A0A087XK81_POEFO Loading...

Uridine-cytidine kinase

Phosphorylates uridine and cytidine to uridine monophosphate and cytidine monophosphate. Does not phosphorylate deoxyribonucleosides or purine ribonucleosides. Can use ATP or GTP as a phosphate donor.

AlphaFold DB , UniProt , Accession A0A087XK81, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 275 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
1M41.6Very low39.1Very low248 Ų248155.3 Ų155.3100%1.22285%0.848SS**  0101.50-88.1176.7165.400106.5
2E34.7Very low39.4Very low190 Ų190156.8 Ų156.889%0.88884%0.84SS**  trans-151.491.1166.7-127.4171.2-174.900106.2L4E2-L4 PolarHBondContact O-N 3.2Å
3E36.7Very low40Very low200 Ų200154.5 Ų154.594%0.93584%0.839SS**  trans-79.5106.7167-84.1-177.5158.700107.3G5E3-G5 PolarHBondContact O-N 3.3Å
4L41Very low41.3Very low166 Ų166156 Ų15687%0.86983%0.826SS**  trans-73.6107.5167.7-78.1161.6000108E2 V6E2-L4 PolarHBondContact O-N 3.2Å; L4-V6 PolarHBondContact O-N 3.46Å
5G35.9Very low43.2Very low70 Ų70151.8 Ų151.872%0.72280%0.8SS**  trans-55.4122.1175.800000111.7E3 T7E3-G5 PolarHBondContact O-N 3.3Å; G5-T7 PolarHBondContact O-N 2.87Å
6V39Very low45.7Very low146 Ų146155.3 Ų155.389%0.88580%0.799SS**  trans-63.3112163.5178.50000106.6L4 D8L4-V6 PolarHBondContact O-N 3.46Å; V6-D8 PolarHBondContact O-N 3.41Å
7T38.5Very low48.6Very low126 Ų126146.5 Ų146.577%0.77375%0.754SS**  trans-70.5123.117334.50000108.5G5 E9G5-T7 PolarHBondContact O-N 2.87Å; T7-E9 PolarHBondContact O-N 2.88Å
8D38Very low51.2Low159 Ų159141 Ų14185%0.8572%0.724SS**  trans-60.897.8174.1-16010.5000108.2V6 A10V6-D8 PolarHBondContact O-N 3.41Å; D8-A10 VanDerWaalsContact C-N 3.28Å; D8-A10 PolarHBondContact O-N 2.87Å
9E41Very low53.7Low170 Ų170133.7 Ų133.779%0.79469%0.686SS**  trans-59.695.2167.6-84.9-95156.300107T7 E11T7-E9 PolarHBondContact O-N 2.88Å; E9-E11 PolarHBondContact O-N 3.28Å
10A42.4Very low56Low84 Ų84127 Ų12769%0.69465%0.652SS**  trans-41.7114177.100000110.2D8 K12D8-A10 VanDerWaalsContact C-N 3.28Å; D8-A10 PolarHBondContact O-N 2.87Å; A10-K12 PolarHBondContact O-N 3.46Å
11E40.8Very low58Low149 Ų149121 Ų12170%0.69662%0.621SS**  trans-50.3103.6-179.4-85.4-163.2128.300109.3E9 R14E9-E11 PolarHBondContact O-N 3.28Å; E11-R14 IonicContact OE1-CZ 2.92Å; E11-R14 IonicContact OE1-NE 2.77Å; E11-R14 IonicContact OE1-NH2 3.09Å; E11-R14 PolarHBondContact OE1-NH2 2.78Å
12K42.9Very low60.7Low174 Ų174109.1 Ų109.176%0.75756%0.563SS**  trans-52.1131.4166.8-77.3177.7-179.1169.20106.7A10 R14A10-K12 PolarHBondContact O-N 3.46Å; K12-R14 PolarHBondContact O-N 3.28Å
13P48Very low63.8Low126 Ų126100.1 Ų100.182%0.81852%0.52SS*.  trans-53.7115.1-179.919.3-29.8000108.1H15P13-H15 PolarHBondContact O-N 3.11Å
14R57.5Low66.7Low176 Ų17690.6 Ų90.666%0.66448%0.476SS*.  trans-61.2113.7-176-65.4-171.6-166.3-173.16107.5E11 K12 R16E11-R14 IonicContact OE1-CZ 2.92Å; E11-R14 IonicContact OE1-NE 2.77Å; E11-R14 IonicContact OE1-NH2 3.09Å; E11-R14 PolarHBondContact OE1-NH2 2.78Å; K12-R14 PolarHBondContact O-N 3.28Å; R14-R16 PolarHBondContact O-N 3.13Å
15H69.3Low69.4Low93 Ų9382.8 Ų82.843%0.43144%0.435SS..  trans-65.598.9179.3-174.8-76.3000109P13 A126 D127P13-H15 PolarHBondContact O-N 3.11Å; H15-A126 PolarHBondContact CE1-O 2.69Å; H15-D127 VanDerWaalsContact CE1-CA 3.48Å; H15-D127 WeakPolarHBondContact CE1-CA 3.4Å; H15-D127 IonicContact CE1-OD1 3.1Å; H15-D127 PolarHBondContact CE1-OD1 2.87Å; H15-D127 IonicContact NE2-OD1 3.95Å; H15-D127 PolarHBondContact NE2-OD1 3.11Å
16R83.8Confident72.3Confident208 Ų20880.2 Ų80.279%0.78541%0.406SS*.  trans-89.9116.4-179.7-74.2-172.1176.5-170.20.1109.5R14R14-R16 PolarHBondContact O-N 3.13Å
17P94.4Very high75.1Confident5 Ų574.2 Ų74.23%0.03237%0.371CS..  trans-66.8145.9178.626.6-33.7000111.6L19 I98 A126 D127 V129 H147P17-L19 HydrophobicContact CB-CD2 4.17Å; P17-L19 HydrophobicContact CG-CD2 4.01Å; P17-L19 PolarHBondContact O-N 2.9Å; P17-I98 HydrophobicContact CG-CG2 3.96Å; P17-I98 VanDerWaalsContact CG-O 3.31Å; P17-I98 WeakPolarHBondContact CG-O 3.35Å; P17-A126 WeakPolarHBondContact CB-O 3.46Å; P17-D127 CarbonylContact C-O 3.56Å; P17-D127 WeakPolarHBondContact CA-O 3.25Å; P17-V129 HydrophobicContact CB-CG2 4.25Å; P17-H147 PolarHBondContact O-CE1 3.13Å; P17-H147 VanDerWaalsContact O-CE1 3.22Å
18F96.8Very high77.9Confident48 Ų4868.2 Ų68.221%0.21134%0.335CS..EExtended strand (participates in β ladder)trans-81.8100166.2-164.8-91.8000110I20 D127 V128 V129 H147 M148 H220 I224F18-I20 HydrophobicContact CD1-CD1 3.96Å; F18-I20 HydrophobicContact CD1-CG1 3.58Å; F18-I20 HydrophobicContact CE1-CD1 3.98Å; F18-I20 HydrophobicContact CE1-CG1 3.67Å; F18-D127 PolarHBondContact N-O 3.11Å; F18-V128 HydrophobicContact CB-CG2 4.24Å; F18-V128 WeakPolarHBondContact O-CA 3.28Å; F18-V128 WeakPolarHBondContact O-CG1 3.47Å; F18-V129 PolarHBondContact O-N 3.43Å; F18-H147 HydrophobicContact CD1-CB 4.34Å; F18-H147 HydrophobicContact CD2-CB 3.78Å; F18-H147 AromaticContact CD2-CG 3.91Å; F18-H147 HydrophobicContact CE1-CB 3.99Å; F18-H147 HydrophobicContact CE2-CB 3.37Å; F18-H147 AromaticContact CE2-CG 3.98Å; F18-H147 HydrophobicContact CG-CB 4.26Å; F18-H147 HydrophobicContact CZ-CB 3.49Å; F18-H147 VanDerWaalsContact CZ-CB 3.49Å; F18-M148 HydrophobicContact CE1-CB 3.9Å; F18-M148 HydrophobicContact CZ-CB 4.17Å; F18-H220 AromaticContact CZ-NE2 3.96Å; F18-I224 HydrophobicContact CB-CD1 4.14Å; F18-I224 HydrophobicContact CB-CG2 4.26Å; F18-I224 HydrophobicContact CD1-CD1 3.55Å; F18-I224 HydrophobicContact CD2-CD1 4.03Å; F18-I224 HydrophobicContact CE1-CD1 3.83Å; F18-I224 HydrophobicContact CE2-CD1 4.29Å; F18-I224 HydrophobicContact CG-CD1 3.64Å; F18-I224 HydrophobicContact CZ-CD1 4.19Å
19L98.1Very high80.6Confident2 Ų261.1 Ų61.11%0.0130%0.299CS..EExtended strand (participates in β ladder)trans-76.8123.1176-53.5-176.7000112.1P17 L95 I98 A99 V129 M145 F146 H147 M148P17-L19 HydrophobicContact CB-CD2 4.17Å; P17-L19 HydrophobicContact CG-CD2 4.01Å; P17-L19 PolarHBondContact O-N 2.9Å; L19-L95 HydrophobicContact CD1-CD2 4.49Å; L19-I98 HydrophobicContact CD2-CG2 3.87Å; L19-A99 HydrophobicContact CD1-CB 4.36Å; L19-V129 HydrophobicContact CD2-CB 3.72Å; L19-V129 HydrophobicContact CD2-CG1 4.45Å; L19-V129 HydrophobicContact CD2-CG2 4.09Å; L19-M145 HydrophobicContact CD1-CB 4.17Å; L19-F146 HydrophobicContact CB-CD1 4.02Å; L19-H147 PolarHBondContact N-CE1 3.43Å; L19-H147 PolarHBondContact N-ND1 3.34Å; L19-H147 PolarHBondContact O-N 3.45Å; L19-H147 PolarHBondContact O-ND1 2.92Å; L19-M148 PolarHBondContact O-N 3.02Å
20I98.6Very high83.4Confident0 Ų053.6 Ų53.60%026%0.264CS..EExtended strand (participates in β ladder)trans-115.6119.8173.8-53.5-176.7000108.4F18 V22 V128 V129 L130 F131 M148 L150 I221F18-I20 HydrophobicContact CD1-CD1 3.96Å; F18-I20 HydrophobicContact CD1-CG1 3.58Å; F18-I20 HydrophobicContact CE1-CD1 3.98Å; F18-I20 HydrophobicContact CE1-CG1 3.67Å; I20-V22 HydrophobicContact CG2-CG2 4.29Å; I20-V128 HydrophobicContact CD1-CG1 3.91Å; I20-V128 HydrophobicContact CG1-CG1 4.22Å; I20-V129 PolarHBondContact N-O 3.11Å; I20-L130 HydrophobicContact CB-CD2 3.78Å; I20-L130 HydrophobicContact CD1-CD2 3.87Å; I20-L130 HydrophobicContact CG1-CD2 4.22Å; I20-L130 HydrophobicContact CG2-CD2 4.16Å; I20-L130 CarbonylContact O-C 3.59Å; I20-L130 WeakPolarHBondContact O-CA 3.39Å; I20-F131 PolarHBondContact O-N 3.22Å; I20-M148 CarbonylContact C-O 3.58Å; I20-M148 WeakPolarHBondContact CA-O 3.42Å; I20-M148 HydrophobicContact CG1-CB 4.29Å; I20-M148 HydrophobicContact CG2-CB 4.27Å; I20-M148 HydrophobicContact CG2-CG 4.49Å; I20-L150 HydrophobicContact CG2-CD1 3.81Å; I20-L150 HydrophobicContact CG2-CG 3.94Å; I20-I221 HydrophobicContact CD1-CD1 4.06Å; I20-I221 HydrophobicContact CD1-CG1 4.03Å
21G98.8Very high86Confident0 Ų052.6 Ų52.60%025%0.252CS..EExtended strand (participates in β ladder)trans-89.9136.7173.200000110.8F131 F137 M148 L150G21-F131 CarbonylContact C-O 3.56Å; G21-F131 WeakPolarHBondContact CA-O 3.4Å; G21-F137 WeakPolarHBondContact O-CZ 3.27Å; G21-M148 PolarHBondContact N-O 2.93Å; G21-L150 PolarHBondContact O-N 3.17Å
22V98.9Very high88.7Confident0 Ų049 Ų490%024%0.24CC..EExtended strand (participates in β ladder)trans-126107.5179.4-172.50000109.8I20 K30 F131 E132 G133 L150 V152I20-V22 HydrophobicContact CG2-CG2 4.29Å; V22-K30 HydrophobicContact CG1-CB 4.21Å; V22-K30 HydrophobicContact CG1-CG 4.35Å; V22-F131 PolarHBondContact N-O 3.47Å; V22-E132 HydrophobicContact CB-CB 3.99Å; V22-E132 CarbonylContact O-C 3.59Å; V22-E132 VanDerWaalsContact O-CA 3.24Å; V22-E132 WeakPolarHBondContact O-CA 3.44Å; V22-G133 PolarHBondContact O-N 2.83Å; V22-L150 CarbonylContact C-O 3.58Å; V22-L150 WeakPolarHBondContact CA-O 3.38Å; V22-L150 HydrophobicContact CG1-CB 4.46Å; V22-L150 HydrophobicContact CG2-CB 4.32Å; V22-L150 HydrophobicContact CG2-CD1 4.2Å; V22-V152 HydrophobicContact CG1-CG2 4Å
23S98.8Very high91.3Very high0 Ų040.7 Ų40.70%020%0.204CC..EExtended strand (participates in β ladder)trans-113.5179.2179.1-154.60000113.4K30 G133 I134 F137 L150 F151 V152S23-K30 VanDerWaalsContact C-CD 3.46Å; S23-G133 WeakPolarHBondContact CA-O 3.49Å; S23-G133 PolarHBondContact OG-O 3.41Å; S23-I134 PolarHBondContact OG-O 3.26Å; S23-F137 VanDerWaalsContact CB-CD2 3.43Å; S23-L150 PolarHBondContact N-O 3.37Å; S23-F151 CarbonylContact O-C 3.54Å; S23-F151 WeakPolarHBondContact O-CA 3.49Å; S23-V152 PolarHBondContact O-N 3.08Å
24G98.3Very high93.7Very high0 Ų034.7 Ų34.70%017%0.165CC..  trans136.7157.7-172.500000112.5K30G24-K30 WeakPolarHBondContact O-CD 3.43Å; G24-K30 WeakPolarHBondContact O-CE 3.26Å; G24-K30 PolarHBondContact O-NZ 3.31Å
25G97.8Very high95.6Very high2 Ų228.8 Ų28.82%0.02115%0.154CC..SBendtrans-58.3159.5-178.300000113.4A27 S28 K30G25-A27 PolarHBondContact O-N 3.19Å; G25-S28 VanDerWaalsContact O-CB 3.25Å; G25-S28 WeakPolarHBondContact O-CB 3.37Å; G25-S28 PolarHBondContact O-N 3.18Å; G25-S28 VanDerWaalsContact O-N 3.11Å; G25-S28 PolarHBondContact O-OG 3.16Å; G25-K30 PolarHBondContact O-NZ 3.5Å
26T97.2Very high96.9Very high17 Ų1726.6 Ų26.610%0.10414%0.143CC..THydrogen-bonded Turntrans-50.9139.7171.8-167.10000110.8S28 R159 V185T26-S28 PolarHBondContact O-N 3.16Å; T26-S28 VanDerWaalsContact O-N 3.11Å; T26-R159 WeakPolarHBondContact O-CB 3.45Å; T26-R159 WeakPolarHBondContact O-CD 3.45Å; T26-V185 HydrophobicContact CG2-CG1 3.78Å
27A96.6Very high97.6Very high19 Ų1916.8 Ų16.816%0.15711%0.106CC..THydrogen-bonded Turntrans56.919.1-177.100000116.4G25 G29 R159 R162 R163G25-A27 PolarHBondContact O-N 3.19Å; A27-G29 PolarHBondContact O-N 3.09Å; A27-R159 WeakPolarHBondContact CB-O 3.5Å; A27-R162 HydrophobicContact CB-CB 3.91Å; A27-R162 WeakPolarHBondContact O-CD 3.41Å; A27-R163 HydrophobicContact CB-CB 4.08Å
28S97.1Very high97.7Very high0 Ų017.1 Ų17.10%011%0.107CC..SBendtrans-70.2-19.717168.40000113.9G25 T26 K30 V152 T154G25-S28 VanDerWaalsContact O-CB 3.25Å; G25-S28 WeakPolarHBondContact O-CB 3.37Å; G25-S28 PolarHBondContact O-N 3.18Å; G25-S28 VanDerWaalsContact O-N 3.11Å; G25-S28 PolarHBondContact O-OG 3.16Å; T26-S28 PolarHBondContact O-N 3.16Å; T26-S28 VanDerWaalsContact O-N 3.11Å; S28-K30 WeakPolarHBondContact OG-CG 3.29Å; S28-V152 WeakPolarHBondContact CB-O 3.21Å; S28-V152 WeakPolarHBondContact O-CG1 3.25Å; S28-V152 PolarHBondContact OG-O 3.28Å; S28-T154 PolarHBondContact O-OG1 3Å
29G96.6Very high97.6Very high11 Ų1119.2 Ų19.211%0.11312%0.118CC..SBendtrans106.310.5-178.500000114.8A27 S31 T32 V33A27-G29 PolarHBondContact O-N 3.09Å; G29-S31 PolarHBondContact O-N 3.21Å; G29-T32 CarbonylContact O-C 3.59Å; G29-T32 WeakPolarHBondContact O-CB 3.38Å; G29-T32 PolarHBondContact O-N 3.08Å; G29-T32 VanDerWaalsContact O-N 3.15Å; G29-V33 WeakPolarHBondContact O-CG2 3.36Å; G29-V33 PolarHBondContact O-N 3.15Å
30K98.1Very high97.6Very high12 Ų1222.3 Ų22.35%0.05213%0.134CC..Hα-helixtrans-45-62.2174.1-60.4179.8-62.9-66.60113.1V22 S23 G24 G25 S28 T32 V33 C34 E132 V152V22-K30 HydrophobicContact CG1-CB 4.21Å; V22-K30 HydrophobicContact CG1-CG 4.35Å; S23-K30 VanDerWaalsContact C-CD 3.46Å; G24-K30 WeakPolarHBondContact O-CD 3.43Å; G24-K30 WeakPolarHBondContact O-CE 3.26Å; G24-K30 PolarHBondContact O-NZ 3.31Å; G25-K30 PolarHBondContact O-NZ 3.5Å; S28-K30 WeakPolarHBondContact OG-CG 3.29Å; K30-T32 PolarHBondContact O-N 3.46Å; K30-V33 PolarHBondContact O-N 3.33Å; K30-V33 VanDerWaalsContact O-N 3.14Å; K30-C34 PolarHBondContact O-N 3.36Å; K30-C34 PolarHBondContact O-SG 3.47Å; K30-C34 VanDerWaalsContact O-SG 3.36Å; K30-E132 WeakPolarHBondContact CE-OE2 3.36Å; K30-V152 HydrophobicContact CG-CB 4.2Å; K30-V152 HydrophobicContact CG-CG2 4.28Å
31S97.3Very high97.4Very high63 Ų6323.3 Ų23.344%0.44114%0.14SC..Hα-helixtrans-62.5-33.6-177.1-35.90000111.2G29 A35 E132G29-S31 PolarHBondContact O-N 3.21Å; S31-A35 VanDerWaalsContact O-CB 3.28Å; S31-A35 WeakPolarHBondContact O-CB 3.44Å; S31-A35 PolarHBondContact O-N 2.92Å; S31-E132 VanDerWaalsContact OG-CD 3.29Å; S31-E132 PolarHBondContact OG-OE1 3.09Å; S31-E132 PolarHBondContact OG-OE2 3.37Å
32T97.1Very high97.2Very high72 Ų7224.7 Ų24.744%0.44215%0.154SC..Hα-helixtrans-69.6-41.1176.2-410000112.4G29 K30 A35 K36 V208G29-T32 CarbonylContact O-C 3.59Å; G29-T32 WeakPolarHBondContact O-CB 3.38Å; G29-T32 PolarHBondContact O-N 3.08Å; G29-T32 VanDerWaalsContact O-N 3.15Å; K30-T32 PolarHBondContact O-N 3.46Å; T32-A35 PolarHBondContact O-N 3.46Å; T32-K36 WeakPolarHBondContact O-CB 3.46Å; T32-K36 PolarHBondContact O-N 3.13Å; T32-V208 HydrophobicContact CG2-CB 3.69Å; T32-V208 HydrophobicContact CG2-CG1 3.96Å; T32-V208 HydrophobicContact CG2-CG2 3.76Å
33V97.9Very high96.9Very high1 Ų125.7 Ų25.71%0.00616%0.158CC..Hα-helixtrans-62.6-48.1173.6166.90000110G29 K30 A35 K36 I37 V152 G207 I214G29-V33 WeakPolarHBondContact O-CG2 3.36Å; G29-V33 PolarHBondContact O-N 3.15Å; K30-V33 PolarHBondContact O-N 3.33Å; K30-V33 VanDerWaalsContact O-N 3.14Å; V33-A35 PolarHBondContact O-N 3.3Å; V33-K36 PolarHBondContact O-N 3.22Å; V33-I37 HydrophobicContact CG1-CD1 3.93Å; V33-I37 WeakPolarHBondContact O-CG1 3.44Å; V33-I37 PolarHBondContact O-N 3.47Å; V33-V152 HydrophobicContact CG2-CG2 4.39Å; V33-G207 VanDerWaalsContact CG2-C 3.47Å; V33-I214 HydrophobicContact CG1-CG1 4.33Å; V33-I214 HydrophobicContact CG2-CD1 4.47Å
34C98.1Very high96.3Very high0 Ų030 Ų300%018%0.178CC..Hα-helixtrans-59-45.7176.4-64.90000111.7K30 K36 I37 M38 I55 L130K30-C34 PolarHBondContact O-N 3.36Å; K30-C34 PolarHBondContact O-SG 3.47Å; K30-C34 VanDerWaalsContact O-SG 3.36Å; C34-K36 VanDerWaalsContact C-N 3.32Å; C34-K36 PolarHBondContact O-N 2.85Å; C34-I37 PolarHBondContact O-N 3.1Å; C34-M38 PolarHBondContact O-N 3.3Å; C34-I55 HydrophobicContact CB-CD1 3.69Å; C34-I55 HydrophobicContact CB-CG1 4.14Å; C34-I55 HydrophobicContact CB-CG2 4.35Å; C34-L130 HydrophobicContact CB-CD1 4.1Å
35A97.3Very high95.8Very high52 Ų5238.1 Ų38.143%0.4321%0.214SC..Hα-helixtrans-60.7-41176.400000111.9S31 T32 V33 M38 E39S31-A35 VanDerWaalsContact O-CB 3.28Å; S31-A35 WeakPolarHBondContact O-CB 3.44Å; S31-A35 PolarHBondContact O-N 2.92Å; T32-A35 PolarHBondContact O-N 3.46Å; V33-A35 PolarHBondContact O-N 3.3Å; A35-M38 WeakPolarHBondContact O-CB 3.31Å; A35-M38 PolarHBondContact O-N 3.39Å; A35-E39 WeakPolarHBondContact O-CB 3.41Å; A35-E39 PolarHBondContact O-N 3.31Å
36K97.9Very high95.4Very high47 Ų4740.2 Ų40.220%0.20423%0.226CC..Hα-helixtrans-66.9-37.8178-166.958172.2179.50112.5T32 V33 C34 E39 L40 V208 M211 I214T32-K36 WeakPolarHBondContact O-CB 3.46Å; T32-K36 PolarHBondContact O-N 3.13Å; V33-K36 PolarHBondContact O-N 3.22Å; C34-K36 VanDerWaalsContact C-N 3.32Å; C34-K36 PolarHBondContact O-N 2.85Å; K36-E39 HydrophobicContact CD-CB 4.48Å; K36-E39 WeakPolarHBondContact CD-OE2 3.32Å; K36-E39 IonicContact NZ-OE1 2.92Å; K36-E39 PolarHBondContact NZ-OE1 3.32Å; K36-E39 IonicContact NZ-OE2 2.78Å; K36-E39 PolarHBondContact NZ-OE2 3.02Å; K36-E39 WeakPolarHBondContact O-CB 3.43Å; K36-E39 PolarHBondContact O-N 3.16Å; K36-L40 HydrophobicContact CG-CD1 4.23Å; K36-L40 WeakPolarHBondContact O-CG 3.4Å; K36-L40 PolarHBondContact O-N 3.37Å; K36-V208 HydrophobicContact CB-CG2 4.24Å; K36-V208 HydrophobicContact CG-CG2 4.35Å; K36-M211 HydrophobicContact CG-SD 4.44Å; K36-I214 HydrophobicContact CB-CD1 4.39Å; K36-I214 HydrophobicContact CG-CD1 4.19Å; K36-I214 HydrophobicContact CG-CG2 4.22Å
37I97.4Very high95.1Very high1 Ų143 Ų431%0.00524%0.24CC..Hα-helixtrans-60.4-48172.6-68.8164.8000110.2V33 C34 E39 L40 L41 L130 I214 I217 V218 I221V33-I37 HydrophobicContact CG1-CD1 3.93Å; V33-I37 WeakPolarHBondContact O-CG1 3.44Å; V33-I37 PolarHBondContact O-N 3.47Å; C34-I37 PolarHBondContact O-N 3.1Å; I37-E39 VanDerWaalsContact C-N 3.28Å; I37-E39 PolarHBondContact O-N 3.35Å; I37-L40 PolarHBondContact O-N 2.93Å; I37-L41 HydrophobicContact CG2-CD1 3.67Å; I37-L41 HydrophobicContact CG2-CG 4.43Å; I37-L41 WeakPolarHBondContact O-CB 3.41Å; I37-L41 VanDerWaalsContact O-CG 3.26Å; I37-L41 WeakPolarHBondContact O-CG 3.39Å; I37-L41 PolarHBondContact O-N 2.92Å; I37-L130 HydrophobicContact CB-CD1 4.35Å; I37-L130 HydrophobicContact CG2-CD1 4.08Å; I37-I214 HydrophobicContact CG1-CG2 4.05Å; I37-I217 HydrophobicContact CD1-CB 4.36Å; I37-I217 HydrophobicContact CD1-CG2 3.79Å; I37-V218 HydrophobicContact CB-CG2 4.3Å; I37-V218 HydrophobicContact CG1-CG2 4.13Å; I37-V218 HydrophobicContact CG2-CG2 4.14Å; I37-I221 HydrophobicContact CG2-CD1 3.65Å
38M96.2Very high94.5Very high12 Ų1246.4 Ų46.46%0.05925%0.252CS..Hα-helixtrans-60.7-36.1176-75.1-68.8-73.900113.3C34 A35 G42 Q43 H44 V53 I55C34-M38 PolarHBondContact O-N 3.3Å; A35-M38 WeakPolarHBondContact O-CB 3.31Å; A35-M38 PolarHBondContact O-N 3.39Å; M38-G42 PolarHBondContact O-N 3.47Å; M38-Q43 HydrophobicContact CE-CB 3.49Å; M38-Q43 VanDerWaalsContact CE-CB 3.49Å; M38-Q43 PolarHBondContact O-N 3.13Å; M38-Q43 HydrophobicContact SD-CB 3.77Å; M38-Q43 HydrophobicContact SD-CG 4.42Å; M38-H44 PolarHBondContact O-N 3.36Å; M38-V53 VanDerWaalsContact CE-O 3.24Å; M38-V53 WeakPolarHBondContact CE-O 3.32Å; M38-V53 HydrophobicContact SD-CB 3.67Å; M38-V53 HydrophobicContact SD-CG1 3.59Å; M38-V53 VanDerWaalsContact SD-CG1 3.59Å; M38-I55 HydrophobicContact CB-CD1 4.35Å; M38-I55 HydrophobicContact CG-CD1 3.37Å; M38-I55 HydrophobicContact CG-CG1 3.76Å; M38-I55 HydrophobicContact SD-CG1 4.37Å
39E96.6Very high94.2Very high92 Ų9254 Ų5443%0.4328%0.281SS..Hα-helixtrans-62.7-54.4176-170.7-163134.200110.8A35 K36 I37 L41 G42 H44A35-E39 WeakPolarHBondContact O-CB 3.41Å; A35-E39 PolarHBondContact O-N 3.31Å; K36-E39 HydrophobicContact CD-CB 4.48Å; K36-E39 WeakPolarHBondContact CD-OE2 3.32Å; K36-E39 IonicContact NZ-OE1 2.92Å; K36-E39 PolarHBondContact NZ-OE1 3.32Å; K36-E39 IonicContact NZ-OE2 2.78Å; K36-E39 PolarHBondContact NZ-OE2 3.02Å; K36-E39 WeakPolarHBondContact O-CB 3.43Å; K36-E39 PolarHBondContact O-N 3.16Å; I37-E39 VanDerWaalsContact C-N 3.28Å; I37-E39 PolarHBondContact O-N 3.35Å; E39-L41 VanDerWaalsContact C-N 3.3Å; E39-L41 PolarHBondContact O-N 3.21Å; E39-G42 PolarHBondContact O-N 3.17Å; E39-H44 WeakPolarHBondContact CA-ND1 3.2Å; E39-H44 PolarHBondContact O-CE1 3.39Å; E39-H44 PolarHBondContact O-ND1 3.16Å
40L96.5Very high93.8Very high67 Ų6760.5 Ų60.535%0.35131%0.309SS..Hα-helixtrans-66.6-29.3-176.8-67.7171.8000113.1K36 I37 G42 M211 I214 V218K36-L40 HydrophobicContact CG-CD1 4.23Å; K36-L40 WeakPolarHBondContact O-CG 3.4Å; K36-L40 PolarHBondContact O-N 3.37Å; I37-L40 PolarHBondContact O-N 2.93Å; L40-G42 PolarHBondContact O-N 3.26Å; L40-M211 HydrophobicContact CD1-CE 4.04Å; L40-I214 HydrophobicContact CD1-CG2 3.67Å; L40-V218 HydrophobicContact CB-CG1 4.22Å; L40-V218 HydrophobicContact CB-CG2 3.97Å; L40-V218 HydrophobicContact CD1-CG2 3.95Å
41L95.6Very high93.6Very high22 Ų2264.1 Ų64.112%0.11532%0.322CS..THydrogen-bonded Turntrans-79.9-2.7172.7-67171000113.6I37 E39 Q43 V53 V218 I221 Q222I37-L41 HydrophobicContact CG2-CD1 3.67Å; I37-L41 HydrophobicContact CG2-CG 4.43Å; I37-L41 WeakPolarHBondContact O-CB 3.41Å; I37-L41 VanDerWaalsContact O-CG 3.26Å; I37-L41 WeakPolarHBondContact O-CG 3.39Å; I37-L41 PolarHBondContact O-N 2.92Å; E39-L41 VanDerWaalsContact C-N 3.3Å; E39-L41 PolarHBondContact O-N 3.21Å; L41-Q43 HydrophobicContact CB-CG 3.9Å; L41-Q43 PolarHBondContact O-N 3.01Å; L41-Q43 VanDerWaalsContact O-N 3.15Å; L41-V53 HydrophobicContact CD1-CG2 4.02Å; L41-V218 HydrophobicContact CD2-CG1 3.83Å; L41-V218 HydrophobicContact CG-CG1 4.23Å; L41-I221 HydrophobicContact CD1-CB 4.17Å; L41-I221 HydrophobicContact CD1-CD1 4.23Å; L41-I221 HydrophobicContact CD1-CG2 3.53Å; L41-I221 HydrophobicContact CD2-CG2 4.15Å; L41-Q222 HydrophobicContact CD2-CG 3.5Å; L41-Q222 VanDerWaalsContact CD2-CG 3.5Å
42G93.8Very high93.4Very high29 Ų2965.7 Ų65.730%0.29932%0.321SS..THydrogen-bonded Turntrans70.23-177.300000114.9M38 E39 L40 H44 K45M38-G42 PolarHBondContact O-N 3.47Å; E39-G42 PolarHBondContact O-N 3.17Å; L40-G42 PolarHBondContact O-N 3.26Å; G42-H44 VanDerWaalsContact C-N 3.26Å; G42-H44 PolarHBondContact O-N 2.77Å; G42-K45 PolarHBondContact O-N 3Å
43Q91.9Very high93.4Very high20 Ų2062.2 Ų62.29%0.09330%0.3CS..G310 helixtrans-69.9-21.5-173.6-65.7-64-59.600113.4M38 L41 K45 V46 R51 V53M38-Q43 HydrophobicContact CE-CB 3.49Å; M38-Q43 VanDerWaalsContact CE-CB 3.49Å; M38-Q43 PolarHBondContact O-N 3.13Å; M38-Q43 HydrophobicContact SD-CB 3.77Å; M38-Q43 HydrophobicContact SD-CG 4.42Å; L41-Q43 HydrophobicContact CB-CG 3.9Å; L41-Q43 PolarHBondContact O-N 3.01Å; L41-Q43 VanDerWaalsContact O-N 3.15Å; Q43-K45 PolarHBondContact O-N 3.28Å; Q43-V46 PolarHBondContact O-N 2.92Å; Q43-R51 PolarHBondContact O-NE 2.92Å; Q43-V53 HydrophobicContact CG-CB 4.02Å; Q43-V53 HydrophobicContact CG-CG2 4.01Å
44H86.4Confident93.3Very high90 Ų9062.8 Ų62.842%0.41731%0.305SS..G310 helixtrans-62.5-25.1174.968.9-74.7000113.7M38 E39 G42M38-H44 PolarHBondContact O-N 3.36Å; E39-H44 WeakPolarHBondContact CA-ND1 3.2Å; E39-H44 PolarHBondContact O-CE1 3.39Å; E39-H44 PolarHBondContact O-ND1 3.16Å; G42-H44 VanDerWaalsContact C-N 3.26Å; G42-H44 PolarHBondContact O-N 2.77Å
45K88.1Confident93.3Very high172 Ų17265.9 Ų65.975%0.74832%0.32SS*.G310 helixtrans-92.8-10.4177.9-55.7-175-177.1178.20113.3G42 Q43G42-K45 PolarHBondContact O-N 3Å; Q43-K45 PolarHBondContact O-N 3.28Å
46V90.6Very high93.3Very high45 Ų4563.7 Ų63.727%0.27330%0.301SS..SBendtrans-83.9138.8-178.9-178.10000108.9Q43 H48 Q50 R51Q43-V46 PolarHBondContact O-N 2.92Å; V46-H48 PolarHBondContact O-N 3.34Å; V46-Q50 HydrophobicContact CG1-CB 4.03Å; V46-R51 HydrophobicContact CB-CG 4.14Å; V46-R51 HydrophobicContact CG1-CG 4.22Å; V46-R51 PolarHBondContact O-NE 3.39Å
47D90.4Very high93.3Very high77 Ų7762.6 Ų62.641%0.41230%0.3SS..  trans-55.1136174.2-179.6-98.9000110.6R49 Q50 R51D47-R49 PolarHBondContact O-N 3.01Å; D47-R49 WeakPolarHBondContact OD1-CB 3.26Å; D47-R49 WeakPolarHBondContact OD1-CG 3.42Å; D47-R49 PolarHBondContact OD1-N 3.36Å; D47-Q50 PolarHBondContact O-N 3.25Å; D47-R51 PolarHBondContact O-N 3.17Å; D47-R51 VanDerWaalsContact O-N 3.17Å
48H84.6Confident93.3Very high89 Ų8962.6 Ų62.641%0.41230%0.3SS..THydrogen-bonded Turntrans-53-27.8-176.664.4-64.7000114.5V46 Q50 Y124V46-H48 PolarHBondContact O-N 3.34Å; H48-Q50 VanDerWaalsContact C-N 3.33Å; H48-Y124 AromaticContact CD2-CE2 3.78Å
49R89.4Confident93.3Very high159 Ų15963.9 Ų63.960%0.631%0.307SS*.THydrogen-bonded Turntrans-77.1-18177.4-55.4-175.4169.3-174.8-2.7113.9D47 Y124D47-R49 PolarHBondContact O-N 3.01Å; D47-R49 WeakPolarHBondContact OD1-CB 3.26Å; D47-R49 WeakPolarHBondContact OD1-CG 3.42Å; D47-R49 PolarHBondContact OD1-N 3.36Å; R49-Y124 HydrophobicContact CB-CD2 4.25Å; R49-Y124 HydrophobicContact CB-CE2 4.28Å; R49-Y124 HydrophobicContact CB-CG 4.48Å; R49-Y124 HydrophobicContact CG-CD2 4.02Å; R49-Y124 HydrophobicContact CG-CE1 4.4Å; R49-Y124 HydrophobicContact CG-CE2 3.58Å; R49-Y124 PolarHBondContact NE-OH 2.89Å
50Q89.6Confident93.3Very high148 Ų14860.5 Ų60.569%0.69229%0.293SS*.THydrogen-bonded Turntrans-116.13.4-175.3-62.8-174.7-16.300112.9V46 D47 H48 K52V46-Q50 HydrophobicContact CG1-CB 4.03Å; D47-Q50 PolarHBondContact O-N 3.25Å; H48-Q50 VanDerWaalsContact C-N 3.33Å; Q50-K52 PolarHBondContact O-N 3.12Å
51R92.3Very high93.4Very high89 Ų8957.3 Ų57.334%0.33628%0.277SS..  trans-63.9128.3178.8-78.6179.8-173.9175.20110.3Q43 V46 D47 V53Q43-R51 PolarHBondContact O-NE 2.92Å; V46-R51 HydrophobicContact CB-CG 4.14Å; V46-R51 HydrophobicContact CG1-CG 4.22Å; V46-R51 PolarHBondContact O-NE 3.39Å; D47-R51 PolarHBondContact O-N 3.17Å; D47-R51 VanDerWaalsContact O-N 3.17Å; R51-V53 VanDerWaalsContact C-N 3.34Å
52K94.3Very high93.5Very high95 Ų9557 Ų5741%0.41327%0.274SS..SBendtrans-81.2-20.5171.5-65.8-164.9169.3-164.20112.4Q50 D127 V128 L225Q50-K52 PolarHBondContact O-N 3.12Å; K52-D127 HydrophobicContact CB-CB 4.39Å; K52-D127 WeakPolarHBondContact CB-OD2 3.4Å; K52-D127 VanDerWaalsContact CD-OD2 3.29Å; K52-D127 WeakPolarHBondContact CD-OD2 3.35Å; K52-D127 WeakPolarHBondContact CG-OD2 3.38Å; K52-D127 WeakPolarHBondContact O-CA 3.24Å; K52-D127 WeakPolarHBondContact O-CB 3.4Å; K52-D127 PolarHBondContact O-N 3.38Å; K52-V128 PolarHBondContact O-N 2.86Å; K52-L225 HydrophobicContact CB-CD1 4.47Å; K52-L225 HydrophobicContact CB-CD2 3.88Å; K52-L225 HydrophobicContact CD-CD2 4.25Å
53V96.5Very high93.6Very high0 Ų057.9 Ų57.90%027%0.272CS..EExtended strand (participates in β ladder)trans-124.9129.5176.8-1700000109.8M38 L41 Q43 R51 V128 L130 I221 L225M38-V53 VanDerWaalsContact CE-O 3.24Å; M38-V53 WeakPolarHBondContact CE-O 3.32Å; M38-V53 HydrophobicContact SD-CB 3.67Å; M38-V53 HydrophobicContact SD-CG1 3.59Å; M38-V53 VanDerWaalsContact SD-CG1 3.59Å; L41-V53 HydrophobicContact CD1-CG2 4.02Å; Q43-V53 HydrophobicContact CG-CB 4.02Å; Q43-V53 HydrophobicContact CG-CG2 4.01Å; R51-V53 VanDerWaalsContact C-N 3.34Å; V53-V128 VanDerWaalsContact CA-O 3.28Å; V53-V128 WeakPolarHBondContact CA-O 3.37Å; V53-V128 HydrophobicContact CG1-CB 4.19Å; V53-V128 HydrophobicContact CG1-CG1 4.31Å; V53-V128 HydrophobicContact CG2-CB 4.15Å; V53-L130 HydrophobicContact CG1-CD1 4.44Å; V53-L130 HydrophobicContact CG1-CG 4.28Å; V53-I221 HydrophobicContact CG2-CG2 4.07Å; V53-L225 HydrophobicContact CG2-CD1 4.15Å; V53-L225 HydrophobicContact CG2-CD2 4.47Å
54A96.4Very high93.7Very high13 Ų1361.7 Ų61.711%0.10730%0.296CS..EExtended strand (participates in β ladder)trans-117.5149.9176.400000111.1V123 A126 V128 V129 L130A54-V123 HydrophobicContact CB-CG1 3.94Å; A54-A126 HydrophobicContact CB-CB 4.15Å; A54-V128 PolarHBondContact N-O 3.07Å; A54-V129 HydrophobicContact CB-CG2 4.46Å; A54-V129 WeakPolarHBondContact O-CA 3.46Å; A54-L130 PolarHBondContact O-N 2.85Å
55I97.3Very high94.1Very high65 Ų6558.4 Ų58.433%0.33328%0.281SS..EExtended strand (participates in β ladder)trans-112.2134.5168.3-60.8170.5000107.9C34 M38 L130 E132C34-I55 HydrophobicContact CB-CD1 3.69Å; C34-I55 HydrophobicContact CB-CG1 4.14Å; C34-I55 HydrophobicContact CB-CG2 4.35Å; M38-I55 HydrophobicContact CB-CD1 4.35Å; M38-I55 HydrophobicContact CG-CD1 3.37Å; M38-I55 HydrophobicContact CG-CG1 3.76Å; M38-I55 HydrophobicContact SD-CG1 4.37Å; I55-L130 CarbonylContact C-O 3.59Å; I55-L130 VanDerWaalsContact CA-O 3.32Å; I55-L130 WeakPolarHBondContact CA-O 3.39Å; I55-L130 HydrophobicContact CG1-CB 4.16Å; I55-L130 HydrophobicContact CG1-CD1 4.1Å; I55-E132 HydrophobicContact CG2-CG 4.33Å
56I97.6Very high94.5Very high5 Ų553.4 Ų53.43%0.02627%0.266CS..EExtended strand (participates in β ladder)trans-126.6130.3170.7-57178.6000108.1F61 I98 V106 V123 V129 L130 F131 E132I56-F61 HydrophobicContact CG2-CE2 3.64Å; I56-F61 HydrophobicContact CG2-CZ 4.04Å; I56-I98 HydrophobicContact CD1-CD1 3.24Å; I56-V106 HydrophobicContact CG2-CG1 4.43Å; I56-V123 HydrophobicContact CD1-CG1 4.24Å; I56-V123 HydrophobicContact CD1-CG2 4.23Å; I56-V123 HydrophobicContact CG1-CG2 4.21Å; I56-V129 HydrophobicContact CD1-CG1 3.92Å; I56-V129 HydrophobicContact CG1-CG1 4.18Å; I56-L130 PolarHBondContact N-O 2.82Å; I56-F131 HydrophobicContact CB-CD2 3.7Å; I56-F131 HydrophobicContact CB-CE2 4.01Å; I56-F131 HydrophobicContact CG2-CD2 3.71Å; I56-F131 HydrophobicContact CG2-CE2 3.44Å; I56-F131 VanDerWaalsContact CG2-CE2 3.44Å; I56-F131 HydrophobicContact CG2-CZ 4.43Å; I56-F131 CarbonylContact O-C 3.6Å; I56-F131 WeakPolarHBondContact O-CA 3.48Å; I56-E132 PolarHBondContact O-N 3.11Å
57S97.9Very high94.7Very high25 Ų2556.5 Ų56.518%0.17529%0.287CS..EExtended strand (participates in β ladder)trans-97.2135.8177.4-170.20000110.5D59 C60 F61 E132S57-D59 PolarHBondContact O-N 3.26Å; S57-D59 PolarHBondContact OG-N 2.88Å; S57-C60 VanDerWaalsContact O-CB 3.31Å; S57-C60 WeakPolarHBondContact O-CB 3.42Å; S57-C60 PolarHBondContact O-N 3.39Å; S57-C60 VanDerWaalsContact O-N 3.15Å; S57-F61 WeakPolarHBondContact O-CD2 3.3Å; S57-F61 WeakPolarHBondContact O-CE2 3.49Å; S57-E132 CarbonylContact C-O 3.56Å; S57-E132 WeakPolarHBondContact CA-O 3.48Å; S57-E132 WeakPolarHBondContact CB-OE1 3.31Å; S57-E132 PolarHBondContact OG-OE1 3Å
58Q98.3Very high94.9Very high0 Ų058.8 Ų58.80%030%0.299CS..G310 helixtrans-59.7-27.7172.7-172.6177.62300111.8C60 F61 F86 M91 F131 E132 V136Q58-C60 PolarHBondContact O-N 2.94Å; Q58-C60 VanDerWaalsContact O-N 3.16Å; Q58-F61 WeakPolarHBondContact O-CB 3.44Å; Q58-F61 PolarHBondContact O-N 3.01Å; Q58-F86 HydrophobicContact CG-CD1 3.73Å; Q58-F86 HydrophobicContact CG-CE1 3.76Å; Q58-F86 HydrophobicContact CG-CG 4.49Å; Q58-M91 HydrophobicContact CG-SD 3.9Å; Q58-F131 HydrophobicContact CB-CE1 4.23Å; Q58-E132 WeakPolarHBondContact CB-O 3.25Å; Q58-E132 PolarHBondContact N-O 3.39Å; Q58-V136 HydrophobicContact CB-CG1 3.99Å; Q58-V136 HydrophobicContact CG-CG1 4.36Å
59D96.3Very high95.4Very high39 Ų3957.8 Ų57.821%0.20929%0.294CS..G310 helixtrans-62.1-23.4178.7-68.4-13.3000112.1S57 F61 Y62 Y109 F111S57-D59 PolarHBondContact O-N 3.26Å; S57-D59 PolarHBondContact OG-N 2.88Å; D59-F61 PolarHBondContact O-N 3.32Å; D59-F61 VanDerWaalsContact O-N 3.17Å; D59-Y62 HydrophobicContact CB-CD2 4.3Å; D59-Y62 HydrophobicContact CB-CE2 3.93Å; D59-Y62 WeakPolarHBondContact O-CD2 3.43Å; D59-Y62 PolarHBondContact O-N 3.4Å; D59-Y109 WeakPolarHBondContact O-CB 3.37Å; D59-F111 HydrophobicContact CB-CE1 4.22Å; D59-F111 HydrophobicContact CB-CZ 3.67Å; D59-F111 WeakPolarHBondContact OD2-CZ 3.48Å
60C96.5Very high95.6Very high22 Ų2253.8 Ų53.815%0.14928%0.281CS..G310 helixtrans-65-14171.8-69.50000113.7S57 Q58 V106 P107S57-C60 VanDerWaalsContact O-CB 3.31Å; S57-C60 WeakPolarHBondContact O-CB 3.42Å; S57-C60 PolarHBondContact O-N 3.39Å; S57-C60 VanDerWaalsContact O-N 3.15Å; Q58-C60 PolarHBondContact O-N 2.94Å; Q58-C60 VanDerWaalsContact O-N 3.16Å; C60-V106 HydrophobicContact CB-CG1 3.52Å; C60-P107 VanDerWaalsContact CB-O 3.23Å; C60-P107 WeakPolarHBondContact CB-O 3.35Å; C60-P107 PolarHBondContact SG-O 2.97Å
61F97.1Very high95.8Very high0 Ų049.1 Ų49.10%027%0.268CS..G310 helixtrans-107.713.4-174.4-58.3-94.6000112.7I56 S57 Q58 D59 N63 D87 F90 M91 T94 V106 F131I56-F61 HydrophobicContact CG2-CE2 3.64Å; I56-F61 HydrophobicContact CG2-CZ 4.04Å; S57-F61 WeakPolarHBondContact O-CD2 3.3Å; S57-F61 WeakPolarHBondContact O-CE2 3.49Å; Q58-F61 WeakPolarHBondContact O-CB 3.44Å; Q58-F61 PolarHBondContact O-N 3.01Å; D59-F61 PolarHBondContact O-N 3.32Å; D59-F61 VanDerWaalsContact O-N 3.17Å; F61-N63 PolarHBondContact O-N 3.37Å; F61-D87 WeakPolarHBondContact O-CB 3.34Å; F61-D87 PolarHBondContact O-N 2.83Å; F61-F90 AromaticContact CD1-CD1 3.5Å; F61-F90 HydrophobicContact CD1-CD1 3.5Å; F61-F90 AromaticContact CD1-CE1 3.77Å; F61-F90 HydrophobicContact CD1-CE1 3.77Å; F61-F90 HydrophobicContact CD1-CG 4.37Å; F61-F90 AromaticContact CE1-CD1 3.82Å; F61-F90 HydrophobicContact CE1-CD1 3.82Å; F61-F90 AromaticContact CE1-CE1 3.7Å; F61-F90 HydrophobicContact CE1-CE1 3.7Å; F61-F90 HydrophobicContact CE1-CZ 4.42Å; F61-M91 HydrophobicContact CB-CB 4.32Å; F61-M91 HydrophobicContact CD1-CB 3.77Å; F61-M91 HydrophobicContact CD1-CG 4.43Å; F61-M91 HydrophobicContact CE1-CB 4.29Å; F61-M91 HydrophobicContact CG-CB 4.02Å; F61-M91 HydrophobicContact CG-CG 4.39Å; F61-T94 HydrophobicContact CE1-CG2 4.19Å; F61-T94 HydrophobicContact CZ-CG2 4.02Å; F61-V106 HydrophobicContact CE2-CG1 4.08Å; F61-V106 HydrophobicContact CZ-CG1 3.93Å; F61-V106 HydrophobicContact CZ-CG2 4.46Å; F61-F131 HydrophobicContact CD2-CZ 4.18Å; F61-F131 AromaticContact CE2-CE2 3.85Å; F61-F131 HydrophobicContact CE2-CE2 3.85Å; F61-F131 AromaticContact CE2-CZ 3.88Å; F61-F131 HydrophobicContact CE2-CZ 3.88Å; F61-F131 HydrophobicContact CZ-CE2 4.23Å
62Y97.4Very high95.8Very high14 Ų1450.4 Ų50.46%0.05528%0.276CS..BIsolated β-bridgetrans-55141.3169.1-84.3-61.6000111.4D59 F80 A85 F86 Y109 F111 R116D59-Y62 HydrophobicContact CB-CD2 4.3Å; D59-Y62 HydrophobicContact CB-CE2 3.93Å; D59-Y62 WeakPolarHBondContact O-CD2 3.43Å; D59-Y62 PolarHBondContact O-N 3.4Å; Y62-F80 AromaticContact CD1-CD1 3.96Å; Y62-F80 HydrophobicContact CD1-CD1 3.96Å; Y62-F80 HydrophobicContact CE1-CB 3.92Å; Y62-F80 AromaticContact CE1-CD1 3.81Å; Y62-F80 HydrophobicContact CE1-CD1 3.81Å; Y62-F80 HydrophobicContact CE1-CG 4.37Å; Y62-F80 VanDerWaalsContact CE1-O 3.29Å; Y62-F80 WeakPolarHBondContact CE1-O 3.16Å; Y62-F80 PolarHBondContact OH-O 3.3Å; Y62-A85 WeakPolarHBondContact CA-O 3.34Å; Y62-A85 HydrophobicContact CD1-CB 4.11Å; Y62-A85 WeakPolarHBondContact CD1-O 3.43Å; Y62-A85 HydrophobicContact CE1-CB 4.04Å; Y62-F86 HydrophobicContact CD1-CD1 4.13Å; Y62-F86 AromaticContact CD1-CE1 3.9Å; Y62-F86 HydrophobicContact CD1-CE1 3.9Å; Y62-F86 HydrophobicContact CD1-CZ 4.27Å; Y62-F86 HydrophobicContact CE1-CD1 4.1Å; Y62-F86 AromaticContact CE1-CE1 3.45Å; Y62-F86 HydrophobicContact CE1-CE1 3.45Å; Y62-F86 VanDerWaalsContact CE1-CE1 3.45Å; Y62-F86 HydrophobicContact CE1-CE2 4.08Å; Y62-F86 AromaticContact CE1-CZ 3.45Å; Y62-F86 HydrophobicContact CE1-CZ 3.45Å; Y62-F86 VanDerWaalsContact CE1-CZ 3.45Å; Y62-F86 HydrophobicContact CE2-CE1 4.11Å; Y62-F86 HydrophobicContact CG-CE1 4.38Å; Y62-F86 AromaticContact CZ-CE1 3.56Å; Y62-F86 AromaticContact CZ-CZ 3.59Å; Y62-F86 WeakPolarHBondContact OH-CZ 3.47Å; Y62-Y109 VanDerWaalsContact CB-CE2 3.45Å; Y62-Y109 AromaticContact CD2-CD1 3.79Å; Y62-Y109 HydrophobicContact CD2-CD1 3.79Å; Y62-Y109 HydrophobicContact CD2-CD2 4.26Å; Y62-Y109 AromaticContact CD2-CE1 3.66Å; Y62-Y109 HydrophobicContact CD2-CE1 3.66Å; Y62-Y109 HydrophobicContact CD2-CE2 4.15Å; Y62-Y109 HydrophobicContact CD2-CG 4.09Å; Y62-Y109 AromaticContact CD2-CZ 3.84Å; Y62-Y109 HydrophobicContact CE2-CE1 4.31Å; Y62-Y109 HydrophobicContact CG-CD2 4.44Å; Y62-Y109 HydrophobicContact CG-CE1 4.31Å; Y62-Y109 HydrophobicContact CG-CE2 4.09Å; Y62-F111 HydrophobicContact CE2-CE1 4.25Å; Y62-R116 PolarHBondContact O-NE 2.9Å; Y62-R116 PolarHBondContact O-NH2 3.37Å
63N96.1Very high95.7Very high49 Ų4945.9 Ų45.926%0.26226%0.256SS..PPolyproline II helixtrans-63.8151175.2-78.4-41.6000111.6F61 L65 E84 A85 F86 D87F61-N63 PolarHBondContact O-N 3.37Å; N63-L65 PolarHBondContact O-N 3.15Å; N63-E84 PolarHBondContact ND2-O 3.34Å; N63-A85 PolarHBondContact N-O 2.89Å; N63-F86 VanDerWaalsContact ND2-C 3.34Å; N63-F86 PolarHBondContact ND2-O 3.45Å; N63-D87 WeakPolarHBondContact OD1-CA 3.33Å; N63-D87 VanDerWaalsContact OD1-CB 3.28Å; N63-D87 WeakPolarHBondContact OD1-CB 3.24Å; N63-D87 PolarHBondContact OD1-N 2.6Å
64V94.9Very high95.3Very high99 Ų9950.7 Ų50.760%0.628%0.281SS*.PPolyproline II helixtrans-72.3120.6168.7-179.30000107.8R116V64-R116 HydrophobicContact CG2-CG 4.26Å
65L94.8Very high94.9Very high21 Ų2156.9 Ų56.911%0.1131%0.306CS..PPolyproline II helixtrans-74.8142.5-176.7-58.5-174.8000111.5N63 Q69 K70 A73 Y78 F80 H114N63-L65 PolarHBondContact O-N 3.15Å; L65-Q69 HydrophobicContact CB-CB 3.97Å; L65-Q69 HydrophobicContact CD2-CB 4.24Å; L65-K70 HydrophobicContact CB-CB 4.23Å; L65-A73 HydrophobicContact CD1-CB 3.83Å; L65-Y78 HydrophobicContact CD2-CD1 4.45Å; L65-Y78 HydrophobicContact CD2-CE1 3.79Å; L65-Y78 HydrophobicContact CD2-CE2 4.08Å; L65-F80 HydrophobicContact CD1-CE1 4.1Å; L65-F80 HydrophobicContact CD1-CZ 3.96Å; L65-H114 HydrophobicContact CD1-CB 4.09Å
66T95.4Very high94.4Very high68 Ų6854.1 Ų54.142%0.41729%0.293SS..PPolyproline II helixtrans-66.7161.916570.80000110.7D68 Q69 K70T66-D68 PolarHBondContact O-N 3.05Å; T66-Q69 PolarHBondContact O-N 3.26Å; T66-Q69 VanDerWaalsContact O-N 3.13Å; T66-Q69 WeakPolarHBondContact OG1-CG 3.28Å; T66-Q69 PolarHBondContact OG1-N 3.28Å; T66-Q69 PolarHBondContact OG1-OE1 3.28Å; T66-K70 WeakPolarHBondContact O-CB 3.16Å; T66-K70 PolarHBondContact O-N 3.36Å
67P94.9Very high94.2Very high110 Ų11059.2 Ų59.271%0.71432%0.317SS*.Hα-helixtrans-51.9-42.3176.7-28.936.6000113.4K70 A71P67-K70 PolarHBondContact O-N 3.48Å; P67-A71 PolarHBondContact O-N 3.05Å
68D95Very high94Very high125 Ų12559.6 Ų59.667%0.66832%0.315SS*.Hα-helixtrans-67.9-41.7178.8-66.1-18.1000112.6T66 K70 A71 K72T66-D68 PolarHBondContact O-N 3.05Å; D68-K70 VanDerWaalsContact C-N 3.34Å; D68-A71 PolarHBondContact O-N 3.43Å; D68-K72 WeakPolarHBondContact O-CG 3.29Å; D68-K72 PolarHBondContact O-N 3.16Å; D68-K72 VanDerWaalsContact O-N 3.08Å
69Q95.4Very high93.9Very high68 Ų6861.4 Ų61.432%0.31832%0.324SS..Hα-helixtrans-65.3-39.8175.7-72172.9-25.500111.2L65 T66 K72 A73 Y78L65-Q69 HydrophobicContact CB-CB 3.97Å; L65-Q69 HydrophobicContact CD2-CB 4.24Å; T66-Q69 PolarHBondContact O-N 3.26Å; T66-Q69 VanDerWaalsContact O-N 3.13Å; T66-Q69 WeakPolarHBondContact OG1-CG 3.28Å; T66-Q69 PolarHBondContact OG1-N 3.28Å; T66-Q69 PolarHBondContact OG1-OE1 3.28Å; Q69-K72 WeakPolarHBondContact O-CB 3.21Å; Q69-K72 PolarHBondContact O-N 2.93Å; Q69-A73 WeakPolarHBondContact O-CB 3.43Å; Q69-A73 PolarHBondContact O-N 3.43Å; Q69-Y78 HydrophobicContact CB-CD2 4.06Å; Q69-Y78 HydrophobicContact CB-CE2 3.94Å; Q69-Y78 HydrophobicContact CG-CD2 4.22Å; Q69-Y78 HydrophobicContact CG-CE2 3.82Å
70K94Very high94Very high75 Ų7560.2 Ų60.233%0.32632%0.318SS..Hα-helixtrans-63.6-42.1176.3-168.4169.1-175.11610111.3L65 T66 P67 D68 K72 A73 L74 T113L65-K70 HydrophobicContact CB-CB 4.23Å; T66-K70 WeakPolarHBondContact O-CB 3.16Å; T66-K70 PolarHBondContact O-N 3.36Å; P67-K70 PolarHBondContact O-N 3.48Å; D68-K70 VanDerWaalsContact C-N 3.34Å; K70-K72 VanDerWaalsContact C-N 3.32Å; K70-K72 PolarHBondContact O-N 2.84Å; K70-A73 PolarHBondContact O-N 3.29Å; K70-L74 WeakPolarHBondContact O-CG 3.46Å; K70-L74 PolarHBondContact O-N 2.94Å; K70-T113 WeakPolarHBondContact CE-O 3.31Å; K70-T113 PolarHBondContact NZ-O 2.81Å
71A93.1Very high94Very high49 Ų4959.8 Ų59.841%0.40531%0.314SS..Hα-helixtrans-60.7-39.9174.100000112.4P67 D68P67-A71 PolarHBondContact O-N 3.05Å; D68-A71 PolarHBondContact O-N 3.43Å
72K93.1Very high94.1Very high116 Ų11662.3 Ų62.350%0.50433%0.325SS..Hα-helixtrans-66.1-43.6172.5-70.6178.4-178.2-1800111.9D68 Q69 K70 L74 K75 G76 Q77D68-K72 WeakPolarHBondContact O-CG 3.29Å; D68-K72 PolarHBondContact O-N 3.16Å; D68-K72 VanDerWaalsContact O-N 3.08Å; Q69-K72 WeakPolarHBondContact O-CB 3.21Å; Q69-K72 PolarHBondContact O-N 2.93Å; K70-K72 VanDerWaalsContact C-N 3.32Å; K70-K72 PolarHBondContact O-N 2.84Å; K72-L74 PolarHBondContact O-N 2.9Å; K72-K75 CarbonylContact O-C 3.51Å; K72-K75 PolarHBondContact O-N 3.43Å; K72-K75 VanDerWaalsContact O-N 3.1Å; K72-G76 PolarHBondContact O-N 2.89Å; K72-Q77 HydrophobicContact CB-CB 4.17Å; K72-Q77 WeakPolarHBondContact O-CA 3.33Å; K72-Q77 WeakPolarHBondContact O-CB 3.21Å; K72-Q77 PolarHBondContact O-N 2.94Å
73A91.6Very high94.1Very high0 Ų062.1 Ų62.10%033%0.326CS..Hα-helixtrans-60.3-43.1-179.500000112.9L65 Q69 K70 K75 G76 Y78 F80 H114L65-A73 HydrophobicContact CD1-CB 3.83Å; Q69-A73 WeakPolarHBondContact O-CB 3.43Å; Q69-A73 PolarHBondContact O-N 3.43Å; K70-A73 PolarHBondContact O-N 3.29Å; A73-K75 PolarHBondContact O-N 3.18Å; A73-G76 WeakPolarHBondContact O-CA 3.48Å; A73-G76 PolarHBondContact O-N 3.03Å; A73-Y78 HydrophobicContact CB-CG 4.46Å; A73-F80 HydrophobicContact CB-CE2 3.78Å; A73-F80 HydrophobicContact CB-CZ 3.6Å; A73-H114 HydrophobicContact CB-CB 4.37Å
74L88.1Confident94.1Very high101 Ų10166.8 Ų66.853%0.52935%0.346SS..Hα-helixtrans-60.4-30.4176.1-70170.4000112.4K70 K72 G76 Q176K70-L74 WeakPolarHBondContact O-CG 3.46Å; K70-L74 PolarHBondContact O-N 2.94Å; K72-L74 PolarHBondContact O-N 2.9Å; L74-G76 VanDerWaalsContact C-N 3.33Å; L74-Q176 PolarHBondContact O-NE2 2.86Å
75K88.4Confident94.2Very high144 Ų14462.2 Ų62.263%0.62632%0.318SS*.THydrogen-bonded Turntrans-87.12.8174.3-63177.9-177.7179.80113.6K72 A73 Q77 Q176K72-K75 CarbonylContact O-C 3.51Å; K72-K75 PolarHBondContact O-N 3.43Å; K72-K75 VanDerWaalsContact O-N 3.1Å; A73-K75 PolarHBondContact O-N 3.18Å; K75-Q77 HydrophobicContact CB-CG 4.04Å; K75-Q77 PolarHBondContact O-N 3.44Å; K75-Q176 VanDerWaalsContact C-NE2 3.29Å
76G87.3Confident94.4Very high6 Ų661.4 Ų61.46%0.06231%0.314CS..THydrogen-bonded Turntrans7215.9-175.200000114.3K72 A73 L74 Q176 F184K72-G76 PolarHBondContact O-N 2.89Å; A73-G76 WeakPolarHBondContact O-CA 3.48Å; A73-G76 PolarHBondContact O-N 3.03Å; L74-G76 VanDerWaalsContact C-N 3.33Å; G76-Q176 VanDerWaalsContact N-NE2 3.17Å; G76-F184 WeakPolarHBondContact O-CE2 3.26Å
77Q91.9Very high94.5Very high113 Ų11360.1 Ų60.153%0.52831%0.305SS..  trans-102.117-172.9-64.6174.3-14.500113.4K72 K75K72-Q77 HydrophobicContact CB-CB 4.17Å; K72-Q77 WeakPolarHBondContact O-CA 3.33Å; K72-Q77 WeakPolarHBondContact O-CB 3.21Å; K72-Q77 PolarHBondContact O-N 2.94Å; K75-Q77 HydrophobicContact CB-CG 4.04Å; K75-Q77 PolarHBondContact O-N 3.44Å
78Y94.7Very high94.5Very high32 Ų3257 Ų5713%0.12528%0.282CS..SBendtrans-115.9134.3175.6-175.5-92.1000109.8L65 Q69 A73 F80 A85L65-Y78 HydrophobicContact CD2-CD1 4.45Å; L65-Y78 HydrophobicContact CD2-CE1 3.79Å; L65-Y78 HydrophobicContact CD2-CE2 4.08Å; Q69-Y78 HydrophobicContact CB-CD2 4.06Å; Q69-Y78 HydrophobicContact CB-CE2 3.94Å; Q69-Y78 HydrophobicContact CG-CD2 4.22Å; Q69-Y78 HydrophobicContact CG-CE2 3.82Å; A73-Y78 HydrophobicContact CB-CG 4.46Å; Y78-F80 AromaticContact CD1-CD1 3.76Å; Y78-F80 HydrophobicContact CD1-CD1 3.76Å; Y78-F80 AromaticContact CD1-CD2 3.81Å; Y78-F80 HydrophobicContact CD1-CD2 3.81Å; Y78-F80 AromaticContact CD1-CE1 3.67Å; Y78-F80 HydrophobicContact CD1-CE1 3.67Å; Y78-F80 AromaticContact CD1-CE2 3.73Å; Y78-F80 HydrophobicContact CD1-CE2 3.73Å; Y78-F80 AromaticContact CD1-CG 3.84Å; Y78-F80 HydrophobicContact CD1-CG 3.84Å; Y78-F80 AromaticContact CD1-CZ 3.66Å; Y78-F80 HydrophobicContact CD1-CZ 3.66Å; Y78-F80 AromaticContact CE1-CD1 3.81Å; Y78-F80 HydrophobicContact CE1-CD1 3.81Å; Y78-F80 AromaticContact CE1-CE1 3.84Å; Y78-F80 HydrophobicContact CE1-CE1 3.84Å; Y78-F80 HydrophobicContact CE1-CG 4.22Å; Y78-F80 HydrophobicContact CE1-CZ 4.29Å; Y78-F80 HydrophobicContact CG-CE2 4.43Å; Y78-F80 HydrophobicContact CG-CZ 4.47Å; Y78-F80 PolarHBondContact O-N 3.14Å; Y78-A85 HydrophobicContact CE1-CB 4.3Å
79N96.6Very high94.6Very high38 Ų3857.1 Ų57.120%0.20328%0.278CS..  trans-86.891.7-178.7-168.1-5.6000110.9D81 H82 F184N79-D81 PolarHBondContact O-N 2.96Å; N79-D81 PolarHBondContact OD1-N 2.84Å; N79-H82 HydrophobicContact CB-CB 4.28Å; N79-H82 PolarHBondContact OD1-N 2.86Å; N79-F184 HydrophobicContact CB-CB 4.27Å; N79-F184 HydrophobicContact CB-CD1 3.58Å; N79-F184 HydrophobicContact CB-CE1 4.14Å; N79-F184 HydrophobicContact CB-CG 4.04Å
80F96.9Very high94.6Very high15 Ų1556.1 Ų56.17%0.06627%0.273CS..THydrogen-bonded Turntrans-73.1-16173.5-70.5-77.2000113.1Y62 L65 A73 Y78 H82 Y109 H114Y62-F80 AromaticContact CD1-CD1 3.96Å; Y62-F80 HydrophobicContact CD1-CD1 3.96Å; Y62-F80 HydrophobicContact CE1-CB 3.92Å; Y62-F80 AromaticContact CE1-CD1 3.81Å; Y62-F80 HydrophobicContact CE1-CD1 3.81Å; Y62-F80 HydrophobicContact CE1-CG 4.37Å; Y62-F80 VanDerWaalsContact CE1-O 3.29Å; Y62-F80 WeakPolarHBondContact CE1-O 3.16Å; Y62-F80 PolarHBondContact OH-O 3.3Å; L65-F80 HydrophobicContact CD1-CE1 4.1Å; L65-F80 HydrophobicContact CD1-CZ 3.96Å; A73-F80 HydrophobicContact CB-CE2 3.78Å; A73-F80 HydrophobicContact CB-CZ 3.6Å; Y78-F80 AromaticContact CD1-CD1 3.76Å; Y78-F80 HydrophobicContact CD1-CD1 3.76Å; Y78-F80 AromaticContact CD1-CD2 3.81Å; Y78-F80 HydrophobicContact CD1-CD2 3.81Å; Y78-F80 AromaticContact CD1-CE1 3.67Å; Y78-F80 HydrophobicContact CD1-CE1 3.67Å; Y78-F80 AromaticContact CD1-CE2 3.73Å; Y78-F80 HydrophobicContact CD1-CE2 3.73Å; Y78-F80 AromaticContact CD1-CG 3.84Å; Y78-F80 HydrophobicContact CD1-CG 3.84Å; Y78-F80 AromaticContact CD1-CZ 3.66Å; Y78-F80 HydrophobicContact CD1-CZ 3.66Å; Y78-F80 AromaticContact CE1-CD1 3.81Å; Y78-F80 HydrophobicContact CE1-CD1 3.81Å; Y78-F80 AromaticContact CE1-CE1 3.84Å; Y78-F80 HydrophobicContact CE1-CE1 3.84Å; Y78-F80 HydrophobicContact CE1-CG 4.22Å; Y78-F80 HydrophobicContact CE1-CZ 4.29Å; Y78-F80 HydrophobicContact CG-CE2 4.43Å; Y78-F80 HydrophobicContact CG-CZ 4.47Å; Y78-F80 PolarHBondContact O-N 3.14Å; F80-H82 VanDerWaalsContact C-N 3.33Å; F80-Y109 WeakPolarHBondContact CE1-OH 3.31Å; F80-H114 AromaticContact CE2-CE1 3.98Å; F80-H114 AromaticContact CE2-ND1 3.82Å; F80-H114 HydrophobicContact CZ-CB 4.21Å; F80-H114 AromaticContact CZ-CG 3.87Å; F80-H114 AromaticContact CZ-ND1 3.42Å; F80-H114 WeakPolarHBondContact CZ-ND1 3.39Å
81D97.9Very high94.8Very high13 Ų1352.5 Ų52.57%0.0726%0.258CS..THydrogen-bonded Turntrans-91.30.4-178.1-63-103.5000112N79 I134 V185 A188N79-D81 PolarHBondContact O-N 2.96Å; N79-D81 PolarHBondContact OD1-N 2.84Å; D81-I134 HydrophobicContact CB-CD1 4.14Å; D81-I134 WeakPolarHBondContact OD1-CD1 3.38Å; D81-V185 WeakPolarHBondContact OD2-CG2 3.33Å; D81-A188 HydrophobicContact CB-CB 3.55Å
82H98.3Very high95Very high53 Ų5353.8 Ų53.825%0.24525%0.252CS..SBendtrans-79.6142.8174.3-165.8-99.8000111.5N79 F80 E84 A85 F192N79-H82 HydrophobicContact CB-CB 4.28Å; N79-H82 PolarHBondContact OD1-N 2.86Å; F80-H82 VanDerWaalsContact C-N 3.33Å; H82-E84 IonicContact CE1-OE2 2.6Å; H82-E84 WeakPolarHBondContact ND1-CB 3.33Å; H82-E84 PolarHBondContact ND1-N 3.19Å; H82-E84 IonicContact ND1-OE2 2.87Å; H82-E84 PolarHBondContact O-N 3.05Å; H82-E84 VanDerWaalsContact O-N 3.1Å; H82-A85 VanDerWaalsContact O-CB 3.23Å; H82-A85 WeakPolarHBondContact O-CB 3.29Å; H82-A85 PolarHBondContact O-N 3.17Å; H82-F192 AromaticContact CD2-CE2 3.44Å; H82-F192 VanDerWaalsContact CD2-CE2 3.44Å; H82-F192 WeakPolarHBondContact CD2-CE2 3.48Å; H82-F192 AromaticContact CD2-CZ 3.49Å; H82-F192 VanDerWaalsContact CD2-CZ 3.49Å; H82-F192 WeakPolarHBondContact CD2-CZ 3.49Å; H82-F192 AromaticContact NE2-CZ 3.61Å
83P97.7Very high95.2Very high10 Ų1054.1 Ų54.17%0.06525%0.254CS..G310 helixtrans-54.2-32178.3-27.333000115.2A85 F86 N88 L135 Y138 F192P83-A85 VanDerWaalsContact C-N 3.26Å; P83-A85 PolarHBondContact O-N 3.43Å; P83-F86 PolarHBondContact O-N 3.33Å; P83-N88 PolarHBondContact O-ND2 3.28Å; P83-L135 HydrophobicContact CB-CD1 4.29Å; P83-L135 HydrophobicContact CG-CD1 3.97Å; P83-Y138 HydrophobicContact CB-CD1 3.76Å; P83-Y138 HydrophobicContact CB-CE1 3.45Å; P83-Y138 VanDerWaalsContact CB-CE1 3.45Å; P83-Y138 HydrophobicContact CG-CD1 3.77Å; P83-Y138 HydrophobicContact CG-CD2 4.41Å; P83-Y138 HydrophobicContact CG-CE1 3.35Å; P83-Y138 HydrophobicContact CG-CE2 4.06Å; P83-Y138 HydrophobicContact CG-CG 4.28Å; P83-F192 HydrophobicContact CG-CB 4.17Å; P83-F192 HydrophobicContact CG-CD1 3.79Å; P83-F192 HydrophobicContact CG-CD2 4.31Å; P83-F192 HydrophobicContact CG-CE1 4.26Å; P83-F192 HydrophobicContact CG-CG 3.82Å
84E96.7Very high95.5Very high147 Ų14754.3 Ų54.369%0.68726%0.255SS*.G310 helixtrans-74.9-10.7178.1-62.3179.316800114N63 H82 F86N63-E84 PolarHBondContact ND2-O 3.34Å; H82-E84 IonicContact CE1-OE2 2.6Å; H82-E84 WeakPolarHBondContact ND1-CB 3.33Å; H82-E84 PolarHBondContact ND1-N 3.19Å; H82-E84 IonicContact ND1-OE2 2.87Å; H82-E84 PolarHBondContact O-N 3.05Å; H82-E84 VanDerWaalsContact O-N 3.1Å; E84-F86 PolarHBondContact O-N 3.03Å
85A97.3Very high96Very high2 Ų249.5 Ų49.52%0.01723%0.23CC..G310 helixtrans-68.9-17.3171.400000111.7Y62 N63 Y78 H82 P83Y62-A85 WeakPolarHBondContact CA-O 3.34Å; Y62-A85 HydrophobicContact CD1-CB 4.11Å; Y62-A85 WeakPolarHBondContact CD1-O 3.43Å; Y62-A85 HydrophobicContact CE1-CB 4.04Å; N63-A85 PolarHBondContact N-O 2.89Å; Y78-A85 HydrophobicContact CE1-CB 4.3Å; H82-A85 VanDerWaalsContact O-CB 3.23Å; H82-A85 WeakPolarHBondContact O-CB 3.29Å; H82-A85 PolarHBondContact O-N 3.17Å; P83-A85 VanDerWaalsContact C-N 3.26Å; P83-A85 PolarHBondContact O-N 3.43Å
86F98.1Very high96.4Very high4 Ų447.4 Ų47.42%0.01822%0.221CC..BIsolated β-bridgetrans-103.7144.7-177-58.2-85.6000112.5Q58 Y62 N63 P83 E84 N88 I134 L135Q58-F86 HydrophobicContact CG-CD1 3.73Å; Q58-F86 HydrophobicContact CG-CE1 3.76Å; Q58-F86 HydrophobicContact CG-CG 4.49Å; Y62-F86 HydrophobicContact CD1-CD1 4.13Å; Y62-F86 AromaticContact CD1-CE1 3.9Å; Y62-F86 HydrophobicContact CD1-CE1 3.9Å; Y62-F86 HydrophobicContact CD1-CZ 4.27Å; Y62-F86 HydrophobicContact CE1-CD1 4.1Å; Y62-F86 AromaticContact CE1-CE1 3.45Å; Y62-F86 HydrophobicContact CE1-CE1 3.45Å; Y62-F86 VanDerWaalsContact CE1-CE1 3.45Å; Y62-F86 HydrophobicContact CE1-CE2 4.08Å; Y62-F86 AromaticContact CE1-CZ 3.45Å; Y62-F86 HydrophobicContact CE1-CZ 3.45Å; Y62-F86 VanDerWaalsContact CE1-CZ 3.45Å; Y62-F86 HydrophobicContact CE2-CE1 4.11Å; Y62-F86 HydrophobicContact CG-CE1 4.38Å; Y62-F86 AromaticContact CZ-CE1 3.56Å; Y62-F86 AromaticContact CZ-CZ 3.59Å; Y62-F86 WeakPolarHBondContact OH-CZ 3.47Å; N63-F86 VanDerWaalsContact ND2-C 3.34Å; N63-F86 PolarHBondContact ND2-O 3.45Å; P83-F86 PolarHBondContact O-N 3.33Å; E84-F86 PolarHBondContact O-N 3.03Å; F86-N88 VanDerWaalsContact C-N 3.28Å; F86-N88 PolarHBondContact O-N 3.33Å; F86-N88 PolarHBondContact O-ND2 2.97Å; F86-I134 HydrophobicContact CE2-CD1 4.34Å; F86-I134 HydrophobicContact CZ-CD1 4.03Å; F86-I134 HydrophobicContact CZ-CG1 4.08Å; F86-L135 HydrophobicContact CD2-CD1 4.17Å; F86-L135 HydrophobicContact CE2-CD1 3.83Å
87D97.1Very high96.8Very high41 Ų4148.4 Ų48.422%0.21923%0.225CC..  trans-80.975.3171.3-166.8-19.1000109.5F61 N63 E89 F90 M91 R116F61-D87 WeakPolarHBondContact O-CB 3.34Å; F61-D87 PolarHBondContact O-N 2.83Å; N63-D87 WeakPolarHBondContact OD1-CA 3.33Å; N63-D87 VanDerWaalsContact OD1-CB 3.28Å; N63-D87 WeakPolarHBondContact OD1-CB 3.24Å; N63-D87 PolarHBondContact OD1-N 2.6Å; D87-E89 VanDerWaalsContact C-N 3.27Å; D87-E89 PolarHBondContact O-N 2.87Å; D87-F90 HydrophobicContact CB-CB 4.12Å; D87-F90 PolarHBondContact O-N 3.23Å; D87-F90 WeakPolarHBondContact OD1-CB 3.41Å; D87-F90 PolarHBondContact OD1-N 3.48Å; D87-F90 VanDerWaalsContact OD1-N 3.13Å; D87-F90 WeakPolarHBondContact OD2-CB 3.25Å; D87-M91 WeakPolarHBondContact O-CB 3.37Å; D87-M91 PolarHBondContact O-N 2.84Å; D87-R116 IonicContact OD2-CZ 3.65Å; D87-R116 IonicContact OD2-NH1 3.48Å; D87-R116 PolarHBondContact OD2-NH1 3.09Å; D87-R116 IonicContact OD2-NH2 3.69Å; D87-R116 PolarHBondContact OD2-NH2 3.15Å
88N95.6Very high97Very high44 Ų4443.6 Ų43.624%0.23520%0.203CC..Hα-helixtrans-64.4-31.2-172.5-68.3-68.3000113P83 F86 M91 Y92P83-N88 PolarHBondContact O-ND2 3.28Å; F86-N88 VanDerWaalsContact C-N 3.28Å; F86-N88 PolarHBondContact O-N 3.33Å; F86-N88 PolarHBondContact O-ND2 2.97Å; N88-M91 WeakPolarHBondContact OD1-CE 3.45Å; N88-Y92 WeakPolarHBondContact O-CB 3.34Å; N88-Y92 PolarHBondContact O-N 2.82Å
89E96.3Very high97Very high128 Ų12843.7 Ų43.760%0.59821%0.21SC*.Hα-helixtrans-70.5-44.9176.6-72.1-61.3140.800111D87 Y92 K93D87-E89 VanDerWaalsContact C-N 3.27Å; D87-E89 PolarHBondContact O-N 2.87Å; E89-Y92 PolarHBondContact O-N 2.94Å; E89-K93 WeakPolarHBondContact O-CB 3.41Å; E89-K93 PolarHBondContact O-N 3.44Å
90F96.4Very high96.9Very high47 Ų4746 Ų4621%0.20622%0.219CC..Hα-helixtrans-63.9-43.6174.5-180-125.9000111.6F61 D87 Y92 K93 T94 P107F61-F90 AromaticContact CD1-CD1 3.5Å; F61-F90 HydrophobicContact CD1-CD1 3.5Å; F61-F90 AromaticContact CD1-CE1 3.77Å; F61-F90 HydrophobicContact CD1-CE1 3.77Å; F61-F90 HydrophobicContact CD1-CG 4.37Å; F61-F90 AromaticContact CE1-CD1 3.82Å; F61-F90 HydrophobicContact CE1-CD1 3.82Å; F61-F90 AromaticContact CE1-CE1 3.7Å; F61-F90 HydrophobicContact CE1-CE1 3.7Å; F61-F90 HydrophobicContact CE1-CZ 4.42Å; D87-F90 HydrophobicContact CB-CB 4.12Å; D87-F90 PolarHBondContact O-N 3.23Å; D87-F90 WeakPolarHBondContact OD1-CB 3.41Å; D87-F90 PolarHBondContact OD1-N 3.48Å; D87-F90 VanDerWaalsContact OD1-N 3.13Å; D87-F90 WeakPolarHBondContact OD2-CB 3.25Å; F90-Y92 PolarHBondContact O-N 2.83Å; F90-K93 PolarHBondContact O-N 3.14Å; F90-T94 WeakPolarHBondContact O-CB 3.38Å; F90-T94 PolarHBondContact O-N 3.43Å; F90-T94 PolarHBondContact O-OG1 3.39Å; F90-T94 VanDerWaalsContact O-OG1 3.07Å; F90-P107 HydrophobicContact CE1-CG 3.63Å; F90-P107 HydrophobicContact CZ-CG 4.27Å
91M97.5Very high96.6Very high0 Ų046.5 Ų46.50%023%0.229CC..Hα-helixtrans-56.3-47.8174.8178171.471.700112.4Q58 F61 D87 N88 T94 L95 F131 P139 V142Q58-M91 HydrophobicContact CG-SD 3.9Å; F61-M91 HydrophobicContact CB-CB 4.32Å; F61-M91 HydrophobicContact CD1-CB 3.77Å; F61-M91 HydrophobicContact CD1-CG 4.43Å; F61-M91 HydrophobicContact CE1-CB 4.29Å; F61-M91 HydrophobicContact CG-CB 4.02Å; F61-M91 HydrophobicContact CG-CG 4.39Å; D87-M91 WeakPolarHBondContact O-CB 3.37Å; D87-M91 PolarHBondContact O-N 2.84Å; N88-M91 WeakPolarHBondContact OD1-CE 3.45Å; M91-T94 PolarHBondContact O-N 3.36Å; M91-L95 HydrophobicContact CG-CD1 4.5Å; M91-L95 PolarHBondContact O-N 3.37Å; M91-F131 HydrophobicContact CG-CE1 4.14Å; M91-F131 HydrophobicContact CG-CE2 4.44Å; M91-F131 HydrophobicContact CG-CZ 3.6Å; M91-F131 HydrophobicContact SD-CE1 3.69Å; M91-F131 HydrophobicContact SD-CZ 3.63Å; M91-P139 HydrophobicContact CE-CG 4.05Å; M91-V142 HydrophobicContact CE-CG1 4.37Å; M91-V142 HydrophobicContact CE-CG2 3.95Å
92Y97.9Very high96.4Very high75 Ų7551.1 Ų51.129%0.29425%0.245SC..Hα-helixtrans-63.3-44.2177.5176.4-111.4000112N88 E89 F90 T94 L95 K96 K141 V142 M145N88-Y92 WeakPolarHBondContact O-CB 3.34Å; N88-Y92 PolarHBondContact O-N 2.82Å; E89-Y92 PolarHBondContact O-N 2.94Å; F90-Y92 PolarHBondContact O-N 2.83Å; Y92-T94 PolarHBondContact O-N 2.81Å; Y92-L95 PolarHBondContact O-N 2.75Å; Y92-K96 WeakPolarHBondContact O-CB 3.4Å; Y92-K96 PolarHBondContact O-N 3.4Å; Y92-K141 HydrophobicContact CD2-CB 3.93Å; Y92-K141 HydrophobicContact CE2-CB 3.8Å; Y92-V142 HydrophobicContact CD2-CG2 4.14Å; Y92-M145 HydrophobicContact CD2-SD 3.61Å; Y92-M145 HydrophobicContact CE2-CG 4.36Å; Y92-M145 HydrophobicContact CE2-SD 3.56Å; Y92-M145 VanDerWaalsContact CE2-SD 3.56Å
93K98Very high96.2Very high124 Ų12452.6 Ų52.654%0.53926%0.259SS..Hα-helixtrans-59.6-46.6176.1-176.6-177.5176.3-175.60111.6E89 F90 L95 K96 D97E89-K93 WeakPolarHBondContact O-CB 3.41Å; E89-K93 PolarHBondContact O-N 3.44Å; F90-K93 PolarHBondContact O-N 3.14Å; K93-L95 PolarHBondContact O-N 3.44Å; K93-K96 WeakPolarHBondContact O-CB 3.48Å; K93-K96 PolarHBondContact O-N 3.26Å; K93-K96 VanDerWaalsContact O-N 3.14Å; K93-D97 VanDerWaalsContact O-CG 3.32Å; K93-D97 PolarHBondContact O-N 3.15Å
94T97.7Very high96.2Very high4 Ų452.4 Ų52.43%0.02526%0.258CS..Hα-helixtrans-59.6-45.9177.8-63.20000111.6F61 F90 M91 Y92 K96 D97 I98 V104 V106F61-T94 HydrophobicContact CE1-CG2 4.19Å; F61-T94 HydrophobicContact CZ-CG2 4.02Å; F90-T94 WeakPolarHBondContact O-CB 3.38Å; F90-T94 PolarHBondContact O-N 3.43Å; F90-T94 PolarHBondContact O-OG1 3.39Å; F90-T94 VanDerWaalsContact O-OG1 3.07Å; M91-T94 PolarHBondContact O-N 3.36Å; Y92-T94 PolarHBondContact O-N 2.81Å; T94-K96 VanDerWaalsContact C-N 3.28Å; T94-K96 PolarHBondContact O-N 3.43Å; T94-D97 PolarHBondContact O-N 3.46Å; T94-I98 HydrophobicContact CG2-CD1 3.95Å; T94-I98 WeakPolarHBondContact O-CD1 3.45Å; T94-I98 VanDerWaalsContact O-CG1 3.25Å; T94-I98 WeakPolarHBondContact O-CG1 3.32Å; T94-I98 PolarHBondContact O-N 3.49Å; T94-V104 HydrophobicContact CG2-CB 4.11Å; T94-V104 HydrophobicContact CG2-CG1 4.36Å; T94-V104 HydrophobicContact CG2-CG2 3.85Å; T94-V106 HydrophobicContact CG2-CG2 4.26Å
95L97.2Very high96.1Very high0 Ų049.1 Ų49.10%024%0.242CC..Hα-helixtrans-62.3-35.5175.9-78.8170000112.7L19 M91 Y92 K93 A99 F131 V142 M145 F146L19-L95 HydrophobicContact CD1-CD2 4.49Å; M91-L95 HydrophobicContact CG-CD1 4.5Å; M91-L95 PolarHBondContact O-N 3.37Å; Y92-L95 PolarHBondContact O-N 2.75Å; K93-L95 PolarHBondContact O-N 3.44Å; L95-A99 WeakPolarHBondContact O-CB 3.37Å; L95-A99 PolarHBondContact O-N 3.26Å; L95-F131 HydrophobicContact CD1-CD2 4.44Å; L95-F131 HydrophobicContact CD1-CE2 4.41Å; L95-F131 HydrophobicContact CD2-CB 4.44Å; L95-F131 HydrophobicContact CD2-CD2 3.67Å; L95-F131 HydrophobicContact CD2-CE2 4.17Å; L95-F131 HydrophobicContact CD2-CG 4.11Å; L95-F131 HydrophobicContact CG-CD2 4.21Å; L95-F131 HydrophobicContact CG-CE2 4.22Å; L95-V142 HydrophobicContact CD1-CB 4.49Å; L95-V142 HydrophobicContact CD1-CG1 3.58Å; L95-V142 HydrophobicContact CD1-CG2 4.43Å; L95-M145 VanDerWaalsContact C-CE 3.46Å; L95-M145 HydrophobicContact CB-CE 3.74Å; L95-M145 HydrophobicContact CB-SD 3.67Å; L95-M145 HydrophobicContact CD1-SD 4.35Å; L95-F146 HydrophobicContact CD1-CE1 4.44Å; L95-F146 HydrophobicContact CD1-CZ 4.22Å; L95-F146 HydrophobicContact CD2-CE1 4.35Å
96K97Very high96Very high99 Ų9949.2 Ų49.243%0.4324%0.243SC..Hα-helixtrans-67-46176.5-172.1-175.4176.4-171.70111.5Y92 K93 T94 I98 A99 E100 M145Y92-K96 WeakPolarHBondContact O-CB 3.4Å; Y92-K96 PolarHBondContact O-N 3.4Å; K93-K96 WeakPolarHBondContact O-CB 3.48Å; K93-K96 PolarHBondContact O-N 3.26Å; K93-K96 VanDerWaalsContact O-N 3.14Å; T94-K96 VanDerWaalsContact C-N 3.28Å; T94-K96 PolarHBondContact O-N 3.43Å; K96-I98 VanDerWaalsContact C-N 3.3Å; K96-I98 PolarHBondContact O-N 3.42Å; K96-A99 PolarHBondContact O-N 3.36Å; K96-E100 VanDerWaalsContact CE-OE1 3.22Å; K96-E100 WeakPolarHBondContact CE-OE1 3.47Å; K96-E100 WeakPolarHBondContact O-CG 3.49Å; K96-E100 PolarHBondContact O-N 2.87Å; K96-E100 VanDerWaalsContact O-N 3.08Å; K96-M145 HydrophobicContact CB-CE 4.21Å
97D96.6Very high95.8Very high27 Ų2749.1 Ų49.114%0.14424%0.243CC..Hα-helixtrans-61.2-41.1177.4-67-9.8000110.7K93 T94 E100 G101 R102 V104K93-D97 VanDerWaalsContact O-CG 3.32Å; K93-D97 PolarHBondContact O-N 3.15Å; T94-D97 PolarHBondContact O-N 3.46Å; D97-E100 PolarHBondContact O-N 2.81Å; D97-G101 PolarHBondContact O-N 2.84Å; D97-R102 HydrophobicContact CB-CB 4.41Å; D97-R102 WeakPolarHBondContact O-CB 3.5Å; D97-R102 PolarHBondContact O-N 2.79Å; D97-R102 IonicContact OD1-CZ 3.94Å; D97-R102 IonicContact OD1-NE 3.75Å; D97-R102 IonicContact OD1-NH1 3.82Å; D97-R102 PolarHBondContact OD1-NH1 2.99Å; D97-R102 IonicContact OD1-NH2 3.69Å; D97-R102 PolarHBondContact OD1-NH2 2.91Å; D97-R102 IonicContact OD2-NH1 3.02Å; D97-V104 HydrophobicContact CB-CG1 3.47Å; D97-V104 VanDerWaalsContact CB-CG1 3.47Å
98I95.6Very high95.6Very high13 Ų1349 Ų497%0.06724%0.244CC..Hα-helixtrans-60.4-48.7172.6-70.3164.1000111.3P17 L19 I56 T94 K96 E100 G101 V104 V129P17-I98 HydrophobicContact CG-CG2 3.96Å; P17-I98 VanDerWaalsContact CG-O 3.31Å; P17-I98 WeakPolarHBondContact CG-O 3.35Å; L19-I98 HydrophobicContact CD2-CG2 3.87Å; I56-I98 HydrophobicContact CD1-CD1 3.24Å; T94-I98 HydrophobicContact CG2-CD1 3.95Å; T94-I98 WeakPolarHBondContact O-CD1 3.45Å; T94-I98 VanDerWaalsContact O-CG1 3.25Å; T94-I98 WeakPolarHBondContact O-CG1 3.32Å; T94-I98 PolarHBondContact O-N 3.49Å; K96-I98 VanDerWaalsContact C-N 3.3Å; K96-I98 PolarHBondContact O-N 3.42Å; I98-E100 PolarHBondContact O-N 2.91Å; I98-G101 WeakPolarHBondContact O-CA 3.28Å; I98-G101 PolarHBondContact O-N 2.84Å; I98-V104 HydrophobicContact CD1-CG2 3.9Å; I98-V104 HydrophobicContact CG1-CB 4.5Å; I98-V104 HydrophobicContact CG1-CG1 3.99Å; I98-V104 HydrophobicContact CG1-CG2 3.65Å; I98-V129 HydrophobicContact CG2-CG2 3.79Å
99A94Very high95.4Very high33 Ų3347.8 Ų47.827%0.27324%0.236SC..Hα-helixtrans-60.8-25.9-179.500000113L19 L95 K96 G101 M145L19-A99 HydrophobicContact CD1-CB 4.36Å; L95-A99 WeakPolarHBondContact O-CB 3.37Å; L95-A99 PolarHBondContact O-N 3.26Å; K96-A99 PolarHBondContact O-N 3.36Å; A99-G101 VanDerWaalsContact C-N 3.31Å; A99-M145 HydrophobicContact CB-CE 4.39Å
100E94.3Very high95.2Very high88 Ų8843.5 Ų43.541%0.41122%0.217SC..THydrogen-bonded Turntrans-86.91.6174.8-68.1174.2-170.400113.5K96 D97 I98 R102K96-E100 VanDerWaalsContact CE-OE1 3.22Å; K96-E100 WeakPolarHBondContact CE-OE1 3.47Å; K96-E100 WeakPolarHBondContact O-CG 3.49Å; K96-E100 PolarHBondContact O-N 2.87Å; K96-E100 VanDerWaalsContact O-N 3.08Å; D97-E100 PolarHBondContact O-N 2.81Å; I98-E100 PolarHBondContact O-N 2.91Å; E100-R102 VanDerWaalsContact C-N 3.35Å; E100-R102 HydrophobicContact CB-CG 4.39Å; E100-R102 IonicContact OE2-CZ 2.63Å; E100-R102 IonicContact OE2-NE 3.99Å; E100-R102 PolarHBondContact OE2-NE 2.83Å; E100-R102 IonicContact OE2-NH2 3.24Å; E100-R102 PolarHBondContact OE2-NH2 3.05Å
101G91.8Very high94.9Very high25 Ų2544 Ų4426%0.25822%0.219SC..THydrogen-bonded Turntrans7522.5179.300000113.6D97 I98 A99 P125D97-G101 PolarHBondContact O-N 2.84Å; I98-G101 WeakPolarHBondContact O-CA 3.28Å; I98-G101 PolarHBondContact O-N 2.84Å; A99-G101 VanDerWaalsContact C-N 3.31Å; G101-P125 WeakPolarHBondContact O-CG 3.41Å
102R93.7Very high94.4Very high110 Ų11049.4 Ų49.442%0.41525%0.247SC..  trans-90139.2177.1-61-168.9-89.9140.8-4110.2D97 E100D97-R102 HydrophobicContact CB-CB 4.41Å; D97-R102 WeakPolarHBondContact O-CB 3.5Å; D97-R102 PolarHBondContact O-N 2.79Å; D97-R102 IonicContact OD1-CZ 3.94Å; D97-R102 IonicContact OD1-NE 3.75Å; D97-R102 IonicContact OD1-NH1 3.82Å; D97-R102 PolarHBondContact OD1-NH1 2.99Å; D97-R102 IonicContact OD1-NH2 3.69Å; D97-R102 PolarHBondContact OD1-NH2 2.91Å; D97-R102 IonicContact OD2-NH1 3.02Å; E100-R102 VanDerWaalsContact C-N 3.35Å; E100-R102 HydrophobicContact CB-CG 4.39Å; E100-R102 IonicContact OE2-CZ 2.63Å; E100-R102 IonicContact OE2-NE 3.99Å; E100-R102 PolarHBondContact OE2-NE 2.83Å; E100-R102 IonicContact OE2-NH2 3.24Å; E100-R102 PolarHBondContact OE2-NH2 3.05Å
103P94.5Very high93.9Very high83 Ų8348.5 Ų48.554%0.53925%0.249SC..  trans-63.4142.8169.327.8-33.1000109.7V123P103-V123 WeakPolarHBondContact CA-O 3.33Å
104V96.2Very high93.5Very high7 Ų743.2 Ų43.24%0.04223%0.226CC..EExtended strand (participates in β ladder)trans-129.3146.8-178.5-62.20000111.6T94 D97 I98 V106 T122 V123T94-V104 HydrophobicContact CG2-CB 4.11Å; T94-V104 HydrophobicContact CG2-CG1 4.36Å; T94-V104 HydrophobicContact CG2-CG2 3.85Å; D97-V104 HydrophobicContact CB-CG1 3.47Å; D97-V104 VanDerWaalsContact CB-CG1 3.47Å; I98-V104 HydrophobicContact CD1-CG2 3.9Å; I98-V104 HydrophobicContact CG1-CB 4.5Å; I98-V104 HydrophobicContact CG1-CG1 3.99Å; I98-V104 HydrophobicContact CG1-CG2 3.65Å; V104-V106 HydrophobicContact CG2-CG2 4.21Å; V104-T122 WeakPolarHBondContact O-CA 3.35Å; V104-V123 HydrophobicContact CG2-CB 3.8Å; V104-V123 HydrophobicContact CG2-CG2 4.46Å; V104-V123 PolarHBondContact N-O 2.98Å; V104-V123 PolarHBondContact O-N 3.34Å
105E96.3Very high93.2Very high77 Ų7744.4 Ų44.436%0.3624%0.235SC..EExtended strand (participates in β ladder)trans-99.2116.8174.2-70-61.4146.800109.8R120 T122E105-R120 HydrophobicContact CB-CB 4.45Å; E105-R120 WeakPolarHBondContact OE2-CB 3.31Å; E105-T122 VanDerWaalsContact OE1-CB 3.27Å; E105-T122 WeakPolarHBondContact OE1-CB 3.36Å; E105-T122 VanDerWaalsContact OE1-CG2 3.28Å; E105-T122 WeakPolarHBondContact OE1-CG2 3.37Å; E105-T122 PolarHBondContact OE1-OG1 3.22Å; E105-T122 PolarHBondContact OE2-OG1 2.86Å
106V94.9Very high93Very high4 Ų447.3 Ų47.32%0.02425%0.246CC..EExtended strand (participates in β ladder)trans-104.3132.4-179.9-176.80000109.4I56 C60 F61 T94 V104 R120 I121 V123I56-V106 HydrophobicContact CG2-CG1 4.43Å; C60-V106 HydrophobicContact CB-CG1 3.52Å; F61-V106 HydrophobicContact CE2-CG1 4.08Å; F61-V106 HydrophobicContact CZ-CG1 3.93Å; F61-V106 HydrophobicContact CZ-CG2 4.46Å; T94-V106 HydrophobicContact CG2-CG2 4.26Å; V104-V106 HydrophobicContact CG2-CG2 4.21Å; V106-R120 WeakPolarHBondContact O-CA 3.35Å; V106-I121 PolarHBondContact N-O 3.29Å; V106-I121 PolarHBondContact O-N 2.78Å; V106-V123 HydrophobicContact CG2-CG2 3.83Å
107P93Very high92.7Very high3 Ų346 Ų462%0.01924%0.243CC..EExtended strand (participates in β ladder)trans-65.1149.6177.6-14.827.3000111.7C60 F90 R116C60-P107 VanDerWaalsContact CB-O 3.23Å; C60-P107 WeakPolarHBondContact CB-O 3.35Å; C60-P107 PolarHBondContact SG-O 2.97Å; F90-P107 HydrophobicContact CE1-CG 3.63Å; F90-P107 HydrophobicContact CZ-CG 4.27Å; P107-R116 HydrophobicContact CB-CG 4.31Å
108T92.6Very high92.4Very high38 Ų3853.9 Ų53.923%0.23328%0.279CS..EExtended strand (participates in β ladder)trans-90.8132.3164.8-47.40000109R116 L117 D119T108-R116 CarbonylContact O-C 3.6Å; T108-R116 WeakPolarHBondContact O-CA 3.5Å; T108-L117 HydrophobicContact CG2-CD1 3.88Å; T108-L117 PolarHBondContact O-N 3.37Å; T108-D119 WeakPolarHBondContact CB-O 3.15Å; T108-D119 PolarHBondContact N-O 3Å; T108-D119 PolarHBondContact OG1-O 3.06Å
109Y92.9Very high92.1Very high18 Ų1859.1 Ų59.17%0.07131%0.308CS..EExtended strand (participates in β ladder)trans-107.8130.2177.7-171.7-98.6000110.9D59 Y62 F80 F111 H114 R116D59-Y109 WeakPolarHBondContact O-CB 3.37Å; Y62-Y109 VanDerWaalsContact CB-CE2 3.45Å; Y62-Y109 AromaticContact CD2-CD1 3.79Å; Y62-Y109 HydrophobicContact CD2-CD1 3.79Å; Y62-Y109 HydrophobicContact CD2-CD2 4.26Å; Y62-Y109 AromaticContact CD2-CE1 3.66Å; Y62-Y109 HydrophobicContact CD2-CE1 3.66Å; Y62-Y109 HydrophobicContact CD2-CE2 4.15Å; Y62-Y109 HydrophobicContact CD2-CG 4.09Å; Y62-Y109 AromaticContact CD2-CZ 3.84Å; Y62-Y109 HydrophobicContact CE2-CE1 4.31Å; Y62-Y109 HydrophobicContact CG-CD2 4.44Å; Y62-Y109 HydrophobicContact CG-CE1 4.31Å; Y62-Y109 HydrophobicContact CG-CE2 4.09Å; F80-Y109 WeakPolarHBondContact CE1-OH 3.31Å; Y109-F111 AromaticContact CD1-CD1 3.99Å; Y109-F111 HydrophobicContact CD1-CD1 3.99Å; Y109-F111 HydrophobicContact CD1-CD2 4.35Å; Y109-F111 AromaticContact CD1-CE1 4Å; Y109-F111 HydrophobicContact CD1-CE1 4Å; Y109-F111 HydrophobicContact CD1-CE2 4.34Å; Y109-F111 HydrophobicContact CD1-CG 4.19Å; Y109-F111 HydrophobicContact CD1-CZ 4.19Å; Y109-F111 AromaticContact CE1-CD1 3.89Å; Y109-F111 HydrophobicContact CE1-CD1 3.89Å; Y109-F111 HydrophobicContact CE1-CE1 4.18Å; Y109-F111 HydrophobicContact CE1-CG 4.29Å; Y109-H114 WeakPolarHBondContact OH-CA 3.4Å; Y109-R116 HydrophobicContact CD2-CG 4.3Å
110D91.8Very high92Very high39 Ų3964.5 Ų64.521%0.20932%0.321CS..EExtended strand (participates in β ladder)trans-101.9116.6174.7176.716000111I112 T113 H114 S115 L117D110-I112 VanDerWaalsContact C-N 3.3Å; D110-I112 PolarHBondContact O-N 2.9Å; D110-I112 WeakPolarHBondContact OD1-CB 3.4Å; D110-I112 PolarHBondContact OD1-N 2.98Å; D110-T113 WeakPolarHBondContact CB-OG1 3.43Å; D110-T113 VanDerWaalsContact CG-OG1 3.26Å; D110-T113 VanDerWaalsContact OD2-CB 3.32Å; D110-T113 WeakPolarHBondContact OD2-CB 3.4Å; D110-T113 WeakPolarHBondContact OD2-CG2 3.4Å; D110-T113 PolarHBondContact OD2-N 3.26Å; D110-T113 PolarHBondContact OD2-OG1 2.9Å; D110-H114 VanDerWaalsContact O-CA 3.31Å; D110-H114 WeakPolarHBondContact O-CA 3.39Å; D110-H114 PolarHBondContact O-N 3.39Å; D110-S115 PolarHBondContact N-O 3.18Å; D110-S115 PolarHBondContact O-N 2.95Å; D110-L117 HydrophobicContact CB-CD1 4.45Å; D110-L117 HydrophobicContact CB-CD2 3.86Å; D110-L117 HydrophobicContact CB-CG 4.18Å
111F88.5Confident91.9Very high58 Ų5864.7 Ų64.725%0.25432%0.324SS..THydrogen-bonded Turntrans-75.2-16.7-180-63.2-86.9000113.9D59 Y62 Y109 H114D59-F111 HydrophobicContact CB-CE1 4.22Å; D59-F111 HydrophobicContact CB-CZ 3.67Å; D59-F111 WeakPolarHBondContact OD2-CZ 3.48Å; Y62-F111 HydrophobicContact CE2-CE1 4.25Å; Y109-F111 AromaticContact CD1-CD1 3.99Å; Y109-F111 HydrophobicContact CD1-CD1 3.99Å; Y109-F111 HydrophobicContact CD1-CD2 4.35Å; Y109-F111 AromaticContact CD1-CE1 4Å; Y109-F111 HydrophobicContact CD1-CE1 4Å; Y109-F111 HydrophobicContact CD1-CE2 4.34Å; Y109-F111 HydrophobicContact CD1-CG 4.19Å; Y109-F111 HydrophobicContact CD1-CZ 4.19Å; Y109-F111 AromaticContact CE1-CD1 3.89Å; Y109-F111 HydrophobicContact CE1-CD1 3.89Å; Y109-F111 HydrophobicContact CE1-CE1 4.18Å; Y109-F111 HydrophobicContact CE1-CG 4.29Å; F111-H114 PolarHBondContact O-CE1 2.82Å; F111-H114 PolarHBondContact O-ND1 3.36Å
112I87.7Confident92.1Very high113 Ų11365.4 Ų65.458%0.57932%0.323SS*.THydrogen-bonded Turntrans-80.5-51.1177.7-58.3177.1000108.9D110D110-I112 VanDerWaalsContact C-N 3.3Å; D110-I112 PolarHBondContact O-N 2.9Å; D110-I112 WeakPolarHBondContact OD1-CB 3.4Å; D110-I112 PolarHBondContact OD1-N 2.98Å
113T88Confident92.1Very high56 Ų5661 Ų6134%0.34431%0.309SS..THydrogen-bonded Turntrans-85.3-7.8-179.660.70000114.1K70 D110 S115K70-T113 WeakPolarHBondContact CE-O 3.31Å; K70-T113 PolarHBondContact NZ-O 2.81Å; D110-T113 WeakPolarHBondContact CB-OG1 3.43Å; D110-T113 VanDerWaalsContact CG-OG1 3.26Å; D110-T113 VanDerWaalsContact OD2-CB 3.32Å; D110-T113 WeakPolarHBondContact OD2-CB 3.4Å; D110-T113 WeakPolarHBondContact OD2-CG2 3.4Å; D110-T113 PolarHBondContact OD2-N 3.26Å; D110-T113 PolarHBondContact OD2-OG1 2.9Å; T113-S115 VanDerWaalsContact C-N 3.29Å; T113-S115 WeakPolarHBondContact CB-OG 3.46Å; T113-S115 PolarHBondContact O-N 3.08Å; T113-S115 PolarHBondContact O-OG 2.96Å; T113-S115 PolarHBondContact OG1-OG 2.87Å
114H89.5Confident92.1Very high12 Ų1260.3 Ų60.36%0.05630%0.296CS..THydrogen-bonded Turntrans54.642.5-175.2-62.4-59.8000113L65 A73 F80 Y109 D110 F111 R172L65-H114 HydrophobicContact CD1-CB 4.09Å; A73-H114 HydrophobicContact CB-CB 4.37Å; F80-H114 AromaticContact CE2-CE1 3.98Å; F80-H114 AromaticContact CE2-ND1 3.82Å; F80-H114 HydrophobicContact CZ-CB 4.21Å; F80-H114 AromaticContact CZ-CG 3.87Å; F80-H114 AromaticContact CZ-ND1 3.42Å; F80-H114 WeakPolarHBondContact CZ-ND1 3.39Å; Y109-H114 WeakPolarHBondContact OH-CA 3.4Å; D110-H114 VanDerWaalsContact O-CA 3.31Å; D110-H114 WeakPolarHBondContact O-CA 3.39Å; D110-H114 PolarHBondContact O-N 3.39Å; F111-H114 PolarHBondContact O-CE1 2.82Å; F111-H114 PolarHBondContact O-ND1 3.36Å; H114-R172 PolarHBondContact CE1-NH2 3.43Å; H114-R172 PolarHBondContact NE2-NH2 2.97Å
115S91.6Very high92Very high29 Ų2963.1 Ų63.120%0.20331%0.314CS..EExtended strand (participates in β ladder)trans-140.4155.5-177.522.40000112.9D110 T113D110-S115 PolarHBondContact N-O 3.18Å; D110-S115 PolarHBondContact O-N 2.95Å; T113-S115 VanDerWaalsContact C-N 3.29Å; T113-S115 WeakPolarHBondContact CB-OG 3.46Å; T113-S115 PolarHBondContact O-N 3.08Å; T113-S115 PolarHBondContact O-OG 2.96Å; T113-S115 PolarHBondContact OG1-OG 2.87Å
116R92.3Very high91.8Very high61 Ų6159.7 Ų59.723%0.2330%0.299CS..EExtended strand (participates in β ladder)trans-71.6137.2163-64.8-176.7-175.8175.20.9108.8Y62 V64 D87 P107 T108 Y109Y62-R116 PolarHBondContact O-NE 2.9Å; Y62-R116 PolarHBondContact O-NH2 3.37Å; V64-R116 HydrophobicContact CG2-CG 4.26Å; D87-R116 IonicContact OD2-CZ 3.65Å; D87-R116 IonicContact OD2-NH1 3.48Å; D87-R116 PolarHBondContact OD2-NH1 3.09Å; D87-R116 IonicContact OD2-NH2 3.69Å; D87-R116 PolarHBondContact OD2-NH2 3.15Å; P107-R116 HydrophobicContact CB-CG 4.31Å; T108-R116 CarbonylContact O-C 3.6Å; T108-R116 WeakPolarHBondContact O-CA 3.5Å; Y109-R116 HydrophobicContact CD2-CG 4.3Å
117L91.4Very high91.8Very high73 Ų7361.3 Ų61.338%0.38231%0.307SS..EExtended strand (participates in β ladder)trans-81.4160.5171.6-56.6-178.2000110.3T108 D110 D119T108-L117 HydrophobicContact CG2-CD1 3.88Å; T108-L117 PolarHBondContact O-N 3.37Å; D110-L117 HydrophobicContact CB-CD1 4.45Å; D110-L117 HydrophobicContact CB-CD2 3.86Å; D110-L117 HydrophobicContact CB-CG 4.18Å; L117-D119 VanDerWaalsContact C-N 3.28Å
118E89.1Confident92Very high191 Ų19161.2 Ų61.289%0.89331%0.306SS*.EExtended strand (participates in β ladder)trans-66.2-36.2171.6-66.8-176.2177.400111R120E118-R120 PolarHBondContact O-N 2.88Å
119D89.6Confident92.3Very high124 Ų12459.5 Ų59.566%0.66330%0.296SS*.EExtended strand (participates in β ladder)trans-64.3130.7177-69.1-22.8000112T108 L117T108-D119 WeakPolarHBondContact CB-O 3.15Å; T108-D119 PolarHBondContact N-O 3Å; T108-D119 PolarHBondContact OG1-O 3.06Å; L117-D119 VanDerWaalsContact C-N 3.28Å
120R92.5Very high92.5Very high145 Ų14558.6 Ų58.655%0.54729%0.293SS..EExtended strand (participates in β ladder)trans-117.3152.6177.5-59.8-168.4176.4-153.8-1.3110.9E105 V106 E118E105-R120 HydrophobicContact CB-CB 4.45Å; E105-R120 WeakPolarHBondContact OE2-CB 3.31Å; V106-R120 WeakPolarHBondContact O-CA 3.35Å; E118-R120 PolarHBondContact O-N 2.88Å
121I92.2Very high92.9Very high93 Ų9356.8 Ų56.848%0.47728%0.283SS..EExtended strand (participates in β ladder)trans-104.5117175.7-58.1172.9000107.5V106 V123V106-I121 PolarHBondContact N-O 3.29Å; V106-I121 PolarHBondContact O-N 2.78Å; I121-V123 PolarHBondContact O-N 3.35Å
122T95.1Very high93.3Very high40 Ų4054.4 Ų54.425%0.24527%0.273CS..EExtended strand (participates in β ladder)trans-73.2120.5170.3-44.70000109.8V104 E105 Y124V104-T122 WeakPolarHBondContact O-CA 3.35Å; E105-T122 VanDerWaalsContact OE1-CB 3.27Å; E105-T122 WeakPolarHBondContact OE1-CB 3.36Å; E105-T122 VanDerWaalsContact OE1-CG2 3.28Å; E105-T122 WeakPolarHBondContact OE1-CG2 3.37Å; E105-T122 PolarHBondContact OE1-OG1 3.22Å; E105-T122 PolarHBondContact OE2-OG1 2.86Å; T122-Y124 HydrophobicContact CG2-CD1 4.42Å; T122-Y124 HydrophobicContact CG2-CD2 4.05Å; T122-Y124 HydrophobicContact CG2-CE1 4.02Å; T122-Y124 HydrophobicContact CG2-CE2 3.6Å; T122-Y124 HydrophobicContact CG2-CG 4.45Å
123V94.3Very high93.8Very high18 Ų1849.1 Ų49.111%0.10925%0.245CC..EExtended strand (participates in β ladder)trans-99.3111.2168.4-176.70000107.9A54 I56 P103 V104 V106 I121A54-V123 HydrophobicContact CB-CG1 3.94Å; I56-V123 HydrophobicContact CD1-CG1 4.24Å; I56-V123 HydrophobicContact CD1-CG2 4.23Å; I56-V123 HydrophobicContact CG1-CG2 4.21Å; P103-V123 WeakPolarHBondContact CA-O 3.33Å; V104-V123 HydrophobicContact CG2-CB 3.8Å; V104-V123 HydrophobicContact CG2-CG2 4.46Å; V104-V123 PolarHBondContact N-O 2.98Å; V104-V123 PolarHBondContact O-N 3.34Å; V106-V123 HydrophobicContact CG2-CG2 3.83Å; I121-V123 PolarHBondContact O-N 3.35Å
124Y94.3Very high94.3Very high68 Ų6847 Ų4727%0.26723%0.232SC..  trans-78.2158.9176-67-87.6000111H48 R49 T122 A126H48-Y124 AromaticContact CD2-CE2 3.78Å; R49-Y124 HydrophobicContact CB-CD2 4.25Å; R49-Y124 HydrophobicContact CB-CE2 4.28Å; R49-Y124 HydrophobicContact CB-CG 4.48Å; R49-Y124 HydrophobicContact CG-CD2 4.02Å; R49-Y124 HydrophobicContact CG-CE1 4.4Å; R49-Y124 HydrophobicContact CG-CE2 3.58Å; R49-Y124 PolarHBondContact NE-OH 2.89Å; T122-Y124 HydrophobicContact CG2-CD1 4.42Å; T122-Y124 HydrophobicContact CG2-CD2 4.05Å; T122-Y124 HydrophobicContact CG2-CE1 4.02Å; T122-Y124 HydrophobicContact CG2-CE2 3.6Å; T122-Y124 HydrophobicContact CG2-CG 4.45Å; Y124-A126 PolarHBondContact O-N 2.74Å
125P93.7Very high94.8Very high65 Ų6546.6 Ų46.642%0.42223%0.23SC..  trans-53.7127.8176.4-26.736.6000111.5G101G101-P125 WeakPolarHBondContact O-CG 3.41Å
126A93.8Very high95.1Very high6 Ų645.2 Ų45.25%0.0522%0.221CC..  trans-125159.4-177.400000110.2H15 P17 A54 Y124 V129H15-A126 PolarHBondContact CE1-O 2.69Å; P17-A126 WeakPolarHBondContact CB-O 3.46Å; A54-A126 HydrophobicContact CB-CB 4.15Å; Y124-A126 PolarHBondContact O-N 2.74Å; A126-V129 HydrophobicContact CB-CG2 4.24Å
127D94.4Very high95.4Very high38 Ų3842.3 Ų42.320%0.20321%0.21CC..SBendtrans-73.8-35.8173.2-65.1-85000111.8H15 P17 F18 K52 L225H15-D127 VanDerWaalsContact CE1-CA 3.48Å; H15-D127 WeakPolarHBondContact CE1-CA 3.4Å; H15-D127 IonicContact CE1-OD1 3.1Å; H15-D127 PolarHBondContact CE1-OD1 2.87Å; H15-D127 IonicContact NE2-OD1 3.95Å; H15-D127 PolarHBondContact NE2-OD1 3.11Å; P17-D127 CarbonylContact C-O 3.56Å; P17-D127 WeakPolarHBondContact CA-O 3.25Å; F18-D127 PolarHBondContact N-O 3.11Å; K52-D127 HydrophobicContact CB-CB 4.39Å; K52-D127 WeakPolarHBondContact CB-OD2 3.4Å; K52-D127 VanDerWaalsContact CD-OD2 3.29Å; K52-D127 WeakPolarHBondContact CD-OD2 3.35Å; K52-D127 WeakPolarHBondContact CG-OD2 3.38Å; K52-D127 WeakPolarHBondContact O-CA 3.24Å; K52-D127 WeakPolarHBondContact O-CB 3.4Å; K52-D127 PolarHBondContact O-N 3.38Å; D127-L225 HydrophobicContact CB-CD2 3.35Å
128V97.1Very high95.7Very high0 Ų043.7 Ų43.70%021%0.21CC..EExtended strand (participates in β ladder)trans-134.1137.8-179.7-177.90000109.8F18 I20 K52 V53 A54 L130 I221 I224 L225F18-V128 HydrophobicContact CB-CG2 4.24Å; F18-V128 WeakPolarHBondContact O-CA 3.28Å; F18-V128 WeakPolarHBondContact O-CG1 3.47Å; I20-V128 HydrophobicContact CD1-CG1 3.91Å; I20-V128 HydrophobicContact CG1-CG1 4.22Å; K52-V128 PolarHBondContact O-N 2.86Å; V53-V128 VanDerWaalsContact CA-O 3.28Å; V53-V128 WeakPolarHBondContact CA-O 3.37Å; V53-V128 HydrophobicContact CG1-CB 4.19Å; V53-V128 HydrophobicContact CG1-CG1 4.31Å; V53-V128 HydrophobicContact CG2-CB 4.15Å; A54-V128 PolarHBondContact N-O 3.07Å; V128-L130 HydrophobicContact CG1-CD2 4.38Å; V128-I221 HydrophobicContact CB-CG2 4.49Å; V128-I221 HydrophobicContact CG1-CD1 4.39Å; V128-I221 HydrophobicContact CG1-CG1 4.29Å; V128-I221 HydrophobicContact CG2-CG2 4.04Å; V128-I224 HydrophobicContact CG2-CB 4.48Å; V128-I224 HydrophobicContact CG2-CG2 3.96Å; V128-L225 HydrophobicContact CG2-CD2 4.16Å
129V97.8Very high96.2Very high2 Ų235.9 Ų35.91%0.01218%0.176CC..EExtended strand (participates in β ladder)trans-125.7120.2175.3-177.70000109.7P17 F18 L19 I20 A54 I56 I98 A126P17-V129 HydrophobicContact CB-CG2 4.25Å; F18-V129 PolarHBondContact O-N 3.43Å; L19-V129 HydrophobicContact CD2-CB 3.72Å; L19-V129 HydrophobicContact CD2-CG1 4.45Å; L19-V129 HydrophobicContact CD2-CG2 4.09Å; I20-V129 PolarHBondContact N-O 3.11Å; A54-V129 HydrophobicContact CB-CG2 4.46Å; A54-V129 WeakPolarHBondContact O-CA 3.46Å; I56-V129 HydrophobicContact CD1-CG1 3.92Å; I56-V129 HydrophobicContact CG1-CG1 4.18Å; I98-V129 HydrophobicContact CG2-CG2 3.79Å; A126-V129 HydrophobicContact CB-CG2 4.24Å
130L98.5Very high96.5Very high0 Ų035.4 Ų35.40%017%0.17CC..EExtended strand (participates in β ladder)trans-89.8108.4171.8-55-178.2000108.6I20 C34 I37 V53 A54 I55 I56 V128 I221I20-L130 HydrophobicContact CB-CD2 3.78Å; I20-L130 HydrophobicContact CD1-CD2 3.87Å; I20-L130 HydrophobicContact CG1-CD2 4.22Å; I20-L130 HydrophobicContact CG2-CD2 4.16Å; I20-L130 CarbonylContact O-C 3.59Å; I20-L130 WeakPolarHBondContact O-CA 3.39Å; C34-L130 HydrophobicContact CB-CD1 4.1Å; I37-L130 HydrophobicContact CB-CD1 4.35Å; I37-L130 HydrophobicContact CG2-CD1 4.08Å; V53-L130 HydrophobicContact CG1-CD1 4.44Å; V53-L130 HydrophobicContact CG1-CG 4.28Å; A54-L130 PolarHBondContact O-N 2.85Å; I55-L130 CarbonylContact C-O 3.59Å; I55-L130 VanDerWaalsContact CA-O 3.32Å; I55-L130 WeakPolarHBondContact CA-O 3.39Å; I55-L130 HydrophobicContact CG1-CB 4.16Å; I55-L130 HydrophobicContact CG1-CD1 4.1Å; I56-L130 PolarHBondContact N-O 2.82Å; V128-L130 HydrophobicContact CG1-CD2 4.38Å; L130-I221 HydrophobicContact CD2-CD1 4.3Å
131F98.6Very high96.8Very high0 Ų034.2 Ų34.20%017%0.169CC..EExtended strand (participates in β ladder)trans-103.3108.7176.9-164-86.8000109.8I20 G21 V22 I56 Q58 F61 M91 L95 V136 F146I20-F131 PolarHBondContact O-N 3.22Å; G21-F131 CarbonylContact C-O 3.56Å; G21-F131 WeakPolarHBondContact CA-O 3.4Å; V22-F131 PolarHBondContact N-O 3.47Å; I56-F131 HydrophobicContact CB-CD2 3.7Å; I56-F131 HydrophobicContact CB-CE2 4.01Å; I56-F131 HydrophobicContact CG2-CD2 3.71Å; I56-F131 HydrophobicContact CG2-CE2 3.44Å; I56-F131 VanDerWaalsContact CG2-CE2 3.44Å; I56-F131 HydrophobicContact CG2-CZ 4.43Å; I56-F131 CarbonylContact O-C 3.6Å; I56-F131 WeakPolarHBondContact O-CA 3.48Å; Q58-F131 HydrophobicContact CB-CE1 4.23Å; F61-F131 HydrophobicContact CD2-CZ 4.18Å; F61-F131 AromaticContact CE2-CE2 3.85Å; F61-F131 HydrophobicContact CE2-CE2 3.85Å; F61-F131 AromaticContact CE2-CZ 3.88Å; F61-F131 HydrophobicContact CE2-CZ 3.88Å; F61-F131 HydrophobicContact CZ-CE2 4.23Å; M91-F131 HydrophobicContact CG-CE1 4.14Å; M91-F131 HydrophobicContact CG-CE2 4.44Å; M91-F131 HydrophobicContact CG-CZ 3.6Å; M91-F131 HydrophobicContact SD-CE1 3.69Å; M91-F131 HydrophobicContact SD-CZ 3.63Å; L95-F131 HydrophobicContact CD1-CD2 4.44Å; L95-F131 HydrophobicContact CD1-CE2 4.41Å; L95-F131 HydrophobicContact CD2-CB 4.44Å; L95-F131 HydrophobicContact CD2-CD2 3.67Å; L95-F131 HydrophobicContact CD2-CE2 4.17Å; L95-F131 HydrophobicContact CD2-CG 4.11Å; L95-F131 HydrophobicContact CG-CD2 4.21Å; L95-F131 HydrophobicContact CG-CE2 4.22Å; F131-V136 HydrophobicContact CD1-CB 4.03Å; F131-V136 HydrophobicContact CD1-CG1 3.52Å; F131-V136 HydrophobicContact CE1-CB 4.29Å; F131-V136 HydrophobicContact CE1-CG1 3.58Å; F131-F146 HydrophobicContact CB-CE1 3.61Å; F131-F146 HydrophobicContact CB-CZ 3.96Å; F131-F146 HydrophobicContact CD1-CE1 4.36Å; F131-F146 AromaticContact CD1-CZ 3.85Å; F131-F146 HydrophobicContact CD1-CZ 3.85Å; F131-F146 HydrophobicContact CG-CE1 4.17Å; F131-F146 HydrophobicContact CG-CZ 4.12Å
132E98.6Very high97Very high9 Ų929.8 Ų29.84%0.04215%0.146CC..EExtended strand (participates in β ladder)trans-113.2142-17175.684.3-173.600113V22 K30 S31 I55 I56 S57 Q58V22-E132 HydrophobicContact CB-CB 3.99Å; V22-E132 CarbonylContact O-C 3.59Å; V22-E132 VanDerWaalsContact O-CA 3.24Å; V22-E132 WeakPolarHBondContact O-CA 3.44Å; K30-E132 WeakPolarHBondContact CE-OE2 3.36Å; S31-E132 VanDerWaalsContact OG-CD 3.29Å; S31-E132 PolarHBondContact OG-OE1 3.09Å; S31-E132 PolarHBondContact OG-OE2 3.37Å; I55-E132 HydrophobicContact CG2-CG 4.33Å; I56-E132 PolarHBondContact O-N 3.11Å; S57-E132 CarbonylContact C-O 3.56Å; S57-E132 WeakPolarHBondContact CA-O 3.48Å; S57-E132 WeakPolarHBondContact CB-OE1 3.31Å; S57-E132 PolarHBondContact OG-OE1 3Å; Q58-E132 WeakPolarHBondContact CB-O 3.25Å; Q58-E132 PolarHBondContact N-O 3.39Å
133G98.5Very high97.2Very high1 Ų129.3 Ų29.31%0.0114%0.14CC..  trans170.7167.2176.800000114.4V22 S23 L135V22-G133 PolarHBondContact O-N 2.83Å; S23-G133 WeakPolarHBondContact CA-O 3.49Å; S23-G133 PolarHBondContact OG-O 3.41Å; G133-L135 VanDerWaalsContact C-N 3.29Å; G133-L135 PolarHBondContact O-N 3.47Å
134I98.6Very high97.3Very high13 Ų1334.5 Ų34.57%0.06716%0.163CC..THydrogen-bonded Turntrans-69.6-25.1-175.853.6163.5000113.3S23 D81 F86 C193S23-I134 PolarHBondContact OG-O 3.26Å; D81-I134 HydrophobicContact CB-CD1 4.14Å; D81-I134 WeakPolarHBondContact OD1-CD1 3.38Å; F86-I134 HydrophobicContact CE2-CD1 4.34Å; F86-I134 HydrophobicContact CZ-CD1 4.03Å; F86-I134 HydrophobicContact CZ-CG1 4.08Å; I134-C193 PolarHBondContact O-SG 2.89Å
135L98.6Very high97.5Very high3 Ų332.9 Ų32.92%0.01616%0.158CC..THydrogen-bonded Turntrans-130.820.9-172.6-67-179.5000113.3P83 F86 G133 F137 Y138 P139 F192 C193P83-L135 HydrophobicContact CB-CD1 4.29Å; P83-L135 HydrophobicContact CG-CD1 3.97Å; F86-L135 HydrophobicContact CD2-CD1 4.17Å; F86-L135 HydrophobicContact CE2-CD1 3.83Å; G133-L135 VanDerWaalsContact C-N 3.29Å; G133-L135 PolarHBondContact O-N 3.47Å; L135-F137 PolarHBondContact O-N 3.22Å; L135-F137 VanDerWaalsContact O-N 3.12Å; L135-Y138 WeakPolarHBondContact O-CB 3.38Å; L135-Y138 PolarHBondContact O-N 2.94Å; L135-P139 VanDerWaalsContact O-CD 3.27Å; L135-P139 WeakPolarHBondContact O-CD 3.16Å; L135-F192 HydrophobicContact CD2-CB 3.64Å; L135-C193 HydrophobicContact CD2-CB 4.14Å
136V98.4Very high97.7Very high0 Ų030.1 Ų30.10%014%0.14CC..THydrogen-bonded Turntrans-62.1-22.8-178.2-56.70000113.4Q58 F131 V142 F146Q58-V136 HydrophobicContact CB-CG1 3.99Å; Q58-V136 HydrophobicContact CG-CG1 4.36Å; F131-V136 HydrophobicContact CD1-CB 4.03Å; F131-V136 HydrophobicContact CD1-CG1 3.52Å; F131-V136 HydrophobicContact CE1-CB 4.29Å; F131-V136 HydrophobicContact CE1-CG1 3.58Å; V136-V142 WeakPolarHBondContact O-CG1 3.28Å; V136-F146 HydrophobicContact CB-CE2 4.31Å; V136-F146 HydrophobicContact CB-CZ 4.42Å
137F98.7Very high97.9Very high0 Ų035 Ų350%016%0.161CC..THydrogen-bonded Turntrans-96.6-1176.1-58.9-27000114.2G21 S23 L135 R143 F146 K149 L150 T196G21-F137 WeakPolarHBondContact O-CZ 3.27Å; S23-F137 VanDerWaalsContact CB-CD2 3.43Å; L135-F137 PolarHBondContact O-N 3.22Å; L135-F137 VanDerWaalsContact O-N 3.12Å; F137-R143 PolarHBondContact O-NH1 2.77Å; F137-F146 HydrophobicContact CD1-CD2 4.04Å; F137-F146 HydrophobicContact CD1-CE2 4.13Å; F137-F146 AromaticContact CE1-CD2 3.86Å; F137-F146 HydrophobicContact CE1-CD2 3.86Å; F137-F146 HydrophobicContact CE1-CE2 4.14Å; F137-K149 HydrophobicContact CD1-CD 4.43Å; F137-K149 HydrophobicContact CD1-CG 4.44Å; F137-K149 HydrophobicContact CE1-CB 3.76Å; F137-K149 HydrophobicContact CE1-CD 4.29Å; F137-K149 HydrophobicContact CE1-CG 3.82Å; F137-K149 HydrophobicContact CE2-CB 4.16Å; F137-K149 HydrophobicContact CZ-CB 3.53Å; F137-K149 HydrophobicContact CZ-CG 4.14Å; F137-L150 WeakPolarHBondContact CE2-O 3.4Å; F137-L150 WeakPolarHBondContact CZ-O 3.38Å; F137-T196 HydrophobicContact CB-CG2 4.36Å
138Y98.6Very high98.1Very high101 Ų10134.7 Ų34.740%0.39616%0.159SC..SBendtrans-72.8-55.2-177.5-177-92.9000111.8P83 L135 Q140 F192 T196P83-Y138 HydrophobicContact CB-CD1 3.76Å; P83-Y138 HydrophobicContact CB-CE1 3.45Å; P83-Y138 VanDerWaalsContact CB-CE1 3.45Å; P83-Y138 HydrophobicContact CG-CD1 3.77Å; P83-Y138 HydrophobicContact CG-CD2 4.41Å; P83-Y138 HydrophobicContact CG-CE1 3.35Å; P83-Y138 HydrophobicContact CG-CE2 4.06Å; P83-Y138 HydrophobicContact CG-CG 4.28Å; L135-Y138 WeakPolarHBondContact O-CB 3.38Å; L135-Y138 PolarHBondContact O-N 2.94Å; Y138-Q140 PolarHBondContact O-N 3.5Å; Y138-F192 HydrophobicContact CD2-CB 4.15Å; Y138-F192 HydrophobicContact CE2-CB 4.09Å; Y138-F192 AromaticContact CE2-CD1 3.75Å; Y138-F192 HydrophobicContact CE2-CD1 3.75Å; Y138-F192 HydrophobicContact CE2-CG 4.37Å; Y138-T196 HydrophobicContact CD2-CG2 4.33Å
139P97.7Very high98.2Very high27 Ų2736.1 Ų36.118%0.17517%0.165CC..SBendtrans-71.8121.6176.4-11.528.6000110.3M91 L135 K141 V142 R143M91-P139 HydrophobicContact CE-CG 4.05Å; L135-P139 VanDerWaalsContact O-CD 3.27Å; L135-P139 WeakPolarHBondContact O-CD 3.16Å; P139-K141 VanDerWaalsContact C-N 3.3Å; P139-K141 PolarHBondContact O-N 3.32Å; P139-V142 HydrophobicContact CB-CB 4.2Å; P139-V142 HydrophobicContact CB-CG2 4.18Å; P139-V142 HydrophobicContact CG-CB 4.46Å; P139-V142 HydrophobicContact CG-CG2 4.42Å; P139-V142 PolarHBondContact O-N 3.34Å; P139-V142 VanDerWaalsContact O-N 3.13Å; P139-R143 WeakPolarHBondContact O-CB 3.26Å; P139-R143 PolarHBondContact O-N 2.83Å
140Q97.8Very high98.2Very high114 Ų11436 Ų3653%0.53316%0.164SC..Hα-helixtrans-55.8-44.3-179.1177.4170.92.700112.5Y138 V142 R143 E144Y138-Q140 PolarHBondContact O-N 3.5Å; Q140-V142 VanDerWaalsContact C-N 3.27Å; Q140-V142 PolarHBondContact O-N 3.27Å; Q140-R143 WeakPolarHBondContact O-CB 2.91Å; Q140-R143 PolarHBondContact O-N 3.36Å; Q140-E144 HydrophobicContact CG-CG 4.27Å; Q140-E144 WeakPolarHBondContact CG-OE1 3.4Å; Q140-E144 PolarHBondContact NE2-OE1 3.29Å; Q140-E144 WeakPolarHBondContact O-CG 3.4Å; Q140-E144 PolarHBondContact O-N 3.47Å
141K97.1Very high98.3Very high120 Ų12036 Ų3652%0.52217%0.165SC..Hα-helixtrans-57.1-39.6179.1-67.3-177.7-178.9173.60112.8Y92 P139 M145Y92-K141 HydrophobicContact CD2-CB 3.93Å; Y92-K141 HydrophobicContact CE2-CB 3.8Å; P139-K141 VanDerWaalsContact C-N 3.3Å; P139-K141 PolarHBondContact O-N 3.32Å; K141-M145 VanDerWaalsContact O-CG 3.27Å; K141-M145 WeakPolarHBondContact O-CG 3.43Å
142V97.8Very high98.3Very high1 Ų136.1 Ų36.11%0.00617%0.165CC..Hα-helixtrans-75.2-45.4177.8170.40000110.3M91 Y92 L95 V136 P139 Q140 E144 M145 F146M91-V142 HydrophobicContact CE-CG1 4.37Å; M91-V142 HydrophobicContact CE-CG2 3.95Å; Y92-V142 HydrophobicContact CD2-CG2 4.14Å; L95-V142 HydrophobicContact CD1-CB 4.49Å; L95-V142 HydrophobicContact CD1-CG1 3.58Å; L95-V142 HydrophobicContact CD1-CG2 4.43Å; V136-V142 WeakPolarHBondContact O-CG1 3.28Å; P139-V142 HydrophobicContact CB-CB 4.2Å; P139-V142 HydrophobicContact CB-CG2 4.18Å; P139-V142 HydrophobicContact CG-CB 4.46Å; P139-V142 HydrophobicContact CG-CG2 4.42Å; P139-V142 PolarHBondContact O-N 3.34Å; P139-V142 VanDerWaalsContact O-N 3.13Å; Q140-V142 VanDerWaalsContact C-N 3.27Å; Q140-V142 PolarHBondContact O-N 3.27Å; V142-E144 PolarHBondContact O-N 2.9Å; V142-M145 WeakPolarHBondContact O-CB 3.32Å; V142-M145 PolarHBondContact O-N 3.26Å; V142-F146 HydrophobicContact CG1-CE2 3.84Å; V142-F146 HydrophobicContact CG1-CZ 3.89Å
143R98.3Very high98.2Very high30 Ų3037.9 Ų37.911%0.11318%0.175CC..Hα-helixtrans-54.6-41.1178.8179.5178.359.8-1357.6112.2F137 P139 Q140 M145 F146 K149 Y199F137-R143 PolarHBondContact O-NH1 2.77Å; P139-R143 WeakPolarHBondContact O-CB 3.26Å; P139-R143 PolarHBondContact O-N 2.83Å; Q140-R143 WeakPolarHBondContact O-CB 2.91Å; Q140-R143 PolarHBondContact O-N 3.36Å; R143-M145 PolarHBondContact O-N 2.95Å; R143-F146 PolarHBondContact O-N 2.75Å; R143-K149 HydrophobicContact CG-CD 4.05Å; R143-K149 PolarHBondContact O-NZ 3.19Å; R143-Y199 VanDerWaalsContact CD-CG 3.49Å; R143-Y199 VanDerWaalsContact NH1-CZ 3.29Å
144E97.8Very high98.2Very high126 Ų12638.6 Ų38.659%0.58918%0.179SC*.THydrogen-bonded Turntrans-69.7-14.9-178.3-74.2171.9-179.600113.7Q140 V142Q140-E144 HydrophobicContact CG-CG 4.27Å; Q140-E144 WeakPolarHBondContact CG-OE1 3.4Å; Q140-E144 PolarHBondContact NE2-OE1 3.29Å; Q140-E144 WeakPolarHBondContact O-CG 3.4Å; Q140-E144 PolarHBondContact O-N 3.47Å; V142-E144 PolarHBondContact O-N 2.9Å
145M97.6Very high98.2Very high34 Ų3443.3 Ų43.317%0.16720%0.204CC..THydrogen-bonded Turntrans-79.8-23177.9-53.3-174.970.500113.4L19 Y92 L95 K96 A99 K141 V142 R143L19-M145 HydrophobicContact CD1-CB 4.17Å; Y92-M145 HydrophobicContact CD2-SD 3.61Å; Y92-M145 HydrophobicContact CE2-CG 4.36Å; Y92-M145 HydrophobicContact CE2-SD 3.56Å; Y92-M145 VanDerWaalsContact CE2-SD 3.56Å; L95-M145 VanDerWaalsContact C-CE 3.46Å; L95-M145 HydrophobicContact CB-CE 3.74Å; L95-M145 HydrophobicContact CB-SD 3.67Å; L95-M145 HydrophobicContact CD1-SD 4.35Å; K96-M145 HydrophobicContact CB-CE 4.21Å; A99-M145 HydrophobicContact CB-CE 4.39Å; K141-M145 VanDerWaalsContact O-CG 3.27Å; K141-M145 WeakPolarHBondContact O-CG 3.43Å; V142-M145 WeakPolarHBondContact O-CB 3.32Å; V142-M145 PolarHBondContact O-N 3.26Å; R143-M145 PolarHBondContact O-N 2.95Å
146F98.4Very high98.1Very high8 Ų845.3 Ų45.34%0.03522%0.218CC..  trans-78.1130-177.3-58.6-55.7000111.5L19 L95 F131 V136 F137 V142 R143 K149L19-F146 HydrophobicContact CB-CD1 4.02Å; L95-F146 HydrophobicContact CD1-CE1 4.44Å; L95-F146 HydrophobicContact CD1-CZ 4.22Å; L95-F146 HydrophobicContact CD2-CE1 4.35Å; F131-F146 HydrophobicContact CB-CE1 3.61Å; F131-F146 HydrophobicContact CB-CZ 3.96Å; F131-F146 HydrophobicContact CD1-CE1 4.36Å; F131-F146 AromaticContact CD1-CZ 3.85Å; F131-F146 HydrophobicContact CD1-CZ 3.85Å; F131-F146 HydrophobicContact CG-CE1 4.17Å; F131-F146 HydrophobicContact CG-CZ 4.12Å; V136-F146 HydrophobicContact CB-CE2 4.31Å; V136-F146 HydrophobicContact CB-CZ 4.42Å; F137-F146 HydrophobicContact CD1-CD2 4.04Å; F137-F146 HydrophobicContact CD1-CE2 4.13Å; F137-F146 AromaticContact CE1-CD2 3.86Å; F137-F146 HydrophobicContact CE1-CD2 3.86Å; F137-F146 HydrophobicContact CE1-CE2 4.14Å; V142-F146 HydrophobicContact CG1-CE2 3.84Å; V142-F146 HydrophobicContact CG1-CZ 3.89Å; R143-F146 PolarHBondContact O-N 2.75Å; F146-K149 HydrophobicContact CB-CG 3.89Å; F146-K149 PolarHBondContact O-NZ 2.87Å
147H98.1Very high98.1Very high109 Ų10950.6 Ų50.651%0.50525%0.247SC..SBendtrans-77.6-27.8173.5-5191.2000111.9P17 F18 L19P17-H147 PolarHBondContact O-CE1 3.13Å; P17-H147 VanDerWaalsContact O-CE1 3.22Å; F18-H147 HydrophobicContact CD1-CB 4.34Å; F18-H147 HydrophobicContact CD2-CB 3.78Å; F18-H147 AromaticContact CD2-CG 3.91Å; F18-H147 HydrophobicContact CE1-CB 3.99Å; F18-H147 HydrophobicContact CE2-CB 3.37Å; F18-H147 AromaticContact CE2-CG 3.98Å; F18-H147 HydrophobicContact CG-CB 4.26Å; F18-H147 HydrophobicContact CZ-CB 3.49Å; F18-H147 VanDerWaalsContact CZ-CB 3.49Å; L19-H147 PolarHBondContact N-CE1 3.43Å; L19-H147 PolarHBondContact N-ND1 3.34Å; L19-H147 PolarHBondContact O-N 3.45Å; L19-H147 PolarHBondContact O-ND1 2.92Å
148M98.3Very high98Very high30 Ų3053.2 Ų53.215%0.14826%0.262CS..EExtended strand (participates in β ladder)trans-138.5137.1175.2-173.3-178.4-141.800110.1F18 L19 I20 G21 L150 V202 I217F18-M148 HydrophobicContact CE1-CB 3.9Å; F18-M148 HydrophobicContact CZ-CB 4.17Å; L19-M148 PolarHBondContact O-N 3.02Å; I20-M148 CarbonylContact C-O 3.58Å; I20-M148 WeakPolarHBondContact CA-O 3.42Å; I20-M148 HydrophobicContact CG1-CB 4.29Å; I20-M148 HydrophobicContact CG2-CB 4.27Å; I20-M148 HydrophobicContact CG2-CG 4.49Å; G21-M148 PolarHBondContact N-O 2.93Å; M148-L150 HydrophobicContact CE-CD2 4.13Å; M148-L150 HydrophobicContact CG-CD2 3.98Å; M148-L150 HydrophobicContact CG-CG 4.49Å; M148-L150 HydrophobicContact SD-CD2 3.95Å; M148-V202 HydrophobicContact CE-CG2 4.1Å; M148-I217 HydrophobicContact CE-CD1 3.75Å; M148-I217 HydrophobicContact SD-CD1 4.05Å
149K98.8Very high98Very high30 Ų3048.6 Ų48.613%0.1324%0.244CC..EExtended strand (participates in β ladder)trans-122.7110.7-175.9-59.5179.3-130.5-61.30109.9F137 R143 F146 Y199 D201 V202F137-K149 HydrophobicContact CD1-CD 4.43Å; F137-K149 HydrophobicContact CD1-CG 4.44Å; F137-K149 HydrophobicContact CE1-CB 3.76Å; F137-K149 HydrophobicContact CE1-CD 4.29Å; F137-K149 HydrophobicContact CE1-CG 3.82Å; F137-K149 HydrophobicContact CE2-CB 4.16Å; F137-K149 HydrophobicContact CZ-CB 3.53Å; F137-K149 HydrophobicContact CZ-CG 4.14Å; R143-K149 HydrophobicContact CG-CD 4.05Å; R143-K149 PolarHBondContact O-NZ 3.19Å; F146-K149 HydrophobicContact CB-CG 3.89Å; F146-K149 PolarHBondContact O-NZ 2.87Å; K149-Y199 WeakPolarHBondContact CD-O 3.43Å; K149-D201 WeakPolarHBondContact CB-OD2 3.18Å; K149-D201 PolarHBondContact N-OD2 3.31Å; K149-D201 PolarHBondContact O-N 3.25Å; K149-V202 PolarHBondContact O-N 2.92Å
150L98.8Very high98Very high0 Ų049.2 Ų49.20%025%0.246CC..EExtended strand (participates in β ladder)trans-102.6137.5179.5-52.3-178.7000110I20 G21 V22 S23 F137 M148 V202 I204 I217I20-L150 HydrophobicContact CG2-CD1 3.81Å; I20-L150 HydrophobicContact CG2-CG 3.94Å; G21-L150 PolarHBondContact O-N 3.17Å; V22-L150 CarbonylContact C-O 3.58Å; V22-L150 WeakPolarHBondContact CA-O 3.38Å; V22-L150 HydrophobicContact CG1-CB 4.46Å; V22-L150 HydrophobicContact CG2-CB 4.32Å; V22-L150 HydrophobicContact CG2-CD1 4.2Å; S23-L150 PolarHBondContact N-O 3.37Å; F137-L150 WeakPolarHBondContact CE2-O 3.4Å; F137-L150 WeakPolarHBondContact CZ-O 3.38Å; M148-L150 HydrophobicContact CE-CD2 4.13Å; M148-L150 HydrophobicContact CG-CD2 3.98Å; M148-L150 HydrophobicContact CG-CG 4.49Å; M148-L150 HydrophobicContact SD-CD2 3.95Å; L150-V202 WeakPolarHBondContact CA-O 3.32Å; L150-V202 HydrophobicContact CD2-CB 3.78Å; L150-V202 HydrophobicContact CD2-CG1 4.45Å; L150-V202 HydrophobicContact CD2-CG2 4.32Å; L150-I204 HydrophobicContact CB-CD1 4.39Å; L150-I204 HydrophobicContact CD1-CD1 4.19Å; L150-I217 HydrophobicContact CD1-CD1 4.11Å; L150-I217 HydrophobicContact CD1-CG1 4.18Å; L150-I217 HydrophobicContact CD1-CG2 4.26Å; L150-I217 HydrophobicContact CD2-CD1 3.87Å
151F98.8Very high98Very high1 Ų147.3 Ų47.30%0.00425%0.245CC..EExtended strand (participates in β ladder)trans-122.2115.6171.7-166.4-79.6000110.6S23 D153 K197 A200 V202 I203 I204S23-F151 CarbonylContact O-C 3.54Å; S23-F151 WeakPolarHBondContact O-CA 3.49Å; F151-D153 HydrophobicContact CD1-CB 4.21Å; F151-D153 HydrophobicContact CE1-CB 4.45Å; F151-D153 PolarHBondContact O-N 2.88Å; F151-K197 HydrophobicContact CD1-CB 4.38Å; F151-K197 HydrophobicContact CD1-CD 4.09Å; F151-K197 HydrophobicContact CD1-CG 3.85Å; F151-K197 HydrophobicContact CD2-CB 4.06Å; F151-K197 HydrophobicContact CD2-CG 4.27Å; F151-K197 HydrophobicContact CE1-CB 4.22Å; F151-K197 HydrophobicContact CE1-CD 3.89Å; F151-K197 HydrophobicContact CE1-CG 3.97Å; F151-K197 HydrophobicContact CE2-CB 3.88Å; F151-K197 HydrophobicContact CE2-CG 4.39Å; F151-K197 HydrophobicContact CG-CB 4.3Å; F151-K197 HydrophobicContact CG-CG 4Å; F151-K197 HydrophobicContact CZ-CB 3.96Å; F151-K197 HydrophobicContact CZ-CD 4.35Å; F151-K197 HydrophobicContact CZ-CG 4.24Å; F151-A200 HydrophobicContact CB-CB 3.59Å; F151-V202 PolarHBondContact N-O 3.43Å; F151-I203 CarbonylContact O-C 3.6Å; F151-I203 WeakPolarHBondContact O-CA 3.35Å; F151-I204 PolarHBondContact O-N 3.03Å
152V98.6Very high98Very high1 Ų145.7 Ų45.71%0.00624%0.236CC..EExtended strand (participates in β ladder)trans-83.5108.1176.9-176.40000109.2V22 S23 S28 K30 V33 I204V22-V152 HydrophobicContact CG1-CG2 4Å; S23-V152 PolarHBondContact O-N 3.08Å; S28-V152 WeakPolarHBondContact CB-O 3.21Å; S28-V152 WeakPolarHBondContact O-CG1 3.25Å; S28-V152 PolarHBondContact OG-O 3.28Å; K30-V152 HydrophobicContact CG-CB 4.2Å; K30-V152 HydrophobicContact CG-CG2 4.28Å; V33-V152 HydrophobicContact CG2-CG2 4.39Å; V152-I204 WeakPolarHBondContact CA-O 3.42Å; V152-I204 HydrophobicContact CG2-CB 4.47Å
153D98.2Very high97.9Very high47 Ų4746.1 Ų46.125%0.25124%0.237SC..EExtended strand (participates in β ladder)trans-101.7123.6-172.9-164.742.9000110.6F151 K197 I203 I204 P205 R206F151-D153 HydrophobicContact CD1-CB 4.21Å; F151-D153 HydrophobicContact CE1-CB 4.45Å; F151-D153 PolarHBondContact O-N 2.88Å; D153-K197 IonicContact OD1-NZ 2.65Å; D153-K197 PolarHBondContact OD1-NZ 2.98Å; D153-K197 IonicContact OD2-NZ 3.16Å; D153-K197 PolarHBondContact OD2-NZ 2.8Å; D153-I203 HydrophobicContact CB-CG2 3.6Å; D153-I204 PolarHBondContact N-O 3.48Å; D153-P205 WeakPolarHBondContact O-CA 3.44Å; D153-R206 PolarHBondContact O-N 3.42Å; D153-R206 VanDerWaalsContact O-N 3.16Å
154T97.7Very high97.9Very high15 Ų1545.7 Ų45.79%0.09224%0.238CC..  trans-152139.2-178-57.40000108.2S28 V158 R159S28-T154 PolarHBondContact O-OG1 3Å; T154-V158 HydrophobicContact CG2-CB 3.92Å; T154-V158 HydrophobicContact CG2-CG1 3.67Å; T154-R159 HydrophobicContact CG2-CG 3.9Å; T154-R159 VanDerWaalsContact O-CD 3.31Å; T154-R159 WeakPolarHBondContact O-CD 3.46Å; T154-R159 PolarHBondContact O-NE 3.42Å
155D97.7Very high97.8Very high113 Ų11345 Ų4560%0.60424%0.237SC*.  trans-58.9147.2-176.1-58.1-36000112.2D157 V158 R159D155-D157 VanDerWaalsContact C-N 3.3Å; D155-D157 WeakPolarHBondContact CB-OD1 3.37Å; D155-D157 PolarHBondContact O-N 3.41Å; D155-V158 HydrophobicContact CB-CG2 4.34Å; D155-V158 PolarHBondContact O-N 3.01Å; D155-R159 WeakPolarHBondContact O-CG 3.5Å; D155-R159 PolarHBondContact O-N 3.48Å
156S97.4Very high97.6Very high44 Ų4447 Ų4731%0.30824%0.244SC..Hα-helixtrans-62.9-35.2-171.1-62.80000113.6R159 L160 Y181S156-R159 PolarHBondContact OG-NH2 2.79Å; S156-L160 VanDerWaalsContact O-CB 3.31Å; S156-L160 WeakPolarHBondContact O-CB 3.27Å; S156-L160 PolarHBondContact O-N 3.14Å; S156-Y181 PolarHBondContact O-OH 2.58Å
157D97.6Very high97.4Very high112 Ų11246.8 Ų46.860%0.59924%0.243SC*.Hα-helixtrans-69.1-45.3176.554.6-9.5000112.2D155 R159 L160 S161D155-D157 VanDerWaalsContact C-N 3.3Å; D155-D157 WeakPolarHBondContact CB-OD1 3.37Å; D155-D157 PolarHBondContact O-N 3.41Å; D157-R159 VanDerWaalsContact C-N 3.31Å; D157-R159 PolarHBondContact O-N 3.12Å; D157-L160 PolarHBondContact O-N 2.63Å; D157-S161 WeakPolarHBondContact O-CB 3.4Å; D157-S161 PolarHBondContact O-N 2.97Å
158V97.3Very high97.2Very high54 Ų5446 Ų4633%0.32724%0.24SC..Hα-helixtrans-60.4-44.1173.5176.40000110.2T154 D155 S161 R162T154-V158 HydrophobicContact CG2-CB 3.92Å; T154-V158 HydrophobicContact CG2-CG1 3.67Å; D155-V158 HydrophobicContact CB-CG2 4.34Å; D155-V158 PolarHBondContact O-N 3.01Å; V158-S161 PolarHBondContact O-N 3.39Å; V158-R162 WeakPolarHBondContact O-CG 3.37Å; V158-R162 PolarHBondContact O-N 3.19Å; V158-R162 VanDerWaalsContact O-N 3.09Å
159R97.8Very high96.8Very high4 Ų451.6 Ų51.62%0.01527%0.271CS..Hα-helixtrans-63.5-42.9175.4-72-174.6-62.6110.4-9112.2T26 A27 T154 D155 S156 D157 R162 R163T26-R159 WeakPolarHBondContact O-CB 3.45Å; T26-R159 WeakPolarHBondContact O-CD 3.45Å; A27-R159 WeakPolarHBondContact CB-O 3.5Å; T154-R159 HydrophobicContact CG2-CG 3.9Å; T154-R159 VanDerWaalsContact O-CD 3.31Å; T154-R159 WeakPolarHBondContact O-CD 3.46Å; T154-R159 PolarHBondContact O-NE 3.42Å; D155-R159 WeakPolarHBondContact O-CG 3.5Å; D155-R159 PolarHBondContact O-N 3.48Å; S156-R159 PolarHBondContact OG-NH2 2.79Å; D157-R159 VanDerWaalsContact C-N 3.31Å; D157-R159 PolarHBondContact O-N 3.12Å; R159-R162 PolarHBondContact O-N 3.12Å; R159-R163 VanDerWaalsContact O-CB 3.31Å; R159-R163 WeakPolarHBondContact O-CB 3.2Å; R159-R163 PolarHBondContact O-N 3.32Å
160L97.9Very high96.3Very high41 Ų4154.4 Ų54.422%0.21528%0.28CS..Hα-helixtrans-61.4-48.3177.3175.658.1000111.1S156 D157 R162 R163 V164 L178 Y181S156-L160 VanDerWaalsContact O-CB 3.31Å; S156-L160 WeakPolarHBondContact O-CB 3.27Å; S156-L160 PolarHBondContact O-N 3.14Å; D157-L160 PolarHBondContact O-N 2.63Å; L160-R162 VanDerWaalsContact C-N 3.35Å; L160-R162 PolarHBondContact O-N 2.96Å; L160-R163 WeakPolarHBondContact O-CB 3.47Å; L160-R163 PolarHBondContact O-N 3.42Å; L160-R163 VanDerWaalsContact O-N 3.11Å; L160-V164 HydrophobicContact CD1-CG2 4Å; L160-V164 HydrophobicContact CG-CG2 4.46Å; L160-V164 WeakPolarHBondContact O-CG2 3.37Å; L160-V164 PolarHBondContact O-N 3.35Å; L160-L178 HydrophobicContact CD1-CD2 4.2Å; L160-Y181 HydrophobicContact CB-CE1 4.47Å; L160-Y181 HydrophobicContact CB-CE2 4.25Å; L160-Y181 HydrophobicContact CD1-CD1 3.81Å; L160-Y181 HydrophobicContact CD1-CD2 3.69Å; L160-Y181 HydrophobicContact CD1-CE1 4.07Å; L160-Y181 HydrophobicContact CD1-CE2 3.94Å; L160-Y181 HydrophobicContact CD1-CG 3.61Å; L160-Y181 HydrophobicContact CD2-CD1 4.15Å; L160-Y181 HydrophobicContact CD2-CE1 3.92Å; L160-Y181 HydrophobicContact CG-CE1 4.38Å
161S97.4Very high95.8Very high73 Ų7357.9 Ų57.951%0.5132%0.316SS..Hα-helixtrans-55.2-49.1176.9176.70000111.7D157 V158 R163 V164 L165D157-S161 WeakPolarHBondContact O-CB 3.4Å; D157-S161 PolarHBondContact O-N 2.97Å; V158-S161 PolarHBondContact O-N 3.39Å; S161-R163 PolarHBondContact O-N 3.03Å; S161-V164 PolarHBondContact O-N 3.08Å; S161-L165 PolarHBondContact O-N 2.98Å
162R97.2Very high95.3Very high86 Ų8659.8 Ų59.833%0.32532%0.324SS..Hα-helixtrans-62-40.6176-70.1170.2177.8179.1-2.6112.4A27 V158 R159 L160 R166 D209A27-R162 HydrophobicContact CB-CB 3.91Å; A27-R162 WeakPolarHBondContact O-CD 3.41Å; V158-R162 WeakPolarHBondContact O-CG 3.37Å; V158-R162 PolarHBondContact O-N 3.19Å; V158-R162 VanDerWaalsContact O-N 3.09Å; R159-R162 PolarHBondContact O-N 3.12Å; L160-R162 VanDerWaalsContact C-N 3.35Å; L160-R162 PolarHBondContact O-N 2.96Å; R162-R166 WeakPolarHBondContact O-CB 3.27Å; R162-R166 PolarHBondContact O-N 3.24Å; R162-D209 IonicContact NH2-OD2 3.88Å
163R96.7Very high95.1Very high11 Ų1164.1 Ų64.14%0.04235%0.347CS..Hα-helixtrans-64.2-45.3178.5173.9167.4-177.6162-9.1111.7A27 R159 L160 S161 L165 R166 D167 V185A27-R163 HydrophobicContact CB-CB 4.08Å; R159-R163 VanDerWaalsContact O-CB 3.31Å; R159-R163 WeakPolarHBondContact O-CB 3.2Å; R159-R163 PolarHBondContact O-N 3.32Å; L160-R163 WeakPolarHBondContact O-CB 3.47Å; L160-R163 PolarHBondContact O-N 3.42Å; L160-R163 VanDerWaalsContact O-N 3.11Å; S161-R163 PolarHBondContact O-N 3.03Å; R163-L165 PolarHBondContact O-N 3.1Å; R163-R166 PolarHBondContact O-N 2.9Å; R163-D167 WeakPolarHBondContact CG-OD2 3.41Å; R163-D167 IonicContact CZ-OD2 3.69Å; R163-D167 IonicContact NE-OD2 3.33Å; R163-D167 PolarHBondContact NE-OD2 2.99Å; R163-D167 VanDerWaalsContact NE-OD2 3.1Å; R163-D167 IonicContact NH2-OD2 2.86Å; R163-D167 WeakPolarHBondContact O-CB 3.35Å; R163-D167 PolarHBondContact O-N 3.16Å; R163-V185 VanDerWaalsContact CZ-CG2 3.42Å; R163-V185 VanDerWaalsContact NH2-CG2 3.34Å
164V97.2Very high94.9Very high21 Ų2165.7 Ų65.713%0.12735%0.354CS..Hα-helixtrans-56.8-52.5178.9168.30000110L160 S161 R166 D167 M168 L174 I177 L178L160-V164 HydrophobicContact CD1-CG2 4Å; L160-V164 HydrophobicContact CG-CG2 4.46Å; L160-V164 WeakPolarHBondContact O-CG2 3.37Å; L160-V164 PolarHBondContact O-N 3.35Å; S161-V164 PolarHBondContact O-N 3.08Å; V164-R166 VanDerWaalsContact C-N 3.32Å; V164-R166 PolarHBondContact O-N 3.25Å; V164-D167 PolarHBondContact O-N 3.49Å; V164-M168 HydrophobicContact CG1-CG 4.39Å; V164-M168 HydrophobicContact CG1-SD 3.8Å; V164-M168 WeakPolarHBondContact O-CB 3.44Å; V164-M168 VanDerWaalsContact O-CG 3.25Å; V164-M168 WeakPolarHBondContact O-CG 3.31Å; V164-M168 PolarHBondContact O-N 3.26Å; V164-L174 HydrophobicContact CG1-CD1 3.49Å; V164-L174 VanDerWaalsContact CG1-CD1 3.49Å; V164-L174 HydrophobicContact CG2-CD1 4.41Å; V164-I177 HydrophobicContact CG2-CG2 4Å; V164-L178 HydrophobicContact CG2-CD2 4.06Å
165L95.6Very high94.7Very high110 Ų11071.4 Ų71.458%0.57638%0.38SS*.Hα-helixtrans-58.7-43.2178.7-65.8174000112.4S161 R163 N169S161-L165 PolarHBondContact O-N 2.98Å; R163-L165 PolarHBondContact O-N 3.1Å; L165-N169 PolarHBondContact O-N 3.04Å; L165-N169 PolarHBondContact O-ND2 3.25Å
166R94.8Very high94.4Very high78 Ų7868.4 Ų68.429%0.29436%0.363SS..Hα-helixtrans-65.4-46.3178.9-176.5-162.368.1-164.2-3.3112.5R162 R163 V164 N169 R170R162-R166 WeakPolarHBondContact O-CB 3.27Å; R162-R166 PolarHBondContact O-N 3.24Å; R163-R166 PolarHBondContact O-N 2.9Å; V164-R166 VanDerWaalsContact C-N 3.32Å; V164-R166 PolarHBondContact O-N 3.25Å; R166-N169 WeakPolarHBondContact O-CB 3.23Å; R166-N169 PolarHBondContact O-N 3.45Å; R166-R170 PolarHBondContact O-N 3.17Å
167D93.1Very high94.3Very high3 Ų366.4 Ų66.42%0.01635%0.348CS..Hα-helixtrans-76.2-30-174.1-70.11.3000111.1R163 V164 N169 R170 R172 I177R163-D167 WeakPolarHBondContact CG-OD2 3.41Å; R163-D167 IonicContact CZ-OD2 3.69Å; R163-D167 IonicContact NE-OD2 3.33Å; R163-D167 PolarHBondContact NE-OD2 2.99Å; R163-D167 VanDerWaalsContact NE-OD2 3.1Å; R163-D167 IonicContact NH2-OD2 2.86Å; R163-D167 WeakPolarHBondContact O-CB 3.35Å; R163-D167 PolarHBondContact O-N 3.16Å; V164-D167 PolarHBondContact O-N 3.49Å; D167-N169 VanDerWaalsContact C-N 3.34Å; D167-R170 CarbonylContact O-C 3.6Å; D167-R170 WeakPolarHBondContact O-CA 3.36Å; D167-R170 WeakPolarHBondContact O-CB 3.14Å; D167-R170 PolarHBondContact O-N 3.46Å; D167-R172 WeakPolarHBondContact O-CB 3.47Å; D167-R172 PolarHBondContact O-N 2.97Å; D167-I177 HydrophobicContact CB-CD1 3.65Å; D167-I177 HydrophobicContact CB-CG1 3.9Å
168M93.8Very high94.2Very high92 Ų9264.3 Ų64.345%0.45334%0.337SS..Hα-helixtrans-61.4-41168.5-73.4179.372.100111.8V164 R170 G171 I177V164-M168 HydrophobicContact CG1-CG 4.39Å; V164-M168 HydrophobicContact CG1-SD 3.8Å; V164-M168 WeakPolarHBondContact O-CB 3.44Å; V164-M168 VanDerWaalsContact O-CG 3.25Å; V164-M168 WeakPolarHBondContact O-CG 3.31Å; V164-M168 PolarHBondContact O-N 3.26Å; M168-R170 PolarHBondContact O-N 3.3Å; M168-R170 VanDerWaalsContact O-N 3.13Å; M168-G171 PolarHBondContact O-N 3.15Å; M168-I177 HydrophobicContact CG-CD1 3.83Å
169N91.5Very high94.1Very high147 Ų14765.7 Ų65.779%0.78634%0.342SS*.THydrogen-bonded Turntrans-64.3-14.4173.2-71-21.5000113.5L165 R166 D167 G171L165-N169 PolarHBondContact O-N 3.04Å; L165-N169 PolarHBondContact O-ND2 3.25Å; R166-N169 WeakPolarHBondContact O-CB 3.23Å; R166-N169 PolarHBondContact O-N 3.45Å; D167-N169 VanDerWaalsContact C-N 3.34Å; N169-G171 VanDerWaalsContact C-N 3.34Å
170R88.2Confident93.9Very high89 Ų8965.8 Ų65.834%0.33634%0.343SS..THydrogen-bonded Turntrans-939172.5-62.3172.8174.1-169-7.9112.7R166 D167 M168R166-R170 PolarHBondContact O-N 3.17Å; D167-R170 CarbonylContact O-C 3.6Å; D167-R170 WeakPolarHBondContact O-CA 3.36Å; D167-R170 WeakPolarHBondContact O-CB 3.14Å; D167-R170 PolarHBondContact O-N 3.46Å; M168-R170 PolarHBondContact O-N 3.3Å; M168-R170 VanDerWaalsContact O-N 3.13Å
171G88.1Confident93.9Very high73 Ų7364.5 Ų64.575%0.75334%0.335SS*.THydrogen-bonded Turntrans80.118.2178.200000114.7M168 N169M168-G171 PolarHBondContact O-N 3.15Å; N169-G171 VanDerWaalsContact C-N 3.34Å
172R88.3Confident93.9Very high42 Ų4265 Ų6516%0.15834%0.335CS..  trans-90.9143.5177.3-67.4-175.1147.5-146.4-13.2111.8H114 D167 I177H114-R172 PolarHBondContact CE1-NH2 3.43Å; H114-R172 PolarHBondContact NE2-NH2 2.97Å; D167-R172 WeakPolarHBondContact O-CB 3.47Å; D167-R172 PolarHBondContact O-N 2.97Å; R172-I177 HydrophobicContact CB-CD1 3.92Å; R172-I177 HydrophobicContact CB-CG1 3.9Å
173D93Very high93.9Very high92 Ų9264.8 Ų64.849%0.49234%0.344SS..  trans-72.8145.4177.9176.367.4000112.5E175 Q176 I177D173-E175 PolarHBondContact O-N 3.38Å; D173-E175 WeakPolarHBondContact OD2-CA 3.42Å; D173-E175 VanDerWaalsContact OD2-CB 3.26Å; D173-E175 WeakPolarHBondContact OD2-CB 3.49Å; D173-E175 PolarHBondContact OD2-N 3.14Å; D173-Q176 HydrophobicContact CB-CB 4.19Å; D173-Q176 PolarHBondContact O-N 2.92Å; D173-Q176 PolarHBondContact OD2-N 2.85Å; D173-I177 WeakPolarHBondContact O-CD1 3.42Å; D173-I177 WeakPolarHBondContact O-CG1 3.41Å; D173-I177 PolarHBondContact O-N 2.9Å
174L94.8Very high93.9Very high79 Ų7966.4 Ų66.441%0.41435%0.351SS..Hα-helixtrans-61.1-46.1-177.2176.262000112.2V164 Q176 I177 L178V164-L174 HydrophobicContact CG1-CD1 3.49Å; V164-L174 VanDerWaalsContact CG1-CD1 3.49Å; V164-L174 HydrophobicContact CG2-CD1 4.41Å; L174-Q176 VanDerWaalsContact C-N 3.33Å; L174-Q176 PolarHBondContact O-N 3.33Å; L174-I177 PolarHBondContact O-N 2.92Å; L174-L178 HydrophobicContact CD1-CD1 4.12Å; L174-L178 HydrophobicContact CD1-CG 4.15Å; L174-L178 HydrophobicContact CG-CD1 4.21Å; L174-L178 WeakPolarHBondContact O-CG 3.42Å; L174-L178 PolarHBondContact O-N 2.94Å
175E94.1Very high94Very high136 Ų13665.4 Ų65.464%0.63635%0.345SS*.Hα-helixtrans-64.7-42.6-178.7-168.7-177.6172.500110.1D173 I177 L178 N179D173-E175 PolarHBondContact O-N 3.38Å; D173-E175 WeakPolarHBondContact OD2-CA 3.42Å; D173-E175 VanDerWaalsContact OD2-CB 3.26Å; D173-E175 WeakPolarHBondContact OD2-CB 3.49Å; D173-E175 PolarHBondContact OD2-N 3.14Å; E175-I177 PolarHBondContact O-N 3.48Å; E175-L178 PolarHBondContact O-N 3.3Å; E175-N179 VanDerWaalsContact O-CB 3.3Å; E175-N179 WeakPolarHBondContact O-CB 3.4Å; E175-N179 VanDerWaalsContact O-CG 3.27Å; E175-N179 PolarHBondContact O-N 3.27Å; E175-N179 PolarHBondContact O-ND2 2.65Å
176Q91.5Very high94.1Very high50 Ų5064.7 Ų64.723%0.23434%0.337CS..Hα-helixtrans-60.4-42.8174.5-171.5-178.44.300112.3L74 K75 G76 D173 L174 Q180L74-Q176 PolarHBondContact O-NE2 2.86Å; K75-Q176 VanDerWaalsContact C-NE2 3.29Å; G76-Q176 VanDerWaalsContact N-NE2 3.17Å; D173-Q176 HydrophobicContact CB-CB 4.19Å; D173-Q176 PolarHBondContact O-N 2.92Å; D173-Q176 PolarHBondContact OD2-N 2.85Å; L174-Q176 VanDerWaalsContact C-N 3.33Å; L174-Q176 PolarHBondContact O-N 3.33Å; Q176-Q180 WeakPolarHBondContact O-CB 3.41Å; Q176-Q180 PolarHBondContact O-N 3.36Å
177I93.7Very high94.3Very high1 Ų163.5 Ų63.51%0.00534%0.34CS..Hα-helixtrans-62.1-47.7178-68.4159.3000110.6V164 D167 M168 R172 D173 L174 E175 Q180 Y181V164-I177 HydrophobicContact CG2-CG2 4Å; D167-I177 HydrophobicContact CB-CD1 3.65Å; D167-I177 HydrophobicContact CB-CG1 3.9Å; M168-I177 HydrophobicContact CG-CD1 3.83Å; R172-I177 HydrophobicContact CB-CD1 3.92Å; R172-I177 HydrophobicContact CB-CG1 3.9Å; D173-I177 WeakPolarHBondContact O-CD1 3.42Å; D173-I177 WeakPolarHBondContact O-CG1 3.41Å; D173-I177 PolarHBondContact O-N 2.9Å; L174-I177 PolarHBondContact O-N 2.92Å; E175-I177 PolarHBondContact O-N 3.48Å; I177-Q180 PolarHBondContact O-N 2.86Å; I177-Y181 WeakPolarHBondContact O-CB 3.35Å; I177-Y181 PolarHBondContact O-N 3.18Å
178L96.1Very high94.5Very high68 Ų6863.5 Ų63.536%0.35634%0.34SS..Hα-helixtrans-65.5-43.6-179-67.1178.7000111.4L160 V164 L174 E175 Y181 T182L160-L178 HydrophobicContact CD1-CD2 4.2Å; V164-L178 HydrophobicContact CG2-CD2 4.06Å; L174-L178 HydrophobicContact CD1-CD1 4.12Å; L174-L178 HydrophobicContact CD1-CG 4.15Å; L174-L178 HydrophobicContact CG-CD1 4.21Å; L174-L178 WeakPolarHBondContact O-CG 3.42Å; L174-L178 PolarHBondContact O-N 2.94Å; E175-L178 PolarHBondContact O-N 3.3Å; L178-Y181 WeakPolarHBondContact O-CB 3.47Å; L178-Y181 PolarHBondContact O-N 3.24Å; L178-Y181 VanDerWaalsContact O-N 3.17Å; L178-T182 WeakPolarHBondContact O-CG2 3.46Å; L178-T182 PolarHBondContact O-N 3.46Å; L178-T182 PolarHBondContact O-OG1 2.75Å; L178-T182 VanDerWaalsContact O-OG1 3.06Å
179N95.1Very high94.8Very high84 Ų8460 Ų6045%0.44932%0.322SS..Hα-helixtrans-62.6-43.4176.4-75.3-23.8000112E175 Y181 T182 T183E175-N179 VanDerWaalsContact O-CB 3.3Å; E175-N179 WeakPolarHBondContact O-CB 3.4Å; E175-N179 VanDerWaalsContact O-CG 3.27Å; E175-N179 PolarHBondContact O-N 3.27Å; E175-N179 PolarHBondContact O-ND2 2.65Å; N179-Y181 VanDerWaalsContact C-N 3.29Å; N179-Y181 PolarHBondContact O-N 3.44Å; N179-T182 PolarHBondContact O-OG1 3.06Å; N179-T182 VanDerWaalsContact O-OG1 3.12Å; N179-T183 WeakPolarHBondContact O-CB 3.48Å; N179-T183 PolarHBondContact O-N 3.12Å; N179-T183 PolarHBondContact O-OG1 3Å
180Q94.8Very high95.1Very high5 Ų557.5 Ų57.52%0.02331%0.306CS..Hα-helixtrans-63.2-39.2174.7-169.9-177.728.900111.1Q176 I177 F184 V185Q176-Q180 WeakPolarHBondContact O-CB 3.41Å; Q176-Q180 PolarHBondContact O-N 3.36Å; I177-Q180 PolarHBondContact O-N 2.86Å; Q180-F184 HydrophobicContact CG-CD2 4.15Å; Q180-F184 PolarHBondContact O-N 3.17Å; Q180-V185 PolarHBondContact O-N 3.02Å
181Y97.2Very high95.6Very high14 Ų1459.2 Ų59.26%0.05532%0.318CS..Iπ-helixtrans-64.5-49.8-179.6-179.4-91.5000112.6S156 L160 I177 L178 N179 V185 K186S156-Y181 PolarHBondContact O-OH 2.58Å; L160-Y181 HydrophobicContact CB-CE1 4.47Å; L160-Y181 HydrophobicContact CB-CE2 4.25Å; L160-Y181 HydrophobicContact CD1-CD1 3.81Å; L160-Y181 HydrophobicContact CD1-CD2 3.69Å; L160-Y181 HydrophobicContact CD1-CE1 4.07Å; L160-Y181 HydrophobicContact CD1-CE2 3.94Å; L160-Y181 HydrophobicContact CD1-CG 3.61Å; L160-Y181 HydrophobicContact CD2-CD1 4.15Å; L160-Y181 HydrophobicContact CD2-CE1 3.92Å; L160-Y181 HydrophobicContact CG-CE1 4.38Å; I177-Y181 WeakPolarHBondContact O-CB 3.35Å; I177-Y181 PolarHBondContact O-N 3.18Å; L178-Y181 WeakPolarHBondContact O-CB 3.47Å; L178-Y181 PolarHBondContact O-N 3.24Å; L178-Y181 VanDerWaalsContact O-N 3.17Å; N179-Y181 VanDerWaalsContact C-N 3.29Å; N179-Y181 PolarHBondContact O-N 3.44Å; Y181-V185 HydrophobicContact CD2-CB 3.76Å; Y181-V185 HydrophobicContact CD2-CG1 3.68Å; Y181-V185 HydrophobicContact CD2-CG2 4.35Å; Y181-V185 HydrophobicContact CE2-CB 4.38Å; Y181-V185 HydrophobicContact CE2-CG1 3.93Å; Y181-V185 HydrophobicContact CG-CB 4.29Å; Y181-V185 PolarHBondContact O-N 3.37Å; Y181-K186 HydrophobicContact CD1-CB 4.29Å; Y181-K186 HydrophobicContact CE1-CB 3.88Å; Y181-K186 HydrophobicContact CE1-CD 4.4Å; Y181-K186 WeakPolarHBondContact O-CB 3.48Å; Y181-K186 PolarHBondContact O-N 2.86Å
182T97.1Very high96.1Very high84 Ų8456.5 Ų56.552%0.51529%0.285SS..Iπ-helixtrans-67.5-37.7-179.551.70000112L178 N179 P187L178-T182 WeakPolarHBondContact O-CG2 3.46Å; L178-T182 PolarHBondContact O-N 3.46Å; L178-T182 PolarHBondContact O-OG1 2.75Å; L178-T182 VanDerWaalsContact O-OG1 3.06Å; N179-T182 PolarHBondContact O-OG1 3.06Å; N179-T182 VanDerWaalsContact O-OG1 3.12Å; T182-P187 WeakPolarHBondContact O-CD 3.11Å
183T97.3Very high96.6Very high82 Ų8254.6 Ų54.650%0.50328%0.278SS..Iπ-helixtrans-78.4-40.9-175.9-52.80000112.8N179N179-T183 WeakPolarHBondContact O-CB 3.48Å; N179-T183 PolarHBondContact O-N 3.12Å; N179-T183 PolarHBondContact O-OG1 3Å
184F97.8Very high96.8Very high45 Ų4553.5 Ų53.520%0.19727%0.272CS..Iπ-helixtrans-121.5-53.4-169.9-61.3-62.7000113.2G76 N79 Q180 P187 A188G76-F184 WeakPolarHBondContact O-CE2 3.26Å; N79-F184 HydrophobicContact CB-CB 4.27Å; N79-F184 HydrophobicContact CB-CD1 3.58Å; N79-F184 HydrophobicContact CB-CE1 4.14Å; N79-F184 HydrophobicContact CB-CG 4.04Å; Q180-F184 HydrophobicContact CG-CD2 4.15Å; Q180-F184 PolarHBondContact O-N 3.17Å; F184-P187 WeakPolarHBondContact O-CD 3.36Å; F184-A188 WeakPolarHBondContact O-CB 3.49Å; F184-A188 PolarHBondContact O-N 2.94Å
185V97.9Very high97Very high0 Ų052.6 Ų52.60%027%0.271CS..Iπ-helixtrans-66.4-48.3-166.6-178.60000111.7T26 D81 R163 Q180 Y181 F189T26-V185 HydrophobicContact CG2-CG1 3.78Å; D81-V185 WeakPolarHBondContact OD2-CG2 3.33Å; R163-V185 VanDerWaalsContact CZ-CG2 3.42Å; R163-V185 VanDerWaalsContact NH2-CG2 3.34Å; Q180-V185 PolarHBondContact O-N 3.02Å; Y181-V185 HydrophobicContact CD2-CB 3.76Å; Y181-V185 HydrophobicContact CD2-CG1 3.68Å; Y181-V185 HydrophobicContact CD2-CG2 4.35Å; Y181-V185 HydrophobicContact CE2-CB 4.38Å; Y181-V185 HydrophobicContact CE2-CG1 3.93Å; Y181-V185 HydrophobicContact CG-CB 4.29Å; Y181-V185 PolarHBondContact O-N 3.37Å; V185-F189 WeakPolarHBondContact O-CB 3.14Å; V185-F189 PolarHBondContact O-N 2.89Å
186K98.2Very high97.2Very high94 Ų9446.3 Ų46.341%0.40924%0.242SC..Hα-helixtrans-65.1-52.1-178.8172.6-180179.3-179.30110.9Y181 A188 F189 E190Y181-K186 HydrophobicContact CD1-CB 4.29Å; Y181-K186 HydrophobicContact CE1-CB 3.88Å; Y181-K186 HydrophobicContact CE1-CD 4.4Å; Y181-K186 WeakPolarHBondContact O-CB 3.48Å; Y181-K186 PolarHBondContact O-N 2.86Å; K186-A188 PolarHBondContact O-N 3.23Å; K186-F189 PolarHBondContact O-N 2.7Å; K186-E190 WeakPolarHBondContact CE-OE1 3.18Å; K186-E190 WeakPolarHBondContact CG-OE1 3.3Å; K186-E190 WeakPolarHBondContact O-CG 3.47Å; K186-E190 PolarHBondContact O-N 3.44Å
187P98.6Very high97.6Very high54 Ų5446.3 Ų46.335%0.35124%0.241SC..Hα-helixtrans-55.9-48.7174.6-27.435.6000113.1T182 F184 F189 E190 E191T182-P187 WeakPolarHBondContact O-CD 3.11Å; F184-P187 WeakPolarHBondContact O-CD 3.36Å; P187-F189 VanDerWaalsContact C-N 3.32Å; P187-F189 PolarHBondContact O-N 2.87Å; P187-E190 PolarHBondContact O-N 3.13Å; P187-E191 VanDerWaalsContact O-CB 3.26Å; P187-E191 WeakPolarHBondContact O-CB 3.35Å; P187-E191 PolarHBondContact O-N 2.92Å
188A98.4Very high97.8Very high2 Ų253.5 Ų53.52%0.01727%0.273CS..Hα-helixtrans-64.8-35.4-179.300000112.7D81 F184 K186 F192D81-A188 HydrophobicContact CB-CB 3.55Å; F184-A188 WeakPolarHBondContact O-CB 3.49Å; F184-A188 PolarHBondContact O-N 2.94Å; K186-A188 PolarHBondContact O-N 3.23Å; A188-F192 HydrophobicContact CB-CD2 3.93Å; A188-F192 HydrophobicContact CB-CE2 4.24Å; A188-F192 WeakPolarHBondContact O-CB 3.38Å; A188-F192 WeakPolarHBondContact O-CD2 3.34Å; A188-F192 PolarHBondContact O-N 3.29Å
189F98.6Very high97.9Very high19 Ų1954.2 Ų54.28%0.08327%0.271CS..Iπ-helixtrans-63.3-48.7172.7169.8-99.7000111.4V185 K186 P187 E191 C193 L194V185-F189 WeakPolarHBondContact O-CB 3.14Å; V185-F189 PolarHBondContact O-N 2.89Å; K186-F189 PolarHBondContact O-N 2.7Å; P187-F189 VanDerWaalsContact C-N 3.32Å; P187-F189 PolarHBondContact O-N 2.87Å; F189-E191 VanDerWaalsContact C-N 3.32Å; F189-E191 PolarHBondContact O-N 3.31Å; F189-C193 HydrophobicContact CD2-CB 3.58Å; F189-C193 HydrophobicContact CE2-CB 4.09Å; F189-C193 HydrophobicContact CG-CB 4.38Å; F189-C193 WeakPolarHBondContact O-CB 3.26Å; F189-C193 PolarHBondContact O-N 2.9Å; F189-C193 VanDerWaalsContact O-N 3.12Å; F189-L194 HydrophobicContact CE1-CB 4.07Å; F189-L194 HydrophobicContact CE1-CD1 4.37Å; F189-L194 HydrophobicContact CE1-CD2 4.35Å; F189-L194 HydrophobicContact CZ-CB 4.06Å; F189-L194 HydrophobicContact CZ-CD1 4.05Å; F189-L194 WeakPolarHBondContact O-CB 3.34Å; F189-L194 PolarHBondContact O-N 3.29Å
190E98.4Very high98.1Very high94 Ų9451.2 Ų51.244%0.43926%0.258SS..Iπ-helixtrans-65.8-35.8-178.7-70.7171.1-179.500111.9K186 P187 P195K186-E190 WeakPolarHBondContact CE-OE1 3.18Å; K186-E190 WeakPolarHBondContact CG-OE1 3.3Å; K186-E190 WeakPolarHBondContact O-CG 3.47Å; K186-E190 PolarHBondContact O-N 3.44Å; P187-E190 PolarHBondContact O-N 3.13Å; E190-P195 WeakPolarHBondContact O-CD 3.46Å
191E98.6Very high98.3Very high125 Ų12555.7 Ų55.758%0.58428%0.282SS*.Iπ-helixtrans-83.2-45.5-177.6-171.1177.417700113.4P187 F189 P195P187-E191 VanDerWaalsContact O-CB 3.26Å; P187-E191 WeakPolarHBondContact O-CB 3.35Å; P187-E191 PolarHBondContact O-N 2.92Å; F189-E191 VanDerWaalsContact C-N 3.32Å; F189-E191 PolarHBondContact O-N 3.31Å; E191-P195 WeakPolarHBondContact O-CG 3.47Å
192F98.6Very high98.3Very high16 Ų1657.8 Ų57.87%0.0730%0.296CS..Iπ-helixtrans-109.6-37.4-169.3-52-62.9000113.7H82 P83 L135 Y138 A188 T196H82-F192 AromaticContact CD2-CE2 3.44Å; H82-F192 VanDerWaalsContact CD2-CE2 3.44Å; H82-F192 WeakPolarHBondContact CD2-CE2 3.48Å; H82-F192 AromaticContact CD2-CZ 3.49Å; H82-F192 VanDerWaalsContact CD2-CZ 3.49Å; H82-F192 WeakPolarHBondContact CD2-CZ 3.49Å; H82-F192 AromaticContact NE2-CZ 3.61Å; P83-F192 HydrophobicContact CG-CB 4.17Å; P83-F192 HydrophobicContact CG-CD1 3.79Å; P83-F192 HydrophobicContact CG-CD2 4.31Å; P83-F192 HydrophobicContact CG-CE1 4.26Å; P83-F192 HydrophobicContact CG-CG 3.82Å; L135-F192 HydrophobicContact CD2-CB 3.64Å; Y138-F192 HydrophobicContact CD2-CB 4.15Å; Y138-F192 HydrophobicContact CE2-CB 4.09Å; Y138-F192 AromaticContact CE2-CD1 3.75Å; Y138-F192 HydrophobicContact CE2-CD1 3.75Å; Y138-F192 HydrophobicContact CE2-CG 4.37Å; A188-F192 HydrophobicContact CB-CD2 3.93Å; A188-F192 HydrophobicContact CB-CE2 4.24Å; A188-F192 WeakPolarHBondContact O-CB 3.38Å; A188-F192 WeakPolarHBondContact O-CD2 3.34Å; A188-F192 PolarHBondContact O-N 3.29Å; F192-T196 VanDerWaalsContact O-CG2 3.25Å; F192-T196 WeakPolarHBondContact O-CG2 3.5Å
193C98.4Very high98.4Very high2 Ų257.8 Ų57.81%0.01429%0.292CS..Iπ-helixtrans-86.5-54.8-174.8-178.70000111.8I134 L135 F189 T196I134-C193 PolarHBondContact O-SG 2.89Å; L135-C193 HydrophobicContact CD2-CB 4.14Å; F189-C193 HydrophobicContact CD2-CB 3.58Å; F189-C193 HydrophobicContact CE2-CB 4.09Å; F189-C193 HydrophobicContact CG-CB 4.38Å; F189-C193 WeakPolarHBondContact O-CB 3.26Å; F189-C193 PolarHBondContact O-N 2.9Å; F189-C193 VanDerWaalsContact O-N 3.12Å; C193-T196 WeakPolarHBondContact O-CB 3.29Å; C193-T196 PolarHBondContact O-N 3.29Å; C193-T196 PolarHBondContact O-OG1 3.19Å
194L98.6Very high98.4Very high69 Ų6953.9 Ų53.936%0.36127%0.268SS..G310 helixtrans-58-40.8-174.1-177.262.5000113F189 T196 K197F189-L194 HydrophobicContact CE1-CB 4.07Å; F189-L194 HydrophobicContact CE1-CD1 4.37Å; F189-L194 HydrophobicContact CE1-CD2 4.35Å; F189-L194 HydrophobicContact CZ-CB 4.06Å; F189-L194 HydrophobicContact CZ-CD1 4.05Å; F189-L194 WeakPolarHBondContact O-CB 3.34Å; F189-L194 PolarHBondContact O-N 3.29Å; L194-T196 PolarHBondContact O-N 3.49Å; L194-T196 VanDerWaalsContact O-N 3.14Å; L194-K197 HydrophobicContact CD1-CD 4.23Å; L194-K197 WeakPolarHBondContact O-CB 3.22Å; L194-K197 PolarHBondContact O-N 2.89Å
195P98.8Very high98.4Very high60 Ų6054.1 Ų54.139%0.3927%0.274SS..G310 helixtrans-64.5-19.9177.2-26.139.3000113.7E190 E191 K197 K198E190-P195 WeakPolarHBondContact O-CD 3.46Å; E191-P195 WeakPolarHBondContact O-CG 3.47Å; P195-K197 VanDerWaalsContact C-N 3.28Å; P195-K198 VanDerWaalsContact O-CD 3.32Å; P195-K198 WeakPolarHBondContact O-CD 3.42Å; P195-K198 WeakPolarHBondContact O-CE 3.33Å; P195-K198 VanDerWaalsContact O-CG 3.26Å; P195-K198 WeakPolarHBondContact O-CG 3.31Å
196T98.7Very high98Very high5 Ų561.1 Ų61.13%0.03130%0.301CS..G310 helixtrans-78.7-12.5177.473.30000113.2F137 Y138 F192 C193 L194 K198 Y199F137-T196 HydrophobicContact CB-CG2 4.36Å; Y138-T196 HydrophobicContact CD2-CG2 4.33Å; F192-T196 VanDerWaalsContact O-CG2 3.25Å; F192-T196 WeakPolarHBondContact O-CG2 3.5Å; C193-T196 WeakPolarHBondContact O-CB 3.29Å; C193-T196 PolarHBondContact O-N 3.29Å; C193-T196 PolarHBondContact O-OG1 3.19Å; L194-T196 PolarHBondContact O-N 3.49Å; L194-T196 VanDerWaalsContact O-N 3.14Å; T196-K198 PolarHBondContact O-N 3.44Å; T196-K198 VanDerWaalsContact O-N 3.15Å; T196-Y199 WeakPolarHBondContact O-CB 3.39Å; T196-Y199 WeakPolarHBondContact O-CD2 3.33Å; T196-Y199 PolarHBondContact O-N 2.94Å
197K98.6Very high97.8Very high50 Ų5056.6 Ų56.622%0.21728%0.281CS..G310 helixtrans-55.5-31.9175.4-174.5175.1179176.80112.5F151 D153 L194 P195 Y199 A200 I203F151-K197 HydrophobicContact CD1-CB 4.38Å; F151-K197 HydrophobicContact CD1-CD 4.09Å; F151-K197 HydrophobicContact CD1-CG 3.85Å; F151-K197 HydrophobicContact CD2-CB 4.06Å; F151-K197 HydrophobicContact CD2-CG 4.27Å; F151-K197 HydrophobicContact CE1-CB 4.22Å; F151-K197 HydrophobicContact CE1-CD 3.89Å; F151-K197 HydrophobicContact CE1-CG 3.97Å; F151-K197 HydrophobicContact CE2-CB 3.88Å; F151-K197 HydrophobicContact CE2-CG 4.39Å; F151-K197 HydrophobicContact CG-CB 4.3Å; F151-K197 HydrophobicContact CG-CG 4Å; F151-K197 HydrophobicContact CZ-CB 3.96Å; F151-K197 HydrophobicContact CZ-CD 4.35Å; F151-K197 HydrophobicContact CZ-CG 4.24Å; D153-K197 IonicContact OD1-NZ 2.65Å; D153-K197 PolarHBondContact OD1-NZ 2.98Å; D153-K197 IonicContact OD2-NZ 3.16Å; D153-K197 PolarHBondContact OD2-NZ 2.8Å; L194-K197 HydrophobicContact CD1-CD 4.23Å; L194-K197 WeakPolarHBondContact O-CB 3.22Å; L194-K197 PolarHBondContact O-N 2.89Å; P195-K197 VanDerWaalsContact C-N 3.28Å; K197-Y199 PolarHBondContact O-N 2.92Å; K197-A200 VanDerWaalsContact O-CB 3.29Å; K197-A200 WeakPolarHBondContact O-CB 3.46Å; K197-A200 PolarHBondContact O-N 3.37Å; K197-A200 VanDerWaalsContact O-N 3.08Å; K197-I203 HydrophobicContact CG-CD1 4.25Å
198K98.4Very high97.4Very high152 Ų15256.1 Ų56.166%0.66128%0.277SS*.G310 helixtrans-63.4-17.6176.675.9-167.3174.7-178.20114.3P195 T196P195-K198 VanDerWaalsContact O-CD 3.32Å; P195-K198 WeakPolarHBondContact O-CD 3.42Å; P195-K198 WeakPolarHBondContact O-CE 3.33Å; P195-K198 VanDerWaalsContact O-CG 3.26Å; P195-K198 WeakPolarHBondContact O-CG 3.31Å; T196-K198 PolarHBondContact O-N 3.44Å; T196-K198 VanDerWaalsContact O-N 3.15Å
199Y98.7Very high97.1Very high82 Ų8261 Ų6132%0.32230%0.303SS..G310 helixtrans-89.9-5.8177.1-57.5-61.2000113R143 K149 T196 K197R143-Y199 VanDerWaalsContact CD-CG 3.49Å; R143-Y199 VanDerWaalsContact NH1-CZ 3.29Å; K149-Y199 WeakPolarHBondContact CD-O 3.43Å; T196-Y199 WeakPolarHBondContact O-CB 3.39Å; T196-Y199 WeakPolarHBondContact O-CD2 3.33Å; T196-Y199 PolarHBondContact O-N 2.94Å; K197-Y199 PolarHBondContact O-N 2.92Å
200A98.6Very high96.9Very high21 Ų2161 Ų6117%0.17430%0.304CS..  trans-72135.7179.400000110.6F151 K197 I203F151-A200 HydrophobicContact CB-CB 3.59Å; K197-A200 VanDerWaalsContact O-CB 3.29Å; K197-A200 WeakPolarHBondContact O-CB 3.46Å; K197-A200 PolarHBondContact O-N 3.37Å; K197-A200 VanDerWaalsContact O-N 3.08Å; A200-I203 HydrophobicContact CB-CG1 4.41Å
201D98.4Very high96.8Very high100 Ų10060 Ų6054%0.53530%0.3SS..SBendtrans-76.7-34.7170.5-54.1-55.6000110K149K149-D201 WeakPolarHBondContact CB-OD2 3.18Å; K149-D201 PolarHBondContact N-OD2 3.31Å; K149-D201 PolarHBondContact O-N 3.25Å
202V98.3Very high96.8Very high57 Ų5759 Ų5935%0.34530%0.302SS..EExtended strand (participates in β ladder)trans-137.1133.4-179.8-176.90000110.7M148 K149 L150 F151 I204M148-V202 HydrophobicContact CE-CG2 4.1Å; K149-V202 PolarHBondContact O-N 2.92Å; L150-V202 WeakPolarHBondContact CA-O 3.32Å; L150-V202 HydrophobicContact CD2-CB 3.78Å; L150-V202 HydrophobicContact CD2-CG1 4.45Å; L150-V202 HydrophobicContact CD2-CG2 4.32Å; F151-V202 PolarHBondContact N-O 3.43Å; V202-I204 HydrophobicContact CG1-CG1 4.46Å
203I98.5Very high96.7Very high84 Ų8459 Ų5943%0.43131%0.305SS..EExtended strand (participates in β ladder)trans-101.6127.4172.6-63.7167.8000109.1F151 D153 K197 A200 P205F151-I203 CarbonylContact O-C 3.6Å; F151-I203 WeakPolarHBondContact O-CA 3.35Å; D153-I203 HydrophobicContact CB-CG2 3.6Å; K197-I203 HydrophobicContact CG-CD1 4.25Å; A200-I203 HydrophobicContact CB-CG1 4.41Å; I203-P205 WeakPolarHBondContact O-CD 3.49Å
204I98Very high96.7Very high1 Ų159 Ų591%0.00531%0.305CS..EExtended strand (participates in β ladder)trans-106.9101.7178.2-57.8177.3000108.5L150 F151 V152 D153 V202 N210 A213L150-I204 HydrophobicContact CB-CD1 4.39Å; L150-I204 HydrophobicContact CD1-CD1 4.19Å; F151-I204 PolarHBondContact O-N 3.03Å; V152-I204 WeakPolarHBondContact CA-O 3.42Å; V152-I204 HydrophobicContact CG2-CB 4.47Å; D153-I204 PolarHBondContact N-O 3.48Å; V202-I204 HydrophobicContact CG1-CG1 4.46Å; I204-N210 HydrophobicContact CG2-CB 4.38Å; I204-A213 HydrophobicContact CG1-CB 4.37Å; I204-A213 HydrophobicContact CG2-CB 3.96Å
205P96.6Very high96.6Very high50 Ų5059.6 Ų59.633%0.32531%0.309SS..EExtended strand (participates in β ladder)trans-72.3154.3174.929.9-34.4000110.8D153 I203 G207 N210D153-P205 WeakPolarHBondContact O-CA 3.44Å; I203-P205 WeakPolarHBondContact O-CD 3.49Å; P205-G207 PolarHBondContact O-N 3.03Å; P205-N210 WeakPolarHBondContact CD-ND2 3.41Å; P205-N210 VanDerWaalsContact O-CB 3.26Å; P205-N210 WeakPolarHBondContact O-CB 3.42Å; P205-N210 PolarHBondContact O-ND2 3.43Å
206R91.1Very high96.5Very high146 Ų14662.4 Ų62.455%0.55132%0.32SS*.THydrogen-bonded Turntrans65.7-4173.8-56.2179-66.9-82.7-0.8116.5D153 V208 D209D153-R206 PolarHBondContact O-N 3.42Å; D153-R206 VanDerWaalsContact O-N 3.16Å; R206-V208 PolarHBondContact O-N 2.88Å; R206-D209 HydrophobicContact CB-CB 4.36Å
207G92.1Very high96.5Very high0 Ų062.7 Ų62.70%032%0.321CS..G310 helixtrans66.6-127.6178.200000112.5V33 P205 D209 N210V33-G207 VanDerWaalsContact CG2-C 3.47Å; P205-G207 PolarHBondContact O-N 3.03Å; G207-D209 PolarHBondContact O-N 3.35Å; G207-N210 PolarHBondContact O-N 2.92Å; G207-N210 VanDerWaalsContact O-N 3.16Å
208V90.6Very high96.5Very high43 Ų4360.8 Ų60.826%0.26131%0.313SS..G310 helixtrans-62.7-27.1-171.870.70000113.7T32 K36 R206 N210 I214T32-V208 HydrophobicContact CG2-CB 3.69Å; T32-V208 HydrophobicContact CG2-CG1 3.96Å; T32-V208 HydrophobicContact CG2-CG2 3.76Å; K36-V208 HydrophobicContact CB-CG2 4.24Å; K36-V208 HydrophobicContact CG-CG2 4.35Å; R206-V208 PolarHBondContact O-N 2.88Å; V208-N210 PolarHBondContact O-N 2.95Å; V208-I214 HydrophobicContact CG2-CD1 4.39Å; V208-I214 WeakPolarHBondContact O-CD1 3.46Å
209D92.6Very high96.4Very high106 Ų10658.1 Ų58.157%0.56730%0.303SS*.G310 helixtrans-68.5-17-179-56.3-41.5000112.2R162 R206 G207 M211R162-D209 IonicContact NH2-OD2 3.88Å; R206-D209 HydrophobicContact CB-CB 4.36Å; G207-D209 PolarHBondContact O-N 3.35Å; D209-M211 VanDerWaalsContact C-N 3.32Å; D209-M211 PolarHBondContact O-N 3.31Å; D209-M211 VanDerWaalsContact O-N 3.09Å
210N94.9Very high96.3Very high18 Ų1857 Ų5710%0.09630%0.301CS..  trans-87.969.5179.5-166.6-10000112I204 P205 G207 V208 V212 A213 I214I204-N210 HydrophobicContact CG2-CB 4.38Å; P205-N210 WeakPolarHBondContact CD-ND2 3.41Å; P205-N210 VanDerWaalsContact O-CB 3.26Å; P205-N210 WeakPolarHBondContact O-CB 3.42Å; P205-N210 PolarHBondContact O-ND2 3.43Å; G207-N210 PolarHBondContact O-N 2.92Å; G207-N210 VanDerWaalsContact O-N 3.16Å; V208-N210 PolarHBondContact O-N 2.95Å; N210-V212 PolarHBondContact O-N 2.97Å; N210-A213 HydrophobicContact CB-CB 4.31Å; N210-A213 PolarHBondContact O-N 3.48Å; N210-A213 VanDerWaalsContact O-N 3.16Å; N210-A213 PolarHBondContact OD1-N 3.49Å; N210-I214 WeakPolarHBondContact O-CG1 3.23Å; N210-I214 PolarHBondContact O-N 3.4Å; N210-I214 VanDerWaalsContact O-N 3.08Å
211M96.6Very high96.2Very high72 Ų7256 Ų5636%0.35529%0.293SS..Hα-helixtrans-59.6-28.7-180-68.6-57.5-56.400113.4K36 L40 D209 I214 N215K36-M211 HydrophobicContact CG-SD 4.44Å; L40-M211 HydrophobicContact CD1-CE 4.04Å; D209-M211 VanDerWaalsContact C-N 3.32Å; D209-M211 PolarHBondContact O-N 3.31Å; D209-M211 VanDerWaalsContact O-N 3.09Å; M211-I214 PolarHBondContact O-N 3.41Å; M211-I214 HydrophobicContact SD-CD1 4.11Å; M211-N215 VanDerWaalsContact O-CB 3.28Å; M211-N215 WeakPolarHBondContact O-CB 3.5Å; M211-N215 PolarHBondContact O-N 3.05Å; M211-N215 PolarHBondContact O-ND2 2.94Å
212V97.7Very high96Very high106 Ų10654.4 Ų54.464%0.64228%0.282SS*.Hα-helixtrans-63.5-50.8175.8178.30000110.4N210 I214 N215 L216N210-V212 PolarHBondContact O-N 2.97Å; V212-I214 VanDerWaalsContact C-N 3.34Å; V212-I214 PolarHBondContact O-N 3.49Å; V212-N215 PolarHBondContact O-N 3.35Å; V212-L216 HydrophobicContact CG1-CD1 4.47Å; V212-L216 WeakPolarHBondContact O-CG 3.4Å; V212-L216 PolarHBondContact O-N 3.16Å; V212-L216 VanDerWaalsContact O-N 3.09Å
213A96.6Very high95.9Very high16 Ų1654 Ų5413%0.13228%0.278CS..Hα-helixtrans-62.6-41.9177.200000111.8I204 N210 N215 L216 I217I204-A213 HydrophobicContact CG1-CB 4.37Å; I204-A213 HydrophobicContact CG2-CB 3.96Å; N210-A213 HydrophobicContact CB-CB 4.31Å; N210-A213 PolarHBondContact O-N 3.48Å; N210-A213 VanDerWaalsContact O-N 3.16Å; N210-A213 PolarHBondContact OD1-N 3.49Å; A213-N215 PolarHBondContact O-N 3.07Å; A213-L216 PolarHBondContact O-N 2.87Å; A213-I217 WeakPolarHBondContact O-CG1 3.42Å; A213-I217 PolarHBondContact O-N 3.26Å; A213-I217 VanDerWaalsContact O-N 3.15Å
214I97.4Very high95.6Very high0 Ų051.5 Ų51.50%027%0.265CS..Hα-helixtrans-60.6-47.5177.6-66.4170.4000110.8V33 K36 I37 L40 V208 N210 M211 V212 L216 I217 V218V33-I214 HydrophobicContact CG1-CG1 4.33Å; V33-I214 HydrophobicContact CG2-CD1 4.47Å; K36-I214 HydrophobicContact CB-CD1 4.39Å; K36-I214 HydrophobicContact CG-CD1 4.19Å; K36-I214 HydrophobicContact CG-CG2 4.22Å; I37-I214 HydrophobicContact CG1-CG2 4.05Å; L40-I214 HydrophobicContact CD1-CG2 3.67Å; V208-I214 HydrophobicContact CG2-CD1 4.39Å; V208-I214 WeakPolarHBondContact O-CD1 3.46Å; N210-I214 WeakPolarHBondContact O-CG1 3.23Å; N210-I214 PolarHBondContact O-N 3.4Å; N210-I214 VanDerWaalsContact O-N 3.08Å; M211-I214 PolarHBondContact O-N 3.41Å; M211-I214 HydrophobicContact SD-CD1 4.11Å; V212-I214 VanDerWaalsContact C-N 3.34Å; V212-I214 PolarHBondContact O-N 3.49Å; I214-L216 VanDerWaalsContact C-N 3.3Å; I214-L216 PolarHBondContact O-N 2.61Å; I214-I217 PolarHBondContact O-N 2.87Å; I214-I217 VanDerWaalsContact O-N 3.16Å; I214-V218 HydrophobicContact CG2-CG2 4.16Å; I214-V218 VanDerWaalsContact O-CG2 3.31Å; I214-V218 WeakPolarHBondContact O-CG2 3.36Å; I214-V218 PolarHBondContact O-N 3.48Å
215N97.4Very high95.3Very high83 Ų8353 Ų5344%0.44427%0.273SS..Hα-helixtrans-63-35.4-179.9-72.4-16.3000112.3M211 V212 A213 V218 Q219M211-N215 VanDerWaalsContact O-CB 3.28Å; M211-N215 WeakPolarHBondContact O-CB 3.5Å; M211-N215 PolarHBondContact O-N 3.05Å; M211-N215 PolarHBondContact O-ND2 2.94Å; V212-N215 PolarHBondContact O-N 3.35Å; A213-N215 PolarHBondContact O-N 3.07Å; N215-V218 PolarHBondContact O-N 2.63Å; N215-Q219 WeakPolarHBondContact O-CB 3.5Å; N215-Q219 PolarHBondContact O-N 3.24Å
216L97.6Very high95Very high119 Ų11955.9 Ų55.962%0.62329%0.285SS*.Hα-helixtrans-62.8-44.1173.7-70.5170.6000111.9V212 A213 I214 H220V212-L216 HydrophobicContact CG1-CD1 4.47Å; V212-L216 WeakPolarHBondContact O-CG 3.4Å; V212-L216 PolarHBondContact O-N 3.16Å; V212-L216 VanDerWaalsContact O-N 3.09Å; A213-L216 PolarHBondContact O-N 2.87Å; I214-L216 VanDerWaalsContact C-N 3.3Å; I214-L216 PolarHBondContact O-N 2.61Å; L216-H220 WeakPolarHBondContact O-CB 3.43Å; L216-H220 PolarHBondContact O-N 2.96Å
217I97.7Very high94.7Very high10 Ų1050.2 Ų50.25%0.05127%0.272CS..Hα-helixtrans-68-40.4176.6-59.4-57.6000111.1I37 M148 L150 A213 I214 H220 I221I37-I217 HydrophobicContact CD1-CB 4.36Å; I37-I217 HydrophobicContact CD1-CG2 3.79Å; M148-I217 HydrophobicContact CE-CD1 3.75Å; M148-I217 HydrophobicContact SD-CD1 4.05Å; L150-I217 HydrophobicContact CD1-CD1 4.11Å; L150-I217 HydrophobicContact CD1-CG1 4.18Å; L150-I217 HydrophobicContact CD1-CG2 4.26Å; L150-I217 HydrophobicContact CD2-CD1 3.87Å; A213-I217 WeakPolarHBondContact O-CG1 3.42Å; A213-I217 PolarHBondContact O-N 3.26Å; A213-I217 VanDerWaalsContact O-N 3.15Å; I214-I217 PolarHBondContact O-N 2.87Å; I214-I217 VanDerWaalsContact O-N 3.16Å; I217-H220 PolarHBondContact O-N 3.25Å; I217-I221 HydrophobicContact CG2-CD1 3.89Å; I217-I221 HydrophobicContact CG2-CG1 4.45Å; I217-I221 WeakPolarHBondContact O-CG1 3.41Å; I217-I221 PolarHBondContact O-N 3.29Å
218V97.8Very high93.8Very high10 Ų1053 Ų536%0.06129%0.288CS..Hα-helixtrans-59.5-48.2175.4167.30000110.8I37 L40 L41 I214 N215 H220 I221 Q222I37-V218 HydrophobicContact CB-CG2 4.3Å; I37-V218 HydrophobicContact CG1-CG2 4.13Å; I37-V218 HydrophobicContact CG2-CG2 4.14Å; L40-V218 HydrophobicContact CB-CG1 4.22Å; L40-V218 HydrophobicContact CB-CG2 3.97Å; L40-V218 HydrophobicContact CD1-CG2 3.95Å; L41-V218 HydrophobicContact CD2-CG1 3.83Å; L41-V218 HydrophobicContact CG-CG1 4.23Å; I214-V218 HydrophobicContact CG2-CG2 4.16Å; I214-V218 VanDerWaalsContact O-CG2 3.31Å; I214-V218 WeakPolarHBondContact O-CG2 3.36Å; I214-V218 PolarHBondContact O-N 3.48Å; N215-V218 PolarHBondContact O-N 2.63Å; V218-H220 VanDerWaalsContact C-N 3.35Å; V218-H220 PolarHBondContact O-N 3.26Å; V218-I221 PolarHBondContact O-N 3.28Å; V218-Q222 WeakPolarHBondContact O-CG 3.04Å; V218-Q222 PolarHBondContact O-N 3.1Å
219Q97Very high92.6Very high97 Ų9753.3 Ų53.345%0.45329%0.287SS..Hα-helixtrans-60.2-45.9177.2-175.861.753.100111.1N215 I221 Q222 D223N215-Q219 WeakPolarHBondContact O-CB 3.5Å; N215-Q219 PolarHBondContact O-N 3.24Å; Q219-I221 VanDerWaalsContact C-N 3.3Å; Q219-I221 PolarHBondContact O-N 3.29Å; Q219-Q222 WeakPolarHBondContact O-CB 3.37Å; Q219-Q222 PolarHBondContact O-N 2.9Å; Q219-Q222 VanDerWaalsContact O-N 3.1Å; Q219-D223 PolarHBondContact NE2-OD1 2.84Å; Q219-D223 PolarHBondContact O-N 3.42Å
220H96.3Very high90.7Very high58 Ų5851.5 Ų51.527%0.26928%0.282SS..Hα-helixtrans-59.3-41.8177.7-174.361000112.4F18 L216 I217 V218 D223 I224 I229F18-H220 AromaticContact CZ-NE2 3.96Å; L216-H220 WeakPolarHBondContact O-CB 3.43Å; L216-H220 PolarHBondContact O-N 2.96Å; I217-H220 PolarHBondContact O-N 3.25Å; V218-H220 VanDerWaalsContact C-N 3.35Å; V218-H220 PolarHBondContact O-N 3.26Å; H220-D223 PolarHBondContact O-N 3.41Å; H220-I224 WeakPolarHBondContact O-CG1 3.28Å; H220-I224 PolarHBondContact O-N 2.93Å; H220-I224 VanDerWaalsContact O-N 3.13Å; H220-I229 VanDerWaalsContact CE1-CD1 3.41Å; H220-I229 WeakPolarHBondContact CE1-CD1 3.49Å
221I96.2Very high88.2Confident0 Ų056.8 Ų56.80%030%0.304CS..Hα-helixtrans-64.5-42.9174.7-68.7168000110.7I20 I37 L41 V53 V128 L130 I217 V218 Q219 D223 I224 L225I20-I221 HydrophobicContact CD1-CD1 4.06Å; I20-I221 HydrophobicContact CD1-CG1 4.03Å; I37-I221 HydrophobicContact CG2-CD1 3.65Å; L41-I221 HydrophobicContact CD1-CB 4.17Å; L41-I221 HydrophobicContact CD1-CD1 4.23Å; L41-I221 HydrophobicContact CD1-CG2 3.53Å; L41-I221 HydrophobicContact CD2-CG2 4.15Å; V53-I221 HydrophobicContact CG2-CG2 4.07Å; V128-I221 HydrophobicContact CB-CG2 4.49Å; V128-I221 HydrophobicContact CG1-CD1 4.39Å; V128-I221 HydrophobicContact CG1-CG1 4.29Å; V128-I221 HydrophobicContact CG2-CG2 4.04Å; L130-I221 HydrophobicContact CD2-CD1 4.3Å; I217-I221 HydrophobicContact CG2-CD1 3.89Å; I217-I221 HydrophobicContact CG2-CG1 4.45Å; I217-I221 WeakPolarHBondContact O-CG1 3.41Å; I217-I221 PolarHBondContact O-N 3.29Å; V218-I221 PolarHBondContact O-N 3.28Å; Q219-I221 VanDerWaalsContact C-N 3.3Å; Q219-I221 PolarHBondContact O-N 3.29Å; I221-D223 VanDerWaalsContact C-N 3.29Å; I221-D223 PolarHBondContact O-N 2.98Å; I221-I224 WeakPolarHBondContact O-CB 3.39Å; I221-I224 PolarHBondContact O-N 3.22Å; I221-I224 VanDerWaalsContact O-N 3.12Å; I221-L225 HydrophobicContact CG2-CD1 4.11Å; I221-L225 HydrophobicContact CG2-CG 4.17Å; I221-L225 VanDerWaalsContact O-CG 3.3Å; I221-L225 WeakPolarHBondContact O-CG 3.17Å; I221-L225 PolarHBondContact O-N 2.81Å
222Q95.8Very high85.3Confident66 Ų6663.7 Ų63.731%0.30833%0.326SS..Hα-helixtrans-58.4-42175.8-72.4173.5-21.800112L41 V218 Q219 I224 L225 N226L41-Q222 HydrophobicContact CD2-CG 3.5Å; L41-Q222 VanDerWaalsContact CD2-CG 3.5Å; V218-Q222 WeakPolarHBondContact O-CG 3.04Å; V218-Q222 PolarHBondContact O-N 3.1Å; Q219-Q222 WeakPolarHBondContact O-CB 3.37Å; Q219-Q222 PolarHBondContact O-N 2.9Å; Q219-Q222 VanDerWaalsContact O-N 3.1Å; Q222-I224 VanDerWaalsContact C-N 3.29Å; Q222-I224 PolarHBondContact O-N 3.01Å; Q222-L225 PolarHBondContact O-N 2.89Å; Q222-L225 VanDerWaalsContact O-N 3.17Å; Q222-N226 WeakPolarHBondContact O-CB 3.47Å; Q222-N226 PolarHBondContact O-N 3.32Å; Q222-N226 PolarHBondContact O-ND2 3.21Å
223D94.7Very high82.6Confident48 Ų4865 Ų6526%0.25733%0.326SS..Hα-helixtrans-63-35.7176.9-59.4-18.4000111.8Q219 H220 I221 G227 D228 I229Q219-D223 PolarHBondContact NE2-OD1 2.84Å; Q219-D223 PolarHBondContact O-N 3.42Å; H220-D223 PolarHBondContact O-N 3.41Å; I221-D223 VanDerWaalsContact C-N 3.29Å; I221-D223 PolarHBondContact O-N 2.98Å; D223-G227 PolarHBondContact O-N 3.26Å; D223-D228 PolarHBondContact O-N 3.44Å; D223-I229 HydrophobicContact CB-CD1 4.17Å; D223-I229 HydrophobicContact CB-CG1 3.94Å
224I92.8Very high79.9Confident32 Ų3272.4 Ų72.416%0.16435%0.35CS..Hα-helixtrans-63.8-50.9171.8-65.6164.7000110F18 V128 H220 I221 Q222 N226 G227 I229F18-I224 HydrophobicContact CB-CD1 4.14Å; F18-I224 HydrophobicContact CB-CG2 4.26Å; F18-I224 HydrophobicContact CD1-CD1 3.55Å; F18-I224 HydrophobicContact CD2-CD1 4.03Å; F18-I224 HydrophobicContact CE1-CD1 3.83Å; F18-I224 HydrophobicContact CE2-CD1 4.29Å; F18-I224 HydrophobicContact CG-CD1 3.64Å; F18-I224 HydrophobicContact CZ-CD1 4.19Å; V128-I224 HydrophobicContact CG2-CB 4.48Å; V128-I224 HydrophobicContact CG2-CG2 3.96Å; H220-I224 WeakPolarHBondContact O-CG1 3.28Å; H220-I224 PolarHBondContact O-N 2.93Å; H220-I224 VanDerWaalsContact O-N 3.13Å; I221-I224 WeakPolarHBondContact O-CB 3.39Å; I221-I224 PolarHBondContact O-N 3.22Å; I221-I224 VanDerWaalsContact O-N 3.12Å; Q222-I224 VanDerWaalsContact C-N 3.29Å; Q222-I224 PolarHBondContact O-N 3.01Å; I224-N226 VanDerWaalsContact C-N 3.26Å; I224-N226 PolarHBondContact O-N 3.42Å; I224-G227 PolarHBondContact O-N 3.1Å; I224-I229 HydrophobicContact CD1-CD1 4.38Å; I224-I229 HydrophobicContact CG1-CD1 3.47Å; I224-I229 VanDerWaalsContact CG1-CD1 3.47Å; I224-I229 HydrophobicContact CG1-CG1 4.37Å
225L92Very high77.1Confident33 Ų3374.5 Ų74.517%0.17337%0.372CS..Hα-helixtrans-63.7-31.1-177.4-64.1-176.4000113K52 V53 D127 V128 I221 Q222 G227K52-L225 HydrophobicContact CB-CD1 4.47Å; K52-L225 HydrophobicContact CB-CD2 3.88Å; K52-L225 HydrophobicContact CD-CD2 4.25Å; V53-L225 HydrophobicContact CG2-CD1 4.15Å; V53-L225 HydrophobicContact CG2-CD2 4.47Å; D127-L225 HydrophobicContact CB-CD2 3.35Å; V128-L225 HydrophobicContact CG2-CD2 4.16Å; I221-L225 HydrophobicContact CG2-CD1 4.11Å; I221-L225 HydrophobicContact CG2-CG 4.17Å; I221-L225 VanDerWaalsContact O-CG 3.3Å; I221-L225 WeakPolarHBondContact O-CG 3.17Å; I221-L225 PolarHBondContact O-N 2.81Å; Q222-L225 PolarHBondContact O-N 2.89Å; Q222-L225 VanDerWaalsContact O-N 3.17Å; L225-G227 VanDerWaalsContact C-N 3.3Å
226N91.1Very high74.2Confident110 Ų11074.7 Ų74.759%0.58837%0.373SS*.THydrogen-bonded Turntrans-82.2-9.4176.4-66.2-21.1000112.8Q222 I224 D228Q222-N226 WeakPolarHBondContact O-CB 3.47Å; Q222-N226 PolarHBondContact O-N 3.32Å; Q222-N226 PolarHBondContact O-ND2 3.21Å; I224-N226 VanDerWaalsContact C-N 3.26Å; I224-N226 PolarHBondContact O-N 3.42Å; N226-D228 VanDerWaalsContact C-N 3.3Å; N226-D228 VanDerWaalsContact CB-OD2 3.29Å; N226-D228 WeakPolarHBondContact CB-OD2 3.48Å
227G83.8Confident71.5Confident27 Ų2775.3 Ų75.328%0.27838%0.375SS..THydrogen-bonded Turntrans74.118-17800000114D223 I224 L225 C230D223-G227 PolarHBondContact O-N 3.26Å; I224-G227 PolarHBondContact O-N 3.1Å; L225-G227 VanDerWaalsContact C-N 3.3Å; G227-C230 PolarHBondContact O-N 2.84Å
228D74.2Confident68.6Low60 Ų6081.7 Ų81.732%0.32141%0.41SS..  trans-74.7-29.1-175.8-68.9-38.9000112.2D223 N226 K231 W232D223-D228 PolarHBondContact O-N 3.44Å; N226-D228 VanDerWaalsContact C-N 3.3Å; N226-D228 VanDerWaalsContact CB-OD2 3.29Å; N226-D228 WeakPolarHBondContact CB-OD2 3.48Å; D228-K231 WeakPolarHBondContact O-CB 3.34Å; D228-K231 PolarHBondContact O-N 2.83Å; D228-K231 IonicContact OD1-NZ 2.88Å; D228-K231 PolarHBondContact OD1-NZ 3.32Å; D228-W232 PolarHBondContact O-N 3.2Å
229I64.1Low65.8Low49 Ų4984.7 Ų84.725%0.25143%0.431SS..Hα-helixtrans-69.3-36175.6-55.1-168.1000111.7H220 D223 I224 K231 W232 Q233H220-I229 VanDerWaalsContact CE1-CD1 3.41Å; H220-I229 WeakPolarHBondContact CE1-CD1 3.49Å; D223-I229 HydrophobicContact CB-CD1 4.17Å; D223-I229 HydrophobicContact CB-CG1 3.94Å; I224-I229 HydrophobicContact CD1-CD1 4.38Å; I224-I229 HydrophobicContact CG1-CD1 3.47Å; I224-I229 VanDerWaalsContact CG1-CD1 3.47Å; I224-I229 HydrophobicContact CG1-CG1 4.37Å; I229-K231 PolarHBondContact O-N 3.22Å; I229-W232 PolarHBondContact O-N 3.44Å; I229-W232 VanDerWaalsContact O-N 3.16Å; I229-Q233 PolarHBondContact O-N 3.37Å
230C53.5Low62.9Low67 Ų6787.6 Ų87.645%0.45344%0.444SS..Hα-helixtrans-66.7-19.4175-72.80000113.2G227 R234G227-C230 PolarHBondContact O-N 2.84Å; C230-R234 PolarHBondContact O-NE 2.87Å
231K42.6Very low59.8Low130 Ų13088.2 Ų88.257%0.56547%0.466SS*.Hα-helixtrans-80.6-39172.4-61.8172.2-169.5155.60111D228 I229 R234 G235D228-K231 WeakPolarHBondContact O-CB 3.34Å; D228-K231 PolarHBondContact O-N 2.83Å; D228-K231 IonicContact OD1-NZ 2.88Å; D228-K231 PolarHBondContact OD1-NZ 3.32Å; I229-K231 PolarHBondContact O-N 3.22Å; K231-R234 PolarHBondContact O-N 3.04Å; K231-G235 PolarHBondContact O-N 2.82Å
232W35.2Very low56.6Low216 Ų21699.6 Ų99.682%0.81851%0.509SS*.Hα-helixtrans-67.1-43.4-179.2-120.172000113D228 I229 R234 G235 N236D228-W232 PolarHBondContact O-N 3.2Å; I229-W232 PolarHBondContact O-N 3.44Å; I229-W232 VanDerWaalsContact O-N 3.16Å; W232-R234 VanDerWaalsContact C-N 3.34Å; W232-R234 PolarHBondContact O-N 2.81Å; W232-G235 PolarHBondContact O-N 2.94Å; W232-N236 PolarHBondContact O-N 3Å; W232-N236 VanDerWaalsContact O-N 3.13Å
233Q40.5Very low53.4Low135 Ų135101 Ų10163%0.63153%0.533SS*.Hα-helixtrans-66.3-34.3175.4-73.2-176.6-26.700112.7I229 I237I229-Q233 PolarHBondContact O-N 3.37Å; Q233-I237 WeakPolarHBondContact O-CG1 3.44Å; Q233-I237 PolarHBondContact O-N 3.43Å
234R40.4Very low50.2Low170 Ų170104.3 Ų104.364%0.64256%0.558SS**Hα-helixtrans-71-35.9173.7-84.2-174.9-91.1-166.8-9.2113.2C230 K231 W232 N236 N238C230-R234 PolarHBondContact O-NE 2.87Å; K231-R234 PolarHBondContact O-N 3.04Å; W232-R234 VanDerWaalsContact C-N 3.34Å; W232-R234 PolarHBondContact O-N 2.81Å; R234-N236 VanDerWaalsContact C-N 3.34Å; R234-N238 PolarHBondContact O-N 2.76Å
235G37.9Very low47.2Very low44 Ų44111.8 Ų111.845%0.45459%0.589SS.*Hα-helixtrans-64.7-36.3174.300000113K231 W232 N238 S239K231-G235 PolarHBondContact O-N 2.82Å; W232-G235 PolarHBondContact O-N 2.94Å; G235-N238 PolarHBondContact O-N 3.02Å; G235-S239 PolarHBondContact O-N 3.48Å; G235-S239 PolarHBondContact O-OG 3.08Å
236N37.1Very low44.1Very low88 Ų88121.2 Ų121.247%0.47162%0.622SS.*Hα-helixtrans-72.1-37.3-179.7-145.610.6000112.1W232 R234 N238 S239 H240W232-N236 PolarHBondContact O-N 3Å; W232-N236 VanDerWaalsContact O-N 3.13Å; R234-N236 VanDerWaalsContact C-N 3.34Å; N236-N238 PolarHBondContact O-N 3.13Å; N236-S239 PolarHBondContact O-N 3.3Å; N236-S239 PolarHBondContact O-OG 3.4Å; N236-H240 PolarHBondContact O-N 3.21Å
237I40.4Very low41Very low131 Ų131123.7 Ų123.767%0.67264%0.635SS**Hα-helixtrans-64.6-37.7175-66.1167.3000111.6Q233 S239Q233-I237 WeakPolarHBondContact O-CG1 3.44Å; Q233-I237 PolarHBondContact O-N 3.43Å; I237-S239 VanDerWaalsContact C-N 3.28Å; I237-S239 PolarHBondContact O-N 3.24Å
238N37.4Very low38.3Very low145 Ų145130 Ų13078%0.77566%0.661SS**Hα-helixtrans-76.6-11177.7-77.5-4.8000114.2R234 G235 N236R234-N238 PolarHBondContact O-N 2.76Å; G235-N238 PolarHBondContact O-N 3.02Å; N236-N238 PolarHBondContact O-N 3.13Å
239S38.8Very low36.1Very low73 Ų73132.2 Ų132.251%0.5168%0.681SS.*Hα-helixtrans-100.2-9.1179.270.10000114.7G235 N236 I237 G241G235-S239 PolarHBondContact O-N 3.48Å; G235-S239 PolarHBondContact O-OG 3.08Å; N236-S239 PolarHBondContact O-N 3.3Å; N236-S239 PolarHBondContact O-OG 3.4Å; I237-S239 VanDerWaalsContact C-N 3.28Å; I237-S239 PolarHBondContact O-N 3.24Å; S239-G241 VanDerWaalsContact C-N 3.3Å; S239-G241 PolarHBondContact O-N 2.96Å
240H35.5Very low34.4Very low157 Ų157138.7 Ų138.773%0.72771%0.71SS**  trans-94.149178.7-80.430.2000112.6N236N236-H240 PolarHBondContact O-N 3.21Å
241G31.8Very low33.2Very low71 Ų71144.5 Ų144.573%0.73273%0.731SS**  trans-114.111.9173.400000114.7S239S239-G241 VanDerWaalsContact C-N 3.3Å; S239-G241 PolarHBondContact O-N 2.96Å
242R29.8Very low32.4Very low239 Ų239143.4 Ų143.490%0.90274%0.739SS**  trans-130.991.8170.6-77.6-174.3176.4176.9-0.5110.3C244R242-C244 PolarHBondContact O-N 3.38Å; R242-C244 VanDerWaalsContact O-N 3.11Å
243A28.6Very low32Very low97 Ų97140.7 Ų140.780%0.80274%0.741SS**  trans-57.8109.5169.200000110.1K245A243-K245 VanDerWaalsContact C-N 3.32Å; A243-K245 PolarHBondContact O-N 2.85Å; A243-K245 VanDerWaalsContact O-N 3.13Å
244C27Very low31.5Very low117 Ų117141 Ų14179%0.79175%0.746SS**  trans-80.785.9164.5-163.90000107.8R242 R246R242-C244 PolarHBondContact O-N 3.38Å; R242-C244 VanDerWaalsContact O-N 3.11Å; C244-R246 PolarHBondContact O-N 3.13Å; C244-R246 VanDerWaalsContact O-N 3.11Å
245K28.8Very low30.9Very low189 Ų189140.5 Ų140.582%0.82275%0.751SS**  trans-65.4102.8163.7-85.9179.9173.9177.90107.6A243 L247A243-K245 VanDerWaalsContact C-N 3.32Å; A243-K245 PolarHBondContact O-N 2.85Å; A243-K245 VanDerWaalsContact O-N 3.13Å; K245-L247 PolarHBondContact O-N 3.31Å
246R27.2Very low30.5Very low230 Ų230146 Ų14687%0.86877%0.77SS**  trans-75.1104.6158.9-82.3-177.2178.5167.2-0.3107.7C244 I248C244-R246 PolarHBondContact O-N 3.13Å; C244-R246 VanDerWaalsContact O-N 3.11Å; R246-I248 PolarHBondContact O-N 3.22Å
247L26.6Very low30Very low162 Ų162145 Ų14585%0.84878%0.78SS**  trans-68.3118.5162.6-89.8148.6000107.9K245K245-L247 PolarHBondContact O-N 3.31Å
248I27.5Very low29.4Very low161 Ų161144 Ų14483%0.82679%0.785SS**  trans-85.9109.9160.1-65.4171.9000104.9R246R246-I248 PolarHBondContact O-N 3.22Å
249S27.4Very low29.1Very low105 Ų105143.3 Ų143.373%0.73479%0.786SS**  trans-95.7117.2165.1640000108.6
250E28.8Very low28.7Very low186 Ų186147.8 Ų147.887%0.86980%0.804SS**  trans-62.2129.9161-67.7177.2135.400109.3
251Q27.3Very low28.9Very low189 Ų189145.9 Ų145.988%0.88381%0.806SS**  trans-146.4112.7150.2-104-178.9-1.800108.8
252S25.6Very low29.2Very low106 Ų106148.3 Ų148.374%0.74181%0.809SS**  trans-66.1135.9162.450.30000110.3
253D27.8Very low29.3Very low160 Ų160144.4 Ų144.486%0.85680%0.804SS**  trans-157.1152.9146.3-97.6-29.8000111.7
254L28.7Very low29.6Very low141 Ų141149 Ų14974%0.73881%0.806SS**  trans-83.7153.1-152.8-76.5139.4000116
255Q28.6Very low29.8Very low159 Ų159155.4 Ų155.474%0.74381%0.813SS**  trans56.4116.8142.4-691784.800120.9
256N29.1Very low30.1Very low161 Ų161152.4 Ų152.486%0.86181%0.81SS**  176.7132.9101.1-99.3-24.5000114.1
257G26.6Very low30.3Very low66 Ų66148.8 Ų148.868%0.6881%0.808SS**  82.487.9123.900000122.4
258S28.5Very low30.8Very low110 Ų110148.9 Ų148.977%0.76981%0.808SS**  89.2127.4126.188.10000123
259T30.5Very low31.6Very low131 Ų131149.3 Ų149.380%0.80481%0.807SS**  trans84103.5142.2660000120.8
260N31.5Very low31.9Very low167 Ų167150 Ų15089%0.89381%0.809SS**  trans-103.1149.9153.1-90.2-19.9000109.5
261P40.1Very low32.5Very low117 Ų117146.8 Ų146.876%0.7681%0.807SS**  trans-114.5150.2147.134.5-23.7000112
262P36.6Very low33.2Very low122 Ų122143.1 Ų143.179%0.79280%0.802SS**  trans-104.6135.5-17236.3-27000112.3
263I33.5Very low33.7Very low157 Ų157149.5 Ų149.581%0.80581%0.81SS**  trans-139.5106.9164.9-60.7-175.2000112.6
264K34.3Very low34.3Very low192 Ų192147 Ų14784%0.83580%0.802SS**  trans55.7114.1138.9-62.1-178.5178.7-179.30121.5
265R30.7Very low34.9Very low252 Ų252152.7 Ų152.795%0.95183%0.825SS**PPolyproline II helixtrans-61.6133.7152.4-78.2176.7175.6165-1.5110.4
266V35Very low35.3Very low126 Ų126152.4 Ų152.476%0.76483%0.829SS**PPolyproline II helixtrans-101.7118.3164.3177.20000107.9
267L31.8Very low35.6Very low155 Ų155151.9 Ų151.981%0.81283%0.827SS**PPolyproline II helixtrans-79.5125.2170-149.288.6000107.1
268L37.8Very low36.1Very low163 Ų163156.7 Ų156.785%0.85384%0.835SS**  trans-107.4115.3169.9-77.6167.5000108.3
269E43Very low36.5Very low170 Ų170159.4 Ų159.479%0.79484%0.839SS**  trans-79.8160.7171.5-78.7-154.6158.200112.2
270P33.3Very low36.9Very low120 Ų120161.2 Ų161.278%0.77984%0.841SS**  trans-81.9134.2-171.19.26.7000112.9S272P270-S272 PolarHBondContact O-N 3.5Å
271S41.9Very low37.3Very low119 Ų119160.8 Ų160.883%0.83284%0.838SS**  trans-75.8109.4174.2160.70000111.6
272S41.3Very low37.1Very low112 Ų112163.9 Ų163.978%0.78384%0.843SS**  trans-90.4121.8162.140.30000110.3P270P270-S272 PolarHBondContact O-N 3.5Å
273R36Very low37.1Very low239 Ų239167.2 Ų167.290%0.90285%0.847SS**  trans-142.1133.9156-81.2-164-178.6-167.50.5111.7
274P41.2Very low37.4Very low107 Ų107168 Ų16870%0.69585%0.851SS**  trans-92144.8175.635.8-30.7000111.9
275H42.5Very low37.7Very low261 Ų261165.8 Ų165.8100%1.20885%0.852SS**  179.10125.1-87.6-54.1000109.3

Retrieved 275 of 275 residues in 227.1 ms (Link to these results)

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