolarHBondContact O-ND1 3.2Å; H42-K92 CarbonylContact C-O 3.56Å; H42-K92 VanDerWaalsContact CA-O 3.22Å; H42-K92 WeakPolarHBondContact CA-O 3.29Å; H42-K92 WeakPolarHBondContact CB-O 3.28Å; H42-M93 HydrophobicContact CB-CB 4.24Å
43R94.1Very high86.5Confident127 Ų12757.7 Ų57.748%0.47932%0.322SS..EExtended strand (participates in β ladder)trans-140.4132.3167.9-178.8178.4-179.6173.8-1108.7E45 K92 F182R43-E45 IonicContact CZ-OE1 3.77Å; R43-E45 IonicContact NE-OE1 2.66Å; R43-E45 PolarHBondContact NE-OE1 3.29Å; R43-K92 PolarHBondContact N-O 3.4Å; R43-K92 PolarHBondContact O-N 3.42Å; R43-F182 HydrophobicContact CB-CE1 4.45Å
44V95.9Very high84.5Confident20 Ų2064.8 Ų64.812%0.12136%0.355CS..EExtended strand (participates in β ladder)trans-99.8137.1169.6-177.90000108.6M34 I36 A65 F89 V91M34-V44 HydrophobicContact CB-CG1 4.29Å; I36-V44 HydrophobicContact CD1-CG2 3.69Å; V44-A65 HydrophobicContact CB-CB 4.47Å; V44-A65 HydrophobicContact CG1-CB 4.46Å; V44-F89 HydrophobicContact CG1-CD1 4.19Å; V44-V91 HydrophobicContact CG2-CG2 4.48Å
45E96.2Very high82.9Confident54 Ų5470.4 Ų70.425%0.25239%0.39SS..EExtended strand (participates in β ladder)trans-123.2128.3168.5-71.8165.4-159.300107.9R43 K90 K92R43-E45 IonicContact CZ-OE1 3.77Å; R43-E45 IonicContact NE-OE1 2.66Å; R43-E45 PolarHBondContact NE-OE1 3.29Å; E45-K90 HydrophobicContact CB-CB 4.43Å; E45-K90 PolarHBondContact N-O 3.22Å; E45-K90 PolarHBondContact O-N 2.9Å; E45-K92 WeakPolarHBondContact OE1-CE 3.23Å; E45-K92 IonicContact OE1-NZ 2.95Å; E45-K92 PolarHBondContact OE1-NZ 2.7Å; E45-K92 WeakPolarHBondContact OE2-CE 3.5Å; E45-K92 IonicContact OE2-NZ 3.45Å; E45-K92 PolarHBondContact OE2-NZ 2.72Å
46A97Very high82Confident18 Ų1867.6 Ų67.615%0.14938%0.379CS..EExtended strand (participates in β ladder)trans-109151.5-179.600000111.6V62 V67 I88 F89A46-V62 HydrophobicContact CB-CG1 4.16Å; A46-V67 HydrophobicContact CB-CG2 3.63Å; A46-I88 CarbonylContact C-O 3.59Å; A46-I88 WeakPolarHBondContact CA-O 3.32Å; A46-F89 HydrophobicContact CB-CD1 3.87Å; A46-F89 HydrophobicContact CB-CE1 3.9Å
47S95.9Very high81.2Confident42 Ų4269.3 Ų69.329%0.29440%0.396SS..EExtended strand (participates in β ladder)trans-159.3167.5178.549.60000111.1I88S47-I88 PolarHBondContact N-O 2.67Å; S47-I88 PolarHBondContact O-N 3.48Å; S47-I88 PolarHBondContact OG-O 2.84Å
48L93.7Very high80.9Confident51 Ų5170.6 Ų70.627%0.26740%0.398SS..EExtended strand (participates in β ladder)trans-111.6134.9175.4-77.5164000110.5A60 V62 V67 V86 M87L48-A60 VanDerWaalsContact CD1-C 3.48Å; L48-A60 HydrophobicContact CD1-CB 3.59Å; L48-A60 HydrophobicContact CD2-CB 4.03Å; L48-A60 HydrophobicContact CG-CB 4.5Å; L48-V62 HydrophobicContact CB-CG2 4.36Å; L48-V62 HydrophobicContact CD1-CG2 3.76Å; L48-V62 HydrophobicContact CG-CG2 3.7Å; L48-V67 HydrophobicContact CD1-CG1 4.38Å; L48-V67 HydrophobicContact CD2-CG1 3.61Å; L48-V67 HydrophobicContact CG-CG1 3.91Å; L48-V86 WeakPolarHBondContact CA-O 3.45Å; L48-M87 HydrophobicContact CD2-CG 4.03Å
49L85.8Confident81Confident53 Ų5370.5 Ų70.528%0.27739%0.391SS..EExtended strand (participates in β ladder)trans-95.4125.2170.7-155.381.8000108.4V86 I88 T352L49-V86 HydrophobicContact CB-CB 3.96Å; L49-V86 HydrophobicContact CB-CG1 3.66Å; L49-V86 HydrophobicContact CD2-CG1 4Å; L49-V86 HydrophobicContact CG-CG1 4.48Å; L49-V86 PolarHBondContact N-O 2.92Å; L49-I88 HydrophobicContact CB-CD1 4.12Å; L49-I88 HydrophobicContact CB-CG1 3.94Å; L49-I88 HydrophobicContact CD1-CG1 4.24Å; L49-I88 HydrophobicContact CD2-CD1 4.48Å; L49-T352 HydrophobicContact CD2-CG2 4.36Å
50H67.8Low81.2Confident141 Ų14164.6 Ų64.665%0.65337%0.373SS*.  trans50.490.2177-60107.3000116.1T52H50-T52 PolarHBondContact O-N 2.86Å; H50-T52 PolarHBondContact O-OG1 3.4Å
51A56.8Low81.2Confident96 Ų9665.8 Ų65.879%0.79338%0.382SS*.  trans-70.168.6170.100000112.3G53A51-G53 PolarHBondContact O-N 2.83Å
52T50.7Low81.2Confident93 Ų9367.7 Ų67.757%0.57139%0.393SS*.  trans-81.9109.8-172.3-510000111.5H50 K70H50-T52 PolarHBondContact O-N 2.86Å; H50-T52 PolarHBondContact O-OG1 3.4Å; T52-K70 WeakPolarHBondContact O-CE 3.3Å
53G54.7Low81.1Confident39 Ų3969.3 Ų69.340%0.40240%0.401SS..  trans81.8124.7164.700000116.2A51 T55A51-G53 PolarHBondContact O-N 2.83Å; G53-T55 PolarHBondContact O-N 3.49Å; G53-T55 VanDerWaalsContact O-N 3.1Å
54M57.3Low80.8Confident174 Ų17470 Ų7086%0.85741%0.414SS*.  trans-82.447.6166.9-66.1-17965.900111.5L56M54-L56 VanDerWaalsContact C-N 3.35Å
55T63.3Low80.6Confident127 Ų12770.4 Ų70.478%0.77942%0.42SS*.  trans-82.2-17-176.8-37.20000112.6G53G53-T55 PolarHBondContact O-N 3.49Å; G53-T55 VanDerWaalsContact O-N 3.1Å
56L77.2Confident80.5Confident44 Ų4470.4 Ų70.423%0.2342%0.421CS..SBendtrans-115.4163.3178.5-62.7175.1000109.9M54 F58 K70 F72 V81 L83M54-L56 VanDerWaalsContact C-N 3.35Å; L56-F58 VanDerWaalsContact C-N 3.29Å; L56-F58 PolarHBondContact O-N 3.42Å; L56-F58 VanDerWaalsContact O-N 3.14Å; L56-K70 HydrophobicContact CB-CB 4.19Å; L56-K70 HydrophobicContact CB-CD 4.43Å; L56-K70 HydrophobicContact CD1-CB 3.81Å; L56-K70 HydrophobicContact CD1-CD 3.85Å; L56-K70 HydrophobicContact CD1-CG 4.47Å; L56-K70 HydrophobicContact CG-CD 4.43Å; L56-F72 HydrophobicContact CD1-CB 4.18Å; L56-F72 HydrophobicContact CD2-CB 4.16Å; L56-V81 HydrophobicContact CD1-CG1 3.88Å; L56-V81 HydrophobicContact CD2-CG1 3.86Å; L56-L83 HydrophobicContact CD1-CD2 4.02Å
57A77.7Confident80.4Confident52 Ų5269.5 Ų69.543%0.4341%0.414SS..SBendtrans-53.9-40.8-165.600000113.9F27 T71F27-A57 HydrophobicContact CD1-CB 4.24Å; F27-A57 HydrophobicContact CE1-CB 3.9Å; A57-T71 PolarHBondContact N-O 2.77Å; A57-T71 VanDerWaalsContact N-O 3.14Å
58F84.6Confident80.3Confident59 Ų5967.5 Ų67.526%0.25940%0.4SS..BIsolated β-bridgetrans-140.3146.3175.8-60-85.3000111.2L56 K70 T71 Y122 A124L56-F58 VanDerWaalsContact C-N 3.29Å; L56-F58 PolarHBondContact O-N 3.42Å; L56-F58 VanDerWaalsContact O-N 3.14Å; F58-K70 CarbonylContact O-C 3.6Å; F58-K70 WeakPolarHBondContact O-CA 3.2Å; F58-K70 WeakPolarHBondContact O-CB 3.42Å; F58-T71 HydrophobicContact CD2-CG2 4.4Å; F58-T71 PolarHBondContact N-O 2.84Å; F58-T71 PolarHBondContact O-N 3.34Å; F58-Y122 HydrophobicContact CB-CE1 4.39Å; F58-Y122 AromaticContact CD2-CD1 3.47Å; F58-Y122 HydrophobicContact CD2-CD1 3.47Å; F58-Y122 VanDerWaalsContact CD2-CD1 3.47Å; F58-Y122 AromaticContact CD2-CE1 3.47Å; F58-Y122 HydrophobicContact CD2-CE1 3.47Å; F58-Y122 VanDerWaalsContact CD2-CE1 3.47Å; F58-Y122 AromaticContact CE2-CD1 3.4Å; F58-Y122 HydrophobicContact CE2-CD1 3.4Å; F58-Y122 VanDerWaalsContact CE2-CD1 3.4Å; F58-Y122 AromaticContact CE2-CE1 3.85Å; F58-Y122 HydrophobicContact CE2-CE1 3.85Å; F58-Y122 HydrophobicContact CE2-CG 4.39Å; F58-Y122 HydrophobicContact CG-CD1 4.34Å; F58-Y122 AromaticContact CG-CE1 3.92Å; F58-Y122 HydrophobicContact CG-CE1 3.92Å; F58-Y122 HydrophobicContact CZ-CD1 4.22Å; F58-Y122 WeakPolarHBondContact CZ-O 3.37Å; F58-A124 HydrophobicContact CD1-CB 3.69Å; F58-A124 HydrophobicContact CE1-CB 3.98Å; F58-A124 HydrophobicContact CG-CB 4.46Å
59P87.9Confident80.4Confident74 Ų7465.1 Ų65.148%0.48139%0.387SS..  trans-71.3159.5-178.730.9-36.3000112.8
60A91.3Very high80.7Confident20 Ų2063.1 Ų63.117%0.16538%0.376CS..  trans-61147.5168.700000111.4L48 C68 K70L48-A60 VanDerWaalsContact CD1-C 3.48Å; L48-A60 HydrophobicContact CD1-CB 3.59Å; L48-A60 HydrophobicContact CD2-CB 4.03Å; L48-A60 HydrophobicContact CG-CB 4.5Å; A60-C68 CarbonylContact C-O 3.59Å; A60-C68 VanDerWaalsContact CA-O 3.26Å; A60-C68 WeakPolarHBondContact CA-O 3.16Å; A60-C68 WeakPolarHBondContact CB-O 3.45Å; A60-K70 HydrophobicContact CB-CG 4.27Å
61S91.4Very high81.9Confident37 Ų3756.4 Ų56.426%0.25935%0.345SS..EExtended strand (participates in β ladder)trans-144.2160.3-173.449.90000112.5H63 C68S61-H63 PolarHBondContact OG-CE1 2.87Å; S61-C68 PolarHBondContact N-O 3.34Å; S61-C68 PolarHBondContact O-N 3.46Å
62V93.1Very high83.5Confident56 Ų5651.8 Ų51.834%0.33931%0.307SS..EExtended strand (participates in β ladder)trans-126.9131.4-176.2-175.90000109.9A46 L48 V67A46-V62 HydrophobicContact CB-CG1 4.16Å; L48-V62 HydrophobicContact CB-CG2 4.36Å; L48-V62 HydrophobicContact CD1-CG2 3.76Å; L48-V62 HydrophobicContact CG-CG2 3.7Å; V62-V67 HydrophobicContact CG2-CG1 4.29Å; V62-V67 HydrophobicContact CG2-CG2 4.45Å
63H89.9Confident85.5Confident78 Ų7851.5 Ų51.536%0.36130%0.3SS..EExtended strand (participates in β ladder)trans-133.189.3-176.2-60.7102.9000108.9S61 A65 L66 L127S61-H63 PolarHBondContact OG-CE1 2.87Å; H63-A65 PolarHBondContact O-N 2.68Å; H63-L66 PolarHBondContact N-O 3.33Å; H63-L66 WeakPolarHBondContact O-CB 3.22Å; H63-L66 PolarHBondContact O-N 2.87Å; H63-L127 HydrophobicContact CB-CD1 4.3Å
64D88.9Confident87.3Confident141 Ų14149.8 Ų49.875%0.75428%0.281SS*.THydrogen-bonded Turntrans54.1-112-171.2-174.363.6000112.2
65A90.9Very high88.9Confident29 Ų2944.3 Ų44.324%0.2426%0.255CS..THydrogen-bonded Turntrans-89.23.217700000114.8V44 H63V44-A65 HydrophobicContact CB-CB 4.47Å; V44-A65 HydrophobicContact CG1-CB 4.46Å; H63-A65 PolarHBondContact O-N 2.68Å
66L94.3Very high90.1Very high54 Ų5445.4 Ų45.428%0.28325%0.246SC..EExtended strand (participates in β ladder)trans-104.3130.8179.3-172.270.8000110.5R31 H63R31-L66 HydrophobicContact CB-CD1 4.09Å; H63-L66 PolarHBondContact N-O 3.33Å; H63-L66 WeakPolarHBondContact O-CB 3.22Å; H63-L66 PolarHBondContact O-N 2.87Å
67V95.6Very high90.6Very high0 Ų049.3 Ų49.30%026%0.261CS..EExtended strand (participates in β ladder)trans-111.3131.2171.7-170.10000109.5R31 A32 A46 L48 V62 M87 F89R31-V67 CarbonylContact C-O 3.47Å; R31-V67 WeakPolarHBondContact CA-O 3.43Å; A32-V67 PolarHBondContact N-O 3.02Å; A32-V67 PolarHBondContact O-N 3.27Å; A46-V67 HydrophobicContact CB-CG2 3.63Å; L48-V67 HydrophobicContact CD1-CG1 4.38Å; L48-V67 HydrophobicContact CD2-CG1 3.61Å; L48-V67 HydrophobicContact CG-CG1 3.91Å; V62-V67 HydrophobicContact CG2-CG1 4.29Å; V62-V67 HydrophobicContact CG2-CG2 4.45Å; V67-M87 HydrophobicContact CB-CB 4.37Å; V67-M87 HydrophobicContact CB-CG 4.25Å; V67-M87 HydrophobicContact CB-SD 3.76Å; V67-M87 HydrophobicContact CG1-CB 4.12Å; V67-M87 HydrophobicContact CG1-CE 3.9Å; V67-M87 HydrophobicContact CG1-CG 3.69Å; V67-M87 HydrophobicContact CG1-SD 3.59Å; V67-M87 VanDerWaalsContact CG1-SD 3.59Å; V67-M87 HydrophobicContact CG2-CB 4.36Å; V67-F89 HydrophobicContact CB-CZ 4.25Å; V67-F89 HydrophobicContact CG2-CE1 3.88Å; V67-F89 HydrophobicContact CG2-CZ 3.74Å
68C94.5Very high91.3Very high0 Ų053.3 Ų53.30%028%0.275CS..EExtended strand (participates in β ladder)trans-103.6131174.4-61.90000108.9Q29 R31 A60 S61Q29-C68 HydrophobicContact CG-CB 4.31Å; R31-C68 HydrophobicContact CG-CB 4.45Å; A60-C68 CarbonylContact C-O 3.59Å; A60-C68 VanDerWaalsContact CA-O 3.26Å; A60-C68 WeakPolarHBondContact CA-O 3.16Å; A60-C68 WeakPolarHBondContact CB-O 3.45Å; S61-C68 PolarHBondContact N-O 3.34Å; S61-C68 PolarHBondContact O-N 3.46Å
69S94.9Very high91.7Very high0 Ų052.8 Ų52.80%027%0.274CS..PPolyproline II helixtrans-61.1170169.372.90000111.4I30 T71 D85I30-S69 PolarHBondContact N-OG 3.2Å; I30-S69 WeakPolarHBondContact O-CB 3.33Å; I30-S69 PolarHBondContact O-N 3.42Å; I30-S69 PolarHBondContact O-OG 2.87Å; S69-T71 PolarHBondContact O-N 3.16Å; S69-D85 WeakPolarHBondContact CA-OD2 3.5Å; S69-D85 WeakPolarHBondContact CB-OD2 3.49Å
70K91.8Very high92Very high11 Ų1154 Ų545%0.04827%0.273CS..PPolyproline II helixtrans-48.6140157.1-67.5173.3-175.493.50109.1T52 L56 F58 A60 L83 N84 D85T52-K70 WeakPolarHBondContact O-CE 3.3Å; L56-K70 HydrophobicContact CB-CB 4.19Å; L56-K70 HydrophobicContact CB-CD 4.43Å; L56-K70 HydrophobicContact CD1-CB 3.81Å; L56-K70 HydrophobicContact CD1-CD 3.85Å; L56-K70 HydrophobicContact CD1-CG 4.47Å; L56-K70 HydrophobicContact CG-CD 4.43Å; F58-K70 CarbonylContact O-C 3.6Å; F58-K70 WeakPolarHBondContact O-CA 3.2Å; F58-K70 WeakPolarHBondContact O-CB 3.42Å; A60-K70 HydrophobicContact CB-CG 4.27Å; K70-L83 PolarHBondContact NZ-O 2.83Å; K70-N84 PolarHBondContact NZ-O 2.81Å; K70-D85 WeakPolarHBondContact CE-OD1 3.41Å; K70-D85 WeakPolarHBondContact CG-OD1 3.35Å; K70-D85 PolarHBondContact N-OD2 3.06Å; K70-D85 IonicContact NZ-OD1 3.13Å; K70-D85 PolarHBondContact NZ-OD1 3.44Å
71T92.3Very high92.1Very high0 Ų053.6 Ų53.60%027%0.268CS..BIsolated β-bridgetrans-85.3126171.7-54.90000108.4F27 Y28 Q29 A57 F58 S69 Y122F27-T71 HydrophobicContact CB-CG2 3.94Å; F27-T71 HydrophobicContact CD1-CG2 4.38Å; Y28-T71 WeakPolarHBondContact O-CA 3.2Å; Y28-T71 WeakPolarHBondContact O-CG2 3.39Å; Q29-T71 PolarHBondContact NE2-OG1 3.37Å; A57-T71 PolarHBondContact N-O 2.77Å; A57-T71 VanDerWaalsContact N-O 3.14Å; F58-T71 HydrophobicContact CD2-CG2 4.4Å; F58-T71 PolarHBondContact N-O 2.84Å; F58-T71 PolarHBondContact O-N 3.34Å; S69-T71 PolarHBondContact O-N 3.16Å; T71-Y122 HydrophobicContact CG2-CD1 3.91Å; T71-Y122 HydrophobicContact CG2-CE1 3.84Å
72F92.3Very high92.3Very high0 Ų055.3 Ų55.30%028%0.277CS..EExtended strand (participates in β ladder)trans-118.7154.9-177.553.9-84.9000111F17 F27 Y28 I30 L56 I74 V81 L83F17-F72 HydrophobicContact CB-CE2 4.48Å; F17-F72 HydrophobicContact CB-CZ 4.24Å; F17-F72 HydrophobicContact CD1-CD2 4.33Å; F17-F72 AromaticContact CD1-CE2 3.36Å; F17-F72 HydrophobicContact CD1-CE2 3.36Å; F17-F72 AromaticContact CD1-CZ 3.68Å; F17-F72 HydrophobicContact CD1-CZ 3.68Å; F17-F72 HydrophobicContact CD2-CZ 4.02Å; F17-F72 AromaticContact CE1-CE2 3.52Å; F17-F72 HydrophobicContact CE1-CE2 3.52Å; F17-F72 AromaticContact CE1-CZ 3.91Å; F17-F72 HydrophobicContact CE1-CZ 3.91Å; F17-F72 HydrophobicContact CE2-CZ 4.21Å; F17-F72 AromaticContact CG-CE2 3.89Å; F17-F72 HydrophobicContact CG-CE2 3.89Å; F17-F72 AromaticContact CG-CZ 3.71Å; F17-F72 HydrophobicContact CG-CZ 3.71Å; F17-F72 HydrophobicContact CZ-CE2 4.15Å; F17-F72 HydrophobicContact CZ-CZ 4.13Å; F27-F72 CarbonylContact C-O 3.54Å; F27-F72 WeakPolarHBondContact CA-O 3.35Å; Y28-F72 VanDerWaalsContact CB-CE2 3.41Å; Y28-F72 HydrophobicContact CG-CE2 4.26Å; Y28-F72 PolarHBondContact N-O 2.89Å; Y28-F72 WeakPolarHBondContact O-CD1 3.11Å; Y28-F72 PolarHBondContact O-N 2.52Å; I30-F72 HydrophobicContact CG1-CE1 4.4Å; L56-F72 HydrophobicContact CD1-CB 4.18Å; L56-F72 HydrophobicContact CD2-CB 4.16Å; F72-I74 HydrophobicContact CD2-CD1 3.88Å; F72-I74 HydrophobicContact CD2-CG1 3.91Å; F72-I74 HydrophobicContact CE2-CD1 4Å; F72-I74 HydrophobicContact CE2-CG1 3.92Å; F72-V81 HydrophobicContact CB-CG1 3.74Å; F72-V81 HydrophobicContact CD2-CB 4.39Å; F72-V81 HydrophobicContact CD2-CG1 4.27Å; F72-V81 HydrophobicContact CD2-CG2 4.05Å; F72-V81 HydrophobicContact CG-CG1 3.99Å; F72-L83 HydrophobicContact CD1-CD2 3.55Å; F72-L83 HydrophobicContact CE1-CD2 3.83Å; F72-L83 HydrophobicContact CG-CD2 4.31Å
73Q91.6Very high92.3Very high87 Ų8752.8 Ų52.841%0.40726%0.262SS..EExtended strand (participates in β ladder)trans-96.9144.7173.6-158.3174.323.700109.3G26 F27 L75G26-Q73 WeakPolarHBondContact O-CA 3.36Å; G26-Q73 WeakPolarHBondContact O-CG 3.32Å; F27-Q73 HydrophobicContact CD1-CB 3.94Å; F27-Q73 HydrophobicContact CD1-CG 4.07Å; F27-Q73 HydrophobicContact CE1-CB 3.78Å; F27-Q73 HydrophobicContact CE1-CG 3.83Å; F27-Q73 HydrophobicContact CZ-CG 4.27Å; Q73-L75 HydrophobicContact CG-CD2 4.09Å; Q73-L75 HydrophobicContact CG-CG 4.22Å
74I92.9Very high92.5Very high2 Ų251.3 Ų51.31%0.0126%0.256CS..EExtended strand (participates in β ladder)trans-121.6129.5168.7-62.8-64000108.3F17 N19 L22 R25 G26 Y28 F72 E79 V81F17-I74 HydrophobicContact CD1-CD1 4.27Å; F17-I74 HydrophobicContact CE1-CD1 4.18Å; F17-I74 HydrophobicContact CE1-CG1 4.38Å; N19-I74 HydrophobicContact CB-CD1 4.11Å; N19-I74 HydrophobicContact CB-CG2 4.13Å; N19-I74 WeakPolarHBondContact ND2-CG2 3.45Å; L22-I74 HydrophobicContact CD1-CG1 4.42Å; L22-I74 HydrophobicContact CD1-CG2 4.42Å; R25-I74 WeakPolarHBondContact CA-O 3.23Å; G26-I74 PolarHBondContact N-O 3.25Å; G26-I74 PolarHBondContact O-N 3.05Å; Y28-I74 HydrophobicContact CD2-CB 3.77Å; Y28-I74 HydrophobicContact CD2-CG1 3.6Å; Y28-I74 HydrophobicContact CE2-CB 3.75Å; Y28-I74 HydrophobicContact CE2-CG1 4.01Å; Y28-I74 HydrophobicContact CE2-CG2 4.45Å; Y28-I74 HydrophobicContact CG-CG1 4.32Å; F72-I74 HydrophobicContact CD2-CD1 3.88Å; F72-I74 HydrophobicContact CD2-CG1 3.91Å; F72-I74 HydrophobicContact CE2-CD1 4Å; F72-I74 HydrophobicContact CE2-CG1 3.92Å; I74-E79 HydrophobicContact CD1-CG 4.34Å; I74-V81 HydrophobicContact CD1-CG2 3.77Å
75L89.8Confident92.8Very high59 Ų5944.8 Ų44.831%0.30922%0.221SC..  trans-126.6-27-174.5-64.3177.9000112.5R25 Q73 E79R25-L75 PolarHBondContact NE-O 3.27Å; R25-L75 PolarHBondContact NH2-O 3.07Å; Q73-L75 HydrophobicContact CG-CD2 4.09Å; Q73-L75 HydrophobicContact CG-CG 4.22Å; L75-E79 PolarHBondContact N-OE2 3.3Å
76Y88.3Confident93Very high150 Ų15043.5 Ų43.559%0.58821%0.211SC*.SBendtrans-134.7154.6-172.8-55.3-76.6000111.9N19 E79N19-Y76 PolarHBondContact ND2-O 3.31Å; Y76-E79 PolarHBondContact N-OE2 3.13Å; Y76-E79 VanDerWaalsContact O-CB 3.25Å; Y76-E79 WeakPolarHBondContact O-CB 3.39Å
77K89.6Confident93.1Very high127 Ų12741 Ų4155%0.55220%0.197SC*.THydrogen-bonded Turntrans-70.7153.2169.5-57.4-170.4-176-150.90109.7D21 E79D21-K77 HydrophobicContact CB-CD 4.5Å; D21-K77 VanDerWaalsContact OD1-CD 3.23Å; D21-K77 WeakPolarHBondContact OD1-CD 3.46Å; D21-K77 WeakPolarHBondContact OD1-CE 3.39Å; D21-K77 IonicContact OD1-NZ 2.69Å; D21-K77 PolarHBondContact OD1-NZ 2.93Å; D21-K77 IonicContact OD2-NZ 2.83Å; D21-K77 PolarHBondContact OD2-NZ 3.05Å; K77-E79 VanDerWaalsContact C-N 3.29Å; K77-E79 PolarHBondContact O-N 2.59Å
78N91.1Very high93.2Very high136 Ų13641.1 Ų41.173%0.72720%0.198SC*.THydrogen-bonded Turntrans5640.2-175.4-54.9-39.5000113.2N19 V20N19-N78 CarbonylContact O-C 3.51Å; N19-N78 WeakPolarHBondContact O-CA 3.31Å; N19-N78 PolarHBondContact O-N 3.45Å; V20-N78 PolarHBondContact O-N 2.86Å; V20-N78 PolarHBondContact O-OD1 2.95Å
79E92.8Very high93.4Very high48 Ų4841.1 Ų41.122%0.22420%0.198CC..EExtended strand (participates in β ladder)trans-98.1127.5-179.1-177.3165.3-153.100110.5N19 I74 L75 Y76 K77N19-E79 HydrophobicContact CB-CB 4.29Å; N19-E79 PolarHBondContact N-O 3.13Å; N19-E79 PolarHBondContact O-N 3.17Å; N19-E79 VanDerWaalsContact O-N 3.12Å; I74-E79 HydrophobicContact CD1-CG 4.34Å; L75-E79 PolarHBondContact N-OE2 3.3Å; Y76-E79 PolarHBondContact N-OE2 3.13Å; Y76-E79 VanDerWaalsContact O-CB 3.25Å; Y76-E79 WeakPolarHBondContact O-CB 3.39Å; K77-E79 VanDerWaalsContact C-N 3.29Å; K77-E79 PolarHBondContact O-N 2.59Å
80E94.6Very high93.5Very high98 Ų9844 Ų4446%0.45821%0.211SC..EExtended strand (participates in β ladder)trans-104.2129.1178.4-175.7-173.2135.200110.5K16 Y18K16-E80 VanDerWaalsContact CD-OE1 3.27Å; K16-E80 WeakPolarHBondContact CD-OE1 3.42Å; K16-E80 WeakPolarHBondContact CE-OE1 3.3Å; K16-E80 IonicContact NZ-OE1 3.17Å; K16-E80 PolarHBondContact NZ-OE1 3.31Å; K16-E80 IonicContact NZ-OE2 3.91Å; Y18-E80 HydrophobicContact CD1-CB 4.2Å; Y18-E80 HydrophobicContact CD1-CG 3.75Å; Y18-E80 HydrophobicContact CE1-CG 3.73Å; Y18-E80 WeakPolarHBondContact CE1-OE2 3.24Å
81V94.5Very high93.8Very high13 Ų1343.4 Ų43.48%0.07921%0.208CC..EExtended strand (participates in β ladder)trans-118.9120.4176.7-179.40000109.6K16 F17 L56 F72 I74 L83K16-V81 CarbonylContact C-O 3.31Å; K16-V81 WeakPolarHBondContact CA-O 3.42Å; F17-V81 HydrophobicContact CB-CB 4.43Å; F17-V81 PolarHBondContact N-O 2.6Å; F17-V81 PolarHBondContact O-N 2.77Å; L56-V81 HydrophobicContact CD1-CG1 3.88Å; L56-V81 HydrophobicContact CD2-CG1 3.86Å; F72-V81 HydrophobicContact CB-CG1 3.74Å; F72-V81 HydrophobicContact CD2-CB 4.39Å; F72-V81 HydrophobicContact CD2-CG1 4.27Å; F72-V81 HydrophobicContact CD2-CG2 4.05Å; F72-V81 HydrophobicContact CG-CG1 3.99Å; I74-V81 HydrophobicContact CD1-CG2 3.77Å; V81-L83 HydrophobicContact CG1-CD2 4.05Å; V81-L83 PolarHBondContact O-N 3.19Å
82V93.6Very high94Very high73 Ų7344.9 Ų44.944%0.44222%0.215SC..EExtended strand (participates in β ladder)trans-78.7116.1170.8-178.60000108.9K16 N84K16-V82 HydrophobicContact CG-CG2 4.49Å; V82-N84 HydrophobicContact CG1-CB 4.34Å; V82-N84 WeakPolarHBondContact CG1-ND2 3.19Å
83L93.6Very high94.2Very high2 Ų244.9 Ų44.91%0.0122%0.215CC..EExtended strand (participates in β ladder)trans-90.5-55.8177.4-63.2178.2000110.3L14 N15 F17 I30 L56 K70 F72 V81 D85L14-L83 HydrophobicContact CB-CB 4.49Å; L14-L83 HydrophobicContact CB-CD1 4.05Å; L14-L83 WeakPolarHBondContact O-CB 3.31Å; N15-L83 PolarHBondContact O-N 3.26Å; F17-L83 HydrophobicContact CB-CD1 4.09Å; F17-L83 HydrophobicContact CB-CG 4.36Å; I30-L83 HydrophobicContact CD1-CD1 3.99Å; L56-L83 HydrophobicContact CD1-CD2 4.02Å; K70-L83 PolarHBondContact NZ-O 2.83Å; F72-L83 HydrophobicContact CD1-CD2 3.55Å; F72-L83 HydrophobicContact CE1-CD2 3.83Å; F72-L83 HydrophobicContact CG-CD2 4.31Å; V81-L83 HydrophobicContact CG1-CD2 4.05Å; V81-L83 PolarHBondContact O-N 3.19Å; L83-D85 VanDerWaalsContact C-N 3.26Å; L83-D85 PolarHBondContact O-N 3.18Å
84N94.2Very high94.3Very high47 Ų4741.1 Ų41.125%0.25120%0.197SC..EExtended strand (participates in β ladder)trans44.251.1-172.2-73.1-9.7000112.5L14 N15 K70 V82 L353L14-N84 WeakPolarHBondContact O-CA 3.32Å; L14-N84 PolarHBondContact O-N 3.28Å; N15-N84 WeakPolarHBondContact CA-OD1 3.29Å; N15-N84 PolarHBondContact O-N 2.97Å; N15-N84 PolarHBondContact O-OD1 2.69Å; N15-N84 VanDerWaalsContact O-OD1 3.14Å; K70-N84 PolarHBondContact NZ-O 2.81Å; V82-N84 HydrophobicContact CG1-CB 4.34Å; V82-N84 WeakPolarHBondContact CG1-ND2 3.19Å; N84-L353 HydrophobicContact CB-CD1 3.88Å; N84-L353 HydrophobicContact CB-CD2 4.18Å
85D94.7Very high94.3Very high4 Ų441.2 Ų41.22%0.02120%0.198CC..EExtended strand (participates in β ladder)trans-100.7122.1174.4-72.3-36.3000110L14 S69 K70 L83 M87L14-D85 HydrophobicContact CB-CB 4.5Å; L14-D85 PolarHBondContact N-O 2.93Å; L14-D85 PolarHBondContact O-N 3.28Å; S69-D85 WeakPolarHBondContact CA-OD2 3.5Å; S69-D85 WeakPolarHBondContact CB-OD2 3.49Å; K70-D85 WeakPolarHBondContact CE-OD1 3.41Å; K70-D85 WeakPolarHBondContact CG-OD1 3.35Å; K70-D85 PolarHBondContact N-OD2 3.06Å; K70-D85 IonicContact NZ-OD1 3.13Å; K70-D85 PolarHBondContact NZ-OD1 3.44Å; L83-D85 VanDerWaalsContact C-N 3.26Å; L83-D85 PolarHBondContact O-N 3.18Å; D85-M87 HydrophobicContact CB-CE 4.01Å
86V96.3Very high94.5Very high3 Ų340.5 Ų40.52%0.01819%0.194CC..EExtended strand (participates in β ladder)trans-110.2114.8-177.1-179.80000109.3S11 E13 L48 L49 I88 T352 L353S11-V86 WeakPolarHBondContact OG-CG1 3.32Å; E13-V86 HydrophobicContact CB-CG2 4.45Å; E13-V86 HydrophobicContact CG-CG1 4.21Å; E13-V86 HydrophobicContact CG-CG2 4.16Å; L48-V86 WeakPolarHBondContact CA-O 3.45Å; L49-V86 HydrophobicContact CB-CB 3.96Å; L49-V86 HydrophobicContact CB-CG1 3.66Å; L49-V86 HydrophobicContact CD2-CG1 4Å; L49-V86 HydrophobicContact CG-CG1 4.48Å; L49-V86 PolarHBondContact N-O 2.92Å; V86-I88 HydrophobicContact CG1-CD1 4.09Å; V86-T352 HydrophobicContact CB-CG2 4.44Å; V86-T352 HydrophobicContact CG1-CG2 4.06Å; V86-T352 HydrophobicContact CG2-CG2 3.66Å; V86-L353 HydrophobicContact CG2-CD1 4.01Å; V86-L353 HydrophobicContact CG2-CD2 3.91Å; V86-L353 HydrophobicContact CG2-CG 3.83Å
87M96.9Very high94.6Very high0 Ų033.4 Ų33.40%017%0.167CC..EExtended strand (participates in β ladder)trans-111.7115.8-168.8-49.5-174.317200109.6V12 L14 A32 L48 V67 D85 F89V12-M87 HydrophobicContact CB-CB 4.35Å; V12-M87 PolarHBondContact N-O 2.95Å; V12-M87 WeakPolarHBondContact O-CB 3.46Å; V12-M87 PolarHBondContact O-N 2.62Å; L14-M87 HydrophobicContact CD1-CE 3.46Å; L14-M87 VanDerWaalsContact CD1-CE 3.46Å; L14-M87 HydrophobicContact CD1-SD 4.21Å; L14-M87 HydrophobicContact CG-CE 3.97Å; L14-M87 HydrophobicContact CG-SD 4.37Å; A32-M87 HydrophobicContact CB-SD 3.59Å; A32-M87 VanDerWaalsContact CB-SD 3.59Å; L48-M87 HydrophobicContact CD2-CG 4.03Å; V67-M87 HydrophobicContact CB-CB 4.37Å; V67-M87 HydrophobicContact CB-CG 4.25Å; V67-M87 HydrophobicContact CB-SD 3.76Å; V67-M87 HydrophobicContact CG1-CB 4.12Å; V67-M87 HydrophobicContact CG1-CE 3.9Å; V67-M87 HydrophobicContact CG1-CG 3.69Å; V67-M87 HydrophobicContact CG1-SD 3.59Å; V67-M87 VanDerWaalsContact CG1-SD 3.59Å; V67-M87 HydrophobicContact CG2-CB 4.36Å; D85-M87 HydrophobicContact CB-CE 4.01Å; M87-F89 HydrophobicContact CB-CE2 3.87Å; M87-F89 HydrophobicContact CB-CZ 4.45Å
88I97.7Very high94.6Very high4 Ų434.8 Ų34.82%0.02117%0.168CC..EExtended strand (participates in β ladder)trans-99.6113.7-177.6-50.9-56.4000109.8E9 F10 S11 A46 S47 L49 V86 K90 L348E9-I88 HydrophobicContact CG-CG2 3.76Å; E9-I88 WeakPolarHBondContact OE1-CG2 3.09Å; F10-I88 CarbonylContact O-C 3.59Å; F10-I88 WeakPolarHBondContact O-CA 3.34Å; S11-I88 WeakPolarHBondContact OG-CD1 3.37Å; A46-I88 CarbonylContact C-O 3.59Å; A46-I88 WeakPolarHBondContact CA-O 3.32Å; S47-I88 PolarHBondContact N-O 2.67Å; S47-I88 PolarHBondContact O-N 3.48Å; S47-I88 PolarHBondContact OG-O 2.84Å; L49-I88 HydrophobicContact CB-CD1 4.12Å; L49-I88 HydrophobicContact CB-CG1 3.94Å; L49-I88 HydrophobicContact CD1-CG1 4.24Å; L49-I88 HydrophobicContact CD2-CD1 4.48Å; V86-I88 HydrophobicContact CG1-CD1 4.09Å; I88-K90 HydrophobicContact CG2-CG 4.15Å; I88-L348 HydrophobicContact CD1-CD1 4.29Å
89F98.4Very high94.6Very high0 Ų032.6 Ų32.60%015%0.152CC..EExtended strand (participates in β ladder)trans-104.4111.3172.6-61.5-86.7000110F10 V12 A32 M34 V44 A46 V67 M87 L111F10-F89 HydrophobicContact CB-CB 4.37Å; F10-F89 PolarHBondContact N-O 3.03Å; F10-F89 PolarHBondContact O-N 2.88Å; V12-F89 HydrophobicContact CB-CD2 4.46Å; V12-F89 HydrophobicContact CB-CE2 4.28Å; V12-F89 HydrophobicContact CG2-CD2 3.95Å; V12-F89 HydrophobicContact CG2-CE2 4.13Å; A32-F89 HydrophobicContact CB-CE2 4.37Å; A32-F89 HydrophobicContact CB-CZ 3.94Å; M34-F89 HydrophobicContact CB-CB 4.13Å; M34-F89 HydrophobicContact CB-CD1 3.76Å; M34-F89 HydrophobicContact CB-CE1 4.32Å; M34-F89 HydrophobicContact CB-CG 3.93Å; M34-F89 HydrophobicContact CE-CB 4.39Å; M34-F89 HydrophobicContact CE-CD2 4.46Å; V44-F89 HydrophobicContact CG1-CD1 4.19Å; A46-F89 HydrophobicContact CB-CD1 3.87Å; A46-F89 HydrophobicContact CB-CE1 3.9Å; V67-F89 HydrophobicContact CB-CZ 4.25Å; V67-F89 HydrophobicContact CG2-CE1 3.88Å; V67-F89 HydrophobicContact CG2-CZ 3.74Å; M87-F89 HydrophobicContact CB-CE2 3.87Å; M87-F89 HydrophobicContact CB-CZ 4.45Å; F89-L111 HydrophobicContact CE2-CD1 4.35Å
90K97.4Very high94.6Very high59 Ų5930.5 Ų30.526%0.25714%0.143SC..EExtended strand (participates in β ladder)trans-93.7111.1175-55.6-175.9-170.3-69.30108.7M7 E9 E45 I88M7-K90 HydrophobicContact SD-CB 4.44Å; E9-K90 HydrophobicContact CG-CG 4.14Å; E9-K90 IonicContact OE1-NZ 3.02Å; E9-K90 PolarHBondContact OE1-NZ 2.95Å; E9-K90 IonicContact OE2-NZ 2.77Å; E9-K90 PolarHBondContact OE2-NZ 3.39Å; E45-K90 HydrophobicContact CB-CB 4.43Å; E45-K90 PolarHBondContact N-O 3.22Å; E45-K90 PolarHBondContact O-N 2.9Å; I88-K90 HydrophobicContact CG2-CG 4.15Å
91V97.4Very high94.5Very high0 Ų030.2 Ų30.20%014%0.141CC..EExtended strand (participates in β ladder)trans-100.2103.8-178.6-174.20000109.2M7 V8 F10 M34 I36 V44 M93 F109M7-V91 WeakPolarHBondContact CA-O 3.23Å; V8-V91 PolarHBondContact N-O 3.09Å; V8-V91 PolarHBondContact O-N 3.34Å; F10-V91 HydrophobicContact CD2-CG2 3.94Å; F10-V91 HydrophobicContact CE2-CB 4.49Å; F10-V91 HydrophobicContact CE2-CG2 3.88Å; M34-V91 HydrophobicContact CG-CG2 4.07Å; I36-V91 HydrophobicContact CD1-CG1 3.69Å; I36-V91 HydrophobicContact CD1-CG2 4Å; I36-V91 HydrophobicContact CG1-CG1 3.62Å; V44-V91 HydrophobicContact CG2-CG2 4.48Å; V91-M93 HydrophobicContact CB-CE 4.3Å; V91-M93 HydrophobicContact CG1-CE 3.61Å; V91-F109 HydrophobicContact CG1-CE1 4.26Å
92K96.5Very high94.4Very high30 Ų3034.2 Ų34.213%0.1316%0.159CC..EExtended strand (participates in β ladder)trans-93.3129.7174.9-61.4173.9-168.8172.10108.5A6 M7 H42 R43 E45 I180 F182A6-K92 WeakPolarHBondContact O-CA 3.49Å; M7-K92 HydrophobicContact CB-CG 4.47Å; M7-K92 HydrophobicContact CE-CD 4.29Å; M7-K92 HydrophobicContact CE-CG 4.13Å; M7-K92 HydrophobicContact CG-CG 3.84Å; M7-K92 HydrophobicContact SD-CG 4.07Å; H42-K92 CarbonylContact C-O 3.56Å; H42-K92 VanDerWaalsContact CA-O 3.22Å; H42-K92 WeakPolarHBondContact CA-O 3.29Å; H42-K92 WeakPolarHBondContact CB-O 3.28Å; R43-K92 PolarHBondContact N-O 3.4Å; R43-K92 PolarHBondContact O-N 3.42Å; E45-K92 WeakPolarHBondContact OE1-CE 3.23Å; E45-K92 IonicContact OE1-NZ 2.95Å; E45-K92 PolarHBondContact OE1-NZ 2.7Å; E45-K92 WeakPolarHBondContact OE2-CE 3.5Å; E45-K92 IonicContact OE2-NZ 3.45Å; E45-K92 PolarHBondContact OE2-NZ 2.72Å; K92-I180 HydrophobicContact CB-CD1 4.49Å; K92-I180 HydrophobicContact CD-CD1 3.98Å; K92-F182 HydrophobicContact CB-CE1 4.05Å; K92-F182 HydrophobicContact CB-CZ 4.26Å
93M95.5Very high94.3Very high0 Ų031.9 Ų31.90%015%0.145CC..EExtended strand (participates in β ladder)trans-143.2151.2-174.363.1-176.277.400112.1Q5 A6 V8 I40 H42 V91 L95 L104 I107 F109Q5-M93 WeakPolarHBondContact CA-O 3.43Å; A6-M93 HydrophobicContact CB-CG 3.91Å; A6-M93 PolarHBondContact N-O 3.22Å; A6-M93 PolarHBondContact O-N 2.73Å; V8-M93 HydrophobicContact CG2-CE 4.09Å; I40-M93 HydrophobicContact CG2-CB 4.01Å; H42-M93 HydrophobicContact CB-CB 4.24Å; V91-M93 HydrophobicContact CB-CE 4.3Å; V91-M93 HydrophobicContact CG1-CE 3.61Å; M93-L95 HydrophobicContact CG-CD1 4.24Å; M93-L95 HydrophobicContact CG-CD2 4.01Å; M93-L95 HydrophobicContact CG-CG 3.97Å; M93-L95 HydrophobicContact SD-CD1 4.01Å; M93-L95 HydrophobicContact SD-CD2 3.83Å; M93-L95 HydrophobicContact SD-CG 4.15Å; M93-L104 HydrophobicContact CE-CD2 3.98Å; M93-L104 HydrophobicContact SD-CD2 3.56Å; M93-L104 VanDerWaalsContact SD-CD2 3.56Å; M93-I107 HydrophobicContact CE-CD1 4.44Å; M93-I107 HydrophobicContact SD-CD1 3.77Å; M93-F109 HydrophobicContact CE-CE1 3.73Å; M93-F109 HydrophobicContact CE-CZ 3.87Å
94L94.3Very high94.3Very high9 Ų931.8 Ų31.85%0.04715%0.145CC..EExtended strand (participates in β ladder)trans-103.5114.2178-169.167.5000109.6E3 V4 P41 P178 F182E3-L94 HydrophobicContact CB-CD1 3.77Å; E3-L94 HydrophobicContact CB-CD2 4.38Å; E3-L94 HydrophobicContact CB-CG 3.9Å; E3-L94 HydrophobicContact CG-CG 4.44Å; V4-L94 WeakPolarHBondContact O-CA 3.27Å; P41-L94 HydrophobicContact CB-CB 4.14Å; P41-L94 HydrophobicContact CB-CD2 4.46Å; P41-L94 HydrophobicContact CG-CB 4.38Å; P41-L94 HydrophobicContact CG-CD2 4.41Å; P41-L94 PolarHBondContact O-N 2.76Å; L94-P178 HydrophobicContact CD1-CB 4.02Å; L94-P178 HydrophobicContact CD1-CG 3.56Å; L94-F182 HydrophobicContact CB-CD2 3.98Å; L94-F182 HydrophobicContact CB-CE2 4.24Å; L94-F182 HydrophobicContact CB-CG 4.28Å; L94-F182 HydrophobicContact CD1-CD2 4.34Å; L94-F182 HydrophobicContact CD1-CE2 4.34Å; L94-F182 HydrophobicContact CD2-CD2 4.29Å; L94-F182 HydrophobicContact CG-CD2 4.45Å
95L94.1Very high94Very high4 Ų434.3 Ų34.32%0.02116%0.155CC..EExtended strand (participates in β ladder)trans-116.5157.3-173.8-57-177.9000111.7E3 V4 A6 I40 M93 I100 T103 L104 I107E3-L95 CarbonylContact C-O 3.53Å; E3-L95 WeakPolarHBondContact CA-O 3.25Å; V4-L95 HydrophobicContact CG2-CB 4.28Å; V4-L95 PolarHBondContact N-O 2.9Å; V4-L95 PolarHBondContact O-N 2.92Å; A6-L95 HydrophobicContact CB-CD1 3.71Å; A6-L95 HydrophobicContact CB-CG 4.32Å; I40-L95 HydrophobicContact CG2-CD2 4.26Å; M93-L95 HydrophobicContact CG-CD1 4.24Å; M93-L95 HydrophobicContact CG-CD2 4.01Å; M93-L95 HydrophobicContact CG-CG 3.97Å; M93-L95 HydrophobicContact SD-CD1 4.01Å; M93-L95 HydrophobicContact SD-CD2 3.83Å; M93-L95 HydrophobicContact SD-CG 4.15Å; L95-I100 HydrophobicContact CD1-CG2 4.24Å; L95-T103 HydrophobicContact CD2-CG2 3.75Å; L95-L104 HydrophobicContact CD1-CD1 4.06Å; L95-L104 HydrophobicContact CD1-CD2 4.39Å; L95-L104 HydrophobicContact CD1-CG 3.9Å; L95-I107 HydrophobicContact CD2-CD1 4.49Å
96D92.1Very high93.8Very high43 Ų4339.7 Ų39.723%0.2318%0.18CC..EExtended strand (participates in β ladder)trans-75.1128.2167-168.8-43.6000109.3M1 R98 K99 I100M1-D96 WeakPolarHBondContact CB-OD2 3.43Å; M1-D96 WeakPolarHBondContact CG-OD2 3.41Å; D96-R98 PolarHBondContact O-N 3.4Å; D96-R98 PolarHBondContact OD1-N 2.92Å; D96-K99 HydrophobicContact CB-CB 4.46Å; D96-K99 PolarHBondContact O-N 3.26Å; D96-I100 WeakPolarHBondContact O-CG1 3.35Å; D96-I100 PolarHBondContact O-N 3.36Å
97E90.5Very high93.6Very high2 Ų239.7 Ų39.71%0.00918%0.18CC..G310 helixtrans-40.5-41.6174.2170.2-161.1124.100113.3T2 K99 I100 H236 H239 F240T2-E97 WeakPolarHBondContact CB-OE2 3.14Å; T2-E97 PolarHBondContact O-N 2.94Å; E97-K99 VanDerWaalsContact C-N 3.34Å; E97-K99 PolarHBondContact O-N 2.82Å; E97-I100 VanDerWaalsContact O-CD1 3.29Å; E97-I100 WeakPolarHBondContact O-CD1 3.34Å; E97-I100 WeakPolarHBondContact O-CG1 3.26Å; E97-H236 IonicContact OE1-CE1 3.61Å; E97-H236 IonicContact OE1-ND1 3.35Å; E97-H236 IonicContact OE2-CE1 3.21Å; E97-H236 PolarHBondContact OE2-CE1 3.26Å; E97-H236 IonicContact OE2-ND1 3.85Å; E97-H236 IonicContact OE2-NE2 3.5Å; E97-H236 PolarHBondContact OE2-NE2 3.22Å; E97-H239 IonicContact OE1-CE1 2.81Å; E97-H239 IonicContact OE1-ND1 2.69Å; E97-H239 PolarHBondContact OE1-ND1 3.07Å; E97-F240 HydrophobicContact CG-CD2 4.24Å
98R89.8Confident93.3Very high155 Ų15541.5 Ų41.559%0.58519%0.192SC*.G310 helixtrans-89.80.4-169-59.6-178.5177.9-163.5-3.4114D96D96-R98 PolarHBondContact O-N 3.4Å; D96-R98 PolarHBondContact OD1-N 2.92Å
99K92.6Very high93.3Very high90 Ų9041.3 Ų41.339%0.39119%0.191SC..G310 helixtrans-139.726.3-173.6-64.1-167.8163.5-68.10112.4D96 E97 E101 E102 T103D96-K99 HydrophobicContact CB-CB 4.46Å; D96-K99 PolarHBondContact O-N 3.26Å; E97-K99 VanDerWaalsContact C-N 3.34Å; E97-K99 PolarHBondContact O-N 2.82Å; K99-E101 PolarHBondContact O-N 2.93Å; K99-E102 HydrophobicContact CB-CB 4.42Å; K99-E102 WeakPolarHBondContact CD-OE2 3.43Å; K99-E102 WeakPolarHBondContact CE-OE2 3.41Å; K99-E102 IonicContact NZ-OE1 2.77Å; K99-E102 PolarHBondContact NZ-OE1 3.14Å; K99-E102 IonicContact NZ-OE2 2.72Å; K99-E102 PolarHBondContact NZ-OE2 3.48Å; K99-T103 WeakPolarHBondContact O-CB 3.49Å; K99-T103 PolarHBondContact O-N 2.74Å; K99-T103 PolarHBondContact O-OG1 3.44Å
100I92.9Very high93.3Very high5 Ų544 Ų443%0.02621%0.205CC..Hα-helixtrans-59.7-48.6-175.7-63.5164.7000110.8V4 L95 D96 E97 L104 I144 L175 T243 L244 T247V4-I100 HydrophobicContact CG2-CD1 3.88Å; V4-I100 HydrophobicContact CG2-CG1 4.04Å; L95-I100 HydrophobicContact CD1-CG2 4.24Å; D96-I100 WeakPolarHBondContact O-CG1 3.35Å; D96-I100 PolarHBondContact O-N 3.36Å; E97-I100 VanDerWaalsContact O-CD1 3.29Å; E97-I100 WeakPolarHBondContact O-CD1 3.34Å; E97-I100 WeakPolarHBondContact O-CG1 3.26Å; I100-L104 HydrophobicContact CG2-CD1 3.91Å; I100-L104 VanDerWaalsContact O-CB 3.3Å; I100-L104 WeakPolarHBondContact O-CB 3.27Å; I100-L104 WeakPolarHBondContact O-CG 3.45Å; I100-L104 PolarHBondContact O-N 3.49Å; I100-I144 HydrophobicContact CG2-CD1 4.24Å; I100-L175 HydrophobicContact CD1-CD1 4.35Å; I100-L175 HydrophobicContact CD1-CD2 4.33Å; I100-L175 HydrophobicContact CG2-CD1 4.39Å; I100-L175 HydrophobicContact CG2-CD2 4.46Å; I100-T243 HydrophobicContact CD1-CG2 4.28Å; I100-L244 HydrophobicContact CD1-CD2 3.24Å; I100-T247 HydrophobicContact CG2-CG2 4.14Å
101E91Very high93.3Very high92 Ų9241.1 Ų41.143%0.4319%0.193SC..Hα-helixtrans-67-60.4179.1-167.9156.5-138.100111.6K99 T103 L104 E105 I144K99-E101 PolarHBondContact O-N 2.93Å; E101-T103 PolarHBondContact O-N 2.72Å; E101-T103 VanDerWaalsContact O-N 3.09Å; E101-L104 PolarHBondContact O-N 2.92Å; E101-E105 PolarHBondContact O-N 3.26Å; E101-I144 HydrophobicContact CB-CD1 4.11Å; E101-I144 HydrophobicContact CG-CD1 4.27Å
102E92.3Very high93.4Very high96 Ų9641.7 Ų41.745%0.44920%0.197SC..Hα-helixtrans-44.5-47.2173.8-63.5180-161.400112.8K99 E106K99-E102 HydrophobicContact CB-CB 4.42Å; K99-E102 WeakPolarHBondContact CD-OE2 3.43Å; K99-E102 WeakPolarHBondContact CE-OE2 3.41Å; K99-E102 IonicContact NZ-OE1 2.77Å; K99-E102 PolarHBondContact NZ-OE1 3.14Å; K99-E102 IonicContact NZ-OE2 2.72Å; K99-E102 PolarHBondContact NZ-OE2 3.48Å; E102-E106 VanDerWaalsContact O-CB 3.24Å; E102-E106 WeakPolarHBondContact O-CB 3.45Å; E102-E106 WeakPolarHBondContact O-CG 3.39Å; E102-E106 PolarHBondContact O-N 3.45Å
103T93.1Very high93.4Very high25 Ų2540.3 Ų40.315%0.15319%0.191CC..Hα-helixtrans-74.5-37-175.3-51.40000111.5I40 L95 K99 E101 I107I40-T103 HydrophobicContact CG1-CG2 4.41Å; L95-T103 HydrophobicContact CD2-CG2 3.75Å; K99-T103 WeakPolarHBondContact O-CB 3.49Å; K99-T103 PolarHBondContact O-N 2.74Å; K99-T103 PolarHBondContact O-OG1 3.44Å; E101-T103 PolarHBondContact O-N 2.72Å; E101-T103 VanDerWaalsContact O-N 3.09Å; T103-I107 HydrophobicContact CG2-CD1 4.06Å; T103-I107 HydrophobicContact CG2-CG1 4.41Å; T103-I107 VanDerWaalsContact O-CD1 3.32Å; T103-I107 WeakPolarHBondContact O-CD1 3.39Å; T103-I107 WeakPolarHBondContact O-CG1 3.28Å; T103-I107 PolarHBondContact O-N 2.97Å; T103-I107 VanDerWaalsContact O-N 3.08Å
104L92.3Very high93.5Very high0 Ų040.6 Ų40.60%019%0.194CC..Hα-helixtrans-68.7-34.6178.6-83.5167.1000112.2V8 M93 L95 I100 E101 F109 I144V8-L104 HydrophobicContact CG2-CD2 3.71Å; M93-L104 HydrophobicContact CE-CD2 3.98Å; M93-L104 HydrophobicContact SD-CD2 3.56Å; M93-L104 VanDerWaalsContact SD-CD2 3.56Å; L95-L104 HydrophobicContact CD1-CD1 4.06Å; L95-L104 HydrophobicContact CD1-CD2 4.39Å; L95-L104 HydrophobicContact CD1-CG 3.9Å; I100-L104 HydrophobicContact CG2-CD1 3.91Å; I100-L104 VanDerWaalsContact O-CB 3.3Å; I100-L104 WeakPolarHBondContact O-CB 3.27Å; I100-L104 WeakPolarHBondContact O-CG 3.45Å; I100-L104 PolarHBondContact O-N 3.49Å; E101-L104 PolarHBondContact O-N 2.92Å; L104-F109 HydrophobicContact CD2-CZ 4.15Å; L104-I144 HydrophobicContact CB-CD1 4.25Å; L104-I144 HydrophobicContact CB-CG1 4.2Å; L104-I144 HydrophobicContact CD1-CD1 3.62Å; L104-I144 HydrophobicContact CD1-CG1 3.94Å
105E89.3Confident93.7Very high99 Ų9940.2 Ų40.246%0.46319%0.192SC..Hα-helixtrans-80.7-32.3176-57.2-163145.700112.3E101 I107 S143E101-E105 PolarHBondContact O-N 3.26Å; E105-I107 VanDerWaalsContact C-N 3.27Å; E105-I107 PolarHBondContact O-N 2.92Å; E105-S143 WeakPolarHBondContact OE1-CA 3.17Å; E105-S143 WeakPolarHBondContact OE1-CB 3.48Å; E105-S143 PolarHBondContact OE1-OG 2.87Å
106E89.9Confident93.8Very high117 Ų11741 Ų4155%0.54720%0.196SC..Hα-helixtrans-71.4-12.1169.3-83.5-160.5-17500114.4R39 E102 S108R39-E106 IonicContact CZ-OE2 3.63Å; R39-E106 VanDerWaalsContact CZ-OE2 3.24Å; R39-E106 IonicContact NH1-OE2 3.51Å; R39-E106 PolarHBondContact NH1-OE2 2.89Å; R39-E106 PolarHBondContact NH2-O 3.42Å; R39-E106 IonicContact NH2-OE2 3.2Å; R39-E106 PolarHBondContact NH2-OE2 3.31Å; E102-E106 VanDerWaalsContact O-CB 3.24Å; E102-E106 WeakPolarHBondContact O-CB 3.45Å; E102-E106 WeakPolarHBondContact O-CG 3.39Å; E102-E106 PolarHBondContact O-N 3.45Å; E106-S108 PolarHBondContact O-N 3.06Å
107I92.4Very high93.9Very high4 Ų439.7 Ų39.72%0.02119%0.188CC..  trans-76.3111.2-179.9-78.9161.6000110I40 M93 L95 T103 E105 F109I40-I107 HydrophobicContact CD1-CD1 3.76Å; I40-I107 HydrophobicContact CD1-CG1 3.52Å; I40-I107 HydrophobicContact CG1-CD1 4.37Å; M93-I107 HydrophobicContact CE-CD1 4.44Å; M93-I107 HydrophobicContact SD-CD1 3.77Å; L95-I107 HydrophobicContact CD2-CD1 4.49Å; T103-I107 HydrophobicContact CG2-CD1 4.06Å; T103-I107 HydrophobicContact CG2-CG1 4.41Å; T103-I107 VanDerWaalsContact O-CD1 3.32Å; T103-I107 WeakPolarHBondContact O-CD1 3.39Å; T103-I107 WeakPolarHBondContact O-CG1 3.28Å; T103-I107 PolarHBondContact O-N 2.97Å; T103-I107 VanDerWaalsContact O-N 3.08Å; E105-I107 VanDerWaalsContact C-N 3.27Å; E105-I107 PolarHBondContact O-N 2.92Å; I107-F109 VanDerWaalsContact C-N 3.31Å; I107-F109 HydrophobicContact CB-CD2 4.23Å; I107-F109 HydrophobicContact CB-CE2 3.83Å; I107-F109 HydrophobicContact CB-CZ 4.1Å; I107-F109 HydrophobicContact CG2-CD1 3.78Å; I107-F109 HydrophobicContact CG2-CD2 3.59Å; I107-F109 HydrophobicContact CG2-CE1 3.71Å; I107-F109 HydrophobicContact CG2-CE2 3.49Å; I107-F109 VanDerWaalsContact CG2-CE2 3.49Å; I107-F109 HydrophobicContact CG2-CG 3.73Å; I107-F109 HydrophobicContact CG2-CZ 3.56Å; I107-F109 VanDerWaalsContact O-CD2 3.27Å; I107-F109 WeakPolarHBondContact O-CD2 3.44Å; I107-F109 PolarHBondContact O-N 3.47Å
108S90.7Very high93.9Very high37 Ų3740.5 Ų40.526%0.25919%0.193SC..  trans-70.288.3162.464.30000109.8P37 E106 L110P37-S108 WeakPolarHBondContact CD-O 3.41Å; P37-S108 VanDerWaalsContact CG-OG 3.25Å; P37-S108 WeakPolarHBondContact CG-OG 3.16Å; E106-S108 PolarHBondContact O-N 3.06Å; S108-L110 PolarHBondContact O-N 3.45Å
109F97.3Very high93.7Very high0 Ų039.6 Ų39.60%020%0.2CC..EExtended strand (participates in β ladder)trans-67.5120.3165.8-62.4-85.6000108.1V8 F10 M34 I36 V91 M93 L104 I107 L140 Y142V8-F109 HydrophobicContact CG2-CZ 4.45Å; F10-F109 HydrophobicContact CE1-CB 4.36Å; F10-F109 HydrophobicContact CE1-CD1 4.46Å; F10-F109 HydrophobicContact CE1-CG 4.27Å; F10-F109 AromaticContact CE2-CD1 3.69Å; F10-F109 HydrophobicContact CE2-CD1 3.69Å; F10-F109 AromaticContact CE2-CE1 3.77Å; F10-F109 HydrophobicContact CE2-CE1 3.77Å; F10-F109 HydrophobicContact CE2-CG 4.29Å; F10-F109 HydrophobicContact CE2-CZ 4.44Å; F10-F109 HydrophobicContact CZ-CB 4.06Å; F10-F109 AromaticContact CZ-CD1 3.41Å; F10-F109 HydrophobicContact CZ-CD1 3.41Å; F10-F109 VanDerWaalsContact CZ-CD1 3.41Å; F10-F109 AromaticContact CZ-CD2 3.94Å; F10-F109 HydrophobicContact CZ-CD2 3.94Å; F10-F109 AromaticContact CZ-CE1 3.71Å; F10-F109 HydrophobicContact CZ-CE1 3.71Å; F10-F109 HydrophobicContact CZ-CE2 4.22Å; F10-F109 AromaticContact CZ-CG 3.53Å; F10-F109 HydrophobicContact CZ-CG 3.53Å; F10-F109 HydrophobicContact CZ-CZ 4.1Å; M34-F109 HydrophobicContact SD-CB 4.3Å; I36-F109 HydrophobicContact CG1-CD1 4.23Å; I36-F109 HydrophobicContact CG1-CE1 4.5Å; V91-F109 HydrophobicContact CG1-CE1 4.26Å; M93-F109 HydrophobicContact CE-CE1 3.73Å; M93-F109 HydrophobicContact CE-CZ 3.87Å; L104-F109 HydrophobicContact CD2-CZ 4.15Å; I107-F109 VanDerWaalsContact C-N 3.31Å; I107-F109 HydrophobicContact CB-CD2 4.23Å; I107-F109 HydrophobicContact CB-CE2 3.83Å; I107-F109 HydrophobicContact CB-CZ 4.1Å; I107-F109 HydrophobicContact CG2-CD1 3.78Å; I107-F109 HydrophobicContact CG2-CD2 3.59Å; I107-F109 HydrophobicContact CG2-CE1 3.71Å; I107-F109 HydrophobicContact CG2-CE2 3.49Å; I107-F109 VanDerWaalsContact CG2-CE2 3.49Å; I107-F109 HydrophobicContact CG2-CG 3.73Å; I107-F109 HydrophobicContact CG2-CZ 3.56Å; I107-F109 VanDerWaalsContact O-CD2 3.27Å; I107-F109 WeakPolarHBondContact O-CD2 3.44Å; I107-F109 PolarHBondContact O-N 3.47Å; F109-L140 HydrophobicContact CB-CB 4.07Å; F109-L140 PolarHBondContact O-N 3.19Å; F109-Y142 HydrophobicContact CE2-CD1 4.14Å; F109-Y142 HydrophobicContact CE2-CG 4.15Å
110L97.8Very high93Very high56 Ų5637 Ų3729%0.29320%0.199SC..EExtended strand (participates in β ladder)trans-114.8107.3-175.1-62.5-178.5000110.7K35 S108 T137 L138 K139K35-L110 HydrophobicContact CB-CB 4.18Å; K35-L110 PolarHBondContact N-O 3.5Å; K35-L110 PolarHBondContact O-N 3.02Å; S108-L110 PolarHBondContact O-N 3.45Å; L110-T137 HydrophobicContact CB-CG2 3.85Å; L110-T137 HydrophobicContact CD2-CG2 4.19Å; L110-T137 HydrophobicContact CG-CG2 4.4Å; L110-L138 WeakPolarHBondContact CA-O 3.12Å; L110-K139 HydrophobicContact CD2-CB 3.92Å; L110-K139 HydrophobicContact CD2-CG 4.16Å
111L98.4Very high91.7Very high0 Ų045.2 Ų45.20%024%0.242CC..EExtended strand (participates in β ladder)trans-89.2105.4173.2173.460.2000109.2V12 A32 M34 F89 L113 T137 L138 L140 V168V12-L111 HydrophobicContact CB-CD2 4.48Å; V12-L111 HydrophobicContact CG1-CD2 3.67Å; V12-L111 HydrophobicContact CG2-CD2 3.92Å; A32-L111 HydrophobicContact CB-CD1 4.27Å; M34-L111 HydrophobicContact CE-CB 4.37Å; M34-L111 HydrophobicContact SD-CB 4.41Å; F89-L111 HydrophobicContact CE2-CD1 4.35Å; L111-L113 HydrophobicContact CD1-CD2 4.08Å; L111-L113 HydrophobicContact CD2-CD2 4.44Å; L111-L113 HydrophobicContact CG-CD2 4.11Å; L111-L113 HydrophobicContact CG-CG 4.33Å; L111-T137 WeakPolarHBondContact O-CA 3.38Å; L111-L138 HydrophobicContact CB-CB 4.4Å; L111-L138 HydrophobicContact CD2-CD1 4.18Å; L111-L138 PolarHBondContact N-O 2.97Å; L111-L138 PolarHBondContact O-N 3.47Å; L111-L140 HydrophobicContact CB-CD1 4.01Å; L111-L140 HydrophobicContact CB-CG 4.31Å; L111-V168 HydrophobicContact CD2-CG2 4.37Å
112S97.9Very high90.6Very high12 Ų1241.9 Ų41.98%0.08423%0.226CC..EExtended strand (participates in β ladder)trans-89.1124.7172.6-69.50000110.8A32 S33 K35 R136 T137A32-S112 WeakPolarHBondContact CA-O 3.28Å; S33-S112 PolarHBondContact N-O 2.91Å; S33-S112 PolarHBondContact O-N 2.94Å; K35-S112 PolarHBondContact NZ-OG 3.41Å; S112-R136 WeakPolarHBondContact CA-O 3.39Å; S112-T137 PolarHBondContact OG-OG1 3.27Å
113L98.3Very high89.4Confident1 Ų140.4 Ų40.41%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-110.8120.8173.7-58.4177.9000108.9R31 A32 L111 S135 R136 L138 V154 V164 V166R31-L113 WeakPolarHBondContact O-CA 3.44Å; A32-L113 HydrophobicContact CB-CD2 3.67Å; L111-L113 HydrophobicContact CD1-CD2 4.08Å; L111-L113 HydrophobicContact CD2-CD2 4.44Å; L111-L113 HydrophobicContact CG-CD2 4.11Å; L111-L113 HydrophobicContact CG-CG 4.33Å; L113-S135 CarbonylContact O-C 3.54Å; L113-S135 VanDerWaalsContact O-CA 3.24Å; L113-S135 WeakPolarHBondContact O-CA 3.24Å; L113-S135 WeakPolarHBondContact O-CB 3.38Å; L113-R136 PolarHBondContact N-O 3.27Å; L113-R136 PolarHBondContact O-N 3.32Å; L113-L138 HydrophobicContact CD1-CD1 4.05Å; L113-V154 HydrophobicContact CD1-CG1 4.43Å; L113-V154 HydrophobicContact CD1-CG2 4.37Å; L113-V164 HydrophobicContact CD1-CG1 4.39Å; L113-V166 HydrophobicContact CD1-CG2 3.83Å
114G97.6Very high88Confident6 Ų641.3 Ų41.36%0.06224%0.236CC..EExtended strand (participates in β ladder)trans-114.3121.6177.100000111.9I30 R31 H116 S134I30-G114 WeakPolarHBondContact CA-O 3.49Å; R31-G114 PolarHBondContact N-O 3.45Å; R31-G114 PolarHBondContact O-N 3.16Å; G114-H116 PolarHBondContact O-CE1 2.84Å; G114-H116 PolarHBondContact O-ND1 3.03Å; G114-S134 CarbonylContact C-O 3.36Å; G114-S134 WeakPolarHBondContact CA-O 3.29Å
115L97.4Very high86.8Confident0 Ų048.7 Ų48.70%028%0.276CS..EExtended strand (participates in β ladder)trans-79.8121.5169.5-17466.4000108.7F17 L22 Y28 I30 I133 S134 F156F17-L115 HydrophobicContact CE2-CD1 3.91Å; F17-L115 HydrophobicContact CZ-CD1 4.04Å; F17-L115 HydrophobicContact CZ-CD2 4.43Å; L22-L115 HydrophobicContact CD2-CD2 4.31Å; Y28-L115 HydrophobicContact CD1-CD1 3.97Å; Y28-L115 HydrophobicContact CD1-CD2 4.32Å; Y28-L115 HydrophobicContact CD1-CG 4.14Å; Y28-L115 HydrophobicContact CE1-CD2 4.41Å; I30-L115 HydrophobicContact CG1-CD1 4.14Å; L115-I133 HydrophobicContact CB-CG1 4.36Å; L115-I133 HydrophobicContact CD2-CD1 3.79Å; L115-I133 HydrophobicContact CD2-CG1 4.31Å; L115-I133 HydrophobicContact CG-CD1 3.97Å; L115-I133 HydrophobicContact CG-CG1 4.12Å; L115-I133 WeakPolarHBondContact O-CG1 3.5Å; L115-I133 PolarHBondContact O-N 3.12Å; L115-S134 PolarHBondContact N-O 3.29Å; L115-S134 PolarHBondContact O-N 3.09Å; L115-F156 HydrophobicContact CB-CD1 3.67Å; L115-F156 HydrophobicContact CB-CD2 4.17Å; L115-F156 HydrophobicContact CB-CE1 3.65Å; L115-F156 HydrophobicContact CB-CE2 4.13Å; L115-F156 HydrophobicContact CB-CG 3.95Å; L115-F156 HydrophobicContact CB-CZ 3.88Å; L115-F156 HydrophobicContact CD1-CE2 4.3Å; L115-F156 HydrophobicContact CD2-CB 4.38Å; L115-F156 HydrophobicContact CD2-CD2 4.02Å; L115-F156 HydrophobicContact CD2-CG 4.06Å; L115-F156 HydrophobicContact CG-CD2 4.49Å
116H95.4Very high86.2Confident22 Ų2247.4 Ų47.410%0.10227%0.272CS..EExtended strand (participates in β ladder)trans-114148.3177.9-61.765.2000110.1Y28 Q29 R31 G114 L130 Q131 L132Y28-H116 VanDerWaalsContact CA-O 3.3Å; Y28-H116 WeakPolarHBondContact CA-O 3.29Å; Q29-H116 PolarHBondContact N-O 3.21Å; Q29-H116 PolarHBondContact O-N 3.47Å; R31-H116 PolarHBondContact NH1-CD2 3.46Å; R31-H116 VanDerWaalsContact NH1-CD2 3.31Å; G114-H116 PolarHBondContact O-CE1 2.84Å; G114-H116 PolarHBondContact O-ND1 3.03Å; H116-L130 HydrophobicContact CB-CB 3.78Å; H116-L130 HydrophobicContact CB-CD2 4.46Å; H116-Q131 CarbonylContact C-O 3.54Å; H116-Q131 WeakPolarHBondContact CA-O 3.43Å; H116-L132 VanDerWaalsContact CE1-CD1 3.43Å; H116-L132 WeakPolarHBondContact CE1-CD1 3.46Å
117F94.4Very high85.4Confident15 Ų1544.2 Ų44.27%0.06626%0.258CS..EExtended strand (participates in β ladder)trans-137.2151.1-175.6172.6-102.8000112.5Q24 R25 F27 Y28 D119 L130 Q131 I133Q24-F117 HydrophobicContact CB-CE1 4.01Å; Q24-F117 HydrophobicContact CB-CE2 4.05Å; Q24-F117 HydrophobicContact CB-CZ 3.65Å; Q24-F117 VanDerWaalsContact OE1-CD1 3.22Å; R25-F117 WeakPolarHBondContact O-CZ 3.32Å; F27-F117 CarbonylContact O-C 3.53Å; F27-F117 WeakPolarHBondContact O-CA 3.21Å; F27-F117 WeakPolarHBondContact O-CD2 3.46Å; Y28-F117 HydrophobicContact CD1-CB 4.12Å; Y28-F117 AromaticContact CD1-CD2 3.96Å; Y28-F117 HydrophobicContact CD1-CD2 3.96Å; Y28-F117 AromaticContact CD2-CD2 3.88Å; Y28-F117 HydrophobicContact CD2-CD2 3.88Å; Y28-F117 HydrophobicContact CD2-CE2 4.31Å; Y28-F117 HydrophobicContact CE1-CB 3.91Å; Y28-F117 AromaticContact CE1-CD2 3.52Å; Y28-F117 HydrophobicContact CE1-CD2 3.52Å; Y28-F117 HydrophobicContact CE1-CE2 4.42Å; Y28-F117 HydrophobicContact CE1-CG 4.04Å; Y28-F117 AromaticContact CE2-CD2 3.43Å; Y28-F117 HydrophobicContact CE2-CD2 3.43Å; Y28-F117 VanDerWaalsContact CE2-CD2 3.43Å; Y28-F117 AromaticContact CE2-CE2 3.63Å; Y28-F117 HydrophobicContact CE2-CE2 3.63Å; Y28-F117 HydrophobicContact CG-CD2 4.13Å; Y28-F117 AromaticContact CZ-CD2 3.22Å; Y28-F117 AromaticContact CZ-CE2 3.69Å; F117-D119 HydrophobicContact CE1-CB 3.94Å; F117-D119 HydrophobicContact CZ-CB 3.82Å; F117-L130 CarbonylContact O-C 3.57Å; F117-L130 VanDerWaalsContact O-CA 3.31Å; F117-L130 WeakPolarHBondContact O-CA 3.33Å; F117-Q131 PolarHBondContact N-O 2.85Å; F117-Q131 PolarHBondContact O-N 3.23Å; F117-I133 HydrophobicContact CB-CD1 3.73Å; F117-I133 HydrophobicContact CB-CG1 4.07Å; F117-I133 HydrophobicContact CB-CG2 3.94Å
118T91.9Very high84.8Confident18 Ų1850.8 Ų50.811%0.1129%0.294CS..EExtended strand (participates in β ladder)trans-150.1143.7163.5-164.90000111.6F27 Y122 A129 L130F27-T118 HydrophobicContact CB-CG2 4.02Å; F27-T118 PolarHBondContact N-O 2.76Å; F27-T118 PolarHBondContact O-N 2.97Å; T118-Y122 HydrophobicContact CG2-CD2 4.49Å; T118-Y122 HydrophobicContact CG2-CG 4.3Å; T118-A129 WeakPolarHBondContact CB-O 3.4Å; T118-A129 PolarHBondContact OG1-O 3.38Å; T118-L130 HydrophobicContact CG2-CD2 4.05Å; T118-L130 HydrophobicContact CG2-CG 3.85Å
119D85.5Confident84.5Confident137 Ų13750.7 Ų50.773%0.73330%0.295SS*.  trans-99-11.2178.162.9-23.1000113.6F117F117-D119 HydrophobicContact CE1-CB 3.94Å; F117-D119 HydrophobicContact CZ-CB 3.82Å
120G76.2Confident84Confident36 Ų3651 Ų5137%0.37130%0.297SS..SBendtrans-95.7-173.4-176.100000115.8Y122G120-Y122 PolarHBondContact O-N 3.41Å
121D67.5Low83.8Confident176 Ų17655.2 Ų55.294%0.94132%0.315SS*.  trans-66.986.5175.9-68.2-45.8000111.3S123D121-S123 PolarHBondContact O-N 3.15Å
122Y66.4Low83.7Confident23 Ų2359.3 Ų59.39%0.0934%0.337CS..  trans-69.6124.5-179.1177.3-125.7000112.5F58 T71 T118 G120 A124 A129 L130F58-Y122 HydrophobicContact CB-CE1 4.39Å; F58-Y122 AromaticContact CD2-CD1 3.47Å; F58-Y122 HydrophobicContact CD2-CD1 3.47Å; F58-Y122 VanDerWaalsContact CD2-CD1 3.47Å; F58-Y122 AromaticContact CD2-CE1 3.47Å; F58-Y122 HydrophobicContact CD2-CE1 3.47Å; F58-Y122 VanDerWaalsContact CD2-CE1 3.47Å; F58-Y122 AromaticContact CE2-CD1 3.4Å; F58-Y122 HydrophobicContact CE2-CD1 3.4Å; F58-Y122 VanDerWaalsContact CE2-CD1 3.4Å; F58-Y122 AromaticContact CE2-CE1 3.85Å; F58-Y122 HydrophobicContact CE2-CE1 3.85Å; F58-Y122 HydrophobicContact CE2-CG 4.39Å; F58-Y122 HydrophobicContact CG-CD1 4.34Å; F58-Y122 AromaticContact CG-CE1 3.92Å; F58-Y122 HydrophobicContact CG-CE1 3.92Å; F58-Y122 HydrophobicContact CZ-CD1 4.22Å; F58-Y122 WeakPolarHBondContact CZ-O 3.37Å; T71-Y122 HydrophobicContact CG2-CD1 3.91Å; T71-Y122 HydrophobicContact CG2-CE1 3.84Å; T118-Y122 HydrophobicContact CG2-CD2 4.49Å; T118-Y122 HydrophobicContact CG2-CG 4.3Å; G120-Y122 PolarHBondContact O-N 3.41Å; Y122-A124 PolarHBondContact OH-O 3.34Å; Y122-A129 HydrophobicContact CD2-CB 4.15Å; Y122-A129 HydrophobicContact CE2-CB 4.47Å; Y122-L130 HydrophobicContact CD2-CD1 3.79Å; Y122-L130 HydrophobicContact CD2-CG 4.43Å; Y122-L130 HydrophobicContact CE1-CD1 4.36Å; Y122-L130 HydrophobicContact CE2-CD1 3.34Å; Y122-L130 HydrophobicContact CE2-CG 4.41Å
123S67.1Low83.5Confident64 Ų6460.5 Ų60.545%0.44834%0.341SS..  trans-105132.6166.9-176.80000110.4D121 D125 D126D121-S123 PolarHBondContact O-N 3.15Å; S123-D125 PolarHBondContact O-N 3.26Å; S123-D126 PolarHBondContact O-N 3.23Å
124A64.3Low83.5Confident45 Ų4560.8 Ų60.837%0.37234%0.344SS..THydrogen-bonded Turntrans-50.4-35.7-17700000114.2F58 Y122 D126F58-A124 HydrophobicContact CD1-CB 3.69Å; F58-A124 HydrophobicContact CE1-CB 3.98Å; F58-A124 HydrophobicContact CG-CB 4.46Å; Y122-A124 PolarHBondContact OH-O 3.34Å; A124-D126 PolarHBondContact O-N 2.9Å
125D67Low83.4Confident155 Ų15563.3 Ų63.383%0.82936%0.36SS*.THydrogen-bonded Turntrans-75.9-15-170-61.4-34.2000114.5S123S123-D125 PolarHBondContact O-N 3.26Å
126D75.7Confident83.4Confident72 Ų7265 Ų6539%0.38537%0.367SS..  trans-106.499.9177.7-170.410.9000113S123 A124 N128 A129S123-D126 PolarHBondContact O-N 3.23Å; A124-D126 PolarHBondContact O-N 2.9Å; D126-N128 PolarHBondContact O-N 3.19Å; D126-N128 VanDerWaalsContact OD1-CB 3.29Å; D126-N128 WeakPolarHBondContact OD1-CB 3.42Å; D126-N128 PolarHBondContact OD1-N 3.47Å; D126-N128 PolarHBondContact OD1-ND2 2.92Å; D126-A129 HydrophobicContact CB-CB 4.11Å; D126-A129 WeakPolarHBondContact O-CB 3.44Å; D126-A129 PolarHBondContact O-N 3.36Å
127L74.6Confident83.5Confident49 Ų4966 Ų6626%0.25737%0.374SS..G310 helixtrans-59.1-24.8171.7-78.3166000113.9R31 H63R31-L127 VanDerWaalsContact CZ-O 3.3Å; R31-L127 PolarHBondContact NH1-O 3.11Å; R31-L127 PolarHBondContact NH2-O 2.87Å; H63-L127 HydrophobicContact CB-CD1 4.3Å
128N79.6Confident83.7Confident143 Ų14365.3 Ų65.377%0.76537%0.372SS*.G310 helixtrans-85-13.1-177-47.2-80.9000112.3D126 L130D126-N128 PolarHBondContact O-N 3.19Å; D126-N128 VanDerWaalsContact OD1-CB 3.29Å; D126-N128 WeakPolarHBondContact OD1-CB 3.42Å; D126-N128 PolarHBondContact OD1-N 3.47Å; D126-N128 PolarHBondContact OD1-ND2 2.92Å; N128-L130 PolarHBondContact O-N 3.43Å
129A83.2Confident83.9Confident35 Ų3568 Ų6829%0.28938%0.381SS..G310 helixtrans-70-16.2179.400000113.9T118 Y122 D126T118-A129 WeakPolarHBondContact CB-O 3.4Å; T118-A129 PolarHBondContact OG1-O 3.38Å; Y122-A129 HydrophobicContact CD2-CB 4.15Å; Y122-A129 HydrophobicContact CE2-CB 4.47Å; D126-A129 HydrophobicContact CB-CB 4.11Å; D126-A129 WeakPolarHBondContact O-CB 3.44Å; D126-A129 PolarHBondContact O-N 3.36Å
130L88.8Confident84.5Confident5 Ų561.4 Ų61.43%0.02635%0.347CS..SBendtrans-105.2123.3167.9-55.9102000111.4Q29 H116 F117 T118 Y122 N128Q29-L130 HydrophobicContact CB-CD2 3.92Å; H116-L130 HydrophobicContact CB-CB 3.78Å; H116-L130 HydrophobicContact CB-CD2 4.46Å; F117-L130 CarbonylContact O-C 3.57Å; F117-L130 VanDerWaalsContact O-CA 3.31Å; F117-L130 WeakPolarHBondContact O-CA 3.33Å; T118-L130 HydrophobicContact CG2-CD2 4.05Å; T118-L130 HydrophobicContact CG2-CG 3.85Å; Y122-L130 HydrophobicContact CD2-CD1 3.79Å; Y122-L130 HydrophobicContact CD2-CG 4.43Å; Y122-L130 HydrophobicContact CE1-CD1 4.36Å; Y122-L130 HydrophobicContact CE2-CD1 3.34Å; Y122-L130 HydrophobicContact CE2-CG 4.41Å; N128-L130 PolarHBondContact O-N 3.43Å
131Q92.6Very high85.4Confident145 Ų14561.9 Ų61.968%0.67834%0.339SS*.EExtended strand (participates in β ladder)trans-79.3136174.9177.1174.7-15.300110.6H116 F117 I133H116-Q131 CarbonylContact C-O 3.54Å; H116-Q131 WeakPolarHBondContact CA-O 3.43Å; F117-Q131 PolarHBondContact N-O 2.85Å; F117-Q131 PolarHBondContact O-N 3.23Å; Q131-I133 PolarHBondContact O-N 3.14Å
132L95.3Very high86.7Confident87 Ų8753.9 Ų53.946%0.45530%0.296SS..EExtended strand (participates in β ladder)trans-65.2117.1166.1179.372.8000109.4H116 S134H116-L132 VanDerWaalsContact CE1-CD1 3.43Å; H116-L132 WeakPolarHBondContact CE1-CD1 3.46Å; L132-S134 VanDerWaalsContact CD1-O 3.31Å; L132-S134 WeakPolarHBondContact CD1-O 3.44Å
133I95.6Very high87.9Confident36 Ų3654.1 Ų54.119%0.18530%0.301CS..EExtended strand (participates in β ladder)trans-104.9-31.3179.752.1160.7000112.8Y28 L115 F117 Q131 H160Y28-I133 HydrophobicContact CD1-CD1 4.29Å; Y28-I133 HydrophobicContact CE1-CD1 3.68Å; L115-I133 HydrophobicContact CB-CG1 4.36Å; L115-I133 HydrophobicContact CD2-CD1 3.79Å; L115-I133 HydrophobicContact CD2-CG1 4.31Å; L115-I133 HydrophobicContact CG-CD1 3.97Å; L115-I133 HydrophobicContact CG-CG1 4.12Å; L115-I133 WeakPolarHBondContact O-CG1 3.5Å; L115-I133 PolarHBondContact O-N 3.12Å; F117-I133 HydrophobicContact CB-CD1 3.73Å; F117-I133 HydrophobicContact CB-CG1 4.07Å; F117-I133 HydrophobicContact CB-CG2 3.94Å; Q131-I133 PolarHBondContact O-N 3.14Å; I133-H160 PolarHBondContact O-CE1 3.24Å
134S96.6Very high89.1Confident8 Ų851.3 Ų51.36%0.05628%0.28CS..EExtended strand (participates in β ladder)trans-150.4157.3178.4-170.30000111.6G114 L115 L132 F156 D157G114-S134 CarbonylContact C-O 3.36Å; G114-S134 WeakPolarHBondContact CA-O 3.29Å; L115-S134 PolarHBondContact N-O 3.29Å; L115-S134 PolarHBondContact O-N 3.09Å; L132-S134 VanDerWaalsContact CD1-O 3.31Å; L132-S134 WeakPolarHBondContact CD1-O 3.44Å; S134-F156 PolarHBondContact OG-O 3Å; S134-D157 WeakPolarHBondContact CB-OD2 3.47Å; S134-D157 PolarHBondContact OG-OD2 3.47Å
135S97.3Very high90.1Very high59 Ų5951.2 Ų51.241%0.41328%0.277SS..EExtended strand (participates in β ladder)trans-151.5155.8172.765.50000113.3L113L113-S135 CarbonylContact O-C 3.54Å; L113-S135 VanDerWaalsContact O-CA 3.24Å; L113-S135 WeakPolarHBondContact O-CA 3.24Å; L113-S135 WeakPolarHBondContact O-CB 3.38Å
136R97.5Very high91.2Very high35 Ų3550.7 Ų50.713%0.13226%0.263CS..EExtended strand (participates in β ladder)trans-132.1146171.4-73.5-73.2172.4-101.816.3109.1S112 L113 V154 M155 F156S112-R136 WeakPolarHBondContact CA-O 3.39Å; L113-R136 PolarHBondContact N-O 3.27Å; L113-R136 PolarHBondContact O-N 3.32Å; R136-V154 HydrophobicContact CB-CG1 3.72Å; R136-V154 HydrophobicContact CG-CG1 3.79Å; R136-M155 WeakPolarHBondContact CG-O 3.14Å; R136-M155 PolarHBondContact NE-O 3.32Å; R136-F156 PolarHBondContact NE-O 2.85Å; R136-F156 PolarHBondContact NH1-O 3.34Å; R136-F156 PolarHBondContact NH2-O 3.39Å
137T97.3Very high92.1Very high43 Ų4347.7 Ų47.726%0.26425%0.249SC..EExtended strand (participates in β ladder)trans-117.1124.3168-61.60000109L110 L111 S112 C421L110-T137 HydrophobicContact CB-CG2 3.85Å; L110-T137 HydrophobicContact CD2-CG2 4.19Å; L110-T137 HydrophobicContact CG-CG2 4.4Å; L111-T137 WeakPolarHBondContact O-CA 3.38Å; S112-T137 PolarHBondContact OG-OG1 3.27Å; T137-C421 PolarHBondContact O-SG 2.89Å; T137-C421 VanDerWaalsContact O-SG 3.4Å
138L97.8Very high93.2Very high1 Ų145.7 Ų45.71%0.00524%0.239CC..EExtended strand (participates in β ladder)trans-96.9127.1175.5-44.2-178.9000107.9L110 L111 L113 L140 V154 I419 C421L110-L138 WeakPolarHBondContact CA-O 3.12Å; L111-L138 HydrophobicContact CB-CB 4.4Å; L111-L138 HydrophobicContact CD2-CD1 4.18Å; L111-L138 PolarHBondContact N-O 2.97Å; L111-L138 PolarHBondContact O-N 3.47Å; L113-L138 HydrophobicContact CD1-CD1 4.05Å; L138-L140 HydrophobicContact CB-CD2 4.27Å; L138-V154 HydrophobicContact CD1-CG2 3.84Å; L138-V154 HydrophobicContact CD2-CG1 4.06Å; L138-V154 HydrophobicContact CD2-CG2 3.8Å; L138-V154 HydrophobicContact CG-CG2 4.43Å; L138-I419 HydrophobicContact CB-CG2 3.96Å; L138-I419 HydrophobicContact CD1-CG2 3.93Å; L138-I419 HydrophobicContact CG-CG2 4.36Å; L138-C421 HydrophobicContact CD2-CB 3.75Å
139K96.7Very high94Very high73 Ų7339.4 Ų39.432%0.31721%0.205SC..EExtended strand (participates in β ladder)trans-85.8120165.9-179.1-178.2166-160.50108L110 H141 E420L110-K139 HydrophobicContact CD2-CB 3.92Å; L110-K139 HydrophobicContact CD2-CG 4.16Å; K139-H141 WeakPolarHBondContact CE-CE1 3.46Å; K139-H141 WeakPolarHBondContact CE-NE2 3.31Å; K139-H141 PolarHBondContact NZ-CE1 3.21Å; K139-E420 HydrophobicContact CB-CB 4.45Å; K139-E420 PolarHBondContact N-O 3.17Å; K139-E420 IonicContact NZ-OE2 3.52Å; K139-E420 PolarHBondContact O-N 3.36Å
140L97.4Very high94.7Very high0 Ų038 Ų380%019%0.192CC..EExtended strand (participates in β ladder)trans-97.2116178.1-52.4179.1000107.6F10 M34 F109 L111 L138 L148 V168 I419F10-L140 HydrophobicContact CD1-CD1 3.78Å; F10-L140 HydrophobicContact CE1-CB 4.41Å; F10-L140 HydrophobicContact CE1-CD1 3.81Å; M34-L140 HydrophobicContact CE-CD1 3.72Å; M34-L140 HydrophobicContact SD-CD1 4.25Å; F109-L140 HydrophobicContact CB-CB 4.07Å; F109-L140 PolarHBondContact O-N 3.19Å; L111-L140 HydrophobicContact CB-CD1 4.01Å; L111-L140 HydrophobicContact CB-CG 4.31Å; L138-L140 HydrophobicContact CB-CD2 4.27Å; L140-L148 HydrophobicContact CB-CD2 3.68Å; L140-L148 HydrophobicContact CD2-CD2 4.26Å; L140-L148 HydrophobicContact CG-CD2 4.4Å; L140-V168 HydrophobicContact CD1-CG1 4.21Å; L140-V168 HydrophobicContact CD2-CG2 4.31Å; L140-I419 HydrophobicContact CD2-CB 4.46Å; L140-I419 HydrophobicContact CD2-CD1 4.44Å; L140-I419 HydrophobicContact CD2-CG1 3.92Å; L140-I419 HydrophobicContact CD2-CG2 4.1Å
141H94.9Very high95.2Very high46 Ų4638 Ų3821%0.21319%0.192CC..PPolyproline II helixtrans-92.6119176.4-62-110.9000107.7K139 P416 L417 P418 E420K139-H141 WeakPolarHBondContact CE-CE1 3.46Å; K139-H141 WeakPolarHBondContact CE-NE2 3.31Å; K139-H141 PolarHBondContact NZ-CE1 3.21Å; H141-P416 WeakPolarHBondContact CE1-CB 3.44Å; H141-L417 PolarHBondContact CD2-O 2.66Å; H141-P418 PolarHBondContact N-O 3.14Å; H141-E420 IonicContact CE1-OE2 2.71Å; H141-E420 PolarHBondContact CE1-OE2 3Å; H141-E420 IonicContact NE2-OE2 2.81Å; H141-E420 PolarHBondContact NE2-OE2 2.81Å
142Y94.9Very high95.4Very high8 Ų831.2 Ų31.23%0.03116%0.161CC..  trans-121.2135-168.8169.5-87.8000110V8 F109 I144 L148 A170 L172V8-Y142 HydrophobicContact CG1-CD2 4.19Å; V8-Y142 HydrophobicContact CG1-CE2 3.82Å; V8-Y142 HydrophobicContact CG2-CE1 4.36Å; F109-Y142 HydrophobicContact CE2-CD1 4.14Å; F109-Y142 HydrophobicContact CE2-CG 4.15Å; Y142-I144 HydrophobicContact CE1-CG1 4.26Å; Y142-L148 HydrophobicContact CD2-CB 4.26Å; Y142-A170 HydrophobicContact CD2-CB 4.17Å; Y142-A170 HydrophobicContact CE2-CB 4.36Å; Y142-L172 WeakPolarHBondContact OH-CB 3.47Å; Y142-L172 PolarHBondContact OH-N 3.46Å
143S92.4Very high95.4Very high28 Ų2830.8 Ų30.820%0.19616%0.159CC..BIsolated β-bridgetrans-119.5146.6171.4179.90000110.6E105 C145 G147E105-S143 WeakPolarHBondContact OE1-CA 3.17Å; E105-S143 WeakPolarHBondContact OE1-CB 3.48Å; E105-S143 PolarHBondContact OE1-OG 2.87Å; S143-C145 VanDerWaalsContact C-N 3.34Å; S143-G147 PolarHBondContact N-O 3.41Å; S143-G147 CarbonylContact O-C 3.57Å; S143-G147 WeakPolarHBondContact O-CA 3.49Å; S143-G147 PolarHBondContact O-N 2.87Å
144I90.8Very high95.5Very high4 Ų429.1 Ų29.12%0.02115%0.151CC..THydrogen-bonded Turntrans-65.3-41177.3-56.9-176.3000111I100 E101 L104 Y142 L172 T247 A251I100-I144 HydrophobicContact CG2-CD1 4.24Å; E101-I144 HydrophobicContact CB-CD1 4.11Å; E101-I144 HydrophobicContact CG-CD1 4.27Å; L104-I144 HydrophobicContact CB-CD1 4.25Å; L104-I144 HydrophobicContact CB-CG1 4.2Å; L104-I144 HydrophobicContact CD1-CD1 3.62Å; L104-I144 HydrophobicContact CD1-CG1 3.94Å; Y142-I144 HydrophobicContact CE1-CG1 4.26Å; I144-L172 HydrophobicContact CG2-CD2 4.32Å; I144-T247 HydrophobicContact CD1-CG2 3.77Å; I144-T247 HydrophobicContact CG2-CG2 3.83Å; I144-A251 HydrophobicContact CG2-CB 4.07Å
145C87.1Confident95.5Very high44 Ų4432 Ų3230%0.29716%0.164SC..THydrogen-bonded Turntrans-85.4-14.3-170-66.10000114S143 G254S143-C145 VanDerWaalsContact C-N 3.34Å; C145-G254 WeakPolarHBondContact O-CA 3.32Å
146R89.4Confident95.4Very high143 Ų14329.1 Ų29.154%0.5414%0.144SC..THydrogen-bonded Turntrans-120.3-10.2175.6-59-172.5-171.3-175.65.5113.9E514R146-E514 IonicContact CZ-OE1 3.65Å; R146-E514 IonicContact NH1-OE1 3.66Å; R146-E514 PolarHBondContact NH1-OE1 3.33Å; R146-E514 IonicContact NH2-OE1 2.77Å; R146-E514 PolarHBondContact NH2-OE1 2.8Å
147G95.1Very high95.1Very high9 Ų929 Ų299%0.09315%0.146CC..BIsolated β-bridgetrans65.2-145.6-166.600000111.7S143 A170S143-G147 PolarHBondContact N-O 3.41Å; S143-G147 CarbonylContact O-C 3.57Å; S143-G147 WeakPolarHBondContact O-CA 3.49Å; S143-G147 PolarHBondContact O-N 2.87Å; G147-A170 WeakPolarHBondContact CA-O 3.4Å
148L97.1Very high94.8Very high8 Ų835.6 Ų35.64%0.04217%0.168CC..EExtended strand (participates in β ladder)trans-143.8118.7160.8166.962.4000107.8L140 Y142 H150 V168 H169 A170 P418L140-L148 HydrophobicContact CB-CD2 3.68Å; L140-L148 HydrophobicContact CD2-CD2 4.26Å; L140-L148 HydrophobicContact CG-CD2 4.4Å; Y142-L148 HydrophobicContact CD2-CB 4.26Å; L148-H150 HydrophobicContact CD1-CB 3.99Å; L148-V168 HydrophobicContact CD2-CG1 4.25Å; L148-H169 CarbonylContact O-C 3.59Å; L148-H169 WeakPolarHBondContact O-CA 3.37Å; L148-A170 HydrophobicContact CB-CB 4.31Å; L148-A170 PolarHBondContact N-O 2.93Å; L148-A170 PolarHBondContact O-N 3.19Å; L148-P418 HydrophobicContact CD1-CB 3.59Å
149H97.3Very high94.5Very high10 Ų1042.6 Ų42.65%0.04620%0.198CC..EExtended strand (participates in β ladder)trans-135.497.4-179.9-58-41.8000108.4V168 H169 A170 Y258 F347 L361H149-V168 WeakPolarHBondContact CA-O 3.48Å; H149-H169 AromaticContact CG-ND1 3.66Å; H149-H169 AromaticContact ND1-CG 3.87Å; H149-H169 AromaticContact ND1-ND1 3.33Å; H149-H169 PolarHBondContact ND1-ND1 3.35Å; H149-A170 PolarHBondContact CE1-O 2.67Å; H149-Y258 HydrophobicContact CB-CD1 4.41Å; H149-Y258 HydrophobicContact CB-CE1 3.71Å; H149-Y258 HydrophobicContact CB-CE2 3.82Å; H149-Y258 WeakPolarHBondContact CB-OH 3.49Å; H149-Y258 AromaticContact CD2-CD1 3.22Å; H149-Y258 WeakPolarHBondContact CD2-CD1 3.36Å; H149-Y258 AromaticContact CD2-CD2 3.84Å; H149-Y258 AromaticContact CD2-CE1 3.41Å; H149-Y258 VanDerWaalsContact CD2-CE1 3.41Å; H149-Y258 WeakPolarHBondContact CD2-CE1 3.41Å; H149-Y258 AromaticContact CD2-CE2 3.98Å; H149-Y258 AromaticContact CD2-CG 3.48Å; H149-Y258 VanDerWaalsContact CD2-CG 3.48Å; H149-Y258 AromaticContact CD2-CZ 3.8Å; H149-Y258 AromaticContact CG-CD1 3.94Å; H149-Y258 AromaticContact CG-CE1 3.62Å; H149-Y258 AromaticContact CG-CZ 3.81Å; H149-Y258 AromaticContact NE2-CD1 3.89Å; H149-F347 AromaticContact CE1-CE1 3.74Å; H149-F347 AromaticContact CE1-CZ 3.82Å; H149-F347 AromaticContact ND1-CE1 3.99Å; H149-F347 AromaticContact ND1-CZ 3.95Å; H149-F347 AromaticContact NE2-CZ 3.96Å; H149-L361 WeakPolarHBondContact O-CD2 3.37Å
150H97.6Very high94.3Very high6 Ų641 Ų413%0.02819%0.192CC..EExtended strand (participates in β ladder)trans-153.6155.1-168.4-14672.7000113.4L148 V168 E364 H365 L368 P418 I419L148-H150 HydrophobicContact CD1-CB 3.99Å; H150-V168 PolarHBondContact N-O 2.95Å; H150-V168 PolarHBondContact O-N 3.5Å; H150-E364 VanDerWaalsContact CE1-CD 3.47Å; H150-E364 IonicContact CE1-OE1 3.15Å; H150-E364 PolarHBondContact CE1-OE1 3.25Å; H150-E364 IonicContact CE1-OE2 3.57Å; H150-E364 PolarHBondContact CE1-OE2 2.97Å; H150-E364 IonicContact ND1-OE1 3.18Å; H150-E364 IonicContact ND1-OE2 2.81Å; H150-E364 VanDerWaalsContact NE2-CG 3.32Å; H150-E364 WeakPolarHBondContact NE2-CG 3.41Å; H150-E364 IonicContact NE2-OE1 3.42Å; H150-E364 PolarHBondContact NE2-OE1 3.42Å; H150-E364 IonicContact NE2-OE2 2.83Å; H150-E364 PolarHBondContact NE2-OE2 3.46Å; H150-E364 VanDerWaalsContact NE2-OE2 3.13Å; H150-H365 AromaticContact CD2-ND1 3.5Å; H150-H365 PolarHBondContact CD2-ND1 3.22Å; H150-L368 WeakPolarHBondContact NE2-CD1 3.27Å; H150-P418 HydrophobicContact CB-CB 4.21Å; H150-I419 HydrophobicContact CB-CD1 3.94Å; H150-I419 HydrophobicContact CB-CG1 4.08Å
151H97.8Very high94.1Very high4 Ų443.1 Ų43.12%0.01920%0.203CC..EExtended strand (participates in β ladder)trans-116.3142.6178.4178.575.7000111.1N153 S165 V166 T167 L361 A362 H365H151-N153 PolarHBondContact NE2-ND2 2.71Å; H151-S165 PolarHBondContact CE1-OG 3.39Å; H151-V166 PolarHBondContact ND1-O 2.89Å; H151-V166 VanDerWaalsContact ND1-O 3.08Å; H151-T167 HydrophobicContact CB-CG2 4.34Å; H151-T167 PolarHBondContact ND1-OG1 3.45Å; H151-L361 HydrophobicContact CB-CB 3.55Å; H151-A362 VanDerWaalsContact CD2-CB 3.48Å; H151-A362 WeakPolarHBondContact CD2-CB 3.35Å; H151-H365 WeakPolarHBondContact O-CB 3.48Å; H151-H365 PolarHBondContact O-CD2 2.98Å; H151-H365 PolarHBondContact O-ND1 2.96Å
152A97.1Very high94.2Very high4 Ų440.9 Ų40.93%0.03319%0.193CC..EExtended strand (participates in β ladder)trans-144.5140.7174.400000111.8V166 I419A152-V166 PolarHBondContact N-O 2.77Å; A152-V166 PolarHBondContact O-N 2.94Å; A152-V166 VanDerWaalsContact O-O 3.1Å; A152-I419 HydrophobicContact CB-CB 4.31Å; A152-I419 HydrophobicContact CB-CD1 4.21Å; A152-I419 HydrophobicContact CB-CG2 3.99Å
153N96.6Very high94.3Very high77 Ų7741.9 Ų41.941%0.41220%0.199SC..EExtended strand (participates in β ladder)trans-97.4110.1171.2-79.9-66.1000109.4H151 V163 S165H151-N153 PolarHBondContact NE2-ND2 2.71Å; N153-V163 HydrophobicContact CB-CG1 3.83Å; N153-S165 WeakPolarHBondContact OD1-CA 3.32Å
154V97.3Very high94.6Very high1 Ų140.6 Ų40.61%0.00619%0.19CC..EExtended strand (participates in β ladder)trans-99109.9-170.4-176.40000109.9L113 R136 L138 V163 V164 V166 L424L113-V154 HydrophobicContact CD1-CG1 4.43Å; L113-V154 HydrophobicContact CD1-CG2 4.37Å; R136-V154 HydrophobicContact CB-CG1 3.72Å; R136-V154 HydrophobicContact CG-CG1 3.79Å; L138-V154 HydrophobicContact CD1-CG2 3.84Å; L138-V154 HydrophobicContact CD2-CG1 4.06Å; L138-V154 HydrophobicContact CD2-CG2 3.8Å; L138-V154 HydrophobicContact CG-CG2 4.43Å; V154-V163 CarbonylContact O-C 3.57Å; V154-V163 WeakPolarHBondContact O-CA 3.32Å; V154-V164 HydrophobicContact CB-CG1 3.92Å; V154-V164 PolarHBondContact N-O 3.18Å; V154-V164 PolarHBondContact O-N 2.95Å; V154-V166 HydrophobicContact CB-CG2 4.4Å; V154-V166 HydrophobicContact CG2-CB 4.36Å; V154-V166 HydrophobicContact CG2-CG2 3.77Å; V154-L424 HydrophobicContact CG1-CD1 4.19Å
155M96.5Very high94.9Very high68 Ų6840.4 Ų40.434%0.33519%0.189SC..EExtended strand (participates in β ladder)trans-87.3132.9176.3-175.2-180177.800111.1R136 L161 S162 V163 L424R136-M155 WeakPolarHBondContact CG-O 3.14Å; R136-M155 PolarHBondContact NE-O 3.32Å; M155-L161 HydrophobicContact CE-CD2 3.36Å; M155-S162 WeakPolarHBondContact CA-O 3.35Å; M155-V163 HydrophobicContact CB-CG2 4.11Å; M155-V163 HydrophobicContact CG-CG2 4.18Å; M155-L424 HydrophobicContact CB-CD2 3.93Å
156F95.2Very high95.4Very high0 Ų038.3 Ų38.30%018%0.175CC..  trans-73.9-59-169.8-86.4-70.9000114.5F17 I30 L115 S134 R136 H160 S162 V164F17-F156 HydrophobicContact CE2-CD2 4.16Å; F17-F156 AromaticContact CE2-CE2 3.98Å; F17-F156 HydrophobicContact CE2-CE2 3.98Å; I30-F156 HydrophobicContact CD1-CE2 4.29Å; I30-F156 HydrophobicContact CD1-CZ 4.39Å; I30-F156 HydrophobicContact CG1-CZ 4.43Å; I30-F156 HydrophobicContact CG2-CZ 4.44Å; L115-F156 HydrophobicContact CB-CD1 3.67Å; L115-F156 HydrophobicContact CB-CD2 4.17Å; L115-F156 HydrophobicContact CB-CE1 3.65Å; L115-F156 HydrophobicContact CB-CE2 4.13Å; L115-F156 HydrophobicContact CB-CG 3.95Å; L115-F156 HydrophobicContact CB-CZ 3.88Å; L115-F156 HydrophobicContact CD1-CE2 4.3Å; L115-F156 HydrophobicContact CD2-CB 4.38Å; L115-F156 HydrophobicContact CD2-CD2 4.02Å; L115-F156 HydrophobicContact CD2-CG 4.06Å; L115-F156 HydrophobicContact CG-CD2 4.49Å; S134-F156 PolarHBondContact OG-O 3Å; R136-F156 PolarHBondContact NE-O 2.85Å; R136-F156 PolarHBondContact NH1-O 3.34Å; R136-F156 PolarHBondContact NH2-O 3.39Å; F156-H160 HydrophobicContact CB-CB 4.36Å; F156-S162 PolarHBondContact N-O 2.82Å; F156-V164 HydrophobicContact CE2-CB 4.27Å; F156-V164 HydrophobicContact CE2-CG1 3.79Å; F156-V164 HydrophobicContact CZ-CG1 4.02Å
157D92.1Very high95.9Very high33 Ų3331.7 Ų31.718%0.17615%0.151CC..  trans-170.7-171.1161.859.968.3000110.7S134 F159 H160 L161S134-D157 WeakPolarHBondContact CB-OD2 3.47Å; S134-D157 PolarHBondContact OG-OD2 3.47Å; D157-F159 WeakPolarHBondContact OD1-CA 3.41Å; D157-F159 WeakPolarHBondContact OD1-CB 3.14Å; D157-F159 PolarHBondContact OD1-N 3Å; D157-H160 VanDerWaalsContact CG-ND1 3.34Å; D157-H160 CarbonylContact O-C 3.58Å; D157-H160 VanDerWaalsContact O-C 3.31Å; D157-H160 IonicContact OD1-CG 2.84Å; D157-H160 PolarHBondContact OD1-N 3.43Å; D157-H160 IonicContact OD1-ND1 3.85Å; D157-H160 PolarHBondContact OD1-ND1 3.35Å; D157-H160 VanDerWaalsContact OD1-ND1 3.13Å; D157-H160 IonicContact OD2-CE1 3.74Å; D157-H160 IonicContact OD2-CG 2.72Å; D157-H160 IonicContact OD2-ND1 2.6Å; D157-H160 PolarHBondContact OD2-ND1 3.38Å; D157-L161 PolarHBondContact O-N 3.49Å
158Y89.1Confident96Very high181 Ų18131.3 Ų31.371%0.7115%0.146SC*.SBendtrans-73.7-25.3-179.3-178.5-95.1000114.5L161Y158-L161 HydrophobicContact CD2-CD2 4.45Å; Y158-L161 WeakPolarHBondContact O-CD2 3.45Å; Y158-L161 WeakPolarHBondContact O-CG 3.43Å
159F91.4Very high96.1Very high148 Ų14831 Ų3165%0.64915%0.145SC*.SBendtrans-86.7-26.9174-58.3-76.3000111.6D157D157-F159 WeakPolarHBondContact OD1-CA 3.41Å; D157-F159 WeakPolarHBondContact OD1-CB 3.14Å; D157-F159 PolarHBondContact OD1-N 3Å
160H93.4Very high96.1Very high40 Ų4030.5 Ų30.519%0.18514%0.143CC..EExtended strand (participates in β ladder)trans-112.961.5179.5-52.7105.6000110.7L22 I133 F156 D157 S162L22-H160 HydrophobicContact CD2-CB 4.04Å; I133-H160 PolarHBondContact O-CE1 3.24Å; F156-H160 HydrophobicContact CB-CB 4.36Å; D157-H160 VanDerWaalsContact CG-ND1 3.34Å; D157-H160 CarbonylContact O-C 3.58Å; D157-H160 VanDerWaalsContact O-C 3.31Å; D157-H160 IonicContact OD1-CG 2.84Å; D157-H160 PolarHBondContact OD1-N 3.43Å; D157-H160 IonicContact OD1-ND1 3.85Å; D157-H160 PolarHBondContact OD1-ND1 3.35Å; D157-H160 VanDerWaalsContact OD1-ND1 3.13Å; D157-H160 IonicContact OD2-CE1 3.74Å; D157-H160 IonicContact OD2-CG 2.72Å; D157-H160 IonicContact OD2-ND1 2.6Å; D157-H160 PolarHBondContact OD2-ND1 3.38Å; H160-S162 VanDerWaalsContact C-N 3.29Å; H160-S162 PolarHBondContact O-N 3Å; H160-S162 PolarHBondContact O-OG 3.28Å
161L93.6Very high96.2Very high43 Ų4330.4 Ų30.423%0.22514%0.142CC..EExtended strand (participates in β ladder)trans-60.985.9-176.2-62.8-179.6000111.3V20 D21 M155 D157 Y158V20-L161 WeakPolarHBondContact CA-O 3.27Å; V20-L161 HydrophobicContact CB-CB 4.26Å; V20-L161 WeakPolarHBondContact CB-O 3.16Å; V20-L161 PolarHBondContact N-O 3.15Å; D21-L161 HydrophobicContact CB-CB 4.2Å; D21-L161 HydrophobicContact CB-CD1 4.13Å; D21-L161 PolarHBondContact N-O 2.66Å; M155-L161 HydrophobicContact CE-CD2 3.36Å; D157-L161 PolarHBondContact O-N 3.49Å; Y158-L161 HydrophobicContact CD2-CD2 4.45Å; Y158-L161 WeakPolarHBondContact O-CD2 3.45Å; Y158-L161 WeakPolarHBondContact O-CG 3.43Å
162S96.6Very high96.2Very high0 Ų030.2 Ų30.20%014%0.141CC..EExtended strand (participates in β ladder)trans-159.4151.4-172.958.80000110.2F17 Y18 M155 F156 H160F17-S162 VanDerWaalsContact CZ-CB 3.47Å; Y18-S162 CarbonylContact O-C 3.5Å; Y18-S162 VanDerWaalsContact O-CA 3.27Å; Y18-S162 WeakPolarHBondContact O-CA 3.34Å; M155-S162 WeakPolarHBondContact CA-O 3.35Å; F156-S162 PolarHBondContact N-O 2.82Å; H160-S162 VanDerWaalsContact C-N 3.29Å; H160-S162 PolarHBondContact O-N 3Å; H160-S162 PolarHBondContact O-OG 3.28Å
163V97.4Very high96.2Very high29 Ų2930 Ų3018%0.17614%0.14CC..EExtended strand (participates in β ladder)trans-135.1135.2-171.9-175.80000110.1F17 Y18 N153 V154 M155F17-V163 WeakPolarHBondContact CA-O 3.36Å; Y18-V163 HydrophobicContact CD2-CB 4.42Å; Y18-V163 PolarHBondContact N-O 2.97Å; Y18-V163 PolarHBondContact O-N 3.45Å; N153-V163 HydrophobicContact CB-CG1 3.83Å; V154-V163 CarbonylContact O-C 3.57Å; V154-V163 WeakPolarHBondContact O-CA 3.32Å; M155-V163 HydrophobicContact CB-CG2 4.11Å; M155-V163 HydrophobicContact CG-CG2 4.18Å
164V98.1Very high96.2Very high0 Ų026.5 Ų26.50%012%0.122CC..EExtended strand (participates in β ladder)trans-109.1130.2167.959.70000111L14 K16 F17 I30 L113 V154 F156 V166L14-V164 HydrophobicContact CB-CG2 4.39Å; L14-V164 HydrophobicContact CD2-CG2 4.07Å; K16-V164 WeakPolarHBondContact O-CA 3.33Å; F17-V164 HydrophobicContact CD2-CB 4.24Å; I30-V164 HydrophobicContact CD1-CB 3.8Å; I30-V164 HydrophobicContact CD1-CG1 4.23Å; I30-V164 HydrophobicContact CD1-CG2 3.64Å; L113-V164 HydrophobicContact CD1-CG1 4.39Å; V154-V164 HydrophobicContact CB-CG1 3.92Å; V154-V164 PolarHBondContact N-O 3.18Å; V154-V164 PolarHBondContact O-N 2.95Å; F156-V164 HydrophobicContact CE2-CB 4.27Å; F156-V164 HydrophobicContact CE2-CG1 3.79Å; F156-V164 HydrophobicContact CZ-CG1 4.02Å; V164-V166 HydrophobicContact CB-CG2 4.47Å; V164-V166 HydrophobicContact CG1-CG2 3.83Å; V164-V166 HydrophobicContact CG2-CG2 4.12Å; V164-V166 PolarHBondContact O-N 3.43Å
165S97.6Very high96.1Very high1 Ų126.5 Ų26.51%0.00712%0.121CC..EExtended strand (participates in β ladder)trans-76.8109.5170.81560000108.7N15 K16 H151 N153 R358N15-S165 WeakPolarHBondContact CB-OG 3.37Å; N15-S165 PolarHBondContact N-O 3.19Å; N15-S165 PolarHBondContact OD1-O 3.2Å; N15-S165 PolarHBondContact OD1-OG 2.94Å; K16-S165 PolarHBondContact O-N 2.75Å; H151-S165 PolarHBondContact CE1-OG 3.39Å; N153-S165 WeakPolarHBondContact OD1-CA 3.32Å; S165-R358 PolarHBondContact OG-NH1 3.09Å
166V98.3Very high96.1Very high0 Ų024.6 Ų24.60%011%0.112CC..EExtended strand (participates in β ladder)trans-115.6126.7-178-171.30000109.9V12 E13 L14 L113 H151 A152 V154 V164 V168V12-V166 HydrophobicContact CG1-CG1 4.06Å; E13-V166 WeakPolarHBondContact O-CA 3.38Å; L14-V166 HydrophobicContact CD2-CG1 4.28Å; L14-V166 HydrophobicContact CD2-CG2 3.93Å; L113-V166 HydrophobicContact CD1-CG2 3.83Å; H151-V166 PolarHBondContact ND1-O 2.89Å; H151-V166 VanDerWaalsContact ND1-O 3.08Å; A152-V166 PolarHBondContact N-O 2.77Å; A152-V166 PolarHBondContact O-N 2.94Å; A152-V166 VanDerWaalsContact O-O 3.1Å; V154-V166 HydrophobicContact CB-CG2 4.4Å; V154-V166 HydrophobicContact CG2-CB 4.36Å; V154-V166 HydrophobicContact CG2-CG2 3.77Å; V164-V166 HydrophobicContact CB-CG2 4.47Å; V164-V166 HydrophobicContact CG1-CG2 3.83Å; V164-V166 HydrophobicContact CG2-CG2 4.12Å; V164-V166 PolarHBondContact O-N 3.43Å; V166-V168 HydrophobicContact CG1-CG2 4.07Å
167T98.3Very high95.9Very high4 Ų425.9 Ų25.93%0.02512%0.118CC..EExtended strand (participates in β ladder)trans-114.7136.1169.1-45.10000108.8E13 N15 H151 H169 L361E13-T167 PolarHBondContact N-O 3.01Å; E13-T167 PolarHBondContact O-N 3.03Å; N15-T167 PolarHBondContact OD1-OG1 3.49Å; H151-T167 HydrophobicContact CB-CG2 4.34Å; H151-T167 PolarHBondContact ND1-OG1 3.45Å; T167-H169 WeakPolarHBondContact CG2-NE2 3.41Å; T167-L361 HydrophobicContact CG2-CD1 4.17Å
168V98.5Very high95.9Very high0 Ų024.5 Ų24.50%011%0.111CC..EExtended strand (participates in β ladder)trans-124.7124.5-179.5-176.10000109.5F10 S11 V12 L111 L140 L148 H149 H150 V166 I419F10-V168 HydrophobicContact CD1-CG1 4.25Å; S11-V168 WeakPolarHBondContact O-CA 3.44Å; V12-V168 HydrophobicContact CG2-CG1 4.39Å; V12-V168 HydrophobicContact CG2-CG2 4.38Å; L111-V168 HydrophobicContact CD2-CG2 4.37Å; L140-V168 HydrophobicContact CD1-CG1 4.21Å; L140-V168 HydrophobicContact CD2-CG2 4.31Å; L148-V168 HydrophobicContact CD2-CG1 4.25Å; H149-V168 WeakPolarHBondContact CA-O 3.48Å; H150-V168 PolarHBondContact N-O 2.95Å; H150-V168 PolarHBondContact O-N 3.5Å; V166-V168 HydrophobicContact CG1-CG2 4.07Å; V168-I419 HydrophobicContact CB-CD1 3.98Å; V168-I419 HydrophobicContact CG2-CD1 3.8Å
169H98.3Very high96Very high2 Ų220.6 Ų20.61%0.00910%0.102CC..EExtended strand (participates in β ladder)trans-117.9131.5168.2-61.8-75.9000109.2F10 S11 L148 H149 T167 W344 F347 L348 I351F10-H169 CarbonylContact C-O 3.58Å; F10-H169 WeakPolarHBondContact CA-O 3.41Å; S11-H169 PolarHBondContact N-O 3.39Å; S11-H169 PolarHBondContact O-N 2.85Å; L148-H169 CarbonylContact O-C 3.59Å; L148-H169 WeakPolarHBondContact O-CA 3.37Å; H149-H169 AromaticContact CG-ND1 3.66Å; H149-H169 AromaticContact ND1-CG 3.87Å; H149-H169 AromaticContact ND1-ND1 3.33Å; H149-H169 PolarHBondContact ND1-ND1 3.35Å; T167-H169 WeakPolarHBondContact CG2-NE2 3.41Å; H169-W344 HydrophobicContact CB-CH2 3.97Å; H169-F347 HydrophobicContact CB-CE1 4.2Å; H169-L348 HydrophobicContact CB-CD2 4.38Å; H169-I351 HydrophobicContact CB-CD1 4.31Å; H169-I351 WeakPolarHBondContact CD2-CD1 3.46Å; H169-I351 VanDerWaalsContact CE1-CD1 3.48Å; H169-I351 WeakPolarHBondContact CE1-CD1 3.37Å; H169-I351 VanDerWaalsContact CG-CD1 3.46Å; H169-I351 WeakPolarHBondContact NE2-CD1 3.43Å
170A98.2Very high95.9Very high0 Ų015.8 Ų15.80%08%0.082CC..EExtended strand (participates in β ladder)trans-143.2147.4176.200000113.2E9 F10 Y142 G147 L148 H149E9-A170 WeakPolarHBondContact O-CA 3.22Å; E9-A170 WeakPolarHBondContact O-CB 3.26Å; F10-A170 HydrophobicContact CB-CB 4.32Å; F10-A170 HydrophobicContact CD1-CB 3.36Å; F10-A170 HydrophobicContact CD2-CB 4.42Å; F10-A170 HydrophobicContact CE1-CB 3.62Å; F10-A170 HydrophobicContact CG-CB 3.78Å; F10-A170 HydrophobicContact CZ-CB 4.25Å; Y142-A170 HydrophobicContact CD2-CB 4.17Å; Y142-A170 HydrophobicContact CE2-CB 4.36Å; G147-A170 WeakPolarHBondContact CA-O 3.4Å; L148-A170 HydrophobicContact CB-CB 4.31Å; L148-A170 PolarHBondContact N-O 2.93Å; L148-A170 PolarHBondContact O-N 3.19Å; H149-A170 PolarHBondContact CE1-O 2.67Å
171S98Very high95.5Very high3 Ų316.5 Ų16.52%0.0219%0.091CC..EExtended strand (participates in β ladder)trans-148.8152.7177.1-173.80000111V8 E9 V173 W344V8-S171 WeakPolarHBondContact CA-O 3.45Å; E9-S171 PolarHBondContact N-O 3.02Å; E9-S171 PolarHBondContact O-N 2.72Å; E9-S171 VanDerWaalsContact O-N 3.11Å; S171-V173 PolarHBondContact O-N 2.6Å; S171-W344 VanDerWaalsContact CB-CE3 3.49Å
172L97.9Very high95.2Very high0 Ų014.4 Ų14.40%08%0.081CC..EExtended strand (participates in β ladder)trans-61.9131.3158.1-176.572000107.3A6 V8 Y142 I144 L175 T247 L248 A251 L340A6-L172 HydrophobicContact CB-CD1 4.29Å; V8-L172 HydrophobicContact CG2-CD1 4.33Å; Y142-L172 WeakPolarHBondContact OH-CB 3.47Å; Y142-L172 PolarHBondContact OH-N 3.46Å; I144-L172 HydrophobicContact CG2-CD2 4.32Å; L172-L175 HydrophobicContact CD2-CB 4.49Å; L172-T247 HydrophobicContact CD2-CG2 3.97Å; L172-L248 HydrophobicContact CD2-CD2 4.29Å; L172-A251 HydrophobicContact CB-CB 4.1Å; L172-A251 HydrophobicContact CD2-CB 4.07Å; L172-L340 VanDerWaalsContact O-CD2 3.3Å; L172-L340 WeakPolarHBondContact O-CD2 3.33Å; L172-L340 WeakPolarHBondContact O-CG 3.46Å
173V96.9Very high94.3Very high1 Ų117.7 Ų17.71%0.00610%0.102CC..EExtended strand (participates in β ladder)trans-120.3-24.2179.5-65.40000112.9M7 E9 S171 M341 W344M7-V173 HydrophobicContact CB-CG2 4.02Å; M7-V173 HydrophobicContact CG-CG2 3.86Å; M7-V173 WeakPolarHBondContact O-CG2 3.32Å; M7-V173 PolarHBondContact O-N 2.68Å; M7-V173 HydrophobicContact SD-CG2 4.09Å; E9-V173 HydrophobicContact CB-CG1 3.8Å; E9-V173 HydrophobicContact CB-CG2 3.96Å; S171-V173 PolarHBondContact O-N 2.6Å; V173-M341 HydrophobicContact CB-CG 4.1Å; V173-M341 WeakPolarHBondContact O-CG 3.37Å; V173-W344 HydrophobicContact CG1-CB 4.07Å; V173-W344 HydrophobicContact CG1-CD2 4.23Å; V173-W344 HydrophobicContact CG1-CG 3.67Å
174A96.9Very high93.3Very high3 Ų320.4 Ų20.43%0.02511%0.109CC..EExtended strand (participates in β ladder)trans-151147174.800000112.5A6 M7 C337A6-A174 CarbonylContact C-O 3.56Å; A6-A174 WeakPolarHBondContact CA-O 2.95Å; M7-A174 HydrophobicContact CB-CB 4.07Å; M7-A174 HydrophobicContact CE-CB 4.3Å; M7-A174 PolarHBondContact N-O 3.48Å; M7-A174 PolarHBondContact O-N 2.96Å; A174-C337 HydrophobicContact CB-CB 4.4Å
175L96.8Very high91.7Very high0 Ų023.7 Ų23.70%013%0.13CC..EExtended strand (participates in β ladder)trans-149.2109.1175.8-176.964.4000109.1V4 Q5 A6 I100 L172 L244 T247 L248 C337V4-L175 HydrophobicContact CB-CD1 4.48Å; V4-L175 HydrophobicContact CG2-CD1 4.02Å; Q5-L175 WeakPolarHBondContact O-CA 3.33Å; A6-L175 HydrophobicContact CB-CD1 3.88Å; I100-L175 HydrophobicContact CD1-CD1 4.35Å; I100-L175 HydrophobicContact CD1-CD2 4.33Å; I100-L175 HydrophobicContact CG2-CD1 4.39Å; I100-L175 HydrophobicContact CG2-CD2 4.46Å; L172-L175 HydrophobicContact CD2-CB 4.49Å; L175-L244 HydrophobicContact CD1-CD2 4.25Å; L175-L244 HydrophobicContact CD2-CB 4.19Å; L175-L244 HydrophobicContact CD2-CD2 3.74Å; L175-L244 HydrophobicContact CD2-CG 4.5Å; L175-L244 HydrophobicContact CG-CB 4.47Å; L175-L244 HydrophobicContact CG-CD2 3.87Å; L175-T247 HydrophobicContact CD2-CG2 3.77Å; L175-L248 HydrophobicContact CB-CD1 4.25Å; L175-L248 HydrophobicContact CB-CD2 3.82Å; L175-L248 HydrophobicContact CB-CG 3.99Å; L175-L248 HydrophobicContact CD2-CG 4.41Å; L175-C337 PolarHBondContact N-SG 3.4Å
176H94.8Very high89.9Confident28 Ų2827.1 Ų27.113%0.1315%0.151CC..EExtended strand (participates in β ladder)trans-158.1-178.6-172.254.669.2000112.4Q5Q5-H176 PolarHBondContact N-O 2.91Å; Q5-H176 PolarHBondContact O-N 2.89Å
177Q92.3Very high88Confident27 Ų2736.4 Ų36.413%0.12619%0.191CC..SBendtrans-54.8150.2171.357.9168.6-24.600112.2L179 L207 V210 N330Q177-L179 HydrophobicContact CG-CD2 3.99Å; Q177-L179 PolarHBondContact O-N 3.46Å; Q177-L207 HydrophobicContact CG-CD1 4.49Å; Q177-V210 HydrophobicContact CB-CB 4.39Å; Q177-V210 HydrophobicContact CB-CG1 4.07Å; Q177-V210 HydrophobicContact CB-CG2 4.23Å; Q177-N330 PolarHBondContact NE2-OD1 3.32Å
178P92.5Very high85.8Confident5 Ų541.7 Ų41.73%0.03222%0.224CC..  trans-62.5124.4177-21.434000112.2E3 L94 I204 P205E3-P178 WeakPolarHBondContact O-CD 3.31Å; E3-P178 VanDerWaalsContact O-CG 3.3Å; E3-P178 WeakPolarHBondContact O-CG 3.37Å; L94-P178 HydrophobicContact CD1-CB 4.02Å; L94-P178 HydrophobicContact CD1-CG 3.56Å; P178-I204 WeakPolarHBondContact O-CG2 3.35Å; P178-P205 HydrophobicContact CB-CG 4.33Å; P178-P205 HydrophobicContact CG-CG 4.03Å
179L90.6Very high83.7Confident99 Ų9946.3 Ų46.352%0.51825%0.252SS..  trans-109.2-9.5-179.6-61.7-177.9000113.4Q177Q177-L179 HydrophobicContact CG-CD2 3.99Å; Q177-L179 PolarHBondContact O-N 3.46Å
180I88.5Confident81.9Confident46 Ų4657 Ų5724%0.23629%0.293CS..SBendtrans-132.5156.8178.262.1176.1000110.5K92 F182K92-I180 HydrophobicContact CB-CD1 4.49Å; K92-I180 HydrophobicContact CD-CD1 3.98Å; I180-F182 HydrophobicContact CD1-CE1 3.96Å; I180-F182 HydrophobicContact CD1-CE2 4.37Å; I180-F182 HydrophobicContact CD1-CZ 3.78Å; I180-F182 HydrophobicContact CG1-CD2 4.36Å; I180-F182 HydrophobicContact CG1-CE1 4.19Å; I180-F182 HydrophobicContact CG1-CE2 3.7Å; I180-F182 HydrophobicContact CG1-CZ 3.61Å
181S86.3Confident80Confident55 Ų5564.7 Ų64.739%0.38533%0.333SS..  trans-73.8145.2166.553.10000110.8S202S181-S202 VanDerWaalsContact CB-O 3.32Å; S181-S202 WeakPolarHBondContact CB-O 3.32Å
182F86.2Confident77.8Confident0 Ų069.8 Ų69.80%036%0.36CS..  trans-117.7139.6173.5-67.8-86000110.2Q5 P41 R43 K92 L94 I180 R184 S202Q5-F182 HydrophobicContact CG-CE2 4.4Å; Q5-F182 HydrophobicContact CG-CZ 4.06Å; P41-F182 HydrophobicContact CB-CB 3.7Å; P41-F182 HydrophobicContact CB-CG 4.43Å; R43-F182 HydrophobicContact CB-CE1 4.45Å; K92-F182 HydrophobicContact CB-CE1 4.05Å; K92-F182 HydrophobicContact CB-CZ 4.26Å; L94-F182 HydrophobicContact CB-CD2 3.98Å; L94-F182 HydrophobicContact CB-CE2 4.24Å; L94-F182 HydrophobicContact CB-CG 4.28Å; L94-F182 HydrophobicContact CD1-CD2 4.34Å; L94-F182 HydrophobicContact CD1-CE2 4.34Å; L94-F182 HydrophobicContact CD2-CD2 4.29Å; L94-F182 HydrophobicContact CG-CD2 4.45Å; I180-F182 HydrophobicContact CD1-CE1 3.96Å; I180-F182 HydrophobicContact CD1-CE2 4.37Å; I180-F182 HydrophobicContact CD1-CZ 3.78Å; I180-F182 HydrophobicContact CG1-CD2 4.36Å; I180-F182 HydrophobicContact CG1-CE1 4.19Å; I180-F182 HydrophobicContact CG1-CE2 3.7Å; I180-F182 HydrophobicContact CG1-CZ 3.61Å; F182-R184 PolarHBondContact O-N 3.48Å; F182-S202 PolarHBondContact N-OG 3.35Å; F182-S202 PolarHBondContact O-N 3.5Å; F182-S202 VanDerWaalsContact O-N 3.11Å
183P78.9Confident75.7Confident69 Ų6979.8 Ų79.845%0.44840%0.398SS..  trans-69.6113.2174.128.7-33000108.9
184R76.1Confident73.7Confident85 Ų8587.2 Ų87.232%0.32144%0.437SS..  trans-85.9137.9177.3-67-164.5-171.5-111.26.4111.3E3 P41 F182 V186E3-R184 IonicContact OE1-CZ 2.6Å; E3-R184 IonicContact OE1-NH1 3.14Å; E3-R184 PolarHBondContact OE1-NH1 3.15Å; E3-R184 IonicContact OE1-NH2 2.86Å; E3-R184 PolarHBondContact OE1-NH2 3.25Å; E3-R184 IonicContact OE2-CZ 2.72Å; E3-R184 IonicContact OE2-NH1 2.64Å; E3-R184 PolarHBondContact OE2-NH1 3.43Å; E3-R184 IonicContact OE2-NH2 2.72Å; E3-R184 PolarHBondContact OE2-NH2 3.1Å; P41-R184 HydrophobicContact CB-CG 4.42Å; P41-R184 HydrophobicContact CG-CG 4.23Å; F182-R184 PolarHBondContact O-N 3.48Å; R184-V186 PolarHBondContact O-N 2.83Å
185P63.5Low71.6Confident69 Ų6989.7 Ų89.745%0.44846%0.458SS..  trans-58.6124.5168.8-20.931.5000110.5A38 K187A38-P185 WeakPolarHBondContact O-CG 3.05Å; P185-K187 PolarHBondContact O-N 3.09Å; P185-K187 VanDerWaalsContact O-N 3.08Å
186V60.7Low69.6Low73 Ų7394.8 Ų94.844%0.44249%0.491SS..  trans-68.5109.7175.3-176.70000108.2R184 T188 Q198R184-V186 PolarHBondContact O-N 2.83Å; V186-T188 PolarHBondContact O-N 2.81Å; V186-Q198 VanDerWaalsContact CG2-O 3.27Å; V186-Q198 WeakPolarHBondContact CG2-O 3.46Å
187K57.1Low67.4Low195 Ų19597.9 Ų97.985%0.84852%0.521SS*.  trans-63.699.6170.5-73.3-175.6177.7178.90108.7P185 T189P185-K187 PolarHBondContact O-N 3.09Å; P185-K187 VanDerWaalsContact O-N 3.08Å; K187-T189 VanDerWaalsContact C-N 3.31Å; K187-T189 PolarHBondContact O-N 3.37Å
188T53Low65.3Low115 Ų115104 Ų10471%0.70655%0.55SS**  trans-74.181-179.940.80000110.8V186 W190V186-T188 PolarHBondContact O-N 2.81Å; T188-W190 PolarHBondContact O-N 3.49Å
189T54.4Low63.5Low97 Ų97107.4 Ų107.460%0.59557%0.574SS**  trans-51.1132.2167-40.60000108.9K187 L191 N192K187-T189 VanDerWaalsContact C-N 3.31Å; K187-T189 PolarHBondContact O-N 3.37Å; T189-L191 PolarHBondContact O-N 3.12Å; T189-N192 PolarHBondContact O-N 3.19Å
190W59.5Low62Low226 Ų226111.3 Ų111.386%0.85659%0.586SS**G310 helixtrans-54.2-23.2-166.6-145.583.8000114.8T188T188-W190 PolarHBondContact O-N 3.49Å
191L58.4Low60.9Low163 Ų163113.3 Ų113.385%0.85360%0.598SS**G310 helixtrans-73.7-17177.2-59.6173.4000114.7T189T189-L191 PolarHBondContact O-N 3.12Å
192N51.8Low60.1Low109 Ų109111.2 Ų111.258%0.58358%0.583SS**G310 helixtrans-110.926.2-169.1-109.4-10.5000114.2T189 N194 A195T189-N192 PolarHBondContact O-N 3.19Å; N192-N194 PolarHBondContact O-N 3.28Å; N192-A195 PolarHBondContact O-N 3.49Å
193R55.3Low59.8Low210 Ų210115.6 Ų115.679%0.79262%0.619SS**THydrogen-bonded Turntrans-60.4-15.5-173.6-167.9171178.8178.2-1115.6
194N54.3Low60.2Low157 Ų157116.8 Ų116.884%0.8462%0.621SS**THydrogen-bonded Turntrans-112.43.5-175.2-62.52.8000113.9N192N192-N194 PolarHBondContact O-N 3.28Å
195A53Low60.8Low56 Ų56114.9 Ų114.946%0.46362%0.619SS.*SBendtrans-79.5140.6174.600000110.4N192N192-A195 PolarHBondContact O-N 3.49Å
196P53.3Low62.1Low107 Ų107115.9 Ų115.970%0.69562%0.624SS**  trans-61.5143170.927.4-34.1000109.9Q198P196-Q198 VanDerWaalsContact C-N 3.31Å; P196-Q198 PolarHBondContact O-N 2.92Å
197A50Low63.5Low92 Ų92114.3 Ų114.376%0.7661%0.613SS**  trans-7181.6-175.100000111.9S199A197-S199 PolarHBondContact O-N 3.1Å
198Q48.3Very low65.1Low157 Ų157107.6 Ų107.673%0.73459%0.585SS**  trans-73.193.7171.4-68.7-174-10.400109.6V186 P196 K200V186-Q198 VanDerWaalsContact CG2-O 3.27Å; V186-Q198 WeakPolarHBondContact CG2-O 3.46Å; P196-Q198 VanDerWaalsContact C-N 3.31Å; P196-Q198 PolarHBondContact O-N 2.92Å; Q198-K200 VanDerWaalsContact C-N 3.35Å; Q198-K200 PolarHBondContact O-N 3.22Å
199S53.6Low66.9Low75 Ų75103.3 Ų103.352%0.52456%0.56SS.*  trans-61.396.3165.5520000108.9A197 D201A197-S199 PolarHBondContact O-N 3.1Å; S199-D201 PolarHBondContact O-N 3.01Å
200K59.8Low68.7Low181 Ų18198.8 Ų98.879%0.78753%0.532SS*.  trans-83.4100.4175.6-165.6174-174.6178.90108.4Q198Q198-K200 VanDerWaalsContact C-N 3.35Å; Q198-K200 PolarHBondContact O-N 3.22Å
201D65.8Low70.3Confident89 Ų8988 Ų8848%0.47649%0.491SS..PPolyproline II helixtrans-47.4143.3175.6-79.11.8000112.2S199 A203S199-D201 PolarHBondContact O-N 3.01Å; D201-A203 PolarHBondContact O-N 3.42Å
202S69.1Low71.9Confident11 Ų1180.3 Ų80.38%0.07745%0.451CS..PPolyproline II helixtrans-64120.6173.964.20000110.5S181 F182 I204S181-S202 VanDerWaalsContact CB-O 3.32Å; S181-S202 WeakPolarHBondContact CB-O 3.32Å; F182-S202 PolarHBondContact N-OG 3.35Å; F182-S202 PolarHBondContact O-N 3.5Å; F182-S202 VanDerWaalsContact O-N 3.11Å; S202-I204 PolarHBondContact O-N 3.44Å
203A79.8Confident73.7Confident92 Ų9275.4 Ų75.476%0.7643%0.426SS*.PPolyproline II helixtrans-57.5135.3164.600000109.4D201D201-A203 PolarHBondContact O-N 3.42Å
204I87.4Confident75.2Confident93 Ų9370.6 Ų70.648%0.47742%0.415SS..PPolyproline II helixtrans-74122.9178.1-60.9173.8000107.6P178 S202P178-I204 WeakPolarHBondContact O-CG2 3.35Å; S202-I204 PolarHBondContact O-N 3.44Å
205P88.9Confident76.7Confident45 Ų4569.2 Ų69.229%0.29241%0.408SS..PPolyproline II helixtrans-71.5161.3178.931.7-35.8000111.4P178 S209 V210P178-P205 HydrophobicContact CB-CG 4.33Å; P178-P205 HydrophobicContact CG-CG 4.03Å; P205-S209 WeakPolarHBondContact CB-OG 3.44Å; P205-V210 HydrophobicContact CB-CG2 3.78Å; P205-V210 HydrophobicContact CG-CG2 3.48Å; P205-V210 VanDerWaalsContact CG-CG2 3.48Å
206T89.8Confident78.3Confident90 Ų9067.5 Ų67.555%0.55239%0.389SS*.PPolyproline II helixtrans-80.3151.4169.8640000110.2E208 S209 V210T206-E208 VanDerWaalsContact C-N 3.28Å; T206-E208 PolarHBondContact O-N 3.46Å; T206-S209 PolarHBondContact N-OG 3.18Å; T206-S209 WeakPolarHBondContact O-CA 3.18Å; T206-S209 PolarHBondContact O-N 3.44Å; T206-S209 PolarHBondContact O-OG 2.94Å; T206-S209 WeakPolarHBondContact OG1-CB 3.3Å; T206-S209 PolarHBondContact OG1-N 2.91Å; T206-S209 PolarHBondContact OG1-OG 3.44Å; T206-V210 PolarHBondContact O-N 2.89Å; T206-V210 VanDerWaalsContact O-N 3.07Å
207L91.4Very high79.6Confident40 Ų4066.7 Ų66.721%0.20938%0.383CS..Hα-helixtrans-52.4-45177.517558.7000112.2Q177 S209 V210 V211 A326 N330Q177-L207 HydrophobicContact CG-CD1 4.49Å; L207-S209 VanDerWaalsContact C-N 3.34Å; L207-S209 PolarHBondContact O-N 2.91Å; L207-V210 PolarHBondContact O-N 3.37Å; L207-V210 VanDerWaalsContact O-N 3.14Å; L207-V211 HydrophobicContact CD1-CG2 3.66Å; L207-V211 HydrophobicContact CG-CG2 4.38Å; L207-V211 PolarHBondContact O-N 3.42Å; L207-A326 HydrophobicContact CD2-CB 4.34Å; L207-A326 HydrophobicContact CG-CB 4.15Å; L207-N330 HydrophobicContact CD1-CB 3.86Å; L207-N330 HydrophobicContact CD2-CB 3.94Å
208E90.6Very high81Confident54 Ų5465.9 Ų65.925%0.25236%0.362SS..Hα-helixtrans-54.5-46.1173.1-65.6179.4-167.100112.2T206 V210 F212 Y216 K218T206-E208 VanDerWaalsContact C-N 3.28Å; T206-E208 PolarHBondContact O-N 3.46Å; E208-V210 VanDerWaalsContact C-N 3.25Å; E208-V210 PolarHBondContact O-N 3.17Å; E208-F212 HydrophobicContact CB-CD2 4.26Å; E208-F212 WeakPolarHBondContact O-CB 3.32Å; E208-F212 WeakPolarHBondContact O-CD2 3.38Å; E208-F212 PolarHBondContact O-N 3.06Å; E208-Y216 HydrophobicContact CB-CD1 4.13Å; E208-Y216 HydrophobicContact CB-CE1 4.12Å; E208-K218 IonicContact OE1-NZ 3.8Å; E208-K218 PolarHBondContact OE1-NZ 3.17Å
209S90.4Very high82.5Confident25 Ų2564.1 Ų64.118%0.17535%0.354CS..Hα-helixtrans-73.1-14.1-179.271.90000114.4P205 T206 L207 G213 I214P205-S209 WeakPolarHBondContact CB-OG 3.44Å; T206-S209 PolarHBondContact N-OG 3.18Å; T206-S209 WeakPolarHBondContact O-CA 3.18Å; T206-S209 PolarHBondContact O-N 3.44Å; T206-S209 PolarHBondContact O-OG 2.94Å; T206-S209 WeakPolarHBondContact OG1-CB 3.3Å; T206-S209 PolarHBondContact OG1-N 2.91Å; T206-S209 PolarHBondContact OG1-OG 3.44Å; L207-S209 VanDerWaalsContact C-N 3.34Å; L207-S209 PolarHBondContact O-N 2.91Å; S209-G213 CarbonylContact O-C 3.58Å; S209-G213 VanDerWaalsContact O-CA 3.23Å; S209-G213 WeakPolarHBondContact O-CA 3.37Å; S209-G213 PolarHBondContact O-N 3.09Å; S209-I214 PolarHBondContact O-N 3.08Å
210V92.3Very high83.7Confident3 Ų365.9 Ų65.92%0.01836%0.357CS..Hα-helixtrans-86.7-54.9170.7178.60000109.3T2 Q177 P205 T206 L207 E208 G213 F240T2-V210 HydrophobicContact CG2-CB 4.48Å; T2-V210 HydrophobicContact CG2-CG1 3.85Å; T2-V210 VanDerWaalsContact CG2-O 3.31Å; T2-V210 WeakPolarHBondContact CG2-O 3.46Å; Q177-V210 HydrophobicContact CB-CB 4.39Å; Q177-V210 HydrophobicContact CB-CG1 4.07Å; Q177-V210 HydrophobicContact CB-CG2 4.23Å; P205-V210 HydrophobicContact CB-CG2 3.78Å; P205-V210 HydrophobicContact CG-CG2 3.48Å; P205-V210 VanDerWaalsContact CG-CG2 3.48Å; T206-V210 PolarHBondContact O-N 2.89Å; T206-V210 VanDerWaalsContact O-N 3.07Å; L207-V210 PolarHBondContact O-N 3.37Å; L207-V210 VanDerWaalsContact O-N 3.14Å; E208-V210 VanDerWaalsContact C-N 3.25Å; E208-V210 PolarHBondContact O-N 3.17Å; V210-G213 PolarHBondContact O-N 2.82Å; V210-F240 HydrophobicContact CG1-CE1 4.41Å; V210-F240 HydrophobicContact CG1-CE2 3.5Å; V210-F240 VanDerWaalsContact CG1-CE2 3.5Å; V210-F240 HydrophobicContact CG1-CZ 3.42Å; V210-F240 VanDerWaalsContact CG1-CZ 3.42Å
211V93.3Very high84.6Confident0 Ų057.7 Ų57.70%032%0.322CS..Hα-helixtrans-65.7-46-176.3171.70000112.4L207 H236 A237 F240 A326 I329L207-V211 HydrophobicContact CD1-CG2 3.66Å; L207-V211 HydrophobicContact CG-CG2 4.38Å; L207-V211 PolarHBondContact O-N 3.42Å; V211-H236 PolarHBondContact O-CD2 3.37Å; V211-A237 HydrophobicContact CG1-CB 3.6Å; V211-A237 WeakPolarHBondContact O-CA 3.48Å; V211-A237 WeakPolarHBondContact O-CB 3.45Å; V211-A237 PolarHBondContact O-N 3.33Å; V211-F240 HydrophobicContact CG2-CD1 4.43Å; V211-F240 HydrophobicContact CG2-CE1 4.13Å; V211-A326 HydrophobicContact CB-CB 4.32Å; V211-A326 HydrophobicContact CG1-CB 4.27Å; V211-A326 HydrophobicContact CG2-CB 4.3Å; V211-I329 HydrophobicContact CG1-CD1 3.66Å; V211-I329 HydrophobicContact CG2-CG2 4.12Å
212F92.4Very high84.9Confident0 Ų059.8 Ų59.80%034%0.34CS..SBendtrans-93.7-0.6178.3-57-60.4000112.9E208 Y216 I229 F233 A237 P322 L325 A326E208-F212 HydrophobicContact CB-CD2 4.26Å; E208-F212 WeakPolarHBondContact O-CB 3.32Å; E208-F212 WeakPolarHBondContact O-CD2 3.38Å; E208-F212 PolarHBondContact O-N 3.06Å; F212-Y216 HydrophobicContact CB-CD1 4Å; F212-Y216 HydrophobicContact CB-CD2 3.62Å; F212-Y216 HydrophobicContact CB-CE2 4.28Å; F212-Y216 HydrophobicContact CB-CG 3.46Å; F212-Y216 VanDerWaalsContact CB-CG 3.46Å; F212-Y216 HydrophobicContact CD2-CD1 4.06Å; F212-Y216 HydrophobicContact CD2-CD2 4.41Å; F212-Y216 AromaticContact CD2-CE1 3.92Å; F212-Y216 HydrophobicContact CD2-CE1 3.92Å; F212-Y216 HydrophobicContact CD2-CE2 4.3Å; F212-Y216 HydrophobicContact CD2-CG 4.29Å; F212-Y216 HydrophobicContact CG-CD1 4.41Å; F212-Y216 HydrophobicContact CG-CD2 4.1Å; F212-Y216 HydrophobicContact CG-CE2 4.26Å; F212-Y216 HydrophobicContact CG-CG 4.18Å; F212-I229 HydrophobicContact CD1-CG2 4.28Å; F212-I229 HydrophobicContact CE1-CD1 4.07Å; F212-I229 HydrophobicContact CE1-CG2 4.44Å; F212-I229 HydrophobicContact CZ-CD1 4.23Å; F212-F233 HydrophobicContact CB-CB 4.23Å; F212-F233 WeakPolarHBondContact O-CD1 3.48Å; F212-A237 HydrophobicContact CD1-CB 3.8Å; F212-A237 HydrophobicContact CE1-CB 3.8Å; F212-P322 HydrophobicContact CE2-CB 3.82Å; F212-P322 WeakPolarHBondContact CE2-O 3.18Å; F212-P322 HydrophobicContact CZ-CB 3.79Å; F212-P322 WeakPolarHBondContact CZ-O 3.27Å; F212-L325 HydrophobicContact CE1-CD2 3.79Å; F212-L325 HydrophobicContact CE1-CG 4.34Å; F212-L325 HydrophobicContact CZ-CB 4.46Å; F212-L325 HydrophobicContact CZ-CD2 3.96Å; F212-L325 HydrophobicContact CZ-CG 4.18Å; F212-A326 HydrophobicContact CE2-CB 4.02Å; F212-A326 HydrophobicContact CZ-CB 4.36Å
213G89.9Confident85.2Confident6 Ų664.6 Ų64.66%0.06237%0.366CS..  trans81.6159176.800000114.5S209 V210 N215 Y216 H236S209-G213 CarbonylContact O-C 3.58Å; S209-G213 VanDerWaalsContact O-CA 3.23Å; S209-G213 WeakPolarHBondContact O-CA 3.37Å; S209-G213 PolarHBondContact O-N 3.09Å; V210-G213 PolarHBondContact O-N 2.82Å; G213-N215 PolarHBondContact O-N 3.19Å; G213-Y216 VanDerWaalsContact O-CB 3.29Å; G213-Y216 WeakPolarHBondContact O-CB 3.38Å; G213-Y216 PolarHBondContact O-N 2.89Å; G213-H236 PolarHBondContact N-CD2 3.04Å
214I85.3Confident85Confident109 Ų10962.6 Ų62.656%0.55935%0.353SS*.THydrogen-bonded Turntrans-60.4-12.2-165.164.3172.7000116.8S209S209-I214 PolarHBondContact O-N 3.08Å
215N86.2Confident84.1Confident129 Ų12963.6 Ų63.669%0.6937%0.368SS*.THydrogen-bonded Turntrans-103-0.7178.7-66.5-23.8000112.9G213 T217 F233G213-N215 PolarHBondContact O-N 3.19Å; N215-T217 PolarHBondContact O-N 2.71Å; N215-F233 HydrophobicContact CB-CE1 4.29Å
216Y85.9Confident83.2Confident20 Ų2064.1 Ų64.18%0.07837%0.372CS..  trans-61.9134.7177177.1-106.2000110.8E208 F212 G213 K218 I229 F233E208-Y216 HydrophobicContact CB-CD1 4.13Å; E208-Y216 HydrophobicContact CB-CE1 4.12Å; F212-Y216 HydrophobicContact CB-CD1 4Å; F212-Y216 HydrophobicContact CB-CD2 3.62Å; F212-Y216 HydrophobicContact CB-CE2 4.28Å; F212-Y216 HydrophobicContact CB-CG 3.46Å; F212-Y216 VanDerWaalsContact CB-CG 3.46Å; F212-Y216 HydrophobicContact CD2-CD1 4.06Å; F212-Y216 HydrophobicContact CD2-CD2 4.41Å; F212-Y216 AromaticContact CD2-CE1 3.92Å; F212-Y216 HydrophobicContact CD2-CE1 3.92Å; F212-Y216 HydrophobicContact CD2-CE2 4.3Å; F212-Y216 HydrophobicContact CD2-CG 4.29Å; F212-Y216 HydrophobicContact CG-CD1 4.41Å; F212-Y216 HydrophobicContact CG-CD2 4.1Å; F212-Y216 HydrophobicContact CG-CE2 4.26Å; F212-Y216 HydrophobicContact CG-CG 4.18Å; G213-Y216 VanDerWaalsContact O-CB 3.29Å; G213-Y216 WeakPolarHBondContact O-CB 3.38Å; G213-Y216 PolarHBondContact O-N 2.89Å; Y216-K218 HydrophobicContact CE1-CB 4.17Å; Y216-I229 HydrophobicContact CE2-CG2 4.41Å; Y216-F233 HydrophobicContact CD2-CB 4.3Å; Y216-F233 AromaticContact CD2-CD2 3.82Å; Y216-F233 HydrophobicContact CD2-CD2 3.82Å; Y216-F233 HydrophobicContact CD2-CE2 4.25Å; Y216-F233 HydrophobicContact CD2-CG 4.04Å
217T81.5Confident82.6Confident90 Ų9063 Ų6355%0.55236%0.36SS*.  trans-134.1129.117147.40000108.3N215 Q219N215-T217 PolarHBondContact O-N 2.71Å; T217-Q219 PolarHBondContact O-N 2.73Å
218K80.1Confident81.9Confident74 Ų7465.6 Ų65.632%0.32237%0.374SS..  trans-72.4108.7-173.1-162.1168.4-163.6165.40110.3E208 Y216 F227 D323E208-K218 IonicContact OE1-NZ 3.8Å; E208-K218 PolarHBondContact OE1-NZ 3.17Å; Y216-K218 HydrophobicContact CE1-CB 4.17Å; K218-F227 HydrophobicContact CD-CD1 4.27Å; K218-F227 HydrophobicContact CD-CE1 4.07Å; K218-F227 HydrophobicContact CD-CZ 4.28Å; K218-F227 HydrophobicContact CG-CD1 3.64Å; K218-F227 HydrophobicContact CG-CE1 3.83Å; K218-F227 HydrophobicContact CG-CG 4.16Å; K218-F227 HydrophobicContact CG-CZ 4.5Å; K218-D323 WeakPolarHBondContact CE-OD1 3.49Å; K218-D323 IonicContact NZ-OD1 3.24Å; K218-D323 PolarHBondContact NZ-OD1 2.98Å; K218-D323 IonicContact NZ-OD2 3.54Å; K218-D323 PolarHBondContact NZ-OD2 3.28Å
219Q78.7Confident81.5Confident121 Ų12164.8 Ų64.857%0.56537%0.37SS*.EExtended strand (participates in β ladder)trans-106.4127.7-178.9-65.3-17521.800110.4T217 F227 L228T217-Q219 PolarHBondContact O-N 2.73Å; Q219-F227 CarbonylContact O-C 3.53Å; Q219-F227 WeakPolarHBondContact O-CA 3.28Å; Q219-L228 PolarHBondContact O-N 3.35Å
220L79.6Confident81.3Confident112 Ų11265.9 Ų65.959%0.58638%0.381SS*.EExtended strand (participates in β ladder)trans-73.2145.1172-77.9159000110.3F227L220-F227 HydrophobicContact CD2-CD1 3.8Å; L220-F227 HydrophobicContact CD2-CE1 3.42Å; L220-F227 VanDerWaalsContact CD2-CE1 3.42Å; L220-F227 HydrophobicContact CD2-CZ 4.07Å; L220-F227 HydrophobicContact CG-CD1 4.08Å; L220-F227 HydrophobicContact CG-CE1 3.77Å
221S77.6Confident81.1Confident9 Ų973.8 Ų73.86%0.06342%0.418CS..  trans-61.2157.5169.958.20000112.1D223 G224 C225 S226S221-D223 WeakPolarHBondContact CB-OD1 3.27Å; S221-D223 PolarHBondContact O-N 2.89Å; S221-D223 PolarHBondContact OG-OD1 3.39Å; S221-G224 PolarHBondContact O-N 3.13Å; S221-G224 PolarHBondContact OG-N 2.87Å; S221-C225 PolarHBondContact OG-N 3.4Å; S221-S226 WeakPolarHBondContact CB-O 3.36Å; S221-S226 WeakPolarHBondContact CB-OG 3.44Å; S221-S226 PolarHBondContact N-O 3.29Å; S221-S226 PolarHBondContact OG-N 3.07Å; S221-S226 PolarHBondContact OG-O 3.04Å; S221-S226 VanDerWaalsContact OG-O 3.07Å; S221-S226 PolarHBondContact OG-OG 2.84Å
222P72.8Confident81Confident132 Ų13277.9 Ų77.986%0.85745%0.446SS*.THydrogen-bonded Turntrans-61.1-20.7174.9-25.435.3000115.1
223D75.9Confident80.9Confident113 Ų11380.2 Ų80.260%0.60446%0.457SS*.THydrogen-bonded Turntrans-88.9-9.4173.15638.1000113.6S221 C225S221-D223 WeakPolarHBondContact CB-OD1 3.27Å; S221-D223 PolarHBondContact O-N 2.89Å; S221-D223 PolarHBondContact OG-OD1 3.39Å; D223-C225 PolarHBondContact O-N 3.35Å; D223-C225 WeakPolarHBondContact OD1-CB 3.37Å; D223-C225 PolarHBondContact OD1-N 2.99Å
224G75.6Confident81Confident49 Ų4982.3 Ų82.351%0.50547%0.466SS..SBendtrans699.9-17800000114.9S221S221-G224 PolarHBondContact O-N 3.13Å; S221-G224 PolarHBondContact OG-N 2.87Å
225C67.1Low81.3Confident115 Ų11581.5 Ų81.578%0.77746%0.46SS*.SBendtrans-98.4-12.8-176.3-64.20000114.3S221 D223S221-C225 PolarHBondContact OG-N 3.4Å; D223-C225 PolarHBondContact O-N 3.35Å; D223-C225 WeakPolarHBondContact OD1-CB 3.37Å; D223-C225 PolarHBondContact OD1-N 2.99Å
226S69.8Low81.7Confident56 Ų5676.5 Ų76.539%0.39243%0.432SS..SBendtrans-144.7174.2179.464.80000112.2S221S221-S226 WeakPolarHBondContact CB-O 3.36Å; S221-S226 WeakPolarHBondContact CB-OG 3.44Å; S221-S226 PolarHBondContact N-O 3.29Å; S221-S226 PolarHBondContact OG-N 3.07Å; S221-S226 PolarHBondContact OG-O 3.04Å; S221-S226 VanDerWaalsContact OG-O 3.07Å; S221-S226 PolarHBondContact OG-OG 2.84Å
227F78.1Confident82.1Confident67 Ų6775.5 Ų75.529%0.29443%0.429SS..EExtended strand (participates in β ladder)trans-108.4133.1171.2-66.5-68.6000109.4K218 Q219 L220 P322K218-F227 HydrophobicContact CD-CD1 4.27Å; K218-F227 HydrophobicContact CD-CE1 4.07Å; K218-F227 HydrophobicContact CD-CZ 4.28Å; K218-F227 HydrophobicContact CG-CD1 3.64Å; K218-F227 HydrophobicContact CG-CE1 3.83Å; K218-F227 HydrophobicContact CG-CG 4.16Å; K218-F227 HydrophobicContact CG-CZ 4.5Å; Q219-F227 CarbonylContact O-C 3.53Å; Q219-F227 WeakPolarHBondContact O-CA 3.28Å; L220-F227 HydrophobicContact CD2-CD1 3.8Å; L220-F227 HydrophobicContact CD2-CE1 3.42Å; L220-F227 VanDerWaalsContact CD2-CE1 3.42Å; L220-F227 HydrophobicContact CD2-CZ 4.07Å; L220-F227 HydrophobicContact CG-CD1 4.08Å; L220-F227 HydrophobicContact CG-CE1 3.77Å; F227-P322 HydrophobicContact CB-CG 3.58Å; F227-P322 HydrophobicContact CD2-CG 4.26Å; F227-P322 HydrophobicContact CG-CG 4.28Å
228L76.9Confident82.8Confident94 Ų9473.9 Ų73.949%0.49241%0.413SS..EExtended strand (participates in β ladder)trans-93.2119.9178.6-66.6177.6000110.4Q219Q219-L228 PolarHBondContact O-N 3.35Å
229I82.1Confident83.4Confident36 Ų3673.3 Ų73.319%0.18541%0.411CS..PPolyproline II helixtrans-97128.2171.1-44173000107.7F212 Y216 F233 L234 P322 L325F212-I229 HydrophobicContact CD1-CG2 4.28Å; F212-I229 HydrophobicContact CE1-CD1 4.07Å; F212-I229 HydrophobicContact CE1-CG2 4.44Å; F212-I229 HydrophobicContact CZ-CD1 4.23Å; Y216-I229 HydrophobicContact CE2-CG2 4.41Å; I229-F233 HydrophobicContact CG2-CB 3.88Å; I229-L234 HydrophobicContact CD1-CD1 4.49Å; I229-L234 HydrophobicContact CG2-CB 4.02Å; I229-P322 HydrophobicContact CD1-CB 3.62Å; I229-P322 HydrophobicContact CD1-CG 4.14Å; I229-P322 HydrophobicContact CG1-CB 3.92Å; I229-P322 HydrophobicContact CG1-CG 4.1Å; I229-L325 HydrophobicContact CD1-CD2 4.25Å
230A86.1Confident84.2Confident49 Ų4967.6 Ų67.641%0.40538%0.384SS..PPolyproline II helixtrans-70.9139.9169.300000110.1S232 F233 L234A230-S232 PolarHBondContact O-N 3.22Å; A230-F233 HydrophobicContact CB-CD2 3.74Å; A230-F233 HydrophobicContact CB-CE2 4.1Å; A230-F233 WeakPolarHBondContact O-CB 3.44Å; A230-F233 PolarHBondContact O-N 2.86Å; A230-L234 PolarHBondContact O-N 2.71Å
231E88.6Confident85Confident168 Ų16862.3 Ų62.379%0.78536%0.357SS*.Hα-helixtrans-51.1-35.6-174.6-174.2172.6-153.200113.8F233 L234 H235E231-F233 PolarHBondContact O-N 3.33Å; E231-L234 PolarHBondContact O-N 2.63Å; E231-H235 WeakPolarHBondContact O-CB 3.47Å; E231-H235 PolarHBondContact O-N 3.12Å
232S90Very high85.9Confident86 Ų8665.3 Ų65.360%0.60137%0.367SS*.Hα-helixtrans-65-32.9175.953.40000114.4A230 H236A230-S232 PolarHBondContact O-N 3.22Å; S232-H236 WeakPolarHBondContact O-CB 3.45Å; S232-H236 PolarHBondContact O-N 2.91Å; S232-H236 VanDerWaalsContact O-N 3.15Å
233F92Very high87Confident49 Ų4960.4 Ų60.422%0.21534%0.335CS..Hα-helixtrans-76.9-33.8174-61.3-50.3000111.7F212 N215 Y216 I229 A230 E231 H236 A237F212-F233 HydrophobicContact CB-CB 4.23Å; F212-F233 WeakPolarHBondContact O-CD1 3.48Å; N215-F233 HydrophobicContact CB-CE1 4.29Å; Y216-F233 HydrophobicContact CD2-CB 4.3Å; Y216-F233 AromaticContact CD2-CD2 3.82Å; Y216-F233 HydrophobicContact CD2-CD2 3.82Å; Y216-F233 HydrophobicContact CD2-CE2 4.25Å; Y216-F233 HydrophobicContact CD2-CG 4.04Å; I229-F233 HydrophobicContact CG2-CB 3.88Å; A230-F233 HydrophobicContact CB-CD2 3.74Å; A230-F233 HydrophobicContact CB-CE2 4.1Å; A230-F233 WeakPolarHBondContact O-CB 3.44Å; A230-F233 PolarHBondContact O-N 2.86Å; E231-F233 PolarHBondContact O-N 3.33Å; F233-H236 WeakPolarHBondContact O-CB 3.45Å; F233-H236 PolarHBondContact O-N 3.08Å; F233-A237 PolarHBondContact O-N 2.78Å
234L92Very high87.9Confident50 Ų5055 Ų5526%0.26231%0.306SS..Hα-helixtrans-71.4-42.5176.7179.4142.1000111.6I229 A230 E231 H236 A237 Y238I229-L234 HydrophobicContact CD1-CD1 4.49Å; I229-L234 HydrophobicContact CG2-CB 4.02Å; A230-L234 PolarHBondContact O-N 2.71Å; E231-L234 PolarHBondContact O-N 2.63Å; L234-H236 VanDerWaalsContact C-N 3.28Å; L234-H236 PolarHBondContact O-N 3.44Å; L234-A237 PolarHBondContact O-N 3.26Å; L234-Y238 HydrophobicContact CD2-CD2 3.99Å; L234-Y238 HydrophobicContact CD2-CE1 4.49Å; L234-Y238 HydrophobicContact CD2-CE2 3.34Å; L234-Y238 HydrophobicContact CG-CE1 4.35Å; L234-Y238 HydrophobicContact CG-CE2 4.06Å; L234-Y238 PolarHBondContact O-N 3.05Å
235H91.8Very high88.9Confident92 Ų9252.7 Ų52.743%0.42628%0.282SS..Hα-helixtrans-60.9-36.9168.9-175.4-57.5000111.7E231 Y238 H239 F526E231-H235 WeakPolarHBondContact O-CB 3.47Å; E231-H235 PolarHBondContact O-N 3.12Å; H235-Y238 PolarHBondContact O-N 3.18Å; H235-H239 WeakPolarHBondContact O-CB 3.27Å; H235-H239 PolarHBondContact O-N 2.92Å; H235-F526 AromaticContact CD2-CE2 3.95Å; H235-F526 AromaticContact NE2-CD2 3.9Å; H235-F526 AromaticContact NE2-CE2 3.62Å
236H93.5Very high90.3Very high24 Ų2448 Ų4811%0.11125%0.251CS..Hα-helixtrans-63.8-44.3174.2-17565.9000112T2 E97 V211 G213 S232 F233 L234 Y238 H239 F240T2-H236 PolarHBondContact OG1-CE1 3.36Å; T2-H236 PolarHBondContact OG1-NE2 3.47Å; E97-H236 IonicContact OE1-CE1 3.61Å; E97-H236 IonicContact OE1-ND1 3.35Å; E97-H236 IonicContact OE2-CE1 3.21Å; E97-H236 PolarHBondContact OE2-CE1 3.26Å; E97-H236 IonicContact OE2-ND1 3.85Å; E97-H236 IonicContact OE2-NE2 3.5Å; E97-H236 PolarHBondContact OE2-NE2 3.22Å; V211-H236 PolarHBondContact O-CD2 3.37Å; G213-H236 PolarHBondContact N-CD2 3.04Å; S232-H236 WeakPolarHBondContact O-CB 3.45Å; S232-H236 PolarHBondContact O-N 2.91Å; S232-H236 VanDerWaalsContact O-N 3.15Å; F233-H236 WeakPolarHBondContact O-CB 3.45Å; F233-H236 PolarHBondContact O-N 3.08Å; L234-H236 VanDerWaalsContact C-N 3.28Å; L234-H236 PolarHBondContact O-N 3.44Å; H236-Y238 PolarHBondContact O-N 3.09Å; H236-H239 PolarHBondContact O-N 3.03Å; H236-F240 VanDerWaalsContact O-CB 3.22Å; H236-F240 WeakPolarHBondContact O-CB 3.48Å; H236-F240 PolarHBondContact O-N 2.79Å
237A94.7Very high91.5Very high0 Ų046 Ų460%024%0.237CC..Hα-helixtrans-61.1-40.6176.200000113.2V211 F212 F233 L234 H241 I329V211-A237 HydrophobicContact CG1-CB 3.6Å; V211-A237 WeakPolarHBondContact O-CA 3.48Å; V211-A237 WeakPolarHBondContact O-CB 3.45Å; V211-A237 PolarHBondContact O-N 3.33Å; F212-A237 HydrophobicContact CD1-CB 3.8Å; F212-A237 HydrophobicContact CE1-CB 3.8Å; F233-A237 PolarHBondContact O-N 2.78Å; L234-A237 PolarHBondContact O-N 3.26Å; A237-H241 VanDerWaalsContact O-CB 3.3Å; A237-H241 WeakPolarHBondContact O-CB 3.47Å; A237-H241 PolarHBondContact O-N 3.01Å; A237-I329 HydrophobicContact CB-CD1 4.17Å
238Y95.3Very high92.4Very high55 Ų5542.9 Ų42.922%0.21622%0.223CC..Hα-helixtrans-68.9-41.5175.8-64-13.2000112.4L234 H235 H236 H241 Y242 V316 K317 L325L234-Y238 HydrophobicContact CD2-CD2 3.99Å; L234-Y238 HydrophobicContact CD2-CE1 4.49Å; L234-Y238 HydrophobicContact CD2-CE2 3.34Å; L234-Y238 HydrophobicContact CG-CE1 4.35Å; L234-Y238 HydrophobicContact CG-CE2 4.06Å; L234-Y238 PolarHBondContact O-N 3.05Å; H235-Y238 PolarHBondContact O-N 3.18Å; H236-Y238 PolarHBondContact O-N 3.09Å; Y238-H241 PolarHBondContact O-N 2.86Å; Y238-Y242 VanDerWaalsContact O-CB 3.28Å; Y238-Y242 WeakPolarHBondContact O-CB 3.46Å; Y238-Y242 PolarHBondContact O-N 2.91Å; Y238-V316 HydrophobicContact CD1-CG1 3.78Å; Y238-V316 HydrophobicContact CE1-CG1 3.86Å; Y238-K317 HydrophobicContact CD2-CG 4.45Å; Y238-K317 HydrophobicContact CE2-CG 4Å; Y238-L325 HydrophobicContact CE1-CD1 4.26Å
239H94.1Very high93.3Very high62 Ų6238.5 Ų38.529%0.28720%0.2SC..Hα-helixtrans-60.8-50.7173.9179.5-90.2000111.2E97 H235 H236 H241 Y242 T243E97-H239 IonicContact OE1-CE1 2.81Å; E97-H239 IonicContact OE1-ND1 2.69Å; E97-H239 PolarHBondContact OE1-ND1 3.07Å; H235-H239 WeakPolarHBondContact O-CB 3.27Å; H235-H239 PolarHBondContact O-N 2.92Å; H236-H239 PolarHBondContact O-N 3.03Å; H239-H241 PolarHBondContact O-N 2.66Å; H239-Y242 PolarHBondContact O-N 3.38Å; H239-T243 PolarHBondContact O-N 3.01Å; H239-T243 PolarHBondContact O-OG1 3.46Å; H239-T243 VanDerWaalsContact O-OG1 3.06Å
240F95Very high93.9Very high2 Ų239.2 Ų39.21%0.00920%0.204CC..Hα-helixtrans-54.6-49.5176.3176.3-87.9000111.7T2 V4 E97 V210 V211 H236 L244 I329 L333T2-F240 HydrophobicContact CG2-CD2 4.2Å; T2-F240 HydrophobicContact CG2-CE2 4.01Å; V4-F240 HydrophobicContact CG1-CD2 4.49Å; V4-F240 HydrophobicContact CG1-CE2 3.55Å; V4-F240 HydrophobicContact CG1-CZ 4.12Å; E97-F240 HydrophobicContact CG-CD2 4.24Å; V210-F240 HydrophobicContact CG1-CE1 4.41Å; V210-F240 HydrophobicContact CG1-CE2 3.5Å; V210-F240 VanDerWaalsContact CG1-CE2 3.5Å; V210-F240 HydrophobicContact CG1-CZ 3.42Å; V210-F240 VanDerWaalsContact CG1-CZ 3.42Å; V211-F240 HydrophobicContact CG2-CD1 4.43Å; V211-F240 HydrophobicContact CG2-CE1 4.13Å; H236-F240 VanDerWaalsContact O-CB 3.22Å; H236-F240 WeakPolarHBondContact O-CB 3.48Å; H236-F240 PolarHBondContact O-N 2.79Å; F240-L244 HydrophobicContact CD1-CD1 4.25Å; F240-L244 HydrophobicContact CD2-CD1 4.32Å; F240-L244 HydrophobicContact CE1-CD1 3.66Å; F240-L244 HydrophobicContact CE2-CD1 3.76Å; F240-L244 HydrophobicContact CZ-CD1 3.37Å; F240-L244 HydrophobicContact CZ-CG 4.5Å; F240-L244 WeakPolarHBondContact O-CG 3.5Å; F240-L244 PolarHBondContact O-N 3.07Å; F240-I329 HydrophobicContact CD1-CG2 4.07Å; F240-I329 HydrophobicContact CE1-CG2 4.07Å; F240-L333 HydrophobicContact CE1-CD1 4.07Å
241H96.4Very high94.4Very high1 Ų137 Ų371%0.00519%0.186CC..Hα-helixtrans-60.9-48.7177.1172.4-102.9000112.2A237 Y238 H239 C245 L312 I329 N332A237-H241 VanDerWaalsContact O-CB 3.3Å; A237-H241 WeakPolarHBondContact O-CB 3.47Å; A237-H241 PolarHBondContact O-N 3.01Å; Y238-H241 PolarHBondContact O-N 2.86Å; H239-H241 PolarHBondContact O-N 2.66Å; H241-C245 VanDerWaalsContact CD2-SG 3.59Å; H241-C245 PolarHBondContact NE2-SG 2.72Å; H241-C245 VanDerWaalsContact O-CB 3.24Å; H241-C245 WeakPolarHBondContact O-CB 3.36Å; H241-C245 PolarHBondContact O-N 3.39Å; H241-C245 PolarHBondContact O-SG 2.71Å; H241-C245 VanDerWaalsContact O-SG 3.38Å; H241-L312 PolarHBondContact CE1-O 3.27Å; H241-I329 HydrophobicContact CB-CD1 4.08Å; H241-I329 HydrophobicContact CB-CG1 3.96Å; H241-I329 HydrophobicContact CB-CG2 4.1Å; H241-N332 PolarHBondContact NE2-ND2 2.96Å
242Y96.3Very high94.7Very high72 Ų7229.1 Ų29.128%0.28215%0.149SC..Hα-helixtrans-57.5-54.8178.3175.1-92000111.8Y238 H239 L244 C245 A246 L309Y238-Y242 VanDerWaalsContact O-CB 3.28Å; Y238-Y242 WeakPolarHBondContact O-CB 3.46Å; Y238-Y242 PolarHBondContact O-N 2.91Å; H239-Y242 PolarHBondContact O-N 3.38Å; Y242-L244 PolarHBondContact O-N 3.14Å; Y242-C245 PolarHBondContact O-N 2.93Å; Y242-A246 VanDerWaalsContact O-CB 3.3Å; Y242-A246 WeakPolarHBondContact O-CB 3.39Å; Y242-A246 PolarHBondContact O-N 3.15Å; Y242-L309 HydrophobicContact CD2-CD1 4.1Å; Y242-L309 HydrophobicContact CD2-CD2 3.87Å; Y242-L309 HydrophobicContact CD2-CG 3.94Å; Y242-L309 HydrophobicContact CE2-CD2 3.42Å; Y242-L309 VanDerWaalsContact CE2-CD2 3.42Å; Y242-L309 HydrophobicContact CE2-CG 3.9Å
243T95.1Very high94.9Very high29 Ų2926.6 Ų26.618%0.17813%0.127CC..Hα-helixtrans-57.2-51.8-177.4-57.70000111.3I100 H239 C245 A246 T247I100-T243 HydrophobicContact CD1-CG2 4.28Å; H239-T243 PolarHBondContact O-N 3.01Å; H239-T243 PolarHBondContact O-OG1 3.46Å; H239-T243 VanDerWaalsContact O-OG1 3.06Å; T243-C245 PolarHBondContact O-N 3.31Å; T243-A246 PolarHBondContact O-N 3.32Å; T243-T247 PolarHBondContact O-N 3.36Å; T243-T247 PolarHBondContact O-OG1 3.2Å
244L96.6Very high94.9Very high0 Ų024.8 Ų24.80%012%0.122CC..Hα-helixtrans-69.6-35-176.3-56.9-170.5000112.6V4 I100 L175 F240 Y242 L248 L333V4-L244 HydrophobicContact CG1-CD1 3.95Å; V4-L244 HydrophobicContact CG1-CD2 4.13Å; V4-L244 HydrophobicContact CG2-CD2 4.35Å; I100-L244 HydrophobicContact CD1-CD2 3.24Å; L175-L244 HydrophobicContact CD1-CD2 4.25Å; L175-L244 HydrophobicContact CD2-CB 4.19Å; L175-L244 HydrophobicContact CD2-CD2 3.74Å; L175-L244 HydrophobicContact CD2-CG 4.5Å; L175-L244 HydrophobicContact CG-CB 4.47Å; L175-L244 HydrophobicContact CG-CD2 3.87Å; F240-L244 HydrophobicContact CD1-CD1 4.25Å; F240-L244 HydrophobicContact CD2-CD1 4.32Å; F240-L244 HydrophobicContact CE1-CD1 3.66Å; F240-L244 HydrophobicContact CE2-CD1 3.76Å; F240-L244 HydrophobicContact CZ-CD1 3.37Å; F240-L244 HydrophobicContact CZ-CG 4.5Å; F240-L244 WeakPolarHBondContact O-CG 3.5Å; F240-L244 PolarHBondContact O-N 3.07Å; Y242-L244 PolarHBondContact O-N 3.14Å; L244-L248 WeakPolarHBondContact O-CB 3.47Å; L244-L248 WeakPolarHBondContact O-CG 3.31Å; L244-L248 PolarHBondContact O-N 3.15Å; L244-L248 VanDerWaalsContact O-N 3.12Å; L244-L333 HydrophobicContact CB-CD1 4.38Å; L244-L333 HydrophobicContact CB-CD2 3.5Å; L244-L333 HydrophobicContact CD1-CD1 3.77Å; L244-L333 HydrophobicContact CD1-CD2 4.39Å
245C96.6Very high95.1Very high0 Ų022.6 Ų22.60%011%0.111CC..Hα-helixtrans-67.4-42.1173.8-760000111.9H241 Y242 T243 L248 L249 L309 L336H241-C245 VanDerWaalsContact CD2-SG 3.59Å; H241-C245 PolarHBondContact NE2-SG 2.72Å; H241-C245 VanDerWaalsContact O-CB 3.24Å; H241-C245 WeakPolarHBondContact O-CB 3.36Å; H241-C245 PolarHBondContact O-N 3.39Å; H241-C245 PolarHBondContact O-SG 2.71Å; H241-C245 VanDerWaalsContact O-SG 3.38Å; Y242-C245 PolarHBondContact O-N 2.93Å; T243-C245 PolarHBondContact O-N 3.31Å; C245-L248 PolarHBondContact O-N 3.27Å; C245-L249 WeakPolarHBondContact O-CB 3.29Å; C245-L249 VanDerWaalsContact O-CG 3.23Å; C245-L249 WeakPolarHBondContact O-CG 3.11Å; C245-L249 PolarHBondContact O-N 3.17Å; C245-L309 HydrophobicContact CB-CD1 3.67Å; C245-L336 HydrophobicContact CB-CD1 3.89Å; C245-L336 VanDerWaalsContact SG-CD1 3.55Å
246A95.5Very high95.1Very high16 Ų1618.5 Ų18.513%0.1329%0.092CC..Hα-helixtrans-59.1-51.5175.200000111.1Y242 T243 L248 L249 L250 L309Y242-A246 VanDerWaalsContact O-CB 3.3Å; Y242-A246 WeakPolarHBondContact O-CB 3.39Å; Y242-A246 PolarHBondContact O-N 3.15Å; T243-A246 PolarHBondContact O-N 3.32Å; A246-L248 VanDerWaalsContact C-N 3.32Å; A246-L248 PolarHBondContact O-N 2.94Å; A246-L249 PolarHBondContact O-N 3.42Å; A246-L250 WeakPolarHBondContact O-CB 3.3Å; A246-L250 VanDerWaalsContact O-CG 3.31Å; A246-L250 WeakPolarHBondContact O-CG 3.37Å; A246-L250 PolarHBondContact O-N 3.09Å; A246-L309 HydrophobicContact CB-CD1 4.39Å; A246-L309 HydrophobicContact CB-CD2 3.77Å
247T95.9Very high95.1Very high14 Ų1419.9 Ų19.99%0.08610%0.104CC..Hα-helixtrans-57.7-41.7178.4-50.60000112.4I100 I144 L172 L175 T243 A251I100-T247 HydrophobicContact CG2-CG2 4.14Å; I144-T247 HydrophobicContact CD1-CG2 3.77Å; I144-T247 HydrophobicContact CG2-CG2 3.83Å; L172-T247 HydrophobicContact CD2-CG2 3.97Å; L175-T247 HydrophobicContact CD2-CG2 3.77Å; T243-T247 PolarHBondContact O-N 3.36Å; T243-T247 PolarHBondContact O-OG1 3.2Å; T247-A251 WeakPolarHBondContact O-CB 3.37Å; T247-A251 PolarHBondContact O-N 3.5Å
248L96.6Very high95Very high2 Ų222.2 Ų22.21%0.0111%0.113CC..Hα-helixtrans-69.9-38177.8-74.9169.4000113L172 L175 L244 C245 A246 F252 L333 L336 L340L172-L248 HydrophobicContact CD2-CD2 4.29Å; L175-L248 HydrophobicContact CB-CD1 4.25Å; L175-L248 HydrophobicContact CB-CD2 3.82Å; L175-L248 HydrophobicContact CB-CG 3.99Å; L175-L248 HydrophobicContact CD2-CG 4.41Å; L244-L248 WeakPolarHBondContact O-CB 3.47Å; L244-L248 WeakPolarHBondContact O-CG 3.31Å; L244-L248 PolarHBondContact O-N 3.15Å; L244-L248 VanDerWaalsContact O-N 3.12Å; C245-L248 PolarHBondContact O-N 3.27Å; A246-L248 VanDerWaalsContact C-N 3.32Å; A246-L248 PolarHBondContact O-N 2.94Å; L248-F252 WeakPolarHBondContact O-CB 3.33Å; L248-F252 PolarHBondContact O-N 3.07Å; L248-L333 HydrophobicContact CD1-CD2 3.96Å; L248-L336 HydrophobicContact CB-CB 4.1Å; L248-L336 HydrophobicContact CB-CD1 4.16Å; L248-L336 HydrophobicContact CD1-CB 3.82Å; L248-L336 HydrophobicContact CD1-CD1 4.27Å; L248-L340 HydrophobicContact CD2-CD2 3.64Å
249L95.3Very high94.9Very high1 Ų119.6 Ų19.61%0.00510%0.103CC..Hα-helixtrans-69.5-38176.3-72.1169.2000111.9C245 A246 F252 K253 L286 M303 V305 R308 L309 L312 L336C245-L249 WeakPolarHBondContact O-CB 3.29Å; C245-L249 VanDerWaalsContact O-CG 3.23Å; C245-L249 WeakPolarHBondContact O-CG 3.11Å; C245-L249 PolarHBondContact O-N 3.17Å; A246-L249 PolarHBondContact O-N 3.42Å; L249-F252 PolarHBondContact O-N 3.47Å; L249-K253 PolarHBondContact O-N 2.96Å; L249-L286 HydrophobicContact CD2-CD1 3.85Å; L249-L286 HydrophobicContact CD2-CD2 3.92Å; L249-L286 HydrophobicContact CD2-CG 4.11Å; L249-M303 VanDerWaalsContact O-CE 3.32Å; L249-M303 WeakPolarHBondContact O-CE 3.2Å; L249-V305 HydrophobicContact CB-CG1 3.88Å; L249-V305 HydrophobicContact CB-CG2 4.38Å; L249-V305 HydrophobicContact CD1-CG1 4.35Å; L249-R308 HydrophobicContact CD1-CB 4.5Å; L249-R308 HydrophobicContact CD1-CG 4.24Å; L249-R308 HydrophobicContact CD2-CG 3.95Å; L249-L309 HydrophobicContact CD1-CB 3.99Å; L249-L309 HydrophobicContact CD1-CD1 4.38Å; L249-L312 HydrophobicContact CD1-CD1 4.47Å; L249-L336 HydrophobicContact CD2-CD2 3.84Å; L249-L336 HydrophobicContact CG-CD1 4.5Å; L249-L336 HydrophobicContact CG-CD2 4.33Å
250L94.4Very high94.7Very high52 Ų5217.7 Ų17.727%0.27210%0.095SC..Hα-helixtrans-65.8-45.7175-72.4169.9000111.7A246 F252 K253 G254A246-L250 WeakPolarHBondContact O-CB 3.3Å; A246-L250 VanDerWaalsContact O-CG 3.31Å; A246-L250 WeakPolarHBondContact O-CG 3.37Å; A246-L250 PolarHBondContact O-N 3.09Å; L250-F252 VanDerWaalsContact C-N 3.31Å; L250-F252 PolarHBondContact O-N 3.37Å; L250-K253 PolarHBondContact O-N 3.02Å; L250-G254 PolarHBondContact O-N 3.44Å
251A96Very high94.5Very high2 Ų220.8 Ų20.82%0.01711%0.114CC..Hα-helixtrans-60.3-39.5174.100000112.4I144 L172 T247 L255 L340I144-A251 HydrophobicContact CG2-CB 4.07Å; L172-A251 HydrophobicContact CB-CB 4.1Å; L172-A251 HydrophobicContact CD2-CB 4.07Å; T247-A251 WeakPolarHBondContact O-CB 3.37Å; T247-A251 PolarHBondContact O-N 3.5Å; A251-L255 WeakPolarHBondContact O-CB 3.18Å; A251-L255 PolarHBondContact O-N 3.12Å; A251-L255 VanDerWaalsContact O-N 3.09Å; A251-L340 HydrophobicContact CB-CD1 4.38Å; A251-L340 HydrophobicContact CB-CD2 4.02Å
252F95.6Very high94.2Very high3 Ų320.8 Ų20.81%0.01311%0.114CC..Hα-helixtrans-65.2-43.8174.1-168.7-76.1000111.8L248 L249 L250 H256 L282 Y283 L286 M303 L339 L340 L343L248-F252 WeakPolarHBondContact O-CB 3.33Å; L248-F252 PolarHBondContact O-N 3.07Å; L249-F252 PolarHBondContact O-N 3.47Å; L250-F252 VanDerWaalsContact C-N 3.31Å; L250-F252 PolarHBondContact O-N 3.37Å; F252-H256 VanDerWaalsContact O-CB 3.27Å; F252-H256 WeakPolarHBondContact O-CB 3.47Å; F252-H256 PolarHBondContact O-N 3Å; F252-L282 HydrophobicContact CZ-CB 4.23Å; F252-Y283 HydrophobicContact CE1-CD2 4.2Å; F252-L286 HydrophobicContact CB-CD2 4.41Å; F252-L286 HydrophobicContact CD1-CD2 3.43Å; F252-L286 VanDerWaalsContact CD1-CD2 3.43Å; F252-L286 HydrophobicContact CD2-CD2 4.22Å; F252-L286 HydrophobicContact CE1-CD2 3.6Å; F252-L286 HydrophobicContact CE2-CD2 4.36Å; F252-L286 HydrophobicContact CG-CD2 3.77Å; F252-L286 HydrophobicContact CZ-CB 4.48Å; F252-L286 HydrophobicContact CZ-CD2 4.07Å; F252-M303 HydrophobicContact CD1-CE 4.08Å; F252-M303 HydrophobicContact CD1-SD 3.73Å; F252-M303 HydrophobicContact CE1-SD 4.11Å; F252-L339 HydrophobicContact CD2-CB 4.49Å; F252-L339 HydrophobicContact CE2-CB 4.03Å; F252-L340 HydrophobicContact CB-CD1 4.12Å; F252-L340 HydrophobicContact CD2-CB 4.45Å; F252-L340 HydrophobicContact CD2-CD1 4.32Å; F252-L343 HydrophobicContact CD1-CD2 4.01Å; F252-L343 HydrophobicContact CD2-CB 4.32Å; F252-L343 HydrophobicContact CD2-CD2 3.73Å; F252-L343 HydrophobicContact CE1-CD2 4.04Å; F252-L343 HydrophobicContact CE2-CB 3.89Å; F252-L343 HydrophobicContact CE2-CD2 3.74Å; F252-L343 HydrophobicContact CE2-CG 4.34Å; F252-L343 HydrophobicContact CG-CD2 3.87Å; F252-L343 HydrophobicContact CZ-CB 4.44Å; F252-L343 HydrophobicContact CZ-CD2 3.91Å
253K93.3Very high93.9Very high32 Ų3218.3 Ų18.314%0.13911%0.107CC..Hα-helixtrans-59.6-50176.1-168.6170.2-179.3165.30110.7L249 L250 H256 S257 E302 M303 V305L249-K253 PolarHBondContact O-N 2.96Å; L250-K253 PolarHBondContact O-N 3.02Å; K253-H256 PolarHBondContact O-N 3.35Å; K253-S257 VanDerWaalsContact O-CB 3.28Å; K253-S257 WeakPolarHBondContact O-CB 3.3Å; K253-S257 PolarHBondContact O-N 2.68Å; K253-S257 PolarHBondContact O-OG 3.27Å; K253-E302 WeakPolarHBondContact CE-OE1 3.3Å; K253-E302 IonicContact NZ-OE1 2.71Å; K253-E302 PolarHBondContact NZ-OE1 3.21Å; K253-M303 HydrophobicContact CB-CE 3.77Å; K253-M303 HydrophobicContact CD-CB 4.16Å; K253-M303 HydrophobicContact CG-CB 4.19Å; K253-M303 HydrophobicContact CG-CE 4.45Å; K253-M303 PolarHBondContact NZ-O 3.5Å; K253-V305 HydrophobicContact CB-CG2 4.32Å; K253-V305 HydrophobicContact CD-CG2 3.85Å
254G93.7Very high93.6Very high11 Ų1123.2 Ų23.211%0.11313%0.127CC..Hα-helixtrans-56-55.2-179.500000113C145 L250 H256 S257 Y258C145-G254 WeakPolarHBondContact O-CA 3.32Å; L250-G254 PolarHBondContact O-N 3.44Å; G254-H256 VanDerWaalsContact C-N 3.35Å; G254-H256 PolarHBondContact O-N 2.92Å; G254-S257 PolarHBondContact O-N 3.28Å; G254-Y258 WeakPolarHBondContact O-CB 3.09Å; G254-Y258 PolarHBondContact O-N 2.79Å
255L95Very high93.1Very high4 Ų428.8 Ų28.82%0.02115%0.153CC..Hα-helixtrans-62.1-40.3-179.8-178.262.5000112.4A251 F259 L343 W344 F347A251-L255 WeakPolarHBondContact O-CB 3.18Å; A251-L255 PolarHBondContact O-N 3.12Å; A251-L255 VanDerWaalsContact O-N 3.09Å; L255-F259 PolarHBondContact O-N 2.81Å; L255-F259 VanDerWaalsContact O-N 3.15Å; L255-L343 HydrophobicContact CB-CD2 4.07Å; L255-L343 HydrophobicContact CD2-CB 4.41Å; L255-L343 HydrophobicContact CD2-CD2 3.91Å; L255-L343 HydrophobicContact CD2-CG 3.83Å; L255-L343 HydrophobicContact CG-CD2 4.05Å; L255-L343 HydrophobicContact CG-CG 4.18Å; L255-W344 HydrophobicContact CD1-CE3 4.07Å; L255-W344 HydrophobicContact CD1-CZ3 4.23Å; L255-W344 HydrophobicContact CD2-CB 4.17Å; L255-W344 HydrophobicContact CD2-CE3 3.96Å; L255-F347 HydrophobicContact CD1-CB 4.36Å; L255-F347 HydrophobicContact CD1-CD1 3.83Å; L255-F347 HydrophobicContact CD1-CD2 3.89Å; L255-F347 HydrophobicContact CD1-CE1 4Å; L255-F347 HydrophobicContact CD1-CE2 4.07Å; L255-F347 HydrophobicContact CD1-CG 3.77Å; L255-F347 HydrophobicContact CD1-CZ 4.11Å
256H92.8Very high92.7Very high6 Ų629.2 Ų29.23%0.02816%0.156CC..Hα-helixtrans-66.6-50.7176.3-172.3-95.7000111.3F252 K253 G254 Y258 F259 I260 Y283 L343F252-H256 VanDerWaalsContact O-CB 3.27Å; F252-H256 WeakPolarHBondContact O-CB 3.47Å; F252-H256 PolarHBondContact O-N 3Å; K253-H256 PolarHBondContact O-N 3.35Å; G254-H256 VanDerWaalsContact C-N 3.35Å; G254-H256 PolarHBondContact O-N 2.92Å; H256-Y258 PolarHBondContact O-N 3.26Å; H256-F259 PolarHBondContact O-N 3.46Å; H256-I260 WeakPolarHBondContact O-CG1 3.5Å; H256-I260 PolarHBondContact O-N 3.01Å; H256-Y283 AromaticContact CE1-CD2 3.7Å; H256-Y283 AromaticContact ND1-CD2 3.86Å; H256-Y283 AromaticContact NE2-CD2 3.9Å; H256-L343 HydrophobicContact CB-CD2 4.12Å
257S92.2Very high91.7Very high54 Ų5433.1 Ų33.138%0.37818%0.18SC..Hα-helixtrans-59-44.5178.8-74.10000112.4K253 G254 F259 I260 T261K253-S257 VanDerWaalsContact O-CB 3.28Å; K253-S257 WeakPolarHBondContact O-CB 3.3Å; K253-S257 PolarHBondContact O-N 2.68Å; K253-S257 PolarHBondContact O-OG 3.27Å; G254-S257 PolarHBondContact O-N 3.28Å; S257-F259 VanDerWaalsContact C-N 3.34Å; S257-F259 PolarHBondContact O-N 2.96Å; S257-I260 PolarHBondContact O-N 3.11Å; S257-T261 PolarHBondContact O-N 3.42Å; S257-T261 PolarHBondContact O-OG1 3.32Å
258Y93.6Very high90.5Very high49 Ų4937.8 Ų37.819%0.19221%0.213CC..Hα-helixtrans-59.2-44.4174.9174.7-92000111.8H149 G254 H256 I260 T261 V262 F347H149-Y258 HydrophobicContact CB-CD1 4.41Å; H149-Y258 HydrophobicContact CB-CE1 3.71Å; H149-Y258 HydrophobicContact CB-CE2 3.82Å; H149-Y258 WeakPolarHBondContact CB-OH 3.49Å; H149-Y258 AromaticContact CD2-CD1 3.22Å; H149-Y258 WeakPolarHBondContact CD2-CD1 3.36Å; H149-Y258 AromaticContact CD2-CD2 3.84Å; H149-Y258 AromaticContact CD2-CE1 3.41Å; H149-Y258 VanDerWaalsContact CD2-CE1 3.41Å; H149-Y258 WeakPolarHBondContact CD2-CE1 3.41Å; H149-Y258 AromaticContact CD2-CE2 3.98Å; H149-Y258 AromaticContact CD2-CG 3.48Å; H149-Y258 VanDerWaalsContact CD2-CG 3.48Å; H149-Y258 AromaticContact CD2-CZ 3.8Å; H149-Y258 AromaticContact CG-CD1 3.94Å; H149-Y258 AromaticContact CG-CE1 3.62Å; H149-Y258 AromaticContact CG-CZ 3.81Å; H149-Y258 AromaticContact NE2-CD1 3.89Å; G254-Y258 WeakPolarHBondContact O-CB 3.09Å; G254-Y258 PolarHBondContact O-N 2.79Å; H256-Y258 PolarHBondContact O-N 3.26Å; Y258-I260 VanDerWaalsContact C-N 3.34Å; Y258-I260 PolarHBondContact O-N 3.39Å; Y258-T261 PolarHBondContact O-N 3.44Å; Y258-V262 HydrophobicContact CD1-CG2 4.12Å; Y258-V262 HydrophobicContact CE1-CG2 3.51Å; Y258-V262 HydrophobicContact CE2-CG2 4.09Å; Y258-V262 VanDerWaalsContact CZ-CG2 3.47Å; Y258-V262 WeakPolarHBondContact O-CG2 3.43Å; Y258-V262 PolarHBondContact O-N 2.98Å; Y258-F347 AromaticContact CD1-CE2 3.76Å; Y258-F347 HydrophobicContact CD1-CE2 3.76Å; Y258-F347 AromaticContact CD1-CZ 3.89Å; Y258-F347 HydrophobicContact CD1-CZ 3.89Å; Y258-F347 AromaticContact CE1-CE2 3.9Å; Y258-F347 HydrophobicContact CE1-CE2 3.9Å; Y258-F347 AromaticContact CE1-CZ 3.76Å; Y258-F347 HydrophobicContact CE1-CZ 3.76Å
259F92.6Very high89.5Confident0 Ų039.5 Ų39.50%022%0.224CC..Hα-helixtrans-61.7-41.7175.5-179-96.6000112.2L255 H256 S257 T261 V262 T263 L272 A275 K276 M279 F347 A350 I351L255-F259 PolarHBondContact O-N 2.81Å; L255-F259 VanDerWaalsContact O-N 3.15Å; H256-F259 PolarHBondContact O-N 3.46Å; S257-F259 VanDerWaalsContact C-N 3.34Å; S257-F259 PolarHBondContact O-N 2.96Å; F259-T261 PolarHBondContact O-N 3.19Å; F259-V262 PolarHBondContact O-N 3.27Å; F259-T263 HydrophobicContact CD1-CG2 4Å; F259-T263 HydrophobicContact CE1-CG2 3.41Å; F259-T263 VanDerWaalsContact CE1-CG2 3.41Å; F259-T263 HydrophobicContact CE2-CG2 4.03Å; F259-T263 HydrophobicContact CZ-CG2 3.43Å; F259-T263 VanDerWaalsContact CZ-CG2 3.43Å; F259-T263 WeakPolarHBondContact O-CG2 3.43Å; F259-T263 PolarHBondContact O-N 2.98Å; F259-T263 PolarHBondContact O-OG1 2.9Å; F259-L272 HydrophobicContact CE2-CD2 4.02Å; F259-L272 HydrophobicContact CZ-CD2 4.27Å; F259-A275 HydrophobicContact CE1-CB 4.44Å; F259-A275 HydrophobicContact CE2-CB 4.44Å; F259-A275 HydrophobicContact CZ-CB 3.73Å; F259-K276 HydrophobicContact CE1-CB 3.98Å; F259-M279 HydrophobicContact CB-SD 4.11Å; F259-M279 HydrophobicContact CD1-CE 3.78Å; F259-M279 HydrophobicContact CD1-SD 3.37Å; F259-M279 WeakPolarHBondContact CD1-SD 3.39Å; F259-M279 HydrophobicContact CD2-CE 3.6Å; F259-M279 HydrophobicContact CD2-SD 4.17Å; F259-M279 HydrophobicContact CE1-CE 3.82Å; F259-M279 HydrophobicContact CE1-SD 3.79Å; F259-M279 HydrophobicContact CE2-CE 3.63Å; F259-M279 HydrophobicContact CG-CE 3.67Å; F259-M279 HydrophobicContact CG-SD 3.58Å; F259-M279 VanDerWaalsContact CG-SD 3.58Å; F259-M279 HydrophobicContact CZ-CE 3.75Å; F259-M279 HydrophobicContact CZ-SD 4.35Å; F259-F347 HydrophobicContact CB-CD2 4.03Å; F259-F347 HydrophobicContact CB-CE2 4.22Å; F259-F347 AromaticContact CD2-CD2 3.78Å; F259-F347 HydrophobicContact CD2-CD2 3.78Å; F259-F347 HydrophobicContact CD2-CE2 4.15Å; F259-F347 HydrophobicContact CG-CD2 4.28Å; F259-A350 HydrophobicContact CE2-CB 3.84Å; F259-A350 HydrophobicContact CZ-CB 4.31Å; F259-I351 HydrophobicContact CD2-CG2 3.99Å; F259-I351 HydrophobicContact CE2-CG2 3.94Å
260I90.1Very high88.7Confident21 Ų2147.5 Ų47.511%0.10826%0.262CS..Hα-helixtrans-58.5-49.2176.1-64.1-64.2000110.7H256 S257 Y258 V262 T263 E264 K276 L300H256-I260 WeakPolarHBondContact O-CG1 3.5Å; H256-I260 PolarHBondContact O-N 3.01Å; S257-I260 PolarHBondContact O-N 3.11Å; Y258-I260 VanDerWaalsContact C-N 3.34Å; Y258-I260 PolarHBondContact O-N 3.39Å; I260-V262 PolarHBondContact O-N 2.98Å; I260-T263 PolarHBondContact O-N 3.15Å; I260-T263 VanDerWaalsContact O-N 3.11Å; I260-T263 PolarHBondContact O-OG1 3.45Å; I260-E264 VanDerWaalsContact CG2-OE1 3.25Å; I260-E264 WeakPolarHBondContact CG2-OE1 3.33Å; I260-E264 PolarHBondContact O-N 3.3Å; I260-K276 HydrophobicContact CD1-CD 4.25Å; I260-K276 HydrophobicContact CD1-CG 3.99Å; I260-L300 HydrophobicContact CD1-CD1 3.96Å; I260-L300 HydrophobicContact CG2-CD1 4.45Å
261T91.2Very high88.2Confident67 Ų6749.6 Ų49.641%0.41127%0.269SS..Hα-helixtrans-56-47.8174.9-54.60000111.8S257 Y258 F259 T263 E264 E265S257-T261 PolarHBondContact O-N 3.42Å; S257-T261 PolarHBondContact O-OG1 3.32Å; Y258-T261 PolarHBondContact O-N 3.44Å; F259-T261 PolarHBondContact O-N 3.19Å; T261-T263 VanDerWaalsContact C-N 3.27Å; T261-T263 PolarHBondContact O-N 2.73Å; T261-E264 WeakPolarHBondContact O-CA 3.48Å; T261-E264 PolarHBondContact O-N 2.89Å; T261-E265 HydrophobicContact CG2-CG 4.29Å; T261-E265 PolarHBondContact O-N 3.29Å
262V89.9Confident87.8Confident2 Ų249.7 Ų49.71%0.01227%0.269CS..Hα-helixtrans-58-38177.2165.60000112.2Y258 F259 I260 E264 I266 L357Y258-V262 HydrophobicContact CD1-CG2 4.12Å; Y258-V262 HydrophobicContact CE1-CG2 3.51Å; Y258-V262 HydrophobicContact CE2-CG2 4.09Å; Y258-V262 VanDerWaalsContact CZ-CG2 3.47Å; Y258-V262 WeakPolarHBondContact O-CG2 3.43Å; Y258-V262 PolarHBondContact O-N 2.98Å; F259-V262 PolarHBondContact O-N 3.27Å; I260-V262 PolarHBondContact O-N 2.98Å; V262-E264 PolarHBondContact O-N 3.43Å; V262-I266 HydrophobicContact CG1-CD1 3.63Å; V262-I266 HydrophobicContact CG1-CG1 4.37Å; V262-I266 WeakPolarHBondContact O-CB 3.47Å; V262-I266 WeakPolarHBondContact O-CG1 3.27Å; V262-I266 PolarHBondContact O-N 3.14Å; V262-I266 VanDerWaalsContact O-N 3.12Å; V262-L357 HydrophobicContact CG1-CD1 3.99Å; V262-L357 HydrophobicContact CG1-CD2 4.47Å; V262-L357 HydrophobicContact CG2-CD1 3.92Å
263T88.9Confident87.4Confident20 Ų2053.7 Ų53.712%0.12329%0.29CS..Hα-helixtrans-75.2-4.8175.163.30000115.2F259 I260 T261 L272 K276F259-T263 HydrophobicContact CD1-CG2 4Å; F259-T263 HydrophobicContact CE1-CG2 3.41Å; F259-T263 VanDerWaalsContact CE1-CG2 3.41Å; F259-T263 HydrophobicContact CE2-CG2 4.03Å; F259-T263 HydrophobicContact CZ-CG2 3.43Å; F259-T263 VanDerWaalsContact CZ-CG2 3.43Å; F259-T263 WeakPolarHBondContact O-CG2 3.43Å; F259-T263 PolarHBondContact O-N 2.98Å; F259-T263 PolarHBondContact O-OG1 2.9Å; I260-T263 PolarHBondContact O-N 3.15Å; I260-T263 VanDerWaalsContact O-N 3.11Å; I260-T263 PolarHBondContact O-OG1 3.45Å; T261-T263 VanDerWaalsContact C-N 3.27Å; T261-T263 PolarHBondContact O-N 2.73Å; T263-L272 HydrophobicContact CG2-CB 3.95Å; T263-K276 HydrophobicContact CG2-CD 4.32Å; T263-K276 WeakPolarHBondContact OG1-CD 3.33Å; T263-K276 WeakPolarHBondContact OG1-CE 3.37Å; T263-K276 PolarHBondContact OG1-NZ 3.05Å
264E88.8Confident87.1Confident132 Ų13258.3 Ų58.362%0.61732%0.316SS*.Hα-helixtrans-107.8-26.6178.9-75.9163.8-156.500111.9I260 T261 V262 K276I260-E264 VanDerWaalsContact CG2-OE1 3.25Å; I260-E264 WeakPolarHBondContact CG2-OE1 3.33Å; I260-E264 PolarHBondContact O-N 3.3Å; T261-E264 WeakPolarHBondContact O-CA 3.48Å; T261-E264 PolarHBondContact O-N 2.89Å; V262-E264 PolarHBondContact O-N 3.43Å; E264-K276 IonicContact OE1-NZ 2.73Å; E264-K276 PolarHBondContact OE1-NZ 2.9Å
265E88Confident86.8Confident116 Ų11658.4 Ų58.454%0.54232%0.316SS..Hα-helixtrans-87.3-31.4173.3-62.4-175.4146.900113.6T261 L360T261-E265 HydrophobicContact CG2-CG 4.29Å; T261-E265 PolarHBondContact O-N 3.29Å; E265-L360 HydrophobicContact CB-CD1 3.72Å
266I86.8Confident86.5Confident10 Ų1060.4 Ų60.45%0.05132%0.324CS..SBendtrans-84.7136.9178.1-63.9-178.6000110.7V262 S268 L272 D356 L357 L360V262-I266 HydrophobicContact CG1-CD1 3.63Å; V262-I266 HydrophobicContact CG1-CG1 4.37Å; V262-I266 WeakPolarHBondContact O-CB 3.47Å; V262-I266 WeakPolarHBondContact O-CG1 3.27Å; V262-I266 PolarHBondContact O-N 3.14Å; V262-I266 VanDerWaalsContact O-N 3.12Å; I266-S268 PolarHBondContact O-N 2.94Å; I266-L272 HydrophobicContact CB-CD1 4.19Å; I266-L272 HydrophobicContact CD1-CD1 4.39Å; I266-L272 HydrophobicContact CG2-CD1 3.93Å; I266-D356 HydrophobicContact CG2-CB 3.89Å; I266-L357 HydrophobicContact CD1-CB 3.62Å; I266-L357 HydrophobicContact CD1-CD1 4.17Å; I266-L357 HydrophobicContact CD1-CG 4.44Å; I266-L360 HydrophobicContact CG1-CD1 4.5Å
267P75.5Confident86.3Confident98 Ų9863 Ų6364%0.63635%0.347SS*.  trans-51.6137.5173.5-2835.7000113.2C269P267-C269 PolarHBondContact O-N 3.41Å
268S70.8Confident86.1Confident111 Ų11162.8 Ų62.878%0.77635%0.345SS*.  trans-49.7104.1-169.559.50000113.4I266I266-S268 PolarHBondContact O-N 2.94Å
269C74.2Confident85.9Confident38 Ų3860.4 Ų60.426%0.25734%0.336SS..  trans-107.6121.3-177.9175.80000109.2P267 K271 L272 D273P267-C269 PolarHBondContact O-N 3.41Å; C269-K271 PolarHBondContact O-N 3.2Å; C269-L272 HydrophobicContact CB-CB 4.24Å; C269-L272 HydrophobicContact CB-CD1 4.03Å; C269-L272 HydrophobicContact CB-CG 3.97Å; C269-L272 WeakPolarHBondContact O-CA 3.43Å; C269-L272 WeakPolarHBondContact O-CB 3.34Å; C269-L272 PolarHBondContact O-N 3.47Å; C269-D273 PolarHBondContact O-N 3.39Å
270Q80.4Confident85.6Confident169 Ų16962.1 Ų62.179%0.7934%0.344SS*.Hα-helixtrans-55.5-27.6-176.3-169179.525.700113.5L274Q270-L274 WeakPolarHBondContact O-CB 3.36Å; Q270-L274 PolarHBondContact O-N 2.96Å; Q270-L274 VanDerWaalsContact O-N 3.09Å
271K83.7Confident85.5Confident97 Ų9764.5 Ų64.542%0.42236%0.359SS..Hα-helixtrans-65.9-45.1172.9-168.3-167.2-177-155.40111.5C269 A275 E349 A350C269-K271 PolarHBondContact O-N 3.2Å; K271-A275 WeakPolarHBondContact O-CB 3.4Å; K271-A275 PolarHBondContact O-N 3.45Å; K271-E349 WeakPolarHBondContact CE-O 3.39Å; K271-E349 PolarHBondContact NZ-O 3.18Å; K271-A350 VanDerWaalsContact CE-O 3.32Å; K271-A350 WeakPolarHBondContact CE-O 3.34Å; K271-A350 PolarHBondContact NZ-O 3.13Å
272L87.1Confident85.5Confident4 Ų461.5 Ų61.52%0.02134%0.34CS..Hα-helixtrans-69.3-40.3176.8-62.9-177000111.5F259 T263 I266 C269 L274 A275 K276 A350 I351F259-L272 HydrophobicContact CE2-CD2 4.02Å; F259-L272 HydrophobicContact CZ-CD2 4.27Å; T263-L272 HydrophobicContact CG2-CB 3.95Å; I266-L272 HydrophobicContact CB-CD1 4.19Å; I266-L272 HydrophobicContact CD1-CD1 4.39Å; I266-L272 HydrophobicContact CG2-CD1 3.93Å; C269-L272 HydrophobicContact CB-CB 4.24Å; C269-L272 HydrophobicContact CB-CD1 4.03Å; C269-L272 HydrophobicContact CB-CG 3.97Å; C269-L272 WeakPolarHBondContact O-CA 3.43Å; C269-L272 WeakPolarHBondContact O-CB 3.34Å; C269-L272 PolarHBondContact O-N 3.47Å; L272-L274 PolarHBondContact O-N 2.81Å; L272-A275 PolarHBondContact O-N 2.71Å; L272-K276 WeakPolarHBondContact O-CB 3.5Å; L272-K276 PolarHBondContact O-N 2.76Å; L272-A350 HydrophobicContact CD2-CB 4.29Å; L272-I351 HydrophobicContact CD2-CG2 4.48Å
273D86.4Confident85.3Confident86 Ų8661.6 Ų61.646%0.4634%0.341SS..Hα-helixtrans-60.8-45.9176.1-65.5-47.5000112C269 A275 K276 A277C269-D273 PolarHBondContact O-N 3.39Å; D273-A275 VanDerWaalsContact C-N 3.35Å; D273-K276 PolarHBondContact O-N 2.88Å; D273-A277 PolarHBondContact O-N 3.44Å; D273-A277 VanDerWaalsContact O-N 3.07Å
274L86.8Confident85.1Confident129 Ų12963 Ų6368%0.67535%0.346SS*.Hα-helixtrans-65.1-39.3176.7-178.461.3000111.5Q270 L272 A277 S278Q270-L274 WeakPolarHBondContact O-CB 3.36Å; Q270-L274 PolarHBondContact O-N 2.96Å; Q270-L274 VanDerWaalsContact O-N 3.09Å; L272-L274 PolarHBondContact O-N 2.81Å; L274-A277 PolarHBondContact O-N 3.47Å; L274-S278 WeakPolarHBondContact O-CB 3.33Å; L274-S278 PolarHBondContact O-N 2.98Å
275A88.4Confident85.1Confident13 Ų1363.8 Ų63.811%0.10734%0.343CS..Hα-helixtrans-65.9-42.5174.500000112.2F259 K271 L272 D273 A277 S278 M279 A350F259-A275 HydrophobicContact CE1-CB 4.44Å; F259-A275 HydrophobicContact CE2-CB 4.44Å; F259-A275 HydrophobicContact CZ-CB 3.73Å; K271-A275 WeakPolarHBondContact O-CB 3.4Å; K271-A275 PolarHBondContact O-N 3.45Å; L272-A275 PolarHBondContact O-N 2.71Å; D273-A275 VanDerWaalsContact C-N 3.35Å; A275-A277 VanDerWaalsContact C-N 3.33Å; A275-A277 PolarHBondContact O-N 2.88Å; A275-S278 CarbonylContact O-C 3.59Å; A275-S278 WeakPolarHBondContact O-CA 3.34Å; A275-S278 WeakPolarHBondContact O-CB 3.45Å; A275-S278 PolarHBondContact O-N 2.93Å; A275-M279 HydrophobicContact CB-CE 4.39Å; A275-M279 WeakPolarHBondContact O-CG 3.01Å; A275-M279 PolarHBondContact O-N 3.29Å; A275-A350 HydrophobicContact CB-CB 3.52Å
276K88.9Confident85Confident47 Ų4758.4 Ų58.420%0.20432%0.318CS..Hα-helixtrans-56.7-45.1174.7-165.8165.9-172.5157.30111F259 I260 T263 E264 L272 D273 S278 Q280F259-K276 HydrophobicContact CE1-CB 3.98Å; I260-K276 HydrophobicContact CD1-CD 4.25Å; I260-K276 HydrophobicContact CD1-CG 3.99Å; T263-K276 HydrophobicContact CG2-CD 4.32Å; T263-K276 WeakPolarHBondContact OG1-CD 3.33Å; T263-K276 WeakPolarHBondContact OG1-CE 3.37Å; T263-K276 PolarHBondContact OG1-NZ 3.05Å; E264-K276 IonicContact OE1-NZ 2.73Å; E264-K276 PolarHBondContact OE1-NZ 2.9Å; L272-K276 WeakPolarHBondContact O-CB 3.5Å; L272-K276 PolarHBondContact O-N 2.76Å; D273-K276 PolarHBondContact O-N 2.88Å; K276-S278 PolarHBondContact O-N 3.13Å; K276-Q280 PolarHBondContact O-N 2.69Å; K276-Q280 VanDerWaalsContact O-N 3.09Å
277A87.5Confident84.7Confident60 Ų6059.4 Ų59.450%0.49632%0.323SS..Hα-helixtrans-64.4-36.9173.300000113.4D273 L274 A275D273-A277 PolarHBondContact O-N 3.44Å; D273-A277 VanDerWaalsContact O-N 3.07Å; L274-A277 PolarHBondContact O-N 3.47Å; A275-A277 VanDerWaalsContact C-N 3.33Å; A275-A277 PolarHBondContact O-N 2.88Å
278S88.3Confident84.4Confident49 Ų4958.6 Ų58.634%0.34331%0.308SS..Hα-helixtrans-71.6-41.6179.2-157.30000112.8L274 A275 K276 V281 L282 Q346L274-S278 WeakPolarHBondContact O-CB 3.33Å; L274-S278 PolarHBondContact O-N 2.98Å; A275-S278 CarbonylContact O-C 3.59Å; A275-S278 WeakPolarHBondContact O-CA 3.34Å; A275-S278 WeakPolarHBondContact O-CB 3.45Å; A275-S278 PolarHBondContact O-N 2.93Å; K276-S278 PolarHBondContact O-N 3.13Å; S278-V281 WeakPolarHBondContact O-CB 3.38Å; S278-V281 PolarHBondContact O-N 3.14Å; S278-V281 VanDerWaalsContact O-N 3.12Å; S278-L282 PolarHBondContact O-N 2.9Å; S278-Q346 VanDerWaalsContact C-OE1 3.28Å; S278-Q346 PolarHBondContact O-OE1 2.87Å; S278-Q346 PolarHBondContact OG-NE2 2.89Å
279M90.3Very high83.8Confident0 Ų058.9 Ų58.90%029%0.292CS..Hα-helixtrans-67.6-37.6177-67.2-171.2-159.600111.6F259 A275 V281 L282 Y283 L343 Q346 F347F259-M279 HydrophobicContact CB-SD 4.11Å; F259-M279 HydrophobicContact CD1-CE 3.78Å; F259-M279 HydrophobicContact CD1-SD 3.37Å; F259-M279 WeakPolarHBondContact CD1-SD 3.39Å; F259-M279 HydrophobicContact CD2-CE 3.6Å; F259-M279 HydrophobicContact CD2-SD 4.17Å; F259-M279 HydrophobicContact CE1-CE 3.82Å; F259-M279 HydrophobicContact CE1-SD 3.79Å; F259-M279 HydrophobicContact CE2-CE 3.63Å; F259-M279 HydrophobicContact CG-CE 3.67Å; F259-M279 HydrophobicContact CG-SD 3.58Å; F259-M279 VanDerWaalsContact CG-SD 3.58Å; F259-M279 HydrophobicContact CZ-CE 3.75Å; F259-M279 HydrophobicContact CZ-SD 4.35Å; A275-M279 HydrophobicContact CB-CE 4.39Å; A275-M279 WeakPolarHBondContact O-CG 3.01Å; A275-M279 PolarHBondContact O-N 3.29Å; M279-V281 PolarHBondContact O-N 3.44Å; M279-L282 WeakPolarHBondContact O-CA 3.41Å; M279-L282 WeakPolarHBondContact O-CB 3.48Å; M279-L282 PolarHBondContact O-N 3.4Å; M279-Y283 PolarHBondContact O-N 2.98Å; M279-L343 HydrophobicContact CB-CD1 3.94Å; M279-L343 HydrophobicContact CG-CD1 3.71Å; M279-L343 HydrophobicContact SD-CD1 3.62Å; M279-Q346 HydrophobicContact CE-CB 4.17Å; M279-Q346 HydrophobicContact CG-CB 4.23Å; M279-F347 HydrophobicContact CE-CB 4.06Å
280Q86.3Confident82Confident35 Ų3563.9 Ų63.916%0.16432%0.321CS..Hα-helixtrans-56.8-32.8171.8-168.768.934.200111.5K276 L282 Y283 E284K276-Q280 PolarHBondContact O-N 2.69Å; K276-Q280 VanDerWaalsContact O-N 3.09Å; Q280-L282 VanDerWaalsContact C-N 3.35Å; Q280-L282 PolarHBondContact O-N 3.41Å; Q280-Y283 VanDerWaalsContact NE2-CD1 3.34Å; Q280-Y283 WeakPolarHBondContact O-CB 3.41Å; Q280-Y283 PolarHBondContact O-N 2.93Å; Q280-E284 PolarHBondContact NE2-OE1 3.24Å; Q280-E284 WeakPolarHBondContact O-CG 3.5Å; Q280-E284 PolarHBondContact O-N 2.95Å
281V88.5Confident79.8Confident71 Ų7164.1 Ų64.143%0.4332%0.322SS..Hα-helixtrans-70.2-29.7174.9176.90000112.3S278 M279 R285S278-V281 WeakPolarHBondContact O-CB 3.38Å; S278-V281 PolarHBondContact O-N 3.14Å; S278-V281 VanDerWaalsContact O-N 3.12Å; M279-V281 PolarHBondContact O-N 3.44Å; V281-R285 WeakPolarHBondContact O-CB 3.33Å; V281-R285 VanDerWaalsContact O-CD 3.26Å; V281-R285 WeakPolarHBondContact O-CD 3.41Å; V281-R285 WeakPolarHBondContact O-CG 3.28Å; V281-R285 PolarHBondContact O-N 3.48Å
282L89.4Confident77.6Confident4 Ų465.2 Ų65.22%0.02134%0.339CS..Hα-helixtrans-72.5-37.3170.4-59.2-178000111.6F252 S278 M279 Q280 R285 L286 A342 L343 Q346F252-L282 HydrophobicContact CZ-CB 4.23Å; S278-L282 PolarHBondContact O-N 2.9Å; M279-L282 WeakPolarHBondContact O-CA 3.41Å; M279-L282 WeakPolarHBondContact O-CB 3.48Å; M279-L282 PolarHBondContact O-N 3.4Å; Q280-L282 VanDerWaalsContact C-N 3.35Å; Q280-L282 PolarHBondContact O-N 3.41Å; L282-R285 WeakPolarHBondContact O-CB 3.38Å; L282-R285 PolarHBondContact O-N 3.34Å; L282-L286 PolarHBondContact O-N 2.83Å; L282-A342 VanDerWaalsContact CD1-C 3.46Å; L282-A342 HydrophobicContact CD1-CB 3.75Å; L282-A342 HydrophobicContact CD2-CB 4.01Å; L282-L343 HydrophobicContact CD1-CB 4.11Å; L282-Q346 HydrophobicContact CD1-CG 4.43Å
283Y86.1Confident75.5Confident5 Ų571.7 Ų71.72%0.0236%0.363CS..Hα-helixtrans-62-52176.3-173-90.6000112.6F252 H256 M279 Q280 R285 L286 L287 E301 E302 M303F252-Y283 HydrophobicContact CE1-CD2 4.2Å; H256-Y283 AromaticContact CE1-CD2 3.7Å; H256-Y283 AromaticContact ND1-CD2 3.86Å; H256-Y283 AromaticContact NE2-CD2 3.9Å; M279-Y283 PolarHBondContact O-N 2.98Å; Q280-Y283 VanDerWaalsContact NE2-CD1 3.34Å; Q280-Y283 WeakPolarHBondContact O-CB 3.41Å; Q280-Y283 PolarHBondContact O-N 2.93Å; Y283-R285 VanDerWaalsContact C-N 3.25Å; Y283-R285 PolarHBondContact O-N 3.23Å; Y283-L286 WeakPolarHBondContact O-CB 3.36Å; Y283-L286 PolarHBondContact O-N 3.27Å; Y283-L286 VanDerWaalsContact O-N 3.09Å; Y283-L287 HydrophobicContact CD1-CD1 3.99Å; Y283-L287 HydrophobicContact CE1-CD1 3.6Å; Y283-L287 PolarHBondContact O-N 2.87Å; Y283-L287 VanDerWaalsContact O-N 3.14Å; Y283-E301 PolarHBondContact OH-O 2.96Å; Y283-E302 PolarHBondContact OH-O 3.18Å; Y283-M303 HydrophobicContact CD2-CG 4.39Å; Y283-M303 HydrophobicContact CD2-SD 3.95Å; Y283-M303 HydrophobicContact CE2-CB 3.71Å; Y283-M303 HydrophobicContact CE2-CG 3.52Å; Y283-M303 HydrophobicContact CE2-SD 3.57Å; Y283-M303 VanDerWaalsContact CE2-SD 3.57Å; Y283-M303 WeakPolarHBondContact OH-CA 3.5Å; Y283-M303 WeakPolarHBondContact OH-CB 3.33Å; Y283-M303 PolarHBondContact OH-N 3.35Å
284E85.8Confident73.1Confident50 Ų5073.9 Ų73.923%0.23438%0.38CS..Hα-helixtrans-63.1-31.9176.3-59.5-61158.900112.1Q280 L287 R288 R289 R293Q280-E284 PolarHBondContact NE2-OE1 3.24Å; Q280-E284 WeakPolarHBondContact O-CG 3.5Å; Q280-E284 PolarHBondContact O-N 2.95Å; E284-L287 PolarHBondContact O-N 3.38Å; E284-R288 PolarHBondContact O-N 2.88Å; E284-R289 PolarHBondContact O-N 3.11Å; E284-R289 WeakPolarHBondContact OE2-CD 3.46Å; E284-R289 IonicContact OE2-NH1 3.2Å; E284-R293 IonicContact OE1-NH1 3.6Å
285R87.8Confident70.9Confident148 Ų14876 Ų7656%0.55839%0.387SS*.Hα-helixtrans-67.5-36.7173.5-76.3169.3-173.8168.35.6112.4V281 L282 Y283 R288 L339V281-R285 WeakPolarHBondContact O-CB 3.33Å; V281-R285 VanDerWaalsContact O-CD 3.26Å; V281-R285 WeakPolarHBondContact O-CD 3.41Å; V281-R285 WeakPolarHBondContact O-CG 3.28Å; V281-R285 PolarHBondContact O-N 3.48Å; L282-R285 WeakPolarHBondContact O-CB 3.38Å; L282-R285 PolarHBondContact O-N 3.34Å; Y283-R285 VanDerWaalsContact C-N 3.25Å; Y283-R285 PolarHBondContact O-N 3.23Å; R285-R288 PolarHBondContact O-N 3.49Å; R285-L339 HydrophobicContact CB-CD2 4.11Å
286L85.6Confident68.3Low2 Ų282.1 Ų82.11%0.0142%0.418CS..Hα-helixtrans-63.8-43.5175.4-176.166.5000110.8L249 F252 L282 Y283 R288 M303 R308 L336 L339L249-L286 HydrophobicContact CD2-CD1 3.85Å; L249-L286 HydrophobicContact CD2-CD2 3.92Å; L249-L286 HydrophobicContact CD2-CG 4.11Å; F252-L286 HydrophobicContact CB-CD2 4.41Å; F252-L286 HydrophobicContact CD1-CD2 3.43Å; F252-L286 VanDerWaalsContact CD1-CD2 3.43Å; F252-L286 HydrophobicContact CD2-CD2 4.22Å; F252-L286 HydrophobicContact CE1-CD2 3.6Å; F252-L286 HydrophobicContact CE2-CD2 4.36Å; F252-L286 HydrophobicContact CG-CD2 3.77Å; F252-L286 HydrophobicContact CZ-CB 4.48Å; F252-L286 HydrophobicContact CZ-CD2 4.07Å; L282-L286 PolarHBondContact O-N 2.83Å; Y283-L286 WeakPolarHBondContact O-CB 3.36Å; Y283-L286 PolarHBondContact O-N 3.27Å; Y283-L286 VanDerWaalsContact O-N 3.09Å; L286-R288 PolarHBondContact O-N 2.91Å; L286-M303 HydrophobicContact CD2-CE 3.8Å; L286-M303 HydrophobicContact CD2-SD 3.69Å; L286-R308 VanDerWaalsContact O-CD 3.27Å; L286-R308 WeakPolarHBondContact O-CD 3.28Å; L286-R308 PolarHBondContact O-NE 3.4Å; L286-L336 HydrophobicContact CD1-CD2 3.44Å; L286-L336 VanDerWaalsContact CD1-CD2 3.44Å; L286-L339 HydrophobicContact CB-CD1 4.12Å; L286-L339 HydrophobicContact CD1-CD1 3.67Å
287L80.3Confident65.8Low32 Ų3286.1 Ų86.117%0.16844%0.441CS..THydrogen-bonded Turntrans-75.50.6177.8-62.8176.4000114.5Y283 E284 R289 M303Y283-L287 HydrophobicContact CD1-CD1 3.99Å; Y283-L287 HydrophobicContact CE1-CD1 3.6Å; Y283-L287 PolarHBondContact O-N 2.87Å; Y283-L287 VanDerWaalsContact O-N 3.14Å; E284-L287 PolarHBondContact O-N 3.38Å; L287-R289 HydrophobicContact CB-CG 4.09Å; L287-R289 PolarHBondContact O-N 2.81Å; L287-M303 HydrophobicContact CD2-CG 4.48Å
288R69.9Low63.6Low81 Ų8190 Ų9031%0.30646%0.459SS..THydrogen-bonded Turntrans46.725.6-177.3-70-168.3-171.3160.4-7.2115.2E284 R285 L286 T290 R308 E311 E315E284-R288 PolarHBondContact O-N 2.88Å; R285-R288 PolarHBondContact O-N 3.49Å; L286-R288 PolarHBondContact O-N 2.91Å; R288-T290 PolarHBondContact O-N 2.77Å; R288-R308 VanDerWaalsContact NE-NH2 3.16Å; R288-E311 IonicContact CZ-OE1 2.98Å; R288-E311 IonicContact NE-OE1 3.59Å; R288-E311 IonicContact NH1-OE1 3.93Å; R288-E311 PolarHBondContact NH1-OE1 2.95Å; R288-E315 IonicContact CZ-OE1 2.81Å; R288-E315 IonicContact CZ-OE2 2.67Å; R288-E315 VanDerWaalsContact CZ-OE2 3.32Å; R288-E315 IonicContact NH1-OE1 2.76Å; R288-E315 PolarHBondContact NH1-OE1 3.36Å; R288-E315 IonicContact NH1-OE2 3.2Å; R288-E315 PolarHBondContact NH1-OE2 3.32Å; R288-E315 IonicContact NH2-OE1 3.47Å; R288-E315 IonicContact NH2-OE2 2.7Å; R288-E315 PolarHBondContact NH2-OE2 2.86Å
289R57.8Low61.4Low116 Ų11691.6 Ų91.644%0.43847%0.469SS..  trans-63.4119.8-174.3-80.1170.9161.4-159.8-8.6111.2E284 L287 E301E284-R289 PolarHBondContact O-N 3.11Å; E284-R289 WeakPolarHBondContact OE2-CD 3.46Å; E284-R289 IonicContact OE2-NH1 3.2Å; L287-R289 HydrophobicContact CB-CG 4.09Å; L287-R289 PolarHBondContact O-N 2.81Å; R289-E301 IonicContact CZ-OE2 3.15Å; R289-E301 IonicContact NH1-OE2 3.18Å; R289-E301 PolarHBondContact NH1-OE2 3.02Å; R289-E301 VanDerWaalsContact NH2-CD 3.28Å; R289-E301 IonicContact NH2-OE1 2.73Å; R289-E301 PolarHBondContact NH2-OE1 2.82Å; R289-E301 IonicContact NH2-OE2 2.71Å; R289-E301 PolarHBondContact NH2-OE2 3.27Å
290T37.5Very low59.7Low143 Ų14395.3 Ų95.388%0.87749%0.489SS*.  trans-94.82.6-172.121.20000114.4R288R288-T290 PolarHBondContact O-N 2.77Å
291Q34.1Very low58.2Low174 Ų17498.3 Ų98.381%0.81350%0.503SS*.SBendtrans-106.2130.2175.7-74.9-175.4-2100111.5
292P37.3Very low57Low120 Ų120101.9 Ų101.978%0.77951%0.514SS*.PPolyproline II helixtrans-68.9136.7166.930.4-33000109.5T294P292-T294 PolarHBondContact O-N 2.87Å; P292-T294 VanDerWaalsContact O-N 3.13Å
293R41.8Very low56.1Low140 Ų140102.1 Ų102.153%0.52852%0.516SS..PPolyproline II helixtrans-55.1116.1179.9-142.3173.5-179.6134.4-3.9109.8E284 Q295 D297 C299E284-R293 IonicContact OE1-NH1 3.6Å; R293-Q295 PolarHBondContact O-N 2.85Å; R293-D297 PolarHBondContact NE-O 2.88Å; R293-D297 PolarHBondContact NH2-O 3.12Å; R293-C299 PolarHBondContact NH2-O 2.87Å
294T36.3Very low55.9Low132 Ų132106.1 Ų106.181%0.8154%0.537SS*.PPolyproline II helixtrans-62.3124.8158.334.40000107.6P292 N296P292-T294 PolarHBondContact O-N 2.87Å; P292-T294 VanDerWaalsContact O-N 3.13Å; T294-N296 PolarHBondContact O-N 3.01Å; T294-N296 VanDerWaalsContact O-N 3.13Å
295Q40.4Very low55.9Low175 Ų175104.7 Ų104.782%0.81853%0.532SS*.THydrogen-bonded Turntrans-59.6112.6-176.9-175.4177.612.600110.5R293R293-Q295 PolarHBondContact O-N 2.85Å
296N35.6Very low56Low141 Ų141101.8 Ų101.875%0.75453%0.525SS*.THydrogen-bonded Turntrans171.5-16.8138.4-84.9-15.9000115.6T294T294-N296 PolarHBondContact O-N 3.01Å; T294-N296 VanDerWaalsContact O-N 3.13Å
297D35.6Very low56.2Low131 Ų131104.1 Ų104.170%0.70154%0.544SS*.  trans-95.2104177.9-79.1-61000112.9R293 C299R293-D297 PolarHBondContact NE-O 2.88Å; R293-D297 PolarHBondContact NH2-O 3.12Å; D297-C299 PolarHBondContact O-N 3.47Å
298T41Very low56.7Low140 Ų140102.8 Ų102.886%0.85954%0.537SS*.  trans-8422.4175-340000112.5L300T298-L300 PolarHBondContact O-N 3.31Å
299C42.6Very low57.9Low84 Ų8499.1 Ų99.157%0.56852%0.524SS*.  trans-65.2132.3172.6-1640000109.8R293 D297 E301R293-C299 PolarHBondContact NH2-O 2.87Å; D297-C299 PolarHBondContact O-N 3.47Å; C299-E301 PolarHBondContact O-N 3.04Å
300L54.3Low59.6Low78 Ų7896.8 Ų96.841%0.40852%0.522SS..  trans-90.880.9175.4-152.2159.2000106.8I260 T298 E302I260-L300 HydrophobicContact CD1-CD1 3.96Å; I260-L300 HydrophobicContact CG2-CD1 4.45Å; T298-L300 PolarHBondContact O-N 3.31Å; L300-E302 PolarHBondContact O-N 2.89Å
301E55.1Low62.2Low97 Ų9793.3 Ų93.345%0.45350%0.496SS..  trans-57.2125.3-178.4-73.1177.5108.300110.4Y283 R289 C299Y283-E301 PolarHBondContact OH-O 2.96Å; R289-E301 IonicContact CZ-OE2 3.15Å; R289-E301 IonicContact NH1-OE2 3.18Å; R289-E301 PolarHBondContact NH1-OE2 3.02Å; R289-E301 VanDerWaalsContact NH2-CD 3.28Å; R289-E301 IonicContact NH2-OE1 2.73Å; R289-E301 PolarHBondContact NH2-OE1 2.82Å; R289-E301 IonicContact NH2-OE2 2.71Å; R289-E301 PolarHBondContact NH2-OE2 3.27Å; C299-E301 PolarHBondContact O-N 3.04Å
302E63.5Low65.1Low146 Ų14685.1 Ų85.168%0.68246%0.458SS*.  trans-64.3154.3-176.1-152.3-158.1130.900112.3K253 Y283 L300 D304K253-E302 WeakPolarHBondContact CE-OE1 3.3Å; K253-E302 IonicContact NZ-OE1 2.71Å; K253-E302 PolarHBondContact NZ-OE1 3.21Å; Y283-E302 PolarHBondContact OH-O 3.18Å; L300-E302 PolarHBondContact O-N 2.89Å; E302-D304 PolarHBondContact O-N 3.34Å
303M69.8Low67.9Low9 Ų980.2 Ų80.24%0.04443%0.426CS..  trans-78.6104-172.8-147.417388.500110.7L249 F252 K253 Y283 L286 L287 V305L249-M303 VanDerWaalsContact O-CE 3.32Å; L249-M303 WeakPolarHBondContact O-CE 3.2Å; F252-M303 HydrophobicContact CD1-CE 4.08Å; F252-M303 HydrophobicContact CD1-SD 3.73Å; F252-M303 HydrophobicContact CE1-SD 4.11Å; K253-M303 HydrophobicContact CB-CE 3.77Å; K253-M303 HydrophobicContact CD-CB 4.16Å; K253-M303 HydrophobicContact CG-CB 4.19Å; K253-M303 HydrophobicContact CG-CE 4.45Å; K253-M303 PolarHBondContact NZ-O 3.5Å; Y283-M303 HydrophobicContact CD2-CG 4.39Å; Y283-M303 HydrophobicContact CD2-SD 3.95Å; Y283-M303 HydrophobicContact CE2-CB 3.71Å; Y283-M303 HydrophobicContact CE2-CG 3.52Å; Y283-M303 HydrophobicContact CE2-SD 3.57Å; Y283-M303 VanDerWaalsContact CE2-SD 3.57Å; Y283-M303 WeakPolarHBondContact OH-CA 3.5Å; Y283-M303 WeakPolarHBondContact OH-CB 3.33Å; Y283-M303 PolarHBondContact OH-N 3.35Å; L286-M303 HydrophobicContact CD2-CE 3.8Å; L286-M303 HydrophobicContact CD2-SD 3.69Å; L287-M303 HydrophobicContact CD2-CG 4.48Å; M303-V305 HydrophobicContact CE-CG2 3.58Å; M303-V305 PolarHBondContact O-N 3.39Å
304D82.8Confident70.4Confident89 Ų8977.1 Ų77.148%0.47642%0.418SS..  trans-72.278168.7-165.1-14.6000110E302 E306 A307 R308E302-D304 PolarHBondContact O-N 3.34Å; D304-E306 PolarHBondContact O-N 3.26Å; D304-E306 PolarHBondContact OD1-N 3.21Å; D304-A307 HydrophobicContact CB-CB 4.21Å; D304-A307 WeakPolarHBondContact OD1-CB 3.38Å; D304-A307 PolarHBondContact OD1-N 3.23Å; D304-A307 VanDerWaalsContact OD2-CB 3.27Å; D304-A307 WeakPolarHBondContact OD2-CB 3.21Å; D304-R308 WeakPolarHBondContact O-CB 3.16Å; D304-R308 PolarHBondContact O-N 3.02Å
305V85.4Confident73.1Confident20 Ų2073.6 Ų73.612%0.12139%0.392CS..Hα-helixtrans-56.7-37.6173168.50000110.4L249 K253 M303 R308 L309L249-V305 HydrophobicContact CB-CG1 3.88Å; L249-V305 HydrophobicContact CB-CG2 4.38Å; L249-V305 HydrophobicContact CD1-CG1 4.35Å; K253-V305 HydrophobicContact CB-CG2 4.32Å; K253-V305 HydrophobicContact CD-CG2 3.85Å; M303-V305 HydrophobicContact CE-CG2 3.58Å; M303-V305 PolarHBondContact O-N 3.39Å; V305-R308 PolarHBondContact O-N 2.97Å; V305-L309 WeakPolarHBondContact O-CB 3.43Å; V305-L309 PolarHBondContact O-N 2.86Å
306E88.7Confident75.7Confident87 Ų8765.3 Ų65.341%0.40735%0.354SS..Hα-helixtrans-70.8-47.1-173.8-17255.3-141.600111.7D304 R308 L309 T310D304-E306 PolarHBondContact O-N 3.26Å; D304-E306 PolarHBondContact OD1-N 3.21Å; E306-R308 VanDerWaalsContact C-N 3.31Å; E306-R308 PolarHBondContact O-N 2.8Å; E306-L309 PolarHBondContact O-N 3.08Å; E306-T310 VanDerWaalsContact O-CB 3.23Å; E306-T310 WeakPolarHBondContact O-CB 3.13Å; E306-T310 PolarHBondContact O-N 2.86Å; E306-T310 PolarHBondContact O-OG1 2.97Å
307A90.1Very high78.4Confident51 Ų5163.7 Ų63.742%0.42134%0.34SS..Hα-helixtrans-62.5-38.5173.500000111.9D304 E311D304-A307 HydrophobicContact CB-CB 4.21Å; D304-A307 WeakPolarHBondContact OD1-CB 3.38Å; D304-A307 PolarHBondContact OD1-N 3.23Å; D304-A307 VanDerWaalsContact OD2-CB 3.27Å; D304-A307 WeakPolarHBondContact OD2-CB 3.21Å; A307-E311 PolarHBondContact O-N 2.89Å
308R91.6Very high81.1Confident5 Ų564.5 Ų64.52%0.01934%0.337CS..Hα-helixtrans-70.4-38.3178.9-177.662.6-157.8159.511112.7L249 L286 R288 D304 V305 E306 E311 L312L249-R308 HydrophobicContact CD1-CB 4.5Å; L249-R308 HydrophobicContact CD1-CG 4.24Å; L249-R308 HydrophobicContact CD2-CG 3.95Å; L286-R308 VanDerWaalsContact O-CD 3.27Å; L286-R308 WeakPolarHBondContact O-CD 3.28Å; L286-R308 PolarHBondContact O-NE 3.4Å; R288-R308 VanDerWaalsContact NE-NH2 3.16Å; D304-R308 WeakPolarHBondContact O-CB 3.16Å; D304-R308 PolarHBondContact O-N 3.02Å; V305-R308 PolarHBondContact O-N 2.97Å; E306-R308 VanDerWaalsContact C-N 3.31Å; E306-R308 PolarHBondContact O-N 2.8Å; R308-E311 IonicContact CZ-OE1 3.13Å; R308-E311 IonicContact CZ-OE2 3.7Å; R308-E311 IonicContact NH1-OE1 2.59Å; R308-E311 PolarHBondContact NH1-OE1 3.11Å; R308-E311 IonicContact NH1-OE2 3.6Å; R308-E311 PolarHBondContact NH1-OE2 2.77Å; R308-E311 IonicContact NH2-OE1 3.91Å; R308-L312 VanDerWaalsContact NH2-CD2 3.35Å; R308-L312 WeakPolarHBondContact O-CG 3.37Å; R308-L312 PolarHBondContact O-N 2.73Å
309L93.9Very high83.4Confident4 Ų459.1 Ų59.12%0.02130%0.304CS..Hα-helixtrans-67.3-44174.2-177.557.6000110.6Y242 C245 A246 L249 V305 E306 E311 L312 C313Y242-L309 HydrophobicContact CD2-CD1 4.1Å; Y242-L309 HydrophobicContact CD2-CD2 3.87Å; Y242-L309 HydrophobicContact CD2-CG 3.94Å; Y242-L309 HydrophobicContact CE2-CD2 3.42Å; Y242-L309 VanDerWaalsContact CE2-CD2 3.42Å; Y242-L309 HydrophobicContact CE2-CG 3.9Å; C245-L309 HydrophobicContact CB-CD1 3.67Å; A246-L309 HydrophobicContact CB-CD1 4.39Å; A246-L309 HydrophobicContact CB-CD2 3.77Å; L249-L309 HydrophobicContact CD1-CB 3.99Å; L249-L309 HydrophobicContact CD1-CD1 4.38Å; V305-L309 WeakPolarHBondContact O-CB 3.43Å; V305-L309 PolarHBondContact O-N 2.86Å; E306-L309 PolarHBondContact O-N 3.08Å; L309-E311 PolarHBondContact O-N 3.14Å; L309-L312 PolarHBondContact O-N 3.46Å; L309-C313 PolarHBondContact O-N 3.07Å; L309-C313 PolarHBondContact O-SG 2.86Å; L309-C313 VanDerWaalsContact O-SG 3.4Å
310T93.9Very high85.4Confident67 Ų6764.1 Ų64.141%0.41132%0.319SS..Hα-helixtrans-57.5-47.7173.5-65.50000111.6E306 L312 C313 E314E306-T310 VanDerWaalsContact O-CB 3.23Å; E306-T310 WeakPolarHBondContact O-CB 3.13Å; E306-T310 PolarHBondContact O-N 2.86Å; E306-T310 PolarHBondContact O-OG1 2.97Å; T310-L312 PolarHBondContact O-N 3.49Å; T310-C313 PolarHBondContact O-N 3.49Å; T310-E314 HydrophobicContact CG2-CG 4.31Å; T310-E314 WeakPolarHBondContact O-CB 3.45Å; T310-E314 WeakPolarHBondContact O-CG 3.34Å; T310-E314 PolarHBondContact O-N 2.86Å
311E93.3Very high87Confident70 Ų7062.8 Ų62.833%0.32731%0.312SS..Hα-helixtrans-55.5-50.1176-173-161.513500111.3R288 A307 R308 L309 C313 E314 E315R288-E311 IonicContact CZ-OE1 2.98Å; R288-E311 IonicContact NE-OE1 3.59Å; R288-E311 IonicContact NH1-OE1 3.93Å; R288-E311 PolarHBondContact NH1-OE1 2.95Å; A307-E311 PolarHBondContact O-N 2.89Å; R308-E311 IonicContact CZ-OE1 3.13Å; R308-E311 IonicContact CZ-OE2 3.7Å; R308-E311 IonicContact NH1-OE1 2.59Å; R308-E311 PolarHBondContact NH1-OE1 3.11Å; R308-E311 IonicContact NH1-OE2 3.6Å; R308-E311 PolarHBondContact NH1-OE2 2.77Å; R308-E311 IonicContact NH2-OE1 3.91Å; L309-E311 PolarHBondContact O-N 3.14Å; E311-C313 PolarHBondContact O-N 3.38Å; E311-E314 CarbonylContact O-C 3.49Å; E311-E314 PolarHBondContact O-N 3.19Å; E311-E315 WeakPolarHBondContact O-CG 3.42Å; E311-E315 PolarHBondContact O-N 3.42Å
312L94.4Very high88.5Confident2 Ų258.2 Ų58.21%0.0129%0.291CS..Hα-helixtrans-61.8-43.3-179.3-74.8169.2000112.3H241 L249 R308 L309 T310 E315 V316 N332 L336H241-L312 PolarHBondContact CE1-O 3.27Å; L249-L312 HydrophobicContact CD1-CD1 4.47Å; R308-L312 VanDerWaalsContact NH2-CD2 3.35Å; R308-L312 WeakPolarHBondContact O-CG 3.37Å; R308-L312 PolarHBondContact O-N 2.73Å; L309-L312 PolarHBondContact O-N 3.46Å; T310-L312 PolarHBondContact O-N 3.49Å; L312-E315 PolarHBondContact O-N 2.86Å; L312-V316 WeakPolarHBondContact O-CG2 3.48Å; L312-V316 PolarHBondContact O-N 3.03Å; L312-V316 VanDerWaalsContact O-N 3.14Å; L312-N332 HydrophobicContact CD2-CB 4.25Å; L312-L336 HydrophobicContact CD1-CD1 4.18Å; L312-L336 HydrophobicContact CD1-CD2 4.47Å
313C95.5Very high89.7Confident17 Ų1753.8 Ų53.812%0.11527%0.272CS..Hα-helixtrans-68.5-36.2177.5-68.90000111.8L309 T310 E311 V316 K317L309-C313 PolarHBondContact O-N 3.07Å; L309-C313 PolarHBondContact O-SG 2.86Å; L309-C313 VanDerWaalsContact O-SG 3.4Å; T310-C313 PolarHBondContact O-N 3.49Å; E311-C313 PolarHBondContact O-N 3.38Å; C313-V316 PolarHBondContact O-N 2.71Å; C313-K317 VanDerWaalsContact O-CG 3.31Å; C313-K317 WeakPolarHBondContact O-CG 3.46Å; C313-K317 PolarHBondContact O-N 2.87Å
314E94.7Very high90.8Very high75 Ų7558.8 Ų58.835%0.3530%0.295SS..Hα-helixtrans-70.8-27.6173.2-71.4-56.1129.300112.8T310 E311 K317 K318T310-E314 HydrophobicContact CG2-CG 4.31Å; T310-E314 WeakPolarHBondContact O-CB 3.45Å; T310-E314 WeakPolarHBondContact O-CG 3.34Å; T310-E314 PolarHBondContact O-N 2.86Å; E311-E314 CarbonylContact O-C 3.49Å; E311-E314 PolarHBondContact O-N 3.19Å; E314-K317 VanDerWaalsContact OE1-CD 3.31Å; E314-K317 WeakPolarHBondContact OE1-CD 3.27Å; E314-K317 WeakPolarHBondContact OE1-CE 3.48Å; E314-K317 IonicContact OE1-NZ 3.19Å; E314-K317 PolarHBondContact OE1-NZ 2.66Å; E314-K318 VanDerWaalsContact C-NZ 3.3Å; E314-K318 WeakPolarHBondContact O-CG 3.11Å; E314-K318 PolarHBondContact O-NZ 3.18Å
315E93.3Very high91.3Very high58 Ų5854.5 Ų54.527%0.27127%0.272SS..Hα-helixtrans-64.5-47.2167.6-72-167.4135.200111.2R288 E311 L312 K317 K318R288-E315 IonicContact CZ-OE1 2.81Å; R288-E315 IonicContact CZ-OE2 2.67Å; R288-E315 VanDerWaalsContact CZ-OE2 3.32Å; R288-E315 IonicContact NH1-OE1 2.76Å; R288-E315 PolarHBondContact NH1-OE1 3.36Å; R288-E315 IonicContact NH1-OE2 3.2Å; R288-E315 PolarHBondContact NH1-OE2 3.32Å; R288-E315 IonicContact NH2-OE1 3.47Å; R288-E315 IonicContact NH2-OE2 2.7Å; R288-E315 PolarHBondContact NH2-OE2 2.86Å; E311-E315 WeakPolarHBondContact O-CG 3.42Å; E311-E315 PolarHBondContact O-N 3.42Å; L312-E315 PolarHBondContact O-N 2.86Å; E315-K317 PolarHBondContact O-N 3.21Å; E315-K318 PolarHBondContact O-N 2.95Å
316V94.6Very high91.7Very high1 Ų153.7 Ų53.71%0.00627%0.268CS..Hα-helixtrans-64.4-38.1-177.1168.10000112.5Y238 L312 C313 K318 V319 L325 L328 I329Y238-V316 HydrophobicContact CD1-CG1 3.78Å; Y238-V316 HydrophobicContact CE1-CG1 3.86Å; L312-V316 WeakPolarHBondContact O-CG2 3.48Å; L312-V316 PolarHBondContact O-N 3.03Å; L312-V316 VanDerWaalsContact O-N 3.14Å; C313-V316 PolarHBondContact O-N 2.71Å; V316-K318 PolarHBondContact O-N 3.15Å; V316-K318 VanDerWaalsContact O-N 3.16Å; V316-V319 PolarHBondContact O-N 2.92Å; V316-L325 HydrophobicContact CG1-CD1 3.56Å; V316-L328 HydrophobicContact CG2-CD2 4.08Å; V316-L328 HydrophobicContact CG2-CG 4.16Å; V316-I329 HydrophobicContact CG1-CD1 3.92Å; V316-I329 HydrophobicContact CG1-CG1 3.87Å; V316-I329 HydrophobicContact CG2-CG1 4Å
317K92.3Very high92.1Very high106 Ų10656 Ų5646%0.46128%0.278SS..THydrogen-bonded Turntrans-65-13.1175.9-71.7170.4-167.5174.20115.1Y238 C313 E314 E315Y238-K317 HydrophobicContact CD2-CG 4.45Å; Y238-K317 HydrophobicContact CE2-CG 4Å; C313-K317 VanDerWaalsContact O-CG 3.31Å; C313-K317 WeakPolarHBondContact O-CG 3.46Å; C313-K317 PolarHBondContact O-N 2.87Å; E314-K317 VanDerWaalsContact OE1-CD 3.31Å; E314-K317 WeakPolarHBondContact OE1-CD 3.27Å; E314-K317 WeakPolarHBondContact OE1-CE 3.48Å; E314-K317 IonicContact OE1-NZ 3.19Å; E314-K317 PolarHBondContact OE1-NZ 2.66Å; E315-K317 PolarHBondContact O-N 3.21Å
318K91.8Very high92.3Very high148 Ų14854.9 Ų54.964%0.64327%0.265SS*.THydrogen-bonded Turntrans-89.9-1.8-177.9-67.6174.1-175.588.50113.9E314 E315 V316E314-K318 VanDerWaalsContact C-NZ 3.3Å; E314-K318 WeakPolarHBondContact O-CG 3.11Å; E314-K318 PolarHBondContact O-NZ 3.18Å; E315-K318 PolarHBondContact O-N 2.95Å; V316-K318 PolarHBondContact O-N 3.15Å; V316-K318 VanDerWaalsContact O-N 3.16Å
319V90.6Very high92.6Very high27 Ų2754.7 Ų54.716%0.16426%0.264CS..  trans-103.7118.9-175-1750000111V316 E324 L325 L328V316-V319 PolarHBondContact O-N 2.92Å; V319-E324 HydrophobicContact CG1-CB 3.62Å; V319-L325 HydrophobicContact CB-CB 4.31Å; V319-L325 HydrophobicContact CB-CD1 4.49Å; V319-L325 HydrophobicContact CG1-CB 3.99Å; V319-L328 HydrophobicContact CG2-CD2 3.58Å
320E84.7Confident92.7Very high190 Ų19056.9 Ų56.989%0.88828%0.276SS*.  trans-87.2-25.2-178.4-61.2-178.5171.900113.4
321N87.4Confident92.8Very high49 Ų4959.1 Ų59.126%0.26228%0.283SS..SBendtrans-87.2124.1-177.6178.62000110.9D323 E324 L325N321-D323 PolarHBondContact O-N 2.98Å; N321-D323 VanDerWaalsContact O-N 3.16Å; N321-D323 PolarHBondContact OD1-N 3.3Å; N321-D323 VanDerWaalsContact OD1-N 3.12Å; N321-E324 HydrophobicContact CB-CB 4.15Å; N321-E324 HydrophobicContact CB-CG 4.18Å; N321-E324 PolarHBondContact ND2-OE1 2.99Å; N321-E324 PolarHBondContact O-N 2.8Å; N321-L325 WeakPolarHBondContact O-CB 3.48Å; N321-L325 PolarHBondContact O-N 3.05Å
322P86.4Confident92.9Very high2 Ų255.8 Ų55.81%0.01327%0.268CS..Hα-helixtrans-55.5-33.2178.715.1-27.2000114.4F212 F227 I229 A326F212-P322 HydrophobicContact CE2-CB 3.82Å; F212-P322 WeakPolarHBondContact CE2-O 3.18Å; F212-P322 HydrophobicContact CZ-CB 3.79Å; F212-P322 WeakPolarHBondContact CZ-O 3.27Å; F227-P322 HydrophobicContact CB-CG 3.58Å; F227-P322 HydrophobicContact CD2-CG 4.26Å; F227-P322 HydrophobicContact CG-CG 4.28Å; I229-P322 HydrophobicContact CD1-CB 3.62Å; I229-P322 HydrophobicContact CD1-CG 4.14Å; I229-P322 HydrophobicContact CG1-CB 3.92Å; I229-P322 HydrophobicContact CG1-CG 4.1Å; P322-A326 WeakPolarHBondContact O-CB 3.45Å; P322-A326 PolarHBondContact O-N 2.91Å
323D88.9Confident93.1Very high53 Ų5355.9 Ų55.928%0.28327%0.268SS..Hα-helixtrans-74-49.4-173.2-63.318.4000109.6K218 N321 L325 A326 E327K218-D323 WeakPolarHBondContact CE-OD1 3.49Å; K218-D323 IonicContact NZ-OD1 3.24Å; K218-D323 PolarHBondContact NZ-OD1 2.98Å; K218-D323 IonicContact NZ-OD2 3.54Å; K218-D323 PolarHBondContact NZ-OD2 3.28Å; N321-D323 PolarHBondContact O-N 2.98Å; N321-D323 VanDerWaalsContact O-N 3.16Å; N321-D323 PolarHBondContact OD1-N 3.3Å; N321-D323 VanDerWaalsContact OD1-N 3.12Å; D323-L325 VanDerWaalsContact C-N 3.3Å; D323-L325 PolarHBondContact O-N 3.45Å; D323-A326 PolarHBondContact O-N 3.37Å; D323-E327 WeakPolarHBondContact O-CB 3.33Å; D323-E327 WeakPolarHBondContact O-CG 3.25Å; D323-E327 PolarHBondContact O-N 3.47Å
324E92.4Very high93.1Very high113 Ų11357.6 Ų57.653%0.52828%0.284SS..Hα-helixtrans-62.3-36.3172.7-67.5164.9-139.900111.7V319 N321 L328V319-E324 HydrophobicContact CG1-CB 3.62Å; N321-E324 HydrophobicContact CB-CB 4.15Å; N321-E324 HydrophobicContact CB-CG 4.18Å; N321-E324 PolarHBondContact ND2-OE1 2.99Å; N321-E324 PolarHBondContact O-N 2.8Å; E324-L328 WeakPolarHBondContact O-CB 3.4Å; E324-L328 PolarHBondContact O-N 3.28Å
325L93.9Very high93.2Very high0 Ų056.8 Ų56.80%028%0.28CS..Hα-helixtrans-65.4-46.7177.7173.657.9000111.3F212 I229 Y238 V316 V319 N321 D323 L328 I329F212-L325 HydrophobicContact CE1-CD2 3.79Å; F212-L325 HydrophobicContact CE1-CG 4.34Å; F212-L325 HydrophobicContact CZ-CB 4.46Å; F212-L325 HydrophobicContact CZ-CD2 3.96Å; F212-L325 HydrophobicContact CZ-CG 4.18Å; I229-L325 HydrophobicContact CD1-CD2 4.25Å; Y238-L325 HydrophobicContact CE1-CD1 4.26Å; V316-L325 HydrophobicContact CG1-CD1 3.56Å; V319-L325 HydrophobicContact CB-CB 4.31Å; V319-L325 HydrophobicContact CB-CD1 4.49Å; V319-L325 HydrophobicContact CG1-CB 3.99Å; N321-L325 WeakPolarHBondContact O-CB 3.48Å; N321-L325 PolarHBondContact O-N 3.05Å; D323-L325 VanDerWaalsContact C-N 3.3Å; D323-L325 PolarHBondContact O-N 3.45Å; L325-L328 PolarHBondContact O-N 3.49Å; L325-I329 HydrophobicContact CD1-CD1 3.89Å; L325-I329 HydrophobicContact CD1-CG1 4.4Å; L325-I329 HydrophobicContact CG-CD1 4.24Å; L325-I329 VanDerWaalsContact O-CG1 3.29Å; L325-I329 WeakPolarHBondContact O-CG1 3.41Å; L325-I329 PolarHBondContact O-N 3.09Å
326A94.1Very high93.4Very high2 Ų254.3 Ų54.32%0.01727%0.269CS..Hα-helixtrans-68.6-38.6177.400000112.1L207 V211 F212 P322 D323 N330L207-A326 HydrophobicContact CD2-CB 4.34Å; L207-A326 HydrophobicContact CG-CB 4.15Å; V211-A326 HydrophobicContact CB-CB 4.32Å; V211-A326 HydrophobicContact CG1-CB 4.27Å; V211-A326 HydrophobicContact CG2-CB 4.3Å; F212-A326 HydrophobicContact CE2-CB 4.02Å; F212-A326 HydrophobicContact CZ-CB 4.36Å; P322-A326 WeakPolarHBondContact O-CB 3.45Å; P322-A326 PolarHBondContact O-N 2.91Å; D323-A326 PolarHBondContact O-N 3.37Å; A326-N330 WeakPolarHBondContact O-CB 3.31Å; A326-N330 PolarHBondContact O-N 3.4Å
327E95.2Very high93.5Very high136 Ų13654.5 Ų54.564%0.63627%0.27SS*.Hα-helixtrans-64.9-42173-74.9-171.5174.500112.4D323 N330 M331D323-E327 WeakPolarHBondContact O-CB 3.33Å; D323-E327 WeakPolarHBondContact O-CG 3.25Å; D323-E327 PolarHBondContact O-N 3.47Å; E327-N330 PolarHBondContact O-N 3.49Å; E327-M331 VanDerWaalsContact O-CB 3.29Å; E327-M331 WeakPolarHBondContact O-CB 3.48Å; E327-M331 PolarHBondContact O-N 2.83Å
328L96.3Very high93.8Very high28 Ų2852.4 Ų52.415%0.14727%0.269CS..Hα-helixtrans-63.6-44.5176.1175.559.8000111.9V316 V319 E324 L325 N330 M331 N332V316-L328 HydrophobicContact CG2-CD2 4.08Å; V316-L328 HydrophobicContact CG2-CG 4.16Å; V319-L328 HydrophobicContact CG2-CD2 3.58Å; E324-L328 WeakPolarHBondContact O-CB 3.4Å; E324-L328 PolarHBondContact O-N 3.28Å; L325-L328 PolarHBondContact O-N 3.49Å; L328-N330 PolarHBondContact O-N 2.87Å; L328-M331 HydrophobicContact CD1-CE 3.54Å; L328-M331 PolarHBondContact O-N 3.4Å; L328-N332 WeakPolarHBondContact O-CB 3.45Å; L328-N332 PolarHBondContact O-N 3.04Å
329I96.7Very high94Very high0 Ų046.1 Ų46.10%024%0.242CC..Hα-helixtrans-59.4-47.8175.4-72.1169.2000110V211 A237 F240 H241 V316 L325 M331 N332 L333V211-I329 HydrophobicContact CG1-CD1 3.66Å; V211-I329 HydrophobicContact CG2-CG2 4.12Å; A237-I329 HydrophobicContact CB-CD1 4.17Å; F240-I329 HydrophobicContact CD1-CG2 4.07Å; F240-I329 HydrophobicContact CE1-CG2 4.07Å; H241-I329 HydrophobicContact CB-CD1 4.08Å; H241-I329 HydrophobicContact CB-CG1 3.96Å; H241-I329 HydrophobicContact CB-CG2 4.1Å; V316-I329 HydrophobicContact CG1-CD1 3.92Å; V316-I329 HydrophobicContact CG1-CG1 3.87Å; V316-I329 HydrophobicContact CG2-CG1 4Å; L325-I329 HydrophobicContact CD1-CD1 3.89Å; L325-I329 HydrophobicContact CD1-CG1 4.4Å; L325-I329 HydrophobicContact CG-CD1 4.24Å; L325-I329 VanDerWaalsContact O-CG1 3.29Å; L325-I329 WeakPolarHBondContact O-CG1 3.41Å; L325-I329 PolarHBondContact O-N 3.09Å; I329-M331 VanDerWaalsContact C-N 3.34Å; I329-M331 PolarHBondContact O-N 2.99Å; I329-N332 PolarHBondContact O-N 2.98Å; I329-L333 HydrophobicContact CG2-CD1 4.21Å; I329-L333 VanDerWaalsContact O-CG 3.32Å; I329-L333 WeakPolarHBondContact O-CG 3.15Å; I329-L333 PolarHBondContact O-N 2.94Å; I329-L333 VanDerWaalsContact O-N 3.08Å
330N95.9Very high94.2Very high50 Ų5044.9 Ų44.927%0.26724%0.235SC..Hα-helixtrans-64.6-35.6176.8-178.883.3000112.8Q177 L207 A326 E327 L328 A334Q177-N330 PolarHBondContact NE2-OD1 3.32Å; L207-N330 HydrophobicContact CD1-CB 3.86Å; L207-N330 HydrophobicContact CD2-CB 3.94Å; A326-N330 WeakPolarHBondContact O-CB 3.31Å; A326-N330 PolarHBondContact O-N 3.4Å; E327-N330 PolarHBondContact O-N 3.49Å; L328-N330 PolarHBondContact O-N 2.87Å; N330-A334 VanDerWaalsContact O-CB 3.27Å; N330-A334 WeakPolarHBondContact O-CB 3.32Å; N330-A334 PolarHBondContact O-N 2.95Å
331M96.2Very high94.8Very high114 Ų11440.3 Ų40.356%0.56221%0.214SC*.Hα-helixtrans-66.7-42.7175.4-179.3173.562.800112E327 L328 I329 A334 Q335E327-M331 VanDerWaalsContact O-CB 3.29Å; E327-M331 WeakPolarHBondContact O-CB 3.48Å; E327-M331 PolarHBondContact O-N 2.83Å; L328-M331 HydrophobicContact CD1-CE 3.54Å; L328-M331 PolarHBondContact O-N 3.4Å; I329-M331 VanDerWaalsContact C-N 3.34Å; I329-M331 PolarHBondContact O-N 2.99Å; M331-A334 PolarHBondContact O-N 3.32Å; M331-Q335 WeakPolarHBondContact O-CB 3.32Å; M331-Q335 PolarHBondContact O-N 2.93Å
332N96.4Very high95.3Very high1 Ų139.7 Ų39.71%0.00522%0.216CC..Hα-helixtrans-61.3-46.7175.9-77.8-16.8000111H241 L312 L328 I329 Q335 L336H241-N332 PolarHBondContact NE2-ND2 2.96Å; L312-N332 HydrophobicContact CD2-CB 4.25Å; L328-N332 WeakPolarHBondContact O-CB 3.45Å; L328-N332 PolarHBondContact O-N 3.04Å; I329-N332 PolarHBondContact O-N 2.98Å; N332-Q335 PolarHBondContact O-N 3.42Å; N332-L336 WeakPolarHBondContact O-CG 3.37Å; N332-L336 PolarHBondContact O-N 2.96Å
333L97.3Very high95.8Very high3 Ų339.6 Ų39.62%0.01622%0.215CC..Hα-helixtrans-63.3-41.7176-63.5173000112.1F240 L244 L248 I329 L336 C337F240-L333 HydrophobicContact CE1-CD1 4.07Å; L244-L333 HydrophobicContact CB-CD1 4.38Å; L244-L333 HydrophobicContact CB-CD2 3.5Å; L244-L333 HydrophobicContact CD1-CD1 3.77Å; L244-L333 HydrophobicContact CD1-CD2 4.39Å; L248-L333 HydrophobicContact CD1-CD2 3.96Å; I329-L333 HydrophobicContact CG2-CD1 4.21Å; I329-L333 VanDerWaalsContact O-CG 3.32Å; I329-L333 WeakPolarHBondContact O-CG 3.15Å; I329-L333 PolarHBondContact O-N 2.94Å; I329-L333 VanDerWaalsContact O-N 3.08Å; L333-L336 PolarHBondContact O-N 3.46Å; L333-C337 WeakPolarHBondContact O-CB 3.42Å; L333-C337 PolarHBondContact O-N 2.91Å; L333-C337 PolarHBondContact O-SG 3.15Å
334A96.9Very high96.2Very high53 Ų5337.3 Ų37.344%0.43820%0.203SC..Hα-helixtrans-63.9-39.7175.200000112.5N330 M331 S338N330-A334 VanDerWaalsContact O-CB 3.27Å; N330-A334 WeakPolarHBondContact O-CB 3.32Å; N330-A334 PolarHBondContact O-N 2.95Å; M331-A334 PolarHBondContact O-N 3.32Å; A334-S338 WeakPolarHBondContact O-CB 3.18Å; A334-S338 PolarHBondContact O-N 3.34Å; A334-S338 PolarHBondContact O-OG 3.34Å
335Q95.9Very high96.3Very high58 Ų5833.7 Ų33.727%0.27120%0.196SC..Hα-helixtrans-60.8-51.6174-172.6-171.2-20.300110.5M331 N332 S338 L339M331-Q335 WeakPolarHBondContact O-CB 3.32Å; M331-Q335 PolarHBondContact O-N 2.93Å; N332-Q335 PolarHBondContact O-N 3.42Å; Q335-S338 PolarHBondContact O-N 3.37Å; Q335-S338 VanDerWaalsContact O-N 3.17Å; Q335-S338 PolarHBondContact O-OG 3.33Å; Q335-L339 HydrophobicContact CG-CD1 4.3Å; Q335-L339 PolarHBondContact O-N 2.98Å; Q335-L339 VanDerWaalsContact O-N 3.08Å
336L96.9Very high96.4Very high7 Ų735.5 Ų35.54%0.03720%0.204CC..Hα-helixtrans-61-47.2-179.8-68.4178.3000112C245 L248 L249 L286 L312 N332 L333 S338 L339 L340C245-L336 HydrophobicContact CB-CD1 3.89Å; C245-L336 VanDerWaalsContact SG-CD1 3.55Å; L248-L336 HydrophobicContact CB-CB 4.1Å; L248-L336 HydrophobicContact CB-CD1 4.16Å; L248-L336 HydrophobicContact CD1-CB 3.82Å; L248-L336 HydrophobicContact CD1-CD1 4.27Å; L249-L336 HydrophobicContact CD2-CD2 3.84Å; L249-L336 HydrophobicContact CG-CD1 4.5Å; L249-L336 HydrophobicContact CG-CD2 4.33Å; L286-L336 HydrophobicContact CD1-CD2 3.44Å; L286-L336 VanDerWaalsContact CD1-CD2 3.44Å; L312-L336 HydrophobicContact CD1-CD1 4.18Å; L312-L336 HydrophobicContact CD1-CD2 4.47Å; N332-L336 WeakPolarHBondContact O-CG 3.37Å; N332-L336 PolarHBondContact O-N 2.96Å; L333-L336 PolarHBondContact O-N 3.46Å; L336-S338 VanDerWaalsContact C-N 3.29Å; L336-S338 PolarHBondContact O-N 3.02Å; L336-L339 PolarHBondContact O-N 3Å; L336-L340 WeakPolarHBondContact O-CB 2.96Å; L336-L340 PolarHBondContact O-N 3.5Å
337C97.6Very high96.4Very high4 Ų435.4 Ų35.43%0.02720%0.203CC..Hα-helixtrans-58.7-39.5174.4-65.60000111.8A174 L175 L333 L339 L340 M341A174-C337 HydrophobicContact CB-CB 4.4Å; L175-C337 PolarHBondContact N-SG 3.4Å; L333-C337 WeakPolarHBondContact O-CB 3.42Å; L333-C337 PolarHBondContact O-N 2.91Å; L333-C337 PolarHBondContact O-SG 3.15Å; C337-L339 VanDerWaalsContact C-N 3.35Å; C337-L339 PolarHBondContact O-N 3.41Å; C337-L340 PolarHBondContact O-N 2.92Å; C337-M341 HydrophobicContact CB-CE 4.23Å; C337-M341 WeakPolarHBondContact O-CB 3.14Å; C337-M341 WeakPolarHBondContact O-CE 3.17Å; C337-M341 WeakPolarHBondContact O-CG 3.2Å; C337-M341 PolarHBondContact O-N 2.74Å
338S97.4Very high96.4Very high63 Ų6329.4 Ų29.444%0.44118%0.175SC..Hα-helixtrans-66.4-34.4178.977.40000113.2A334 Q335 L336 A342A334-S338 WeakPolarHBondContact O-CB 3.18Å; A334-S338 PolarHBondContact O-N 3.34Å; A334-S338 PolarHBondContact O-OG 3.34Å; Q335-S338 PolarHBondContact O-N 3.37Å; Q335-S338 VanDerWaalsContact O-N 3.17Å; Q335-S338 PolarHBondContact O-OG 3.33Å; L336-S338 VanDerWaalsContact C-N 3.29Å; L336-S338 PolarHBondContact O-N 3.02Å; S338-A342 WeakPolarHBondContact O-CB 3.22Å; S338-A342 PolarHBondContact O-N 3.11Å; S338-A342 VanDerWaalsContact O-N 3.14Å
339L96.1Very high96.3Very high16 Ų1635.1 Ų35.18%0.08420%0.201CC..Hα-helixtrans-74.8-40.1175.7-69.6169000111.3F252 R285 L286 Q335 L336 C337 A342 L343F252-L339 HydrophobicContact CD2-CB 4.49Å; F252-L339 HydrophobicContact CE2-CB 4.03Å; R285-L339 HydrophobicContact CB-CD2 4.11Å; L286-L339 HydrophobicContact CB-CD1 4.12Å; L286-L339 HydrophobicContact CD1-CD1 3.67Å; Q335-L339 HydrophobicContact CG-CD1 4.3Å; Q335-L339 PolarHBondContact O-N 2.98Å; Q335-L339 VanDerWaalsContact O-N 3.08Å; L336-L339 PolarHBondContact O-N 3Å; C337-L339 VanDerWaalsContact C-N 3.35Å; C337-L339 PolarHBondContact O-N 3.41Å; L339-A342 PolarHBondContact O-N 3.35Å; L339-L343 WeakPolarHBondContact O-CB 3.44Å; L339-L343 PolarHBondContact O-N 3.16Å
340L96.6Very high96Very high1 Ų135.3 Ų35.31%0.00520%0.203CC..Hα-helixtrans-66.1-43.9176.5-174.556.5000112.2L172 L248 A251 F252 L336 C337 A342 L343 W344L172-L340 VanDerWaalsContact O-CD2 3.3Å; L172-L340 WeakPolarHBondContact O-CD2 3.33Å; L172-L340 WeakPolarHBondContact O-CG 3.46Å; L248-L340 HydrophobicContact CD2-CD2 3.64Å; A251-L340 HydrophobicContact CB-CD1 4.38Å; A251-L340 HydrophobicContact CB-CD2 4.02Å; F252-L340 HydrophobicContact CB-CD1 4.12Å; F252-L340 HydrophobicContact CD2-CB 4.45Å; F252-L340 HydrophobicContact CD2-CD1 4.32Å; L336-L340 WeakPolarHBondContact O-CB 2.96Å; L336-L340 PolarHBondContact O-N 3.5Å; C337-L340 PolarHBondContact O-N 2.92Å; L340-A342 VanDerWaalsContact C-N 3.31Å; L340-A342 PolarHBondContact O-N 3.15Å; L340-L343 PolarHBondContact O-N 2.95Å; L340-W344 WeakPolarHBondContact O-CB 3.48Å; L340-W344 PolarHBondContact O-N 2.81Å
341M96.8Very high95.9Very high94 Ų9433 Ų3346%0.46319%0.19SC..Hα-helixtrans-61.7-36.9171.3-75.8-174.7-73.700112.7V173 C337 G345V173-M341 HydrophobicContact CB-CG 4.1Å; V173-M341 WeakPolarHBondContact O-CG 3.37Å; C337-M341 HydrophobicContact CB-CE 4.23Å; C337-M341 WeakPolarHBondContact O-CB 3.14Å; C337-M341 WeakPolarHBondContact O-CE 3.17Å; C337-M341 WeakPolarHBondContact O-CG 3.2Å; C337-M341 PolarHBondContact O-N 2.74Å; M341-G345 PolarHBondContact O-N 3.24Å
342A96.8Very high95.8Very high35 Ų3528.4 Ų28.429%0.28917%0.169SC..Hα-helixtrans-69-40176.200000112L282 S338 L339 L340 G345 Q346L282-A342 VanDerWaalsContact CD1-C 3.46Å; L282-A342 HydrophobicContact CD1-CB 3.75Å; L282-A342 HydrophobicContact CD2-CB 4.01Å; S338-A342 WeakPolarHBondContact O-CB 3.22Å; S338-A342 PolarHBondContact O-N 3.11Å; S338-A342 VanDerWaalsContact O-N 3.14Å; L339-A342 PolarHBondContact O-N 3.35Å; L340-A342 VanDerWaalsContact C-N 3.31Å; L340-A342 PolarHBondContact O-N 3.15Å; A342-G345 PolarHBondContact O-N 2.93Å; A342-Q346 WeakPolarHBondContact O-CG 3.44Å; A342-Q346 PolarHBondContact O-N 3.17Å
343L96.6Very high95.6Very high0 Ų030.9 Ų30.90%018%0.182CC..Hα-helixtrans-64-46.6175.5-178.966.4000110.6F252 L255 H256 M279 L282 L339 L340 G345 Q346 F347F252-L343 HydrophobicContact CD1-CD2 4.01Å; F252-L343 HydrophobicContact CD2-CB 4.32Å; F252-L343 HydrophobicContact CD2-CD2 3.73Å; F252-L343 HydrophobicContact CE1-CD2 4.04Å; F252-L343 HydrophobicContact CE2-CB 3.89Å; F252-L343 HydrophobicContact CE2-CD2 3.74Å; F252-L343 HydrophobicContact CE2-CG 4.34Å; F252-L343 HydrophobicContact CG-CD2 3.87Å; F252-L343 HydrophobicContact CZ-CB 4.44Å; F252-L343 HydrophobicContact CZ-CD2 3.91Å; L255-L343 HydrophobicContact CB-CD2 4.07Å; L255-L343 HydrophobicContact CD2-CB 4.41Å; L255-L343 HydrophobicContact CD2-CD2 3.91Å; L255-L343 HydrophobicContact CD2-CG 3.83Å; L255-L343 HydrophobicContact CG-CD2 4.05Å; L255-L343 HydrophobicContact CG-CG 4.18Å; H256-L343 HydrophobicContact CB-CD2 4.12Å; M279-L343 HydrophobicContact CB-CD1 3.94Å; M279-L343 HydrophobicContact CG-CD1 3.71Å; M279-L343 HydrophobicContact SD-CD1 3.62Å; L282-L343 HydrophobicContact CD1-CB 4.11Å; L339-L343 WeakPolarHBondContact O-CB 3.44Å; L339-L343 PolarHBondContact O-N 3.16Å; L340-L343 PolarHBondContact O-N 2.95Å; L343-G345 PolarHBondContact O-N 2.93Å; L343-Q346 PolarHBondContact O-N 3.12Å; L343-F347 VanDerWaalsContact O-CB 3.26Å; L343-F347 WeakPolarHBondContact O-CB 3.3Å; L343-F347 PolarHBondContact O-N 3.24Å
344W97.5Very high95.3Very high6 Ų631.8 Ų31.82%0.02319%0.186CC..Hα-helixtrans-58.8-43174.7179.2-112.6000113.1E9 H169 S171 V173 L255 L340 F347 L348E9-W344 HydrophobicContact CB-CZ2 4.43Å; E9-W344 VanDerWaalsContact CD-NE1 3.3Å; E9-W344 HydrophobicContact CG-CZ2 4.29Å; E9-W344 PolarHBondContact OE1-NE1 3.03Å; E9-W344 VanDerWaalsContact OE1-NE1 3.15Å; H169-W344 HydrophobicContact CB-CH2 3.97Å; S171-W344 VanDerWaalsContact CB-CE3 3.49Å; V173-W344 HydrophobicContact CG1-CB 4.07Å; V173-W344 HydrophobicContact CG1-CD2 4.23Å; V173-W344 HydrophobicContact CG1-CG 3.67Å; L255-W344 HydrophobicContact CD1-CE3 4.07Å; L255-W344 HydrophobicContact CD1-CZ3 4.23Å; L255-W344 HydrophobicContact CD2-CB 4.17Å; L255-W344 HydrophobicContact CD2-CE3 3.96Å; L340-W344 WeakPolarHBondContact O-CB 3.48Å; L340-W344 PolarHBondContact O-N 2.81Å; W344-F347 AromaticContact CE3-CD1 3.82Å; W344-F347 HydrophobicContact CE3-CD1 3.82Å; W344-F347 HydrophobicContact CE3-CE1 4.41Å; W344-F347 HydrophobicContact CH2-CD1 4.46Å; W344-F347 HydrophobicContact CH2-CE1 4.48Å; W344-F347 AromaticContact CZ3-CD1 3.6Å; W344-F347 HydrophobicContact CZ3-CD1 3.6Å; W344-F347 AromaticContact CZ3-CE1 3.76Å; W344-F347 HydrophobicContact CZ3-CE1 3.76Å; W344-F347 WeakPolarHBondContact O-CB 3.47Å; W344-F347 PolarHBondContact O-N 2.81Å; W344-L348 HydrophobicContact CD2-CD1 4.43Å; W344-L348 HydrophobicContact CD2-CG 4.28Å; W344-L348 HydrophobicContact CH2-CD2 3.82Å; W344-L348 HydrophobicContact CH2-CG 4.26Å; W344-L348 HydrophobicContact CZ2-CD1 3.71Å; W344-L348 HydrophobicContact CZ2-CD2 3.8Å; W344-L348 HydrophobicContact CZ2-CG 3.89Å; W344-L348 HydrophobicContact CZ3-CD2 4.35Å; W344-L348 PolarHBondContact O-N 3.03Å
345G95.9Very high95.1Very high37 Ų3733.1 Ų33.138%0.38118%0.183SC..Hα-helixtrans-61.4-47.2175.600000112.8M341 A342 L343 F347 E349M341-G345 PolarHBondContact O-N 3.24Å; A342-G345 PolarHBondContact O-N 2.93Å; L343-G345 PolarHBondContact O-N 2.93Å; G345-F347 VanDerWaalsContact C-N 3.32Å; G345-F347 PolarHBondContact O-N 3.08Å; G345-E349 WeakPolarHBondContact O-CB 3.4Å; G345-E349 PolarHBondContact O-N 3.13Å
346Q94.4Very high94.9Very high38 Ų3834.4 Ų34.418%0.17819%0.192CC..Hα-helixtrans-66-34.7176-70.6-176.5-2.700112.6S278 M279 L282 A342 L343 A350S278-Q346 VanDerWaalsContact C-OE1 3.28Å; S278-Q346 PolarHBondContact O-OE1 2.87Å; S278-Q346 PolarHBondContact OG-NE2 2.89Å; M279-Q346 HydrophobicContact CE-CB 4.17Å; M279-Q346 HydrophobicContact CG-CB 4.23Å; L282-Q346 HydrophobicContact CD1-CG 4.43Å; A342-Q346 WeakPolarHBondContact O-CG 3.44Å; A342-Q346 PolarHBondContact O-N 3.17Å; L343-Q346 PolarHBondContact O-N 3.12Å; Q346-A350 WeakPolarHBondContact O-CB 3.35Å; Q346-A350 PolarHBondContact O-N 3.46Å
347F95.6Very high94.7Very high0 Ų034.2 Ų34.20%019%0.191CC..Hα-helixtrans-62.6-55.7176.5175.6-100.4000110.6H149 H169 L255 Y258 F259 M279 L343 W344 G345 E349 A350 I351H149-F347 AromaticContact CE1-CE1 3.74Å; H149-F347 AromaticContact CE1-CZ 3.82Å; H149-F347 AromaticContact ND1-CE1 3.99Å; H149-F347 AromaticContact ND1-CZ 3.95Å; H149-F347 AromaticContact NE2-CZ 3.96Å; H169-F347 HydrophobicContact CB-CE1 4.2Å; L255-F347 HydrophobicContact CD1-CB 4.36Å; L255-F347 HydrophobicContact CD1-CD1 3.83Å; L255-F347 HydrophobicContact CD1-CD2 3.89Å; L255-F347 HydrophobicContact CD1-CE1 4Å; L255-F347 HydrophobicContact CD1-CE2 4.07Å; L255-F347 HydrophobicContact CD1-CG 3.77Å; L255-F347 HydrophobicContact CD1-CZ 4.11Å; Y258-F347 AromaticContact CD1-CE2 3.76Å; Y258-F347 HydrophobicContact CD1-CE2 3.76Å; Y258-F347 AromaticContact CD1-CZ 3.89Å; Y258-F347 HydrophobicContact CD1-CZ 3.89Å; Y258-F347 AromaticContact CE1-CE2 3.9Å; Y258-F347 HydrophobicContact CE1-CE2 3.9Å; Y258-F347 AromaticContact CE1-CZ 3.76Å; Y258-F347 HydrophobicContact CE1-CZ 3.76Å; F259-F347 HydrophobicContact CB-CD2 4.03Å; F259-F347 HydrophobicContact CB-CE2 4.22Å; F259-F347 AromaticContact CD2-CD2 3.78Å; F259-F347 HydrophobicContact CD2-CD2 3.78Å; F259-F347 HydrophobicContact CD2-CE2 4.15Å; F259-F347 HydrophobicContact CG-CD2 4.28Å; M279-F347 HydrophobicContact CE-CB 4.06Å; L343-F347 VanDerWaalsContact O-CB 3.26Å; L343-F347 WeakPolarHBondContact O-CB 3.3Å; L343-F347 PolarHBondContact O-N 3.24Å; W344-F347 AromaticContact CE3-CD1 3.82Å; W344-F347 HydrophobicContact CE3-CD1 3.82Å; W344-F347 HydrophobicContact CE3-CE1 4.41Å; W344-F347 HydrophobicContact CH2-CD1 4.46Å; W344-F347 HydrophobicContact CH2-CE1 4.48Å; W344-F347 AromaticContact CZ3-CD1 3.6Å; W344-F347 HydrophobicContact CZ3-CD1 3.6Å; W344-F347 AromaticContact CZ3-CE1 3.76Å; W344-F347 HydrophobicContact CZ3-CE1 3.76Å; W344-F347 WeakPolarHBondContact O-CB 3.47Å; W344-F347 PolarHBondContact O-N 2.81Å; G345-F347 VanDerWaalsContact C-N 3.32Å; G345-F347 PolarHBondContact O-N 3.08Å; F347-E349 VanDerWaalsContact C-N 3.34Å; F347-E349 PolarHBondContact O-N 2.83Å; F347-A350 WeakPolarHBondContact O-CB 3.34Å; F347-A350 PolarHBondContact O-N 3.34Å; F347-A350 VanDerWaalsContact O-N 3.09Å; F347-I351 HydrophobicContact CD1-CD1 4.09Å; F347-I351 HydrophobicContact CD1-CG1 3.85Å; F347-I351 HydrophobicContact CD2-CG1 4.23Å; F347-I351 HydrophobicContact CD2-CG2 4.23Å; F347-I351 HydrophobicContact CE1-CD1 3.48Å; F347-I351 VanDerWaalsContact CE1-CD1 3.48Å; F347-I351 HydrophobicContact CE1-CG1 3.67Å; F347-I351 HydrophobicContact CE2-CD1 4.43Å; F347-I351 HydrophobicContact CE2-CG1 4.06Å; F347-I351 HydrophobicContact CE2-CG2 4.06Å; F347-I351 HydrophobicContact CG-CG1 4.14Å; F347-I351 HydrophobicContact CZ-CD1 3.69Å; F347-I351 HydrophobicContact CZ-CG1 3.8Å; F347-I351 WeakPolarHBondContact O-CG1 3.5Å; F347-I351 PolarHBondContact O-N 3.28Å
348L95.1Very high94.6Very high10 Ų1035.2 Ų35.25%0.05219%0.194CC..Hα-helixtrans-59-43.3175.7-68-174.8000111.9I88 H169 W344 A350 I351 T352I88-L348 HydrophobicContact CD1-CD1 4.29Å; H169-L348 HydrophobicContact CB-CD2 4.38Å; W344-L348 HydrophobicContact CD2-CD1 4.43Å; W344-L348 HydrophobicContact CD2-CG 4.28Å; W344-L348 HydrophobicContact CH2-CD2 3.82Å; W344-L348 HydrophobicContact CH2-CG 4.26Å; W344-L348 HydrophobicContact CZ2-CD1 3.71Å; W344-L348 HydrophobicContact CZ2-CD2 3.8Å; W344-L348 HydrophobicContact CZ2-CG 3.89Å; W344-L348 HydrophobicContact CZ3-CD2 4.35Å; W344-L348 PolarHBondContact O-N 3.03Å; L348-A350 PolarHBondContact O-N 2.94Å; L348-I351 PolarHBondContact O-N 3.09Å; L348-T352 WeakPolarHBondContact O-CB 3.43Å; L348-T352 PolarHBondContact O-N 2.88Å; L348-T352 PolarHBondContact O-OG1 2.94Å
349E92.8Very high94.4Very high148 Ų14836.5 Ų36.569%0.69220%0.199SC*.Hα-helixtrans-55.8-39.2175.8-174.9175.4-167.700112K271 G345 F347K271-E349 WeakPolarHBondContact CE-O 3.39Å; K271-E349 PolarHBondContact NZ-O 3.18Å; G345-E349 WeakPolarHBondContact O-CB 3.4Å; G345-E349 PolarHBondContact O-N 3.13Å; F347-E349 VanDerWaalsContact C-N 3.34Å; F347-E349 PolarHBondContact O-N 2.83Å
350A92.3Very high94.4Very high3 Ų338 Ų383%0.02521%0.207CC..Hα-helixtrans-75.7-47.5178.300000113.8F259 K271 L272 A275 Q346 F347 L348F259-A350 HydrophobicContact CE2-CB 3.84Å; F259-A350 HydrophobicContact CZ-CB 4.31Å; K271-A350 VanDerWaalsContact CE-O 3.32Å; K271-A350 WeakPolarHBondContact CE-O 3.34Å; K271-A350 PolarHBondContact NZ-O 3.13Å; L272-A350 HydrophobicContact CD2-CB 4.29Å; A275-A350 HydrophobicContact CB-CB 3.52Å; Q346-A350 WeakPolarHBondContact O-CB 3.35Å; Q346-A350 PolarHBondContact O-N 3.46Å; F347-A350 WeakPolarHBondContact O-CB 3.34Å; F347-A350 PolarHBondContact O-N 3.34Å; F347-A350 VanDerWaalsContact O-N 3.09Å; L348-A350 PolarHBondContact O-N 2.94Å
351I92.7Very high94.4Very high1 Ų138 Ų381%0.00521%0.207CC..Hα-helixtrans-101.9-19-164.767.2108.8000115.5H169 F259 L272 F347 L348 L353 H354 L357H169-I351 HydrophobicContact CB-CD1 4.31Å; H169-I351 WeakPolarHBondContact CD2-CD1 3.46Å; H169-I351 VanDerWaalsContact CE1-CD1 3.48Å; H169-I351 WeakPolarHBondContact CE1-CD1 3.37Å; H169-I351 VanDerWaalsContact CG-CD1 3.46Å; H169-I351 WeakPolarHBondContact NE2-CD1 3.43Å; F259-I351 HydrophobicContact CD2-CG2 3.99Å; F259-I351 HydrophobicContact CE2-CG2 3.94Å; L272-I351 HydrophobicContact CD2-CG2 4.48Å; F347-I351 HydrophobicContact CD1-CD1 4.09Å; F347-I351 HydrophobicContact CD1-CG1 3.85Å; F347-I351 HydrophobicContact CD2-CG1 4.23Å; F347-I351 HydrophobicContact CD2-CG2 4.23Å; F347-I351 HydrophobicContact CE1-CD1 3.48Å; F347-I351 VanDerWaalsContact CE1-CD1 3.48Å; F347-I351 HydrophobicContact CE1-CG1 3.67Å; F347-I351 HydrophobicContact CE2-CD1 4.43Å; F347-I351 HydrophobicContact CE2-CG1 4.06Å; F347-I351 HydrophobicContact CE2-CG2 4.06Å; F347-I351 HydrophobicContact CG-CG1 4.14Å; F347-I351 HydrophobicContact CZ-CD1 3.69Å; F347-I351 HydrophobicContact CZ-CG1 3.8Å; F347-I351 WeakPolarHBondContact O-CG1 3.5Å; F347-I351 PolarHBondContact O-N 3.28Å; L348-I351 PolarHBondContact O-N 3.09Å; I351-L353 PolarHBondContact O-N 3.02Å; I351-H354 WeakPolarHBondContact O-CB 3.44Å; I351-H354 PolarHBondContact O-N 2.94Å; I351-H354 VanDerWaalsContact O-N 3.08Å; I351-L357 HydrophobicContact CB-CD2 3.83Å; I351-L357 HydrophobicContact CD1-CD2 4.26Å; I351-L357 HydrophobicContact CG2-CD2 4.25Å
352T93.3Very high94.3Very high19 Ų1934.9 Ų34.912%0.11720%0.196CC..THydrogen-bonded Turntrans-63.4134.4-177.3-85.30000111.9E13 L49 V86 L348 H354E13-T352 WeakPolarHBondContact OE1-CA 3.32Å; E13-T352 WeakPolarHBondContact OE1-CB 3.47Å; E13-T352 VanDerWaalsContact OE1-CG2 3.3Å; E13-T352 WeakPolarHBondContact OE1-CG2 3.32Å; E13-T352 PolarHBondContact OE1-OG1 3.2Å; L49-T352 HydrophobicContact CD2-CG2 4.36Å; V86-T352 HydrophobicContact CB-CG2 4.44Å; V86-T352 HydrophobicContact CG1-CG2 4.06Å; V86-T352 HydrophobicContact CG2-CG2 3.66Å; L348-T352 WeakPolarHBondContact O-CB 3.43Å; L348-T352 PolarHBondContact O-N 2.88Å; L348-T352 PolarHBondContact O-OG1 2.94Å; T352-H354 PolarHBondContact O-N 3.04Å
353L92.8Very high94.3Very high52 Ų5239.7 Ų39.727%0.27221%0.213SC..THydrogen-bonded Turntrans5524.3-172.8-56.9174.3000114.3E13 N15 N84 V86 I351 E355E13-L353 HydrophobicContact CB-CD2 4.32Å; E13-L353 WeakPolarHBondContact OE2-CA 3.22Å; E13-L353 PolarHBondContact OE2-N 2.93Å; N15-L353 WeakPolarHBondContact ND2-CD2 3.38Å; N84-L353 HydrophobicContact CB-CD1 3.88Å; N84-L353 HydrophobicContact CB-CD2 4.18Å; V86-L353 HydrophobicContact CG2-CD1 4.01Å; V86-L353 HydrophobicContact CG2-CD2 3.91Å; V86-L353 HydrophobicContact CG2-CG 3.83Å; I351-L353 PolarHBondContact O-N 3.02Å; L353-E355 PolarHBondContact O-N 3.31Å
354H92.3Very high94.2Very high22 Ų2243.3 Ų43.310%0.10223%0.23CC..  trans-76.5115.9177.8-161.4-51.1000111.2I351 T352 D356 L357 R358I351-H354 WeakPolarHBondContact O-CB 3.44Å; I351-H354 PolarHBondContact O-N 2.94Å; I351-H354 VanDerWaalsContact O-N 3.08Å; T352-H354 PolarHBondContact O-N 3.04Å; H354-D356 IonicContact CE1-OD2 2.62Å; H354-D356 PolarHBondContact CE1-OD2 2.99Å; H354-D356 IonicContact ND1-OD2 2.72Å; H354-L357 HydrophobicContact CB-CB 4.14Å; H354-L357 PolarHBondContact O-N 3.17Å; H354-R358 PolarHBondContact O-N 3.48Å; H354-R358 VanDerWaalsContact O-N 3.11Å
355E91.1Very high94.1Very high82 Ų8243.8 Ų43.838%0.38323%0.232SC..Hα-helixtrans-64.8-47-171.8-76.3-65.5168.300113.6L353 L357 R358 V359L353-E355 PolarHBondContact O-N 3.31Å; E355-L357 VanDerWaalsContact C-N 3.33Å; E355-L357 PolarHBondContact O-N 2.89Å; E355-R358 WeakPolarHBondContact O-CB 3.43Å; E355-R358 PolarHBondContact O-N 2.81Å; E355-R358 VanDerWaalsContact O-N 3.09Å; E355-R358 IonicContact OE1-CZ 3.52Å; E355-R358 IonicContact OE1-NE 2.68Å; E355-R358 IonicContact OE1-NH2 2.67Å; E355-R358 PolarHBondContact OE1-NH2 2.82Å; E355-R358 IonicContact OE2-CZ 3.96Å; E355-R358 IonicContact OE2-NE 2.72Å; E355-R358 PolarHBondContact OE2-NE 3.07Å; E355-R358 IonicContact OE2-NH2 3.88Å; E355-R358 PolarHBondContact OE2-NH2 2.91Å; E355-V359 PolarHBondContact O-N 3.43Å
356D92.6Very high94Very high85 Ų8547.7 Ų47.746%0.45524%0.24SC..Hα-helixtrans-63.5-38.2-179.1-48.2-80.5000112.7I266 H354 R358 V359 L360I266-D356 HydrophobicContact CG2-CB 3.89Å; H354-D356 IonicContact CE1-OD2 2.62Å; H354-D356 PolarHBondContact CE1-OD2 2.99Å; H354-D356 IonicContact ND1-OD2 2.72Å; D356-R358 VanDerWaalsContact C-N 3.34Å; D356-R358 PolarHBondContact O-N 3.11Å; D356-V359 PolarHBondContact O-N 3.43Å; D356-L360 PolarHBondContact O-N 2.72Å
357L93.4Very high94Very high3 Ų348.3 Ų48.32%0.01625%0.247CC..Hα-helixtrans-62.1-42.2173-179.957.6000111.3V262 I266 I351 H354 E355 V359 L360 L361V262-L357 HydrophobicContact CG1-CD1 3.99Å; V262-L357 HydrophobicContact CG1-CD2 4.47Å; V262-L357 HydrophobicContact CG2-CD1 3.92Å; I266-L357 HydrophobicContact CD1-CB 3.62Å; I266-L357 HydrophobicContact CD1-CD1 4.17Å; I266-L357 HydrophobicContact CD1-CG 4.44Å; I351-L357 HydrophobicContact CB-CD2 3.83Å; I351-L357 HydrophobicContact CD1-CD2 4.26Å; I351-L357 HydrophobicContact CG2-CD2 4.25Å; H354-L357 HydrophobicContact CB-CB 4.14Å; H354-L357 PolarHBondContact O-N 3.17Å; E355-L357 VanDerWaalsContact C-N 3.33Å; E355-L357 PolarHBondContact O-N 2.89Å; L357-V359 VanDerWaalsContact C-N 3.32Å; L357-V359 PolarHBondContact O-N 3.33Å; L357-L360 PolarHBondContact O-N 3.2Å; L357-L361 HydrophobicContact CD1-CD1 3.96Å; L357-L361 HydrophobicContact CD1-CG 3.96Å; L357-L361 HydrophobicContact CG-CD1 3.94Å; L357-L361 HydrophobicContact CG-CG 4.35Å; L357-L361 WeakPolarHBondContact O-CB 2.97Å; L357-L361 WeakPolarHBondContact O-CG 3.27Å; L357-L361 PolarHBondContact O-N 3Å
358R94.4Very high93.9Very high24 Ų2450.6 Ų50.69%0.09126%0.259CS..Hα-helixtrans-62.1-39.2176.8-176.5171.369.3134.1-8.6111.8N15 S165 H354 E355 D356 A362N15-R358 VanDerWaalsContact OD1-CD 3.3Å; N15-R358 WeakPolarHBondContact OD1-CD 3.3Å; S165-R358 PolarHBondContact OG-NH1 3.09Å; H354-R358 PolarHBondContact O-N 3.48Å; H354-R358 VanDerWaalsContact O-N 3.11Å; E355-R358 WeakPolarHBondContact O-CB 3.43Å; E355-R358 PolarHBondContact O-N 2.81Å; E355-R358 VanDerWaalsContact O-N 3.09Å; E355-R358 IonicContact OE1-CZ 3.52Å; E355-R358 IonicContact OE1-NE 2.68Å; E355-R358 IonicContact OE1-NH2 2.67Å; E355-R358 PolarHBondContact OE1-NH2 2.82Å; E355-R358 IonicContact OE2-CZ 3.96Å; E355-R358 IonicContact OE2-NE 2.72Å; E355-R358 PolarHBondContact OE2-NE 3.07Å; E355-R358 IonicContact OE2-NH2 3.88Å; E355-R358 PolarHBondContact OE2-NH2 2.91Å; D356-R358 VanDerWaalsContact C-N 3.34Å; D356-R358 PolarHBondContact O-N 3.11Å; R358-A362 WeakPolarHBondContact O-CB 3.48Å; R358-A362 PolarHBondContact O-N 3Å
359V94Very high93.7Very high91 Ų9153.4 Ų53.455%0.55227%0.268SS*.Hα-helixtrans-65.7-45.31751750000111.2E355 D356 L357 A362 Q363E355-V359 PolarHBondContact O-N 3.43Å; D356-V359 PolarHBondContact O-N 3.43Å; L357-V359 VanDerWaalsContact C-N 3.32Å; L357-V359 PolarHBondContact O-N 3.33Å; V359-A362 PolarHBondContact O-N 3.23Å; V359-Q363 PolarHBondContact O-N 3.11Å
360L94.6Very high93.7Very high46 Ų4649.9 Ų49.924%0.24126%0.257CS..Hα-helixtrans-60.3-51.2178.1-174.5151.7000111.7E265 I266 D356 L357 A362 Q363 E364E265-L360 HydrophobicContact CB-CD1 3.72Å; I266-L360 HydrophobicContact CG1-CD1 4.5Å; D356-L360 PolarHBondContact O-N 2.72Å; L357-L360 PolarHBondContact O-N 3.2Å; L360-A362 VanDerWaalsContact C-N 3.29Å; L360-A362 PolarHBondContact O-N 2.76Å; L360-Q363 PolarHBondContact O-N 3.11Å; L360-Q363 VanDerWaalsContact O-N 3.15Å; L360-E364 PolarHBondContact O-N 3.08Å
361L96.6Very high93.6Very high1 Ų156 Ų561%0.00528%0.28CS..Hα-helixtrans-64.6-31.7177.2-67.1176.9000112.6H149 H151 T167 L357 H365H149-L361 WeakPolarHBondContact O-CD2 3.37Å; H151-L361 HydrophobicContact CB-CB 3.55Å; T167-L361 HydrophobicContact CG2-CD1 4.17Å; L357-L361 HydrophobicContact CD1-CD1 3.96Å; L357-L361 HydrophobicContact CD1-CG 3.96Å; L357-L361 HydrophobicContact CG-CD1 3.94Å; L357-L361 HydrophobicContact CG-CG 4.35Å; L357-L361 WeakPolarHBondContact O-CB 2.97Å; L357-L361 WeakPolarHBondContact O-CG 3.27Å; L357-L361 PolarHBondContact O-N 3Å; L361-H365 VanDerWaalsContact O-CB 3.28Å; L361-H365 WeakPolarHBondContact O-CB 3.49Å; L361-H365 PolarHBondContact O-N 2.75Å
362A95.9Very high93.4Very high30 Ų3057.6 Ų57.625%0.24829%0.285CS..Hα-helixtrans-67.7-38.8173.500000112.3H151 R358 V359 L360 H366H151-A362 VanDerWaalsContact CD2-CB 3.48Å; H151-A362 WeakPolarHBondContact CD2-CB 3.35Å; R358-A362 WeakPolarHBondContact O-CB 3.48Å; R358-A362 PolarHBondContact O-N 3Å; V359-A362 PolarHBondContact O-N 3.23Å; L360-A362 VanDerWaalsContact C-N 3.29Å; L360-A362 PolarHBondContact O-N 2.76Å; A362-H366 WeakPolarHBondContact O-CB 3.36Å; A362-H366 PolarHBondContact O-N 3.09Å
363Q95.7Very high93Very high135 Ų13559.7 Ų59.763%0.63129%0.293SS*.Hα-helixtrans-68.6-39.8175.3-178.8175-23.700111.7V359 L360 T367V359-Q363 PolarHBondContact O-N 3.11Å; L360-Q363 PolarHBondContact O-N 3.11Å; L360-Q363 VanDerWaalsContact O-N 3.15Å; Q363-T367 WeakPolarHBondContact O-CB 3.48Å; Q363-T367 PolarHBondContact O-N 3.37Å; Q363-T367 PolarHBondContact O-OG1 2.89Å
364E95.1Very high92.8Very high76 Ų7660.2 Ų60.236%0.35530%0.301SS..Hα-helixtrans-60.5-53.3172.5-166.9-155.2157.500110.9H150 L360 H366 T367 L368H150-E364 VanDerWaalsContact CE1-CD 3.47Å; H150-E364 IonicContact CE1-OE1 3.15Å; H150-E364 PolarHBondContact CE1-OE1 3.25Å; H150-E364 IonicContact CE1-OE2 3.57Å; H150-E364 PolarHBondContact CE1-OE2 2.97Å; H150-E364 IonicContact ND1-OE1 3.18Å; H150-E364 IonicContact ND1-OE2 2.81Å; H150-E364 VanDerWaalsContact NE2-CG 3.32Å; H150-E364 WeakPolarHBondContact NE2-CG 3.41Å; H150-E364 IonicContact NE2-OE1 3.42Å; H150-E364 PolarHBondContact NE2-OE1 3.42Å; H150-E364 IonicContact NE2-OE2 2.83Å; H150-E364 PolarHBondContact NE2-OE2 3.46Å; H150-E364 VanDerWaalsContact NE2-OE2 3.13Å; L360-E364 PolarHBondContact O-N 3.08Å; E364-H366 VanDerWaalsContact C-N 3.33Å; E364-H366 PolarHBondContact O-N 3.03Å; E364-T367 WeakPolarHBondContact O-CA 3.36Å; E364-T367 WeakPolarHBondContact O-CB 3.1Å; E364-T367 PolarHBondContact O-N 3.26Å; E364-L368 HydrophobicContact CG-CD1 4.36Å; E364-L368 WeakPolarHBondContact O-CG 3.47Å; E364-L368 PolarHBondContact O-N 2.79Å
365H95.1Very high92.6Very high16 Ų1664 Ų647%0.07432%0.319CS..Hα-helixtrans-55.7-45.8177.9-175.267.4000112.3H150 H151 L361 T367 L368 R369H150-H365 AromaticContact CD2-ND1 3.5Å; H150-H365 PolarHBondContact CD2-ND1 3.22Å; H151-H365 WeakPolarHBondContact O-CB 3.48Å; H151-H365 PolarHBondContact O-CD2 2.98Å; H151-H365 PolarHBondContact O-ND1 2.96Å; L361-H365 VanDerWaalsContact O-CB 3.28Å; L361-H365 WeakPolarHBondContact O-CB 3.49Å; L361-H365 PolarHBondContact O-N 2.75Å; H365-T367 VanDerWaalsContact C-N 3.34Å; H365-T367 PolarHBondContact O-N 3.38Å; H365-L368 PolarHBondContact O-N 2.75Å; H365-R369 VanDerWaalsContact O-CG 3.3Å; H365-R369 WeakPolarHBondContact O-CG 3.48Å; H365-R369 PolarHBondContact O-N 3.25Å
366H94Very high92.3Very high119 Ų11960.2 Ų60.255%0.55130%0.302SS*.Hα-helixtrans-59.5-44.6174.5178.669.3000111.7A362 E364 R369 V370A362-H366 WeakPolarHBondContact O-CB 3.36Å; A362-H366 PolarHBondContact O-N 3.09Å; E364-H366 VanDerWaalsContact C-N 3.33Å; E364-H366 PolarHBondContact O-N 3.03Å; H366-R369 PolarHBondContact O-N 3.08Å; H366-V370 WeakPolarHBondContact O-CB 3.45Å; H366-V370 WeakPolarHBondContact O-CG2 3.5Å; H366-V370 PolarHBondContact O-N 2.64Å
367T94.8Very high92.2Very high52 Ų5260.6 Ų60.632%0.31930%0.299SS..Hα-helixtrans-61.7-44.7178.5-57.90000111.8Q363 E364 H365 V370 R371Q363-T367 WeakPolarHBondContact O-CB 3.48Å; Q363-T367 PolarHBondContact O-N 3.37Å; Q363-T367 PolarHBondContact O-OG1 2.89Å; E364-T367 WeakPolarHBondContact O-CA 3.36Å; E364-T367 WeakPolarHBondContact O-CB 3.1Å; E364-T367 PolarHBondContact O-N 3.26Å; H365-T367 VanDerWaalsContact C-N 3.34Å; H365-T367 PolarHBondContact O-N 3.38Å; T367-V370 PolarHBondContact O-N 2.83Å; T367-R371 WeakPolarHBondContact O-CG 3.42Å; T367-R371 PolarHBondContact O-N 2.83Å
368L93.7Very high92.1Very high47 Ų4763.7 Ų63.725%0.24631%0.313CS..Hα-helixtrans-63.7-42.4177.3-67.4175.2000112H150 E364 H365 R371 R372 L417 P418H150-L368 WeakPolarHBondContact NE2-CD1 3.27Å; E364-L368 HydrophobicContact CG-CD1 4.36Å; E364-L368 WeakPolarHBondContact O-CG 3.47Å; E364-L368 PolarHBondContact O-N 2.79Å; H365-L368 PolarHBondContact O-N 2.75Å; L368-R371 PolarHBondContact O-N 2.6Å; L368-R372 WeakPolarHBondContact O-CB 3.27Å; L368-R372 PolarHBondContact O-N 2.82Å; L368-L417 HydrophobicContact CB-CD2 3.78Å; L368-P418 HydrophobicContact CD1-CG 4.19Å
369R91.6Very high91.9Very high69 Ų6965.1 Ų65.126%0.2633%0.326SS..Hα-helixtrans-63-47.9175.1-68.7178.691.9-134-0.5111.8H365 H366 R371 R372 F373 L417 L424 D425H365-R369 VanDerWaalsContact O-CG 3.3Å; H365-R369 WeakPolarHBondContact O-CG 3.48Å; H365-R369 PolarHBondContact O-N 3.25Å; H366-R369 PolarHBondContact O-N 3.08Å; R369-R371 VanDerWaalsContact C-N 3.34Å; R369-R371 PolarHBondContact O-N 2.72Å; R369-R372 PolarHBondContact O-N 2.91Å; R369-F373 WeakPolarHBondContact O-CD2 3.33Å; R369-F373 PolarHBondContact O-N 2.71Å; R369-L417 HydrophobicContact CG-CD1 3.8Å; R369-L417 HydrophobicContact CG-CD2 4.07Å; R369-L424 PolarHBondContact NH2-O 2.85Å; R369-D425 IonicContact CZ-OD1 3.75Å; R369-D425 IonicContact NE-OD1 3.47Å; R369-D425 PolarHBondContact NE-OD1 3.34Å; R369-D425 IonicContact NH2-OD1 3.67Å; R369-D425 PolarHBondContact NH2-OD1 2.99Å
370V90.9Very high91.7Very high75 Ų7563.7 Ų63.746%0.45531%0.313SS..Hα-helixtrans-60.5-43.2178.5170.10000111.1H366 T367 F373 S374H366-V370 WeakPolarHBondContact O-CB 3.45Å; H366-V370 WeakPolarHBondContact O-CG2 3.5Å; H366-V370 PolarHBondContact O-N 2.64Å; T367-V370 PolarHBondContact O-N 2.83Å; V370-F373 PolarHBondContact O-N 2.86Å; V370-S374 WeakPolarHBondContact O-CB 3.46Å; V370-S374 PolarHBondContact O-N 3.18Å; V370-S374 PolarHBondContact O-OG 3.1Å
371R90.4Very high91.5Very high132 Ų13265.1 Ų65.150%0.49832%0.318SS..Hα-helixtrans-56.7-55172.3-73.5176.4-1741804.8111T367 L368 R369 F373 S374 E375T367-R371 WeakPolarHBondContact O-CG 3.42Å; T367-R371 PolarHBondContact O-N 2.83Å; L368-R371 PolarHBondContact O-N 2.6Å; R369-R371 VanDerWaalsContact C-N 3.34Å; R369-R371 PolarHBondContact O-N 2.72Å; R371-F373 VanDerWaalsContact C-N 3.29Å; R371-F373 PolarHBondContact O-N 2.72Å; R371-S374 WeakPolarHBondContact CA-OG 3.35Å; R371-S374 WeakPolarHBondContact O-CA 3.37Å; R371-S374 PolarHBondContact O-N 2.84Å; R371-S374 PolarHBondContact O-OG 2.91Å; R371-E375 PolarHBondContact O-N 2.9Å; R371-E375 VanDerWaalsContact O-N 3.14Å
372R88.4Confident91Very high33 Ų3366.5 Ų66.513%0.12532%0.324CS..Hα-helixtrans-59.2-32.2-179.3-178.8168.2163.2141.2-19.2113.9L368 R369 P415 E420L368-R372 WeakPolarHBondContact O-CB 3.27Å; L368-R372 PolarHBondContact O-N 2.82Å; R369-R372 PolarHBondContact O-N 2.91Å; R372-P415 PolarHBondContact NH1-O 3.39Å; R372-E420 IonicContact CZ-OE1 3.86Å; R372-E420 IonicContact NH1-OE1 3.93Å; R372-E420 IonicContact NH2-OE1 3.32Å; R372-E420 PolarHBondContact NH2-OE1 2.64Å
373F85.7Confident90.6Very high64 Ų6468.1 Ų68.128%0.28133%0.332SS..Hα-helixtrans-75.7-33.6171.1-75.4-62.7000113.1R369 V370 R371 E375 A376 L431 P432R369-F373 WeakPolarHBondContact O-CD2 3.33Å; R369-F373 PolarHBondContact O-N 2.71Å; V370-F373 PolarHBondContact O-N 2.86Å; R371-F373 VanDerWaalsContact C-N 3.29Å; R371-F373 PolarHBondContact O-N 2.72Å; F373-E375 VanDerWaalsContact C-N 3.33Å; F373-E375 PolarHBondContact O-N 2.8Å; F373-A376 PolarHBondContact O-N 2.88Å; F373-L431 HydrophobicContact CD1-CD1 4.22Å; F373-L431 HydrophobicContact CE1-CD1 4.01Å; F373-P432 HydrophobicContact CD1-CG 4.01Å; F373-P432 HydrophobicContact CE1-CG 4Å
374S88.5Confident90.2Very high63 Ų6368.4 Ų68.444%0.44133%0.328SS..Hα-helixtrans-69-26.5178.270.30000114V370 R371 A376 F377V370-S374 WeakPolarHBondContact O-CB 3.46Å; V370-S374 PolarHBondContact O-N 3.18Å; V370-S374 PolarHBondContact O-OG 3.1Å; R371-S374 WeakPolarHBondContact CA-OG 3.35Å; R371-S374 WeakPolarHBondContact O-CA 3.37Å; R371-S374 PolarHBondContact O-N 2.84Å; R371-S374 PolarHBondContact O-OG 2.91Å; S374-A376 PolarHBondContact O-N 2.82Å; S374-A376 VanDerWaalsContact O-N 3.12Å; S374-F377 WeakPolarHBondContact O-CB 3.41Å; S374-F377 PolarHBondContact O-N 3.38Å
375E87.3Confident89.6Confident100 Ų10071 Ų7147%0.46734%0.34SS..THydrogen-bonded Turntrans-57.2-24.6172.8-66.4-61145.500113.4R371 F373 F410 L414R371-E375 PolarHBondContact O-N 2.9Å; R371-E375 VanDerWaalsContact O-N 3.14Å; F373-E375 VanDerWaalsContact C-N 3.33Å; F373-E375 PolarHBondContact O-N 2.8Å; E375-F410 HydrophobicContact CB-CZ 4.11Å; E375-F410 VanDerWaalsContact O-CZ 3.31Å; E375-F410 WeakPolarHBondContact O-CZ 3.46Å; E375-L414 HydrophobicContact CB-CD2 3.87Å; E375-L414 HydrophobicContact CG-CD2 3.94Å
376A86.6Confident89.1Confident3 Ų371.5 Ų71.53%0.02535%0.347CS..THydrogen-bonded Turntrans-108.316.6178.500000113.2F373 S374 F378 P432 I433 I434F373-A376 PolarHBondContact O-N 2.88Å; S374-A376 PolarHBondContact O-N 2.82Å; S374-A376 VanDerWaalsContact O-N 3.12Å; A376-F378 WeakPolarHBondContact O-CD2 3.33Å; A376-P432 VanDerWaalsContact CB-O 3.29Å; A376-P432 WeakPolarHBondContact CB-O 3.37Å; A376-I433 HydrophobicContact CB-CG1 4.35Å; A376-I434 PolarHBondContact O-N 2.89Å
377F90Very high88.7Confident93 Ų9368 Ų6841%0.40834%0.338SS..EExtended strand (participates in β ladder)trans-102118180-168.7-77.4000111.1S374 I434 E436S374-F377 WeakPolarHBondContact O-CB 3.41Å; S374-F377 PolarHBondContact O-N 3.38Å; F377-I434 HydrophobicContact CD2-CB 3.77Å; F377-I434 HydrophobicContact CD2-CD1 4.22Å; F377-I434 HydrophobicContact CD2-CG2 3.53Å; F377-I434 HydrophobicContact CE2-CB 4.33Å; F377-I434 HydrophobicContact CE2-CG2 3.57Å; F377-I434 HydrophobicContact CG-CB 4.43Å; F377-I434 HydrophobicContact CG-CG2 4.47Å; F377-E436 HydrophobicContact CE1-CB 3.89Å; F377-E436 HydrophobicContact CZ-CB 3.76Å; F377-E436 HydrophobicContact CZ-CG 4.34Å
378F90.3Very high88.1Confident68 Ų6873 Ų7330%0.29836%0.361SS..EExtended strand (participates in β ladder)trans-118.3120.6-175.8-62.8-86.4000110.8A376 F380 I405 I433 I434 F435 E436A376-F378 WeakPolarHBondContact O-CD2 3.33Å; F378-F380 HydrophobicContact CB-CE2 4.34Å; F378-F380 HydrophobicContact CB-CZ 4.5Å; F378-I405 HydrophobicContact CD2-CD1 4.45Å; F378-I405 HydrophobicContact CE1-CD1 4.43Å; F378-I405 HydrophobicContact CE2-CD1 3.68Å; F378-I405 HydrophobicContact CZ-CD1 3.67Å; F378-I433 HydrophobicContact CD2-CG2 3.86Å; F378-I433 HydrophobicContact CE2-CG2 3.86Å; F378-I434 PolarHBondContact N-O 2.94Å; F378-F435 HydrophobicContact CB-CD1 3.73Å; F378-F435 HydrophobicContact CB-CE1 3.94Å; F378-F435 HydrophobicContact CD2-CD1 4.44Å; F378-F435 HydrophobicContact CD2-CE1 4.03Å; F378-F435 HydrophobicContact CG-CD1 4.42Å; F378-F435 HydrophobicContact CG-CE1 4.15Å; F378-F435 CarbonylContact O-C 2.97Å; F378-F435 WeakPolarHBondContact O-CA 3.45Å; F378-E436 PolarHBondContact O-N 2.89Å
379C91.4Very high87.3Confident54 Ų5473.5 Ų73.537%0.36537%0.372SS..EExtended strand (participates in β ladder)trans-100.8132.4177.1176.50000110.8E436 R438C379-E436 WeakPolarHBondContact CA-O 3.18Å; C379-R438 PolarHBondContact SG-NH1 3.15Å
380F88.4Confident86Confident62 Ų6279.7 Ų79.727%0.27240%0.397SS..EExtended strand (participates in β ladder)trans-120.5132.2172.1-63.8-65.5000110.5F378 H382 H398 M401 F435 E436 R438F378-F380 HydrophobicContact CB-CE2 4.34Å; F378-F380 HydrophobicContact CB-CZ 4.5Å; F380-H382 WeakPolarHBondContact CB-NE2 3.24Å; F380-H398 AromaticContact CD2-NE2 3.66Å; F380-H398 AromaticContact CE2-NE2 3.85Å; F380-M401 HydrophobicContact CE2-CE 3.54Å; F380-M401 HydrophobicContact CE2-SD 4.4Å; F380-M401 HydrophobicContact CZ-CE 3.48Å; F380-M401 VanDerWaalsContact CZ-CE 3.48Å; F380-M401 HydrophobicContact CZ-SD 3.75Å; F380-F435 AromaticContact CE2-CD1 3.77Å; F380-F435 HydrophobicContact CE2-CD1 3.77Å; F380-F435 HydrophobicContact CE2-CE1 4.19Å; F380-E436 PolarHBondContact N-O 2.82Å; F380-R438 PolarHBondContact O-N 3.06Å
381E90.6Very high85Confident75 Ų7579.8 Ų79.835%0.3539%0.393SS..EExtended strand (participates in β ladder)trans-100.1123.8175.5-66-169.5162.600110.7R438 L440 V443E381-R438 WeakPolarHBondContact CA-O 3.41Å; E381-R438 IonicContact OE1-CZ 2.73Å; E381-R438 IonicContact OE1-NH1 3.46Å; E381-R438 PolarHBondContact OE1-NH1 2.96Å; E381-R438 IonicContact OE1-NH2 2.76Å; E381-R438 PolarHBondContact OE1-NH2 3.03Å; E381-L440 HydrophobicContact CB-CD1 4.17Å; E381-L440 VanDerWaalsContact CD-CD1 3.47Å; E381-L440 HydrophobicContact CG-CD1 3.92Å; E381-V443 HydrophobicContact CB-CG1 4.29Å
382H85.9Confident84.2Confident30 Ų3078.1 Ų78.114%0.13939%0.39CS..EExtended strand (participates in β ladder)trans-121.2151.2-175.2-60.4-78.9000111.1F380 A386 H394 D437 R438 Y439 L440 V443F380-H382 WeakPolarHBondContact CB-NE2 3.24Å; H382-A386 HydrophobicContact CB-CB 4.33Å; H382-H394 AromaticContact CE1-CE1 3.18Å; H382-H394 PolarHBondContact CE1-CE1 2.91Å; H382-H394 AromaticContact CE1-ND1 3.56Å; H382-H394 AromaticContact CE1-NE2 3.84Å; H382-H394 AromaticContact CG-CE1 3.88Å; H382-H394 AromaticContact ND1-CE1 3.34Å; H382-H394 PolarHBondContact ND1-CE1 3.33Å; H382-H394 VanDerWaalsContact ND1-CE1 3.34Å; H382-H394 AromaticContact ND1-NE2 3.94Å; H382-H394 AromaticContact NE2-CE1 3.62Å; H382-H394 AromaticContact NE2-ND1 3.66Å; H382-D437 IonicContact CD2-OD1 3.69Å; H382-D437 IonicContact CE1-OD1 3.54Å; H382-D437 VanDerWaalsContact NE2-CG 3.29Å; H382-D437 IonicContact NE2-OD1 3.87Å; H382-D437 PolarHBondContact NE2-OD1 2.96Å; H382-D437 IonicContact NE2-OD2 3.59Å; H382-R438 PolarHBondContact N-O 3.17Å; H382-Y439 HydrophobicContact CB-CD1 3.53Å; H382-Y439 HydrophobicContact CB-CE1 3.55Å; H382-Y439 HydrophobicContact CB-CG 4.34Å; H382-Y439 AromaticContact CD2-CZ 3.96Å; H382-Y439 AromaticContact CG-CE1 3.9Å; H382-Y439 CarbonylContact O-C 3.53Å; H382-Y439 WeakPolarHBondContact O-CA 3.5Å; H382-L440 PolarHBondContact O-N 2.98Å; H382-V443 WeakPolarHBondContact O-CG2 3.41Å
383P87.5Confident83.6Confident64 Ų6482.9 Ų82.942%0.41642%0.418SS..EExtended strand (participates in β ladder)trans-61.3144.1172-20.833.3000110.6E385 A386 V443P383-E385 WeakPolarHBondContact CB-OE2 3.45Å; P383-E385 PolarHBondContact O-N 2.84Å; P383-E385 VanDerWaalsContact O-N 3.11Å; P383-A386 VanDerWaalsContact O-CB 3.27Å; P383-A386 WeakPolarHBondContact O-CB 3.5Å; P383-A386 PolarHBondContact O-N 2.81Å; P383-V443 HydrophobicContact CB-CG2 4.44Å; P383-V443 HydrophobicContact CG-CG2 3.99Å; P383-V443 VanDerWaalsContact N-CG2 3.26Å
384R87.1Confident83.4Confident142 Ų14281.8 Ų81.854%0.53641%0.413SS..G310 helixtrans-55.3-31.6179.1-173.6173.9-179.3170.74.6112.9A386 A387 L440 D441R384-A386 PolarHBondContact O-N 3.29Å; R384-A387 VanDerWaalsContact O-CB 3.27Å; R384-A387 WeakPolarHBondContact O-CB 3.42Å; R384-A387 PolarHBondContact O-N 2.56Å; R384-A387 VanDerWaalsContact O-N 3.13Å; R384-L440 PolarHBondContact N-O 2.99Å; R384-D441 WeakPolarHBondContact CD-OD1 3.31Å; R384-D441 IonicContact CZ-OD1 2.66Å; R384-D441 IonicContact NE-OD1 3.49Å; R384-D441 VanDerWaalsContact NH1-CG 3.34Å; R384-D441 IonicContact NH1-OD1 2.71Å; R384-D441 PolarHBondContact NH1-OD1 3.19Å; R384-D441 IonicContact NH1-OD2 3.54Å; R384-D441 PolarHBondContact NH1-OD2 3.15Å
385E84.5Confident83.1Confident131 Ų13180.6 Ų80.661%0.61241%0.407SS*.G310 helixtrans-65.1-22175.6-6173-160.800113.1P383 A387 I388P383-E385 WeakPolarHBondContact CB-OE2 3.45Å; P383-E385 PolarHBondContact O-N 2.84Å; P383-E385 VanDerWaalsContact O-N 3.11Å; E385-A387 VanDerWaalsContact C-N 3.32Å; E385-I388 WeakPolarHBondContact O-CG1 3.49Å
386A83.9Confident83Confident26 Ų2680 Ų8022%0.21541%0.405CS..G310 helixtrans-75.2-20.5174.200000112.7H382 P383 R384 I388 A389 Y439H382-A386 HydrophobicContact CB-CB 4.33Å; P383-A386 VanDerWaalsContact O-CB 3.27Å; P383-A386 WeakPolarHBondContact O-CB 3.5Å; P383-A386 PolarHBondContact O-N 2.81Å; R384-A386 PolarHBondContact O-N 3.29Å; A386-I388 PolarHBondContact O-N 2.81Å; A386-A389 PolarHBondContact O-N 2.75Å; A386-A389 VanDerWaalsContact O-N 3.13Å; A386-Y439 HydrophobicContact CB-CD1 4.17Å; A386-Y439 HydrophobicContact CB-CE1 3.91Å
387A84.8Confident83Confident45 Ų4582.3 Ų82.337%0.37242%0.42SS..G310 helixtrans-65.7-22.6178.900000113.3R384 E385 Y439R384-A387 VanDerWaalsContact O-CB 3.27Å; R384-A387 WeakPolarHBondContact O-CB 3.42Å; R384-A387 PolarHBondContact O-N 2.56Å; R384-A387 VanDerWaalsContact O-N 3.13Å; E385-A387 VanDerWaalsContact C-N 3.32Å; A387-Y439 HydrophobicContact CB-CD1 3.68Å; A387-Y439 HydrophobicContact CB-CD2 4.32Å; A387-Y439 HydrophobicContact CB-CE1 4.27Å; A387-Y439 HydrophobicContact CB-CG 3.74Å
388I82.3Confident83.1Confident156 Ų15679.2 Ų79.280%0.841%0.407SS*.G310 helixtrans-97.6-0.8177.355.3170.8000113.3E385 A386E385-I388 WeakPolarHBondContact O-CG1 3.49Å; A386-I388 PolarHBondContact O-N 2.81Å
389A77.9Confident83.1Confident59 Ų5981 Ų8149%0.48842%0.42SS..SBendtrans-86.7155.8171.300000110.9A386 Q391A386-A389 PolarHBondContact O-N 2.75Å; A386-A389 VanDerWaalsContact O-N 3.13Å; A389-Q391 PolarHBondContact O-N 3.4Å
390Y63.1Low83.1Confident198 Ų19884.9 Ų84.978%0.77643%0.432SS*.  trans-78110.2178.4-179.8-117.3000110.9E392Y390-E392 HydrophobicContact CD1-CB 3.94Å; Y390-E392 HydrophobicContact CE1-CB 3.52Å; Y390-E392 HydrophobicContact CE1-CG 4.41Å; Y390-E392 WeakPolarHBondContact CE1-OE2 3.43Å; Y390-E392 PolarHBondContact O-N 3.24Å
391Q69.5Low83.2Confident78 Ų7884.4 Ų84.436%0.36443%0.431SS..THydrogen-bonded Turntrans-77.719.3-165-70.2158.14.300115.7A389 L393 H394 A395 Y439A389-Q391 PolarHBondContact O-N 3.4Å; Q391-L393 PolarHBondContact O-N 3.26Å; Q391-H394 HydrophobicContact CB-CB 4.45Å; Q391-H394 WeakPolarHBondContact O-CB 3.27Å; Q391-H394 PolarHBondContact O-N 2.92Å; Q391-A395 PolarHBondContact O-N 2.86Å; Q391-A395 VanDerWaalsContact O-N 3.11Å; Q391-Y439 PolarHBondContact NE2-OH 3.11Å; Q391-Y439 VanDerWaalsContact NE2-OH 3.17Å
392E75.1Confident83.2Confident96 Ų9682.3 Ų82.345%0.44943%0.425SS..Hα-helixtrans-57.3-34.3179-176.8177.1-175.100112.1Y390 H394 A395 Q396Y390-E392 HydrophobicContact CD1-CB 3.94Å; Y390-E392 HydrophobicContact CE1-CB 3.52Å; Y390-E392 HydrophobicContact CE1-CG 4.41Å; Y390-E392 WeakPolarHBondContact CE1-OE2 3.43Å; Y390-E392 PolarHBondContact O-N 3.24Å; E392-H394 VanDerWaalsContact C-N 3.33Å; E392-H394 PolarHBondContact O-N 3.08Å; E392-A395 PolarHBondContact O-N 2.86Å; E392-Q396 HydrophobicContact CG-CG 4.35Å; E392-Q396 WeakPolarHBondContact O-CB 3.49Å; E392-Q396 VanDerWaalsContact O-CG 3.31Å; E392-Q396 WeakPolarHBondContact O-CG 3.34Å; E392-Q396 PolarHBondContact O-N 3.19Å; E392-Q396 PolarHBondContact OE1-NE2 2.72Å; E392-Q396 VanDerWaalsContact OE1-NE2 3.11Å
393L75.7Confident83.4Confident133 Ų13384.2 Ų84.270%0.69644%0.439SS*.Hα-helixtrans-63.7-36.1176.1-162.673.2000112.7Q391 S397Q391-L393 PolarHBondContact O-N 3.26Å; L393-S397 WeakPolarHBondContact O-CB 3.45Å; L393-S397 PolarHBondContact O-N 3.26Å
394H81.1Confident83.6Confident42 Ų4283.9 Ų83.919%0.19444%0.441CS..Hα-helixtrans-69.6-46.1175.5-65.5-164.1000109.9H382 Q391 E392 Q396 S397 H398 D437 Y439H382-H394 AromaticContact CE1-CE1 3.18Å; H382-H394 PolarHBondContact CE1-CE1 2.91Å; H382-H394 AromaticContact CE1-ND1 3.56Å; H382-H394 AromaticContact CE1-NE2 3.84Å; H382-H394 AromaticContact CG-CE1 3.88Å; H382-H394 AromaticContact ND1-CE1 3.34Å; H382-H394 PolarHBondContact ND1-CE1 3.33Å; H382-H394 VanDerWaalsContact ND1-CE1 3.34Å; H382-H394 AromaticContact ND1-NE2 3.94Å; H382-H394 AromaticContact NE2-CE1 3.62Å; H382-H394 AromaticContact NE2-ND1 3.66Å; Q391-H394 HydrophobicContact CB-CB 4.45Å; Q391-H394 WeakPolarHBondContact O-CB 3.27Å; Q391-H394 PolarHBondContact O-N 2.92Å; E392-H394 VanDerWaalsContact C-N 3.33Å; E392-H394 PolarHBondContact O-N 3.08Å; H394-Q396 VanDerWaalsContact C-N 3.3Å; H394-Q396 PolarHBondContact O-N 2.62Å; H394-S397 CarbonylContact O-C 3.59Å; H394-S397 WeakPolarHBondContact O-CA 3.38Å; H394-S397 WeakPolarHBondContact O-CB 3.33Å; H394-S397 PolarHBondContact O-N 3.02Å; H394-S397 VanDerWaalsContact O-N 3.07Å; H394-H398 WeakPolarHBondContact O-CB 3.26Å; H394-H398 PolarHBondContact O-CD2 3.35Å; H394-H398 VanDerWaalsContact O-CD2 3.26Å; H394-H398 PolarHBondContact O-N 2.91Å; H394-D437 IonicContact ND1-OD2 2.92Å; H394-D437 PolarHBondContact ND1-OD2 2.91Å; H394-Y439 PolarHBondContact CE1-OH 2.9Å; H394-Y439 PolarHBondContact ND1-OH 2.86Å
395A82.1Confident83.6Confident38 Ų3878.6 Ų78.631%0.31442%0.423SS..Hα-helixtrans-58.7-40.1176.100000112.5Q391 E392 L399Q391-A395 PolarHBondContact O-N 2.86Å; Q391-A395 VanDerWaalsContact O-N 3.11Å; E392-A395 PolarHBondContact O-N 2.86Å; A395-L399 WeakPolarHBondContact O-CB 3.45Å; A395-L399 PolarHBondContact O-N 3.03Å
396Q85.6Confident83.7Confident87 Ų8776.2 Ų76.241%0.40741%0.411SS..Hα-helixtrans-66.5-40.2173.6-70.9178.91500112.3E392 H394 L399 Q400E392-Q396 HydrophobicContact CG-CG 4.35Å; E392-Q396 WeakPolarHBondContact O-CB 3.49Å; E392-Q396 VanDerWaalsContact O-CG 3.31Å; E392-Q396 WeakPolarHBondContact O-CG 3.34Å; E392-Q396 PolarHBondContact O-N 3.19Å; E392-Q396 PolarHBondContact OE1-NE2 2.72Å; E392-Q396 VanDerWaalsContact OE1-NE2 3.11Å; H394-Q396 VanDerWaalsContact C-N 3.3Å; H394-Q396 PolarHBondContact O-N 2.62Å; Q396-L399 PolarHBondContact O-N 3.03Å; Q396-Q400 WeakPolarHBondContact O-CG 3.35Å; Q396-Q400 PolarHBondContact O-N 3.35Å
397S87.1Confident83.9Confident51 Ų5181.5 Ų81.536%0.35744%0.435SS..Hα-helixtrans-62.6-46.9173.9-173.60000111.9L393 H394 L399 Q400 M401L393-S397 WeakPolarHBondContact O-CB 3.45Å; L393-S397 PolarHBondContact O-N 3.26Å; H394-S397 CarbonylContact O-C 3.59Å; H394-S397 WeakPolarHBondContact O-CA 3.38Å; H394-S397 WeakPolarHBondContact O-CB 3.33Å; H394-S397 PolarHBondContact O-N 3.02Å; H394-S397 VanDerWaalsContact O-N 3.07Å; S397-L399 VanDerWaalsContact C-N 3.32Å; S397-L399 PolarHBondContact O-N 2.82Å; S397-Q400 WeakPolarHBondContact O-CB 3.33Å; S397-Q400 PolarHBondContact O-N 3.36Å; S397-Q400 VanDerWaalsContact O-N 3.11Å; S397-M401 PolarHBondContact O-N 2.96Å
398H91.3Very high84.1Confident29 Ų2983.1 Ų83.113%0.13444%0.441CS..Hα-helixtrans-62-39.4178.4-65.5178.1000111.4F380 H394 M401 C402 F435 D437F380-H398 AromaticContact CD2-NE2 3.66Å; F380-H398 AromaticContact CE2-NE2 3.85Å; H394-H398 WeakPolarHBondContact O-CB 3.26Å; H394-H398 PolarHBondContact O-CD2 3.35Å; H394-H398 VanDerWaalsContact O-CD2 3.26Å; H394-H398 PolarHBondContact O-N 2.91Å; H398-M401 PolarHBondContact O-N 3.45Å; H398-C402 WeakPolarHBondContact O-CB 3.39Å; H398-C402 PolarHBondContact O-N 2.83Å; H398-F435 HydrophobicContact CB-CD2 3.68Å; H398-F435 HydrophobicContact CB-CE2 3.77Å; H398-F435 HydrophobicContact CB-CG 4.08Å; H398-F435 HydrophobicContact CB-CZ 4.26Å; H398-F435 AromaticContact CG-CD2 3.89Å; H398-F435 AromaticContact CG-CG 3.76Å; H398-F435 AromaticContact ND1-CG 3.82Å; H398-F435 WeakPolarHBondContact O-CE2 3.3Å; H398-D437 IonicContact CE1-OD1 3.7Å; H398-D437 PolarHBondContact CE1-OD1 3.05Å; H398-D437 IonicContact CE1-OD2 3.2Å; H398-D437 IonicContact NE2-OD1 3.34Å
399L90.5Very high84.2Confident106 Ų10679.9 Ų79.956%0.55543%0.432SS*.Hα-helixtrans-64.9-41.4173-177.561000112.3A395 Q396 S397 T403A395-L399 WeakPolarHBondContact O-CB 3.45Å; A395-L399 PolarHBondContact O-N 3.03Å; Q396-L399 PolarHBondContact O-N 3.03Å; S397-L399 VanDerWaalsContact C-N 3.32Å; S397-L399 PolarHBondContact O-N 2.82Å; L399-T403 WeakPolarHBondContact O-CB 3.38Å; L399-T403 PolarHBondContact O-N 2.82Å; L399-T403 PolarHBondContact O-OG1 2.9Å
400Q91.5Very high84.6Confident134 Ų13479.7 Ų79.763%0.62642%0.42SS*.Hα-helixtrans-64.8-44.1175.7-72.2173.942.800112Q396 S397 T403 A404Q396-Q400 WeakPolarHBondContact O-CG 3.35Å; Q396-Q400 PolarHBondContact O-N 3.35Å; S397-Q400 WeakPolarHBondContact O-CB 3.33Å; S397-Q400 PolarHBondContact O-N 3.36Å; S397-Q400 VanDerWaalsContact O-N 3.11Å; Q400-T403 PolarHBondContact O-N 2.99Å; Q400-A404 WeakPolarHBondContact O-CB 3.31Å; Q400-A404 PolarHBondContact O-N 2.96Å
401M90.5Very high85.4Confident52 Ų5271.2 Ų71.226%0.25639%0.39SS..Hα-helixtrans-66.1-45176.6-71.1-173.7-68.100112.1F380 S397 H398 T403 A404 I405 F435F380-M401 HydrophobicContact CE2-CE 3.54Å; F380-M401 HydrophobicContact CE2-SD 4.4Å; F380-M401 HydrophobicContact CZ-CE 3.48Å; F380-M401 VanDerWaalsContact CZ-CE 3.48Å; F380-M401 HydrophobicContact CZ-SD 3.75Å; S397-M401 PolarHBondContact O-N 2.96Å; H398-M401 PolarHBondContact O-N 3.45Å; M401-T403 VanDerWaalsContact C-N 3.3Å; M401-T403 PolarHBondContact O-N 2.91Å; M401-A404 PolarHBondContact O-N 2.86Å; M401-A404 VanDerWaalsContact O-N 3.14Å; M401-I405 WeakPolarHBondContact O-CD1 3.43Å; M401-I405 VanDerWaalsContact O-CG1 3.27Å; M401-I405 WeakPolarHBondContact O-CG1 3.46Å; M401-I405 PolarHBondContact O-N 2.85Å; M401-F435 HydrophobicContact CB-CE1 4.36Å; M401-F435 HydrophobicContact CB-CZ 4.13Å; M401-F435 HydrophobicContact CE-CE1 4.06Å
402C90.4Very high86Confident32 Ų3271.3 Ų71.322%0.21640%0.399CS..Hα-helixtrans-56-45.1173178.50000111.5H398 I405 K406 I433 F435H398-C402 WeakPolarHBondContact O-CB 3.39Å; H398-C402 PolarHBondContact O-N 2.83Å; C402-I405 PolarHBondContact O-N 2.89Å; C402-K406 WeakPolarHBondContact O-CB 3.47Å; C402-K406 WeakPolarHBondContact O-CG 3.35Å; C402-K406 PolarHBondContact O-N 2.81Å; C402-I433 HydrophobicContact CB-CD1 4.4Å; C402-F435 HydrophobicContact CB-CE2 4.22Å; C402-F435 HydrophobicContact CB-CZ 4.41Å
403T89.9Confident86.5Confident70 Ų7070.3 Ų70.343%0.42940%0.403SS..Hα-helixtrans-63.8-41.3175.7-55.70000111.8L399 Q400 M401 N407L399-T403 WeakPolarHBondContact O-CB 3.38Å; L399-T403 PolarHBondContact O-N 2.82Å; L399-T403 PolarHBondContact O-OG1 2.9Å; Q400-T403 PolarHBondContact O-N 2.99Å; M401-T403 VanDerWaalsContact C-N 3.3Å; M401-T403 PolarHBondContact O-N 2.91Å; T403-N407 WeakPolarHBondContact O-CB 3.19Å; T403-N407 VanDerWaalsContact O-CG 3.25Å; T403-N407 PolarHBondContact O-N 3.32Å; T403-N407 PolarHBondContact O-ND2 2.93Å
404A90.9Very high86.9Confident57 Ų5764.9 Ų64.947%0.47137%0.374SS..Hα-helixtrans-64-49.7177.200000111.4Q400 M401 N407 T408Q400-A404 WeakPolarHBondContact O-CB 3.31Å; Q400-A404 PolarHBondContact O-N 2.96Å; M401-A404 PolarHBondContact O-N 2.86Å; M401-A404 VanDerWaalsContact O-N 3.14Å; A404-N407 PolarHBondContact O-N 3.34Å; A404-N407 VanDerWaalsContact O-N 3.17Å; A404-T408 WeakPolarHBondContact O-CG2 3.39Å; A404-T408 PolarHBondContact O-N 3.4Å
405I88.4Confident87.1Confident30 Ų3066.4 Ų66.415%0.15439%0.388CS..Hα-helixtrans-60-49179.6-65.5160.3000110.7F378 M401 C402 N407 T408 F410 I433F378-I405 HydrophobicContact CD2-CD1 4.45Å; F378-I405 HydrophobicContact CE1-CD1 4.43Å; F378-I405 HydrophobicContact CE2-CD1 3.68Å; F378-I405 HydrophobicContact CZ-CD1 3.67Å; M401-I405 WeakPolarHBondContact O-CD1 3.43Å; M401-I405 VanDerWaalsContact O-CG1 3.27Å; M401-I405 WeakPolarHBondContact O-CG1 3.46Å; M401-I405 PolarHBondContact O-N 2.85Å; C402-I405 PolarHBondContact O-N 2.89Å; I405-N407 PolarHBondContact O-N 2.82Å; I405-T408 WeakPolarHBondContact O-CB 3.2Å; I405-T408 PolarHBondContact O-N 3.47Å; I405-T408 PolarHBondContact O-OG1 2.82Å; I405-F410 HydrophobicContact CG2-CD1 3.97Å; I405-I433 HydrophobicContact CB-CD1 3.87Å; I405-I433 HydrophobicContact CD1-CD1 4.26Å; I405-I433 HydrophobicContact CD1-CG2 4.37Å; I405-I433 HydrophobicContact CG2-CD1 3.68Å
406K86.8Confident87.4Confident82 Ų8268 Ų6836%0.35740%0.395SS..Hα-helixtrans-67.5-13.7179.2-68.3-163.2174.9-159.90114.3C402 N429 L431 I433C402-K406 WeakPolarHBondContact O-CB 3.47Å; C402-K406 WeakPolarHBondContact O-CG 3.35Å; C402-K406 PolarHBondContact O-N 2.81Å; K406-N429 PolarHBondContact NZ-O 3.17Å; K406-L431 PolarHBondContact NZ-O 2.92Å; K406-L431 VanDerWaalsContact NZ-O 3.09Å; K406-I433 HydrophobicContact CD-CD1 4.49Å; K406-I433 HydrophobicContact CG-CD1 3.89Å
407N87.8Confident87.7Confident136 Ų13664.1 Ų64.173%0.72738%0.377SS*.THydrogen-bonded Turntrans-90.5-3.4170.4-75-39.4000113.5T403 A404 I405T403-N407 WeakPolarHBondContact O-CB 3.19Å; T403-N407 VanDerWaalsContact O-CG 3.25Å; T403-N407 PolarHBondContact O-N 3.32Å; T403-N407 PolarHBondContact O-ND2 2.93Å; A404-N407 PolarHBondContact O-N 3.34Å; A404-N407 VanDerWaalsContact O-N 3.17Å; I405-N407 PolarHBondContact O-N 2.82Å
408T88.3Confident88.1Confident80 Ų8063.2 Ų63.249%0.49137%0.37SS..SBendtrans-93.9170.3171.672.10000111.6A404 I405 F410A404-T408 WeakPolarHBondContact O-CG2 3.39Å; A404-T408 PolarHBondContact O-N 3.4Å; I405-T408 WeakPolarHBondContact O-CB 3.2Å; I405-T408 PolarHBondContact O-N 3.47Å; I405-T408 PolarHBondContact O-OG1 2.82Å; T408-F410 PolarHBondContact O-N 3.05Å; T408-F410 WeakPolarHBondContact OG1-CB 3.22Å; T408-F410 PolarHBondContact OG1-N 3.1Å; T408-F410 VanDerWaalsContact OG1-N 3.15Å
409S85.5Confident88.4Confident88 Ų8862 Ų6262%0.61536%0.364SS*.SBendtrans-75.63.3169.757.70000114.3C411 S412 S413S409-C411 PolarHBondContact O-N 2.94Å; S409-S412 CarbonylContact O-C 3.6Å; S409-S412 WeakPolarHBondContact O-CA 3.06Å; S409-S412 WeakPolarHBondContact O-CB 3.25Å; S409-S412 PolarHBondContact O-N 3.34Å; S409-S413 PolarHBondContact O-N 3.25Å; S409-S413 PolarHBondContact O-OG 3.43Å
410F85.5Confident88.5Confident54 Ų5458.6 Ų58.624%0.23735%0.346CS..G310 helixtrans-51.7-54.4-170.5176.6-107.6000113.3E375 I405 T408 S412 S413 L414E375-F410 HydrophobicContact CB-CZ 4.11Å; E375-F410 VanDerWaalsContact O-CZ 3.31Å; E375-F410 WeakPolarHBondContact O-CZ 3.46Å; I405-F410 HydrophobicContact CG2-CD1 3.97Å; T408-F410 PolarHBondContact O-N 3.05Å; T408-F410 WeakPolarHBondContact OG1-CB 3.22Å; T408-F410 PolarHBondContact OG1-N 3.1Å; T408-F410 VanDerWaalsContact OG1-N 3.15Å; F410-S412 PolarHBondContact O-N 2.8Å; F410-S413 WeakPolarHBondContact CA-OG 2.9Å; F410-S413 PolarHBondContact O-N 3.02Å; F410-S413 PolarHBondContact O-OG 3.11Å; F410-L414 HydrophobicContact CE1-CD2 4.29Å; F410-L414 HydrophobicContact CE2-CD2 4.34Å; F410-L414 HydrophobicContact CZ-CD2 4.03Å; F410-L414 PolarHBondContact O-N 3.11Å
411C79.8Confident88.6Confident20 Ų2052.3 Ų52.314%0.13532%0.317CS..G310 helixtrans-61.1-27.3178.9-55.30000112.9S409 L428S409-C411 PolarHBondContact O-N 2.94Å; C411-L428 HydrophobicContact CB-CD2 3.71Å; C411-L428 WeakPolarHBondContact O-CD2 3.23Å
412S81.4Confident88.6Confident80 Ų8052.9 Ų52.956%0.55933%0.326SS*.G310 helixtrans-84-14178-49.20000113.5S409 F410 L428S409-S412 CarbonylContact O-C 3.6Å; S409-S412 WeakPolarHBondContact O-CA 3.06Å; S409-S412 WeakPolarHBondContact O-CB 3.25Å; S409-S412 PolarHBondContact O-N 3.34Å; F410-S412 PolarHBondContact O-N 2.8Å; S412-L428 WeakPolarHBondContact OG-CD2 3.37Å
413S85.4Confident88.6Confident76 Ų7655.4 Ų55.453%0.53133%0.334SS..SBendtrans-96.4-1.3172.246.60000113.5S409 F410S409-S413 PolarHBondContact O-N 3.25Å; S409-S413 PolarHBondContact O-OG 3.43Å; F410-S413 WeakPolarHBondContact CA-OG 2.9Å; F410-S413 PolarHBondContact O-N 3.02Å; F410-S413 PolarHBondContact O-OG 3.11Å
414L85.3Confident88.7Confident18 Ų1854.2 Ų54.29%0.09433%0.325CS..SBendtrans-69.8133.4172.3-62.9-178.9000109.8E375 F410 L431E375-L414 HydrophobicContact CB-CD2 3.87Å; E375-L414 HydrophobicContact CG-CD2 3.94Å; F410-L414 HydrophobicContact CE1-CD2 4.29Å; F410-L414 HydrophobicContact CE2-CD2 4.34Å; F410-L414 HydrophobicContact CZ-CD2 4.03Å; F410-L414 PolarHBondContact O-N 3.11Å; L414-L431 HydrophobicContact CD1-CD2 3.69Å
415P86.1Confident88.6Confident75 Ų7552 Ų5249%0.48731%0.305SS..PPolyproline II helixtrans-61.7142.3178.424.9-33.1000110.8R372R372-P415 PolarHBondContact NH1-O 3.39Å
416P87.8Confident88.5Confident71 Ų7151 Ų5146%0.46130%0.303SS..PPolyproline II helixtrans-67.3153.8174.828.1-33.5000112H141H141-P416 WeakPolarHBondContact CE1-CB 3.44Å
417L92.4Very high88.4Confident5 Ų550 Ų503%0.02630%0.301CS..PPolyproline II helixtrans-76.2141.1163.6-60.7170.9000108.6H141 L368 R369 I419 E420 D425H141-L417 PolarHBondContact CD2-O 2.66Å; L368-L417 HydrophobicContact CB-CD2 3.78Å; R369-L417 HydrophobicContact CG-CD1 3.8Å; R369-L417 HydrophobicContact CG-CD2 4.07Å; L417-I419 VanDerWaalsContact CB-O 3.28Å; L417-I419 WeakPolarHBondContact CB-O 3.17Å; L417-I419 CarbonylContact O-C 3.57Å; L417-I419 PolarHBondContact O-N 3.29Å; L417-I419 VanDerWaalsContact O-N 3.16Å; L417-E420 HydrophobicContact CB-CB 4.36Å; L417-D425 HydrophobicContact CD1-CB 3.89Å; L417-D425 VanDerWaalsContact CD1-CG 3.45Å
418P95.1Very high88Confident33 Ų3347.8 Ų47.821%0.21429%0.289CS..SBendtrans-56.6-33.8180-26.435000113.2H141 L148 H150 L368H141-P418 PolarHBondContact N-O 3.14Å; L148-P418 HydrophobicContact CD1-CB 3.59Å; H150-P418 HydrophobicContact CB-CB 4.21Å; L368-P418 HydrophobicContact CD1-CG 4.19Å
419I96.1Very high87.6Confident2 Ų250 Ų501%0.0130%0.298CS..EExtended strand (participates in β ladder)trans-117.7115.4162.9-57.6177.5000106.7L138 L140 H150 A152 V168 L417L138-I419 HydrophobicContact CB-CG2 3.96Å; L138-I419 HydrophobicContact CD1-CG2 3.93Å; L138-I419 HydrophobicContact CG-CG2 4.36Å; L140-I419 HydrophobicContact CD2-CB 4.46Å; L140-I419 HydrophobicContact CD2-CD1 4.44Å; L140-I419 HydrophobicContact CD2-CG1 3.92Å; L140-I419 HydrophobicContact CD2-CG2 4.1Å; H150-I419 HydrophobicContact CB-CD1 3.94Å; H150-I419 HydrophobicContact CB-CG1 4.08Å; A152-I419 HydrophobicContact CB-CB 4.31Å; A152-I419 HydrophobicContact CB-CD1 4.21Å; A152-I419 HydrophobicContact CB-CG2 3.99Å; V168-I419 HydrophobicContact CB-CD1 3.98Å; V168-I419 HydrophobicContact CG2-CD1 3.8Å; L417-I419 VanDerWaalsContact CB-O 3.28Å; L417-I419 WeakPolarHBondContact CB-O 3.17Å; L417-I419 CarbonylContact O-C 3.57Å; L417-I419 PolarHBondContact O-N 3.29Å; L417-I419 VanDerWaalsContact O-N 3.16Å
420E93Very high87.6Confident35 Ų3549.1 Ų49.116%0.16429%0.292CS..EExtended strand (participates in β ladder)trans-116.8129.2-176.5176.4174.9-13000110.1K139 H141 R372 L417K139-E420 HydrophobicContact CB-CB 4.45Å; K139-E420 PolarHBondContact N-O 3.17Å; K139-E420 IonicContact NZ-OE2 3.52Å; K139-E420 PolarHBondContact O-N 3.36Å; H141-E420 IonicContact CE1-OE2 2.71Å; H141-E420 PolarHBondContact CE1-OE2 3Å; H141-E420 IonicContact NE2-OE2 2.81Å; H141-E420 PolarHBondContact NE2-OE2 2.81Å; R372-E420 IonicContact CZ-OE1 3.86Å; R372-E420 IonicContact NH1-OE1 3.93Å; R372-E420 IonicContact NH2-OE1 3.32Å; R372-E420 PolarHBondContact NH2-OE1 2.64Å; L417-E420 HydrophobicContact CB-CB 4.36Å
421C94.3Very high87.6Confident3 Ų346.9 Ų46.92%0.0228%0.282CS..  trans-127.6108.3172.7-170.30000110.1T137 L138 E423 L424 D425T137-C421 PolarHBondContact O-SG 2.89Å; T137-C421 VanDerWaalsContact O-SG 3.4Å; L138-C421 HydrophobicContact CD2-CB 3.75Å; C421-E423 PolarHBondContact O-N 2.82Å; C421-E423 VanDerWaalsContact O-N 3.1Å; C421-L424 HydrophobicContact CB-CB 4.23Å; C421-L424 HydrophobicContact CB-CD1 4.21Å; C421-L424 HydrophobicContact CB-CG 4.34Å; C421-L424 PolarHBondContact O-N 2.85Å; C421-D425 PolarHBondContact N-OD2 3.43Å; C421-D425 WeakPolarHBondContact O-CB 3.22Å; C421-D425 PolarHBondContact O-N 3.01Å
422S90.6Very high88Confident63 Ų6348.6 Ų48.644%0.44129%0.293SS..Hα-helixtrans-51.6-37.9-176.326.40000113.6L424 G426S422-L424 PolarHBondContact O-N 3Å; S422-G426 WeakPolarHBondContact O-CA 3.22Å; S422-G426 PolarHBondContact O-N 3.02Å
423E91Very high88.4Confident85 Ų8546.1 Ų46.140%0.39727%0.273SS..Hα-helixtrans-75-7.5-179.2-53.592.6103.800114.2C421C421-E423 PolarHBondContact O-N 2.82Å; C421-E423 VanDerWaalsContact O-N 3.1Å
424L90.4Very high88.7Confident46 Ų4645.7 Ų45.724%0.24127%0.265CS..Hα-helixtrans-124.5-30.1-178.2-60.4179.2000113.5V154 M155 R369 C421 S422V154-L424 HydrophobicContact CG1-CD1 4.19Å; M155-L424 HydrophobicContact CB-CD2 3.93Å; R369-L424 PolarHBondContact NH2-O 2.85Å; C421-L424 HydrophobicContact CB-CB 4.23Å; C421-L424 HydrophobicContact CB-CD1 4.21Å; C421-L424 HydrophobicContact CB-CG 4.34Å; C421-L424 PolarHBondContact O-N 2.85Å; S422-L424 PolarHBondContact O-N 3Å
425D89.1Confident89Confident9 Ų947.2 Ų47.25%0.04827%0.271CS..Hα-helixtrans-107.6-15.8-174.1-58.1-45.1000113.6R369 L417 C421 L431R369-D425 IonicContact CZ-OD1 3.75Å; R369-D425 IonicContact NE-OD1 3.47Å; R369-D425 PolarHBondContact NE-OD1 3.34Å; R369-D425 IonicContact NH2-OD1 3.67Å; R369-D425 PolarHBondContact NH2-OD1 2.99Å; L417-D425 HydrophobicContact CD1-CB 3.89Å; L417-D425 VanDerWaalsContact CD1-CG 3.45Å; C421-D425 PolarHBondContact N-OD2 3.43Å; C421-D425 WeakPolarHBondContact O-CB 3.22Å; C421-D425 PolarHBondContact O-N 3.01Å; D425-L431 WeakPolarHBondContact O-CD1 3.34Å
426G86.9Confident89.2Confident10 Ų1047.4 Ų47.410%0.10327%0.265CS..  trans83.6135.9-174.100000113.2S422S422-G426 WeakPolarHBondContact O-CA 3.22Å; S422-G426 PolarHBondContact O-N 3.02Å
427D84.3Confident89.3Confident61 Ų6146 Ų4633%0.32625%0.253SS..  trans-93-177.5167.187-37.5000111.3N429 S430 L431D427-N429 PolarHBondContact O-N 2.86Å; D427-N429 WeakPolarHBondContact OD1-CB 3.38Å; D427-N429 PolarHBondContact OD1-N 2.92Å; D427-N429 VanDerWaalsContact OD1-N 3.07Å; D427-N429 PolarHBondContact OD2-ND2 2.82Å; D427-S430 PolarHBondContact N-OG 3Å; D427-S430 PolarHBondContact O-N 3.47Å; D427-S430 VanDerWaalsContact OD1-CB 3.32Å; D427-S430 WeakPolarHBondContact OD1-CB 3.47Å; D427-S430 PolarHBondContact OD1-N 2.93Å; D427-S430 PolarHBondContact OD1-OG 2.8Å; D427-L431 WeakPolarHBondContact O-CB 3.43Å; D427-L431 PolarHBondContact O-N 2.86Å
428L78.8Confident89.2Confident90 Ų9049.9 Ų49.947%0.47127%0.268SS..THydrogen-bonded Turntrans-53-27.8178.3-57178.3000114.1C411 S412C411-L428 HydrophobicContact CB-CD2 3.71Å; C411-L428 WeakPolarHBondContact O-CD2 3.23Å; S412-L428 WeakPolarHBondContact OG-CD2 3.37Å
429N81.7Confident88.9Confident125 Ų12551.1 Ų51.167%0.66827%0.268SS*.THydrogen-bonded Turntrans-89.9-42.3-177.9-56.4-77.7000111.6K406 D427K406-N429 PolarHBondContact NZ-O 3.17Å; D427-N429 PolarHBondContact O-N 2.86Å; D427-N429 WeakPolarHBondContact OD1-CB 3.38Å; D427-N429 PolarHBondContact OD1-N 2.92Å; D427-N429 VanDerWaalsContact OD1-N 3.07Å; D427-N429 PolarHBondContact OD2-ND2 2.82Å
430S85.2Confident88.5Confident71 Ų7153.4 Ų53.450%0.49728%0.281SS..THydrogen-bonded Turntrans-97.5-14.8-169.156.10000115.4D427D427-S430 PolarHBondContact N-OG 3Å; D427-S430 PolarHBondContact O-N 3.47Å; D427-S430 VanDerWaalsContact OD1-CB 3.32Å; D427-S430 WeakPolarHBondContact OD1-CB 3.47Å; D427-S430 PolarHBondContact OD1-N 2.93Å; D427-S430 PolarHBondContact OD1-OG 2.8Å
431L85.6Confident88.1Confident7 Ų757.5 Ų57.54%0.03730%0.303CS..  trans-53.8127.6172.3-167.475.6000109.7F373 K406 L414 D425 D427F373-L431 HydrophobicContact CD1-CD1 4.22Å; F373-L431 HydrophobicContact CE1-CD1 4.01Å; K406-L431 PolarHBondContact NZ-O 2.92Å; K406-L431 VanDerWaalsContact NZ-O 3.09Å; L414-L431 HydrophobicContact CD1-CD2 3.69Å; D425-L431 WeakPolarHBondContact O-CD1 3.34Å; D427-L431 WeakPolarHBondContact O-CB 3.43Å; D427-L431 PolarHBondContact O-N 2.86Å
432P87.4Confident87.2Confident56 Ų5661.8 Ų61.836%0.36433%0.333SS..  trans-73.3143.7-179.730.3-34.3000110.5F373 A376 I434F373-P432 HydrophobicContact CD1-CG 4.01Å; F373-P432 HydrophobicContact CE1-CG 4Å; A376-P432 VanDerWaalsContact CB-O 3.29Å; A376-P432 WeakPolarHBondContact CB-O 3.37Å; P432-I434 HydrophobicContact CB-CG1 4.27Å
433I89.7Confident86.4Confident27 Ų2761 Ų6114%0.13833%0.326CS..  trans-106.8121.4162.7-63.2176.3000105.6A376 F378 C402 I405 K406 F435A376-I433 HydrophobicContact CB-CG1 4.35Å; F378-I433 HydrophobicContact CD2-CG2 3.86Å; F378-I433 HydrophobicContact CE2-CG2 3.86Å; C402-I433 HydrophobicContact CB-CD1 4.4Å; I405-I433 HydrophobicContact CB-CD1 3.87Å; I405-I433 HydrophobicContact CD1-CD1 4.26Å; I405-I433 HydrophobicContact CD1-CG2 4.37Å; I405-I433 HydrophobicContact CG2-CD1 3.68Å; K406-I433 HydrophobicContact CD-CD1 4.49Å; K406-I433 HydrophobicContact CG-CD1 3.89Å; I433-F435 HydrophobicContact CG2-CD2 4.43Å; I433-F435 HydrophobicContact CG2-CE1 4.19Å; I433-F435 HydrophobicContact CG2-CE2 3.68Å; I433-F435 HydrophobicContact CG2-CZ 3.54Å
434I91.2Very high85.2Confident68 Ų6863.9 Ų63.935%0.34934%0.343SS..EExtended strand (participates in β ladder)trans-107.4133.5-171.2-55.8175.2000108.3A376 F377 F378 P432A376-I434 PolarHBondContact O-N 2.89Å; F377-I434 HydrophobicContact CD2-CB 3.77Å; F377-I434 HydrophobicContact CD2-CD1 4.22Å; F377-I434 HydrophobicContact CD2-CG2 3.53Å; F377-I434 HydrophobicContact CE2-CB 4.33Å; F377-I434 HydrophobicContact CE2-CG2 3.57Å; F377-I434 HydrophobicContact CG-CB 4.43Å; F377-I434 HydrophobicContact CG-CG2 4.47Å; F378-I434 PolarHBondContact N-O 2.94Å; P432-I434 HydrophobicContact CB-CG1 4.27Å
435F91.6Very high83.7Confident50 Ų5068.8 Ų68.822%0.21936%0.364CS..EExtended strand (participates in β ladder)trans-121.2126.3178.3-64.2-72.9000109.8F378 F380 H398 M401 C402 I433F378-F435 HydrophobicContact CB-CD1 3.73Å; F378-F435 HydrophobicContact CB-CE1 3.94Å; F378-F435 HydrophobicContact CD2-CD1 4.44Å; F378-F435 HydrophobicContact CD2-CE1 4.03Å; F378-F435 HydrophobicContact CG-CD1 4.42Å; F378-F435 HydrophobicContact CG-CE1 4.15Å; F378-F435 CarbonylContact O-C 2.97Å; F378-F435 WeakPolarHBondContact O-CA 3.45Å; F380-F435 AromaticContact CE2-CD1 3.77Å; F380-F435 HydrophobicContact CE2-CD1 3.77Å; F380-F435 HydrophobicContact CE2-CE1 4.19Å; H398-F435 HydrophobicContact CB-CD2 3.68Å; H398-F435 HydrophobicContact CB-CE2 3.77Å; H398-F435 HydrophobicContact CB-CG 4.08Å; H398-F435 HydrophobicContact CB-CZ 4.26Å; H398-F435 AromaticContact CG-CD2 3.89Å; H398-F435 AromaticContact CG-CG 3.76Å; H398-F435 AromaticContact ND1-CG 3.82Å; H398-F435 WeakPolarHBondContact O-CE2 3.3Å; M401-F435 HydrophobicContact CB-CE1 4.36Å; M401-F435 HydrophobicContact CB-CZ 4.13Å; M401-F435 HydrophobicContact CE-CE1 4.06Å; C402-F435 HydrophobicContact CB-CE2 4.22Å; C402-F435 HydrophobicContact CB-CZ 4.41Å; I433-F435 HydrophobicContact CG2-CD2 4.43Å; I433-F435 HydrophobicContact CG2-CE1 4.19Å; I433-F435 HydrophobicContact CG2-CE2 3.68Å; I433-F435 HydrophobicContact CG2-CZ 3.54Å
436E91.8Very high81.8Confident78 Ų7871.8 Ų71.836%0.36440%0.398SS..EExtended strand (participates in β ladder)trans-114.4109.7176.9-169.3-162.9-170.600110.1F377 F378 C379 F380 R438F377-E436 HydrophobicContact CE1-CB 3.89Å; F377-E436 HydrophobicContact CZ-CB 3.76Å; F377-E436 HydrophobicContact CZ-CG 4.34Å; F378-E436 PolarHBondContact O-N 2.89Å; C379-E436 WeakPolarHBondContact CA-O 3.18Å; F380-E436 PolarHBondContact N-O 2.82Å; E436-R438 VanDerWaalsContact CD-CD 3.45Å; E436-R438 HydrophobicContact CG-CG 4.02Å; E436-R438 VanDerWaalsContact OE1-CD 3.28Å; E436-R438 WeakPolarHBondContact OE1-CD 3.4Å; E436-R438 WeakPolarHBondContact OE1-CG 3.49Å; E436-R438 WeakPolarHBondContact OE2-CD 3.48Å
437D89.3Confident79.5Confident42 Ų4279.4 Ų79.423%0.22543%0.428CS..EExtended strand (participates in β ladder)trans-88.9105.9172.2-77.6-19.4000110.2H382 H394 H398 Y439H382-D437 IonicContact CD2-OD1 3.69Å; H382-D437 IonicContact CE1-OD1 3.54Å; H382-D437 VanDerWaalsContact NE2-CG 3.29Å; H382-D437 IonicContact NE2-OD1 3.87Å; H382-D437 PolarHBondContact NE2-OD1 2.96Å; H382-D437 IonicContact NE2-OD2 3.59Å; H394-D437 IonicContact ND1-OD2 2.92Å; H394-D437 PolarHBondContact ND1-OD2 2.91Å; H398-D437 IonicContact CE1-OD1 3.7Å; H398-D437 PolarHBondContact CE1-OD1 3.05Å; H398-D437 IonicContact CE1-OD2 3.2Å; H398-D437 IonicContact NE2-OD1 3.34Å; D437-Y439 HydrophobicContact CB-CD2 4.34Å; D437-Y439 HydrophobicContact CB-CE2 3.45Å; D437-Y439 VanDerWaalsContact CB-CE2 3.45Å; D437-Y439 WeakPolarHBondContact O-CD2 3.42Å; D437-Y439 WeakPolarHBondContact O-CE2 3.18Å; D437-Y439 PolarHBondContact OD2-OH 2.87Å; D437-Y439 VanDerWaalsContact OD2-OH 3.12Å
438R90.2Very high77.3Confident87 Ų8783.7 Ų83.733%0.32845%0.45SS..EExtended strand (participates in β ladder)trans-97.5111.3177.8-77.9176.147-109.1-9.9110.6C379 F380 E381 H382 E436C379-R438 PolarHBondContact SG-NH1 3.15Å; F380-R438 PolarHBondContact O-N 3.06Å; E381-R438 WeakPolarHBondContact CA-O 3.41Å; E381-R438 IonicContact OE1-CZ 2.73Å; E381-R438 IonicContact OE1-NH1 3.46Å; E381-R438 PolarHBondContact OE1-NH1 2.96Å; E381-R438 IonicContact OE1-NH2 2.76Å; E381-R438 PolarHBondContact OE1-NH2 3.03Å; H382-R438 PolarHBondContact N-O 3.17Å; E436-R438 VanDerWaalsContact CD-CD 3.45Å; E436-R438 HydrophobicContact CG-CG 4.02Å; E436-R438 VanDerWaalsContact OE1-CD 3.28Å; E436-R438 WeakPolarHBondContact OE1-CD 3.4Å; E436-R438 WeakPolarHBondContact OE1-CG 3.49Å; E436-R438 WeakPolarHBondContact OE2-CD 3.48Å
439Y88.7Confident74.9Confident58 Ų5883.8 Ų83.823%0.22746%0.464CS..EExtended strand (participates in β ladder)trans-93.7117.7-177.9-63.9-88.6000111.2H382 A386 A387 Q391 H394 D437H382-Y439 HydrophobicContact CB-CD1 3.53Å; H382-Y439 HydrophobicContact CB-CE1 3.55Å; H382-Y439 HydrophobicContact CB-CG 4.34Å; H382-Y439 AromaticContact CD2-CZ 3.96Å; H382-Y439 AromaticContact CG-CE1 3.9Å; H382-Y439 CarbonylContact O-C 3.53Å; H382-Y439 WeakPolarHBondContact O-CA 3.5Å; A386-Y439 HydrophobicContact CB-CD1 4.17Å; A386-Y439 HydrophobicContact CB-CE1 3.91Å; A387-Y439 HydrophobicContact CB-CD1 3.68Å; A387-Y439 HydrophobicContact CB-CD2 4.32Å; A387-Y439 HydrophobicContact CB-CE1 4.27Å; A387-Y439 HydrophobicContact CB-CG 3.74Å; Q391-Y439 PolarHBondContact NE2-OH 3.11Å; Q391-Y439 VanDerWaalsContact NE2-OH 3.17Å; H394-Y439 PolarHBondContact CE1-OH 2.9Å; H394-Y439 PolarHBondContact ND1-OH 2.86Å; D437-Y439 HydrophobicContact CB-CD2 4.34Å; D437-Y439 HydrophobicContact CB-CE2 3.45Å; D437-Y439 VanDerWaalsContact CB-CE2 3.45Å; D437-Y439 WeakPolarHBondContact O-CD2 3.42Å; D437-Y439 WeakPolarHBondContact O-CE2 3.18Å; D437-Y439 PolarHBondContact OD2-OH 2.87Å; D437-Y439 VanDerWaalsContact OD2-OH 3.12Å
440L88.4Confident72.8Confident51 Ų5184.2 Ų84.227%0.26747%0.465SS..EExtended strand (participates in β ladder)trans-125.2147.1-167.5-57178.9000112.9E381 H382 R384 S442E381-L440 HydrophobicContact CB-CD1 4.17Å; E381-L440 VanDerWaalsContact CD-CD1 3.47Å; E381-L440 HydrophobicContact CG-CD1 3.92Å; H382-L440 PolarHBondContact O-N 2.98Å; R384-L440 PolarHBondContact N-O 2.99Å; L440-S442 PolarHBondContact O-N 3.23Å
441D84.7Confident70.3Confident120 Ų12085.9 Ų85.964%0.64248%0.476SS*.SBendtrans-62.4-21.5176-74.5-55.3000113.6R384R384-D441 WeakPolarHBondContact CD-OD1 3.31Å; R384-D441 IonicContact CZ-OD1 2.66Å; R384-D441 IonicContact NE-OD1 3.49Å; R384-D441 VanDerWaalsContact NH1-CG 3.34Å; R384-D441 IonicContact NH1-OD1 2.71Å; R384-D441 PolarHBondContact NH1-OD1 3.19Å; R384-D441 IonicContact NH1-OD2 3.54Å; R384-D441 PolarHBondContact NH1-OD2 3.15Å
442S75.8Confident67.8Low93 Ų9393.2 Ų93.265%0.6551%0.511SS*.SBendtrans-148.7112.7169.2620000109.7L440L440-S442 PolarHBondContact O-N 3.23Å
443V73.4Confident65.2Low47 Ų4797.8 Ų97.829%0.28553%0.532SS..  trans-73138.2167-177.30000108.6E381 H382 P383 E445E381-V443 HydrophobicContact CB-CG1 4.29Å; H382-V443 WeakPolarHBondContact O-CG2 3.41Å; P383-V443 HydrophobicContact CB-CG2 4.44Å; P383-V443 HydrophobicContact CG-CG2 3.99Å; P383-V443 VanDerWaalsContact N-CG2 3.26Å; V443-E445 PolarHBondContact O-N 3.09Å
444I66Low62.5Low145 Ų145102.8 Ų102.874%0.74456%0.559SS**  trans-73.883165.9-56.3179.9000107.1G446I444-G446 PolarHBondContact O-N 3.1Å
445E57.6Low59.8Low149 Ų149104.6 Ų104.670%0.69658%0.577SS**  trans-55.2111.6176.4-172.7-175.3-112.600108.6V443 K447V443-E445 PolarHBondContact O-N 3.09Å; E445-K447 PolarHBondContact O-N 3.42Å
446G50.2Low57Low73 Ų73109.9 Ų109.975%0.75361%0.608SS**  trans-70.571.1-165.700000113.4I444 L448I444-G446 PolarHBondContact O-N 3.1Å; G446-L448 PolarHBondContact O-N 3.37Å
447K37.8Very low54.3Low170 Ų170113.5 Ų113.574%0.73963%0.628SS**  trans-65.284.6171.4-79.9-175.9177.9172.40110.2E445 A449E445-K447 PolarHBondContact O-N 3.42Å; K447-A449 PolarHBondContact O-N 2.77Å
448L37.8Very low51.5Low150 Ų150117.3 Ų117.379%0.78566%0.655SS**  trans-58.495.7151.8-143.786000106.3G446 I450G446-L448 PolarHBondContact O-N 3.37Å; L448-I450 PolarHBondContact O-N 2.83Å
449A29.9Very low48.6Very low92 Ų92120 Ų12076%0.7668%0.676SS**  trans-72.973-176.300000110.2K447 S451K447-A449 PolarHBondContact O-N 2.77Å; A449-S451 VanDerWaalsContact C-N 3.25Å; A449-S451 PolarHBondContact O-N 3.49Å
450I37.3Very low45.8Very low135 Ų135122.3 Ų122.369%0.69270%0.697SS**  trans-65.894.9161.4-58.5177.8000105.5L448 Q452L448-I450 PolarHBondContact O-N 2.83Å; I450-Q452 VanDerWaalsContact C-N 3.31Å; I450-Q452 PolarHBondContact O-N 2.84Å
451S32.5Very low42.9Very low106 Ų106127.5 Ų127.574%0.74172%0.72SS**  trans-64.493.3172.952.80000108.9A449 D453A449-S451 VanDerWaalsContact C-N 3.25Å; A449-S451 PolarHBondContact O-N 3.49Å; S451-D453 PolarHBondContact O-N 3.43Å
452Q32.8Very low40.3Very low161 Ų161128.5 Ų128.575%0.75272%0.72SS**  trans-68.981.2161.8-75.7-169.3-33.800108.4I450 N454I450-Q452 VanDerWaalsContact C-N 3.31Å; I450-Q452 PolarHBondContact O-N 2.84Å; Q452-N454 PolarHBondContact O-N 2.68Å
453D33.2Very low37.9Very low152 Ų152130.4 Ų130.481%0.81372%0.723SS**  trans-72.374.3168.9-165.824.6000108.7S451 S455S451-D453 PolarHBondContact O-N 3.43Å; D453-S455 PolarHBondContact O-N 2.76Å
454N32.8Very low35.9Very low132 Ų132136.5 Ų136.571%0.70675%0.753SS**  trans-75104173.2-87.4-30.5000108Q452 D456Q452-N454 PolarHBondContact O-N 2.68Å; N454-D456 PolarHBondContact O-N 2.99Å; N454-D456 VanDerWaalsContact O-N 3.1Å
455S34.1Very low34Very low105 Ų105133.6 Ų133.673%0.73475%0.751SS**  trans-61.7107.5179.857.70000111.9D453D453-S455 PolarHBondContact O-N 2.76Å
456D32Very low32.5Very low162 Ų162131.5 Ų131.587%0.86675%0.753SS**PPolyproline II helixtrans-72.4138.5159.9-89.2-38.3000110.2N454N454-D456 PolarHBondContact O-N 2.99Å; N454-D456 VanDerWaalsContact O-N 3.1Å
457I35.5Very low31.4Very low153 Ų153134.3 Ų134.379%0.78576%0.755SS**PPolyproline II helixtrans-80.1131-172.4-62.7171.2000109.4
458P31.4Very low30.8Very low123 Ų123131.6 Ų131.680%0.79976%0.758SS**PPolyproline II helixtrans-76.5136176.931.3-34.1000111
459D28.8Very low30.3Very low142 Ų142129 Ų12976%0.75975%0.752SS**  trans-130.6125.3168-143.4-29000111.9
460T29.5Very low30.2Very low108 Ų108129 Ų12966%0.66375%0.747SS**  trans40.9126.4161.331.90000123.7
461E27.5Very low29.8Very low160 Ų160128.9 Ų128.975%0.74875%0.747SS**  trans67.1132.4142.3-66.6-171.8140.100119.6
462H30.3Very low29.7Very low140 Ų140130.2 Ų130.265%0.64875%0.746SS**  cis-155.9158.624.1-90.6-43.7000113.9
463N26.4Very low29.4Very low133 Ų133126.6 Ų126.671%0.71174%0.738SS**  trans17.4123.1143.4-53.4-59.3000120.9
464L31.3Very low29.3Very low175 Ų175126.9 Ų126.992%0.91673%0.734SS**  -174.9169.4100.4-97.2169.5000113.2
465A26.2Very low29Very low84 Ų84126.1 Ų126.169%0.69473%0.73SS**  trans-60.8159.8-174.100000114.2
466S26.3Very low28.8Very low106 Ų106130.7 Ų130.774%0.74173%0.732SS**  cis-162.8162.947.2-52.90000116.1
467T25.3Very low28.5Very low132 Ų132131 Ų13181%0.8173%0.729SS**  trans-33.4152.6149.442.60000114.6
468S26.6Very low28Very low113 Ų113130 Ų13079%0.7973%0.73SS**  cis-162.4-174.314.252.60000109.5
469S26.5Very low27.8Very low96 Ų96130.5 Ų130.567%0.67173%0.73SS**  cis-160.8136.614.549.60000113.2
470S28.6Very low27.9Very low92 Ų92129.6 Ų129.664%0.64373%0.733SS**  trans44.8126138.171.50000123.9
471N29.2Very low27.7Very low131 Ų131130 Ų13070%0.70174%0.74SS**  54.7150.2115.3-61.156.4000120.2
472D28.6Very low27.8Very low135 Ų135128.3 Ų128.372%0.72275%0.745SS**  cis-167.4175-6.8-97.2-13.3000108.3
473C28Very low27.6Very low84 Ų84124.7 Ų124.757%0.56875%0.746SS**  cis-179.3167.9-42.8-160.90000108.4
474H30.3Very low27.7Very low158 Ų158124.8 Ų124.873%0.73175%0.752SS**  trans65.8141.9161.7-64.1-55.6000119.2
475D26.9Very low27.5Very low116 Ų116128 Ų12862%0.6275%0.751SS**  cis-167.3-176.3-17.2-139.5-56.7000111.1
476Y29.1Very low27.5Very low202 Ų202130 Ų13079%0.79276%0.755SS**  trans102.4113.7156.1-60-65.6000122.1
477Q26Very low27.4Very low169 Ų169132.8 Ų132.879%0.7976%0.761SS**  trans81.680.8137.1-73.7-174.4-34.500122.3
478T25.6Very low27.3Very low132 Ų132133.2 Ų133.281%0.8175%0.754SS**  44111.2111.1-39.10000120.3
479T27Very low27.2Very low132 Ų132134.2 Ų134.281%0.8176%0.755SS**  trans-130.4148.9146.149.20000110.2
480P30.3Very low27.1Very low124 Ų124137.1 Ų137.181%0.80576%0.755SS**PPolyproline II helixtrans-86.1143.7-174.933.2-34.5000113.1
481S25.9Very low26.9Very low116 Ų116138.3 Ų138.381%0.81176%0.763SS**PPolyproline II helixtrans-69.6134.3170.654.50000111.9G483S481-G483 PolarHBondContact O-N 3.35Å
482S28.6Very low26.7Very low124 Ų124137.8 Ų137.887%0.86777%0.77SS**PPolyproline II helixtrans-61.9130.4174.7-1700000111.5
483G27.1Very low26.6Very low65 Ų65136.9 Ų136.967%0.6778%0.775SS**PPolyproline II helixtrans-89.5118.8-171.700000113.6S481 R485S481-G483 PolarHBondContact O-N 3.35Å; G483-R485 PolarHBondContact O-N 2.78Å
484V28.6Very low26.7Very low135 Ų135142.2 Ų142.282%0.81879%0.788SS**PPolyproline II helixtrans-61.9118.7165.2176.70000109.1T486V484-T486 PolarHBondContact O-N 2.93Å
485R26.8Very low26.6Very low242 Ų242143.9 Ų143.991%0.91380%0.796SS**  trans-80.594.9175.1-87.6-168.9-79.6177.8-5.4111.1G483 L487G483-R485 PolarHBondContact O-N 2.78Å; R485-L487 PolarHBondContact O-N 3.47Å
486T26Very low26.8Very low126 Ų126143.4 Ų143.477%0.77380%0.802SS**  trans-76116.9170.4-39.10000110.6V484V484-T486 PolarHBondContact O-N 2.93Å
487L24.5Very low26.7Very low165 Ų165143.8 Ų143.886%0.86481%0.808SS**  trans-86.1108.2168.7-85.8166000109.8R485 V489R485-L487 PolarHBondContact O-N 3.47Å; L487-V489 PolarHBondContact O-N 2.83Å
488E23.7Very low27.3Very low141 Ų141144.2 Ų144.266%0.65982%0.815SS**  trans-85107.4178.9-168.1-157.8-149.400111K490E488-K490 IonicContact OE1-NZ 2.75Å; E488-K490 PolarHBondContact OE1-NZ 2.74Å; E488-K490 IonicContact OE2-NZ 2.6Å; E488-K490 PolarHBondContact OE2-NZ 3.5Å
489V24.5Very low27.4Very low133 Ų133141.3 Ų141.381%0.80681%0.812SS**  trans-103.1107.9171.7-179.10000109.4L487 S491L487-V489 PolarHBondContact O-N 2.83Å; V489-S491 PolarHBondContact O-N 2.96Å
490K24.4Very low27.5Very low157 Ų157143.8 Ų143.868%0.68381%0.814SS**  trans-80.3112.5176.9-73.3-175.3162.680.90111.3E488E488-K490 IonicContact OE1-NZ 2.75Å; E488-K490 PolarHBondContact OE1-NZ 2.74Å; E488-K490 IonicContact OE2-NZ 2.6Å; E488-K490 PolarHBondContact OE2-NZ 3.5Å
491S23.6Very low27.2Very low117 Ų117146.5 Ų146.582%0.81881%0.814SS**  trans-87.7131.5165.850.50000110.7V489V489-S491 PolarHBondContact O-N 2.96Å
492S24.6Very low27.2Very low121 Ų121147.9 Ų147.985%0.84681%0.81SS**  trans-125.982.5-175.666.30000112.9
493S26.3Very low27Very low116 Ų116146.6 Ų146.681%0.81180%0.797SS**  trans-151.4139.2160.948.90000110
494K31.1Very low26.9Very low195 Ų195149.1 Ų149.185%0.84880%0.8SS**  trans-76.5134.9171.7-60175179.4178.20108.7
495E27.4Very low26.6Very low194 Ų194152 Ų15291%0.90780%0.801SS**  -172.7168.3103.7-99.6165.3-156.900110.1
496S32.2Very low26.7Very low105 Ų105147 Ų14773%0.73479%0.791SS**  trans-125.5114.6-155.255.40000113.8
497F26.8Very low26.6Very low211 Ų211143.4 Ų143.493%0.92578%0.778SS**  trans-141.3146.7158.6-90.5-80.9000109.9G499F497-G499 PolarHBondContact O-N 2.85Å
498N38.9Very low26.7Very low177 Ų177141.5 Ų141.595%0.94778%0.776SS**  trans-72.4119.2178-76.9-7.9000110.2
499G27.6Very low27.1Very low71 Ų71144 Ų14473%0.73278%0.78SS**  trans-129.6130.8163.400000108.6F497 K501F497-G499 PolarHBondContact O-N 2.85Å; G499-K501 PolarHBondContact O-N 2.9Å
500E28.3Very low27.1Very low185 Ų185144.3 Ų144.386%0.86478%0.782SS**  trans-72.2126.3-176.6-173.1165.2-167.300111I502E500-I502 PolarHBondContact O-N 2.83Å
501K24.6Very low27.2Very low181 Ų181142.4 Ų142.479%0.78778%0.775SS**  trans-85.776.4-173.2-168-172.9173.6-176.20111.3G499 T503G499-K501 PolarHBondContact O-N 2.9Å; K501-T503 PolarHBondContact O-N 2.83Å; K501-T503 VanDerWaalsContact O-N 3.11Å; K501-T503 PolarHBondContact O-OG1 2.75Å
502I26.1Very low27.3Very low144 Ų144143.3 Ų143.374%0.73877%0.77SS**  trans-51.8119.6169.7-57.1177.5000108.4E500 V504E500-I502 PolarHBondContact O-N 2.83Å; I502-V504 HydrophobicContact CG2-CG2 4.35Å
503T23.8Very low27.5Very low98 Ų98146.5 Ų146.560%0.60177%0.772SS**  trans-121.489.5-175.9-56.20000108.4K501 K505K501-T503 PolarHBondContact O-N 2.83Å; K501-T503 VanDerWaalsContact O-N 3.11Å; K501-T503 PolarHBondContact O-OG1 2.75Å; T503-K505 PolarHBondContact O-N 2.89Å
504V24.6Very low27.6Very low118 Ų118145 Ų14572%0.71575%0.752SS**  trans-65.3116.4179.2-177.20000109.1I502 I506I502-V504 HydrophobicContact CG2-CG2 4.35Å; V504-I506 HydrophobicContact CG1-CG1 4.18Å; V504-I506 PolarHBondContact O-N 2.84Å
505K22.1Very low27.3Very low194 Ų194140.2 Ų140.284%0.84375%0.749SS**  trans-90.694.1168.7-73.2-170.3177.5-177.40109T503 G507T503-K505 PolarHBondContact O-N 2.89Å; K505-G507 PolarHBondContact O-N 3.13Å
506I29.4Very low27.3Very low139 Ų139136.3 Ų136.371%0.71373%0.731SS**PPolyproline II helixtrans-64128.2162.7-56.5176.6000106.8V504V504-I506 HydrophobicContact CG1-CG1 4.18Å; V504-I506 PolarHBondContact O-N 2.84Å
507G25.1Very low27.1Very low49 Ų49137.5 Ų137.551%0.50573%0.728SS.*PPolyproline II helixtrans-70.616317600000111.7K505 W509K505-G507 PolarHBondContact O-N 3.13Å; G507-W509 PolarHBondContact O-N 2.84Å
508P25.3Very low27.1Very low125 Ų125135.1 Ų135.181%0.81272%0.718SS**PPolyproline II helixtrans-58.6139.5168.6-18.731.9000110.1T510P508-T510 PolarHBondContact O-N 2.57Å
509W32.6Very low26.8Very low194 Ų194131.3 Ų131.374%0.73570%0.7SS**PPolyproline II helixtrans-58.2131.8167.1-72.770.1000108.4G507G507-W509 PolarHBondContact O-N 2.84Å
510T25.1Very low26.7Very low139 Ų139134.2 Ų134.285%0.85370%0.699SS**  trans-102.886.8165.5-53.60000106.2P508 L512P508-T510 PolarHBondContact O-N 2.57Å; T510-L512 PolarHBondContact O-N 3.33Å
511E25.9Very low26.8Very low117 Ų117132.8 Ų132.855%0.54770%0.698SS.*  trans-51136171.4-74.1135.7-145.700109.6Q513E511-Q513 PolarHBondContact O-N 3.48Å
512L25.2Very low27.3Very low136 Ų136128.9 Ų128.971%0.71269%0.685SS**SBendtrans-8361.4179.2-153162.6000109T510 E514T510-L512 PolarHBondContact O-N 3.33Å; L512-E514 VanDerWaalsContact C-N 3.34Å; L512-E514 PolarHBondContact O-N 2.96Å
513Q28.2Very low27.3Very low189 Ų189129.3 Ų129.388%0.88369%0.688SS**SBendtrans44.651.5-174.8-159.5171.2-3.500113.8E511 A515E511-Q513 PolarHBondContact O-N 3.48Å; Q513-A515 PolarHBondContact O-N 2.89Å
514E29.9Very low27.4Very low85 Ų85129.5 Ų129.540%0.39769%0.69SS.*  trans-70.8112.7172.7-59.3-160.880.500109.4R146 L512 E516R146-E514 IonicContact CZ-OE1 3.65Å; R146-E514 IonicContact NH1-OE1 3.66Å; R146-E514 PolarHBondContact NH1-OE1 3.33Å; R146-E514 IonicContact NH2-OE1 2.77Å; R146-E514 PolarHBondContact NH2-OE1 2.8Å; L512-E514 VanDerWaalsContact C-N 3.34Å; L512-E514 PolarHBondContact O-N 2.96Å; E514-E516 HydrophobicContact CB-CG 4.34Å; E514-E516 PolarHBondContact O-N 3.12Å
515A25.1Very low27.4Very low94 Ų94131.1 Ų131.178%0.77770%0.695SS**  trans-76.870.5174.900000110.2Q513 L517Q513-A515 PolarHBondContact O-N 2.89Å; A515-L517 PolarHBondContact O-N 3.46Å
516E27Very low27.9Very low112 Ų112129.6 Ų129.652%0.52369%0.689SS.*  trans-66.993.6175.7-68.2-163.6122.400111E514 F518E514-E516 HydrophobicContact CB-CG 4.34Å; E514-E516 PolarHBondContact O-N 3.12Å; E516-F518 HydrophobicContact CB-CD2 3.94Å; E516-F518 HydrophobicContact CB-CE2 3.99Å; E516-F518 PolarHBondContact O-N 3.24Å; E516-F518 VanDerWaalsContact OE2-CE2 3.28Å; E516-F518 WeakPolarHBondContact OE2-CE2 3.29Å
517L28Very low27.8Very low130 Ų130131.6 Ų131.668%0.68170%0.695SS**  trans-72.478.2166.4-71.7172.2000109.7A515 V519A515-L517 PolarHBondContact O-N 3.46Å; L517-V519 PolarHBondContact O-N 2.74Å
518F25.4Very low28Very low161 Ų161133.8 Ų133.871%0.70671%0.708SS**  trans-63.891.6170.7-89.4-77.1000111.4E516 D520E516-F518 HydrophobicContact CB-CD2 3.94Å; E516-F518 HydrophobicContact CB-CE2 3.99Å; E516-F518 PolarHBondContact O-N 3.24Å; E516-F518 VanDerWaalsContact OE2-CE2 3.28Å; E516-F518 WeakPolarHBondContact OE2-CE2 3.29Å; F518-D520 VanDerWaalsContact C-N 3.31Å; F518-D520 PolarHBondContact O-N 3Å
519V34.5Very low28Very low96 Ų96136 Ų13658%0.58271%0.712SS**  trans-92.160.8173.8-169.60000110.5L517 L522L517-V519 PolarHBondContact O-N 2.74Å; V519-L522 HydrophobicContact CG1-CB 4.36Å; V519-L522 HydrophobicContact CG1-CD1 3.92Å; V519-L522 HydrophobicContact CG1-CG 4.32Å
520D25Very low27.6Very low132 Ų132133.7 Ų133.771%0.70672%0.715SS**  trans-115.521-177.2-158.325.2000113.1F518F518-D520 VanDerWaalsContact C-N 3.31Å; F518-D520 PolarHBondContact O-N 3Å
521N30.2Very low27.7Very low156 Ų156132.5 Ų132.583%0.83471%0.712SS**SBendtrans-146.435.1177.8-83-83.4000113.2
522L34Very low27.7Very low99 Ų99134.2 Ų134.252%0.51873%0.725SS.*  trans-117.261.6175.3-68.3-175.5000112.8V519V519-L522 HydrophobicContact CG1-CB 4.36Å; V519-L522 HydrophobicContact CG1-CD1 3.92Å; V519-L522 HydrophobicContact CG1-CG 4.32Å
523L25.9Very low27.7Very low152 Ų152135.6 Ų135.680%0.79673%0.733SS**  trans-96.7123153.6-83.6169.7000108.5D525L523-D525 PolarHBondContact O-N 2.77Å
524P26.4Very low27.6Very low102 Ų102134.8 Ų134.866%0.66273%0.727SS**  trans-67.5120.3165.1-17.331.4000109.6F526P524-F526 PolarHBondContact O-N 3.14Å; P524-F526 VanDerWaalsContact O-N 3.13Å
525D25.5Very low27.5Very low153 Ų153136.2 Ų136.282%0.81874%0.743SS**  trans-64.6111.8171.1-94.3-42.7000109.8L523 E527L523-D525 PolarHBondContact O-N 2.77Å; D525-E527 PolarHBondContact O-N 2.86Å
526F32.6Very low27.4Very low162 Ų162140.3 Ų140.371%0.71174%0.744SS**  trans-77.570.3170-80.1-88.6000110.2H235 P524 A528H235-F526 AromaticContact CD2-CE2 3.95Å; H235-F526 AromaticContact NE2-CD2 3.9Å; H235-F526 AromaticContact NE2-CE2 3.62Å; P524-F526 PolarHBondContact O-N 3.14Å; P524-F526 VanDerWaalsContact O-N 3.13Å; F526-A528 PolarHBondContact O-N 3.44Å
527E27Very low27.2Very low181 Ų181139.6 Ų139.685%0.84675%0.751SS**  trans-65.8114.1169.9-76.1-158129.300110.6D525 L529D525-E527 PolarHBondContact O-N 2.86Å; E527-L529 PolarHBondContact O-N 3.14Å
528A28.3Very low27Very low94 Ų94140.1 Ų140.178%0.77775%0.753SS**  trans-68.3120.6173.400000110.3F526 D530F526-A528 PolarHBondContact O-N 3.44Å; A528-D530 PolarHBondContact O-N 2.94Å
529L26Very low26.8Very low171 Ų171138.8 Ų138.890%0.89575%0.753SS**  trans-82.383.4-171.1-143.4158.8000111.3E527 S531E527-L529 PolarHBondContact O-N 3.14Å; L529-S531 PolarHBondContact O-N 2.72Å; L529-S531 VanDerWaalsContact O-N 3.09Å
530D25.1Very low26.2Very low147 Ų147141.6 Ų141.679%0.78676%0.763SS**  trans-60.5105.4-175.2-126.2-3.9000112.2A528 N532A528-D530 PolarHBondContact O-N 2.94Å; D530-N532 PolarHBondContact O-N 3.36Å
531S27.4Very low26.4Very low114 Ų114140.3 Ų140.380%0.79776%0.762SS**  trans-79.2106.2177.650.30000110.7L529 D533L529-S531 PolarHBondContact O-N 2.72Å; L529-S531 VanDerWaalsContact O-N 3.09Å; S531-D533 PolarHBondContact O-N 2.93Å; S531-D533 VanDerWaalsContact O-N 3.15Å
532N24.6Very low26Very low153 Ų153139.5 Ų139.582%0.81876%0.757SS**  trans-67110.6175.1-94.1-93.2000111D530D530-N532 PolarHBondContact O-N 3.36Å
533D26.5Very low25.4Very low165 Ų165140.8 Ų140.888%0.88276%0.76SS**  trans-146.8147.4142.3-134.9-27.5000112.4S531S531-D533 PolarHBondContact O-N 2.93Å; S531-D533 VanDerWaalsContact O-N 3.15Å
534K25.2Very low25.5Very low172 Ų172141.8 Ų141.875%0.74875%0.754SS**  trans-143.2122.6-162-159.4171.7-161.8157.60112.9
535P28.5Very low25.4Very low115 Ų115143.5 Ų143.575%0.74776%0.757SS**  -135141.912336-23.4000110.7
536K22.4Very low25.4Very low180 Ų180139.8 Ų139.878%0.78375%0.747SS**  48.8128.374.3-65.4-176.8179.7177.90112.7
537S23.2Very low25Very low96 Ų96139.4 Ų139.467%0.67175%0.752SS**  cis-178.3178.7-2.4450000109.6
538I22.6Very low25Very low142 Ų142138.6 Ų138.673%0.72875%0.748SS**  trans88.6115.6153.5-75.8162.7000118.4
539D20.9Very low24.7Very low132 Ų132139.5 Ų139.571%0.70674%0.737SS**  trans52.6129.3143.7-46.5-9.9000120.7
540I24Very low24.7Very low156 Ų156137.5 Ų137.580%0.873%0.731SS**  60.8129.252.2-62177.6000110.3
541P27.9Very low24.7Very low104 Ų104137.9 Ų137.968%0.67573%0.726SS**  cis-145.3-176.33425.81.7000118.4
542L22.6Very low24.5Very low139 Ų139136.9 Ų136.973%0.72872%0.718SS**  trans47.3120.6140.8-85.162.7000119.9
543E21.7Very low24.4Very low127 Ų127137 Ų13759%0.59371%0.714SS**  125.6161.290.6-97-178.7171.900108.8
544R27.7Very low24.2Very low173 Ų173133.3 Ų133.365%0.65370%0.7SS**  cis-155.8150.50.1-132.7-168.2-171.682.632.7109.2
545D24Very low24.1Very low138 Ų138129.9 Ų129.974%0.73869%0.694SS**  trans52.9156.5142.1-59.9-10.8000121
546A24.4Very low23.8Very low74 Ų74132.3 Ų132.361%0.61270%0.695SS**  cis-156.8147.84.700000113.1
547L26.1Very low23.8Very low155 Ų155132.3 Ų132.381%0.81270%0.698SS**  trans65156.7143.7-59.3166.7000118.2
548Q25Very low23.8Very low164 Ų164133.1 Ų133.177%0.76670%0.704SS**  cis-142.1158.713.8-157.4164.24.600114.4
549E23.6Very low24Very low113 Ų113134 Ų13453%0.52871%0.709SS.*  trans-37.2155.9174.6-55.1172.898.100116.7K551E549-K551 IonicContact OE1-NZ 2.66Å; E549-K551 PolarHBondContact OE1-NZ 2.79Å
550T25.8Very low24.1Very low128 Ų128134.8 Ų134.879%0.78572%0.719SS**  cis-137.9127.443.244.60000113.9
551K24.8Very low24.3Very low155 Ų155136.1 Ų136.167%0.67472%0.719SS**  55.6132.183.9-74-150.6173.699.40114.6E549E549-K551 IonicContact OE1-NZ 2.66Å; E549-K551 PolarHBondContact OE1-NZ 2.79Å
552C22.8Very low24.1Very low93 Ų93140.3 Ų140.363%0.62873%0.727SS**  cis-172.4166.6-11.9-106.80000106.3
553H23.2Very low24.2Very low157 Ų157143.9 Ų143.973%0.72773%0.73SS**  cis-132.6166.94.6-79.7-79.2000108
554S22.1Very low24.3Very low86 Ų86142.9 Ų142.960%0.60174%0.738SS**  cis84.915419.398.50000117.7
555T23.1Very low24.1Very low101 Ų101142.3 Ų142.362%0.6275%0.747SS**  trans79.8120.3156.2-53.20000117.9
556E22.1Very low24.2Very low166 Ų166143.3 Ų143.378%0.77675%0.752SS**  cis-163-166.9-12.4-127.1122.2-95.300111.4
557E22.9Very low24.4Very low180 Ų180145.6 Ų145.684%0.84176%0.761SS**  trans-66.8161.8-178.1-52.3179.2140.200114.9
558S22.3Very low24.3Very low112 Ų112142.7 Ų142.778%0.78376%0.759SS**  171178.581.348.50000113.8
559L26.4Very low24.6Very low162 Ų162141.4 Ų141.485%0.84877%0.765SS**  trans-51.2143.3-170.9-68.580.7000116.7
560T24.1Very low24.7Very low148 Ų148141.8 Ų141.891%0.90878%0.78SS**  -166.7170.5126.79.40000114.1
561K28Very low24.7Very low183 Ų183142.1 Ų142.180%0.79678%0.782SS**  trans-72.9152.7176.3-58.2168.2179173.90112
562F23.6Very low24.7Very low192 Ų192144.9 Ų144.984%0.84279%0.794SS**  166.4115.7129.9-88.1-62.5000108.1
563R23.8Very low24.7Very low214 Ų214147.9 Ų147.981%0.80880%0.799SS**  70.9117.887.8-167-179.9-170.4174.55.4113.9
564S24.2Very low24.6Very low107 Ų107151.2 Ų151.275%0.74881%0.807SS**  trans-62.1152.3173.847.80000113.6
565N24.2Very low24.6Very low160 Ų160154.2 Ų154.286%0.85681%0.811SS**  trans-137.6134.2165.6-80.9-45.3000110.5
566L25.8Very low24.6Very low160 Ų160156.3 Ų156.384%0.83882%0.823SS**  trans-103.8143.8169.3-177.872.2000108.1
567P28.2Very low24.6Very low122 Ų122152.7 Ų152.779%0.79282%0.821SS**  trans-73.5145.6176.8-14.830.4000112.5
568A24.2Very low24.8Very low94 Ų94150.9 Ų150.978%0.77782%0.823SS**  trans-123.1144.1171.700000111.1
569P31Very low24.9Very low136 Ų136151.2 Ų151.288%0.88383%0.825SS**  trans-80.8164.2172.434-34.3000112.2
570S25.8Very low25.1Very low121 Ų121148.4 Ų148.485%0.84682%0.819SS**  trans-109.2153.3-164.856.30000115.6
571T25.7Very low25.3Very low136 Ų136148.8 Ų148.883%0.83482%0.815SS**  trans-81.1142.7178.649.70000114
572K25Very low25.4Very low213 Ų213145.4 Ų145.493%0.92681%0.81SS**  trans-141.8148.9146.3-77.1-165.5177.5178.80110.1
573E22.6Very low25.6Very low155 Ų155143.3 Ų143.372%0.72481%0.806SS**  trans-140.8144.7-169.1175.5-176.4-142.200109
574Y21Very low25.8Very low228 Ų228142.5 Ų142.589%0.89481%0.808SS**  trans-159.5160.7159.2-92.4-61.9000111
575H21.8Very low26.3Very low149 Ų149144.7 Ų144.769%0.6981%0.811SS**  trans-104.5-167.8-157.7-49-79.5000116
576V23.3Very low26.7Very low144 Ų144142.8 Ų142.887%0.87381%0.808SS**  trans92125.1168-179.30000114.5
577A23.1Very low26.8Very low90 Ų90141.7 Ų141.774%0.74480%0.803SS**  cis-163174.5-15.300000110.8
578V27.2Very low26.9Very low143 Ų143141.9 Ų141.987%0.86780%0.802SS**  trans-97.9140.7171.6175.80000110.8
579S24.9Very low27Very low118 Ų118145.1 Ų145.183%0.82581%0.806SS**  trans-140.5132.2161.5-170.70000109.8
580S30.6Very low27.1Very low103 Ų103143.7 Ų143.772%0.7281%0.805SS**  trans-112.9127.4179.655.30000110
581D27.5Very low27.2Very low157 Ų157144.1 Ų144.184%0.8480%0.803SS**  trans-152.9173.4163.8-136.6-30.4000112.7
582T29.5Very low27.4Very low112 Ų112148.8 Ų148.869%0.68781%0.807SS**  trans-132.6148.4-137.7-26.80000115.7
583I29.2Very low27.5Very low148 Ų148143.2 Ų143.276%0.75980%0.8SS**  trans67.1115.9163.5-30.2176.7000117.7
584K27Very low27.8Very low196 Ų196140.2 Ų140.285%0.85280%0.797SS**  178.9128.3113.4-96.1168.4-172178.20114.9
585L34.9Very low28.2Very low153 Ų153134.9 Ų134.980%0.80179%0.793SS**  trans-75.9156.6156.9-65.7165000110.1
586P33.3Very low28.8Very low121 Ų121138.4 Ų138.479%0.78680%0.8SS**  trans-114.9137.7141.434.6-27.1000111
587D26.4Very low29.1Very low137 Ų137141.1 Ų141.173%0.73380%0.8SS**  trans-77.6164.6-178.6-62.1-74.9000114.1
588T29.9Very low29.5Very low126 Ų126142.5 Ų142.577%0.77381%0.805SS**  trans-1.8128.3159.958.10000118.8
589N27.1Very low29.7Very low162 Ų162142.6 Ų142.687%0.86680%0.8SS**  trans-141.8123.9134.7-97.1-51.8000109.7
590A33Very low30.5Very low105 Ų105142.3 Ų142.387%0.86880%0.798SS**  trans-86.5129.1175.500000109.9
591T28.5Very low30.6Very low130 Ų130140.5 Ų140.580%0.79880%0.796SS**  trans-123.3111.3172.8-53.30000109.4
592Y29.8Very low31.1Very low234 Ų234139.9 Ų139.992%0.91880%0.797SS**  trans-63.2132.4170-118.2-109000110.2
593A27Very low31.3Very low96 Ų96143.6 Ų143.679%0.79381%0.807SS**  trans-141.6107.7167.400000109.4
594S28.2Very low31.6Very low92 Ų92141.3 Ų141.364%0.64380%0.804SS**  trans-81.3129.7178.458.40000111.1R596S594-R596 PolarHBondContact O-N 2.8Å
595S30.3Very low31.9Very low116 Ų116140.2 Ų140.281%0.81180%0.802SS**  trans-63.2113.7157.939.90000109.1
596R33.9Very low32.2Very low223 Ų223138.8 Ų138.884%0.84280%0.802SS**  trans-92.4132.4166.2-79-172.8169.9-166.2-4.4108.8S594S594-R596 PolarHBondContact O-N 2.8Å
597F29.7Very low31.9Very low201 Ų201139 Ų13988%0.88281%0.806SS**  trans-62.2139.1165.5-65.8-96.8000109.7
598S31.6Very low32.1Very low119 Ų119137.4 Ų137.483%0.83281%0.806SS**  trans-118.190.5165.6-70.30000108.2
599D31.9Very low32Very low146 Ų146141.5 Ų141.578%0.78181%0.813SS**  trans-74.2148.1163.3179.216.2000109.4G601D599-G601 PolarHBondContact OD1-N 2.96Å
600S40.8Very low32.1Very low111 Ų111137.8 Ų137.878%0.77681%0.805SS**  trans-162.454.9177.2-71.80000111.4
601G32.8Very low31.9Very low65 Ų65139 Ų13967%0.6780%0.802SS**  trans-64.7149164.400000112.9D599D599-G601 PolarHBondContact OD1-N 2.96Å
602V37.6Very low31.9Very low144 Ų144141.6 Ų141.687%0.87381%0.805SS**  trans-139.4116.7167.2-77.80000111.3
603E34.3Very low32.1Very low190 Ų190136.6 Ų136.689%0.88880%0.801SS**  trans-88.7163.3162.9-47.1172133.600107.5
604S35.3Very low32Very low100 Ų100138 Ų13870%0.69980%0.795SS**  cis-131-1463.9-62.10000107.9
605E33.2Very low32.2Very low173 Ų173139.3 Ų139.381%0.80880%0.801SS**  cis-160149.20.2-149.7150.7-80.200109.2
606P41Very low32Very low123 Ų123141.6 Ų141.680%0.79980%0.799SS**  trans-90.7164.8-174.536-36.2000114.5
607S27.8Very low31.8Very low125 Ų125139.2 Ų139.287%0.87480%0.801SS**  trans-142.4157.5168.5-170.60000111.6
608S31.5Very low31.5Very low105 Ų105133.8 Ų133.873%0.73479%0.794SS**  trans-130.5154.9-161.7-59.10000114.3
609F27.6Very low31.3Very low211 Ų211137.3 Ų137.393%0.92580%0.795SS**  trans50.6121.3144.2-122.2-94.2000120.8
610A28Very low30.9Very low84 Ų84140 Ų14069%0.69480%0.802SS**  trans-172.9125.2132.400000115.2
611T29.4Very low30.2Very low130 Ų130140.2 Ų140.280%0.79880%0.799SS**  trans51.3130.2141.757.10000123.5
612H28.6Very low29.8Very low185 Ų185144.1 Ų144.186%0.85680%0.804SS**  trans-63.2170.4156.7-51.6-88.2000112.7
613P33.4Very low29.3Very low129 Ų129145.4 Ų145.484%0.83880%0.801SS**  -137156.395.638.6-29000115.6
614N25.2Very low28.9Very low126 Ų126139.6 Ų139.667%0.67479%0.791SS**  trans-98.2145.6169178.135.5000110.3
615P33.3Very low28.7Very low119 Ų119141.1 Ų141.177%0.77380%0.799SS**  trans-114102.6162.734.9-22.3000112.5
616E25.6Very low28.2Very low165 Ų165136.1 Ų136.177%0.77179%0.793SS**  trans-82.7137157-73.4-177.3174.700110.3
617I28.9Very low28.1Very low172 Ų172135.7 Ų135.788%0.88279%0.791SS**  trans166.2132.5158-94.7153.1000107.1
618A23.9Very low27.9Very low88 Ų88136.2 Ų136.273%0.72779%0.793SS**  cis-157.4179.2-13.400000110
619F26.8Very low27.6Very low193 Ų193137.7 Ų137.785%0.84679%0.792SS**  trans-56.6149.2174.9-66.9-107.2000114
620E24.1Very low27.5Very low201 Ų201133.9 Ų133.994%0.93978%0.782SS**  -149.8149.8114.3-133.5173.3-169.400112.8
621T25.8Very low27.5Very low116 Ų116135.7 Ų135.771%0.71278%0.776SS**  trans-109.1143-172.2-57.10000109.9
622L25.6Very low27.4Very low147 Ų147138.9 Ų138.977%0.7777%0.773SS**  trans-159.8126.4154.4-107.7162.1000114.4
623Q26.7Very low27.2Very low172 Ų172137.3 Ų137.380%0.80477%0.77SS**  trans52.2112.5151.5-77.816311.700121.7
624G26.1Very low27.3Very low67 Ų67140.5 Ų140.569%0.69177%0.772SS**  trans-75.6177.7135.400000111.3
625P29.3Very low27.6Very low133 Ų133140.5 Ų140.586%0.86478%0.778SS**  -144.5167.271.241.1-25.8000116.1
626G24Very low27.2Very low67 Ų67143 Ų14369%0.69178%0.78SS**  trans-91.8-150.5156.900000111.2
627P38.9Very low27.2Very low115 Ų115142 Ų14275%0.74778%0.779SS**  cis-130.8-176.7-4.842.4-27.7000113.3
628C24.1Very low27Very low135 Ų135140.3 Ų140.391%0.91277%0.771SS**  trans-163.4102.4147.2-117.70000114.8
629N24.7Very low27.1Very low136 Ų136144.1 Ų144.173%0.72778%0.776SS**  trans-17.7162.7162.3-62.82.3000123.3
630N26Very low27Very low131 Ų131143.9 Ų143.970%0.70177%0.774SS**  trans79.2146.4148.6-76.718.1000119.3
631E26.3Very low27.9Very low123 Ų123138.8 Ų138.858%0.57576%0.759SS**  cis-160.5152.8-15.2-125.4-174.9-108.100111.8
632R28.1Very low27.8Very low197 Ų197139.6 Ų139.674%0.74376%0.758SS**  trans55.6130.6146.2-81.6-173.8164.9122.5-10.4124.8
633L24.8Very low27.8Very low151 Ų151141.5 Ų141.579%0.79176%0.763SS**  trans78.2136.8131.1-67.9171.4000122.7
634F34.5Very low27.7Very low197 Ų197140.6 Ų140.686%0.86476%0.764SS**  trans-68160.9156.3-68.8-92000111.8
635P31.7Very low27.7Very low126 Ų126144.6 Ų144.682%0.81877%0.774SS**  -137.6-176.1117.239.4-29.2000114.4
636Q25.3Very low27.5Very low172 Ų172147.5 Ų147.580%0.80477%0.774SS**  trans-107.3-179.7-173.9-55.4166.3-34.200112.4
637L25.3Very low27.7Very low143 Ų143154 Ų15475%0.74978%0.783SS**  trans76.1109151-72.7159.9000120.6
638L25.8Very low27Very low137 Ų137153.7 Ų153.772%0.71778%0.784SS**  55.1111.6113.4-171.177000119.8
639M24.5Very low27.1Very low167 Ų167155.7 Ų155.782%0.82379%0.785SS**  -172.6166.9122.9-103.6-57.1158.200114.6
640K24.5Very low27.1Very low189 Ų189152 Ų15282%0.82278%0.779SS**  trans-124.9173.6174.3-101.9-169.6177.6-173.10108.3
641P43.7Very low27Very low94 Ų94150.2 Ų150.261%0.6178%0.776SS**  cis-136.2-158.8-28.936.2-14.8000112.7
642D23.5Very low27Very low132 Ų132152.4 Ų152.471%0.70679%0.786SS**  trans75.2126.5155.4-58-17.9000122.3
643H25.6Very low26.9Very low188 Ų188148.3 Ų148.387%0.8779%0.787SS**  -168157.3112.2-94.3-10000114
644N24.7Very low27.1Very low152 Ų152147 Ų14781%0.81379%0.785SS**  trans-69.4150.1-170.4-69.2-77.3000116
645V26.8Very low27Very low151 Ų151145.1 Ų145.192%0.91578%0.779SS**  trans-134.7137.4143.8-177.60000109
646K24.6Very low26.9Very low195 Ų195143 Ų14385%0.84877%0.767SS**  trans-124.6143.9-174-170.7173.2-177.5173.60111.9
647F28.5Very low27.1Very low202 Ų202140.8 Ų140.889%0.88677%0.766SS**  trans-71.5144.3-177.4-88-99.3000115.2
648S23.2Very low27.3Very low109 Ų109140.1 Ų140.176%0.76277%0.773SS**  trans-172.3132.2148.2-76.20000107.1
649L26Very low27.5Very low178 Ų178137.9 Ų137.993%0.93277%0.774SS**  64.612760.1-164.877000112.1
650G25.4Very low28Very low59 Ų59137.4 Ų137.461%0.60877%0.774SS**  cis164.7179.3-2.700000111.2
651S24.5Very low28.2Very low93 Ų93133.4 Ų133.465%0.6577%0.769SS**  trans75.5152.3175.1-148.50000116.1
652H26.2Very low27.7Very low169 Ų169137.2 Ų137.278%0.78278%0.779SS**  cis-129.81399.8-67.7-100.2000109.6
653C26.1Very low28.1Very low111 Ų111139.2 Ų139.275%0.7579%0.788SS**  63.8135.175.2-52.30000114.1
654T29.6Very low28.7Very low122 Ų122139 Ų13975%0.74879%0.787SS**  cis-132.7-161.812.354.80000111.7
655E31.7Very low28.9Very low158 Ų158137.2 Ų137.274%0.73879%0.787SS**  cis-165.5178.63.1-140.1-176.5-84.200113.8
656S30.2Very low29.3Very low81 Ų81135.4 Ų135.457%0.56678%0.781SS**  trans28.1145.8144.5-63.40000124.9
657T28.4Very low30Very low127 Ų127133.7 Ų133.778%0.77978%0.78SS**  cis-177.9140.5-22.4360000110.5
658S29.1Very low30.2Very low129 Ų129130.7 Ų130.790%0.90278%0.779SS**  trans171.3154.2140.939.80000112.4
659A31.2Very low30.5Very low89 Ų89130.1 Ų130.174%0.73678%0.775SS**  trans-164.1176.7-172.900000114.7
660L34.1Very low30.8Very low158 Ų158129.1 Ų129.183%0.82777%0.768SS**  trans74.6154170.6-51172.6000116
661S30.1Very low30.9Very low104 Ų104133.5 Ų133.573%0.72778%0.778SS**  cis-135.5159.95.4-57.80000109.8
662E32.9Very low31.1Very low174 Ų174134.9 Ų134.981%0.81379%0.788SS**  cis74.6126.645-101.3-170.8-164.800117.6
663I31.5Very low31.5Very low175 Ų175134.8 Ų134.890%0.89779%0.792SS**  trans179.8156150.5-96.5155.9000111.2
664Q37.3Very low32.5Very low182 Ų182134.6 Ų134.685%0.8579%0.789SS**  trans-131177.5-176-85.3-163.6-40.700114.8
665S30.4Very low32.5Very low116 Ų116133.8 Ų133.881%0.81179%0.789SS**  trans83.3155.6172.885.10000115.8
666S34.5Very low32.5Very low112 Ų112132.9 Ų132.978%0.78379%0.789SS**  cis-142.3-173.417.5-740000113.2
667L39.8Very low32.7Very low160 Ų160136 Ų13684%0.83880%0.799SS**  trans-123.9167.2-178.2-90.8174.5000114.5
668T31.6Very low33Very low139 Ų139137 Ų13785%0.85380%0.795SS**  trans77.5150.3174.779.40000115.1
669S29.9Very low33Very low96 Ų96137.2 Ų137.267%0.67179%0.786SS**  cis-158.2152.514.458.30000115.2
670I31.8Very low33.1Very low157 Ų157137.6 Ų137.681%0.80578%0.783SS**  trans53.3134.4150.867-178.5000125.2
671N27.9Very low33.7Very low151 Ų151135 Ų13581%0.80778%0.775SS**  trans4.5137.6154.6-59.5-0.5000122.2
672S29.2Very low33.6Very low122 Ų122136.7 Ų136.785%0.85378%0.776SS**  -176140.4108.4-74.80000114.8
673L34.3Very low33.5Very low167 Ų167135.2 Ų135.287%0.87477%0.774SS**  trans-104.2176148.9-76.6167.9000107
674P47.6Very low33.3Very low107 Ų107134.4 Ų134.470%0.69577%0.772SS**  cis-135.1-1773.444-27.9000115
675S28.3Very low32.9Very low106 Ų106130.5 Ų130.574%0.74176%0.763SS**  trans164.2116.3143.257.70000107.9
676D32.3Very low32.9Very low139 Ų139133.6 Ų133.674%0.74376%0.762SS**  72.9136.468.5-73.3-28.2000114.6
677D35.2Very low32.6Very low145 Ų145137 Ų13778%0.77576%0.763SS**  trans62.7147.2164.3-58.6-22.2000118.8
678E33.7Very low31.9Very low150 Ų150134.8 Ų134.870%0.70176%0.76SS**  cis-157.4160.9-9.6-122.2-168.4149.500110.6
679L30.1Very low31.6Very low133 Ų133132.8 Ų132.870%0.69676%0.758SS**  trans56.1123.9147.2-63.2169000123.4
680S33.1Very low31.5Very low97 Ų97134.7 Ų134.768%0.67877%0.765SS**  trans-35.1166.2138.4570000115.6
681P45.2Very low32.3Very low102 Ų102132 Ų13266%0.66276%0.758SS**  cis-159.8-166.443.147.2-24.4000119.5
682D27.9Very low32.1Very low140 Ų140131.5 Ų131.575%0.74976%0.755SS**  trans66.1105.8148.8-62.8-14.4000122.2
683D31.3Very low32.1Very low144 Ų144130.5 Ų130.577%0.7775%0.747SS**  36.1126.6113.8-83.5-3.7000120.2
684N27.1Very low31.7Very low158 Ų158132 Ų13285%0.84575%0.749SS**  -151.2143.1111.1-122-92.6000115.4
685C29.2Very low30.8Very low100 Ų100134.8 Ų134.868%0.67676%0.757SS**  trans-97.5158.9-176.8167.90000112.3
686K29.8Very low30.8Very low180 Ų180134.5 Ų134.578%0.78376%0.755SS**  trans-159104.3148.5-106.6144.2-169165.60113.9
687K29Very low30.5Very low185 Ų185135.3 Ų135.380%0.80476%0.76SS**  trans55.3146.6133-61-178.6177.5-173.10118.9
688S26.2Very low30.2Very low112 Ų112133.2 Ų133.278%0.78376%0.757SS**  cis-173151.6-7.344.30000106.1
689A25.4Very low30Very low97 Ų97135.1 Ų135.180%0.80276%0.762SS**  -169.2178.167.400000113.2
690V26.9Very low29.9Very low137 Ų137134.6 Ų134.683%0.8377%0.765SS**  trans-162.5156.8-161.8135.90000105.1
691P48.4Very low29.6Very low99 Ų99135.2 Ų135.264%0.64377%0.765SS**  cis-144.1-168.33632.5-6.6000117.5
692D24.8Very low28.7Very low141 Ų141138.7 Ų138.775%0.75477%0.769SS**  trans92.7135.4147.8-65-31.4000121.5
693C28Very low28.6Very low101 Ų101138.3 Ų138.368%0.68277%0.767SS**  cis167.8132.2-36.6-101.60000107.6
694H26.1Very low28.5Very low199 Ų199138.5 Ų138.592%0.92177%0.768SS**  trans-171.1168.6135.9-106.9-69.9000110.8
695L29.5Very low28.3Very low165 Ų165134.7 Ų134.786%0.86477%0.766SS**  trans-126.6-173.9-161.7-87.2162.4000112.1
696S27.9Very low28.4Very low100 Ų100135.4 Ų135.470%0.69977%0.767SS**  trans89138.6172.6-72.10000116.4
697D26.6Very low28.2Very low156 Ų156134.8 Ų134.883%0.83477%0.769SS**  cis-149.6171.51.2-116.12.4000113.8
698S27.3Very low28Very low102 Ų102132.5 Ų132.571%0.71377%0.766SS**  trans-115.4149.6-176.163.40000113
699K29.3Very low28.2Very low189 Ų189135.3 Ų135.382%0.82277%0.771SS**  trans-179.3111.5145.8-102.4155.8-174.5171.40112.3
700T29.3Very low28.4Very low122 Ų122136.1 Ų136.175%0.74877%0.769SS**  76.4140.994.159.10000115.1
701V26.6Very low28.6Very low111 Ų111139.6 Ų139.667%0.67377%0.772SS**  cis-159.9138.714.5114.90000110.8
702F26Very low27.5Very low174 Ų174140.8 Ų140.876%0.76378%0.781SS**  trans27.5165.5149-61.9-100.2000123.4
703N26.8Very low27.6Very low132 Ų132140.8 Ų140.871%0.70678%0.781SS**  cis-132.5144.30.7-86.7-64.4000107.4
704L27.7Very low27.8Very low148 Ų148144.1 Ų144.178%0.77579%0.792SS**  67.4120.357.9-163.970.9000114.9
705G23.9Very low28.4Very low79 Ų79140.1 Ų140.181%0.81478%0.782SS**  trans-17652.9-177.300000114.3
706T30.1Very low28.4Very low114 Ų114142.2 Ų142.270%0.69978%0.784SS**  trans-71.1131.9178-420000111.9
707M26.7Very low28.6Very low168 Ų168147.2 Ų147.283%0.82879%0.794SS**  trans-152.9158.5159.1-91.5-59.596.300111.3
708D24.8Very low28.5Very low137 Ų137145.3 Ų145.373%0.73379%0.793SS**  trans-79.2155.2-159.4-61.3-80.1000116.8P710D708-P710 VanDerWaalsContact O-CD 3.29Å; D708-P710 WeakPolarHBondContact O-CD 3.29Å
709L30.2Very low28.4Very low170 Ų170145.4 Ų145.489%0.8979%0.793SS**  trans-82.3113165.5-82.3162.9000110.8
710P29.5Very low28.2Very low115 Ų115143.7 Ų143.775%0.74779%0.791SS**  trans-73.5133.4160.531-32000109.6D708D708-P710 VanDerWaalsContact O-CD 3.29Å; D708-P710 WeakPolarHBondContact O-CD 3.29Å
711K31.4Very low28Very low210 Ų210145 Ų14591%0.91379%0.792SS**  trans-61.8137.9163.9-66.7178.2178179.60108.9
712C25.8Very low28Very low123 Ų123147.1 Ų147.183%0.83180%0.799SS**  trans-109.5135.4168.4-156.30000108.8
713D25.9Very low28.1Very low141 Ų141146.3 Ų146.375%0.75480%0.798SS**  trans-79.4128.8-178.7-72-58.7000111.9T715D713-T715 PolarHBondContact O-N 2.93Å
714D33.6Very low28.6Very low171 Ų171147.6 Ų147.691%0.91480%0.799SS**SBendtrans-71.360.2171.8-79.6-47.8000112.6
715T37.5Very low28.8Very low115 Ų115147.9 Ų147.971%0.70680%0.797SS**  trans-144.173.2170.245.60000113.3D713D713-T715 PolarHBondContact O-N 2.93Å
716K29.9Very low29.3Very low209 Ų209149 Ų14991%0.90979%0.792SS**  trans-145.4138.7155-104.1127.9-171.2174.30112.7
717K31.2Very low29.5Very low206 Ų206148.3 Ų148.390%0.89679%0.787SS**  trans-69.8133.5177.8-59.4174.2-179.2179.90109.3S719K717-S719 PolarHBondContact O-N 3.45Å; K717-S719 VanDerWaalsContact O-N 3.09Å
718S25.9Very low29.8Very low116 Ų116146.2 Ų146.281%0.81178%0.784SS**  trans-68.3100.5170.1350000110.4I720S718-I720 PolarHBondContact O-N 2.99Å
719S23.6Very low30.1Very low104 Ų104148.7 Ų148.773%0.72779%0.788SS**  trans-73.8104.1167.353.60000109.2K717 I721K717-S719 PolarHBondContact O-N 3.45Å; K717-S719 VanDerWaalsContact O-N 3.09Å; S719-I721 PolarHBondContact O-N 2.99Å; S719-I721 VanDerWaalsContact O-N 3.15Å
720I25.4Very low30.3Very low153 Ų153145.4 Ų145.479%0.78578%0.779SS**  trans-62.7115.2169.8-62.1172.9000107.6S718 L722S718-I720 PolarHBondContact O-N 2.99Å; I720-L722 PolarHBondContact O-N 3.37Å
721I24.7Very low30.4Very low148 Ų148143.9 Ų143.976%0.75979%0.785SS**  trans-77.8110.9170-62176.8000106.5S719 Q723S719-I721 PolarHBondContact O-N 2.99Å; S719-I721 VanDerWaalsContact O-N 3.15Å; I721-Q723 VanDerWaalsContact C-N 3.35Å; I721-Q723 PolarHBondContact O-N 3.12Å
722L26.6Very low30.2Very low157 Ų157141.1 Ų141.182%0.82278%0.775SS**  trans-66.693.9170.2-85.7164.9000109.1I720 Q724I720-L722 PolarHBondContact O-N 3.37Å; L722-Q724 PolarHBondContact O-N 3.28Å; L722-Q724 VanDerWaalsContact O-N 3.1Å
723Q28Very low30.7Very low157 Ų157142.9 Ų142.973%0.73478%0.775SS**  trans-76.296.9173.3-172.4172.80.800109.2I721 Q725I721-Q723 VanDerWaalsContact C-N 3.35Å; I721-Q723 PolarHBondContact O-N 3.12Å; Q723-Q725 PolarHBondContact O-N 2.89Å; Q723-Q725 VanDerWaalsContact O-N 3.17Å
724Q38.5Very low30.9Very low159 Ų159142.3 Ų142.374%0.74377%0.772SS**  trans-59.8114.2174.6-176.5177.91.200110.1L722L722-Q724 PolarHBondContact O-N 3.28Å; L722-Q724 VanDerWaalsContact O-N 3.1Å
725Q32.4Very low30.9Very low154 Ų154140.9 Ų140.972%0.7277%0.765SS**  trans-110.7110.7171.8-66.1-174.42.900109Q723Q723-Q725 PolarHBondContact O-N 2.89Å; Q723-Q725 VanDerWaalsContact O-N 3.17Å
726S33.8Very low30.5Very low102 Ų102143.1 Ų143.171%0.71377%0.772SS**  trans-97.9118.9165.142.30000108.9
727V34.3Very low30.6Very low99 Ų99139.1 Ų139.160%0.677%0.766SS**  trans-102.7108.3175.3-179.70000108.1F729V727-F729 HydrophobicContact CB-CE2 4.41Å; V727-F729 HydrophobicContact CG1-CD2 4.29Å; V727-F729 HydrophobicContact CG1-CE1 4.17Å; V727-F729 HydrophobicContact CG1-CE2 3.84Å; V727-F729 HydrophobicContact CG1-CZ 3.78Å
728V33.2Very low30.4Very low124 Ų124137.6 Ų137.675%0.75277%0.766SS**  trans-91.9108.8177.3-179.40000108.9S730V728-S730 VanDerWaalsContact C-N 3.34Å; V728-S730 PolarHBondContact O-N 2.82Å
729F30.6Very low30.6Very low190 Ų190136 Ų13683%0.83376%0.76SS**  trans-77.281176-69-80.1000111.3V727 G731V727-F729 HydrophobicContact CB-CE2 4.41Å; V727-F729 HydrophobicContact CG1-CD2 4.29Å; V727-F729 HydrophobicContact CG1-CE1 4.17Å; V727-F729 HydrophobicContact CG1-CE2 3.84Å; V727-F729 HydrophobicContact CG1-CZ 3.78Å; F729-G731 PolarHBondContact O-N 3.31Å
730S34.2Very low30.6Very low100 Ų100139.7 Ų139.770%0.69977%0.768SS**  trans-77.7101169.459.10000110.6V728 H732V728-S730 VanDerWaalsContact C-N 3.34Å; V728-S730 PolarHBondContact O-N 2.82Å; S730-H732 PolarHBondContact O-N 2.92Å
731G32.3Very low30.6Very low84 Ų84140.7 Ų140.787%0.86677%0.769SS**  trans-67.991.9170.600000111.4F729F729-G731 PolarHBondContact O-N 3.31Å
732H27.3Very low30.6Very low152 Ų152138.5 Ų138.570%0.70477%0.767SS**  trans-86.2118.2173.5-152.335.7000109.6S730 D734S730-H732 PolarHBondContact O-N 2.92Å; H732-D734 IonicContact CD2-OD1 3.73Å; H732-D734 IonicContact CD2-OD2 3.57Å; H732-D734 PolarHBondContact CD2-OD2 2.69Å; H732-D734 IonicContact NE2-OD1 2.68Å; H732-D734 IonicContact NE2-OD2 3.55Å; H732-D734 PolarHBondContact O-N 2.74Å
733L35.4Very low30.5Very low159 Ų159139 Ų13983%0.83277%0.769SS**  trans-9670.3-179.8-16284.6000109.8N735L733-N735 PolarHBondContact O-N 3.07Å
734D30.1Very low30.4Very low129 Ų129138.1 Ų138.169%0.6977%0.77SS**  trans-67.8101.3175.2-80.8-43.3000110.2H732 D736H732-D734 IonicContact CD2-OD1 3.73Å; H732-D734 IonicContact CD2-OD2 3.57Å; H732-D734 PolarHBondContact CD2-OD2 2.69Å; H732-D734 IonicContact NE2-OD1 2.68Å; H732-D734 IonicContact NE2-OD2 3.55Å; H732-D734 PolarHBondContact O-N 2.74Å; D734-D736 PolarHBondContact O-N 3.24Å
735N34.3Very low29.8Very low142 Ų142139 Ų13976%0.75978%0.779SS**  trans-99.560.4-173.7-171.932.7000111.1L733L733-N735 PolarHBondContact O-N 3.07Å
736D28.9Very low29.5Very low161 Ų161136.7 Ų136.786%0.86178%0.78SS**  trans-104.7132.3179.2-121.8-25.3000111.7D734D734-D736 PolarHBondContact O-N 3.24Å
737T32.2Very low29.1Very low126 Ų126138.2 Ų138.277%0.77379%0.785SS**  trans-10199.8-162.4-55.60000112.6
738L27.4Very low28.7Very low174 Ų174142.1 Ų142.191%0.91180%0.797SS**  trans-131.4145.4163.5-82.7174.7000111.8
739A29.1Very low28.5Very low83 Ų83142.5 Ų142.569%0.68679%0.794SS**PPolyproline II helixtrans-80131.2-160.200000113.9
740M24.8Very low28.4Very low180 Ų180139.1 Ų139.189%0.88779%0.791SS**PPolyproline II helixtrans-90.2129.2158-80.3-76.494.100110S742M740-S742 PolarHBondContact O-N 2.97Å
741H24.2Very low28Very low175 Ų175142.1 Ų142.181%0.8180%0.799SS**PPolyproline II helixtrans-73.7119.7171.4-82.5-95.9000109.7
742S24.6Very low27.6Very low101 Ų101150.3 Ų150.371%0.70680%0.803SS**PPolyproline II helixtrans-62.7131.4162.450.50000110.1M740M740-S742 PolarHBondContact O-N 2.97Å
743L25.7Very low27.6Very low167 Ų167150.7 Ų150.787%0.87481%0.81SS**  trans-120.7133.9159.6-74.6175.3000107.9
744D24.6Very low27Very low139 Ų139149 Ų14974%0.74381%0.806SS**  trans-77.1139.6-160.6-59.3-77000114.1S746D744-S746 VanDerWaalsContact C-N 3.26Å; D744-S746 PolarHBondContact O-N 2.89Å; D744-S746 VanDerWaalsContact O-N 3.11Å
745L26.3Very low26.7Very low178 Ų178151.2 Ų151.293%0.93281%0.809SS**  trans-76.782153.9-88.3163.1000108.4T747L745-T747 PolarHBondContact O-N 3.24Å; L745-T747 VanDerWaalsContact O-N 3.11Å
746S25.4Very low26.3Very low106 Ų106150.9 Ų150.974%0.74181%0.807SS**  trans-70103.6176.8600000111D744 E748D744-S746 VanDerWaalsContact C-N 3.26Å; D744-S746 PolarHBondContact O-N 2.89Å; D744-S746 VanDerWaalsContact O-N 3.11Å; S746-E748 PolarHBondContact O-N 2.92Å
747T27.1Very low26.1Very low133 Ų133149.8 Ų149.882%0.81680%0.801SS**  trans-68.1119.2164.945.30000110.5L745L745-T747 PolarHBondContact O-N 3.24Å; L745-T747 VanDerWaalsContact O-N 3.11Å
748E26.1Very low25.9Very low182 Ų182151.8 Ų151.885%0.8580%0.802SS**  trans-140.6142.1156-89.2-59.3166.900109.9S746S746-E748 PolarHBondContact O-N 2.92Å
749D27.6Very low25.9Very low131 Ų131150.6 Ų150.670%0.70180%0.796SS**  trans-92.1151.5179.8-150.3-19.5000108.8
750P28.1Very low25.9Very low119 Ų119150.2 Ų150.277%0.77379%0.793SS**  trans-145.4102.2136.833-15.6000114.9
751L26.7Very low26Very low163 Ų163147 Ų14785%0.85379%0.789SS**  trans-125.685.3152.5-76.8-178.7000112.5
752R24.6Very low26.3Very low256 Ų256144.6 Ų144.697%0.96679%0.791SS**  trans-141.1114.4157.1-74.2-163.2173.3-167-1.5111.2
753L26.4Very low26.3Very low160 Ų160143.2 Ų143.284%0.83879%0.793SS**  trans-13293.5-179.2-166.2161.8000109.1
754V23.6Very low26.3Very low123 Ų123141.6 Ų141.675%0.74579%0.79SS**  trans-147.8116.4178175.70000109
755F23.6Very low26.5Very low176 Ų176146.2 Ų146.277%0.77280%0.797SS**  trans18.5145.5137.4-56-70000120.1
756L25.2Very low26.6Very low136 Ų136142.5 Ų142.571%0.71279%0.786SS**  cis-165.2-175.117.1-127168.3000112.9
757D24.2Very low26.6Very low138 Ų138142.1 Ų142.174%0.73878%0.783SS**  trans77.3150.8162-56.2-27.9000119.3
758E28.9Very low26.5Very low167 Ų167147.3 Ų147.378%0.7879%0.788SS**  cis-171.1-166.7-38.2-123.3-74.554.100109.2
759D27.6Very low26.4Very low149 Ų149142 Ų14280%0.79778%0.782SS**  trans79.5135.1169.5-80.4-27000118.1
760A28.7Very low26.3Very low75 Ų75141.6 Ų141.662%0.6279%0.79SS**  cis-162.8130.9-12.800000115.4
761S27.5Very low26.3Very low114 Ų114144.7 Ų144.780%0.79779%0.791SS**  trans82.8151.213983.40000124.3
762S30Very low26.8Very low123 Ų123143 Ų14386%0.8679%0.789SS**  trans76.4128.4171.1780000118.7
763G24.6Very low26.8Very low72 Ų72137.2 Ų137.274%0.74277%0.773SS**  cis173.7167.1-14.100000115.6
764V26.5Very low26.8Very low134 Ų134137 Ų13781%0.81277%0.772SS**  trans86.2100.3162.5-171.60000120.3
765R27.3Very low26.9Very low235 Ų235137.1 Ų137.189%0.88777%0.768SS**  trans61.4148140.8-72.3-178.3176.1175.9-1.3120.9
766S28.2Very low27.3Very low100 Ų100133.1 Ų133.170%0.69977%0.768SS**  cis-173.4150-3.146.50000114.5
767S26.3Very low27.9Very low98 Ų98132.6 Ų132.669%0.68577%0.773SS**  trans64.5153.9151.1-103.30000119.5
768W24.7Very low28Very low243 Ų243135.4 Ų135.492%0.9278%0.779SS**  cis-162.1135.13-145.7-42.9000111.4
769G24.1Very low27.9Very low71 Ų71134.6 Ų134.673%0.73279%0.786SS**  trans64166.3156.300000119.4
770S26.6Very low27.8Very low122 Ų122130.7 Ų130.785%0.85378%0.781SS**  cis-163.9144.7-1350.30000111.4
771K27.6Very low28.3Very low183 Ų183132.8 Ų132.880%0.79679%0.788SS**  trans-72.8164.4172.2-138.2172.7-173.3176.90111
772P36.2Very low28.3Very low127 Ų127136.2 Ų136.283%0.82579%0.791SS**  -144.4-177.895.539.1-23.5000115.5
773H25Very low28.3Very low135 Ų135134.6 Ų134.663%0.62578%0.78SS**  trans-134.8158.7-178.4-173.2-83.8000108.6D775H773-D775 IonicContact CE1-OD1 3.03Å; H773-D775 PolarHBondContact CE1-OD1 3.28Å; H773-D775 IonicContact ND1-OD1 2.71Å; H773-D775 PolarHBondContact ND1-OD1 3.05Å
774L27.1Very low28.4Very low155 Ų155140.4 Ų140.481%0.81279%0.788SS**  trans171.8112.6162.8-91.6146.8000105.6
775D25.6Very low28.4Very low126 Ų126137.4 Ų137.467%0.67478%0.784SS**  93.9143.562.2-67.9-12000113.3H773H773-D775 IonicContact CE1-OD1 3.03Å; H773-D775 PolarHBondContact CE1-OD1 3.28Å; H773-D775 IonicContact ND1-OD1 2.71Å; H773-D775 PolarHBondContact ND1-OD1 3.05Å
776A31Very low28.4Very low93 Ų93132.3 Ų132.377%0.76978%0.779SS**  trans-95176.4-171.300000113.1
777P37.8Very low28.3Very low125 Ų125132.5 Ų132.581%0.81278%0.78SS**  -156-174.478.342-20.7000117.7
778F27.3Very low28.4Very low196 Ų196132.4 Ų132.486%0.8678%0.779SS**  trans-46150.2174.4-68.1-102.8000118.1
779T26.5Very low28.5Very low151 Ų151127.2 Ų127.293%0.92677%0.77SS**  -174163.3107.120.30000112.8
780G24.9Very low28.6Very low67 Ų67130.5 Ų130.569%0.69177%0.771SS**  trans-155.5175.9168.900000110.9
781P39Very low28.6Very low118 Ų118129.6 Ų129.677%0.76676%0.764SS**  trans-141.5131.5154.535.3-19000115.8
782Q27.9Very low28.4Very low186 Ų186127.1 Ų127.187%0.86976%0.764SS**  45.4152.5121.3-64.3-175.4-5.700122.5
783S30.9Very low27.8Very low89 Ų89129.1 Ų129.162%0.62276%0.763SS**  cis-177.6-175.3-18.961.70000110.6
784Q26.9Very low27.9Very low195 Ų195127.7 Ų127.791%0.91177%0.768SS**  trans75.7138.9178.3-48.8-178.66.900114.3
785G25.9Very low27.7Very low70 Ų70127.1 Ų127.172%0.72277%0.771SS**  cis180165.9-500000108.1
786T27.1Very low27.7Very low129 Ų129126.1 Ų126.179%0.79177%0.771SS**  cis-166.1153.519.6-48.80000109.9
787S25.8Very low27.4Very low104 Ų104128.2 Ų128.273%0.72777%0.774SS**  trans60.5154.3156.450.60000121.6
788S27.6Very low26.7Very low95 Ų95129.6 Ų129.666%0.66477%0.774SS**  cis-175.8146-30.555.80000112.4
789N27.6Very low26.7Very low135 Ų135127.5 Ų127.572%0.72277%0.772SS**  trans69.8105.1146.9-60.7-4.7000122.6
790N26.4Very low26.6Very low140 Ų140125.7 Ų125.775%0.74977%0.765SS**  79.9141.9114.4-61.2-3.8000124.5
791S25.7Very low26.7Very low102 Ų102131.9 Ų131.971%0.71377%0.773SS**  trans71.2111.9148.842.40000121.1
792T25Very low25.9Very low131 Ų131133.5 Ų133.580%0.80478%0.775SS**  31.2128115.6-21.70000116.6
793E23.1Very low25.7Very low169 Ų169131.3 Ų131.379%0.7977%0.768SS**  -170.1160.959.9-169.9164-14800113.6
794S26.3Very low25.3Very low106 Ų106132.1 Ų132.174%0.74177%0.772SS**  trans47116.3159.863.20000121.7
795V23Very low25.3Very low142 Ų142130.6 Ų130.686%0.86177%0.769SS**  trans-136.2139.5153.9177.90000107.5
796P25.3Very low25.2Very low106 Ų106130.9 Ų130.969%0.68877%0.773SS**  trans-91.9153.4-156.534.9-37.2000116.1L798P796-L798 PolarHBondContact O-N 3.35Å; P796-L798 VanDerWaalsContact O-N 3.15Å
797T25.1Very low25.2Very low136 Ų136129.9 Ų129.983%0.83477%0.771SS**  trans-74.596171.5-30.50000111.1N799T797-N799 PolarHBondContact O-N 3.42Å
798L24.1Very low25.3Very low155 Ų155130.8 Ų130.881%0.81277%0.774SS**  trans-80.4111.7172.7-83.4167.1000110.9P796 S800P796-L798 PolarHBondContact O-N 3.35Å; P796-L798 VanDerWaalsContact O-N 3.15Å; L798-S800 PolarHBondContact O-N 2.89Å; L798-S800 VanDerWaalsContact O-N 3.09Å
799N26.7Very low25.2Very low152 Ų152132.2 Ų132.281%0.81378%0.783SS**  trans-75.390.8171.6-74.8-70.5000110.4T797 K801T797-N799 PolarHBondContact O-N 3.42Å; N799-K801 PolarHBondContact O-N 3.2Å; N799-K801 VanDerWaalsContact O-N 3.07Å
800S24.8Very low25.1Very low112 Ų112131.6 Ų131.678%0.78378%0.783SS**  trans-71.694.3169.839.80000110.8L798 L802L798-S800 PolarHBondContact O-N 2.89Å; L798-S800 VanDerWaalsContact O-N 3.09Å; S800-L802 PolarHBondContact O-N 3.33Å; S800-L802 VanDerWaalsContact O-N 3.07Å
801K25.6Very low25.1Very low197 Ų197131.5 Ų131.586%0.85779%0.788SS**  trans-62.9107.3160.6-81.7-173.5172.8-175.70108.5N799 I803N799-K801 PolarHBondContact O-N 3.2Å; N799-K801 VanDerWaalsContact O-N 3.07Å; K801-I803 PolarHBondContact O-N 3.23Å
802L23Very low25.2Very low153 Ų153131.3 Ų131.380%0.80179%0.786SS**  trans-65.9122.8168.1-150.482.7000108.5S800S800-L802 PolarHBondContact O-N 3.33Å; S800-L802 VanDerWaalsContact O-N 3.07Å
803I24Very low25.3Very low140 Ų140129 Ų12972%0.71879%0.788SS**  trans-93.697.9171.9-60.5177.3000106.7K801 L805K801-I803 PolarHBondContact O-N 3.23Å; I803-L805 HydrophobicContact CG2-CG 4.39Å; I803-L805 PolarHBondContact O-N 2.86Å
804C21.9Very low25.5Very low106 Ų106126.2 Ų126.272%0.71679%0.788SS**  trans-68.3117.8173.3-61.10000109.8
805L26.3Very low25.5Very low162 Ų162127.8 Ų127.885%0.84879%0.793SS**  trans-113.2130.8168.1-76.7167.4000108.4I803I803-L805 HydrophobicContact CG2-CG 4.39Å; I803-L805 PolarHBondContact O-N 2.86Å
806G25.6Very low25.5Very low77 Ų77126.8 Ų126.879%0.79479%0.791SS**  trans78.867.6166.400000116.8
807S26.9Very low25.6Very low107 Ų107127.8 Ų127.875%0.74880%0.795SS**  trans-80.5131.2154.6-56.50000109.5
808P27.1Very low25.7Very low124 Ų124128.5 Ų128.581%0.80579%0.793SS**  trans-68.9133.817628.2-33.6000110.7V810P808-V810 PolarHBondContact O-N 3.22Å; P808-V810 VanDerWaalsContact O-N 3.1Å
809C25.4Very low25.8Very low124 Ų124125.7 Ų125.784%0.83879%0.793SS**  trans-75.599.4-177.3-71.20000111.7V811C809-V811 PolarHBondContact O-N 2.81Å
810V26.7Very low25.8Very low122 Ų122121.3 Ų121.374%0.73978%0.784SS**  trans-74.6115.5161.4178.50000108.3P808 S812P808-V810 PolarHBondContact O-N 3.22Å; P808-V810 VanDerWaalsContact O-N 3.1Å; V810-S812 VanDerWaalsContact C-N 3.29Å; V810-S812 PolarHBondContact O-N 3.3Å
811V26Very low25.9Very low138 Ų138124.4 Ų124.484%0.83679%0.79SS**  trans-8175.7178.7-174.30000110C809 G813C809-V811 PolarHBondContact O-N 2.81Å; V811-G813 PolarHBondContact O-N 2.89Å
812S28.3Very low25.9Very low98 Ų98121 Ų12169%0.68579%0.792SS**  trans-77.5104.8166-69.30000109.9V810 S814V810-S812 VanDerWaalsContact C-N 3.29Å; V810-S812 PolarHBondContact O-N 3.3Å; S812-S814 PolarHBondContact O-N 2.87Å
813G26.1Very low26.3Very low82 Ų82118.6 Ų118.685%0.84579%0.793SS**  trans-64.4113.6173.100000111.6V811V811-G813 PolarHBondContact O-N 2.89Å
814S27.6Very low26.5Very low112 Ų112118 Ų11878%0.78379%0.792SS**  trans-135.3134.1165.262.30000109.5S812S812-S814 PolarHBondContact O-N 2.87Å
815V25.3Very low26.8Very low139 Ų139122.9 Ų122.984%0.84280%0.795SS**  trans-90.8112.6-176.3178.60000108.9
816C24.2Very low26.8Very low121 Ų121121.1 Ų121.182%0.81879%0.791SS**  trans-93112.2171.8-166.90000109.6D818C816-D818 PolarHBondContact O-N 3.41Å
817T27.2Very low26.9Very low126 Ų126123.8 Ų123.877%0.77379%0.792SS**  trans-85.1101.7170.849.90000109.7
818D26.1Very low26.9Very low151 Ų151128 Ų12881%0.80780%0.8SS**  trans-74.1138.4172.7-169.56.1000111.2C816C816-D818 PolarHBondContact O-N 3.41Å
819A27.3Very low26.9Very low97 Ų97125.6 Ų125.680%0.80280%0.797SS**  trans-147.471.7-177.500000109.5
820G27Very low27Very low60 Ų60129.3 Ų129.362%0.61980%0.799SS**  trans-75-175-172.900000116.5
821L27.1Very low27.1Very low176 Ų176129.7 Ų129.792%0.92181%0.808SS**  trans74.699.3179-48.1176.7000114.4
822S24.1Very low27.1Very low127 Ų127127 Ų12789%0.88881%0.807SS**  -175.9161.866.243.60000112.4
823A31.1Very low27Very low101 Ų101131.2 Ų131.284%0.83582%0.816SS**  trans-136.7140.1171.600000110.4
824D29.2Very low28Very low128 Ų128131.7 Ų131.768%0.68480%0.804SS**  trans179.2163142.2-169.822.2000110.6
825R27.2Very low28.1Very low209 Ų209133 Ų13379%0.78980%0.802SS**  trans86.879.1158.7-48.7-160.2178.6173.51.9122
826T26.9Very low28.2Very low125 Ų125132.1 Ų132.177%0.76779%0.792SS**  -0.2139.412429.50000122.6
827V28.2Very low28.5Very low132 Ų132134.4 Ų134.480%0.879%0.791SS**  trans79.9107.8138.4176.60000120.9
828E26.7Very low28.6Very low197 Ų197137.8 Ų137.892%0.92180%0.795SS**  -168.4158.9117.7-99.5-173165.500108
829G26.3Very low28.6Very low73 Ų73139.7 Ų139.775%0.75380%0.799SS**  cis-151.7-165.80.900000111.5
830K28.7Very low28.5Very low201 Ų201141.4 Ų141.487%0.87480%0.799SS**  trans-108.4162.9-160.8-62.8172.3-179.6169.50117
831S28.2Very low28.4Very low131 Ų131144.1 Ų144.192%0.91681%0.807SS**  trans99.8145.7138.477.50000120
832G27.1Very low28.3Very low81 Ų81141.2 Ų141.284%0.83580%0.802SS**  trans145.349.3166.500000120
833E26.5Very low28.5Very low187 Ų187140.2 Ų140.287%0.87480%0.801SS**  trans-91.4169.6163-102.7-156141.200110.8
834P46.1Very low28.3Very low91 Ų91140 Ų14059%0.59180%0.799SS**  cis-146-167-26.237.1-15.7000115.3
835L29.6Very low28.7Very low139 Ų139139.1 Ų139.173%0.72880%0.8SS**  trans87.1127.8149.6-68.7168.3000124.5
836N28.4Very low28.8Very low121 Ų121135.6 Ų135.665%0.64780%0.802SS**  trans72.7153.5138.5-74.7-21.8000120.8
837H29.5Very low28.9Very low169 Ų169135 Ų13578%0.78280%0.798SS**  cis-144.4-176.410.8-104.4-35.5000113.8
838K29.1Very low29Very low198 Ų198137 Ų13786%0.86180%0.798SS**  trans-87.3172-179.1-54.3174.4177.5179.20114.3
839Q26.7Very low29.1Very low190 Ų190133.1 Ų133.189%0.88879%0.793SS**  trans139.2136.8150.7-177172-40.700112
840V25.7Very low29.4Very low134 Ų134137.1 Ų137.181%0.81280%0.797SS**  cis-156.9176.5-10.7111.60000111.5
841C24.1Very low30.2Very low117 Ų117136.8 Ų136.879%0.79182%0.816SS**  trans-82.2158.8-178.9-36.10000117.1
842S25.9Very low30.3Very low114 Ų114137.1 Ų137.180%0.79781%0.811SS**  trans-179.7131.5134.654.40000109.9
843A27.3Very low30.4Very low106 Ų106140.1 Ų140.188%0.87681%0.809SS**  cis95.4142.939.600000113.9
844A28.1Very low30.7Very low96 Ų96137.4 Ų137.479%0.79381%0.806SS**  trans-100.4178.5-16500000114.8
845P37.8Very low29.7Very low110 Ų110140.2 Ų140.271%0.71482%0.818SS**  trans-133137.4148.642.2-29.8000112.5
846V28.2Very low29.8Very low135 Ų135140.3 Ų140.382%0.81882%0.824SS**  78.7133.298.4169.30000113.5
847V29.1Very low29.8Very low112 Ų112141.5 Ų141.568%0.67984%0.836SS**  cis-160.2172.9-4.6117.80000110.5
848E29.9Very low29.9Very low175 Ų175139.6 Ų139.682%0.81884%0.84SS**  trans-15.1134.4165.9-51.9161.3131.200119.6
849S28.7Very low29.9Very low115 Ų115135.1 Ų135.180%0.80484%0.838SS**  -168.3130.4122.461.40000112.6
850D33.7Very low30.2Very low157 Ų157130.5 Ų130.584%0.8483%0.834SS**  trans-62.5164.4158.7-69.1-48.7000111.2
851P44.1Very low30.6Very low195 Ų195130.2 Ų130.2100%1.26684%0.836SS**  cis-127.109.443.1-29.3000116.8

Retrieved 851 of 851 residues in 2858.2 ms (Link to these results)

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