A0A077YXA5_TRITR Loading...

Large ribosomal subunit protein uL22

AlphaFold DB , UniProt , Accession A0A077YXA5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 189 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
1M49.1Very low83.8Confident248 Ų248113.1 Ų113.1100%1.22259%0.586SS**  0123.50-89.3173.5174.300108.4
2G66.8Low84.3Confident69 Ų69108.8 Ų108.871%0.71157%0.565SS**  trans-64140177.100000111V4G2-V4 PolarHBondContact O-N 3.07Å
3R76.1Confident84.9Confident217 Ų217105.4 Ų105.482%0.81956%0.562SS**  trans-60.7120177.4-159.7173.7-168.4-1794.8108.9H5R3-H5 PolarHBondContact O-CD2 3.03Å; R3-H5 PolarHBondContact O-N 3.27Å
4V84.9Confident85.4Confident91 Ų91103.2 Ų103.255%0.55257%0.566SS**  trans-85.8113.9-177.8179.20000108.5G2 Y6 R20G2-V4 PolarHBondContact O-N 3.07Å; V4-Y6 HydrophobicContact CG1-CE2 4.46Å; V4-R20 VanDerWaalsContact CG1-CD 3.45Å
5H89.3Confident86Confident125 Ų125102.5 Ų102.558%0.57956%0.555SS**  trans-103.4129.7178-66.5-77.1000111R3 R20R3-H5 PolarHBondContact O-CD2 3.03Å; R3-H5 PolarHBondContact O-N 3.27Å; H5-R20 PolarHBondContact O-NH1 3.45Å
6Y93.3Very high86.5Confident48 Ų4896.4 Ų96.419%0.18852%0.523CS..  trans-84.1151168.8-74.7-101.8000109.3V4 T8 K18 R20 E149 I151V4-Y6 HydrophobicContact CG1-CE2 4.46Å; Y6-T8 VanDerWaalsContact C-N 3.26Å; Y6-T8 PolarHBondContact O-N 3.46Å; Y6-K18 HydrophobicContact CD1-CD 4.17Å; Y6-K18 HydrophobicContact CD2-CD 3.85Å; Y6-K18 HydrophobicContact CE1-CB 3.82Å; Y6-K18 HydrophobicContact CE1-CD 4.1Å; Y6-K18 HydrophobicContact CE1-CG 4.38Å; Y6-K18 HydrophobicContact CE2-CB 4.25Å; Y6-K18 HydrophobicContact CE2-CD 3.78Å; Y6-K18 HydrophobicContact CG-CD 4.06Å; Y6-K18 WeakPolarHBondContact OH-CB 3.41Å; Y6-R20 HydrophobicContact CE1-CB 4.42Å; Y6-E149 WeakPolarHBondContact CA-OE2 3.21Å; Y6-E149 HydrophobicContact CD1-CB 3.85Å; Y6-E149 HydrophobicContact CE1-CB 3.87Å; Y6-I151 HydrophobicContact CD1-CG1 4.37Å
7S92.5Very high87Confident67 Ų6790.8 Ų90.847%0.46949%0.492SS..SBendtrans-73.2-19.9178.565.60000114.1H118 E149S7-H118 PolarHBondContact OG-NE2 2.96Å; S7-H118 VanDerWaalsContact OG-NE2 3.13Å; S7-E149 WeakPolarHBondContact CB-OE1 3.34Å; S7-E149 PolarHBondContact N-OE1 3.5Å; S7-E149 VanDerWaalsContact N-OE1 3.15Å; S7-E149 PolarHBondContact N-OE2 3.02Å; S7-E149 PolarHBondContact OG-OE1 3.42Å
8T93.6Very high87.5Confident64 Ų6488.6 Ų88.639%0.39348%0.477SS..SBendtrans-138.9143179.5-520000108.8Y6 H118 I151Y6-T8 VanDerWaalsContact C-N 3.26Å; Y6-T8 PolarHBondContact O-N 3.46Å; T8-H118 PolarHBondContact OG1-CE1 3.04Å; T8-H118 VanDerWaalsContact OG1-CE1 3.25Å; T8-I151 WeakPolarHBondContact O-CD1 3.41Å
9E93.1Very high88Confident120 Ų12084 Ų8456%0.56145%0.453SS*.  trans-98.7143.2171.1-70.6-62.2133.900110.3K18E9-K18 IonicContact OE1-NZ 3.45Å; E9-K18 PolarHBondContact OE1-NZ 3.02Å; E9-K18 IonicContact OE2-NZ 3.78Å; E9-K18 PolarHBondContact OE2-NZ 3.4Å
10P92.9Very high88.3Confident22 Ų2283.2 Ų83.214%0.14344%0.443CS..  trans-67146.5174.628.3-32.3000110.4N12 A13 S16 K18 I151P10-N12 VanDerWaalsContact C-N 3.26Å; P10-N12 PolarHBondContact O-N 3.13Å; P10-A13 HydrophobicContact CG-CB 4.36Å; P10-S16 VanDerWaalsContact CB-OG 3.28Å; P10-S16 WeakPolarHBondContact CB-OG 3.27Å; P10-K18 VanDerWaalsContact CD-CE 3.48Å; P10-I151 HydrophobicContact CB-CG2 4.05Å
11E89.8Confident88.7Confident173 Ų17379.8 Ų79.881%0.80843%0.428SS*.SBendtrans-57.8-41.4174.5-67.4166.4164.500111.5K153E11-K153 IonicContact OE2-NZ 3.25Å
12N90.2Very high90.8Very high62 Ų6271 Ų7133%0.33239%0.391SS..  trans-124.4105.5174.6-173.6-17.3000110.4P10 A14 K15 S16P10-N12 VanDerWaalsContact C-N 3.26Å; P10-N12 PolarHBondContact O-N 3.13Å; N12-A14 VanDerWaalsContact C-N 3.29Å; N12-A14 PolarHBondContact O-N 3.31Å; N12-A14 WeakPolarHBondContact OD1-CB 3.3Å; N12-A14 PolarHBondContact OD1-N 3.45Å; N12-K15 HydrophobicContact CB-CB 4.44Å; N12-K15 PolarHBondContact O-N 3.19Å; N12-K15 PolarHBondContact OD1-N 3.4Å; N12-S16 VanDerWaalsContact O-CB 3.3Å; N12-S16 WeakPolarHBondContact O-CB 3.43Å; N12-S16 PolarHBondContact O-N 3.04Å; N12-S16 PolarHBondContact O-OG 2.79Å
13A91.8Very high92.2Very high64 Ų6472.4 Ų72.453%0.52938%0.382SS..SBendtrans-67.6-26.4-178.600000113.9P10P10-A13 HydrophobicContact CG-CB 4.36Å
14A92.2Very high93.1Very high75 Ų7563.7 Ų63.762%0.6235%0.351SS*.THydrogen-bonded Turntrans-70.9-43.8177.800000110.8N12 S16N12-A14 VanDerWaalsContact C-N 3.29Å; N12-A14 PolarHBondContact O-N 3.31Å; N12-A14 WeakPolarHBondContact OD1-CB 3.3Å; N12-A14 PolarHBondContact OD1-N 3.45Å; A14-S16 VanDerWaalsContact C-N 3.26Å; A14-S16 PolarHBondContact O-N 2.74Å
15K93.8Very high93.7Very high93 Ų9366.5 Ų66.540%0.40435%0.352SS..THydrogen-bonded Turntrans-88.723.9179.1-65-164.1172.8-1640114.6N12 K153 E154N12-K15 HydrophobicContact CB-CB 4.44Å; N12-K15 PolarHBondContact O-N 3.19Å; N12-K15 PolarHBondContact OD1-N 3.4Å; K15-K153 WeakPolarHBondContact O-CA 3.47Å; K15-E154 HydrophobicContact CB-CB 4.34Å; K15-E154 PolarHBondContact O-N 3.04Å
16S94.8Very high94Very high5 Ų560.8 Ų60.84%0.03533%0.326CS..EExtended strand (participates in β ladder)trans-137.8145.3-177.6-59.60000112.4P10 N12 A14 K107 L152P10-S16 VanDerWaalsContact CB-OG 3.28Å; P10-S16 WeakPolarHBondContact CB-OG 3.27Å; N12-S16 VanDerWaalsContact O-CB 3.3Å; N12-S16 WeakPolarHBondContact O-CB 3.43Å; N12-S16 PolarHBondContact O-N 3.04Å; N12-S16 PolarHBondContact O-OG 2.79Å; A14-S16 VanDerWaalsContact C-N 3.26Å; A14-S16 PolarHBondContact O-N 2.74Å; S16-K107 PolarHBondContact O-NZ 3.48Å; S16-L152 CarbonylContact C-O 3.4Å; S16-L152 WeakPolarHBondContact CA-O 3.43Å; S16-L152 VanDerWaalsContact CB-O 3.32Å; S16-L152 WeakPolarHBondContact CB-O 3.31Å
17C95.1Very high94.3Very high0 Ų062.9 Ų62.90%034%0.337CS..EExtended strand (participates in β ladder)trans-118.5156.9169.679.50000110.6A100 N103 A104 K107 L109 I151 L152C17-A100 PolarHBondContact SG-O 3.37Å; C17-N103 HydrophobicContact CB-CB 4.33Å; C17-A104 HydrophobicContact CB-CB 4.12Å; C17-K107 HydrophobicContact CB-CD 4.46Å; C17-L109 HydrophobicContact CB-CD1 4.26Å; C17-I151 WeakPolarHBondContact O-CA 3.39Å; C17-L152 PolarHBondContact N-O 2.74Å; C17-L152 PolarHBondContact O-N 3.43Å; C17-L152 VanDerWaalsContact SG-CB 3.59Å
18K95.5Very high94.5Very high51 Ų5161.8 Ų61.822%0.22232%0.324CS..EExtended strand (participates in β ladder)trans-128149.1-178.8-55.5-174.1-178.9177.10109.8Y6 E9 P10 N103 V150 I151Y6-K18 HydrophobicContact CD1-CD 4.17Å; Y6-K18 HydrophobicContact CD2-CD 3.85Å; Y6-K18 HydrophobicContact CE1-CB 3.82Å; Y6-K18 HydrophobicContact CE1-CD 4.1Å; Y6-K18 HydrophobicContact CE1-CG 4.38Å; Y6-K18 HydrophobicContact CE2-CB 4.25Å; Y6-K18 HydrophobicContact CE2-CD 3.78Å; Y6-K18 HydrophobicContact CG-CD 4.06Å; Y6-K18 WeakPolarHBondContact OH-CB 3.41Å; E9-K18 IonicContact OE1-NZ 3.45Å; E9-K18 PolarHBondContact OE1-NZ 3.02Å; E9-K18 IonicContact OE2-NZ 3.78Å; E9-K18 PolarHBondContact OE2-NZ 3.4Å; P10-K18 VanDerWaalsContact CD-CE 3.48Å; K18-N103 PolarHBondContact O-ND2 3.34Å; K18-V150 WeakPolarHBondContact CA-O 3.24Å; K18-I151 HydrophobicContact CG-CG1 4.22Å; K18-I151 HydrophobicContact CG-CG2 4.46Å
19A96.3Very high94.7Very high2 Ų263.5 Ų63.52%0.01733%0.326CS..EExtended strand (participates in β ladder)trans-142.9149.9168.900000109.9L96 A100 E149 V150A19-L96 HydrophobicContact CB-CD1 3.73Å; A19-L96 HydrophobicContact CB-CG 4.28Å; A19-A100 HydrophobicContact CB-CB 3.73Å; A19-E149 WeakPolarHBondContact O-CA 3.49Å; A19-V150 PolarHBondContact N-O 3.3Å; A19-V150 PolarHBondContact O-N 2.97Å
20R95.7Very high95Very high67 Ų6759.8 Ų59.825%0.25331%0.31SS..EExtended strand (participates in β ladder)trans-143.1146.9179.5-171.5-178.1179.7141.32.9110.6V4 H5 Y6 L148 E149V4-R20 VanDerWaalsContact CG1-CD 3.45Å; H5-R20 PolarHBondContact O-NH1 3.45Å; Y6-R20 HydrophobicContact CE1-CB 4.42Å; R20-L148 CarbonylContact C-O 3.53Å; R20-L148 VanDerWaalsContact CA-O 3.25Å; R20-L148 WeakPolarHBondContact CA-O 3.39Å; R20-L148 WeakPolarHBondContact CG-O 3.46Å; R20-E149 HydrophobicContact CG-CB 4.45Å
21G95Very high95.2Very high13 Ų1358.7 Ų58.713%0.13430%0.303CS..EExtended strand (participates in β ladder)trans-129.513116400000110.3H147 L148G21-H147 CarbonylContact O-C 3.58Å; G21-H147 WeakPolarHBondContact O-CA 3.4Å; G21-L148 PolarHBondContact N-O 3.36Å; G21-L148 PolarHBondContact O-N 3.4Å
22S94.7Very high95.6Very high63 Ų6351.7 Ų51.744%0.44127%0.269SS..EExtended strand (participates in β ladder)trans-107.6146.9179.8-68.10000111.1L24 H147S22-L24 PolarHBondContact O-N 3.18Å; S22-L24 VanDerWaalsContact O-N 3.12Å; S22-H147 WeakPolarHBondContact CA-ND1 3.41Å
23D94.9Very high96Very high98 Ų9848.8 Ų48.852%0.52425%0.254SS..EExtended strand (participates in β ladder)trans54.334174.6-59.8-64000114.4R25 H147D23-R25 PolarHBondContact O-N 3.01Å; D23-H147 PolarHBondContact N-ND1 2.82Å; D23-H147 IonicContact OD1-CE1 3.5Å; D23-H147 PolarHBondContact OD1-CE1 2.95Å; D23-H147 VanDerWaalsContact OD1-CE1 3.25Å; D23-H147 IonicContact OD1-NE2 2.84Å; D23-H147 IonicContact OD2-CE1 3.64Å
24L96.4Very high96.3Very high34 Ų3445.8 Ų45.818%0.17823%0.229CC..EExtended strand (participates in β ladder)trans-68.7127.4-177.9-58.3175.1000110S22 V26 F92 P145 C146 L148S22-L24 PolarHBondContact O-N 3.18Å; S22-L24 VanDerWaalsContact O-N 3.12Å; L24-V26 HydrophobicContact CB-CG2 4.19Å; L24-V26 PolarHBondContact O-N 3.47Å; L24-F92 HydrophobicContact CB-CD1 4.08Å; L24-F92 HydrophobicContact CB-CE1 4.14Å; L24-F92 HydrophobicContact CD1-CD1 4.15Å; L24-F92 HydrophobicContact CD2-CD1 4.06Å; L24-F92 HydrophobicContact CD2-CE1 4.04Å; L24-F92 HydrophobicContact CG-CD1 4.33Å; L24-P145 VanDerWaalsContact O-CA 3.23Å; L24-P145 WeakPolarHBondContact O-CA 3.39Å; L24-P145 WeakPolarHBondContact O-CB 3.48Å; L24-C146 WeakPolarHBondContact CB-O 3.43Å; L24-C146 PolarHBondContact N-O 2.9Å; L24-C146 PolarHBondContact O-N 2.92Å; L24-L148 HydrophobicContact CD1-CB 4.08Å; L24-L148 HydrophobicContact CD1-CD1 3.43Å; L24-L148 VanDerWaalsContact CD1-CD1 3.43Å; L24-L148 HydrophobicContact CD1-CG 3.7Å
25R96.2Very high96.6Very high151 Ų15142.3 Ų42.357%0.5720%0.2SC*.  trans-7957.8-178.4-162.8176.7176.8-177.4-0.8112.4D23 K88D23-R25 PolarHBondContact O-N 3.01Å; R25-K88 WeakPolarHBondContact O-CE 3.28Å; R25-K88 PolarHBondContact O-NZ 2.89Å
26V97.2Very high96.7Very high5 Ų544 Ų443%0.0320%0.204CC..SBendtrans-125157.6173.3-64.30000110.3L24 F28 T31 K88 F92 C146L24-V26 HydrophobicContact CB-CG2 4.19Å; L24-V26 PolarHBondContact O-N 3.47Å; V26-F28 PolarHBondContact O-N 3.28Å; V26-F28 VanDerWaalsContact O-N 3.15Å; V26-T31 HydrophobicContact CG2-CG2 4.26Å; V26-T31 WeakPolarHBondContact CG2-OG1 3.47Å; V26-K88 HydrophobicContact CG1-CD 4.08Å; V26-K88 HydrophobicContact CG1-CG 3.95Å; V26-F92 HydrophobicContact CG1-CB 4.07Å; V26-F92 HydrophobicContact CG1-CD1 3.83Å; V26-F92 HydrophobicContact CG1-CD2 3.23Å; V26-F92 HydrophobicContact CG1-CE1 4.02Å; V26-F92 HydrophobicContact CG1-CE2 3.44Å; V26-F92 VanDerWaalsContact CG1-CE2 3.44Å; V26-F92 HydrophobicContact CG1-CG 3.42Å; V26-F92 VanDerWaalsContact CG1-CG 3.42Å; V26-F92 HydrophobicContact CG1-CZ 3.83Å; V26-C146 WeakPolarHBondContact CG2-SG 3.44Å
27H97.7Very high96.8Very high91 Ų9144.7 Ų44.742%0.42121%0.208SC..  trans-75.7107.7-173.4-169.2-67.1000111.1K29 N30 T31H27-K29 VanDerWaalsContact C-N 3.28Å; H27-K29 PolarHBondContact ND1-N 3.41Å; H27-K29 PolarHBondContact O-N 2.99Å; H27-N30 HydrophobicContact CB-CB 4.38Å; H27-N30 PolarHBondContact O-N 3.41Å; H27-T31 PolarHBondContact O-N 3.15Å; H27-T31 VanDerWaalsContact O-N 3.1Å; H27-T31 PolarHBondContact O-OG1 3.37Å
28F97.9Very high96.9Very high45 Ų4544.7 Ų44.720%0.19721%0.208CC..Hα-helixtrans-37.7-52.2-178169.9-107000114.6V26 N30 T31 R32 F65 V121 Q122 A123 S144 C146V26-F28 PolarHBondContact O-N 3.28Å; V26-F28 VanDerWaalsContact O-N 3.15Å; F28-N30 PolarHBondContact O-N 3Å; F28-T31 PolarHBondContact O-N 3.01Å; F28-R32 WeakPolarHBondContact O-CB 3.34Å; F28-R32 PolarHBondContact O-N 3.2Å; F28-F65 HydrophobicContact CE1-CE2 4.16Å; F28-F65 AromaticContact CE1-CZ 3.93Å; F28-F65 HydrophobicContact CE1-CZ 3.93Å; F28-V121 HydrophobicContact CD2-CG1 3.81Å; F28-V121 HydrophobicContact CE2-CG1 3.96Å; F28-V121 WeakPolarHBondContact CE2-O 3.32Å; F28-Q122 VanDerWaalsContact CE2-C 3.44Å; F28-A123 HydrophobicContact CD2-CB 4.11Å; F28-A123 HydrophobicContact CE2-CB 4.13Å; F28-A123 VanDerWaalsContact CE2-N 3.35Å; F28-A123 HydrophobicContact CG-CB 4.34Å; F28-A123 HydrophobicContact CZ-CB 4.36Å; F28-S144 PolarHBondContact N-O 2.97Å; F28-S144 VanDerWaalsContact N-O 3.09Å; F28-C146 HydrophobicContact CB-CB 4.25Å; F28-C146 HydrophobicContact CD2-CB 3.95Å
29K98.1Very high96.9Very high99 Ų9949 Ų4943%0.4322%0.223SC..Hα-helixtrans-60.5-44.4-177.7-60.9-173.1176.1177.60113.1H27 T31 R32 E33 F65H27-K29 VanDerWaalsContact C-N 3.28Å; H27-K29 PolarHBondContact ND1-N 3.41Å; H27-K29 PolarHBondContact O-N 2.99Å; K29-T31 VanDerWaalsContact C-N 3.34Å; K29-R32 PolarHBondContact O-N 3.35Å; K29-E33 WeakPolarHBondContact O-CG 3.45Å; K29-E33 PolarHBondContact O-N 3.5Å; K29-E33 VanDerWaalsContact O-N 3.16Å; K29-F65 HydrophobicContact CB-CB 4.09Å; K29-F65 HydrophobicContact CB-CD1 4.42Å; K29-F65 HydrophobicContact CB-CD2 3.4Å; K29-F65 VanDerWaalsContact CB-CD2 3.4Å; K29-F65 HydrophobicContact CB-CE2 3.81Å; K29-F65 HydrophobicContact CB-CG 3.73Å; K29-F65 HydrophobicContact CD-CB 4.08Å; K29-F65 HydrophobicContact CD-CD1 3.58Å; K29-F65 HydrophobicContact CD-CD2 4.15Å; K29-F65 HydrophobicContact CD-CE1 3.98Å; K29-F65 HydrophobicContact CD-CE2 4.45Å; K29-F65 HydrophobicContact CD-CG 3.68Å; K29-F65 HydrophobicContact CD-CZ 4.39Å; K29-F65 HydrophobicContact CG-CB 4.4Å; K29-F65 HydrophobicContact CG-CD1 3.9Å; K29-F65 HydrophobicContact CG-CD2 3.63Å; K29-F65 HydrophobicContact CG-CE1 3.98Å; K29-F65 HydrophobicContact CG-CE2 3.68Å; K29-F65 HydrophobicContact CG-CG 3.72Å; K29-F65 HydrophobicContact CG-CZ 3.87Å
30N98.2Very high96.8Very high42 Ų4254.6 Ų54.623%0.22525%0.252CS..Hα-helixtrans-67.2-42.7-179.5-66.6-12.8000109.9H27 F28 R32 E33 T34 F62 P86 S89H27-N30 HydrophobicContact CB-CB 4.38Å; H27-N30 PolarHBondContact O-N 3.41Å; F28-N30 PolarHBondContact O-N 3Å; N30-R32 VanDerWaalsContact C-N 3.34Å; N30-R32 PolarHBondContact O-N 3.4Å; N30-E33 PolarHBondContact O-N 2.62Å; N30-T34 PolarHBondContact O-N 2.99Å; N30-T34 PolarHBondContact O-OG1 3.37Å; N30-T34 VanDerWaalsContact O-OG1 3.09Å; N30-F62 HydrophobicContact CB-CZ 4.47Å; N30-F62 WeakPolarHBondContact OD1-CE1 3.17Å; N30-P86 HydrophobicContact CB-CB 3.85Å; N30-S89 WeakPolarHBondContact CB-OG 3.37Å
31T98.4Very high96.8Very high0 Ų052.7 Ų52.70%025%0.247CC..Hα-helixtrans-66.6-36.3-179.3-42.90000112.1V26 H27 F28 K29 T34 A35 S89 L93 V121 L148V26-T31 HydrophobicContact CG2-CG2 4.26Å; V26-T31 WeakPolarHBondContact CG2-OG1 3.47Å; H27-T31 PolarHBondContact O-N 3.15Å; H27-T31 VanDerWaalsContact O-N 3.1Å; H27-T31 PolarHBondContact O-OG1 3.37Å; F28-T31 PolarHBondContact O-N 3.01Å; K29-T31 VanDerWaalsContact C-N 3.34Å; T31-T34 VanDerWaalsContact C-OG1 3.3Å; T31-T34 WeakPolarHBondContact CA-OG1 3.38Å; T31-T34 PolarHBondContact O-OG1 3.01Å; T31-A35 WeakPolarHBondContact O-CB 3.41Å; T31-A35 PolarHBondContact O-N 2.88Å; T31-S89 PolarHBondContact N-OG 3.22Å; T31-S89 PolarHBondContact OG1-OG 3.14Å; T31-L93 HydrophobicContact CG2-CD1 4.38Å; T31-L93 HydrophobicContact CG2-CG 4.34Å; T31-V121 HydrophobicContact CG2-CG1 4.4Å; T31-V121 HydrophobicContact CG2-CG2 4.49Å; T31-L148 HydrophobicContact CG2-CD1 3.98Å; T31-L148 HydrophobicContact CG2-CD2 3.56Å; T31-L148 HydrophobicContact CG2-CG 4.32Å
32R98Very high96.9Very high25 Ų2555.3 Ų55.39%0.09426%0.26CS..Hα-helixtrans-63-46.8172.2-173.8-149.4166.9-95.1-8.2112F28 K29 N30 R36 R64 F65 V121F28-R32 WeakPolarHBondContact O-CB 3.34Å; F28-R32 PolarHBondContact O-N 3.2Å; K29-R32 PolarHBondContact O-N 3.35Å; N30-R32 VanDerWaalsContact C-N 3.34Å; N30-R32 PolarHBondContact O-N 3.4Å; R32-R36 WeakPolarHBondContact O-CB 3.5Å; R32-R36 PolarHBondContact O-N 2.86Å; R32-R64 VanDerWaalsContact CZ-CD 3.5Å; R32-R64 VanDerWaalsContact CZ-CZ 3.48Å; R32-R64 VanDerWaalsContact NH2-NE 3.12Å; R32-F65 HydrophobicContact CB-CE2 4.31Å; R32-F65 HydrophobicContact CG-CE2 4.47Å; R32-V121 HydrophobicContact CB-CB 4.29Å; R32-V121 HydrophobicContact CB-CG1 4.46Å
33E98.2Very high97Very high2 Ų252.4 Ų52.41%0.00924%0.239CC..Hα-helixtrans-64.8-41.7179.3-61.9-56.4146.500111.1K29 N30 V37 V60 F62 R63 R64 F65K29-E33 WeakPolarHBondContact O-CG 3.45Å; K29-E33 PolarHBondContact O-N 3.5Å; K29-E33 VanDerWaalsContact O-N 3.16Å; N30-E33 PolarHBondContact O-N 2.62Å; E33-V37 WeakPolarHBondContact O-CG2 3.47Å; E33-V60 HydrophobicContact CB-CG1 4.12Å; E33-F62 HydrophobicContact CB-CD1 4.47Å; E33-F62 HydrophobicContact CB-CD2 4.27Å; E33-F62 HydrophobicContact CB-CE2 4.35Å; E33-F62 HydrophobicContact CB-CG 4.33Å; E33-F62 HydrophobicContact CB-CZ 4.49Å; E33-F62 HydrophobicContact CG-CB 4.37Å; E33-F62 HydrophobicContact CG-CD1 3.86Å; E33-F62 HydrophobicContact CG-CD2 4.42Å; E33-F62 HydrophobicContact CG-CE1 4.21Å; E33-F62 HydrophobicContact CG-CG 3.98Å; E33-R63 PolarHBondContact OE2-N 2.95Å; E33-R64 VanDerWaalsContact OE1-CB 3.3Å; E33-R64 WeakPolarHBondContact OE1-CB 3.45Å; E33-R64 PolarHBondContact OE1-N 3.38Å; E33-R64 VanDerWaalsContact OE1-N 3.1Å; E33-R64 PolarHBondContact OE2-N 3.28Å; E33-F65 HydrophobicContact CG-CD2 4.42Å; E33-F65 WeakPolarHBondContact OE1-CD2 3.49Å; E33-F65 PolarHBondContact OE1-N 3.42Å
34T98.1Very high97.1Very high0 Ų054.8 Ų54.80%024%0.241CC..Hα-helixtrans-62.9-49.8174.443.30000112.4N30 T31 R36 V37 V60 P86 L93N30-T34 PolarHBondContact O-N 2.99Å; N30-T34 PolarHBondContact O-OG1 3.37Å; N30-T34 VanDerWaalsContact O-OG1 3.09Å; T31-T34 VanDerWaalsContact C-OG1 3.3Å; T31-T34 WeakPolarHBondContact CA-OG1 3.38Å; T31-T34 PolarHBondContact O-OG1 3.01Å; T34-R36 VanDerWaalsContact C-N 3.29Å; T34-R36 PolarHBondContact O-N 2.94Å; T34-V37 WeakPolarHBondContact O-CB 3.48Å; T34-V37 PolarHBondContact O-N 3.11Å; T34-V37 VanDerWaalsContact O-N 3.15Å; T34-V60 HydrophobicContact CG2-CB 4.32Å; T34-V60 HydrophobicContact CG2-CG1 3.91Å; T34-V60 HydrophobicContact CG2-CG2 3.63Å; T34-P86 HydrophobicContact CG2-CB 4.38Å; T34-P86 HydrophobicContact CG2-CG 3.27Å; T34-L93 WeakPolarHBondContact OG1-CD1 3.44Å
35A97.8Very high97.1Very high2 Ų256.9 Ų56.92%0.01725%0.247CC..Hα-helixtrans-61.3-39.9-176.300000111.6T31 V37 L38 L93 I119 V121T31-A35 WeakPolarHBondContact O-CB 3.41Å; T31-A35 PolarHBondContact O-N 2.88Å; A35-V37 PolarHBondContact O-N 2.93Å; A35-L38 PolarHBondContact O-N 3.26Å; A35-L38 VanDerWaalsContact O-N 3.08Å; A35-L93 HydrophobicContact CB-CD1 4.32Å; A35-L93 HydrophobicContact CB-CD2 4.39Å; A35-I119 HydrophobicContact CB-CD1 3.61Å; A35-I119 HydrophobicContact CB-CG1 3.89Å; A35-I119 VanDerWaalsContact O-CG2 3.22Å; A35-I119 WeakPolarHBondContact O-CG2 3.32Å; A35-V121 HydrophobicContact CB-CG2 3.37Å
36R96.7Very high97.2Very high130 Ų13049.7 Ų49.749%0.49122%0.22SC..Hα-helixtrans-60.5-30.8179.5-172.3172.6-173.1-144.62.1112.9R32 T34R32-R36 WeakPolarHBondContact O-CB 3.5Å; R32-R36 PolarHBondContact O-N 2.86Å; T34-R36 VanDerWaalsContact C-N 3.29Å; T34-R36 PolarHBondContact O-N 2.94Å
37V96.9Very high97.2Very high18 Ų1850.5 Ų50.511%0.10923%0.225CC..Hα-helixtrans-70.7-34.9178.2178.20000111.4E33 T34 A35 R39 M41 Y49 V60 P61 W78E33-V37 WeakPolarHBondContact O-CG2 3.47Å; T34-V37 WeakPolarHBondContact O-CB 3.48Å; T34-V37 PolarHBondContact O-N 3.11Å; T34-V37 VanDerWaalsContact O-N 3.15Å; A35-V37 PolarHBondContact O-N 2.93Å; V37-R39 PolarHBondContact O-N 2.94Å; V37-M41 HydrophobicContact CG1-CE 3.81Å; V37-M41 VanDerWaalsContact O-CE 3.32Å; V37-M41 WeakPolarHBondContact O-CE 3.37Å; V37-Y49 HydrophobicContact CB-CE1 4.24Å; V37-Y49 HydrophobicContact CG1-CD1 4.43Å; V37-Y49 HydrophobicContact CG1-CE1 3.68Å; V37-Y49 HydrophobicContact CG1-CE2 4.31Å; V37-V60 HydrophobicContact CG2-CG1 4.27Å; V37-P61 HydrophobicContact CG2-CG 3.8Å; V37-W78 HydrophobicContact CG1-CH2 3.35Å; V37-W78 HydrophobicContact CG1-CZ2 3.68Å; V37-W78 HydrophobicContact CG1-CZ3 3.84Å
38L97.1Very high97.2Very high0 Ų049.6 Ų49.60%023%0.225CC..Hα-helixtrans-73.1-16.8-176.8-56.4179.9000113.6A35 N40 M41 A46 Y49 L50 L93 L97 I116 I119A35-L38 PolarHBondContact O-N 3.26Å; A35-L38 VanDerWaalsContact O-N 3.08Å; L38-N40 PolarHBondContact O-N 2.88Å; L38-M41 HydrophobicContact CD2-SD 4.2Å; L38-M41 WeakPolarHBondContact O-CB 3.36Å; L38-M41 PolarHBondContact O-N 2.93Å; L38-M41 VanDerWaalsContact O-N 3.1Å; L38-A46 HydrophobicContact CD2-CB 4.05Å; L38-Y49 HydrophobicContact CD2-CD1 3.63Å; L38-Y49 HydrophobicContact CD2-CE1 4.21Å; L38-L50 HydrophobicContact CD1-CD1 3.95Å; L38-L50 HydrophobicContact CD1-CD2 4.15Å; L38-L50 HydrophobicContact CD1-CG 4.28Å; L38-L50 HydrophobicContact CD2-CD2 4.09Å; L38-L50 HydrophobicContact CD2-CG 4.06Å; L38-L93 HydrophobicContact CD1-CB 4.42Å; L38-L93 HydrophobicContact CD1-CD1 4.08Å; L38-L97 HydrophobicContact CD1-CD1 4.4Å; L38-I116 HydrophobicContact CB-CD1 3.93Å; L38-I119 HydrophobicContact CD1-CD1 4.21Å
39R94.7Very high97.2Very high142 Ų14247.4 Ų47.454%0.53622%0.216SC..THydrogen-bonded Turntrans-59.6131.6-178.4-168.8176.5-176.4-168.50.9110.3V37 M41 I119V37-R39 PolarHBondContact O-N 2.94Å; R39-M41 PolarHBondContact O-N 3.31Å; R39-I119 HydrophobicContact CB-CG2 4.02Å
40N94.6Very high97.2Very high119 Ų11942.7 Ų42.764%0.63620%0.195SC*.THydrogen-bonded Turntrans66.313.3-177-50.9-23.5000115.3L38 I116L38-N40 PolarHBondContact O-N 2.88Å; N40-I116 WeakPolarHBondContact CA-O 3.16Å; N40-I116 PolarHBondContact N-O 3.04Å
41M96.5Very high97.2Very high28 Ų2845.9 Ų45.914%0.13821%0.207CC..  trans-83.5150.6168.2-67.3-173.8170.700110.9V37 L38 R39 R45 A46 W78 I116V37-M41 HydrophobicContact CG1-CE 3.81Å; V37-M41 VanDerWaalsContact O-CE 3.32Å; V37-M41 WeakPolarHBondContact O-CE 3.37Å; L38-M41 HydrophobicContact CD2-SD 4.2Å; L38-M41 WeakPolarHBondContact O-CB 3.36Å; L38-M41 PolarHBondContact O-N 2.93Å; L38-M41 VanDerWaalsContact O-N 3.1Å; R39-M41 PolarHBondContact O-N 3.31Å; M41-R45 HydrophobicContact SD-CG 4.32Å; M41-A46 HydrophobicContact CB-CB 4.16Å; M41-W78 HydrophobicContact CE-CH2 3.62Å; M41-W78 HydrophobicContact CE-CZ3 4.42Å; M41-I116 PolarHBondContact O-N 3.27Å
42T96.8Very high97.2Very high68 Ų6847.8 Ų47.842%0.41722%0.217SC..BIsolated β-bridgetrans-62.9148.4163.163.60000109.8R44 R45 A46 L114 V115T42-R44 VanDerWaalsContact C-N 3.31Å; T42-R44 PolarHBondContact O-N 2.97Å; T42-R45 PolarHBondContact O-N 2.84Å; T42-R45 VanDerWaalsContact O-N 3.15Å; T42-R45 VanDerWaalsContact OG1-CB 3.22Å; T42-R45 WeakPolarHBondContact OG1-CB 3.36Å; T42-R45 PolarHBondContact OG1-N 3.08Å; T42-A46 WeakPolarHBondContact O-CB 3.43Å; T42-A46 PolarHBondContact O-N 3.27Å; T42-L114 WeakPolarHBondContact CA-O 3.37Å; T42-V115 HydrophobicContact CG2-CG2 4.33Å
43L96.9Very high97.2Very high1 Ų146.6 Ų46.61%0.00521%0.213CC..Hα-helixtrans-55.7-47.5-179.2-179.863.5000111.3R45 A46 V47 L97 E101 L114 L152L43-R45 PolarHBondContact O-N 2.99Å; L43-A46 WeakPolarHBondContact O-CB 3.49Å; L43-A46 PolarHBondContact O-N 3.18Å; L43-A46 VanDerWaalsContact O-N 3.17Å; L43-V47 HydrophobicContact CD1-CG2 4.35Å; L43-V47 WeakPolarHBondContact O-CG2 3.45Å; L43-V47 PolarHBondContact O-N 3.45Å; L43-L97 HydrophobicContact CD1-CB 4.06Å; L43-L97 HydrophobicContact CD1-CD1 4.42Å; L43-L97 HydrophobicContact CD1-CD2 3.94Å; L43-L97 HydrophobicContact CD1-CG 4.36Å; L43-E101 HydrophobicContact CD2-CB 4Å; L43-E101 HydrophobicContact CD2-CG 3.97Å; L43-L114 HydrophobicContact CB-CB 4.01Å; L43-L114 HydrophobicContact CD2-CB 4.22Å; L43-L114 HydrophobicContact CD2-CD1 3.81Å; L43-L114 PolarHBondContact N-O 2.67Å; L43-L152 HydrophobicContact CD1-CD1 4.04Å; L43-L152 HydrophobicContact CD2-CD1 4.1Å
44R96.2Very high97.2Very high148 Ų14849 Ų4956%0.55823%0.225SC*.Hα-helixtrans-56.3-44.4176.5-71.2178.2167.1-164.8-11112.8T42 T48 D112T42-R44 VanDerWaalsContact C-N 3.31Å; T42-R44 PolarHBondContact O-N 2.97Å; R44-T48 WeakPolarHBondContact O-CB 3.43Å; R44-T48 PolarHBondContact O-N 3.26Å; R44-T48 VanDerWaalsContact O-N 3.15Å; R44-T48 PolarHBondContact O-OG1 3.4Å; R44-D112 IonicContact CZ-OD1 3.66Å; R44-D112 IonicContact CZ-OD2 2.94Å; R44-D112 VanDerWaalsContact CZ-OD2 3.29Å; R44-D112 IonicContact NE-OD1 2.91Å; R44-D112 PolarHBondContact NE-OD1 3.03Å; R44-D112 IonicContact NH1-OD1 3.58Å; R44-D112 IonicContact NH1-OD2 3.88Å; R44-D112 IonicContact NH2-OD1 3.88Å; R44-D112 PolarHBondContact NH2-OD1 3.08Å; R44-D112 IonicContact NH2-OD2 2.56Å; R44-D112 PolarHBondContact NH2-OD2 3.36Å
45R97.1Very high97.2Very high79 Ų7951.8 Ų51.830%0.29825%0.248SC..Hα-helixtrans-67.7-42176.9176.256.1-179.3123.8-4.6111.5M41 T42 L43 T48 Y49 E58M41-R45 HydrophobicContact SD-CG 4.32Å; T42-R45 PolarHBondContact O-N 2.84Å; T42-R45 VanDerWaalsContact O-N 3.15Å; T42-R45 VanDerWaalsContact OG1-CB 3.22Å; T42-R45 WeakPolarHBondContact OG1-CB 3.36Å; T42-R45 PolarHBondContact OG1-N 3.08Å; L43-R45 PolarHBondContact O-N 2.99Å; R45-T48 PolarHBondContact O-N 3.32Å; R45-Y49 VanDerWaalsContact O-CB 3.31Å; R45-Y49 WeakPolarHBondContact O-CB 3.43Å; R45-Y49 PolarHBondContact O-N 3.46Å; R45-E58 IonicContact CZ-OE1 2.62Å; R45-E58 IonicContact CZ-OE2 3.5Å; R45-E58 IonicContact NH1-OE1 2.99Å; R45-E58 PolarHBondContact NH1-OE1 2.86Å; R45-E58 IonicContact NH1-OE2 3.44Å; R45-E58 PolarHBondContact NH1-OE2 2.87Å; R45-E58 IonicContact NH2-OE1 3.66Å; R45-E58 PolarHBondContact NH2-OE1 3.32Å; R45-E58 IonicContact NH2-OE2 2.69Å; R45-E58 PolarHBondContact NH2-OE2 3.36Å
46A97.8Very high97.2Very high0 Ų058.2 Ų58.20%028%0.276CS..Hα-helixtrans-61.9-45.1179.300000111.9L38 M41 T42 L43 Y49 L50 L97 I116L38-A46 HydrophobicContact CD2-CB 4.05Å; M41-A46 HydrophobicContact CB-CB 4.16Å; T42-A46 WeakPolarHBondContact O-CB 3.43Å; T42-A46 PolarHBondContact O-N 3.27Å; L43-A46 WeakPolarHBondContact O-CB 3.49Å; L43-A46 PolarHBondContact O-N 3.18Å; L43-A46 VanDerWaalsContact O-N 3.17Å; A46-Y49 PolarHBondContact O-N 3.23Å; A46-L50 WeakPolarHBondContact O-CG 3.2Å; A46-L50 PolarHBondContact O-N 3.21Å; A46-L97 HydrophobicContact CB-CD1 4.06Å; A46-I116 HydrophobicContact CB-CD1 3.46Å; A46-I116 VanDerWaalsContact CB-CD1 3.46Å
47V97.8Very high97.3Very high22 Ų2259.3 Ų59.313%0.13328%0.284CS..Hα-helixtrans-61.4-47.5175.8171.80000110.9L43 Y49 L50 K51 L97L43-V47 HydrophobicContact CD1-CG2 4.35Å; L43-V47 WeakPolarHBondContact O-CG2 3.45Å; L43-V47 PolarHBondContact O-N 3.45Å; V47-Y49 PolarHBondContact O-N 2.74Å; V47-L50 PolarHBondContact O-N 3.06Å; V47-K51 HydrophobicContact CG1-CD 4.35Å; V47-K51 WeakPolarHBondContact O-CG 3.39Å; V47-K51 PolarHBondContact O-N 2.56Å; V47-L97 HydrophobicContact CG2-CD1 4.36Å
48T98Very high97.3Very high71 Ų7159.6 Ų59.644%0.43628%0.284SS..Hα-helixtrans-61.1-43.2176.8-610000111.7R44 R45 L50 K51 N52R44-T48 WeakPolarHBondContact O-CB 3.43Å; R44-T48 PolarHBondContact O-N 3.26Å; R44-T48 VanDerWaalsContact O-N 3.15Å; R44-T48 PolarHBondContact O-OG1 3.4Å; R45-T48 PolarHBondContact O-N 3.32Å; T48-L50 PolarHBondContact O-N 2.98Å; T48-K51 PolarHBondContact O-N 3.33Å; T48-N52 WeakPolarHBondContact O-CB 3.25Å; T48-N52 PolarHBondContact O-N 2.75Å; T48-N52 PolarHBondContact O-ND2 2.92Å
49Y98.2Very high97.3Very high0 Ų059.6 Ų59.60%028%0.284CS..Hα-helixtrans-58.3-47.8176.2176.1-101.5000111.7V37 L38 R45 A46 V47 K51 N52 V53 E58 I59 V60 W78V37-Y49 HydrophobicContact CB-CE1 4.24Å; V37-Y49 HydrophobicContact CG1-CD1 4.43Å; V37-Y49 HydrophobicContact CG1-CE1 3.68Å; V37-Y49 HydrophobicContact CG1-CE2 4.31Å; L38-Y49 HydrophobicContact CD2-CD1 3.63Å; L38-Y49 HydrophobicContact CD2-CE1 4.21Å; R45-Y49 VanDerWaalsContact O-CB 3.31Å; R45-Y49 WeakPolarHBondContact O-CB 3.43Å; R45-Y49 PolarHBondContact O-N 3.46Å; A46-Y49 PolarHBondContact O-N 3.23Å; V47-Y49 PolarHBondContact O-N 2.74Å; Y49-K51 PolarHBondContact O-N 3.21Å; Y49-N52 WeakPolarHBondContact O-CB 3.34Å; Y49-N52 PolarHBondContact O-N 3.14Å; Y49-V53 HydrophobicContact CD1-CG2 4.17Å; Y49-V53 HydrophobicContact CD2-CG2 4.46Å; Y49-V53 HydrophobicContact CE1-CG2 3.71Å; Y49-V53 HydrophobicContact CE2-CG2 3.98Å; Y49-V53 WeakPolarHBondContact O-CG2 3.12Å; Y49-V53 PolarHBondContact O-N 2.77Å; Y49-E58 WeakPolarHBondContact CA-OE2 3.38Å; Y49-E58 HydrophobicContact CD2-CB 4.13Å; Y49-E58 VanDerWaalsContact CD2-OE2 3.24Å; Y49-E58 WeakPolarHBondContact CD2-OE2 3.42Å; Y49-E58 HydrophobicContact CE2-CB 3.93Å; Y49-I59 PolarHBondContact OH-O 2.94Å; Y49-V60 HydrophobicContact CE1-CG2 4.43Å; Y49-V60 WeakPolarHBondContact OH-CA 3.46Å; Y49-V60 WeakPolarHBondContact OH-CG2 3.44Å; Y49-W78 HydrophobicContact CD2-CZ2 4.28Å; Y49-W78 HydrophobicContact CE2-CH2 4.43Å; Y49-W78 AromaticContact CE2-CZ2 3.55Å; Y49-W78 HydrophobicContact CE2-CZ2 3.55Å
50L98.3Very high97.5Very high0 Ų052.8 Ų52.80%026%0.259CS..Hα-helixtrans-63.9-41.3179.2-69.1176.2000112.3L38 A46 V47 T48 N52 V53 I54 A90 L93 L94 L97L38-L50 HydrophobicContact CD1-CD1 3.95Å; L38-L50 HydrophobicContact CD1-CD2 4.15Å; L38-L50 HydrophobicContact CD1-CG 4.28Å; L38-L50 HydrophobicContact CD2-CD2 4.09Å; L38-L50 HydrophobicContact CD2-CG 4.06Å; A46-L50 WeakPolarHBondContact O-CG 3.2Å; A46-L50 PolarHBondContact O-N 3.21Å; V47-L50 PolarHBondContact O-N 3.06Å; T48-L50 PolarHBondContact O-N 2.98Å; L50-N52 VanDerWaalsContact C-N 3.32Å; L50-N52 PolarHBondContact O-N 3.01Å; L50-V53 PolarHBondContact O-N 3.42Å; L50-I54 WeakPolarHBondContact O-CG1 3.45Å; L50-I54 PolarHBondContact O-N 3.33Å; L50-A90 HydrophobicContact CD2-CB 3.94Å; L50-L93 HydrophobicContact CD1-CB 3.85Å; L50-L93 HydrophobicContact CD2-CB 4.46Å; L50-L94 HydrophobicContact CD1-CB 4.18Å; L50-L97 HydrophobicContact CD1-CD1 3.82Å
51K98.4Very high97.6Very high109 Ų10947.2 Ų47.247%0.47423%0.229SC..Hα-helixtrans-60.2-42.3172.5-71.2177.5-179.6176.80111.4V47 T48 Y49 I54 A55 L94V47-K51 HydrophobicContact CG1-CD 4.35Å; V47-K51 WeakPolarHBondContact O-CG 3.39Å; V47-K51 PolarHBondContact O-N 2.56Å; T48-K51 PolarHBondContact O-N 3.33Å; Y49-K51 PolarHBondContact O-N 3.21Å; K51-I54 PolarHBondContact O-N 2.86Å; K51-A55 PolarHBondContact O-N 3.3Å; K51-L94 HydrophobicContact CG-CD1 3.91Å
52N98.2Very high97.7Very high39 Ų3946.1 Ų46.121%0.20922%0.223CC..Hα-helixtrans-65.6-36.9176.3-71.8-18.3000112.9T48 Y49 L50 A55 K56 K57 E58T48-N52 WeakPolarHBondContact O-CB 3.25Å; T48-N52 PolarHBondContact O-N 2.75Å; T48-N52 PolarHBondContact O-ND2 2.92Å; Y49-N52 WeakPolarHBondContact O-CB 3.34Å; Y49-N52 PolarHBondContact O-N 3.14Å; L50-N52 VanDerWaalsContact C-N 3.32Å; L50-N52 PolarHBondContact O-N 3.01Å; N52-A55 CarbonylContact O-C 3.52Å; N52-A55 PolarHBondContact O-N 2.7Å; N52-K56 PolarHBondContact O-N 3.29Å; N52-K57 HydrophobicContact CB-CB 4.17Å; N52-K57 PolarHBondContact O-N 2.91Å; N52-E58 HydrophobicContact CB-CB 3.92Å; N52-E58 HydrophobicContact CB-CG 3.82Å; N52-E58 WeakPolarHBondContact CB-OE2 3.37Å; N52-E58 PolarHBondContact ND2-OE2 3.1Å; N52-E58 PolarHBondContact O-N 2.84Å
53V98.2Very high97.7Very high0 Ų047.8 Ų47.80%022%0.222CC..Hα-helixtrans-63.6-42173.9170.30000111Y49 L50 A55 K56 E58 V60 W85 A90Y49-V53 HydrophobicContact CD1-CG2 4.17Å; Y49-V53 HydrophobicContact CD2-CG2 4.46Å; Y49-V53 HydrophobicContact CE1-CG2 3.71Å; Y49-V53 HydrophobicContact CE2-CG2 3.98Å; Y49-V53 WeakPolarHBondContact O-CG2 3.12Å; Y49-V53 PolarHBondContact O-N 2.77Å; L50-V53 PolarHBondContact O-N 3.42Å; V53-A55 VanDerWaalsContact C-N 3.33Å; V53-K56 PolarHBondContact O-N 3.15Å; V53-K56 VanDerWaalsContact O-N 3.12Å; V53-E58 WeakPolarHBondContact CA-O 3.45Å; V53-V60 HydrophobicContact CB-CG2 4.49Å; V53-V60 HydrophobicContact CG1-CG2 3.78Å; V53-V60 HydrophobicContact CG2-CG2 3.83Å; V53-W85 HydrophobicContact CG1-CB 4.38Å; V53-A90 HydrophobicContact CG1-CB 4.29Å
54I98.1Very high97.7Very high52 Ų5255.6 Ų55.627%0.26725%0.251SS..Hα-helixtrans-62.1-42.8175.1-66.4165.3000110.5L50 K51 K56 K87 A90 E91L50-I54 WeakPolarHBondContact O-CG1 3.45Å; L50-I54 PolarHBondContact O-N 3.33Å; K51-I54 PolarHBondContact O-N 2.86Å; I54-K56 PolarHBondContact O-N 2.5Å; I54-K87 HydrophobicContact CG1-CG 4.46Å; I54-K87 HydrophobicContact CG2-CG 4.32Å; I54-A90 HydrophobicContact CD1-CB 4.25Å; I54-A90 HydrophobicContact CG1-CB 3.88Å; I54-E91 HydrophobicContact CD1-CG 3.85Å; I54-E91 HydrophobicContact CG1-CG 4.46Å
55A98Very high97.7Very high59 Ų5951 Ų5149%0.48824%0.236SC..THydrogen-bonded Turntrans-77.52.617600000114.3K51 N52 V53 K57K51-A55 PolarHBondContact O-N 3.3Å; N52-A55 CarbonylContact O-C 3.52Å; N52-A55 PolarHBondContact O-N 2.7Å; V53-A55 VanDerWaalsContact C-N 3.33Å; A55-K57 HydrophobicContact CB-CD 4.41Å; A55-K57 HydrophobicContact CB-CG 4.17Å; A55-K57 PolarHBondContact O-N 3.44Å
56K97.3Very high97.6Very high138 Ų13852.1 Ų52.160%0.624%0.242SC*.THydrogen-bonded Turntrans58.119.9-176.7-54.5177.1-177.71710115.7N52 V53 I54 Q74 W85N52-K56 PolarHBondContact O-N 3.29Å; V53-K56 PolarHBondContact O-N 3.15Å; V53-K56 VanDerWaalsContact O-N 3.12Å; I54-K56 PolarHBondContact O-N 2.5Å; K56-Q74 PolarHBondContact O-NE2 3.17Å; K56-W85 HydrophobicContact CB-CD2 4.35Å; K56-W85 HydrophobicContact CB-CG 4.22Å; K56-W85 HydrophobicContact CG-CB 4.22Å; K56-W85 HydrophobicContact CG-CD2 4.25Å; K56-W85 HydrophobicContact CG-CG 3.96Å
57K97.5Very high97.5Very high153 Ų15355.6 Ų55.667%0.66528%0.279SS*.SBendtrans-79-35.6176.6-65.6-175.6178.5-1770112.2N52 A55N52-K57 HydrophobicContact CB-CB 4.17Å; N52-K57 PolarHBondContact O-N 2.91Å; A55-K57 HydrophobicContact CB-CD 4.41Å; A55-K57 HydrophobicContact CB-CG 4.17Å; A55-K57 PolarHBondContact O-N 3.44Å
58E97Very high97.4Very high23 Ų2358 Ų5811%0.10731%0.308CS..SBendtrans-122.2151.1174.6-66.9-173.8122.300110R45 Y49 N52 V53 W85R45-E58 IonicContact CZ-OE1 2.62Å; R45-E58 IonicContact CZ-OE2 3.5Å; R45-E58 IonicContact NH1-OE1 2.99Å; R45-E58 PolarHBondContact NH1-OE1 2.86Å; R45-E58 IonicContact NH1-OE2 3.44Å; R45-E58 PolarHBondContact NH1-OE2 2.87Å; R45-E58 IonicContact NH2-OE1 3.66Å; R45-E58 PolarHBondContact NH2-OE1 3.32Å; R45-E58 IonicContact NH2-OE2 2.69Å; R45-E58 PolarHBondContact NH2-OE2 3.36Å; Y49-E58 WeakPolarHBondContact CA-OE2 3.38Å; Y49-E58 HydrophobicContact CD2-CB 4.13Å; Y49-E58 VanDerWaalsContact CD2-OE2 3.24Å; Y49-E58 WeakPolarHBondContact CD2-OE2 3.42Å; Y49-E58 HydrophobicContact CE2-CB 3.93Å; N52-E58 HydrophobicContact CB-CB 3.92Å; N52-E58 HydrophobicContact CB-CG 3.82Å; N52-E58 WeakPolarHBondContact CB-OE2 3.37Å; N52-E58 PolarHBondContact ND2-OE2 3.1Å; N52-E58 PolarHBondContact O-N 2.84Å; V53-E58 WeakPolarHBondContact CA-O 3.45Å; E58-W85 PolarHBondContact O-NE1 3.07Å; E58-W85 VanDerWaalsContact O-NE1 3.1Å
59I97.9Very high97.4Very high0 Ų055 Ų550%029%0.289CS..  trans-111.5151.2-176.4-160163.2000112.2Y49 P61 K72 Q74 C75 W78 R84 W85Y49-I59 PolarHBondContact OH-O 2.94Å; I59-P61 WeakPolarHBondContact O-CD 3.4Å; I59-K72 HydrophobicContact CD1-CB 3.57Å; I59-K72 HydrophobicContact CD1-CG 3.73Å; I59-Q74 HydrophobicContact CB-CB 3.87Å; I59-Q74 HydrophobicContact CG2-CB 3.59Å; I59-C75 HydrophobicContact CG2-CB 4.48Å; I59-W78 PolarHBondContact O-NE1 3.42Å; I59-R84 WeakPolarHBondContact CG1-O 3.33Å; I59-W85 HydrophobicContact CD1-CD2 4.38Å; I59-W85 HydrophobicContact CD1-CH2 4.07Å; I59-W85 HydrophobicContact CD1-CZ2 3.76Å; I59-W85 HydrophobicContact CD1-CZ3 4.48Å; I59-W85 HydrophobicContact CG1-CD2 4.3Å; I59-W85 HydrophobicContact CG1-CZ2 4.25Å
60V98.1Very high97.3Very high0 Ų057 Ų570%031%0.31CS..EExtended strand (participates in β ladder)trans-90.5116.9170.3179.40000108.6E33 T34 V37 Y49 V53 F62 G83 R84 P86E33-V60 HydrophobicContact CB-CG1 4.12Å; T34-V60 HydrophobicContact CG2-CB 4.32Å; T34-V60 HydrophobicContact CG2-CG1 3.91Å; T34-V60 HydrophobicContact CG2-CG2 3.63Å; V37-V60 HydrophobicContact CG2-CG1 4.27Å; Y49-V60 HydrophobicContact CE1-CG2 4.43Å; Y49-V60 WeakPolarHBondContact OH-CA 3.46Å; Y49-V60 WeakPolarHBondContact OH-CG2 3.44Å; V53-V60 HydrophobicContact CB-CG2 4.49Å; V53-V60 HydrophobicContact CG1-CG2 3.78Å; V53-V60 HydrophobicContact CG2-CG2 3.83Å; V60-F62 HydrophobicContact CB-CE2 4.29Å; V60-F62 HydrophobicContact CG1-CD2 4.34Å; V60-F62 HydrophobicContact CG1-CE2 4.11Å; V60-F62 WeakPolarHBondContact O-CD2 3.38Å; V60-F62 PolarHBondContact O-N 2.9Å; V60-G83 CarbonylContact O-C 3.19Å; V60-G83 WeakPolarHBondContact O-CA 3.22Å; V60-R84 WeakPolarHBondContact CB-O 3.45Å; V60-R84 PolarHBondContact N-O 3.12Å; V60-R84 PolarHBondContact O-N 3.25Å; V60-R84 VanDerWaalsContact O-N 3.08Å; V60-P86 HydrophobicContact CB-CG 4.33Å; V60-P86 HydrophobicContact CG2-CG 4.06Å
61P97.9Very high97.3Very high2 Ų266.3 Ų66.31%0.01335%0.345CS..EExtended strand (participates in β ladder)trans-69.2126.8173.128.7-36.4000110.6V37 I59 W78 W80V37-P61 HydrophobicContact CG2-CG 3.8Å; I59-P61 WeakPolarHBondContact O-CD 3.4Å; P61-W78 HydrophobicContact CB-CB 3.97Å; P61-W78 HydrophobicContact CB-CG 4.08Å; P61-W78 HydrophobicContact CG-CB 3.95Å; P61-W78 HydrophobicContact CG-CD2 3.88Å; P61-W78 HydrophobicContact CG-CE3 4.37Å; P61-W78 HydrophobicContact CG-CG 3.65Å; P61-W80 HydrophobicContact CB-CB 4.39Å
62F98Very high97.2Very high4 Ų466.1 Ų66.12%0.01834%0.344CS..  trans-93.7105.1175.4-83.4-123.7000108.5N30 E33 V60 V69 W80 Q82 R84 P86N30-F62 HydrophobicContact CB-CZ 4.47Å; N30-F62 WeakPolarHBondContact OD1-CE1 3.17Å; E33-F62 HydrophobicContact CB-CD1 4.47Å; E33-F62 HydrophobicContact CB-CD2 4.27Å; E33-F62 HydrophobicContact CB-CE2 4.35Å; E33-F62 HydrophobicContact CB-CG 4.33Å; E33-F62 HydrophobicContact CB-CZ 4.49Å; E33-F62 HydrophobicContact CG-CB 4.37Å; E33-F62 HydrophobicContact CG-CD1 3.86Å; E33-F62 HydrophobicContact CG-CD2 4.42Å; E33-F62 HydrophobicContact CG-CE1 4.21Å; E33-F62 HydrophobicContact CG-CG 3.98Å; V60-F62 HydrophobicContact CB-CE2 4.29Å; V60-F62 HydrophobicContact CG1-CD2 4.34Å; V60-F62 HydrophobicContact CG1-CE2 4.11Å; V60-F62 WeakPolarHBondContact O-CD2 3.38Å; V60-F62 PolarHBondContact O-N 2.9Å; F62-V69 HydrophobicContact CB-CG1 4.09Å; F62-V69 HydrophobicContact CB-CG2 4.19Å; F62-V69 HydrophobicContact CD1-CG2 3.84Å; F62-V69 HydrophobicContact CG-CG1 4.22Å; F62-V69 HydrophobicContact CG-CG2 4.22Å; F62-W80 PolarHBondContact O-NE1 3.06Å; F62-Q82 PolarHBondContact N-O 3.11Å; F62-R84 HydrophobicContact CD2-CB 4.24Å; F62-R84 HydrophobicContact CD2-CG 4.42Å; F62-R84 HydrophobicContact CE2-CB 3.63Å; F62-R84 HydrophobicContact CE2-CG 4.14Å; F62-R84 HydrophobicContact CZ-CB 3.98Å; F62-R84 HydrophobicContact CZ-CG 4.29Å; F62-P86 HydrophobicContact CE2-CG 4.4Å; F62-P86 HydrophobicContact CZ-CG 4.44Å
63R96.1Very high97.1Very high103 Ų10368.1 Ų68.139%0.38937%0.366SS..SBendtrans-100-47.2-173.5-66.9-174.4173.5-163.6-1.7113.2E33 W78 W80E33-R63 PolarHBondContact OE2-N 2.95Å; R63-W78 PolarHBondContact NH2-O 2.92Å; R63-W80 HydrophobicContact CG-CD2 4.38Å
64R96.8Very high97Very high166 Ų16671.3 Ų71.363%0.62638%0.381SS*.SBendtrans-87.5-51.6179.9-175.2179.2-78.1174-4110.5R32 E33 K66R32-R64 VanDerWaalsContact CZ-CD 3.5Å; R32-R64 VanDerWaalsContact CZ-CZ 3.48Å; R32-R64 VanDerWaalsContact NH2-NE 3.12Å; E33-R64 VanDerWaalsContact OE1-CB 3.3Å; E33-R64 WeakPolarHBondContact OE1-CB 3.45Å; E33-R64 PolarHBondContact OE1-N 3.38Å; E33-R64 VanDerWaalsContact OE1-N 3.1Å; E33-R64 PolarHBondContact OE2-N 3.28Å; R64-K66 VanDerWaalsContact C-N 3.33Å; R64-K66 PolarHBondContact O-N 3.07Å; R64-K66 VanDerWaalsContact O-N 3.16Å
65F96.9Very high96.9Very high51 Ų5168.8 Ų68.822%0.22437%0.368CS..SBendtrans-92.261.4-176.6-58.8-60.3000112.3F28 K29 R32 E33 V69F28-F65 HydrophobicContact CE1-CE2 4.16Å; F28-F65 AromaticContact CE1-CZ 3.93Å; F28-F65 HydrophobicContact CE1-CZ 3.93Å; K29-F65 HydrophobicContact CB-CB 4.09Å; K29-F65 HydrophobicContact CB-CD1 4.42Å; K29-F65 HydrophobicContact CB-CD2 3.4Å; K29-F65 VanDerWaalsContact CB-CD2 3.4Å; K29-F65 HydrophobicContact CB-CE2 3.81Å; K29-F65 HydrophobicContact CB-CG 3.73Å; K29-F65 HydrophobicContact CD-CB 4.08Å; K29-F65 HydrophobicContact CD-CD1 3.58Å; K29-F65 HydrophobicContact CD-CD2 4.15Å; K29-F65 HydrophobicContact CD-CE1 3.98Å; K29-F65 HydrophobicContact CD-CE2 4.45Å; K29-F65 HydrophobicContact CD-CG 3.68Å; K29-F65 HydrophobicContact CD-CZ 4.39Å; K29-F65 HydrophobicContact CG-CB 4.4Å; K29-F65 HydrophobicContact CG-CD1 3.9Å; K29-F65 HydrophobicContact CG-CD2 3.63Å; K29-F65 HydrophobicContact CG-CE1 3.98Å; K29-F65 HydrophobicContact CG-CE2 3.68Å; K29-F65 HydrophobicContact CG-CG 3.72Å; K29-F65 HydrophobicContact CG-CZ 3.87Å; R32-F65 HydrophobicContact CB-CE2 4.31Å; R32-F65 HydrophobicContact CG-CE2 4.47Å; E33-F65 HydrophobicContact CG-CD2 4.42Å; E33-F65 WeakPolarHBondContact OE1-CD2 3.49Å; E33-F65 PolarHBondContact OE1-N 3.42Å; F65-V69 WeakPolarHBondContact O-CG2 3.23Å
66K95.6Very high96.8Very high102 Ų10274.1 Ų74.144%0.44338%0.38SS..  trans-91.3-8.4-171.567.2-179.4179.5179.10115.9R64 G68 V69 W80R64-K66 VanDerWaalsContact C-N 3.33Å; R64-K66 PolarHBondContact O-N 3.07Å; R64-K66 VanDerWaalsContact O-N 3.16Å; K66-G68 PolarHBondContact O-N 2.88Å; K66-V69 WeakPolarHBondContact O-CB 3.29Å; K66-V69 PolarHBondContact O-N 3.02Å; K66-V69 VanDerWaalsContact O-N 3.12Å; K66-W80 HydrophobicContact CD-CZ2 4.32Å
67G96.3Very high96.7Very high74 Ų7472.8 Ų72.876%0.76338%0.376SS*.THydrogen-bonded Turntrans-60.1123.7-179.800000112V69G67-V69 PolarHBondContact O-N 3Å
68G95.6Very high96.6Very high72 Ų7267.7 Ų67.774%0.74235%0.353SS*.THydrogen-bonded Turntrans67.713.8-17800000115K66 R84K66-G68 PolarHBondContact O-N 2.88Å; G68-R84 PolarHBondContact O-NH2 3.25Å
69V97.3Very high96.6Very high8 Ų876.1 Ų76.15%0.04839%0.389CS..PPolyproline II helixtrans-86.6124.5175.6-1770000109.9F62 F65 K66 G67 Q82 R84F62-V69 HydrophobicContact CB-CG1 4.09Å; F62-V69 HydrophobicContact CB-CG2 4.19Å; F62-V69 HydrophobicContact CD1-CG2 3.84Å; F62-V69 HydrophobicContact CG-CG1 4.22Å; F62-V69 HydrophobicContact CG-CG2 4.22Å; F65-V69 WeakPolarHBondContact O-CG2 3.23Å; K66-V69 WeakPolarHBondContact O-CB 3.29Å; K66-V69 PolarHBondContact O-N 3.02Å; K66-V69 VanDerWaalsContact O-N 3.12Å; G67-V69 PolarHBondContact O-N 3Å; V69-Q82 HydrophobicContact CB-CB 4.34Å; V69-Q82 HydrophobicContact CG1-CB 4.06Å; V69-Q82 PolarHBondContact O-NE2 3.1Å; V69-R84 HydrophobicContact CG1-CG 3.84Å
70G96Very high96.5Very high42 Ų4280 Ų8043%0.43340%0.404SS..PPolyproline II helixtrans-66.5155.1177.800000113.3G83G70-G83 PolarHBondContact O-N 2.91Å
71R97.3Very high96.4Very high196 Ų19683.8 Ų83.874%0.7443%0.427SS*.BIsolated β-bridgetrans-83.7145.4175-60.3176.9-174.3172.31.6110.4T81 Q82R71-T81 VanDerWaalsContact CA-O 3.23Å; R71-T81 WeakPolarHBondContact CA-O 3.23Å; R71-Q82 HydrophobicContact CG-CG 4.06Å
72K96.5Very high96.4Very high105 Ų10585.6 Ų85.646%0.45744%0.435SS..  trans-144143.2179-65.1-63.7175.5-168.60110.9I59 Q74 C75 T81 W85I59-K72 HydrophobicContact CD1-CB 3.57Å; I59-K72 HydrophobicContact CD1-CG 3.73Å; K72-Q74 VanDerWaalsContact C-N 3.3Å; K72-Q74 PolarHBondContact O-N 3.17Å; K72-C75 VanDerWaalsContact O-CB 3.31Å; K72-C75 WeakPolarHBondContact O-CB 3.37Å; K72-C75 PolarHBondContact O-N 3.1Å; K72-C75 VanDerWaalsContact O-N 3.13Å; K72-T81 PolarHBondContact N-O 3.41Å; K72-W85 HydrophobicContact CD-CH2 3.87Å; K72-W85 HydrophobicContact CD-CZ3 4.3Å; K72-W85 HydrophobicContact CG-CH2 3.94Å; K72-W85 HydrophobicContact CG-CZ3 4.34Å
73A96.4Very high96.4Very high80 Ų8085.5 Ų85.566%0.66144%0.435SS*.G310 helixtrans-61.3-36.5-17900000113C75 K76A73-C75 PolarHBondContact O-N 3.41Å; A73-C75 VanDerWaalsContact O-N 3.08Å; A73-K76 WeakPolarHBondContact O-CB 3.39Å; A73-K76 VanDerWaalsContact O-CG 3.3Å; A73-K76 WeakPolarHBondContact O-CG 3.39Å; A73-K76 PolarHBondContact O-N 3.4Å
74Q96.8Very high96.5Very high67 Ų6785.8 Ų85.831%0.31344%0.436SS..G310 helixtrans-57.9-23.5176.9-67.4-177.7-8.100113.2K56 I59 K72 K76 Q77 W85K56-Q74 PolarHBondContact O-NE2 3.17Å; I59-Q74 HydrophobicContact CB-CB 3.87Å; I59-Q74 HydrophobicContact CG2-CB 3.59Å; K72-Q74 VanDerWaalsContact C-N 3.3Å; K72-Q74 PolarHBondContact O-N 3.17Å; Q74-K76 PolarHBondContact O-N 3.38Å; Q74-Q77 PolarHBondContact O-N 2.71Å; Q74-W85 VanDerWaalsContact OE1-CE2 3.28Å
75C96Very high96.5Very high0 Ų081.3 Ų81.30%042%0.419CS..G310 helixtrans-66.2-18178.3-640000113.2I59 K72 A73 Q77 W78 W80 G83I59-C75 HydrophobicContact CG2-CB 4.48Å; K72-C75 VanDerWaalsContact O-CB 3.31Å; K72-C75 WeakPolarHBondContact O-CB 3.37Å; K72-C75 PolarHBondContact O-N 3.1Å; K72-C75 VanDerWaalsContact O-N 3.13Å; A73-C75 PolarHBondContact O-N 3.41Å; A73-C75 VanDerWaalsContact O-N 3.08Å; C75-Q77 PolarHBondContact O-N 2.95Å; C75-W78 WeakPolarHBondContact O-CA 3.38Å; C75-W78 WeakPolarHBondContact O-CB 3.42Å; C75-W78 PolarHBondContact O-N 2.93Å; C75-W80 CarbonylContact C-O 3.52Å; C75-W80 WeakPolarHBondContact CB-O 3.16Å; C75-W80 PolarHBondContact O-N 3.31Å; C75-G83 PolarHBondContact SG-N 3.13Å; C75-G83 VanDerWaalsContact SG-N 3.41Å
76K96.1Very high96.6Very high171 Ų17179.5 Ų79.574%0.74341%0.413SS*.G310 helixtrans-56.4-35.1178.5-71.7-178.8177.6-174.70112.1A73 Q74 W78 K79A73-K76 WeakPolarHBondContact O-CB 3.39Å; A73-K76 VanDerWaalsContact O-CG 3.3Å; A73-K76 WeakPolarHBondContact O-CG 3.39Å; A73-K76 PolarHBondContact O-N 3.4Å; Q74-K76 PolarHBondContact O-N 3.38Å; K76-W78 PolarHBondContact O-N 2.94Å; K76-W78 VanDerWaalsContact O-N 3.14Å; K76-K79 PolarHBondContact O-N 3.17Å
77Q94.9Very high96.7Very high109 Ų10980.3 Ų80.351%0.50942%0.417SS..G310 helixtrans-54.5-32.3173.7-176.9-1760.400112.5Q74 C75Q74-Q77 PolarHBondContact O-N 2.71Å; C75-Q77 PolarHBondContact O-N 2.95Å
78W95.2Very high96.8Very high47 Ų4781.9 Ų81.918%0.17840%0.402CS..G310 helixtrans-95.49.2-177.2-62.3102.7000113.9V37 M41 Y49 I59 P61 R63 C75 K76 W80V37-W78 HydrophobicContact CG1-CH2 3.35Å; V37-W78 HydrophobicContact CG1-CZ2 3.68Å; V37-W78 HydrophobicContact CG1-CZ3 3.84Å; M41-W78 HydrophobicContact CE-CH2 3.62Å; M41-W78 HydrophobicContact CE-CZ3 4.42Å; Y49-W78 HydrophobicContact CD2-CZ2 4.28Å; Y49-W78 HydrophobicContact CE2-CH2 4.43Å; Y49-W78 AromaticContact CE2-CZ2 3.55Å; Y49-W78 HydrophobicContact CE2-CZ2 3.55Å; I59-W78 PolarHBondContact O-NE1 3.42Å; P61-W78 HydrophobicContact CB-CB 3.97Å; P61-W78 HydrophobicContact CB-CG 4.08Å; P61-W78 HydrophobicContact CG-CB 3.95Å; P61-W78 HydrophobicContact CG-CD2 3.88Å; P61-W78 HydrophobicContact CG-CE3 4.37Å; P61-W78 HydrophobicContact CG-CG 3.65Å; R63-W78 PolarHBondContact NH2-O 2.92Å; C75-W78 WeakPolarHBondContact O-CA 3.38Å; C75-W78 WeakPolarHBondContact O-CB 3.42Å; C75-W78 PolarHBondContact O-N 2.93Å; K76-W78 PolarHBondContact O-N 2.94Å; K76-W78 VanDerWaalsContact O-N 3.14Å; W78-W80 HydrophobicContact CB-CB 4.35Å; W78-W80 PolarHBondContact O-N 3.47Å
79K96Very high96.9Very high199 Ų19978.5 Ų78.587%0.86537%0.367SS*.THydrogen-bonded Turntrans48.842.7-170.3-58-178.2-178.4-177.60111.3K76K76-K79 PolarHBondContact O-N 3.17Å
80W96.8Very high97Very high82 Ų8278.1 Ų78.131%0.31137%0.365SS..  trans-141.2167.4-176.9-159.9-114.4000110.8P61 F62 R63 K66 C75 W78P61-W80 HydrophobicContact CB-CB 4.39Å; F62-W80 PolarHBondContact O-NE1 3.06Å; R63-W80 HydrophobicContact CG-CD2 4.38Å; K66-W80 HydrophobicContact CD-CZ2 4.32Å; C75-W80 CarbonylContact C-O 3.52Å; C75-W80 WeakPolarHBondContact CB-O 3.16Å; C75-W80 PolarHBondContact O-N 3.31Å; W78-W80 HydrophobicContact CB-CB 4.35Å; W78-W80 PolarHBondContact O-N 3.47Å
81T96.8Very high97.1Very high80 Ų8079.4 Ų79.449%0.49136%0.36SS..SBendtrans-109.6-30.1-173.458.20000113.7R71 K72R71-T81 VanDerWaalsContact CA-O 3.23Å; R71-T81 WeakPolarHBondContact CA-O 3.23Å; K72-T81 PolarHBondContact N-O 3.41Å
82Q97.1Very high97.1Very high39 Ų3972.4 Ų72.418%0.18234%0.335CS..BIsolated β-bridgetrans-114.2135.8-170.2-67174.5-57.100112.7F62 V69 R71F62-Q82 PolarHBondContact N-O 3.11Å; V69-Q82 HydrophobicContact CB-CB 4.34Å; V69-Q82 HydrophobicContact CG1-CB 4.06Å; V69-Q82 PolarHBondContact O-NE2 3.1Å; R71-Q82 HydrophobicContact CG-CG 4.06Å
83G97.7Very high97.2Very high2 Ų267.4 Ų67.42%0.02131%0.313CS..EExtended strand (participates in β ladder)trans-169.4167.9-177.900000113.4V60 G70 C75V60-G83 CarbonylContact O-C 3.19Å; V60-G83 WeakPolarHBondContact O-CA 3.22Å; G70-G83 PolarHBondContact O-N 2.91Å; C75-G83 PolarHBondContact SG-N 3.13Å; C75-G83 VanDerWaalsContact SG-N 3.41Å
84R97.9Very high97.2Very high110 Ų11064.3 Ų64.342%0.41529%0.285SS..EExtended strand (participates in β ladder)trans-145.3175.3177.3-59.7-176.1172.7179.2-2.1110.6I59 V60 F62 G68 V69 P86I59-R84 WeakPolarHBondContact CG1-O 3.33Å; V60-R84 WeakPolarHBondContact CB-O 3.45Å; V60-R84 PolarHBondContact N-O 3.12Å; V60-R84 PolarHBondContact O-N 3.25Å; V60-R84 VanDerWaalsContact O-N 3.08Å; F62-R84 HydrophobicContact CD2-CB 4.24Å; F62-R84 HydrophobicContact CD2-CG 4.42Å; F62-R84 HydrophobicContact CE2-CB 3.63Å; F62-R84 HydrophobicContact CE2-CG 4.14Å; F62-R84 HydrophobicContact CZ-CB 3.98Å; F62-R84 HydrophobicContact CZ-CG 4.29Å; G68-R84 PolarHBondContact O-NH2 3.25Å; V69-R84 HydrophobicContact CG1-CG 3.84Å; R84-P86 VanDerWaalsContact C-CD 3.41Å; R84-P86 WeakPolarHBondContact O-CD 3.39Å
85W98.2Very high97.2Very high71 Ų7166.7 Ų66.727%0.26930%0.297SS..  trans-113.677.2172.7-55.3-88.3000110.6V53 K56 E58 I59 K72 Q74 K87V53-W85 HydrophobicContact CG1-CB 4.38Å; K56-W85 HydrophobicContact CB-CD2 4.35Å; K56-W85 HydrophobicContact CB-CG 4.22Å; K56-W85 HydrophobicContact CG-CB 4.22Å; K56-W85 HydrophobicContact CG-CD2 4.25Å; K56-W85 HydrophobicContact CG-CG 3.96Å; E58-W85 PolarHBondContact O-NE1 3.07Å; E58-W85 VanDerWaalsContact O-NE1 3.1Å; I59-W85 HydrophobicContact CD1-CD2 4.38Å; I59-W85 HydrophobicContact CD1-CH2 4.07Å; I59-W85 HydrophobicContact CD1-CZ2 3.76Å; I59-W85 HydrophobicContact CD1-CZ3 4.48Å; I59-W85 HydrophobicContact CG1-CD2 4.3Å; I59-W85 HydrophobicContact CG1-CZ2 4.25Å; K72-W85 HydrophobicContact CD-CH2 3.87Å; K72-W85 HydrophobicContact CD-CZ3 4.3Å; K72-W85 HydrophobicContact CG-CH2 3.94Å; K72-W85 HydrophobicContact CG-CZ3 4.34Å; Q74-W85 VanDerWaalsContact OE1-CE2 3.28Å; W85-K87 VanDerWaalsContact C-N 3.27Å; W85-K87 PolarHBondContact O-N 3.21Å
86P97.9Very high97.3Very high13 Ų1367.3 Ų67.38%0.08430%0.3CS..  trans-73.177.8-177.831.9-37.6000111.9N30 T34 V60 F62 R84 K88 S89 A90N30-P86 HydrophobicContact CB-CB 3.85Å; T34-P86 HydrophobicContact CG2-CB 4.38Å; T34-P86 HydrophobicContact CG2-CG 3.27Å; V60-P86 HydrophobicContact CB-CG 4.33Å; V60-P86 HydrophobicContact CG2-CG 4.06Å; F62-P86 HydrophobicContact CE2-CG 4.4Å; F62-P86 HydrophobicContact CZ-CG 4.44Å; R84-P86 VanDerWaalsContact C-CD 3.41Å; R84-P86 WeakPolarHBondContact O-CD 3.39Å; P86-K88 PolarHBondContact O-N 2.91Å; P86-S89 PolarHBondContact O-N 3Å; P86-A90 PolarHBondContact O-N 3.35Å
87K98.3Very high97.4Very high120 Ų12059.1 Ų59.152%0.52226%0.264SS..Hα-helixtrans-45.6-54.8-177179.1175.3174.8179.30113.4I54 W85 S89 A90 E91I54-K87 HydrophobicContact CG1-CG 4.46Å; I54-K87 HydrophobicContact CG2-CG 4.32Å; W85-K87 VanDerWaalsContact C-N 3.27Å; W85-K87 PolarHBondContact O-N 3.21Å; K87-S89 VanDerWaalsContact C-N 3.3Å; K87-S89 PolarHBondContact O-N 2.96Å; K87-A90 WeakPolarHBondContact O-CB 3.27Å; K87-A90 PolarHBondContact O-N 2.82Å; K87-A90 VanDerWaalsContact O-N 3.07Å; K87-E91 WeakPolarHBondContact CE-OE1 3.47Å; K87-E91 WeakPolarHBondContact CG-OE1 3.42Å; K87-E91 WeakPolarHBondContact O-CG 3.47Å; K87-E91 PolarHBondContact O-N 3.03Å
88K98.4Very high97.4Very high106 Ų10660.3 Ų60.346%0.46126%0.264SS..Hα-helixtrans-59.4-38.4-178.8-163-176.2-171.5-176.90113R25 V26 P86 F92R25-K88 WeakPolarHBondContact O-CE 3.28Å; R25-K88 PolarHBondContact O-NZ 2.89Å; V26-K88 HydrophobicContact CG1-CD 4.08Å; V26-K88 HydrophobicContact CG1-CG 3.95Å; P86-K88 PolarHBondContact O-N 2.91Å; K88-F92 HydrophobicContact CG-CD2 4.27Å; K88-F92 HydrophobicContact CG-CE2 4.17Å; K88-F92 VanDerWaalsContact O-CD2 3.27Å; K88-F92 WeakPolarHBondContact O-CD2 3.47Å; K88-F92 PolarHBondContact O-N 2.85Å
89S97.9Very high97.5Very high2 Ų261.6 Ų61.61%0.01427%0.274CS..Hα-helixtrans-71.3-36.1177.9-59.90000111.8N30 T31 P86 K87 L93N30-S89 WeakPolarHBondContact CB-OG 3.37Å; T31-S89 PolarHBondContact N-OG 3.22Å; T31-S89 PolarHBondContact OG1-OG 3.14Å; P86-S89 PolarHBondContact O-N 3Å; K87-S89 VanDerWaalsContact C-N 3.3Å; K87-S89 PolarHBondContact O-N 2.96Å; S89-L93 WeakPolarHBondContact O-CB 3.32Å; S89-L93 WeakPolarHBondContact O-CG 3.36Å; S89-L93 PolarHBondContact O-N 3.1Å; S89-L93 VanDerWaalsContact O-N 3.1Å
90A98.2Very high97.5Very high0 Ų052.1 Ų52.10%023%0.233CC..Hα-helixtrans-65.8-40.8175.800000112.2L50 V53 I54 P86 K87 L93 L94L50-A90 HydrophobicContact CD2-CB 3.94Å; V53-A90 HydrophobicContact CG1-CB 4.29Å; I54-A90 HydrophobicContact CD1-CB 4.25Å; I54-A90 HydrophobicContact CG1-CB 3.88Å; P86-A90 PolarHBondContact O-N 3.35Å; K87-A90 WeakPolarHBondContact O-CB 3.27Å; K87-A90 PolarHBondContact O-N 2.82Å; K87-A90 VanDerWaalsContact O-N 3.07Å; A90-L93 PolarHBondContact O-N 3.38Å; A90-L94 VanDerWaalsContact O-CB 3.32Å; A90-L94 WeakPolarHBondContact O-CB 3.31Å; A90-L94 PolarHBondContact O-N 3.1Å
91E98.1Very high97.5Very high68 Ų6851 Ų5132%0.31823%0.231SC..Hα-helixtrans-61.9-47.3176.8-71.5166173.200112.4I54 K87 L93 L94 Q95I54-E91 HydrophobicContact CD1-CG 3.85Å; I54-E91 HydrophobicContact CG1-CG 4.46Å; K87-E91 WeakPolarHBondContact CE-OE1 3.47Å; K87-E91 WeakPolarHBondContact CG-OE1 3.42Å; K87-E91 WeakPolarHBondContact O-CG 3.47Å; K87-E91 PolarHBondContact O-N 3.03Å; E91-L93 PolarHBondContact O-N 3.47Å; E91-L94 PolarHBondContact O-N 2.83Å; E91-Q95 WeakPolarHBondContact O-CG 3.49Å; E91-Q95 PolarHBondContact O-N 3.4Å
92F97.9Very high97.5Very high49 Ų4950.2 Ų50.222%0.21523%0.229CC..Hα-helixtrans-64.9-38.1177.6-87.7-105.8000112.4L24 V26 K88 L94 Q95 L96L24-F92 HydrophobicContact CB-CD1 4.08Å; L24-F92 HydrophobicContact CB-CE1 4.14Å; L24-F92 HydrophobicContact CD1-CD1 4.15Å; L24-F92 HydrophobicContact CD2-CD1 4.06Å; L24-F92 HydrophobicContact CD2-CE1 4.04Å; L24-F92 HydrophobicContact CG-CD1 4.33Å; V26-F92 HydrophobicContact CG1-CB 4.07Å; V26-F92 HydrophobicContact CG1-CD1 3.83Å; V26-F92 HydrophobicContact CG1-CD2 3.23Å; V26-F92 HydrophobicContact CG1-CE1 4.02Å; V26-F92 HydrophobicContact CG1-CE2 3.44Å; V26-F92 VanDerWaalsContact CG1-CE2 3.44Å; V26-F92 HydrophobicContact CG1-CG 3.42Å; V26-F92 VanDerWaalsContact CG1-CG 3.42Å; V26-F92 HydrophobicContact CG1-CZ 3.83Å; K88-F92 HydrophobicContact CG-CD2 4.27Å; K88-F92 HydrophobicContact CG-CE2 4.17Å; K88-F92 VanDerWaalsContact O-CD2 3.27Å; K88-F92 WeakPolarHBondContact O-CD2 3.47Å; K88-F92 PolarHBondContact O-N 2.85Å; F92-L94 VanDerWaalsContact C-N 3.35Å; F92-Q95 PolarHBondContact O-N 3.36Å; F92-L96 PolarHBondContact O-N 2.88Å
93L97.9Very high97.5Very high1 Ų151.2 Ų51.21%0.00524%0.236CC..Hα-helixtrans-66.9-37.3174.4-77170.7000112T31 T34 A35 L38 L50 S89 A90 E91 L96 L97 I119 L148T31-L93 HydrophobicContact CG2-CD1 4.38Å; T31-L93 HydrophobicContact CG2-CG 4.34Å; T34-L93 WeakPolarHBondContact OG1-CD1 3.44Å; A35-L93 HydrophobicContact CB-CD1 4.32Å; A35-L93 HydrophobicContact CB-CD2 4.39Å; L38-L93 HydrophobicContact CD1-CB 4.42Å; L38-L93 HydrophobicContact CD1-CD1 4.08Å; L50-L93 HydrophobicContact CD1-CB 3.85Å; L50-L93 HydrophobicContact CD2-CB 4.46Å; S89-L93 WeakPolarHBondContact O-CB 3.32Å; S89-L93 WeakPolarHBondContact O-CG 3.36Å; S89-L93 PolarHBondContact O-N 3.1Å; S89-L93 VanDerWaalsContact O-N 3.1Å; A90-L93 PolarHBondContact O-N 3.38Å; E91-L93 PolarHBondContact O-N 3.47Å; L93-L96 PolarHBondContact O-N 3.15Å; L93-L97 WeakPolarHBondContact O-CG 3.04Å; L93-L97 PolarHBondContact O-N 3.36Å; L93-I119 HydrophobicContact CD2-CD1 3.87Å; L93-L148 HydrophobicContact CD2-CD1 3.98Å; L93-L148 HydrophobicContact CD2-CD2 4.47Å; L93-L148 HydrophobicContact CG-CD1 4.49Å
94L97.7Very high97.4Very high15 Ų1551.1 Ų51.18%0.07924%0.235CC..Hα-helixtrans-64.9-41.7176.6-171.9155.2000111.3L50 K51 A90 E91 F92 L96 L97 R98L50-L94 HydrophobicContact CD1-CB 4.18Å; K51-L94 HydrophobicContact CG-CD1 3.91Å; A90-L94 VanDerWaalsContact O-CB 3.32Å; A90-L94 WeakPolarHBondContact O-CB 3.31Å; A90-L94 PolarHBondContact O-N 3.1Å; E91-L94 PolarHBondContact O-N 2.83Å; F92-L94 VanDerWaalsContact C-N 3.35Å; L94-L96 VanDerWaalsContact C-N 3.34Å; L94-L97 PolarHBondContact O-N 3.28Å; L94-R98 HydrophobicContact CD2-CG 4.31Å; L94-R98 VanDerWaalsContact CD2-NE 3.33Å; L94-R98 WeakPolarHBondContact O-CG 3.24Å; L94-R98 PolarHBondContact O-N 3.23Å
95Q97.3Very high97.3Very high117 Ų11751.1 Ų51.155%0.54724%0.239SC..Hα-helixtrans-60.6-43.2172.6-71174-7.300111.9E91 F92 R98 N99E91-Q95 WeakPolarHBondContact O-CG 3.49Å; E91-Q95 PolarHBondContact O-N 3.4Å; F92-Q95 PolarHBondContact O-N 3.36Å; Q95-R98 PolarHBondContact O-N 3.47Å; Q95-N99 PolarHBondContact O-N 2.9Å; Q95-N99 VanDerWaalsContact O-N 3.08Å
96L97.1Very high97.2Very high12 Ų1256.6 Ų56.66%0.06327%0.266CS..Hα-helixtrans-64.8-39.9178.1-173.465.7000112.4A19 F92 L93 L94 N99 A100 L148 V150A19-L96 HydrophobicContact CB-CD1 3.73Å; A19-L96 HydrophobicContact CB-CG 4.28Å; F92-L96 PolarHBondContact O-N 2.88Å; L93-L96 PolarHBondContact O-N 3.15Å; L94-L96 VanDerWaalsContact C-N 3.34Å; L96-N99 PolarHBondContact O-N 2.98Å; L96-A100 PolarHBondContact O-N 3.47Å; L96-L148 HydrophobicContact CD2-CB 3.6Å; L96-L148 HydrophobicContact CD2-CD1 4.22Å; L96-V150 HydrophobicContact CD2-CB 4.35Å; L96-V150 HydrophobicContact CD2-CG2 3.54Å; L96-V150 HydrophobicContact CG-CG2 4.13Å
97L97.4Very high97.1Very high0 Ų061.2 Ų61.20%028%0.284CS..Hα-helixtrans-67.1-40.3176.8-72.2179.2000112.3L38 L43 A46 V47 L50 L93 L94 N99 A100 E101 I116 V150 L152L38-L97 HydrophobicContact CD1-CD1 4.4Å; L43-L97 HydrophobicContact CD1-CB 4.06Å; L43-L97 HydrophobicContact CD1-CD1 4.42Å; L43-L97 HydrophobicContact CD1-CD2 3.94Å; L43-L97 HydrophobicContact CD1-CG 4.36Å; A46-L97 HydrophobicContact CB-CD1 4.06Å; V47-L97 HydrophobicContact CG2-CD1 4.36Å; L50-L97 HydrophobicContact CD1-CD1 3.82Å; L93-L97 WeakPolarHBondContact O-CG 3.04Å; L93-L97 PolarHBondContact O-N 3.36Å; L94-L97 PolarHBondContact O-N 3.28Å; L97-N99 VanDerWaalsContact C-N 3.32Å; L97-N99 PolarHBondContact O-N 3.32Å; L97-A100 WeakPolarHBondContact O-CB 3.17Å; L97-A100 PolarHBondContact O-N 2.98Å; L97-E101 WeakPolarHBondContact O-CB 3.22Å; L97-E101 PolarHBondContact O-N 3.33Å; L97-I116 HydrophobicContact CD1-CD1 4.37Å; L97-I116 HydrophobicContact CD2-CD1 3.85Å; L97-I116 HydrophobicContact CD2-CG1 4.26Å; L97-V150 HydrophobicContact CD2-CG1 4.19Å; L97-L152 HydrophobicContact CD2-CD2 4.43Å
98R96.7Very high96.9Very high134 Ų13458.7 Ų58.751%0.50629%0.292SS..Hα-helixtrans-60.8-40.8173.3-75.4177.5173.8170.4-3.6112.2L94 Q95 E101 S102L94-R98 HydrophobicContact CD2-CG 4.31Å; L94-R98 VanDerWaalsContact CD2-NE 3.33Å; L94-R98 WeakPolarHBondContact O-CG 3.24Å; L94-R98 PolarHBondContact O-N 3.23Å; Q95-R98 PolarHBondContact O-N 3.47Å; R98-E101 WeakPolarHBondContact O-CB 3.41Å; R98-E101 PolarHBondContact O-N 3.37Å; R98-S102 PolarHBondContact O-N 3.15Å; R98-S102 PolarHBondContact O-OG 3.33Å
99N96.8Very high96.6Very high73 Ų7354.5 Ų54.539%0.3928%0.275SS..Hα-helixtrans-63.4-42.5174.1-17513.3000111.4Q95 L96 L97 E101 S102 N103Q95-N99 PolarHBondContact O-N 2.9Å; Q95-N99 VanDerWaalsContact O-N 3.08Å; L96-N99 PolarHBondContact O-N 2.98Å; L97-N99 VanDerWaalsContact C-N 3.32Å; L97-N99 PolarHBondContact O-N 3.32Å; N99-E101 VanDerWaalsContact C-N 3.32Å; N99-E101 PolarHBondContact O-N 3.04Å; N99-S102 PolarHBondContact O-N 2.81Å; N99-N103 PolarHBondContact O-N 3.01Å; N99-N103 PolarHBondContact O-ND2 3.44Å
100A96.4Very high96.4Very high0 Ų057.6 Ų57.60%029%0.291CS..Hα-helixtrans-63.5-37.2175.700000112.7C17 A19 L96 L97 N103 A104 L152C17-A100 PolarHBondContact SG-O 3.37Å; A19-A100 HydrophobicContact CB-CB 3.73Å; L96-A100 PolarHBondContact O-N 3.47Å; L97-A100 WeakPolarHBondContact O-CB 3.17Å; L97-A100 PolarHBondContact O-N 2.98Å; A100-N103 PolarHBondContact O-N 3.28Å; A100-A104 PolarHBondContact O-N 3.32Å; A100-L152 HydrophobicContact CB-CD1 3.62Å; A100-L152 HydrophobicContact CB-CG 4.07Å
101E96.5Very high96.1Very high59 Ų5959.2 Ų59.228%0.27630%0.301SS..Hα-helixtrans-61.4-51.8174-172171.4-146.900111L43 L97 R98 N99 N103 A104 E105 T111L43-E101 HydrophobicContact CD2-CB 4Å; L43-E101 HydrophobicContact CD2-CG 3.97Å; L97-E101 WeakPolarHBondContact O-CB 3.22Å; L97-E101 PolarHBondContact O-N 3.33Å; R98-E101 WeakPolarHBondContact O-CB 3.41Å; R98-E101 PolarHBondContact O-N 3.37Å; N99-E101 VanDerWaalsContact C-N 3.32Å; N99-E101 PolarHBondContact O-N 3.04Å; E101-N103 VanDerWaalsContact C-N 3.27Å; E101-N103 PolarHBondContact O-N 2.91Å; E101-A104 WeakPolarHBondContact O-CA 3.47Å; E101-A104 VanDerWaalsContact O-CB 3.31Å; E101-A104 WeakPolarHBondContact O-CB 3.19Å; E101-A104 PolarHBondContact O-N 3.04Å; E101-E105 PolarHBondContact O-N 3.09Å; E101-T111 HydrophobicContact CG-CG2 4.44Å
102S96.9Very high95.9Very high64 Ų6459.7 Ų59.745%0.44831%0.306SS..Hα-helixtrans-59.7-36.1175.7-580000112.9R98 N99 A104 F106R98-S102 PolarHBondContact O-N 3.15Å; R98-S102 PolarHBondContact O-OG 3.33Å; N99-S102 PolarHBondContact O-N 2.81Å; S102-A104 VanDerWaalsContact C-N 3.3Å; S102-A104 PolarHBondContact O-N 2.88Å; S102-F106 WeakPolarHBondContact O-CB 3.34Å; S102-F106 PolarHBondContact O-N 3.15Å
103N96.2Very high95.7Very high59 Ų5961.6 Ų61.632%0.31631%0.311SS..Hα-helixtrans-67.9-29.7173.6-68.8-19000112.8C17 K18 N99 A100 E101 K107C17-N103 HydrophobicContact CB-CB 4.33Å; K18-N103 PolarHBondContact O-ND2 3.34Å; N99-N103 PolarHBondContact O-N 3.01Å; N99-N103 PolarHBondContact O-ND2 3.44Å; A100-N103 PolarHBondContact O-N 3.28Å; E101-N103 VanDerWaalsContact C-N 3.27Å; E101-N103 PolarHBondContact O-N 2.91Å; N103-K107 WeakPolarHBondContact O-CG 3.35Å; N103-K107 PolarHBondContact O-N 3.28Å
104A96.2Very high95.6Very high0 Ų061.6 Ų61.60%031%0.311CS..Hα-helixtrans-74.8-43.6176.800000111.1C17 A100 E101 S102 F106 K107 G108 L109 L114C17-A104 HydrophobicContact CB-CB 4.12Å; A100-A104 PolarHBondContact O-N 3.32Å; E101-A104 WeakPolarHBondContact O-CA 3.47Å; E101-A104 VanDerWaalsContact O-CB 3.31Å; E101-A104 WeakPolarHBondContact O-CB 3.19Å; E101-A104 PolarHBondContact O-N 3.04Å; S102-A104 VanDerWaalsContact C-N 3.3Å; S102-A104 PolarHBondContact O-N 2.88Å; A104-F106 VanDerWaalsContact C-N 3.32Å; A104-F106 PolarHBondContact O-N 3.17Å; A104-K107 CarbonylContact O-C 3.59Å; A104-K107 PolarHBondContact O-N 3Å; A104-K107 VanDerWaalsContact O-N 3.07Å; A104-G108 PolarHBondContact O-N 2.88Å; A104-G108 VanDerWaalsContact O-N 3.13Å; A104-L109 HydrophobicContact CB-CB 4.18Å; A104-L109 HydrophobicContact CB-CD1 4.21Å; A104-L109 PolarHBondContact O-N 2.86Å; A104-L114 HydrophobicContact CB-CD1 3.49Å; A104-L114 VanDerWaalsContact CB-CD1 3.49Å; A104-L114 HydrophobicContact CB-CD2 4.33Å
105E96Very high95.6Very high111 Ų11162.2 Ų62.252%0.51932%0.316SS..Hα-helixtrans-57.2-46.4173.3-69.4174.7166.900111E101 K107 G108 T111E101-E105 PolarHBondContact O-N 3.09Å; E105-K107 PolarHBondContact O-N 3.47Å; E105-G108 PolarHBondContact O-N 2.79Å; E105-T111 HydrophobicContact CG-CG2 3.51Å
106F96Very high95.6Very high186 Ų18656.7 Ų56.782%0.81629%0.29SS*.Hα-helixtrans-61.2-31.7176.6-178.7-100.8000113.1S102 A104 G108S102-F106 WeakPolarHBondContact O-CB 3.34Å; S102-F106 PolarHBondContact O-N 3.15Å; A104-F106 VanDerWaalsContact C-N 3.32Å; A104-F106 PolarHBondContact O-N 3.17Å; F106-G108 VanDerWaalsContact C-N 3.3Å
107K94.4Very high95.5Very high110 Ų11057.5 Ų57.548%0.47830%0.297SS..THydrogen-bonded Turntrans-81.9-4.8175.1-77.7-171.8174.2-158.80113.8S16 C17 N103 A104 E105 L109S16-K107 PolarHBondContact O-NZ 3.48Å; C17-K107 HydrophobicContact CB-CD 4.46Å; N103-K107 WeakPolarHBondContact O-CG 3.35Å; N103-K107 PolarHBondContact O-N 3.28Å; A104-K107 CarbonylContact O-C 3.59Å; A104-K107 PolarHBondContact O-N 3Å; A104-K107 VanDerWaalsContact O-N 3.07Å; E105-K107 PolarHBondContact O-N 3.47Å; K107-L109 VanDerWaalsContact C-N 3.33Å; K107-L109 HydrophobicContact CB-CD1 4.43Å; K107-L109 HydrophobicContact CB-CG 4.07Å
108G94.1Very high95.4Very high66 Ų6658.6 Ų58.668%0.6830%0.302SS*.THydrogen-bonded Turntrans70.126.8-175.100000113.9A104 E105 F106A104-G108 PolarHBondContact O-N 2.88Å; A104-G108 VanDerWaalsContact O-N 3.13Å; E105-G108 PolarHBondContact O-N 2.79Å; F106-G108 VanDerWaalsContact C-N 3.3Å
109L94Very high95.4Very high19 Ų1953 Ų5310%0.09928%0.282CS..  trans-80.8147.2173.3-59.7178.6000110.4C17 A104 K107 T111 L114C17-L109 HydrophobicContact CB-CD1 4.26Å; A104-L109 HydrophobicContact CB-CB 4.18Å; A104-L109 HydrophobicContact CB-CD1 4.21Å; A104-L109 PolarHBondContact O-N 2.86Å; K107-L109 VanDerWaalsContact C-N 3.33Å; K107-L109 HydrophobicContact CB-CD1 4.43Å; K107-L109 HydrophobicContact CB-CG 4.07Å; L109-T111 PolarHBondContact O-N 3.21Å; L109-T111 VanDerWaalsContact O-N 3.15Å; L109-L114 HydrophobicContact CB-CD2 4.38Å; L109-L114 HydrophobicContact CD1-CD2 4.35Å
110D93.5Very high95.4Very high67 Ų6750.4 Ų50.436%0.35827%0.27SS..  trans-69.9108.6172.3-176.8-2.5000110.5D112 R113 L114D110-D112 PolarHBondContact O-N 3.15Å; D110-D112 WeakPolarHBondContact OD1-CB 3.37Å; D110-D112 PolarHBondContact OD1-N 3.35Å; D110-R113 HydrophobicContact CB-CB 4.4Å; D110-R113 HydrophobicContact CB-CG 4.43Å; D110-R113 PolarHBondContact O-N 2.78Å; D110-R113 VanDerWaalsContact OD2-CD 3.27Å; D110-R113 WeakPolarHBondContact OD2-CD 3.21Å; D110-R113 VanDerWaalsContact OD2-CG 3.24Å; D110-R113 WeakPolarHBondContact OD2-CG 3.1Å; D110-L114 WeakPolarHBondContact O-CG 3.49Å
111T91.8Very high95.5Very high33 Ų3351.5 Ų51.520%0.20228%0.277CS..G310 helixtrans-62.7-24.1-177.851.20000113E101 E105 L109 L114E101-T111 HydrophobicContact CG-CG2 4.44Å; E105-T111 HydrophobicContact CG-CG2 3.51Å; L109-T111 PolarHBondContact O-N 3.21Å; L109-T111 VanDerWaalsContact O-N 3.15Å; T111-L114 HydrophobicContact CG2-CD1 4.39Å
112D93.3Very high95.5Very high79 Ų7952.7 Ų52.742%0.42228%0.282SS..G310 helixtrans-78.5-26.4-177.5-69.6-6.3000112.3R44 D110R44-D112 IonicContact CZ-OD1 3.66Å; R44-D112 IonicContact CZ-OD2 2.94Å; R44-D112 VanDerWaalsContact CZ-OD2 3.29Å; R44-D112 IonicContact NE-OD1 2.91Å; R44-D112 PolarHBondContact NE-OD1 3.03Å; R44-D112 IonicContact NH1-OD1 3.58Å; R44-D112 IonicContact NH1-OD2 3.88Å; R44-D112 IonicContact NH2-OD1 3.88Å; R44-D112 PolarHBondContact NH2-OD1 3.08Å; R44-D112 IonicContact NH2-OD2 2.56Å; R44-D112 PolarHBondContact NH2-OD2 3.36Å; D110-D112 PolarHBondContact O-N 3.15Å; D110-D112 WeakPolarHBondContact OD1-CB 3.37Å; D110-D112 PolarHBondContact OD1-N 3.35Å
113R93.9Very high95.5Very high88 Ų8853 Ų5333%0.33229%0.288SS..G310 helixtrans-96.36.7180-59.9-17482.9176.97.1113.1D110 E154 A155 D157D110-R113 HydrophobicContact CB-CB 4.4Å; D110-R113 HydrophobicContact CB-CG 4.43Å; D110-R113 PolarHBondContact O-N 2.78Å; D110-R113 VanDerWaalsContact OD2-CD 3.27Å; D110-R113 WeakPolarHBondContact OD2-CD 3.21Å; D110-R113 VanDerWaalsContact OD2-CG 3.24Å; D110-R113 WeakPolarHBondContact OD2-CG 3.1Å; R113-E154 HydrophobicContact CB-CG 3.96Å; R113-A155 PolarHBondContact O-N 3.32Å; R113-D157 IonicContact CZ-OD1 2.74Å; R113-D157 IonicContact CZ-OD2 2.67Å; R113-D157 IonicContact NH1-OD1 3.06Å; R113-D157 IonicContact NH1-OD2 3.29Å; R113-D157 PolarHBondContact NH1-OD2 3.4Å; R113-D157 VanDerWaalsContact NH2-CG 3.34Å; R113-D157 IonicContact NH2-OD1 3.58Å; R113-D157 PolarHBondContact NH2-OD1 2.96Å; R113-D157 IonicContact NH2-OD2 3.75Å; R113-D157 PolarHBondContact NH2-OD2 2.83Å
114L96.2Very high95.5Very high1 Ų150.7 Ų50.71%0.00528%0.278CS..EExtended strand (participates in β ladder)trans-72.5130.3179.2-66.5175.6000112.7T42 L43 A104 L109 D110 T111 L152 K153T42-L114 WeakPolarHBondContact CA-O 3.37Å; L43-L114 HydrophobicContact CB-CB 4.01Å; L43-L114 HydrophobicContact CD2-CB 4.22Å; L43-L114 HydrophobicContact CD2-CD1 3.81Å; L43-L114 PolarHBondContact N-O 2.67Å; A104-L114 HydrophobicContact CB-CD1 3.49Å; A104-L114 VanDerWaalsContact CB-CD1 3.49Å; A104-L114 HydrophobicContact CB-CD2 4.33Å; L109-L114 HydrophobicContact CB-CD2 4.38Å; L109-L114 HydrophobicContact CD1-CD2 4.35Å; D110-L114 WeakPolarHBondContact O-CG 3.49Å; T111-L114 HydrophobicContact CG2-CD1 4.39Å; L114-L152 HydrophobicContact CB-CD1 4.49Å; L114-L152 HydrophobicContact CD1-CD1 4.05Å; L114-L152 HydrophobicContact CD2-CB 4.28Å; L114-K153 WeakPolarHBondContact CA-O 3.41Å
115V96.5Very high95.5Very high29 Ų2954.3 Ų54.318%0.17631%0.308CS..EExtended strand (participates in β ladder)trans-123138.3175.4-179.90000109.6T42 S117 L152 K153 A155T42-V115 HydrophobicContact CG2-CG2 4.33Å; V115-S117 PolarHBondContact O-N 3.09Å; V115-L152 WeakPolarHBondContact O-CA 3.45Å; V115-K153 PolarHBondContact N-O 2.83Å; V115-K153 PolarHBondContact O-N 3.05Å; V115-A155 HydrophobicContact CG2-CB 4.16Å
116I97Very high95.5Very high0 Ų054.7 Ų54.70%031%0.308CS..EExtended strand (participates in β ladder)trans-73.798.3174.4-58.4168.9000108.8L38 N40 M41 A46 L97 I119 V150 L152L38-I116 HydrophobicContact CB-CD1 3.93Å; N40-I116 WeakPolarHBondContact CA-O 3.16Å; N40-I116 PolarHBondContact N-O 3.04Å; M41-I116 PolarHBondContact O-N 3.27Å; A46-I116 HydrophobicContact CB-CD1 3.46Å; A46-I116 VanDerWaalsContact CB-CD1 3.46Å; L97-I116 HydrophobicContact CD1-CD1 4.37Å; L97-I116 HydrophobicContact CD2-CD1 3.85Å; L97-I116 HydrophobicContact CD2-CG1 4.26Å; I116-I119 HydrophobicContact CG2-CB 4.1Å; I116-I119 HydrophobicContact CG2-CG2 4.22Å; I116-V150 HydrophobicContact CG2-CG1 4.45Å; I116-L152 HydrophobicContact CB-CD2 4.11Å; I116-L152 HydrophobicContact CG1-CD2 3.46Å; I116-L152 VanDerWaalsContact CG1-CD2 3.46Å
117S95.4Very high95.6Very high29 Ų2949.8 Ų49.820%0.20329%0.289CS..EExtended strand (participates in β ladder)trans-76.9-44.4178.858.70000111.7V115 I151V115-S117 PolarHBondContact O-N 3.09Å; S117-I151 PolarHBondContact N-O 3.27Å; S117-I151 VanDerWaalsContact N-O 3.11Å; S117-I151 PolarHBondContact OG-O 3.29Å; S117-I151 VanDerWaalsContact OG-O 3.1Å
118H96.4Very high95.6Very high24 Ų2454.6 Ų54.611%0.11130%0.304CS..EExtended strand (participates in β ladder)trans-135.7136.2-177.9-179.573.3000110.8S7 T8 E149 V150 I151S7-H118 PolarHBondContact OG-NE2 2.96Å; S7-H118 VanDerWaalsContact OG-NE2 3.13Å; T8-H118 PolarHBondContact OG1-CE1 3.04Å; T8-H118 VanDerWaalsContact OG1-CE1 3.25Å; H118-E149 IonicContact CD2-OE1 3.91Å; H118-E149 IonicContact NE2-OE1 2.71Å; H118-E149 PolarHBondContact NE2-OE1 2.93Å; H118-V150 WeakPolarHBondContact O-CA 3.46Å; H118-I151 HydrophobicContact CB-CB 4.08Å; H118-I151 HydrophobicContact CB-CD1 4.16Å; H118-I151 HydrophobicContact CB-CG1 4.21Å; H118-I151 PolarHBondContact N-O 3.07Å; H118-I151 PolarHBondContact O-N 3.16Å
119I97.1Very high95.8Very high17 Ų1756.8 Ų56.89%0.08729%0.292CS..EExtended strand (participates in β ladder)trans-145.2124.8170.3-174.8169.5000108.1A35 L38 R39 L93 I116 E149 V150A35-I119 HydrophobicContact CB-CD1 3.61Å; A35-I119 HydrophobicContact CB-CG1 3.89Å; A35-I119 VanDerWaalsContact O-CG2 3.22Å; A35-I119 WeakPolarHBondContact O-CG2 3.32Å; L38-I119 HydrophobicContact CD1-CD1 4.21Å; R39-I119 HydrophobicContact CB-CG2 4.02Å; L93-I119 HydrophobicContact CD2-CD1 3.87Å; I116-I119 HydrophobicContact CG2-CB 4.1Å; I116-I119 HydrophobicContact CG2-CG2 4.22Å; I119-E149 WeakPolarHBondContact CA-O 3.42Å; I119-V150 HydrophobicContact CB-CG2 4.27Å; I119-V150 HydrophobicContact CD1-CG2 3.75Å; I119-V150 HydrophobicContact CG1-CG2 3.7Å
120A96Very high95.9Very high18 Ų1864.9 Ų64.915%0.14932%0.321CS..EExtended strand (participates in β ladder)trans-129.5145.7179.100000111.3E149A120-E149 HydrophobicContact CB-CG 3.72Å; A120-E149 PolarHBondContact N-O 3.1Å; A120-E149 PolarHBondContact O-N 3.29Å
121V97.6Very high96.1Very high22 Ų2264 Ų6413%0.13332%0.319CS..EExtended strand (participates in β ladder)trans-125.3119.4176.9-173.60000107.3F28 T31 R32 A35 C146 H147 L148F28-V121 HydrophobicContact CD2-CG1 3.81Å; F28-V121 HydrophobicContact CE2-CG1 3.96Å; F28-V121 WeakPolarHBondContact CE2-O 3.32Å; T31-V121 HydrophobicContact CG2-CG1 4.4Å; T31-V121 HydrophobicContact CG2-CG2 4.49Å; R32-V121 HydrophobicContact CB-CB 4.29Å; R32-V121 HydrophobicContact CB-CG1 4.46Å; A35-V121 HydrophobicContact CB-CG2 3.37Å; V121-C146 HydrophobicContact CG1-CB 3.8Å; V121-H147 WeakPolarHBondContact CA-O 3.44Å; V121-L148 HydrophobicContact CB-CD2 3.89Å; V121-L148 HydrophobicContact CG1-CD2 3.64Å; V121-L148 HydrophobicContact CG2-CD2 3.37Å
122Q96.9Very high96.4Very high85 Ų8571.3 Ų71.340%0.39734%0.343SS..EExtended strand (participates in β ladder)trans-112.3150.7177.6-65.1179.5-12.900110.2F28 C146 H147F28-Q122 VanDerWaalsContact CE2-C 3.44Å; Q122-C146 CarbonylContact O-C 3.59Å; Q122-C146 WeakPolarHBondContact O-CA 3.39Å; Q122-C146 WeakPolarHBondContact O-CB 3.45Å; Q122-H147 HydrophobicContact CB-CB 4.34Å; Q122-H147 PolarHBondContact N-O 3.41Å; Q122-H147 PolarHBondContact O-N 3.33Å
123A96.8Very high96.5Very high69 Ų6973.6 Ų73.657%0.5735%0.346SS*.EExtended strand (participates in β ladder)trans-73.6130.5175.900000109.2F28F28-A123 HydrophobicContact CD2-CB 4.11Å; F28-A123 HydrophobicContact CE2-CB 4.13Å; F28-A123 VanDerWaalsContact CE2-N 3.35Å; F28-A123 HydrophobicContact CG-CB 4.34Å; F28-A123 HydrophobicContact CZ-CB 4.36Å
124A96.4Very high96.7Very high11 Ų1172.2 Ų72.29%0.09135%0.353CS..PPolyproline II helixtrans-93.4171.4173.200000110.9K126 P145 H147A124-K126 PolarHBondContact O-N 3.27Å; A124-P145 HydrophobicContact CB-CB 4.02Å; A124-P145 HydrophobicContact CB-CG 3.88Å; A124-P145 PolarHBondContact N-O 3.28Å; A124-H147 WeakPolarHBondContact CA-NE2 3.35Å; A124-H147 VanDerWaalsContact CB-NE2 3.29Å; A124-H147 WeakPolarHBondContact CB-NE2 3.43Å
125A96.7Very high96.7Very high76 Ų7680.9 Ų80.963%0.62839%0.394SS*.PPolyproline II helixtrans-57.4129179.100000111.1I127 P145A125-I127 PolarHBondContact O-N 3.48Å; A125-P145 WeakPolarHBondContact O-CG 2.89Å
126K96.8Very high96.7Very high120 Ų12083.1 Ų83.152%0.52242%0.423SS..PPolyproline II helixtrans-68.8132.1-179.1-68.9-177.5-176.8171.70110.7A124 M142 S143A124-K126 PolarHBondContact O-N 3.27Å; K126-M142 HydrophobicContact CB-CB 4.46Å; K126-M142 HydrophobicContact CB-SD 4.29Å; K126-M142 HydrophobicContact CD-CB 4.34Å; K126-M142 HydrophobicContact CD-CE 4.38Å; K126-M142 HydrophobicContact CD-SD 3.68Å; K126-S143 WeakPolarHBondContact CA-O 3.47Å
127I96.1Very high96.7Very high83 Ų8389 Ų8943%0.42645%0.445SS..BIsolated β-bridgetrans-86.5124.8172.9-55168.6000108.4A125 M142 S143A125-I127 PolarHBondContact O-N 3.48Å; I127-M142 CarbonylContact O-C 3.53Å; I127-M142 WeakPolarHBondContact O-CA 3.34Å; I127-S143 PolarHBondContact N-O 3.31Å; I127-S143 PolarHBondContact O-N 3.03Å
128R96.2Very high96.7Very high211 Ų21192.1 Ų92.180%0.79646%0.458SS*.PPolyproline II helixtrans-88.9132.9-173-64.5-177.8172102.8-4.7111.4
129R97Very high96.8Very high111 Ų11193.8 Ų93.842%0.41947%0.468SS..  trans-136.7168.6163.8-57-179.1-69.4-176.1-5.2108.3Y141R129-Y141 WeakPolarHBondContact CB-O 3.35Å; R129-Y141 PolarHBondContact NE-O 2.69Å; R129-Y141 VanDerWaalsContact NH2-CD1 3.27Å; R129-Y141 PolarHBondContact O-N 3.47Å
130R96.9Very high96.8Very high189 Ų18997.1 Ų97.171%0.71349%0.491SS*.EExtended strand (participates in β ladder)trans-116.4152.8178.9-63.2175.8-179.5177.40.8110.2I138 N139R130-I138 HydrophobicContact CB-CG2 3.98Å; R130-I138 HydrophobicContact CG-CG2 4.09Å; R130-N139 CarbonylContact C-O 3.56Å; R130-N139 WeakPolarHBondContact CA-O 3.44Å
131T97.7Very high96.8Very high50 Ų50102.8 Ų102.831%0.30751%0.509SS..EExtended strand (participates in β ladder)trans-129128.5168.3-179.40000108.6N139T131-N139 HydrophobicContact CG2-CB 3.86Å; T131-N139 WeakPolarHBondContact CG2-O 3.24Å; T131-N139 PolarHBondContact N-O 3.44Å; T131-N139 PolarHBondContact O-N 3.5Å
132Y97Very high96.7Very high185 Ų185105.8 Ų105.873%0.72552%0.523SS*.EExtended strand (participates in β ladder)trans-80.3136.3177.4-58.2-68.9000109.8I138Y132-I138 HydrophobicContact CD1-CD1 4.49Å; Y132-I138 HydrophobicContact CD1-CG1 4.08Å; Y132-I138 HydrophobicContact CE1-CD1 4.22Å; Y132-I138 HydrophobicContact CE1-CG1 4.29Å
133R97.1Very high96.7Very high128 Ų128102.6 Ų102.648%0.48351%0.51SS..EExtended strand (participates in β ladder)trans-128.5163.9-175.2-62.1-61.1-62.2-83.30.8110.5R137 N139R133-R137 HydrophobicContact CB-CB 4.04Å; R133-R137 PolarHBondContact N-O 2.84Å; R133-R137 PolarHBondContact O-N 3.17Å; R133-N139 HydrophobicContact CG-CB 4.28Å
134A97.1Very high96.7Very high58 Ų58101.4 Ų101.448%0.47950%0.497SS..THydrogen-bonded Turntrans-52.8144.8179.500000112.3R137A134-R137 PolarHBondContact O-NE 2.95Å; A134-R137 PolarHBondContact O-NH2 2.85Å
135H96.7Very high96.8Very high184 Ų184101.1 Ų101.185%0.85250%0.495SS*.THydrogen-bonded Turntrans62.242.5-178-47.1-75.5000114.1R137H135-R137 PolarHBondContact O-N 3.47Å; H135-R137 VanDerWaalsContact O-N 3.14Å
136G95.3Very high96.8Very high76 Ų7697.5 Ų97.578%0.78447%0.465SS*.THydrogen-bonded Turntrans70.79.1173.600000115.5
137R97Very high96.8Very high123 Ų12393.5 Ų93.546%0.46445%0.448SS..EExtended strand (participates in β ladder)trans-76.1142.9-178.9-67.3-179.9-63.6148.6-6.1111.7R133 A134 H135R133-R137 HydrophobicContact CB-CB 4.04Å; R133-R137 PolarHBondContact N-O 2.84Å; R133-R137 PolarHBondContact O-N 3.17Å; A134-R137 PolarHBondContact O-NE 2.95Å; A134-R137 PolarHBondContact O-NH2 2.85Å; H135-R137 PolarHBondContact O-N 3.47Å; H135-R137 VanDerWaalsContact O-N 3.14Å
138I96.8Very high96.9Very high94 Ų9489.7 Ų89.748%0.48243%0.428SS..EExtended strand (participates in β ladder)trans-120.4117.8176-56.7177.5000108.9R130 Y132R130-I138 HydrophobicContact CB-CG2 3.98Å; R130-I138 HydrophobicContact CG-CG2 4.09Å; Y132-I138 HydrophobicContact CD1-CD1 4.49Å; Y132-I138 HydrophobicContact CD1-CG1 4.08Å; Y132-I138 HydrophobicContact CE1-CD1 4.22Å; Y132-I138 HydrophobicContact CE1-CG1 4.29Å
139N97.1Very high96.9Very high59 Ų5979.9 Ų79.932%0.31639%0.391SS..EExtended strand (participates in β ladder)trans-110.8154.9178.1-73.312.3000111.3R130 T131 R133R130-N139 CarbonylContact C-O 3.56Å; R130-N139 WeakPolarHBondContact CA-O 3.44Å; T131-N139 HydrophobicContact CG2-CB 3.86Å; T131-N139 WeakPolarHBondContact CG2-O 3.24Å; T131-N139 PolarHBondContact N-O 3.44Å; T131-N139 PolarHBondContact O-N 3.5Å; R133-N139 HydrophobicContact CG-CB 4.28Å
140P97.1Very high96.9Very high87 Ų8774.6 Ų74.657%0.56537%0.371SS*.EExtended strand (participates in β ladder)trans-75.2138.6175.829.7-34.4000112.2M142P140-M142 HydrophobicContact CB-CE 4.09Å; P140-M142 HydrophobicContact CB-CG 4.17Å; P140-M142 HydrophobicContact CG-CE 4.23Å
141Y96.4Very high96.9Very high138 Ų13865.6 Ų65.654%0.54134%0.338SS..  trans-119.666.8171.3-165.9-116.8000110.9R129R129-Y141 WeakPolarHBondContact CB-O 3.35Å; R129-Y141 PolarHBondContact NE-O 2.69Å; R129-Y141 VanDerWaalsContact NH2-CD1 3.27Å; R129-Y141 PolarHBondContact O-N 3.47Å
142M96.2Very high96.8Very high84 Ų8463.3 Ų63.341%0.41432%0.323SS..  trans-75.6140.7-170.8-67.9179.7-7900113.3K126 I127 P140K126-M142 HydrophobicContact CB-CB 4.46Å; K126-M142 HydrophobicContact CB-SD 4.29Å; K126-M142 HydrophobicContact CD-CB 4.34Å; K126-M142 HydrophobicContact CD-CE 4.38Å; K126-M142 HydrophobicContact CD-SD 3.68Å; I127-M142 CarbonylContact O-C 3.53Å; I127-M142 WeakPolarHBondContact O-CA 3.34Å; P140-M142 HydrophobicContact CB-CE 4.09Å; P140-M142 HydrophobicContact CB-CG 4.17Å; P140-M142 HydrophobicContact CG-CE 4.23Å
143S96.2Very high96.7Very high18 Ų1857.9 Ų57.913%0.12630%0.304CS..BIsolated β-bridgetrans-84.7146.7165-52.80000110.1K126 I127 P145K126-S143 WeakPolarHBondContact CA-O 3.47Å; I127-S143 PolarHBondContact N-O 3.31Å; I127-S143 PolarHBondContact O-N 3.03Å; S143-P145 VanDerWaalsContact C-CD 3.46Å; S143-P145 VanDerWaalsContact O-CD 3.24Å; S143-P145 WeakPolarHBondContact O-CD 3.41Å
144S96.8Very high96.6Very high45 Ų4553.4 Ų53.432%0.31529%0.288SS..  trans-116.876.2179.2-600000111.2F28F28-S144 PolarHBondContact N-O 2.97Å; F28-S144 VanDerWaalsContact N-O 3.09Å
145P98.1Very high96.2Very high5 Ų552.4 Ų52.43%0.03228%0.28CS..  trans-67.2170.9176.629.3-32.7000112.1L24 A124 A125 S143L24-P145 VanDerWaalsContact O-CA 3.23Å; L24-P145 WeakPolarHBondContact O-CA 3.39Å; L24-P145 WeakPolarHBondContact O-CB 3.48Å; A124-P145 HydrophobicContact CB-CB 4.02Å; A124-P145 HydrophobicContact CB-CG 3.88Å; A124-P145 PolarHBondContact N-O 3.28Å; A125-P145 WeakPolarHBondContact O-CG 2.89Å; S143-P145 VanDerWaalsContact C-CD 3.46Å; S143-P145 VanDerWaalsContact O-CD 3.24Å; S143-P145 WeakPolarHBondContact O-CD 3.41Å
146C97.6Very high95.5Very high0 Ų049.2 Ų49.20%027%0.265CS..EExtended strand (participates in β ladder)trans-140.7155.2178.166.80000113.8L24 V26 F28 V121 Q122L24-C146 WeakPolarHBondContact CB-O 3.43Å; L24-C146 PolarHBondContact N-O 2.9Å; L24-C146 PolarHBondContact O-N 2.92Å; V26-C146 WeakPolarHBondContact CG2-SG 3.44Å; F28-C146 HydrophobicContact CB-CB 4.25Å; F28-C146 HydrophobicContact CD2-CB 3.95Å; V121-C146 HydrophobicContact CG1-CB 3.8Å; Q122-C146 CarbonylContact O-C 3.59Å; Q122-C146 WeakPolarHBondContact O-CA 3.39Å; Q122-C146 WeakPolarHBondContact O-CB 3.45Å
147H97Very high94.6Very high36 Ų3650.8 Ų50.817%0.16726%0.256CS..EExtended strand (participates in β ladder)trans-93.8137.9162.1-50-75000108.8G21 S22 D23 V121 Q122 A124G21-H147 CarbonylContact O-C 3.58Å; G21-H147 WeakPolarHBondContact O-CA 3.4Å; S22-H147 WeakPolarHBondContact CA-ND1 3.41Å; D23-H147 PolarHBondContact N-ND1 2.82Å; D23-H147 IonicContact OD1-CE1 3.5Å; D23-H147 PolarHBondContact OD1-CE1 2.95Å; D23-H147 VanDerWaalsContact OD1-CE1 3.25Å; D23-H147 IonicContact OD1-NE2 2.84Å; D23-H147 IonicContact OD2-CE1 3.64Å; V121-H147 WeakPolarHBondContact CA-O 3.44Å; Q122-H147 HydrophobicContact CB-CB 4.34Å; Q122-H147 PolarHBondContact N-O 3.41Å; Q122-H147 PolarHBondContact O-N 3.33Å; A124-H147 WeakPolarHBondContact CA-NE2 3.35Å; A124-H147 VanDerWaalsContact CB-NE2 3.29Å; A124-H147 WeakPolarHBondContact CB-NE2 3.43Å
148L96.6Very high93.5Very high2 Ų251.9 Ų51.91%0.0128%0.276CS..EExtended strand (participates in β ladder)trans-119.5138.3175.6-62.9178.4000109.6R20 G21 L24 T31 L93 L96 V121R20-L148 CarbonylContact C-O 3.53Å; R20-L148 VanDerWaalsContact CA-O 3.25Å; R20-L148 WeakPolarHBondContact CA-O 3.39Å; R20-L148 WeakPolarHBondContact CG-O 3.46Å; G21-L148 PolarHBondContact N-O 3.36Å; G21-L148 PolarHBondContact O-N 3.4Å; L24-L148 HydrophobicContact CD1-CB 4.08Å; L24-L148 HydrophobicContact CD1-CD1 3.43Å; L24-L148 VanDerWaalsContact CD1-CD1 3.43Å; L24-L148 HydrophobicContact CD1-CG 3.7Å; T31-L148 HydrophobicContact CG2-CD1 3.98Å; T31-L148 HydrophobicContact CG2-CD2 3.56Å; T31-L148 HydrophobicContact CG2-CG 4.32Å; L93-L148 HydrophobicContact CD2-CD1 3.98Å; L93-L148 HydrophobicContact CD2-CD2 4.47Å; L93-L148 HydrophobicContact CG-CD1 4.49Å; L96-L148 HydrophobicContact CD2-CB 3.6Å; L96-L148 HydrophobicContact CD2-CD1 4.22Å; V121-L148 HydrophobicContact CB-CD2 3.89Å; V121-L148 HydrophobicContact CG1-CD2 3.64Å; V121-L148 HydrophobicContact CG2-CD2 3.37Å
149E96.4Very high92.1Very high5 Ų553.4 Ų53.42%0.02329%0.289CS..EExtended strand (participates in β ladder)trans-135.6142.9169.258.9177.1-144.700109.7Y6 S7 A19 R20 H118 I119 A120Y6-E149 WeakPolarHBondContact CA-OE2 3.21Å; Y6-E149 HydrophobicContact CD1-CB 3.85Å; Y6-E149 HydrophobicContact CE1-CB 3.87Å; S7-E149 WeakPolarHBondContact CB-OE1 3.34Å; S7-E149 PolarHBondContact N-OE1 3.5Å; S7-E149 VanDerWaalsContact N-OE1 3.15Å; S7-E149 PolarHBondContact N-OE2 3.02Å; S7-E149 PolarHBondContact OG-OE1 3.42Å; A19-E149 WeakPolarHBondContact O-CA 3.49Å; R20-E149 HydrophobicContact CG-CB 4.45Å; H118-E149 IonicContact CD2-OE1 3.91Å; H118-E149 IonicContact NE2-OE1 2.71Å; H118-E149 PolarHBondContact NE2-OE1 2.93Å; I119-E149 WeakPolarHBondContact CA-O 3.42Å; A120-E149 HydrophobicContact CB-CG 3.72Å; A120-E149 PolarHBondContact N-O 3.1Å; A120-E149 PolarHBondContact O-N 3.29Å
150V97.1Very high91.2Very high0 Ų054.8 Ų54.80%031%0.309CS..EExtended strand (participates in β ladder)trans-134.9141177.7173.10000108.7K18 A19 L96 L97 I116 H118 I119 L152K18-V150 WeakPolarHBondContact CA-O 3.24Å; A19-V150 PolarHBondContact N-O 3.3Å; A19-V150 PolarHBondContact O-N 2.97Å; L96-V150 HydrophobicContact CD2-CB 4.35Å; L96-V150 HydrophobicContact CD2-CG2 3.54Å; L96-V150 HydrophobicContact CG-CG2 4.13Å; L97-V150 HydrophobicContact CD2-CG1 4.19Å; I116-V150 HydrophobicContact CG2-CG1 4.45Å; H118-V150 WeakPolarHBondContact O-CA 3.46Å; I119-V150 HydrophobicContact CB-CG2 4.27Å; I119-V150 HydrophobicContact CD1-CG2 3.75Å; I119-V150 HydrophobicContact CG1-CG2 3.7Å; V150-L152 HydrophobicContact CG1-CD2 3.68Å; V150-L152 HydrophobicContact CG1-CG 4.2Å
151I96.9Very high90.2Very high1 Ų159.9 Ų59.91%0.00532%0.322CS..EExtended strand (participates in β ladder)trans-123.7125.3168-52179.8000106.9Y6 T8 P10 C17 K18 S117 H118Y6-I151 HydrophobicContact CD1-CG1 4.37Å; T8-I151 WeakPolarHBondContact O-CD1 3.41Å; P10-I151 HydrophobicContact CB-CG2 4.05Å; C17-I151 WeakPolarHBondContact O-CA 3.39Å; K18-I151 HydrophobicContact CG-CG1 4.22Å; K18-I151 HydrophobicContact CG-CG2 4.46Å; S117-I151 PolarHBondContact N-O 3.27Å; S117-I151 VanDerWaalsContact N-O 3.11Å; S117-I151 PolarHBondContact OG-O 3.29Å; S117-I151 VanDerWaalsContact OG-O 3.1Å; H118-I151 HydrophobicContact CB-CB 4.08Å; H118-I151 HydrophobicContact CB-CD1 4.16Å; H118-I151 HydrophobicContact CB-CG1 4.21Å; H118-I151 PolarHBondContact N-O 3.07Å; H118-I151 PolarHBondContact O-N 3.16Å
152L97Very high89.1Confident1 Ų157.3 Ų57.31%0.00532%0.322CS..EExtended strand (participates in β ladder)trans-102.8142.4168.9-48.6-179000108S16 C17 L43 L97 A100 L114 V115 I116 V150S16-L152 CarbonylContact C-O 3.4Å; S16-L152 WeakPolarHBondContact CA-O 3.43Å; S16-L152 VanDerWaalsContact CB-O 3.32Å; S16-L152 WeakPolarHBondContact CB-O 3.31Å; C17-L152 PolarHBondContact N-O 2.74Å; C17-L152 PolarHBondContact O-N 3.43Å; C17-L152 VanDerWaalsContact SG-CB 3.59Å; L43-L152 HydrophobicContact CD1-CD1 4.04Å; L43-L152 HydrophobicContact CD2-CD1 4.1Å; L97-L152 HydrophobicContact CD2-CD2 4.43Å; A100-L152 HydrophobicContact CB-CD1 3.62Å; A100-L152 HydrophobicContact CB-CG 4.07Å; L114-L152 HydrophobicContact CB-CD1 4.49Å; L114-L152 HydrophobicContact CD1-CD1 4.05Å; L114-L152 HydrophobicContact CD2-CB 4.28Å; V115-L152 WeakPolarHBondContact O-CA 3.45Å; I116-L152 HydrophobicContact CB-CD2 4.11Å; I116-L152 HydrophobicContact CG1-CD2 3.46Å; I116-L152 VanDerWaalsContact CG1-CD2 3.46Å; V150-L152 HydrophobicContact CG1-CD2 3.68Å; V150-L152 HydrophobicContact CG1-CG 4.2Å
153K94.8Very high88.1Confident72 Ų7257.3 Ų57.331%0.31333%0.327SS..EExtended strand (participates in β ladder)trans-121.9147.2169.271.1178.1-176.1166.90109.6E11 K15 L114 V115E11-K153 IonicContact OE2-NZ 3.25Å; K15-K153 WeakPolarHBondContact O-CA 3.47Å; L114-K153 WeakPolarHBondContact CA-O 3.41Å; V115-K153 PolarHBondContact N-O 2.83Å; V115-K153 PolarHBondContact O-N 3.05Å
154E94.2Very high86.7Confident34 Ų3461.5 Ų61.516%0.15935%0.351CS..EExtended strand (participates in β ladder)trans-67.5134.3164.5-162.1-17617300108.9K15 R113 E156K15-E154 HydrophobicContact CB-CB 4.34Å; K15-E154 PolarHBondContact O-N 3.04Å; R113-E154 HydrophobicContact CB-CG 3.96Å; E154-E156 PolarHBondContact O-N 3.1Å
155A88Confident85Confident37 Ų3767.5 Ų67.531%0.30638%0.375SS..PPolyproline II helixtrans-65.8122.817600000110R113 V115R113-A155 PolarHBondContact O-N 3.32Å; V115-A155 HydrophobicContact CG2-CB 4.16Å
156E82.2Confident83.1Confident117 Ų11774 Ų7455%0.54740%0.404SS..PPolyproline II helixtrans-73.2142.1174.6-65.4-179.4167.200110.5E154 V158E154-E156 PolarHBondContact O-N 3.1Å; E156-V158 PolarHBondContact O-N 3.12Å
157D76.7Confident81.2Confident108 Ų10878 Ų7858%0.57843%0.429SS*.PPolyproline II helixtrans-65.8117.5163.2-68.2-54.5000107.9R113 V159R113-D157 IonicContact CZ-OD1 2.74Å; R113-D157 IonicContact CZ-OD2 2.67Å; R113-D157 IonicContact NH1-OD1 3.06Å; R113-D157 IonicContact NH1-OD2 3.29Å; R113-D157 PolarHBondContact NH1-OD2 3.4Å; R113-D157 VanDerWaalsContact NH2-CG 3.34Å; R113-D157 IonicContact NH2-OD1 3.58Å; R113-D157 PolarHBondContact NH2-OD1 2.96Å; R113-D157 IonicContact NH2-OD2 3.75Å; R113-D157 PolarHBondContact NH2-OD2 2.83Å; D157-V159 PolarHBondContact O-N 3.17Å
158V74.8Confident79.1Confident146 Ų14684 Ų8489%0.88546%0.455SS*.  trans-67.895.4-177.9-177.70000108.5E156E156-V158 PolarHBondContact O-N 3.12Å
159V67.6Low77Confident127 Ų12786.9 Ų86.977%0.7749%0.485SS*.  trans-89.7114.3166.1-175.40000107.2D157 K161D157-V159 PolarHBondContact O-N 3.17Å; V159-K161 PolarHBondContact O-N 2.83Å
160A77.3Confident74.9Confident87 Ų8796.1 Ų96.172%0.71953%0.525SS*.PPolyproline II helixtrans-61.1125.3174.200000109.1
161K77.4Confident73Confident195 Ų195105.6 Ų105.685%0.84857%0.566SS**PPolyproline II helixtrans-67.3134.8166.5-68.1-178.3179.9179.20107.5V159 T163V159-K161 PolarHBondContact O-N 2.83Å; K161-T163 PolarHBondContact O-N 3.05Å
162P72.9Confident71.2Confident83 Ų83115.5 Ų115.554%0.53961%0.609SS.*PPolyproline II helixtrans-59.9130.7175.225.3-32.8000108.9T167P162-T167 HydrophobicContact CB-CG2 4.11Å; P162-T167 HydrophobicContact CG-CG2 4.22Å
163T74.4Confident69.6Low85 Ų85119.2 Ų119.252%0.52163%0.627SS.*PPolyproline II helixtrans-66.8149.2172.416.40000109.2K161 E165 E166 T167K161-T163 PolarHBondContact O-N 3.05Å; T163-E165 PolarHBondContact O-N 2.79Å; T163-E166 PolarHBondContact O-N 3.16Å; T163-T167 PolarHBondContact O-N 2.9Å
164V67.3Low68.4Low105 Ų105119.2 Ų119.264%0.63664%0.636SS**Hα-helixtrans-55.7-27.6-178.8-176.40000111.5E166 T167 F168V164-E166 VanDerWaalsContact C-N 3.32Å; V164-E166 PolarHBondContact O-N 3.4Å; V164-T167 WeakPolarHBondContact CA-OG1 3.3Å; V164-T167 PolarHBondContact O-N 3.1Å; V164-T167 PolarHBondContact O-OG1 3.18Å; V164-F168 HydrophobicContact CG1-CD2 3.74Å; V164-F168 HydrophobicContact CG1-CE2 3.94Å; V164-F168 PolarHBondContact O-N 3.08Å; V164-F168 VanDerWaalsContact O-N 3.14Å
165E61.8Low67.4Low172 Ų172125.7 Ų125.780%0.80466%0.664SS**Hα-helixtrans-64.8-27.4174.4-63.3-175.3158.800114.5T163T163-E165 PolarHBondContact O-N 2.79Å
166E58.1Low66.7Low140 Ų140131.6 Ų131.665%0.65468%0.682SS**Hα-helixtrans-85.5-31.1175.7-64.2-176155.900111.7T163 V164T163-E166 PolarHBondContact O-N 3.16Å; V164-E166 VanDerWaalsContact C-N 3.32Å; V164-E166 PolarHBondContact O-N 3.4Å
167T56.8Low66.3Low85 Ų85131 Ų13152%0.52168%0.678SS.*Hα-helixtrans-76.1-32.2-179.857.50000113.8P162 T163 V164 G169P162-T167 HydrophobicContact CB-CG2 4.11Å; P162-T167 HydrophobicContact CG-CG2 4.22Å; T163-T167 PolarHBondContact O-N 2.9Å; V164-T167 WeakPolarHBondContact CA-OG1 3.3Å; V164-T167 PolarHBondContact O-N 3.1Å; V164-T167 PolarHBondContact O-OG1 3.18Å; T167-G169 PolarHBondContact O-N 3Å
168F53.9Low66.1Low162 Ų162130.1 Ų130.171%0.71167%0.67SS**SBendtrans-95.280.8169.3-73.1-84.7000108.1V164 K170V164-F168 HydrophobicContact CG1-CD2 3.74Å; V164-F168 HydrophobicContact CG1-CE2 3.94Å; V164-F168 PolarHBondContact O-N 3.08Å; V164-F168 VanDerWaalsContact O-N 3.14Å; F168-K170 PolarHBondContact O-N 3.46Å
169G51.2Low66.1Low62 Ų62132.8 Ų132.864%0.63966%0.664SS**  trans-41.1132.9179.700000111.9T167 K171T167-G169 PolarHBondContact O-N 3Å; G169-K171 PolarHBondContact O-N 3.33Å
170K53.3Low66.6Low199 Ų199135.7 Ų135.787%0.86566%0.662SS**SBendtrans-8.2108.1176.5-67.7179.3179.2179.10111.5F168 K172F168-K170 PolarHBondContact O-N 3.46Å; K170-K172 PolarHBondContact O-N 3.24Å
171K56.5Low66.4Low200 Ų200135.3 Ų135.387%0.8765%0.645SS**  trans-32.1113172.9-82.3-179.2176.4174.80108.1G169 E173G169-K171 PolarHBondContact O-N 3.33Å; K171-E173 VanDerWaalsContact C-N 3.33Å; K171-E173 PolarHBondContact O-N 3.03Å
172K59.7Low66.3Low209 Ų209131 Ų13191%0.90963%0.631SS**  trans-51.8102.8177.6-78.9-177.4177.6175.40106.9K170 S174K170-K172 PolarHBondContact O-N 3.24Å; K172-S174 PolarHBondContact O-N 2.9Å
173E62.9Low66.4Low78 Ų78131.3 Ų131.336%0.36464%0.64SS.*  trans-59.2134.9171.1-81.5-164.8135.600106.9K171 K175 K177 Q178K171-E173 VanDerWaalsContact C-N 3.33Å; K171-E173 PolarHBondContact O-N 3.03Å; E173-K175 PolarHBondContact O-N 2.95Å; E173-K177 HydrophobicContact CG-CD 4.47Å; E173-K177 WeakPolarHBondContact OE1-CE 3.34Å; E173-K177 IonicContact OE1-NZ 3.18Å; E173-K177 PolarHBondContact OE1-NZ 2.97Å; E173-Q178 HydrophobicContact CB-CG 4.18Å
174S70.4Confident66.4Low73 Ų73136.7 Ų136.751%0.5165%0.651SS.*  trans-50.8130.2175.3171.40000109K172 K176 K177 Q178K172-S174 PolarHBondContact O-N 2.9Å; S174-K176 PolarHBondContact O-N 3.25Å; S174-K176 WeakPolarHBondContact OG-CB 3.1Å; S174-K176 PolarHBondContact OG-N 3.44Å; S174-K177 WeakPolarHBondContact O-CA 3.45Å; S174-K177 WeakPolarHBondContact O-CB 3.35Å; S174-K177 PolarHBondContact O-N 3.14Å; S174-Q178 PolarHBondContact O-N 3.2Å; S174-Q178 VanDerWaalsContact O-N 3.14Å
175K72Confident66.4Low170 Ų170134.5 Ų134.574%0.73965%0.65SS**Hα-helixtrans-50.9-25.7173.4-69.3-175.3178.1-177.20111.7E173 R179E173-K175 PolarHBondContact O-N 2.95Å; K175-R179 WeakPolarHBondContact O-CB 3.47Å; K175-R179 WeakPolarHBondContact O-CG 3.48Å; K175-R179 PolarHBondContact O-N 3.14Å
176K72.8Confident66.3Low161 Ų161131.6 Ų131.670%0.764%0.639SS**Hα-helixtrans-69.6-36.6174.6-162.5173.9-174.91760112.9S174 R180S174-K176 PolarHBondContact O-N 3.25Å; S174-K176 WeakPolarHBondContact OG-CB 3.1Å; S174-K176 PolarHBondContact OG-N 3.44Å; K176-R180 WeakPolarHBondContact O-CB 3.47Å; K176-R180 PolarHBondContact O-N 2.83Å; K176-R180 VanDerWaalsContact O-N 3.1Å
177K74.2Confident66.4Low105 Ų105133 Ų13346%0.45764%0.64SS.*Hα-helixtrans-71.8-43.7175.4-166.1-175.2176.9-159.70110.8E173 S174 R180 Q181E173-K177 HydrophobicContact CG-CD 4.47Å; E173-K177 WeakPolarHBondContact OE1-CE 3.34Å; E173-K177 IonicContact OE1-NZ 3.18Å; E173-K177 PolarHBondContact OE1-NZ 2.97Å; S174-K177 WeakPolarHBondContact O-CA 3.45Å; S174-K177 WeakPolarHBondContact O-CB 3.35Å; S174-K177 PolarHBondContact O-N 3.14Å; K177-R180 PolarHBondContact O-N 3.27Å; K177-Q181 PolarHBondContact O-N 3.42Å
178Q73Confident66.3Low89 Ų89133.6 Ų133.642%0.41665%0.653SS.*Hα-helixtrans-60.4-46.2174.5-68.8179.4-12.300111.9E173 S174 R180 Q181 L182E173-Q178 HydrophobicContact CB-CG 4.18Å; S174-Q178 PolarHBondContact O-N 3.2Å; S174-Q178 VanDerWaalsContact O-N 3.14Å; Q178-R180 VanDerWaalsContact C-N 3.32Å; Q178-R180 PolarHBondContact O-N 3.12Å; Q178-Q181 PolarHBondContact O-N 2.99Å; Q178-L182 WeakPolarHBondContact O-CB 3.12Å; Q178-L182 PolarHBondContact O-N 3.21Å
179R75.3Confident65.5Low201 Ų201138.1 Ų138.176%0.75868%0.68SS**Hα-helixtrans-63.1-34.7174.5-76.2-179.278.3-174.75.2113K175 A183K175-R179 WeakPolarHBondContact O-CB 3.47Å; K175-R179 WeakPolarHBondContact O-CG 3.48Å; K175-R179 PolarHBondContact O-N 3.14Å; R179-A183 VanDerWaalsContact O-CB 3.23Å; R179-A183 WeakPolarHBondContact O-CB 3.3Å; R179-A183 PolarHBondContact O-N 3.13Å
180R76.9Confident66.2Low189 Ų189142 Ų14271%0.71368%0.682SS**Hα-helixtrans-68.8-39175.7-106.2-176.5173.5-177.8-2.5112.7K176 K177 Q178 R184K176-R180 WeakPolarHBondContact O-CB 3.47Å; K176-R180 PolarHBondContact O-N 2.83Å; K176-R180 VanDerWaalsContact O-N 3.1Å; K177-R180 PolarHBondContact O-N 3.27Å; Q178-R180 VanDerWaalsContact C-N 3.32Å; Q178-R180 PolarHBondContact O-N 3.12Å; R180-R184 WeakPolarHBondContact O-CB 3.23Å; R180-R184 PolarHBondContact O-N 3.3Å; R180-R184 VanDerWaalsContact O-N 3.1Å
181Q74.1Confident66.9Low78 Ų78138.9 Ų138.936%0.36467%0.672SS.*Hα-helixtrans-69.4-44175.8-74.3170.2-15.100111K177 Q178 A183 R184 G185K177-Q181 PolarHBondContact O-N 3.42Å; Q178-Q181 PolarHBondContact O-N 2.99Å; Q181-A183 VanDerWaalsContact C-N 3.32Å; Q181-A183 PolarHBondContact O-N 3.35Å; Q181-R184 PolarHBondContact O-N 3.4Å; Q181-R184 VanDerWaalsContact O-N 3.17Å; Q181-G185 PolarHBondContact O-N 3.41Å
182L74.3Confident67.5Low106 Ų106135.6 Ų135.656%0.55566%0.661SS**Hα-helixtrans-58.1-42171.7-103.7115.8000112.5Q178 R184 G185 Y187Q178-L182 WeakPolarHBondContact O-CB 3.12Å; Q178-L182 PolarHBondContact O-N 3.21Å; L182-R184 VanDerWaalsContact C-N 3.31Å; L182-R184 PolarHBondContact O-N 3.07Å; L182-G185 PolarHBondContact O-N 3.08Å; L182-Y187 WeakPolarHBondContact CD1-OH 3.31Å; L182-Y187 HydrophobicContact CD2-CE2 4.48Å; L182-Y187 HydrophobicContact CG-CE2 4.01Å; L182-Y187 WeakPolarHBondContact CG-OH 3.35Å
183A75Confident67.9Low89 Ų89131.2 Ų131.274%0.73665%0.647SS**Hα-helixtrans-72.9-20.417900000113.9R179 Q181R179-A183 VanDerWaalsContact O-CB 3.23Å; R179-A183 WeakPolarHBondContact O-CB 3.3Å; R179-A183 PolarHBondContact O-N 3.13Å; Q181-A183 VanDerWaalsContact C-N 3.32Å; Q181-A183 PolarHBondContact O-N 3.35Å
184R73.9Confident68.2Low198 Ų198134.6 Ų134.675%0.74766%0.664SS**Hα-helixtrans-84.6-8.8176-96.5-175.7171.4-179.3-5.3113.7R180 Q181 L182 D186R180-R184 WeakPolarHBondContact O-CB 3.23Å; R180-R184 PolarHBondContact O-N 3.3Å; R180-R184 VanDerWaalsContact O-N 3.1Å; Q181-R184 PolarHBondContact O-N 3.4Å; Q181-R184 VanDerWaalsContact O-N 3.17Å; L182-R184 VanDerWaalsContact C-N 3.31Å; L182-R184 PolarHBondContact O-N 3.07Å; R184-D186 PolarHBondContact O-N 2.92Å
185G67.7Low68.1Low59 Ų59138.7 Ų138.761%0.60868%0.675SS**THydrogen-bonded Turntrans68.513.1-175.800000113.8Q181 L182 Y187Q181-G185 PolarHBondContact O-N 3.41Å; L182-G185 PolarHBondContact O-N 3.08Å; G185-Y187 PolarHBondContact O-N 3.46Å
186D60.8Low67.8Low110 Ų110136.4 Ų136.459%0.58867%0.67SS**  trans-78.171.6177.6-70.4-35000109.5R184R184-D186 PolarHBondContact O-N 2.92Å
187Y59.2Low67.4Low171 Ų171134.5 Ų134.567%0.67167%0.668SS**  trans-98.9110.9158.8-82.8-84.1000108L182 G185 M189L182-Y187 WeakPolarHBondContact CD1-OH 3.31Å; L182-Y187 HydrophobicContact CD2-CE2 4.48Å; L182-Y187 HydrophobicContact CG-CE2 4.01Å; L182-Y187 WeakPolarHBondContact CG-OH 3.35Å; G185-Y187 PolarHBondContact O-N 3.46Å; Y187-M189 PolarHBondContact O-N 2.83Å
188A54.4Low66.9Low97 Ų97137 Ų13780%0.80269%0.685SS**  trans-57.3119.9162.700000108.6
189M37.8Very low66.3Low257 Ų257141.4 Ų141.4100%1.26671%0.71SS**  trans-57.90144.1-97.4-160.5-96.600108.7Y187Y187-M189 PolarHBondContact O-N 2.83Å

Retrieved 189 of 189 residues in 327.6 ms (Link to these results)

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