A0A096N9E2_PAPAN Loading...

Immunoglobulin like domain containing receptor 1

AlphaFold DB , UniProt , Accession A0A096N9E2, Species PAPAN (Papio anubis, Olive baboon), Gene ILDR1, Length 546 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M37.8Very low54.4Low248 Ų248138 Ų138100%1.22272%0.72SS**  01250-68.1160.1177.500107.5
2A39.3Very low54.6Low99 Ų99135.1 Ų135.182%0.81871%0.705SS**  trans-104.1129-17700000110.3
3W45.4Very low54.7Low244 Ų244133.5 Ų133.592%0.92470%0.697SS**  trans-72132.7167.7-77.774.7000109.2K5W3-K5 PolarHBondContact O-N 2.71Å
4P54.3Low54.7Low108 Ų108130.1 Ų130.170%0.70169%0.689SS**  trans-66.7128.917627.7-33.2000109.8L6P4-L6 PolarHBondContact O-N 2.86Å
5K58.6Low54.8Low208 Ų208128.4 Ų128.490%0.90469%0.686SS**  trans-71.193.5173.7-69.3-178.3178.7179.10109.2W3W3-K5 PolarHBondContact O-N 2.71Å
6L59.9Low54.6Low123 Ų123134 Ų13464%0.64469%0.694SS**  trans-56.7136.8172.8-72.4169.7000110P4 A8P4-L6 PolarHBondContact O-N 2.86Å; L6-A8 PolarHBondContact O-N 3.2Å
7P63.6Low54.5Low69 Ų69133.2 Ų133.245%0.44869%0.691SS.*  trans-69.9135.3-176-12.226.1000110.9P9 W10P7-P9 VanDerWaalsContact C-N 3.33Å; P7-P9 HydrophobicContact CB-CG 4.25Å; P7-P9 VanDerWaalsContact O-N 3.09Å; P7-W10 WeakPolarHBondContact O-CB 3.4Å; P7-W10 PolarHBondContact O-N 3.12Å
8A62.2Low54.5Low66 Ų66132.4 Ų132.455%0.54570%0.695SS.*Hα-helixtrans-43.3-41.2179.500000116.5L6 W10 L11 L12L6-A8 PolarHBondContact O-N 3.2Å; A8-W10 PolarHBondContact O-N 2.8Å; A8-L11 PolarHBondContact O-N 3.04Å; A8-L11 VanDerWaalsContact O-N 3.12Å; A8-L12 PolarHBondContact O-N 3.4Å
9P59.7Low54.7Low86 Ų86131.1 Ų131.156%0.55871%0.705SS**Hα-helixtrans-60.8-25.5176.321.5-34.2000114.7P7 L13P7-P9 VanDerWaalsContact C-N 3.33Å; P7-P9 HydrophobicContact CB-CG 4.25Å; P7-P9 VanDerWaalsContact O-N 3.09Å; P9-L13 WeakPolarHBondContact O-CB 3.32Å; P9-L13 PolarHBondContact O-N 3.37Å
10W59.3Low54.7Low166 Ų166127.5 Ų127.563%0.62970%0.701SS**Hα-helixtrans-75.7-33.6175.2-67.478.1000112P7 A8 L12 L13 C14P7-W10 WeakPolarHBondContact O-CB 3.4Å; P7-W10 PolarHBondContact O-N 3.12Å; A8-W10 PolarHBondContact O-N 2.8Å; W10-L12 VanDerWaalsContact C-N 3.34Å; W10-L13 PolarHBondContact O-N 3.09Å; W10-C14 WeakPolarHBondContact O-CB 3.48Å; W10-C14 PolarHBondContact O-N 2.97Å; W10-C14 PolarHBondContact O-SG 3.47Å
11L57.8Low54.9Low101 Ų101127.1 Ų127.153%0.52971%0.706SS.*Hα-helixtrans-68.7-34.9171.9-68.7167.7000111.4A8 T15A8-L11 PolarHBondContact O-N 3.04Å; A8-L11 VanDerWaalsContact O-N 3.12Å; L11-T15 WeakPolarHBondContact O-CG2 3.45Å; L11-T15 PolarHBondContact O-N 3.09Å; L11-T15 VanDerWaalsContact O-N 3.09Å; L11-T15 PolarHBondContact O-OG1 2.95Å
12L57.5Low56.2Low103 Ų103119.2 Ų119.254%0.53967%0.668SS.*Hα-helixtrans-65.8-43.9170.3-76.3163.2000111.5A8 W10 C14 T15 W16A8-L12 PolarHBondContact O-N 3.4Å; W10-L12 VanDerWaalsContact C-N 3.34Å; L12-C14 PolarHBondContact O-N 3.18Å; L12-T15 WeakPolarHBondContact CA-OG1 3.36Å; L12-T15 PolarHBondContact O-N 3.14Å; L12-T15 PolarHBondContact O-OG1 3.39Å; L12-T15 VanDerWaalsContact O-OG1 3.04Å; L12-W16 WeakPolarHBondContact O-CB 3.49Å; L12-W16 PolarHBondContact O-N 3.45Å; L12-W16 VanDerWaalsContact O-N 3.09Å
13L55.9Low58Low114 Ų114117.6 Ų117.660%0.59765%0.65SS**Hα-helixtrans-63-42.5176.8-158.172.9000112P9 W10 T15 W16 L17P9-L13 WeakPolarHBondContact O-CB 3.32Å; P9-L13 PolarHBondContact O-N 3.37Å; W10-L13 PolarHBondContact O-N 3.09Å; L13-T15 VanDerWaalsContact C-N 3.28Å; L13-T15 PolarHBondContact O-N 3.38Å; L13-W16 PolarHBondContact O-N 3.09Å; L13-W16 VanDerWaalsContact O-N 3.1Å; L13-L17 PolarHBondContact O-N 3.22Å
14C54.3Low60Low86 Ų86106.2 Ų106.258%0.58161%0.608SS**Hα-helixtrans-67.2-22.5175.4-70.20000114.3W10 L12W10-C14 WeakPolarHBondContact O-CB 3.48Å; W10-C14 PolarHBondContact O-N 2.97Å; W10-C14 PolarHBondContact O-SG 3.47Å; L12-C14 PolarHBondContact O-N 3.18Å
15T56.8Low61.5Low105 Ų105105.1 Ų105.164%0.64460%0.596SS**Hα-helixtrans-91.9-2.3172.746.80000113.2L11 L12 L13L11-T15 WeakPolarHBondContact O-CG2 3.45Å; L11-T15 PolarHBondContact O-N 3.09Å; L11-T15 VanDerWaalsContact O-N 3.09Å; L11-T15 PolarHBondContact O-OG1 2.95Å; L12-T15 WeakPolarHBondContact CA-OG1 3.36Å; L12-T15 PolarHBondContact O-N 3.14Å; L12-T15 PolarHBondContact O-OG1 3.39Å; L12-T15 VanDerWaalsContact O-OG1 3.04Å; L13-T15 VanDerWaalsContact C-N 3.28Å; L13-T15 PolarHBondContact O-N 3.38Å
16W50.3Low63Low218 Ų21895.3 Ų95.383%0.82655%0.553SS**Hα-helixtrans-108.2-3.4175.4-7945.1000113.2L12 L13L12-W16 WeakPolarHBondContact O-CB 3.49Å; L12-W16 PolarHBondContact O-N 3.45Å; L12-W16 VanDerWaalsContact O-N 3.09Å; L13-W16 PolarHBondContact O-N 3.09Å; L13-W16 VanDerWaalsContact O-N 3.1Å
17L53.7Low64.5Low120 Ų12092.4 Ų92.463%0.62854%0.54SS*.SBendtrans-65.6128.1158.4-86.4128.6000108.7L13 A19L13-L17 PolarHBondContact O-N 3.22Å; L17-A19 PolarHBondContact O-N 3.12Å
18P54.7Low65.9Low120 Ų12090.7 Ų90.778%0.77953%0.529SS*.PPolyproline II helixtrans-61.5127.5175.225.9-33.1000109.4G20P18-G20 PolarHBondContact O-N 3.05Å
19A57.3Low67.1Low106 Ų10692 Ų9288%0.87652%0.523SS*.SBendtrans-73.4123.2-174.500000111.1L17L17-A19 PolarHBondContact O-N 3.12Å
20G55.1Low68.6Low60 Ų6093.2 Ų93.262%0.61952%0.522SS*.SBendtrans94.2125176.600000113.5P18 L22P18-G20 PolarHBondContact O-N 3.05Å; G20-L22 PolarHBondContact O-N 3.48Å
21C59.5Low70Confident119 Ų11989.5 Ų89.580%0.80452%0.517SS*.  trans-66.6114.3155.8-61.70000107S23C21-S23 PolarHBondContact O-N 2.79Å
22L65.6Low71.7Confident83 Ų8388.3 Ų88.344%0.43551%0.509SS..  trans-70.2101.7177.2-64177.1000108.8G20 S50 D152 S154G20-L22 PolarHBondContact O-N 3.48Å; L22-S50 WeakPolarHBondContact CA-OG 3.41Å; L22-D152 WeakPolarHBondContact CB-OD1 3.27Å; L22-S154 WeakPolarHBondContact O-CB 3.49Å; L22-S154 PolarHBondContact O-OG 3.43Å
23S76.4Confident73.5Confident64 Ų6488.6 Ų88.645%0.44850%0.503SS..  trans-129.1116-170.265.80000111.8C21 S50 S154C21-S23 PolarHBondContact O-N 2.79Å; S23-S50 PolarHBondContact N-OG 3.21Å; S23-S154 WeakPolarHBondContact CA-O 3.48Å
24L86.6Confident75.3Confident6 Ų688.3 Ų88.33%0.03150%0.495CS..EExtended strand (participates in β ladder)trans-88.7129.3166-178.464.2000108.8V26 I147 A149 D152 S154 G155 P157L24-V26 HydrophobicContact CG-CG2 4.4Å; L24-I147 HydrophobicContact CD1-CB 4.39Å; L24-I147 HydrophobicContact CD1-CG2 3.82Å; L24-I147 HydrophobicContact CD2-CB 4.32Å; L24-I147 HydrophobicContact CD2-CG2 4.19Å; L24-I147 WeakPolarHBondContact CD2-O 3.49Å; L24-A149 HydrophobicContact CD1-CB 4.39Å; L24-D152 HydrophobicContact CB-CB 4.03Å; L24-S154 PolarHBondContact N-O 2.84Å; L24-G155 WeakPolarHBondContact O-CA 3.4Å; L24-P157 HydrophobicContact CD2-CB 3.81Å
25L87.6Confident77.2Confident85 Ų8584.8 Ų84.845%0.44547%0.471SS..EExtended strand (participates in β ladder)trans-131.4123169.9177.366.3000109.2T27 Y47 T48L25-T27 HydrophobicContact CD2-CG2 4.14Å; L25-T27 HydrophobicContact CG-CG2 3.98Å; L25-Y47 WeakPolarHBondContact O-CA 3.36Å; L25-T48 PolarHBondContact N-O 3.05Å; L25-T48 PolarHBondContact O-N 2.89Å
26V90.1Very high78.9Confident2 Ų282.7 Ų82.71%0.01246%0.458CS..EExtended strand (participates in β ladder)trans-102.6134174.1-176.70000109.5L24 I147 P157 K159L24-V26 HydrophobicContact CG-CG2 4.4Å; V26-I147 HydrophobicContact CB-CD1 4.41Å; V26-I147 HydrophobicContact CG1-CD1 3.82Å; V26-I147 HydrophobicContact CG2-CB 4.15Å; V26-I147 HydrophobicContact CG2-CD1 3.66Å; V26-I147 HydrophobicContact CG2-CG1 4.39Å; V26-P157 VanDerWaalsContact CG2-O 3.3Å; V26-P157 WeakPolarHBondContact CG2-O 3.45Å; V26-K159 HydrophobicContact CB-CG 4.03Å; V26-K159 HydrophobicContact CG1-CB 4.13Å; V26-K159 HydrophobicContact CG1-CG 3.93Å; V26-K159 WeakPolarHBondContact O-CG 3.43Å
27T90Very high81Confident61 Ų6173.9 Ų73.937%0.37443%0.427SS..EExtended strand (participates in β ladder)trans-131.4140-175.563.40000110.7L25 D46L25-T27 HydrophobicContact CD2-CG2 4.14Å; L25-T27 HydrophobicContact CG-CG2 3.98Å; T27-D46 WeakPolarHBondContact CA-O 3.43Å; T27-D46 PolarHBondContact N-O 3.35Å; T27-D46 PolarHBondContact O-N 2.92Å; T27-D46 VanDerWaalsContact O-O 3.08Å; T27-D46 WeakPolarHBondContact OG1-CB 3.38Å; T27-D46 PolarHBondContact OG1-O 2.93Å
28V92.5Very high82.7Confident33 Ų3375.3 Ų75.320%0.243%0.428CS..EExtended strand (participates in β ladder)trans-124.9126.9-175.51590000107.9H30 T31 K159 V161V28-H30 VanDerWaalsContact CG1-C 3.49Å; V28-H30 VanDerWaalsContact CG1-O 3.22Å; V28-H30 WeakPolarHBondContact CG1-O 3.48Å; V28-T31 HydrophobicContact CG1-CG2 4.31Å; V28-K159 HydrophobicContact CG2-CB 3.66Å; V28-V161 HydrophobicContact CG1-CG2 3.76Å; V28-V161 HydrophobicContact CG2-CG2 3.95Å
29Q87.6Confident84.5Confident94 Ų9471 Ų7144%0.43940%0.403SS..SBendtrans-75.5-30.1-176.6-60.4-173.71500112.4K44 D46Q29-K44 HydrophobicContact CB-CB 4.31Å; Q29-K44 HydrophobicContact CB-CD 4.3Å; Q29-K44 VanDerWaalsContact CD-CD 3.43Å; Q29-K44 HydrophobicContact CG-CB 4.3Å; Q29-K44 HydrophobicContact CG-CD 4.22Å; Q29-D46 PolarHBondContact NE2-OD2 3.31Å
30H90.9Very high86.3Confident112 Ų11269.9 Ų69.952%0.51939%0.388SS..  trans-141.5114.9178.6-59.2-42.4000109.9V28 E32V28-H30 VanDerWaalsContact CG1-C 3.49Å; V28-H30 VanDerWaalsContact CG1-O 3.22Å; V28-H30 WeakPolarHBondContact CG1-O 3.48Å; H30-E32 VanDerWaalsContact C-N 3.35Å
31T90.5Very high88.2Confident88 Ų8867.2 Ų67.254%0.5436%0.36SS..SBendtrans-75.6-20.9178.747.10000113.4V28 V161 K162V28-T31 HydrophobicContact CG1-CG2 4.31Å; T31-V161 CarbonylContact O-C 3.52Å; T31-K162 PolarHBondContact O-N 2.85Å
32E93.1Very high89.9Confident76 Ų7664.6 Ų64.636%0.35534%0.34SS..EExtended strand (participates in β ladder)trans-130.6138.5175.4-55.3-161.7161.400111.1H30 Y34 K162 I164H30-E32 VanDerWaalsContact C-N 3.35Å; E32-Y34 HydrophobicContact CB-CE2 4.3Å; E32-Y34 PolarHBondContact OE2-OH 3.18Å; E32-K162 CarbonylContact C-O 3.55Å; E32-K162 HydrophobicContact CG-CB 4.26Å; E32-K162 HydrophobicContact CG-CD 4.04Å; E32-K162 HydrophobicContact CG-CG 4.39Å; E32-K162 WeakPolarHBondContact OE1-CD 3.42Å; E32-K162 WeakPolarHBondContact OE1-CE 3.4Å; E32-K162 IonicContact OE1-NZ 3.17Å; E32-K162 PolarHBondContact OE1-NZ 2.8Å; E32-I164 HydrophobicContact CB-CD1 4.16Å
33R94.8Very high91.3Very high108 Ų10860.8 Ų60.841%0.40832%0.32SS..EExtended strand (participates in β ladder)trans-139.9117.4-179.4-163.770.6-178.387.8-4.2111.8V35 V41 L43 K162 I164R33-V35 HydrophobicContact CG-CG2 4.15Å; R33-V41 HydrophobicContact CG-CG2 3.86Å; R33-L43 HydrophobicContact CB-CD2 4.36Å; R33-L43 HydrophobicContact CG-CD2 4.49Å; R33-K162 PolarHBondContact N-O 2.78Å; R33-I164 PolarHBondContact O-N 3.02Å
34Y93.9Very high92.2Very high108 Ų10861.6 Ų61.642%0.42432%0.316SS..EExtended strand (participates in β ladder)trans-92.2133176-60.3-92000111.1E32 I164 L166E32-Y34 HydrophobicContact CB-CE2 4.3Å; E32-Y34 PolarHBondContact OE2-OH 3.18Å; Y34-I164 WeakPolarHBondContact CA-O 3.36Å; Y34-I164 HydrophobicContact CD1-CB 3.69Å; Y34-I164 HydrophobicContact CD1-CD1 4.39Å; Y34-I164 HydrophobicContact CD1-CG1 4.35Å; Y34-I164 HydrophobicContact CD1-CG2 3.86Å; Y34-I164 HydrophobicContact CE1-CB 3.75Å; Y34-I164 HydrophobicContact CE1-CD1 3.99Å; Y34-I164 HydrophobicContact CE1-CG1 3.94Å; Y34-I164 HydrophobicContact CE1-CG2 3.81Å; Y34-I164 HydrophobicContact CE2-CD1 4.24Å; Y34-I164 HydrophobicContact CG-CB 4.43Å; Y34-L166 HydrophobicContact CD1-CD2 4.29Å
35V94.4Very high92.6Very high13 Ų1361.3 Ų61.38%0.07931%0.314CS..EExtended strand (participates in β ladder)trans-146.6150.4-174.1-170.90000110.5R33 A39 V41 V135 L163 I164 V165 L166R33-V35 HydrophobicContact CG-CG2 4.15Å; V35-A39 HydrophobicContact CG1-CB 3.89Å; V35-V41 HydrophobicContact CG1-CB 4.34Å; V35-V41 HydrophobicContact CG2-CB 3.9Å; V35-V41 HydrophobicContact CG2-CG2 3.64Å; V35-V135 HydrophobicContact CG1-CB 4.3Å; V35-V135 HydrophobicContact CG1-CG1 4.29Å; V35-V135 HydrophobicContact CG1-CG2 4.16Å; V35-L163 HydrophobicContact CB-CD1 4.17Å; V35-L163 HydrophobicContact CG2-CD1 3.5Å; V35-I164 PolarHBondContact N-O 3.28Å; V35-V165 CarbonylContact O-C 3.54Å; V35-V165 WeakPolarHBondContact O-CA 3.5Å; V35-L166 PolarHBondContact O-N 3.39Å
36T93.3Very high92.9Very high61 Ų6159.8 Ų59.837%0.37431%0.307SS..  trans-94.5162.4173.153.90000112A39T36-A39 WeakPolarHBondContact O-CB 3.47Å; T36-A39 PolarHBondContact O-N 3.1Å
37L92.6Very high92.9Very high33 Ų3360.6 Ų60.617%0.17331%0.31CS..THydrogen-bonded Turntrans-55.9146171.4-62.2178.9000111.8A39 W137 V165 H167 T170L37-A39 PolarHBondContact O-N 3.21Å; L37-W137 HydrophobicContact CD2-CB 3.88Å; L37-V165 HydrophobicContact CD2-CG1 3.58Å; L37-V165 HydrophobicContact CG-CG1 4.41Å; L37-H167 HydrophobicContact CD1-CB 4.04Å; L37-H167 HydrophobicContact CD2-CB 4.07Å; L37-H167 HydrophobicContact CG-CB 4.08Å; L37-T170 HydrophobicContact CB-CG2 4.23Å; L37-T170 HydrophobicContact CD1-CG2 4.49Å; L37-T170 HydrophobicContact CG-CG2 4.28Å
38F90.9Very high92.9Very high149 Ų14961.8 Ų61.865%0.65432%0.317SS*.THydrogen-bonded Turntrans60.84.5179.9-45.2-74.7000116.1V135 M136F38-V135 PolarHBondContact N-O 3.15Å; F38-M136 HydrophobicContact CD1-CE 3.8Å; F38-M136 HydrophobicContact CD1-SD 3.95Å; F38-M136 HydrophobicContact CE1-CE 3.74Å; F38-M136 HydrophobicContact CE1-SD 3.55Å; F38-M136 VanDerWaalsContact CE1-SD 3.55Å; F38-M136 HydrophobicContact CZ-SD 4.43Å
39A92.6Very high92.7Very high30 Ų3061.8 Ų61.825%0.24832%0.317CS..  trans-79.3160.7169.900000111.4V35 T36 L37 V135V35-A39 HydrophobicContact CG1-CB 3.89Å; T36-A39 WeakPolarHBondContact O-CB 3.47Å; T36-A39 PolarHBondContact O-N 3.1Å; L37-A39 PolarHBondContact O-N 3.21Å; A39-V135 WeakPolarHBondContact O-CB 3.43Å; A39-V135 WeakPolarHBondContact O-CG2 3.32Å; A39-V135 PolarHBondContact O-N 3.36Å
40S94.3Very high92.6Very high82 Ų8260.4 Ų60.457%0.57332%0.318SS*.  trans-91146.4169.557.10000111.4I132 N133S40-I132 CarbonylContact C-O 3.59Å; S40-I132 VanDerWaalsContact CA-O 3.31Å; S40-I132 WeakPolarHBondContact CA-O 3.47Å; S40-N133 WeakPolarHBondContact CA-O 3.22Å; S40-N133 WeakPolarHBondContact CB-O 3.32Å
41V95.1Very high92.1Very high5 Ų556 Ų563%0.0330%0.3CS..EExtended strand (participates in β ladder)trans-137.1146.5175.368.20000111.4R33 V35 L43 V131 I132 V135 L163R33-V41 HydrophobicContact CG-CG2 3.86Å; V35-V41 HydrophobicContact CG1-CB 4.34Å; V35-V41 HydrophobicContact CG2-CB 3.9Å; V35-V41 HydrophobicContact CG2-CG2 3.64Å; V41-L43 HydrophobicContact CG2-CD2 3.89Å; V41-V131 WeakPolarHBondContact O-CA 3Å; V41-I132 HydrophobicContact CG1-CB 3.96Å; V41-I132 HydrophobicContact CG1-CD1 4.35Å; V41-I132 PolarHBondContact N-O 3.43Å; V41-I132 PolarHBondContact O-N 3.41Å; V41-V135 HydrophobicContact CB-CG2 4.23Å; V41-V135 HydrophobicContact CG1-CG2 3.5Å; V41-L163 HydrophobicContact CG1-CD1 4.37Å; V41-L163 HydrophobicContact CG1-CD2 4.26Å; V41-L163 HydrophobicContact CG2-CD1 4.37Å
42V95.2Very high91.8Very high63 Ų6358 Ų5838%0.38230%0.304SS..EExtended strand (participates in β ladder)trans-113.7119.7166.9-175.40000107.9K44 D129 L130 V131V42-K44 HydrophobicContact CG1-CG 4.15Å; V42-D129 HydrophobicContact CG1-CB 4Å; V42-L130 CarbonylContact C-O 3.51Å; V42-L130 WeakPolarHBondContact CA-O 3.43Å; V42-V131 HydrophobicContact CG1-CG2 4.14Å; V42-V131 HydrophobicContact CG2-CG1 4.31Å; V42-V131 HydrophobicContact CG2-CG2 3.98Å
43L95.8Very high91.4Very high3 Ų358.7 Ų58.72%0.01631%0.309CS..EExtended strand (participates in β ladder)trans-93.1113.1167.5-50.3-173.4000107.3R33 V41 W60 L130 Y143 V161 L163R33-L43 HydrophobicContact CB-CD2 4.36Å; R33-L43 HydrophobicContact CG-CD2 4.49Å; V41-L43 HydrophobicContact CG2-CD2 3.89Å; L43-W60 HydrophobicContact CB-CH2 3.74Å; L43-W60 HydrophobicContact CB-CZ2 4.4Å; L43-W60 HydrophobicContact CB-CZ3 4.18Å; L43-W60 HydrophobicContact CD1-CZ3 4.21Å; L43-L130 HydrophobicContact CB-CB 4.35Å; L43-L130 HydrophobicContact CD1-CD2 4.28Å; L43-L130 PolarHBondContact N-O 2.83Å; L43-L130 PolarHBondContact O-N 2.77Å; L43-Y143 HydrophobicContact CD1-CD1 3.76Å; L43-Y143 HydrophobicContact CD1-CD2 3.9Å; L43-Y143 HydrophobicContact CD1-CE1 4.41Å; L43-Y143 HydrophobicContact CD1-CG 3.47Å; L43-Y143 VanDerWaalsContact CD1-CG 3.47Å; L43-V161 HydrophobicContact CB-CG1 4.33Å; L43-V161 HydrophobicContact CD1-CG1 4.3Å; L43-V161 HydrophobicContact CD2-CG1 3.98Å; L43-V161 HydrophobicContact CG-CG1 4.43Å; L43-L163 HydrophobicContact CD2-CD1 4.37Å
44K94.9Very high90.9Very high81 Ų8157.6 Ų57.635%0.35231%0.309SS..  trans-86.2134.1-173.1-71.1-171.2177.5178.40112.6Q29 V42 D129Q29-K44 HydrophobicContact CB-CB 4.31Å; Q29-K44 HydrophobicContact CB-CD 4.3Å; Q29-K44 VanDerWaalsContact CD-CD 3.43Å; Q29-K44 HydrophobicContact CG-CB 4.3Å; Q29-K44 HydrophobicContact CG-CD 4.22Å; V42-K44 HydrophobicContact CG1-CG 4.15Å; K44-D129 WeakPolarHBondContact CA-OD1 3Å
45C94.8Very high90.5Very high0 Ų055.8 Ų55.80%031%0.307CS..EExtended strand (participates in β ladder)trans-143.2119.1177.6-178.70000110.2W60 A128 D129 C145C45-W60 HydrophobicContact CB-CH2 4.02Å; C45-W60 HydrophobicContact CB-CZ2 3.52Å; C45-A128 HydrophobicContact CB-CB 4.15Å; C45-A128 WeakPolarHBondContact O-CB 3.44Å; C45-D129 PolarHBondContact N-OD1 3.38Å; C45-C145 HydrophobicContact CB-CB 3.76Å; C45-C145 WeakPolarHBondContact CB-SG 3.39Å; C45-C145 WeakPolarHBondContact SG-CB 3.47Å; C45-C145 CovalentContact SG-SG 2.03Å; C45-C145 PolarHBondContact SG-SG 3.11Å
46D93.6Very high90.4Very high54 Ų5455.2 Ų55.229%0.28930%0.303SS..EExtended strand (participates in β ladder)trans-113.8132.2176.9-77.9-68.3000108.9T27 Q29T27-D46 WeakPolarHBondContact CA-O 3.43Å; T27-D46 PolarHBondContact N-O 3.35Å; T27-D46 PolarHBondContact O-N 2.92Å; T27-D46 VanDerWaalsContact O-O 3.08Å; T27-D46 WeakPolarHBondContact OG1-CB 3.38Å; T27-D46 PolarHBondContact OG1-O 2.93Å; Q29-D46 PolarHBondContact NE2-OD2 3.31Å
47Y91.4Very high90.4Very high19 Ų1953.4 Ų53.48%0.07529%0.292CS..EExtended strand (participates in β ladder)trans-126.2148.8177.467.9-91.5000111.9L25 T49 L53 V56 V58 R127 A128 I147L25-Y47 WeakPolarHBondContact O-CA 3.36Å; Y47-T49 HydrophobicContact CD2-CG2 3.84Å; Y47-T49 HydrophobicContact CE2-CG2 3.72Å; Y47-L53 HydrophobicContact CE2-CD2 4.17Å; Y47-V56 HydrophobicContact CE2-CG1 3.89Å; Y47-V58 HydrophobicContact CD1-CG2 4.48Å; Y47-V58 HydrophobicContact CE1-CG2 3.76Å; Y47-R127 HydrophobicContact CE1-CB 3.96Å; Y47-A128 HydrophobicContact CD1-CB 3.87Å; Y47-A128 HydrophobicContact CE1-CB 3.89Å; Y47-I147 HydrophobicContact CD1-CD1 4.22Å; Y47-I147 HydrophobicContact CD1-CG1 3.94Å; Y47-I147 HydrophobicContact CD2-CG2 4.32Å; Y47-I147 HydrophobicContact CE1-CG1 4.48Å; Y47-I147 HydrophobicContact CG-CD1 4.39Å; Y47-I147 HydrophobicContact CG-CG1 4.06Å; Y47-I147 HydrophobicContact CG-CG2 4.45Å
48T89.3Confident90.5Very high85 Ų8552 Ų5252%0.52128%0.284SS..EExtended strand (participates in β ladder)trans-121135.4169.856.10000109.8L25L25-T48 PolarHBondContact N-O 3.05Å; L25-T48 PolarHBondContact O-N 2.89Å
49T87.9Confident90.7Very high34 Ų3444.9 Ų44.921%0.20925%0.253CS..  trans-148.4145.9-172173.90000108.6Y47 A51 L53 V56 D152Y47-T49 HydrophobicContact CD2-CG2 3.84Å; Y47-T49 HydrophobicContact CE2-CG2 3.72Å; T49-A51 WeakPolarHBondContact OG1-CB 3.43Å; T49-A51 PolarHBondContact OG1-N 2.93Å; T49-L53 HydrophobicContact CG2-CD2 4.08Å; T49-V56 HydrophobicContact CG2-CG2 4.3Å; T49-D152 WeakPolarHBondContact CA-OD2 3.38Å; T49-D152 WeakPolarHBondContact CB-OD2 3.46Å; T49-D152 PolarHBondContact OG1-OD2 2.93Å
50S84.6Confident90.9Very high65 Ų6543.4 Ų43.446%0.45524%0.241SC..SBendtrans-85.5-16.4169.720.70000112.9L22 S23 D152L22-S50 WeakPolarHBondContact CA-OG 3.41Å; S23-S50 PolarHBondContact N-OG 3.21Å; S50-D152 PolarHBondContact N-OD2 2.94Å; S50-D152 PolarHBondContact OG-OD1 3.17Å; S50-D152 PolarHBondContact OG-OD2 3.31Å
51A82.2Confident90.9Very high18 Ų1842.6 Ų42.615%0.14923%0.226CC..SBendtrans-74.7165.1178.900000114.1T49 L53 A149 P150 D152T49-A51 WeakPolarHBondContact OG1-CB 3.43Å; T49-A51 PolarHBondContact OG1-N 2.93Å; A51-L53 PolarHBondContact O-N 2.83Å; A51-A149 HydrophobicContact CB-CB 4.15Å; A51-P150 WeakPolarHBondContact CB-O 3.21Å; A51-D152 PolarHBondContact N-OD2 2.93Å
52Q84.4Confident90.9Very high131 Ų13142.5 Ų42.561%0.61223%0.225SC*.  trans-73.4120.1-178.2-17165.431.500112Q54 D55Q52-Q54 PolarHBondContact O-N 2.96Å; Q52-D55 PolarHBondContact O-N 2.86Å; Q52-D55 VanDerWaalsContact O-N 3.12Å
53L83.8Confident90.9Very high90 Ų9040.9 Ų40.947%0.47121%0.212SC..THydrogen-bonded Turntrans-57.5-15.9-173.3-69.1172.1000116.3Y47 T49 A51 G107Y47-L53 HydrophobicContact CE2-CD2 4.17Å; T49-L53 HydrophobicContact CG2-CD2 4.08Å; A51-L53 PolarHBondContact O-N 2.83Å; L53-G107 WeakPolarHBondContact O-CA 3.29Å
54Q83.6Confident90.9Very high85 Ų8542 Ų4240%0.39722%0.221SC..THydrogen-bonded Turntrans-74.5-28.3177-80.372.427.900113.6Q52 G107Q52-Q54 PolarHBondContact O-N 2.96Å; Q54-G107 WeakPolarHBondContact O-CA 3.41Å
55D86.3Confident90.8Very high71 Ų7139 Ų3938%0.3821%0.208SC..THydrogen-bonded Turntrans-104.7-6.7-175.8-80.1-63.7000114.5Q52 V57 R106 P150Q52-D55 PolarHBondContact O-N 2.86Å; Q52-D55 VanDerWaalsContact O-N 3.12Å; D55-V57 PolarHBondContact O-N 2.86Å; D55-R106 IonicContact OD1-CZ 3.55Å; D55-R106 IonicContact OD1-NE 3.55Å; D55-R106 IonicContact OD1-NH2 2.71Å; D55-R106 PolarHBondContact OD1-NH2 2.74Å; D55-P150 HydrophobicContact CB-CG 3.81Å
56V91.4Very high90.7Very high0 Ų040.8 Ų40.80%022%0.22CC..  trans-61.5128.3174.7-179.20000110.5Y47 T49 G107 I147 A149Y47-V56 HydrophobicContact CE2-CG1 3.89Å; T49-V56 HydrophobicContact CG2-CG2 4.3Å; V56-G107 PolarHBondContact O-N 2.99Å; V56-I147 HydrophobicContact CG1-CG2 3.52Å; V56-A149 HydrophobicContact CG1-CB 4.36Å; V56-A149 HydrophobicContact CG2-CB 4.11Å
57V93.2Very high90.6Very high23 Ų2341 Ų4114%0.13922%0.218CC..EExtended strand (participates in β ladder)trans-104.2115.2176.3-179.50000109.5D55 Q104 R105 R106 I147 E148D55-V57 PolarHBondContact O-N 2.86Å; V57-Q104 HydrophobicContact CG1-CG 3.73Å; V57-R105 WeakPolarHBondContact CA-O 3.36Å; V57-R106 HydrophobicContact CG2-CB 4.16Å; V57-R106 HydrophobicContact CG2-CG 3.91Å; V57-I147 WeakPolarHBondContact O-CA 3.37Å; V57-E148 HydrophobicContact CB-CB 4.29Å; V57-E148 PolarHBondContact N-O 3.31Å; V57-E148 PolarHBondContact O-N 3.29Å
58V94.6Very high90.6Very high3 Ų342.8 Ų42.82%0.01823%0.229CC..EExtended strand (participates in β ladder)trans-92.6120.3169.6-1780000107.9Y47 Q104 R105 A128 I147Y47-V58 HydrophobicContact CD1-CG2 4.48Å; Y47-V58 HydrophobicContact CE1-CG2 3.76Å; V58-Q104 CarbonylContact O-C 3.55Å; V58-Q104 WeakPolarHBondContact O-CA 3.29Å; V58-R105 PolarHBondContact N-O 2.88Å; V58-R105 PolarHBondContact O-N 3.14Å; V58-A128 HydrophobicContact CG1-CB 3.65Å; V58-A128 HydrophobicContact CG2-CB 4.06Å; V58-I147 HydrophobicContact CG1-CG1 4.42Å; V58-I147 HydrophobicContact CG2-CG1 4.08Å
59T95.4Very high90.6Very high0 Ų039.6 Ų39.60%021%0.209CC..EExtended strand (participates in β ladder)trans-119.9132.4174.6-48.70000109.6R61 I101 Q104 T146T59-R61 HydrophobicContact CG2-CG 4.1Å; T59-I101 HydrophobicContact CG2-CG2 3.86Å; T59-Q104 HydrophobicContact CG2-CB 4.33Å; T59-Q104 HydrophobicContact CG2-CG 4.36Å; T59-Q104 PolarHBondContact OG1-NE2 3.24Å; T59-T146 WeakPolarHBondContact CB-OG1 3.35Å; T59-T146 PolarHBondContact N-O 3.36Å; T59-T146 PolarHBondContact O-N 2.68Å; T59-T146 VanDerWaalsContact O-O 3.11Å; T59-T146 PolarHBondContact O-OG1 3.43Å
60W96.4Very high90.7Very high0 Ų040 Ų400%021%0.21CC..EExtended strand (participates in β ladder)trans-103119.6171-8293.2000110.1L43 C45 V102 A103 A128 L130 Y144 C145 V161L43-W60 HydrophobicContact CB-CH2 3.74Å; L43-W60 HydrophobicContact CB-CZ2 4.4Å; L43-W60 HydrophobicContact CB-CZ3 4.18Å; L43-W60 HydrophobicContact CD1-CZ3 4.21Å; C45-W60 HydrophobicContact CB-CH2 4.02Å; C45-W60 HydrophobicContact CB-CZ2 3.52Å; W60-V102 HydrophobicContact CB-CB 4.41Å; W60-V102 PolarHBondContact O-N 2.86Å; W60-A103 PolarHBondContact N-O 3.49Å; W60-A128 WeakPolarHBondContact CZ2-O 3.45Å; W60-A128 PolarHBondContact NE1-O 3.07Å; W60-L130 HydrophobicContact CB-CD1 4.34Å; W60-L130 HydrophobicContact CB-CD2 4.2Å; W60-L130 HydrophobicContact CD2-CB 3.8Å; W60-L130 HydrophobicContact CD2-CD2 3.98Å; W60-L130 HydrophobicContact CD2-CG 4.37Å; W60-L130 HydrophobicContact CE3-CB 4.39Å; W60-L130 HydrophobicContact CE3-CD2 4.11Å; W60-L130 HydrophobicContact CG-CB 4.08Å; W60-L130 HydrophobicContact CG-CD1 4.13Å; W60-L130 HydrophobicContact CG-CD2 4.05Å; W60-L130 HydrophobicContact CG-CG 4.32Å; W60-L130 HydrophobicContact CH2-CB 4.38Å; W60-L130 HydrophobicContact CZ2-CB 3.81Å; W60-Y144 WeakPolarHBondContact CA-O 3.47Å; W60-C145 HydrophobicContact CD2-CB 4.2Å; W60-C145 HydrophobicContact CE3-CB 4.09Å; W60-C145 HydrophobicContact CH2-CB 3.67Å; W60-C145 HydrophobicContact CZ2-CB 3.74Å; W60-C145 HydrophobicContact CZ3-CB 3.82Å; W60-V161 HydrophobicContact CH2-CG2 4.18Å; W60-V161 HydrophobicContact CZ3-CG2 4.21Å
61R95.2Very high91Very high65 Ų6542.1 Ų42.125%0.24521%0.211CC..EExtended strand (participates in β ladder)trans-111.9117.1-177.1-59.6176.3177.7135.25.8109.1T59 R100 Y144 T146 E148 D158T59-R61 HydrophobicContact CG2-CG 4.1Å; R61-R100 CarbonylContact C-O 3.55Å; R61-R100 WeakPolarHBondContact CA-O 3.34Å; R61-Y144 PolarHBondContact N-O 3.49Å; R61-Y144 PolarHBondContact O-N 3.05Å; R61-T146 HydrophobicContact CG-CG2 4.32Å; R61-T146 VanDerWaalsContact CZ-OG1 3.27Å; R61-T146 VanDerWaalsContact NH1-CB 3.35Å; R61-T146 PolarHBondContact NH1-OG1 3.31Å; R61-E148 IonicContact CZ-OE1 3.52Å; R61-E148 IonicContact NH1-OE1 2.7Å; R61-E148 IonicContact NH2-OE1 3.15Å; R61-E148 PolarHBondContact NH2-OE1 3.03Å; R61-D158 IonicContact NH1-OD2 2.68Å
62F95.8Very high91.4Very high2 Ų244.1 Ų44.11%0.00922%0.219CC..EExtended strand (participates in β ladder)trans-81136.2170.4171-94000109.4V99 R100 V102 Y143F62-V99 CarbonylContact O-C 3.52Å; F62-V99 WeakPolarHBondContact O-CA 3.37Å; F62-R100 HydrophobicContact CB-CB 4.48Å; F62-R100 HydrophobicContact CD1-CB 4.42Å; F62-R100 PolarHBondContact N-O 3.04Å; F62-R100 PolarHBondContact O-N 3Å; F62-V102 HydrophobicContact CB-CG2 3.5Å; F62-V102 VanDerWaalsContact CB-CG2 3.5Å; F62-Y143 HydrophobicContact CB-CE1 4.47Å; F62-Y143 HydrophobicContact CD2-CD2 4.24Å; F62-Y143 HydrophobicContact CD2-CE1 4.13Å; F62-Y143 AromaticContact CD2-CE2 3.62Å; F62-Y143 HydrophobicContact CD2-CE2 3.62Å; F62-Y143 AromaticContact CD2-CZ 3.57Å; F62-Y143 HydrophobicContact CE2-CE2 4.03Å
63K94.9Very high91.7Very high29 Ų2942.4 Ų42.413%0.12621%0.208CC..EExtended strand (participates in β ladder)trans-127.1132.1166.4-53.4-160.8-171.5-174.20108.6D94 E98 V99 V142 Y144K63-D94 VanDerWaalsContact NZ-CG 3.25Å; K63-D94 IonicContact NZ-OD1 3.74Å; K63-D94 PolarHBondContact NZ-OD1 2.96Å; K63-D94 IonicContact NZ-OD2 3Å; K63-D94 PolarHBondContact NZ-OD2 3.23Å; K63-E98 CarbonylContact C-O 3.37Å; K63-E98 VanDerWaalsContact CA-O 3.29Å; K63-E98 WeakPolarHBondContact CA-O 3.44Å; K63-V99 HydrophobicContact CB-CG2 4.49Å; K63-V99 HydrophobicContact CD-CG2 4.17Å; K63-V99 HydrophobicContact CG-CG1 4.28Å; K63-V99 HydrophobicContact CG-CG2 4.06Å; K63-V142 PolarHBondContact N-O 2.94Å; K63-V142 PolarHBondContact O-N 3.41Å; K63-Y144 HydrophobicContact CD-CD2 3.94Å; K63-Y144 HydrophobicContact CD-CE2 3.62Å; K63-Y144 HydrophobicContact CG-CD2 3.92Å; K63-Y144 HydrophobicContact CG-CE2 4Å
64S94.6Very high92Very high27 Ų2747.7 Ų47.719%0.18922%0.223CC..  trans-64.4152.6171.769.40000110.5R97 E98S64-R97 VanDerWaalsContact O-CD 3.29Å; S64-R97 WeakPolarHBondContact O-CD 3.45Å; S64-R97 WeakPolarHBondContact OG-CB 3.36Å; S64-E98 PolarHBondContact N-O 2.7Å; S64-E98 PolarHBondContact OG-N 2.9Å
65F94.1Very high92.5Very high19 Ų1945.3 Ų45.38%0.08322%0.216CC..  trans-63151.7174.3-68.9-72.9000111.5P69 H140 G141 V142 K162 I164F65-P69 HydrophobicContact CD1-CG 4.35Å; F65-P69 HydrophobicContact CE1-CG 4.06Å; F65-P69 HydrophobicContact CE2-CG 4.38Å; F65-P69 HydrophobicContact CZ-CG 4.08Å; F65-H140 AromaticContact CD2-CE1 3.37Å; F65-H140 WeakPolarHBondContact CD2-CE1 3.2Å; F65-H140 AromaticContact CD2-ND1 3.33Å; F65-H140 VanDerWaalsContact CD2-ND1 3.33Å; F65-H140 WeakPolarHBondContact CD2-ND1 3.02Å; F65-H140 AromaticContact CE2-CD2 4Å; F65-H140 AromaticContact CE2-CE1 3.47Å; F65-H140 VanDerWaalsContact CE2-CE1 3.47Å; F65-H140 WeakPolarHBondContact CE2-CE1 3.4Å; F65-H140 AromaticContact CE2-CG 3.85Å; F65-H140 AromaticContact CE2-ND1 3.54Å; F65-H140 AromaticContact CE2-NE2 3.75Å; F65-G141 WeakPolarHBondContact CZ-O 3.2Å; F65-V142 HydrophobicContact CD1-CG2 3.55Å; F65-V142 HydrophobicContact CE1-CG2 3.53Å; F65-V142 HydrophobicContact CG-CG2 4.47Å; F65-V142 HydrophobicContact CZ-CG2 4.44Å; F65-K162 HydrophobicContact CE1-CB 4.08Å; F65-K162 HydrophobicContact CE1-CD 4.27Å; F65-K162 HydrophobicContact CE1-CG 4.17Å; F65-K162 HydrophobicContact CZ-CB 4.16Å; F65-I164 HydrophobicContact CZ-CG1 4.28Å
66C92.2Very high92.8Very high37 Ų3746 Ų4625%0.2523%0.231CC..SBendtrans-81.7-32175.5-58.10000112.4P88 S89 N90 C92C66-P88 WeakPolarHBondContact CB-O 3.12Å; C66-S89 PolarHBondContact N-O 3.03Å; C66-N90 PolarHBondContact SG-O 2.96Å; C66-C92 HydrophobicContact CB-CB 3.58Å; C66-C92 WeakPolarHBondContact CB-SG 3.47Å; C66-C92 WeakPolarHBondContact SG-CB 3.14Å; C66-C92 PolarHBondContact SG-N 2.98Å; C66-C92 VanDerWaalsContact SG-N 3.35Å; C66-C92 CovalentContact SG-SG 2.03Å; C66-C92 PolarHBondContact SG-SG 2.93Å
67K91.6Very high92.8Very high59 Ų5948.9 Ų48.926%0.25725%0.251SS..SBendtrans-148.7147.2169.4-63.9-169.7-167.5176.50107.6P69 D72 S77 Y78 P88K67-P69 WeakPolarHBondContact O-CD 3.36Å; K67-D72 WeakPolarHBondContact CA-OD2 3.48Å; K67-D72 HydrophobicContact CB-CB 3.94Å; K67-D72 WeakPolarHBondContact CB-OD2 3.25Å; K67-S77 PolarHBondContact NZ-O 2.72Å; K67-S77 PolarHBondContact NZ-OG 2.97Å; K67-Y78 HydrophobicContact CB-CD2 4.11Å; K67-Y78 HydrophobicContact CB-CE2 4.45Å; K67-Y78 HydrophobicContact CD-CD2 4.33Å; K67-P88 HydrophobicContact CD-CB 4.18Å; K67-P88 PolarHBondContact N-O 2.93Å
68D90.8Very high92.8Very high56 Ų5648.3 Ų48.330%0.29925%0.247SC..  trans-76.3119.3-174.9-81.4-25.8000111I70 F71 D72 H140D68-I70 PolarHBondContact O-N 3.16Å; D68-F71 HydrophobicContact CB-CB 4.16Å; D68-F71 HydrophobicContact CB-CD2 4.12Å; D68-F71 PolarHBondContact O-N 3.33Å; D68-D72 PolarHBondContact N-OD2 2.54Å; D68-D72 WeakPolarHBondContact O-CB 3.46Å; D68-D72 PolarHBondContact O-N 2.64Å; D68-H140 IonicContact OD1-CE1 2.7Å; D68-H140 PolarHBondContact OD1-CE1 2.95Å; D68-H140 IonicContact OD1-ND1 3Å
69P89.9Confident92.7Very high17 Ų1751.9 Ų51.911%0.1126%0.263CS..THydrogen-bonded Turntrans-68-2.9-174.428.3-36.1000114.4F65 K67 I164F65-P69 HydrophobicContact CD1-CG 4.35Å; F65-P69 HydrophobicContact CE1-CG 4.06Å; F65-P69 HydrophobicContact CE2-CG 4.38Å; F65-P69 HydrophobicContact CZ-CG 4.08Å; K67-P69 WeakPolarHBondContact O-CD 3.36Å; P69-I164 HydrophobicContact CG-CG1 4.13Å
70I90.9Very high92.6Very high44 Ų4454.1 Ų54.123%0.22628%0.282CS..THydrogen-bonded Turntrans-103.5-56.3170.5-66.2-174.7000111.1D68 I164 L166D68-I70 PolarHBondContact O-N 3.16Å; I70-I164 HydrophobicContact CD1-CG2 3.47Å; I70-I164 VanDerWaalsContact CD1-CG2 3.47Å; I70-I164 HydrophobicContact CG1-CG2 3.92Å; I70-L166 HydrophobicContact CD1-CD2 3.53Å
71F88.9Confident92.4Very high109 Ų10954.8 Ų54.848%0.47829%0.287SS..THydrogen-bonded Turntrans-78.3-43.9-171.3-63.5-67.2000112.9D68 Y73 H167 W168D68-F71 HydrophobicContact CB-CB 4.16Å; D68-F71 HydrophobicContact CB-CD2 4.12Å; D68-F71 PolarHBondContact O-N 3.33Å; F71-Y73 VanDerWaalsContact C-N 3.27Å; F71-Y73 PolarHBondContact O-N 2.91Å; F71-H167 AromaticContact CE2-CE1 3.91Å; F71-H167 AromaticContact CE2-NE2 3.53Å; F71-H167 AromaticContact CZ-CE1 3.96Å; F71-H167 AromaticContact CZ-NE2 3.94Å; F71-W168 HydrophobicContact CE1-CB 4.47Å; F71-W168 HydrophobicContact CZ-CB 4Å; F71-W168 AromaticContact CZ-CD1 3.96Å; F71-W168 HydrophobicContact CZ-CG 4.16Å
72D90.8Very high92.2Very high59 Ų5954.9 Ų54.932%0.31629%0.293SS..G310 helixtrans-79.7-9.7179.9-72.3-50.4000113K67 D68 Y74 S75 Y78K67-D72 WeakPolarHBondContact CA-OD2 3.48Å; K67-D72 HydrophobicContact CB-CB 3.94Å; K67-D72 WeakPolarHBondContact CB-OD2 3.25Å; D68-D72 PolarHBondContact N-OD2 2.54Å; D68-D72 WeakPolarHBondContact O-CB 3.46Å; D68-D72 PolarHBondContact O-N 2.64Å; D72-Y74 VanDerWaalsContact C-N 3.26Å; D72-Y74 PolarHBondContact O-N 2.86Å; D72-Y74 VanDerWaalsContact O-N 3.17Å; D72-S75 WeakPolarHBondContact O-CA 3.49Å; D72-S75 WeakPolarHBondContact O-CB 3.44Å; D72-S75 PolarHBondContact O-N 2.91Å; D72-S75 PolarHBondContact O-OG 2.9Å; D72-Y78 HydrophobicContact CB-CD2 4.02Å; D72-Y78 WeakPolarHBondContact O-CB 3.48Å
73Y90.6Very high92.1Very high96 Ų9659.5 Ų59.538%0.37633%0.325SS..G310 helixtrans-50.8-43.8-175.1-172.9-87.8000113F71 S75 Y78 Q79 L82F71-Y73 VanDerWaalsContact C-N 3.27Å; F71-Y73 PolarHBondContact O-N 2.91Å; Y73-S75 VanDerWaalsContact C-N 3.33Å; Y73-Y78 HydrophobicContact CD2-CD1 4.18Å; Y73-Y78 AromaticContact CD2-CE1 3.42Å; Y73-Y78 HydrophobicContact CD2-CE1 3.42Å; Y73-Y78 VanDerWaalsContact CD2-CE1 3.42Å; Y73-Y78 AromaticContact CD2-CZ 3.96Å; Y73-Y78 AromaticContact CE2-CE1 3.92Å; Y73-Y78 HydrophobicContact CE2-CE1 3.92Å; Y73-Y78 HydrophobicContact CG-CD1 4.47Å; Y73-Y78 HydrophobicContact CG-CE1 4.11Å; Y73-Q79 PolarHBondContact O-NE2 3.2Å; Y73-L82 HydrophobicContact CE2-CD1 4.39Å
74Y91.4Very high92Very high201 Ų20164.1 Ų64.179%0.78835%0.35SS*.G310 helixtrans-85.2-0.9179.5-66-75.8000113.9D72D72-Y74 VanDerWaalsContact C-N 3.26Å; D72-Y74 PolarHBondContact O-N 2.86Å; D72-Y74 VanDerWaalsContact O-N 3.17Å
75S93.5Very high91.9Very high34 Ų3466.4 Ų66.424%0.23838%0.378CS..SBendtrans-70.2140.7174.481.40000110.6D72 Y73 S77 Y78 Q79D72-S75 WeakPolarHBondContact O-CA 3.49Å; D72-S75 WeakPolarHBondContact O-CB 3.44Å; D72-S75 PolarHBondContact O-N 2.91Å; D72-S75 PolarHBondContact O-OG 2.9Å; Y73-S75 VanDerWaalsContact C-N 3.33Å; S75-S77 PolarHBondContact O-N 2.8Å; S75-S77 VanDerWaalsContact O-N 3.09Å; S75-S77 PolarHBondContact OG-OG 3.05Å; S75-Y78 PolarHBondContact O-N 2.66Å; S75-Y78 WeakPolarHBondContact OG-CB 3.35Å; S75-Y78 PolarHBondContact OG-N 3.26Å; S75-Q79 PolarHBondContact O-N 2.83Å; S75-Q79 VanDerWaalsContact O-N 3.13Å
76A93.4Very high91.7Very high86 Ų8670.5 Ų70.571%0.71140%0.398SS*.Hα-helixtrans-55.5-30.4175.100000112.2Y78 A80A76-Y78 VanDerWaalsContact C-N 3.34Å; A76-Y78 PolarHBondContact O-N 2.86Å; A76-A80 WeakPolarHBondContact O-CB 3.36Å; A76-A80 PolarHBondContact O-N 2.76Å
77S89.9Confident91.6Very high60 Ų6070.6 Ų70.642%0.4240%0.395SS..Hα-helixtrans-74.5-18.7179.4860000114.7K67 S75K67-S77 PolarHBondContact NZ-O 2.72Å; K67-S77 PolarHBondContact NZ-OG 2.97Å; S75-S77 PolarHBondContact O-N 2.8Å; S75-S77 VanDerWaalsContact O-N 3.09Å; S75-S77 PolarHBondContact OG-OG 3.05Å
78Y93.2Very high91.6Very high11 Ų1168.2 Ų68.24%0.04339%0.386CS..Hα-helixtrans-92.2-47.4177.1-171.1-77.6000109.4K67 D72 Y73 S75 A76 A80 A81 L82 P88 S89K67-Y78 HydrophobicContact CB-CD2 4.11Å; K67-Y78 HydrophobicContact CB-CE2 4.45Å; K67-Y78 HydrophobicContact CD-CD2 4.33Å; D72-Y78 HydrophobicContact CB-CD2 4.02Å; D72-Y78 WeakPolarHBondContact O-CB 3.48Å; Y73-Y78 HydrophobicContact CD2-CD1 4.18Å; Y73-Y78 AromaticContact CD2-CE1 3.42Å; Y73-Y78 HydrophobicContact CD2-CE1 3.42Å; Y73-Y78 VanDerWaalsContact CD2-CE1 3.42Å; Y73-Y78 AromaticContact CD2-CZ 3.96Å; Y73-Y78 AromaticContact CE2-CE1 3.92Å; Y73-Y78 HydrophobicContact CE2-CE1 3.92Å; Y73-Y78 HydrophobicContact CG-CD1 4.47Å; Y73-Y78 HydrophobicContact CG-CE1 4.11Å; S75-Y78 PolarHBondContact O-N 2.66Å; S75-Y78 WeakPolarHBondContact OG-CB 3.35Å; S75-Y78 PolarHBondContact OG-N 3.26Å; A76-Y78 VanDerWaalsContact C-N 3.34Å; A76-Y78 PolarHBondContact O-N 2.86Å; Y78-A80 VanDerWaalsContact C-N 3.3Å; Y78-A80 PolarHBondContact O-N 2.79Å; Y78-A81 PolarHBondContact O-N 3.16Å; Y78-A81 VanDerWaalsContact O-N 3.14Å; Y78-L82 HydrophobicContact CD1-CD1 3.85Å; Y78-L82 HydrophobicContact CD1-CG 4.11Å; Y78-L82 HydrophobicContact CE1-CD1 3.66Å; Y78-L82 HydrophobicContact CE1-CD2 4.46Å; Y78-L82 HydrophobicContact CE1-CG 4.04Å; Y78-L82 PolarHBondContact O-N 3.24Å; Y78-P88 HydrophobicContact CD1-CG 3.84Å; Y78-P88 HydrophobicContact CD2-CB 3.81Å; Y78-P88 HydrophobicContact CD2-CG 3.5Å; Y78-P88 HydrophobicContact CE1-CG 3.93Å; Y78-P88 HydrophobicContact CE2-CB 4.13Å; Y78-P88 HydrophobicContact CE2-CG 3.59Å; Y78-P88 HydrophobicContact CG-CB 4.19Å; Y78-P88 HydrophobicContact CG-CG 3.63Å; Y78-S89 PolarHBondContact OH-OG 3.3Å
79Q93.4Very high91.6Very high79 Ų7965.6 Ų65.637%0.36937%0.372SS..Hα-helixtrans-59.1-38.9173.8-66.2-62.2-44.400112.4Y73 S75 L82 S83Y73-Q79 PolarHBondContact O-NE2 3.2Å; S75-Q79 PolarHBondContact O-N 2.83Å; S75-Q79 VanDerWaalsContact O-N 3.13Å; Q79-L82 PolarHBondContact O-N 3.39Å; Q79-S83 WeakPolarHBondContact O-CB 3.46Å; Q79-S83 PolarHBondContact O-N 2.93Å
80A92.5Very high91.7Very high47 Ų4765.3 Ų65.339%0.38837%0.37SS..Hα-helixtrans-62.2-43.3173.700000112.8A76 Y78 S83 L84A76-A80 WeakPolarHBondContact O-CB 3.36Å; A76-A80 PolarHBondContact O-N 2.76Å; Y78-A80 VanDerWaalsContact C-N 3.3Å; Y78-A80 PolarHBondContact O-N 2.79Å; A80-S83 PolarHBondContact O-N 2.83Å; A80-S83 PolarHBondContact O-OG 3.01Å; A80-L84 WeakPolarHBondContact O-CG 3.4Å; A80-L84 PolarHBondContact O-N 3.11Å
81A92Very high91.6Very high14 Ų1468.1 Ų68.112%0.11639%0.385CS..Hα-helixtrans-66-43.2178.200000112Y78 S83 L84 G85 Q86 P88Y78-A81 PolarHBondContact O-N 3.16Å; Y78-A81 VanDerWaalsContact O-N 3.14Å; A81-S83 VanDerWaalsContact C-N 3.29Å; A81-S83 PolarHBondContact O-N 3.46Å; A81-L84 WeakPolarHBondContact O-CB 3.01Å; A81-L84 PolarHBondContact O-N 2.89Å; A81-G85 PolarHBondContact O-N 2.8Å; A81-Q86 PolarHBondContact O-N 2.87Å; A81-Q86 VanDerWaalsContact O-N 3.13Å; A81-P88 HydrophobicContact CB-CB 3.73Å; A81-P88 HydrophobicContact CB-CG 3.91Å
82L92.7Very high91.7Very high67 Ų6764.4 Ų64.435%0.35137%0.373SS..Hα-helixtrans-58.3-40.2171.8-71.4-178.3000112Y73 Y78 Q79 L84 G85 P88Y73-L82 HydrophobicContact CE2-CD1 4.39Å; Y78-L82 HydrophobicContact CD1-CD1 3.85Å; Y78-L82 HydrophobicContact CD1-CG 4.11Å; Y78-L82 HydrophobicContact CE1-CD1 3.66Å; Y78-L82 HydrophobicContact CE1-CD2 4.46Å; Y78-L82 HydrophobicContact CE1-CG 4.04Å; Y78-L82 PolarHBondContact O-N 3.24Å; Q79-L82 PolarHBondContact O-N 3.39Å; L82-L84 PolarHBondContact O-N 2.64Å; L82-G85 PolarHBondContact O-N 2.83Å; L82-P88 HydrophobicContact CD2-CG 4.36Å; L82-P88 HydrophobicContact CG-CG 4.32Å
83S92.8Very high91.7Very high98 Ų9866 Ų6669%0.68538%0.381SS*.Hα-helixtrans-67.3-17.6177.677.90000114Q79 A80 A81Q79-S83 WeakPolarHBondContact O-CB 3.46Å; Q79-S83 PolarHBondContact O-N 2.93Å; A80-S83 PolarHBondContact O-N 2.83Å; A80-S83 PolarHBondContact O-OG 3.01Å; A81-S83 VanDerWaalsContact C-N 3.29Å; A81-S83 PolarHBondContact O-N 3.46Å
84L93.8Very high91.7Very high127 Ų12764.2 Ų64.267%0.66538%0.378SS*.THydrogen-bonded Turntrans-91.80.9172.2-65.1169.8000112.9A80 A81 L82 Q86A80-L84 WeakPolarHBondContact O-CG 3.4Å; A80-L84 PolarHBondContact O-N 3.11Å; A81-L84 WeakPolarHBondContact O-CB 3.01Å; A81-L84 PolarHBondContact O-N 2.89Å; L82-L84 PolarHBondContact O-N 2.64Å; L84-Q86 VanDerWaalsContact C-N 3.32Å
85G91.3Very high91.7Very high75 Ų7561.6 Ų61.677%0.77338%0.378SS*.THydrogen-bonded Turntrans75.116.8-177.300000114.7A81 L82A81-G85 PolarHBondContact O-N 2.8Å; L82-G85 PolarHBondContact O-N 2.83Å
86Q90.9Very high91.5Very high105 Ų10567.2 Ų67.249%0.49140%0.4SS..  trans-96.4152.3176-65.1176.2-21.300110.4A81 L84 P88 D91A81-Q86 PolarHBondContact O-N 2.87Å; A81-Q86 VanDerWaalsContact O-N 3.13Å; L84-Q86 VanDerWaalsContact C-N 3.32Å; Q86-P88 WeakPolarHBondContact O-CD 3.45Å; Q86-D91 WeakPolarHBondContact CA-OD2 3.03Å
87D90.2Very high91.4Very high38 Ų3864.5 Ų64.520%0.20337%0.371CS..  trans-94.395170.5-172-14.1000110.3S89 N90 D91 K162D87-S89 PolarHBondContact O-N 2.83Å; D87-S89 WeakPolarHBondContact OD1-CB 3.4Å; D87-S89 PolarHBondContact OD1-N 2.83Å; D87-S89 PolarHBondContact OD1-OG 2.94Å; D87-N90 PolarHBondContact O-N 2.79Å; D87-D91 PolarHBondContact N-OD2 2.99Å; D87-D91 WeakPolarHBondContact O-CB 3.37Å; D87-D91 PolarHBondContact O-N 2.78Å; D87-K162 IonicContact OD1-NZ 3.25Å; D87-K162 WeakPolarHBondContact OD2-CE 3.38Å; D87-K162 IonicContact OD2-NZ 2.72Å; D87-K162 PolarHBondContact OD2-NZ 3.22Å
88P91.3Very high91.5Very high10 Ų1066.5 Ų66.57%0.06537%0.374CS..THydrogen-bonded Turntrans-59-14.2179.223.3-34.7000114.8C66 K67 Y78 A81 L82 Q86C66-P88 WeakPolarHBondContact CB-O 3.12Å; K67-P88 HydrophobicContact CD-CB 4.18Å; K67-P88 PolarHBondContact N-O 2.93Å; Y78-P88 HydrophobicContact CD1-CG 3.84Å; Y78-P88 HydrophobicContact CD2-CB 3.81Å; Y78-P88 HydrophobicContact CD2-CG 3.5Å; Y78-P88 HydrophobicContact CE1-CG 3.93Å; Y78-P88 HydrophobicContact CE2-CB 4.13Å; Y78-P88 HydrophobicContact CE2-CG 3.59Å; Y78-P88 HydrophobicContact CG-CB 4.19Å; Y78-P88 HydrophobicContact CG-CG 3.63Å; A81-P88 HydrophobicContact CB-CB 3.73Å; A81-P88 HydrophobicContact CB-CG 3.91Å; L82-P88 HydrophobicContact CD2-CG 4.36Å; L82-P88 HydrophobicContact CG-CG 4.32Å; Q86-P88 WeakPolarHBondContact O-CD 3.45Å
89S90.3Very high91.6Very high0 Ų069.3 Ų69.30%039%0.392CS..THydrogen-bonded Turntrans-78.5-24.1176.6-16.70000112.5C66 Y78 D87C66-S89 PolarHBondContact N-O 3.03Å; Y78-S89 PolarHBondContact OH-OG 3.3Å; D87-S89 PolarHBondContact O-N 2.83Å; D87-S89 WeakPolarHBondContact OD1-CB 3.4Å; D87-S89 PolarHBondContact OD1-N 2.83Å; D87-S89 PolarHBondContact OD1-OG 2.94Å
90N91.6Very high91.6Very high11 Ų1169 Ų696%0.05939%0.388CS..THydrogen-bonded Turntrans-131.9-26.4-168.3-163.326.7000115C66 D87 C92 R97 V142 Y144C66-N90 PolarHBondContact SG-O 2.96Å; D87-N90 PolarHBondContact O-N 2.79Å; N90-C92 PolarHBondContact O-N 2.92Å; N90-R97 PolarHBondContact O-NH1 2.88Å; N90-R97 VanDerWaalsContact O-NH1 3.16Å; N90-R97 PolarHBondContact O-NH2 2.81Å; N90-R97 PolarHBondContact OD1-NH1 2.78Å; N90-V142 HydrophobicContact CB-CG2 4.47Å; N90-Y144 PolarHBondContact ND2-OH 3.15Å; N90-Y144 PolarHBondContact OD1-OH 3.3Å
91D90.1Very high91.6Very high103 Ų10370.7 Ų70.755%0.55139%0.389SS*.  trans-80.255.7-175.4-66.3-11.8000112.5Q86 D87Q86-D91 WeakPolarHBondContact CA-OD2 3.03Å; D87-D91 PolarHBondContact N-OD2 2.99Å; D87-D91 WeakPolarHBondContact O-CB 3.37Å; D87-D91 PolarHBondContact O-N 2.78Å
92C89.8Confident91.8Very high32 Ų3270 Ų7022%0.21638%0.384CS..SBendtrans-125.5160.9169.171.50000112.2C66 N90 R97C66-C92 HydrophobicContact CB-CB 3.58Å; C66-C92 WeakPolarHBondContact CB-SG 3.47Å; C66-C92 WeakPolarHBondContact SG-CB 3.14Å; C66-C92 PolarHBondContact SG-N 2.98Å; C66-C92 VanDerWaalsContact SG-N 3.35Å; C66-C92 CovalentContact SG-SG 2.03Å; C66-C92 PolarHBondContact SG-SG 2.93Å; N90-C92 PolarHBondContact O-N 2.92Å; C92-R97 PolarHBondContact O-NH2 3Å
93N92.1Very high91.9Very high93 Ų9366.8 Ų66.850%0.49737%0.367SS..  trans-67.6136.6178.1-176.813.8000110.3N95 Q96N93-N95 PolarHBondContact O-N 3Å; N93-N95 VanDerWaalsContact O-N 3.09Å; N93-Q96 HydrophobicContact CB-CG 4.43Å; N93-Q96 WeakPolarHBondContact O-CB 3.3Å; N93-Q96 PolarHBondContact O-N 2.93Å
94D90.1Very high92Very high58 Ų5865.8 Ų65.831%0.3135%0.352SS..G310 helixtrans-58.2-27180-77.5-0.8000112.8K63 Q96 R97 V99K63-D94 VanDerWaalsContact NZ-CG 3.25Å; K63-D94 IonicContact NZ-OD1 3.74Å; K63-D94 PolarHBondContact NZ-OD1 2.96Å; K63-D94 IonicContact NZ-OD2 3Å; K63-D94 PolarHBondContact NZ-OD2 3.23Å; D94-Q96 PolarHBondContact O-N 2.79Å; D94-Q96 VanDerWaalsContact O-N 3.14Å; D94-R97 PolarHBondContact O-N 2.03Å; D94-R97 IonicContact OD1-CZ 3.72Å; D94-R97 VanDerWaalsContact OD1-CZ 3.25Å; D94-R97 IonicContact OD1-NE 3.8Å; D94-R97 PolarHBondContact OD1-NE 3.25Å; D94-R97 IonicContact OD1-NH2 2.79Å; D94-R97 PolarHBondContact OD1-NH2 2.68Å; D94-V99 HydrophobicContact CB-CG2 4.12Å
95N91.1Very high91.9Very high146 Ų14662 Ų6278%0.78133%0.329SS*.G310 helixtrans-65.1-11.5173.4-60.9-9.6000114.6N93N93-N95 PolarHBondContact O-N 3Å; N93-N95 VanDerWaalsContact O-N 3.09Å
96Q89.8Confident92Very high151 Ų15165 Ų6571%0.70632%0.316SS*.G310 helixtrans-102.1-3.2-179.9-63.1177.2-50.500113N93 D94N93-Q96 HydrophobicContact CB-CG 4.43Å; N93-Q96 WeakPolarHBondContact O-CB 3.3Å; N93-Q96 PolarHBondContact O-N 2.93Å; D94-Q96 PolarHBondContact O-N 2.79Å; D94-Q96 VanDerWaalsContact O-N 3.14Å
97R91.4Very high91.8Very high29 Ų2960.6 Ų60.611%0.10930%0.299CS..SBendtrans-134162-175.254.1173.5173.7-165.5-11.3112S64 N90 C92 D94 V99S64-R97 VanDerWaalsContact O-CD 3.29Å; S64-R97 WeakPolarHBondContact O-CD 3.45Å; S64-R97 WeakPolarHBondContact OG-CB 3.36Å; N90-R97 PolarHBondContact O-NH1 2.88Å; N90-R97 VanDerWaalsContact O-NH1 3.16Å; N90-R97 PolarHBondContact O-NH2 2.81Å; N90-R97 PolarHBondContact OD1-NH1 2.78Å; C92-R97 PolarHBondContact O-NH2 3Å; D94-R97 PolarHBondContact O-N 2.03Å; D94-R97 IonicContact OD1-CZ 3.72Å; D94-R97 VanDerWaalsContact OD1-CZ 3.25Å; D94-R97 IonicContact OD1-NE 3.8Å; D94-R97 PolarHBondContact OD1-NE 3.25Å; D94-R97 IonicContact OD1-NH2 2.79Å; D94-R97 PolarHBondContact OD1-NH2 2.68Å; R97-V99 HydrophobicContact CG-CG2 4.41Å
98E91.3Very high91.5Very high103 Ų10365.5 Ų65.548%0.48132%0.321SS..  trans-78.6127173.7-61-163.8122.300109.8K63 S64 R100K63-E98 CarbonylContact C-O 3.37Å; K63-E98 VanDerWaalsContact CA-O 3.29Å; K63-E98 WeakPolarHBondContact CA-O 3.44Å; S64-E98 PolarHBondContact N-O 2.7Å; S64-E98 PolarHBondContact OG-N 2.9Å; E98-R100 IonicContact OE1-CZ 2.76Å; E98-R100 IonicContact OE1-NH1 2.64Å; E98-R100 IonicContact OE1-NH2 3.74Å; E98-R100 PolarHBondContact OE1-NH2 3.34Å; E98-R100 IonicContact OE2-CZ 3.8Å; E98-R100 IonicContact OE2-NH1 3.91Å; E98-R100 PolarHBondContact OE2-NH1 2.83Å; E98-R100 IonicContact OE2-NH2 3.95Å; E98-R100 PolarHBondContact OE2-NH2 3.43Å; E98-R100 VanDerWaalsContact OE2-NH2 3.16Å
99V94.4Very high91.2Very high70 Ų7069.8 Ų69.842%0.42434%0.343SS..EExtended strand (participates in β ladder)trans-119.8123.4174.4-1780000109.3F62 K63 D94 R97F62-V99 CarbonylContact O-C 3.52Å; F62-V99 WeakPolarHBondContact O-CA 3.37Å; K63-V99 HydrophobicContact CB-CG2 4.49Å; K63-V99 HydrophobicContact CD-CG2 4.17Å; K63-V99 HydrophobicContact CG-CG1 4.28Å; K63-V99 HydrophobicContact CG-CG2 4.06Å; D94-V99 HydrophobicContact CB-CG2 4.12Å; R97-V99 HydrophobicContact CG-CG2 4.41Å
100R93.9Very high91.1Very high71 Ų7177.6 Ų77.627%0.26838%0.38SS..EExtended strand (participates in β ladder)trans-133145.6-177.9-64.8-179174.2100.412.8111R61 F62 E98 D116 Y117R61-R100 CarbonylContact C-O 3.55Å; R61-R100 WeakPolarHBondContact CA-O 3.34Å; F62-R100 HydrophobicContact CB-CB 4.48Å; F62-R100 HydrophobicContact CD1-CB 4.42Å; F62-R100 PolarHBondContact N-O 3.04Å; F62-R100 PolarHBondContact O-N 3Å; E98-R100 IonicContact OE1-CZ 2.76Å; E98-R100 IonicContact OE1-NH1 2.64Å; E98-R100 IonicContact OE1-NH2 3.74Å; E98-R100 PolarHBondContact OE1-NH2 3.34Å; E98-R100 IonicContact OE2-CZ 3.8Å; E98-R100 IonicContact OE2-NH1 3.91Å; E98-R100 PolarHBondContact OE2-NH1 2.83Å; E98-R100 IonicContact OE2-NH2 3.95Å; E98-R100 PolarHBondContact OE2-NH2 3.43Å; E98-R100 VanDerWaalsContact OE2-NH2 3.16Å; R100-D116 VanDerWaalsContact CD-OD2 3.25Å; R100-D116 WeakPolarHBondContact CD-OD2 3.36Å; R100-D116 IonicContact NE-OD2 3.63Å; R100-D116 PolarHBondContact NE-OD2 2.84Å; R100-Y117 HydrophobicContact CB-CE2 4.07Å
101I93.8Very high91Very high83 Ų8379 Ų7943%0.42639%0.39SS..EExtended strand (participates in β ladder)trans-83.5125.3166.5-60.9174.8000107.5T59 G114T59-I101 HydrophobicContact CG2-CG2 3.86Å; I101-G114 WeakPolarHBondContact O-CA 3.47Å
102V94.9Very high91.1Very high0 Ų078.5 Ų78.50%039%0.39CS..EExtended strand (participates in β ladder)trans-87.4-56.5-179.1-175.50000110W60 F62 G114 Y117 I122 L130 Y143W60-V102 HydrophobicContact CB-CB 4.41Å; W60-V102 PolarHBondContact O-N 2.86Å; F62-V102 HydrophobicContact CB-CG2 3.5Å; F62-V102 VanDerWaalsContact CB-CG2 3.5Å; V102-G114 PolarHBondContact O-N 3.23Å; V102-Y117 HydrophobicContact CB-CD2 4.41Å; V102-Y117 HydrophobicContact CB-CE2 4.34Å; V102-Y117 HydrophobicContact CG1-CD1 4.3Å; V102-Y117 HydrophobicContact CG1-CD2 4.33Å; V102-Y117 HydrophobicContact CG1-CE1 4.42Å; V102-Y117 HydrophobicContact CG1-CE2 4.45Å; V102-Y117 HydrophobicContact CG1-CG 4.24Å; V102-Y117 HydrophobicContact CG2-CE2 4.02Å; V102-I122 HydrophobicContact CG1-CD1 4.27Å; V102-I122 HydrophobicContact CG1-CG2 4.07Å; V102-L130 HydrophobicContact CG1-CD1 4.46Å; V102-L130 HydrophobicContact CG1-CD2 4.28Å; V102-Y143 HydrophobicContact CG2-CD1 4.29Å; V102-Y143 HydrophobicContact CG2-CE1 3.95Å
103A94.9Very high91.3Very high0 Ų078.7 Ų78.70%039%0.388CS..EExtended strand (participates in β ladder)trans-151148.8-179.600000110.3W60 V112 L113 I124 L130W60-A103 PolarHBondContact N-O 3.49Å; A103-V112 CarbonylContact C-O 3.57Å; A103-V112 WeakPolarHBondContact CA-O 3.44Å; A103-L113 HydrophobicContact CB-CD2 4.14Å; A103-I124 HydrophobicContact CB-CD1 3.65Å; A103-I124 HydrophobicContact CB-CG1 3.9Å; A103-L130 HydrophobicContact CB-CD1 4.1Å
104Q94.8Very high91.3Very high77 Ų7774.9 Ų74.936%0.3637%0.371SS..EExtended strand (participates in β ladder)trans-134.8132.8176.3-174.6172.657.800109.8V57 V58 T59 V112V57-Q104 HydrophobicContact CG1-CG 3.73Å; V58-Q104 CarbonylContact O-C 3.55Å; V58-Q104 WeakPolarHBondContact O-CA 3.29Å; T59-Q104 HydrophobicContact CG2-CB 4.33Å; T59-Q104 HydrophobicContact CG2-CG 4.36Å; T59-Q104 PolarHBondContact OG1-NE2 3.24Å; Q104-V112 PolarHBondContact N-O 3.36Å; Q104-V112 PolarHBondContact O-N 3.33Å
105R92.9Very high91.3Very high48 Ų4877 Ų7718%0.18139%0.386CS..EExtended strand (participates in β ladder)trans-127.5123.1179.3-179.2-177.7-175.6139.316.4109.3V57 V58 G107 Q108 N109 I124V57-R105 WeakPolarHBondContact CA-O 3.36Å; V58-R105 PolarHBondContact N-O 2.88Å; V58-R105 PolarHBondContact O-N 3.14Å; R105-G107 PolarHBondContact NE-O 3.09Å; R105-Q108 PolarHBondContact NH2-O 3.19Å; R105-Q108 VanDerWaalsContact NH2-O 3.09Å; R105-N109 PolarHBondContact NE-O 2.79Å; R105-N109 PolarHBondContact NH2-O 3.45Å; R105-I124 HydrophobicContact CB-CB 4.41Å; R105-I124 HydrophobicContact CB-CD1 3.82Å; R105-I124 HydrophobicContact CB-CG2 4.41Å; R105-I124 PolarHBondContact NH1-O 3.35Å
106R92.1Very high91.2Very high137 Ų13774.4 Ų74.452%0.51737%0.372SS..EExtended strand (participates in β ladder)trans-99.2109.1172.3-177.8167.6176.9179.5-1.6110.2D55 V57 Q108 N109D55-R106 IonicContact OD1-CZ 3.55Å; D55-R106 IonicContact OD1-NE 3.55Å; D55-R106 IonicContact OD1-NH2 2.71Å; D55-R106 PolarHBondContact OD1-NH2 2.74Å; V57-R106 HydrophobicContact CG2-CB 4.16Å; V57-R106 HydrophobicContact CG2-CG 3.91Å; R106-Q108 PolarHBondContact O-N 2.88Å; R106-N109 WeakPolarHBondContact O-CB 3.45Å; R106-N109 PolarHBondContact O-N 2.92Å; R106-N109 PolarHBondContact O-ND2 3.05Å
107G86.3Confident91.2Very high12 Ų1267.4 Ų67.412%0.12434%0.339CS..THydrogen-bonded Turntrans52.9-126.9-178.800000112.6L53 Q54 V56 R105L53-G107 WeakPolarHBondContact O-CA 3.29Å; Q54-G107 WeakPolarHBondContact O-CA 3.41Å; V56-G107 PolarHBondContact O-N 2.99Å; R105-G107 PolarHBondContact NE-O 3.09Å
108Q84.1Confident91.1Very high141 Ų14174.1 Ų74.166%0.65936%0.364SS*.THydrogen-bonded Turntrans-84.7-7.4-177.1-68-178.6-20.500114.3R105 R106R105-Q108 PolarHBondContact NH2-O 3.19Å; R105-Q108 VanDerWaalsContact NH2-O 3.09Å; R106-Q108 PolarHBondContact O-N 2.88Å
109N86.8Confident91Very high101 Ų10178.8 Ų78.854%0.5439%0.386SS..SBendtrans-62.1169.2-179.3-58.9-54.5000113.1R105 R106R105-N109 PolarHBondContact NE-O 2.79Å; R105-N109 PolarHBondContact NH2-O 3.45Å; R106-N109 WeakPolarHBondContact O-CB 3.45Å; R106-N109 PolarHBondContact O-N 2.92Å; R106-N109 PolarHBondContact O-ND2 3.05Å
110E86.8Confident90.8Very high164 Ų16478.1 Ų78.177%0.76638%0.376SS*.PPolyproline II helixtrans-62.4147.8174.363.4-177.3177.100112.5V112E110-V112 PolarHBondContact O-N 3.48Å
111P90.7Very high90.7Very high41 Ų4180.8 Ų80.827%0.26639%0.39SS..PPolyproline II helixtrans-76.3120178.830.6-33.5000111.1I124P111-I124 HydrophobicContact CB-CB 4.14Å; P111-I124 HydrophobicContact CB-CD1 4.43Å; P111-I124 HydrophobicContact CB-CG1 4.35Å
112V92.2Very high90.8Very high91 Ų9177.1 Ų77.155%0.55237%0.371SS*.EExtended strand (participates in β ladder)trans-82.9122.5175.1-177.50000109.3A103 Q104 E110A103-V112 CarbonylContact C-O 3.57Å; A103-V112 WeakPolarHBondContact CA-O 3.44Å; Q104-V112 PolarHBondContact N-O 3.36Å; Q104-V112 PolarHBondContact O-N 3.33Å; E110-V112 PolarHBondContact O-N 3.48Å
113L93.6Very high90.7Very high36 Ų3679.3 Ų79.319%0.18838%0.384CS..EExtended strand (participates in β ladder)trans-81.3140.8176.9-74163.3000111.9A103 R118 I122A103-L113 HydrophobicContact CB-CD2 4.14Å; L113-R118 HydrophobicContact CB-CG 4.46Å; L113-I122 HydrophobicContact CD2-CB 3.81Å; L113-I122 HydrophobicContact CD2-CG2 4.06Å
114G91.4Very high90.7Very high13 Ų1379.5 Ų79.513%0.13439%0.385CS..PPolyproline II helixtrans-61.9156.6171.100000111.9I101 V102 D116 Y117 R118I101-G114 WeakPolarHBondContact O-CA 3.47Å; V102-G114 PolarHBondContact O-N 3.23Å; G114-D116 VanDerWaalsContact C-N 3.28Å; G114-D116 PolarHBondContact O-N 3.35Å; G114-Y117 PolarHBondContact O-N 2.79Å; G114-R118 WeakPolarHBondContact O-CG 3.33Å; G114-R118 PolarHBondContact O-N 3.47Å
115V90.5Very high90.5Very high102 Ų10280 Ų8062%0.61839%0.388SS*.G310 helixtrans-52.5-42.7-170.2-71.60000113.5Y117V115-Y117 VanDerWaalsContact C-N 3.27Å; V115-Y117 PolarHBondContact O-N 2.8Å
116D89.4Confident90.2Very high92 Ų9282.9 Ų82.949%0.49241%0.407SS..G310 helixtrans-73-17.2-178.7-49-47.6000113.6R100 G114R100-D116 VanDerWaalsContact CD-OD2 3.25Å; R100-D116 WeakPolarHBondContact CD-OD2 3.36Å; R100-D116 IonicContact NE-OD2 3.63Å; R100-D116 PolarHBondContact NE-OD2 2.84Å; G114-D116 VanDerWaalsContact C-N 3.28Å; G114-D116 PolarHBondContact O-N 3.35Å
117Y89.9Confident89.8Confident4 Ų484.2 Ų84.22%0.01641%0.412CS..G310 helixtrans-110.8-1.8-172.3-61.8-83.2000113.7R100 V102 G114 V115 Q119 R120 I122R100-Y117 HydrophobicContact CB-CE2 4.07Å; V102-Y117 HydrophobicContact CB-CD2 4.41Å; V102-Y117 HydrophobicContact CB-CE2 4.34Å; V102-Y117 HydrophobicContact CG1-CD1 4.3Å; V102-Y117 HydrophobicContact CG1-CD2 4.33Å; V102-Y117 HydrophobicContact CG1-CE1 4.42Å; V102-Y117 HydrophobicContact CG1-CE2 4.45Å; V102-Y117 HydrophobicContact CG1-CG 4.24Å; V102-Y117 HydrophobicContact CG2-CE2 4.02Å; G114-Y117 PolarHBondContact O-N 2.79Å; V115-Y117 VanDerWaalsContact C-N 3.27Å; V115-Y117 PolarHBondContact O-N 2.8Å; Y117-Q119 PolarHBondContact O-N 2.77Å; Y117-R120 HydrophobicContact CD1-CG 4.38Å; Y117-R120 WeakPolarHBondContact O-CB 3.31Å; Y117-R120 PolarHBondContact O-N 2.68Å; Y117-I122 HydrophobicContact CD1-CD1 3.66Å; Y117-I122 HydrophobicContact CE1-CD1 4.39Å; Y117-I122 HydrophobicContact CG-CD1 4.39Å
118R88.4Confident90.2Very high170 Ų17083.6 Ų83.664%0.64241%0.406SS*.THydrogen-bonded Turntrans-55.9-26-176.2-69.2-175.6174.5-178.4-0.9115.6L113 G114L113-R118 HydrophobicContact CB-CG 4.46Å; G114-R118 WeakPolarHBondContact O-CG 3.33Å; G114-R118 PolarHBondContact O-N 3.47Å
119Q90Very high90.7Very high201 Ų20177.4 Ų77.494%0.93938%0.377SS*.THydrogen-bonded Turntrans-94.11.1179-66.4180-15.700113.3Y117Y117-Q119 PolarHBondContact O-N 2.77Å
120R90.3Very high91.1Very high57 Ų5772.6 Ų72.622%0.21535%0.351CS..SBendtrans-97.8151.4-177.8-57.9-86.1-165.27833.8111.6Y117 I122 W138 D139Y117-R120 HydrophobicContact CD1-CG 4.38Å; Y117-R120 WeakPolarHBondContact O-CB 3.31Å; Y117-R120 PolarHBondContact O-N 2.68Å; R120-I122 HydrophobicContact CB-CD1 3.79Å; R120-I122 HydrophobicContact CB-CG1 3.84Å; R120-I122 HydrophobicContact CG-CD1 4.23Å; R120-I122 PolarHBondContact O-N 2.8Å; R120-W138 VanDerWaalsContact NH1-NE1 3.1Å; R120-D139 IonicContact CZ-OD1 3.33Å; R120-D139 VanDerWaalsContact NH1-CG 3.32Å; R120-D139 IonicContact NH1-OD1 3.66Å; R120-D139 PolarHBondContact NH1-OD1 3.21Å; R120-D139 IonicContact NH1-OD2 2.67Å; R120-D139 PolarHBondContact NH1-OD2 2.98Å; R120-D139 IonicContact NH2-OD1 2.86Å
121K91.9Very high91.5Very high126 Ų12665.2 Ų65.255%0.54832%0.317SS..  trans-80.965.9171.1-59.5171.1-165.4159.50110.7N133 E134K121-N133 HydrophobicContact CB-CB 4.06Å; K121-N133 WeakPolarHBondContact O-CB 3.36Å; K121-N133 PolarHBondContact O-N 3.49Å; K121-N133 PolarHBondContact O-ND2 2.8Å; K121-E134 WeakPolarHBondContact CD-OE1 3.21Å; K121-E134 WeakPolarHBondContact CE-OE1 3.41Å; K121-E134 IonicContact NZ-OE1 3.46Å; K121-E134 PolarHBondContact NZ-OE1 2.96Å; K121-E134 IonicContact NZ-OE2 3.16Å
122I93.9Very high91.7Very high6 Ų663.3 Ų63.33%0.03131%0.305CS..EExtended strand (participates in β ladder)trans-114137.9177.5-60.9172.7000108.9V102 L113 Y117 R120 L130 V131 I132V102-I122 HydrophobicContact CG1-CD1 4.27Å; V102-I122 HydrophobicContact CG1-CG2 4.07Å; L113-I122 HydrophobicContact CD2-CB 3.81Å; L113-I122 HydrophobicContact CD2-CG2 4.06Å; Y117-I122 HydrophobicContact CD1-CD1 3.66Å; Y117-I122 HydrophobicContact CE1-CD1 4.39Å; Y117-I122 HydrophobicContact CG-CD1 4.39Å; R120-I122 HydrophobicContact CB-CD1 3.79Å; R120-I122 HydrophobicContact CB-CG1 3.84Å; R120-I122 HydrophobicContact CG-CD1 4.23Å; R120-I122 PolarHBondContact O-N 2.8Å; I122-L130 HydrophobicContact CG2-CD1 3.72Å; I122-L130 HydrophobicContact CG2-CG 4.41Å; I122-V131 CarbonylContact C-O 3.59Å; I122-V131 WeakPolarHBondContact CA-O 3.41Å; I122-I132 HydrophobicContact CD1-CG1 4.27Å; I122-I132 HydrophobicContact CD1-CG2 4.34Å; I122-I132 HydrophobicContact CG1-CB 4.33Å; I122-I132 HydrophobicContact CG1-CG1 4.1Å; I122-I132 HydrophobicContact CG1-CG2 4.1Å; I122-I132 HydrophobicContact CG2-CG1 4.15Å
123T93.1Very high91.8Very high46 Ų4662.3 Ų62.328%0.28230%0.296SS..EExtended strand (participates in β ladder)trans-145.3157.7-176.958.50000112.1Q125 V131T123-Q125 PolarHBondContact OG1-NE2 2.03Å; T123-V131 PolarHBondContact N-O 2.83Å; T123-V131 PolarHBondContact O-N 2.89Å
124I94.7Very high91.8Very high4 Ų464.1 Ų64.12%0.02130%0.304CS..EExtended strand (participates in β ladder)trans-106.6115.2169.8-60.8168.3000109.2A103 R105 P111 D129 L130A103-I124 HydrophobicContact CB-CD1 3.65Å; A103-I124 HydrophobicContact CB-CG1 3.9Å; R105-I124 HydrophobicContact CB-CB 4.41Å; R105-I124 HydrophobicContact CB-CD1 3.82Å; R105-I124 HydrophobicContact CB-CG2 4.41Å; R105-I124 PolarHBondContact NH1-O 3.35Å; P111-I124 HydrophobicContact CB-CB 4.14Å; P111-I124 HydrophobicContact CB-CD1 4.43Å; P111-I124 HydrophobicContact CB-CG1 4.35Å; I124-D129 CarbonylContact C-O 3.53Å; I124-D129 VanDerWaalsContact CA-O 3.32Å; I124-D129 WeakPolarHBondContact CA-O 3.29Å; I124-L130 HydrophobicContact CG1-CD1 4.06Å
125Q91.2Very high91.9Very high88 Ų8863.5 Ų63.541%0.41130%0.298SS..EExtended strand (participates in β ladder)trans-106.9-179.3-179.4-57.9-172.816.700110.4T123 R127 A128 D129 V131T123-Q125 PolarHBondContact OG1-NE2 2.03Å; Q125-R127 CarbonylContact O-C 3.57Å; Q125-R127 PolarHBondContact O-N 3.07Å; Q125-A128 PolarHBondContact O-N 2.88Å; Q125-A128 VanDerWaalsContact O-N 3.11Å; Q125-D129 PolarHBondContact N-O 3.43Å; Q125-D129 PolarHBondContact O-N 3.16Å; Q125-V131 HydrophobicContact CB-CG2 4.11Å; Q125-V131 VanDerWaalsContact CD-CG2 3.5Å; Q125-V131 HydrophobicContact CG-CG2 3.75Å
126N86.1Confident92Very high109 Ų10960.4 Ų60.458%0.58328%0.277SS*.THydrogen-bonded Turntrans3657168.5-53.7-26.8000115.9A128 D129N126-A128 PolarHBondContact O-N 2.9Å; N126-D129 HydrophobicContact CB-CB 4.13Å; N126-D129 WeakPolarHBondContact CB-OD2 3.41Å; N126-D129 PolarHBondContact ND2-OD2 3.46Å
127R85.2Confident92.1Very high164 Ų16464 Ų6462%0.61928%0.284SS*.THydrogen-bonded Turntrans67.3-60-169.8-43.3174.1-171.6170.94.5113.8Y47 Q125Y47-R127 HydrophobicContact CE1-CB 3.96Å; Q125-R127 CarbonylContact O-C 3.57Å; Q125-R127 PolarHBondContact O-N 3.07Å
128A93.1Very high92.1Very high0 Ų068.5 Ų68.50%030%0.301CS..THydrogen-bonded Turntrans-140.9-0.1-174.400000116.5C45 Y47 V58 W60 Q125 N126 L130C45-A128 HydrophobicContact CB-CB 4.15Å; C45-A128 WeakPolarHBondContact O-CB 3.44Å; Y47-A128 HydrophobicContact CD1-CB 3.87Å; Y47-A128 HydrophobicContact CE1-CB 3.89Å; V58-A128 HydrophobicContact CG1-CB 3.65Å; V58-A128 HydrophobicContact CG2-CB 4.06Å; W60-A128 WeakPolarHBondContact CZ2-O 3.45Å; W60-A128 PolarHBondContact NE1-O 3.07Å; Q125-A128 PolarHBondContact O-N 2.88Å; Q125-A128 VanDerWaalsContact O-N 3.11Å; N126-A128 PolarHBondContact O-N 2.9Å; A128-L130 PolarHBondContact O-N 2.87Å
129D95.2Very high92.4Very high10 Ų1060.4 Ų60.45%0.05327%0.27CS..EExtended strand (participates in β ladder)trans-59.5122.7176.5-77.7-9.9000112V42 K44 C45 I124 Q125 N126V42-D129 HydrophobicContact CG1-CB 4Å; K44-D129 WeakPolarHBondContact CA-OD1 3Å; C45-D129 PolarHBondContact N-OD1 3.38Å; I124-D129 CarbonylContact C-O 3.53Å; I124-D129 VanDerWaalsContact CA-O 3.32Å; I124-D129 WeakPolarHBondContact CA-O 3.29Å; Q125-D129 PolarHBondContact N-O 3.43Å; Q125-D129 PolarHBondContact O-N 3.16Å; N126-D129 HydrophobicContact CB-CB 4.13Å; N126-D129 WeakPolarHBondContact CB-OD2 3.41Å; N126-D129 PolarHBondContact ND2-OD2 3.46Å
130L95.1Very high92.5Very high0 Ų052 Ų520%023%0.231CC..EExtended strand (participates in β ladder)trans-87.1122.3173.3-174.571.2000110.5V42 L43 W60 V102 A103 I122 I124 A128 I132 Y143V42-L130 CarbonylContact C-O 3.51Å; V42-L130 WeakPolarHBondContact CA-O 3.43Å; L43-L130 HydrophobicContact CB-CB 4.35Å; L43-L130 HydrophobicContact CD1-CD2 4.28Å; L43-L130 PolarHBondContact N-O 2.83Å; L43-L130 PolarHBondContact O-N 2.77Å; W60-L130 HydrophobicContact CB-CD1 4.34Å; W60-L130 HydrophobicContact CB-CD2 4.2Å; W60-L130 HydrophobicContact CD2-CB 3.8Å; W60-L130 HydrophobicContact CD2-CD2 3.98Å; W60-L130 HydrophobicContact CD2-CG 4.37Å; W60-L130 HydrophobicContact CE3-CB 4.39Å; W60-L130 HydrophobicContact CE3-CD2 4.11Å; W60-L130 HydrophobicContact CG-CB 4.08Å; W60-L130 HydrophobicContact CG-CD1 4.13Å; W60-L130 HydrophobicContact CG-CD2 4.05Å; W60-L130 HydrophobicContact CG-CG 4.32Å; W60-L130 HydrophobicContact CH2-CB 4.38Å; W60-L130 HydrophobicContact CZ2-CB 3.81Å; V102-L130 HydrophobicContact CG1-CD1 4.46Å; V102-L130 HydrophobicContact CG1-CD2 4.28Å; A103-L130 HydrophobicContact CB-CD1 4.1Å; I122-L130 HydrophobicContact CG2-CD1 3.72Å; I122-L130 HydrophobicContact CG2-CG 4.41Å; I124-L130 HydrophobicContact CG1-CD1 4.06Å; A128-L130 PolarHBondContact O-N 2.87Å; L130-I132 HydrophobicContact CD2-CD1 4.22Å; L130-I132 HydrophobicContact CD2-CG1 4.36Å; L130-I132 HydrophobicContact CG-CG1 4.35Å; L130-Y143 HydrophobicContact CD2-CD1 3.75Å; L130-Y143 HydrophobicContact CD2-CE1 3.98Å
131V95.3Very high92.8Very high9 Ų949.2 Ų49.26%0.05522%0.22CC..EExtended strand (participates in β ladder)trans-111.3117.3177.9-1750000110V41 V42 I122 T123 Q125V41-V131 WeakPolarHBondContact O-CA 3Å; V42-V131 HydrophobicContact CG1-CG2 4.14Å; V42-V131 HydrophobicContact CG2-CG1 4.31Å; V42-V131 HydrophobicContact CG2-CG2 3.98Å; I122-V131 CarbonylContact C-O 3.59Å; I122-V131 WeakPolarHBondContact CA-O 3.41Å; T123-V131 PolarHBondContact N-O 2.83Å; T123-V131 PolarHBondContact O-N 2.89Å; Q125-V131 HydrophobicContact CB-CG2 4.11Å; Q125-V131 VanDerWaalsContact CD-CG2 3.5Å; Q125-V131 HydrophobicContact CG-CG2 3.75Å
132I95.6Very high92.9Very high1 Ų143.2 Ų43.21%0.00519%0.194CC..EExtended strand (participates in β ladder)trans-109.7110.7174.2-57.6169.9000106.7S40 V41 I122 L130 V135 Y143 L163S40-I132 CarbonylContact C-O 3.59Å; S40-I132 VanDerWaalsContact CA-O 3.31Å; S40-I132 WeakPolarHBondContact CA-O 3.47Å; V41-I132 HydrophobicContact CG1-CB 3.96Å; V41-I132 HydrophobicContact CG1-CD1 4.35Å; V41-I132 PolarHBondContact N-O 3.43Å; V41-I132 PolarHBondContact O-N 3.41Å; I122-I132 HydrophobicContact CD1-CG1 4.27Å; I122-I132 HydrophobicContact CD1-CG2 4.34Å; I122-I132 HydrophobicContact CG1-CB 4.33Å; I122-I132 HydrophobicContact CG1-CG1 4.1Å; I122-I132 HydrophobicContact CG1-CG2 4.1Å; I122-I132 HydrophobicContact CG2-CG1 4.15Å; L130-I132 HydrophobicContact CD2-CD1 4.22Å; L130-I132 HydrophobicContact CD2-CG1 4.36Å; L130-I132 HydrophobicContact CG-CG1 4.35Å; I132-V135 HydrophobicContact CB-CG2 4.25Å; I132-V135 HydrophobicContact CG2-CG2 3.76Å; I132-Y143 HydrophobicContact CD1-CE1 3.94Å; I132-L163 HydrophobicContact CD1-CD2 4.2Å
133N93.4Very high93Very high70 Ų7043 Ų4337%0.37419%0.193SC..SBendtrans-78.3-25.9-174.7-68.1-69.1000113.8S40 K121S40-N133 WeakPolarHBondContact CA-O 3.22Å; S40-N133 WeakPolarHBondContact CB-O 3.32Å; K121-N133 HydrophobicContact CB-CB 4.06Å; K121-N133 WeakPolarHBondContact O-CB 3.36Å; K121-N133 PolarHBondContact O-N 3.49Å; K121-N133 PolarHBondContact O-ND2 2.8Å
134E93.8Very high93.1Very high74 Ų7442.2 Ų42.235%0.34619%0.185SC..SBendtrans-135.286.6-173.8-70.6168.2-172.700108.6K121 M136K121-E134 WeakPolarHBondContact CD-OE1 3.21Å; K121-E134 WeakPolarHBondContact CE-OE1 3.41Å; K121-E134 IonicContact NZ-OE1 3.46Å; K121-E134 PolarHBondContact NZ-OE1 2.96Å; K121-E134 IonicContact NZ-OE2 3.16Å; E134-M136 HydrophobicContact CB-CE 4.36Å
135V94.1Very high93.2Very high0 Ų042 Ų420%018%0.184CC..  trans-74.3131.1-179.11720000111.2V35 F38 A39 V41 I132 V165V35-V135 HydrophobicContact CG1-CB 4.3Å; V35-V135 HydrophobicContact CG1-CG1 4.29Å; V35-V135 HydrophobicContact CG1-CG2 4.16Å; F38-V135 PolarHBondContact N-O 3.15Å; A39-V135 WeakPolarHBondContact O-CB 3.43Å; A39-V135 WeakPolarHBondContact O-CG2 3.32Å; A39-V135 PolarHBondContact O-N 3.36Å; V41-V135 HydrophobicContact CB-CG2 4.23Å; V41-V135 HydrophobicContact CG1-CG2 3.5Å; I132-V135 HydrophobicContact CB-CG2 4.25Å; I132-V135 HydrophobicContact CG2-CG2 3.76Å; V135-V165 HydrophobicContact CG1-CB 4.49Å; V135-V165 HydrophobicContact CG1-CG1 4.08Å; V135-V165 HydrophobicContact CG1-CG2 3.58Å
136M92.8Very high93.3Very high38 Ų3837.8 Ų37.819%0.18716%0.164CC..  trans-120.8169.3-177.8-60.4-81178.100111F38 E134 W138 D139F38-M136 HydrophobicContact CD1-CE 3.8Å; F38-M136 HydrophobicContact CD1-SD 3.95Å; F38-M136 HydrophobicContact CE1-CE 3.74Å; F38-M136 HydrophobicContact CE1-SD 3.55Å; F38-M136 VanDerWaalsContact CE1-SD 3.55Å; F38-M136 HydrophobicContact CZ-SD 4.43Å; E134-M136 HydrophobicContact CB-CE 4.36Å; M136-W138 VanDerWaalsContact C-N 3.34Å; M136-W138 HydrophobicContact CB-CD2 3.97Å; M136-W138 HydrophobicContact CB-CE3 4.42Å; M136-W138 HydrophobicContact CB-CH2 3.8Å; M136-W138 HydrophobicContact CB-CZ2 3.25Å; M136-W138 HydrophobicContact CB-CZ3 4.34Å; M136-W138 HydrophobicContact CG-CH2 3.89Å; M136-W138 HydrophobicContact CG-CZ2 3.4Å; M136-W138 PolarHBondContact O-N 2.9Å; M136-W138 HydrophobicContact SD-CH2 4.17Å; M136-W138 HydrophobicContact SD-CZ2 4.27Å; M136-D139 WeakPolarHBondContact CB-OD2 3.41Å; M136-D139 PolarHBondContact N-OD2 2.61Å; M136-D139 WeakPolarHBondContact O-CB 3.47Å; M136-D139 PolarHBondContact O-N 3.45Å
137W91.4Very high93.7Very high167 Ų16732.7 Ų32.763%0.63314%0.137SC*.G310 helixtrans-65.9-32.3-170.363.2-93.6000114L37 D139 H140 H167L37-W137 HydrophobicContact CD2-CB 3.88Å; W137-D139 VanDerWaalsContact C-N 3.27Å; W137-D139 PolarHBondContact O-N 2.87Å; W137-H140 VanDerWaalsContact O-CB 3.29Å; W137-H140 WeakPolarHBondContact O-CB 3.37Å; W137-H140 PolarHBondContact O-N 2.7Å; W137-H167 HydrophobicContact CB-CB 4.34Å
138W90.1Very high94Very high99 Ų9929.3 Ų29.338%0.37513%0.128SC..G310 helixtrans-76.8-9.4175.459.164.3000113.3R120 M136 H140R120-W138 VanDerWaalsContact NH1-NE1 3.1Å; M136-W138 VanDerWaalsContact C-N 3.34Å; M136-W138 HydrophobicContact CB-CD2 3.97Å; M136-W138 HydrophobicContact CB-CE3 4.42Å; M136-W138 HydrophobicContact CB-CH2 3.8Å; M136-W138 HydrophobicContact CB-CZ2 3.25Å; M136-W138 HydrophobicContact CB-CZ3 4.34Å; M136-W138 HydrophobicContact CG-CH2 3.89Å; M136-W138 HydrophobicContact CG-CZ2 3.4Å; M136-W138 PolarHBondContact O-N 2.9Å; M136-W138 HydrophobicContact SD-CH2 4.17Å; M136-W138 HydrophobicContact SD-CZ2 4.27Å; W138-H140 PolarHBondContact O-N 3.29Å
139D93.3Very high93.9Very high0 Ų029.9 Ų29.90%013%0.133CC..G310 helixtrans-81.77.8175-57.7-48.3000110.8R120 M136 W137 G141 Y143R120-D139 IonicContact CZ-OD1 3.33Å; R120-D139 VanDerWaalsContact NH1-CG 3.32Å; R120-D139 IonicContact NH1-OD1 3.66Å; R120-D139 PolarHBondContact NH1-OD1 3.21Å; R120-D139 IonicContact NH1-OD2 2.67Å; R120-D139 PolarHBondContact NH1-OD2 2.98Å; R120-D139 IonicContact NH2-OD1 2.86Å; M136-D139 WeakPolarHBondContact CB-OD2 3.41Å; M136-D139 PolarHBondContact N-OD2 2.61Å; M136-D139 WeakPolarHBondContact O-CB 3.47Å; M136-D139 PolarHBondContact O-N 3.45Å; W137-D139 VanDerWaalsContact C-N 3.27Å; W137-D139 PolarHBondContact O-N 2.87Å; D139-G141 PolarHBondContact O-N 2.96Å; D139-Y143 WeakPolarHBondContact O-CE2 3.33Å; D139-Y143 PolarHBondContact O-OH 2.67Å
140H93.9Very high93.5Very high23 Ų2333 Ų3311%0.10615%0.154CC..  trans-70.5107.7169.7-174.5-101.7000110.3F65 D68 W137 W138 V165F65-H140 AromaticContact CD2-CE1 3.37Å; F65-H140 WeakPolarHBondContact CD2-CE1 3.2Å; F65-H140 AromaticContact CD2-ND1 3.33Å; F65-H140 VanDerWaalsContact CD2-ND1 3.33Å; F65-H140 WeakPolarHBondContact CD2-ND1 3.02Å; F65-H140 AromaticContact CE2-CD2 4Å; F65-H140 AromaticContact CE2-CE1 3.47Å; F65-H140 VanDerWaalsContact CE2-CE1 3.47Å; F65-H140 WeakPolarHBondContact CE2-CE1 3.4Å; F65-H140 AromaticContact CE2-CG 3.85Å; F65-H140 AromaticContact CE2-ND1 3.54Å; F65-H140 AromaticContact CE2-NE2 3.75Å; D68-H140 IonicContact OD1-CE1 2.7Å; D68-H140 PolarHBondContact OD1-CE1 2.95Å; D68-H140 IonicContact OD1-ND1 3Å; W137-H140 VanDerWaalsContact O-CB 3.29Å; W137-H140 WeakPolarHBondContact O-CB 3.37Å; W137-H140 PolarHBondContact O-N 2.7Å; W138-H140 PolarHBondContact O-N 3.29Å; H140-V165 HydrophobicContact CB-CB 4.22Å; H140-V165 HydrophobicContact CB-CG2 4.22Å; H140-V165 PolarHBondContact CD2-N 2.92Å
141G94.8Very high92.8Very high0 Ų035.3 Ų35.30%018%0.178CC..EExtended strand (participates in β ladder)trans179.4-175.4-17800000115.2F65 D139 L163F65-G141 WeakPolarHBondContact CZ-O 3.2Å; D139-G141 PolarHBondContact O-N 2.96Å; G141-L163 PolarHBondContact N-O 2.79Å; G141-L163 PolarHBondContact O-N 2.67Å
142V95.4Very high92.2Very high0 Ų035.2 Ų35.20%018%0.177CC..EExtended strand (participates in β ladder)trans-95.9120.9173.9-1710000109.1K63 F65 N90 Y144 E160K63-V142 PolarHBondContact N-O 2.94Å; K63-V142 PolarHBondContact O-N 3.41Å; F65-V142 HydrophobicContact CD1-CG2 3.55Å; F65-V142 HydrophobicContact CE1-CG2 3.53Å; F65-V142 HydrophobicContact CG-CG2 4.47Å; F65-V142 HydrophobicContact CZ-CG2 4.44Å; N90-V142 HydrophobicContact CB-CG2 4.47Å; V142-Y144 HydrophobicContact CB-CE2 4.27Å; V142-Y144 HydrophobicContact CG1-CD2 4.03Å; V142-Y144 HydrophobicContact CG1-CE2 3.57Å; V142-E160 HydrophobicContact CG1-CB 3.69Å
143Y96.1Very high91.4Very high0 Ų041.6 Ų41.60%022%0.216CC..EExtended strand (participates in β ladder)trans-102117.2178.4-74.2-106.5000109.4L43 F62 V102 L130 I132 D139 E160 V161 L163L43-Y143 HydrophobicContact CD1-CD1 3.76Å; L43-Y143 HydrophobicContact CD1-CD2 3.9Å; L43-Y143 HydrophobicContact CD1-CE1 4.41Å; L43-Y143 HydrophobicContact CD1-CG 3.47Å; L43-Y143 VanDerWaalsContact CD1-CG 3.47Å; F62-Y143 HydrophobicContact CB-CE1 4.47Å; F62-Y143 HydrophobicContact CD2-CD2 4.24Å; F62-Y143 HydrophobicContact CD2-CE1 4.13Å; F62-Y143 AromaticContact CD2-CE2 3.62Å; F62-Y143 HydrophobicContact CD2-CE2 3.62Å; F62-Y143 AromaticContact CD2-CZ 3.57Å; F62-Y143 HydrophobicContact CE2-CE2 4.03Å; V102-Y143 HydrophobicContact CG2-CD1 4.29Å; V102-Y143 HydrophobicContact CG2-CE1 3.95Å; L130-Y143 HydrophobicContact CD2-CD1 3.75Å; L130-Y143 HydrophobicContact CD2-CE1 3.98Å; I132-Y143 HydrophobicContact CD1-CE1 3.94Å; D139-Y143 WeakPolarHBondContact O-CE2 3.33Å; D139-Y143 PolarHBondContact O-OH 2.67Å; Y143-E160 CarbonylContact O-C 3.59Å; Y143-V161 PolarHBondContact N-O 3.32Å; Y143-V161 PolarHBondContact O-N 3.48Å; Y143-L163 HydrophobicContact CD2-CB 3.72Å; Y143-L163 HydrophobicContact CD2-CD2 4.28Å; Y143-L163 HydrophobicContact CE2-CB 3.66Å; Y143-L163 HydrophobicContact CE2-CD2 3.58Å; Y143-L163 HydrophobicContact CE2-CG 4.18Å
144Y95.5Very high90.6Very high30 Ų3041.4 Ų41.412%0.11822%0.22CC..EExtended strand (participates in β ladder)trans-92.7121.7173.8-76.1-99.5000109.9W60 R61 K63 N90 V142 K159 E160W60-Y144 WeakPolarHBondContact CA-O 3.47Å; R61-Y144 PolarHBondContact N-O 3.49Å; R61-Y144 PolarHBondContact O-N 3.05Å; K63-Y144 HydrophobicContact CD-CD2 3.94Å; K63-Y144 HydrophobicContact CD-CE2 3.62Å; K63-Y144 HydrophobicContact CG-CD2 3.92Å; K63-Y144 HydrophobicContact CG-CE2 4Å; N90-Y144 PolarHBondContact ND2-OH 3.15Å; N90-Y144 PolarHBondContact OD1-OH 3.3Å; V142-Y144 HydrophobicContact CB-CE2 4.27Å; V142-Y144 HydrophobicContact CG1-CD2 4.03Å; V142-Y144 HydrophobicContact CG1-CE2 3.57Å; Y144-K159 WeakPolarHBondContact CA-O 3.47Å; Y144-E160 HydrophobicContact CD1-CB 4.16Å; Y144-E160 HydrophobicContact CE1-CB 3.86Å; Y144-E160 HydrophobicContact CE2-CB 4.27Å
145C95.7Very high90Very high0 Ų040.4 Ų40.40%023%0.23CC..EExtended strand (participates in β ladder)trans-85.2114.4164-1710000107.8C45 W60 I147 D158 K159C45-C145 HydrophobicContact CB-CB 3.76Å; C45-C145 WeakPolarHBondContact CB-SG 3.39Å; C45-C145 WeakPolarHBondContact SG-CB 3.47Å; C45-C145 CovalentContact SG-SG 2.03Å; C45-C145 PolarHBondContact SG-SG 3.11Å; W60-C145 HydrophobicContact CD2-CB 4.2Å; W60-C145 HydrophobicContact CE3-CB 4.09Å; W60-C145 HydrophobicContact CH2-CB 3.67Å; W60-C145 HydrophobicContact CZ2-CB 3.74Å; W60-C145 HydrophobicContact CZ3-CB 3.82Å; C145-I147 VanDerWaalsContact SG-CD1 3.51Å; C145-D158 WeakPolarHBondContact O-CA 3.46Å; C145-K159 PolarHBondContact N-O 3.41Å; C145-K159 PolarHBondContact O-N 3.24Å
146T94.4Very high89.6Confident0 Ų044.6 Ų44.60%025%0.252CS..EExtended strand (participates in β ladder)trans-124.5120.5-172.4680000109.1T59 R61 P157 D158T59-T146 WeakPolarHBondContact CB-OG1 3.35Å; T59-T146 PolarHBondContact N-O 3.36Å; T59-T146 PolarHBondContact O-N 2.68Å; T59-T146 VanDerWaalsContact O-O 3.11Å; T59-T146 PolarHBondContact O-OG1 3.43Å; R61-T146 HydrophobicContact CG-CG2 4.32Å; R61-T146 VanDerWaalsContact CZ-OG1 3.27Å; R61-T146 VanDerWaalsContact NH1-CB 3.35Å; R61-T146 PolarHBondContact NH1-OG1 3.31Å; T146-P157 WeakPolarHBondContact CA-O 3.34Å; T146-D158 WeakPolarHBondContact CA-OD1 3.4Å; T146-D158 WeakPolarHBondContact CB-OD1 3.46Å; T146-D158 HydrophobicContact CG2-CB 4.06Å; T146-D158 WeakPolarHBondContact CG2-OD1 3.07Å; T146-D158 WeakPolarHBondContact CG2-OD2 3.48Å
147I93.4Very high89.4Confident1 Ų145.6 Ų45.61%0.00526%0.261CS..EExtended strand (participates in β ladder)trans-113.2126.9-176.6-71.190.1000110.3L24 V26 Y47 V56 V57 V58 C145 P157L24-I147 HydrophobicContact CD1-CB 4.39Å; L24-I147 HydrophobicContact CD1-CG2 3.82Å; L24-I147 HydrophobicContact CD2-CB 4.32Å; L24-I147 HydrophobicContact CD2-CG2 4.19Å; L24-I147 WeakPolarHBondContact CD2-O 3.49Å; V26-I147 HydrophobicContact CB-CD1 4.41Å; V26-I147 HydrophobicContact CG1-CD1 3.82Å; V26-I147 HydrophobicContact CG2-CB 4.15Å; V26-I147 HydrophobicContact CG2-CD1 3.66Å; V26-I147 HydrophobicContact CG2-CG1 4.39Å; Y47-I147 HydrophobicContact CD1-CD1 4.22Å; Y47-I147 HydrophobicContact CD1-CG1 3.94Å; Y47-I147 HydrophobicContact CD2-CG2 4.32Å; Y47-I147 HydrophobicContact CE1-CG1 4.48Å; Y47-I147 HydrophobicContact CG-CD1 4.39Å; Y47-I147 HydrophobicContact CG-CG1 4.06Å; Y47-I147 HydrophobicContact CG-CG2 4.45Å; V56-I147 HydrophobicContact CG1-CG2 3.52Å; V57-I147 WeakPolarHBondContact O-CA 3.37Å; V58-I147 HydrophobicContact CG1-CG1 4.42Å; V58-I147 HydrophobicContact CG2-CG1 4.08Å; C145-I147 VanDerWaalsContact SG-CD1 3.51Å; I147-P157 PolarHBondContact N-O 3.29Å
148E91.9Very high89.4Confident93 Ų9340.2 Ų40.244%0.43525%0.245SC..EExtended strand (participates in β ladder)trans-113.2104.3177.2-69.9165.5-15800108.2V57 R61V57-E148 HydrophobicContact CB-CB 4.29Å; V57-E148 PolarHBondContact N-O 3.31Å; V57-E148 PolarHBondContact O-N 3.29Å; R61-E148 IonicContact CZ-OE1 3.52Å; R61-E148 IonicContact NH1-OE1 2.7Å; R61-E148 IonicContact NH2-OE1 3.15Å; R61-E148 PolarHBondContact NH2-OE1 3.03Å
149A90.6Very high89.6Confident12 Ų1238.2 Ų38.210%0.09924%0.239CC..  trans-112.8126.5-176.500000110.8L24 A51 V56 G151 D152L24-A149 HydrophobicContact CD1-CB 4.39Å; A51-A149 HydrophobicContact CB-CB 4.15Å; V56-A149 HydrophobicContact CG1-CB 4.36Å; V56-A149 HydrophobicContact CG2-CB 4.11Å; A149-G151 PolarHBondContact O-N 3.45Å; A149-G151 VanDerWaalsContact O-N 3.14Å; A149-D152 HydrophobicContact CB-CB 4.17Å; A149-D152 PolarHBondContact O-N 2.86Å
150P86Confident89.6Confident77 Ų7742 Ų4250%0.526%0.257SS..THydrogen-bonded Turntrans-70.7112.6-174.528.2-34.9000111.6A51 D55A51-P150 WeakPolarHBondContact CB-O 3.21Å; D55-P150 HydrophobicContact CB-CG 3.81Å
151G81.1Confident89.7Confident48 Ų4840.9 Ų40.950%0.49525%0.252SS..THydrogen-bonded Turntrans106.5-27.8-179.600000114A149 T153A149-G151 PolarHBondContact O-N 3.45Å; A149-G151 VanDerWaalsContact O-N 3.14Å; G151-T153 PolarHBondContact O-N 3.04Å
152D81.9Confident89.7Confident6 Ų642 Ų423%0.03226%0.256CS..  trans-94.177.1179.7-66.2-14.2000111L22 L24 T49 S50 A51 A149L22-D152 WeakPolarHBondContact CB-OD1 3.27Å; L24-D152 HydrophobicContact CB-CB 4.03Å; T49-D152 WeakPolarHBondContact CA-OD2 3.38Å; T49-D152 WeakPolarHBondContact CB-OD2 3.46Å; T49-D152 PolarHBondContact OG1-OD2 2.93Å; S50-D152 PolarHBondContact N-OD2 2.94Å; S50-D152 PolarHBondContact OG-OD1 3.17Å; S50-D152 PolarHBondContact OG-OD2 3.31Å; A51-D152 PolarHBondContact N-OD2 2.93Å; A149-D152 HydrophobicContact CB-CB 4.17Å; A149-D152 PolarHBondContact O-N 2.86Å
153T79.4Confident89.7Confident136 Ų13642 Ų4283%0.83426%0.256SS*.  trans-95.46177.461.40000114G151G151-T153 PolarHBondContact O-N 3.04Å
154S77.5Confident89.6Confident65 Ų6542 Ų4246%0.45526%0.256SS..SBendtrans-107.9122.5-179.7-1.10000111.1L22 S23 L24L22-S154 WeakPolarHBondContact O-CB 3.49Å; L22-S154 PolarHBondContact O-OG 3.43Å; S23-S154 WeakPolarHBondContact CA-O 3.48Å; L24-S154 PolarHBondContact N-O 2.84Å
155G80.6Confident89.6Confident54 Ų5440.6 Ų40.656%0.55725%0.251SS*.EExtended strand (participates in β ladder)trans128.4-168.5179.700000112.2L24 P157L24-G155 WeakPolarHBondContact O-CA 3.4Å; G155-P157 WeakPolarHBondContact O-CD 3.48Å
156D84.6Confident89.5Confident88 Ų8842 Ų4247%0.47126%0.259SS..EExtended strand (participates in β ladder)trans-93.4108173.5-70-20.3000109.2D158 K159D156-D158 VanDerWaalsContact C-N 3.32Å; D156-K159 IonicContact OD2-NZ 2.68Å; D156-K159 PolarHBondContact OD2-NZ 3Å
157P88.6Confident89.4Confident58 Ų5844.8 Ų44.838%0.37727%0.271SS..  trans-79.5-15-179.433.4-37000113.6L24 V26 T146 I147 G155L24-P157 HydrophobicContact CD2-CB 3.81Å; V26-P157 VanDerWaalsContact CG2-O 3.3Å; V26-P157 WeakPolarHBondContact CG2-O 3.45Å; T146-P157 WeakPolarHBondContact CA-O 3.34Å; I147-P157 PolarHBondContact N-O 3.29Å; G155-P157 WeakPolarHBondContact O-CD 3.48Å
158D92.4Very high89.2Confident54 Ų5449 Ų4929%0.28929%0.287SS..EExtended strand (participates in β ladder)trans-127.7137.7-167.9-73.721.4000110.1R61 C145 T146 D156R61-D158 IonicContact NH1-OD2 2.68Å; C145-D158 WeakPolarHBondContact O-CA 3.46Å; T146-D158 WeakPolarHBondContact CA-OD1 3.4Å; T146-D158 WeakPolarHBondContact CB-OD1 3.46Å; T146-D158 HydrophobicContact CG2-CB 4.06Å; T146-D158 WeakPolarHBondContact CG2-OD1 3.07Å; T146-D158 WeakPolarHBondContact CG2-OD2 3.48Å; D156-D158 VanDerWaalsContact C-N 3.32Å
159K93.9Very high89.2Confident58 Ų5846.8 Ų46.825%0.25228%0.278SS..EExtended strand (participates in β ladder)trans-140.6139.9167.7-65.7-63.5164.1-161.70112.4V26 V28 Y144 C145 D156V26-K159 HydrophobicContact CB-CG 4.03Å; V26-K159 HydrophobicContact CG1-CB 4.13Å; V26-K159 HydrophobicContact CG1-CG 3.93Å; V26-K159 WeakPolarHBondContact O-CG 3.43Å; V28-K159 HydrophobicContact CG2-CB 3.66Å; Y144-K159 WeakPolarHBondContact CA-O 3.47Å; C145-K159 PolarHBondContact N-O 3.41Å; C145-K159 PolarHBondContact O-N 3.24Å; D156-K159 IonicContact OD2-NZ 2.68Å; D156-K159 PolarHBondContact OD2-NZ 3Å
160E93.6Very high89.2Confident78 Ų7847.5 Ų47.536%0.36428%0.282SS..EExtended strand (participates in β ladder)trans-86.8149.2-18065.1-80.7-171.600114.7V142 Y143 Y144V142-E160 HydrophobicContact CG1-CB 3.69Å; Y143-E160 CarbonylContact O-C 3.59Å; Y144-E160 HydrophobicContact CD1-CB 4.16Å; Y144-E160 HydrophobicContact CE1-CB 3.86Å; Y144-E160 HydrophobicContact CE2-CB 4.27Å
161V95.4Very high89.5Confident1 Ų147.5 Ų47.51%0.00628%0.28CS..EExtended strand (participates in β ladder)trans-136.5113.1172.6-175.10000108V28 T31 L43 W60 Y143 L163V28-V161 HydrophobicContact CG1-CG2 3.76Å; V28-V161 HydrophobicContact CG2-CG2 3.95Å; T31-V161 CarbonylContact O-C 3.52Å; L43-V161 HydrophobicContact CB-CG1 4.33Å; L43-V161 HydrophobicContact CD1-CG1 4.3Å; L43-V161 HydrophobicContact CD2-CG1 3.98Å; L43-V161 HydrophobicContact CG-CG1 4.43Å; W60-V161 HydrophobicContact CH2-CG2 4.18Å; W60-V161 HydrophobicContact CZ3-CG2 4.21Å; Y143-V161 PolarHBondContact N-O 3.32Å; Y143-V161 PolarHBondContact O-N 3.48Å; V161-L163 PolarHBondContact O-N 3.14Å
162K95.1Very high90.1Very high22 Ų2249.2 Ų49.210%0.09628%0.277CS..EExtended strand (participates in β ladder)trans-76.5122173.9-54.2-174.8-163.6168.30109.7T31 E32 R33 F65 D87 I164T31-K162 PolarHBondContact O-N 2.85Å; E32-K162 CarbonylContact C-O 3.55Å; E32-K162 HydrophobicContact CG-CB 4.26Å; E32-K162 HydrophobicContact CG-CD 4.04Å; E32-K162 HydrophobicContact CG-CG 4.39Å; E32-K162 WeakPolarHBondContact OE1-CD 3.42Å; E32-K162 WeakPolarHBondContact OE1-CE 3.4Å; E32-K162 IonicContact OE1-NZ 3.17Å; E32-K162 PolarHBondContact OE1-NZ 2.8Å; R33-K162 PolarHBondContact N-O 2.78Å; F65-K162 HydrophobicContact CE1-CB 4.08Å; F65-K162 HydrophobicContact CE1-CD 4.27Å; F65-K162 HydrophobicContact CE1-CG 4.17Å; F65-K162 HydrophobicContact CZ-CB 4.16Å; D87-K162 IonicContact OD1-NZ 3.25Å; D87-K162 WeakPolarHBondContact OD2-CE 3.38Å; D87-K162 IonicContact OD2-NZ 2.72Å; D87-K162 PolarHBondContact OD2-NZ 3.22Å; K162-I164 HydrophobicContact CB-CD1 3.8Å
163L95.6Very high90.6Very high0 Ų055 Ų550%030%0.302CS..EExtended strand (participates in β ladder)trans-104.2104.2172.4178.355000109.6V35 V41 L43 I132 G141 Y143 V161 V165V35-L163 HydrophobicContact CB-CD1 4.17Å; V35-L163 HydrophobicContact CG2-CD1 3.5Å; V41-L163 HydrophobicContact CG1-CD1 4.37Å; V41-L163 HydrophobicContact CG1-CD2 4.26Å; V41-L163 HydrophobicContact CG2-CD1 4.37Å; L43-L163 HydrophobicContact CD2-CD1 4.37Å; I132-L163 HydrophobicContact CD1-CD2 4.2Å; G141-L163 PolarHBondContact N-O 2.79Å; G141-L163 PolarHBondContact O-N 2.67Å; Y143-L163 HydrophobicContact CD2-CB 3.72Å; Y143-L163 HydrophobicContact CD2-CD2 4.28Å; Y143-L163 HydrophobicContact CE2-CB 3.66Å; Y143-L163 HydrophobicContact CE2-CD2 3.58Å; Y143-L163 HydrophobicContact CE2-CG 4.18Å; V161-L163 PolarHBondContact O-N 3.14Å; L163-V165 HydrophobicContact CG-CG2 4.29Å
164I94.7Very high91.3Very high0 Ų054.3 Ų54.30%029%0.292CS..EExtended strand (participates in β ladder)trans-99.497.7-177.8-51.891.3000109.6E32 R33 Y34 V35 F65 P69 I70 K162 L166E32-I164 HydrophobicContact CB-CD1 4.16Å; R33-I164 PolarHBondContact O-N 3.02Å; Y34-I164 WeakPolarHBondContact CA-O 3.36Å; Y34-I164 HydrophobicContact CD1-CB 3.69Å; Y34-I164 HydrophobicContact CD1-CD1 4.39Å; Y34-I164 HydrophobicContact CD1-CG1 4.35Å; Y34-I164 HydrophobicContact CD1-CG2 3.86Å; Y34-I164 HydrophobicContact CE1-CB 3.75Å; Y34-I164 HydrophobicContact CE1-CD1 3.99Å; Y34-I164 HydrophobicContact CE1-CG1 3.94Å; Y34-I164 HydrophobicContact CE1-CG2 3.81Å; Y34-I164 HydrophobicContact CE2-CD1 4.24Å; Y34-I164 HydrophobicContact CG-CB 4.43Å; V35-I164 PolarHBondContact N-O 3.28Å; F65-I164 HydrophobicContact CZ-CG1 4.28Å; P69-I164 HydrophobicContact CG-CG1 4.13Å; I70-I164 HydrophobicContact CD1-CG2 3.47Å; I70-I164 VanDerWaalsContact CD1-CG2 3.47Å; I70-I164 HydrophobicContact CG1-CG2 3.92Å; K162-I164 HydrophobicContact CB-CD1 3.8Å; I164-L166 PolarHBondContact O-N 2.78Å
165V95.1Very high92.2Very high1 Ų156.4 Ų56.41%0.00630%0.297CS..EExtended strand (participates in β ladder)trans-77.4112.4174.9-174.10000111.3V35 L37 V135 H140 L163 H167V35-V165 CarbonylContact O-C 3.54Å; V35-V165 WeakPolarHBondContact O-CA 3.5Å; L37-V165 HydrophobicContact CD2-CG1 3.58Å; L37-V165 HydrophobicContact CG-CG1 4.41Å; V135-V165 HydrophobicContact CG1-CB 4.49Å; V135-V165 HydrophobicContact CG1-CG1 4.08Å; V135-V165 HydrophobicContact CG1-CG2 3.58Å; H140-V165 HydrophobicContact CB-CB 4.22Å; H140-V165 HydrophobicContact CB-CG2 4.22Å; H140-V165 PolarHBondContact CD2-N 2.92Å; L163-V165 HydrophobicContact CG-CG2 4.29Å; V165-H167 PolarHBondContact O-CD2 3.49Å; V165-H167 PolarHBondContact O-N 2.99Å
166L93.4Very high92.9Very high31 Ų3158.6 Ų58.616%0.16230%0.295CS..  trans-77.454.3-178.8-63.4175.3000112.8Y34 V35 I70 I164 W168 L169Y34-L166 HydrophobicContact CD1-CD2 4.29Å; V35-L166 PolarHBondContact O-N 3.39Å; I70-L166 HydrophobicContact CD1-CD2 3.53Å; I164-L166 PolarHBondContact O-N 2.78Å; L166-W168 HydrophobicContact CD2-CZ2 4.4Å; L166-W168 PolarHBondContact O-N 3.14Å; L166-L169 HydrophobicContact CB-CB 4.16Å; L166-L169 HydrophobicContact CB-CD2 4.43Å; L166-L169 HydrophobicContact CD1-CD2 4.17Å; L166-L169 WeakPolarHBondContact O-CB 3.04Å; L166-L169 PolarHBondContact O-N 3.13Å
167H91.2Very high93.5Very high57 Ų5756.1 Ų56.126%0.26429%0.291SS..Hα-helixtrans-62.8-40.8-175.968.293.6000112.9L37 F71 W137 V165 L169 T170 V171L37-H167 HydrophobicContact CD1-CB 4.04Å; L37-H167 HydrophobicContact CD2-CB 4.07Å; L37-H167 HydrophobicContact CG-CB 4.08Å; F71-H167 AromaticContact CE2-CE1 3.91Å; F71-H167 AromaticContact CE2-NE2 3.53Å; F71-H167 AromaticContact CZ-CE1 3.96Å; F71-H167 AromaticContact CZ-NE2 3.94Å; W137-H167 HydrophobicContact CB-CB 4.34Å; V165-H167 PolarHBondContact O-CD2 3.49Å; V165-H167 PolarHBondContact O-N 2.99Å; H167-L169 VanDerWaalsContact C-N 3.27Å; H167-L169 PolarHBondContact O-N 3.36Å; H167-T170 PolarHBondContact O-N 3.37Å; H167-T170 VanDerWaalsContact O-N 3.11Å; H167-T170 PolarHBondContact O-OG1 3.46Å; H167-V171 PolarHBondContact O-N 3.41Å
168W90.8Very high93.9Very high90 Ų9055.7 Ų55.734%0.34129%0.292SS..Hα-helixtrans-58.7-37.4177.363.4-89.6000112.9F71 L166 T170 V171 I172F71-W168 HydrophobicContact CE1-CB 4.47Å; F71-W168 HydrophobicContact CZ-CB 4Å; F71-W168 AromaticContact CZ-CD1 3.96Å; F71-W168 HydrophobicContact CZ-CG 4.16Å; L166-W168 HydrophobicContact CD2-CZ2 4.4Å; L166-W168 PolarHBondContact O-N 3.14Å; W168-T170 VanDerWaalsContact C-N 3.3Å; W168-T170 PolarHBondContact O-N 2.87Å; W168-V171 WeakPolarHBondContact O-CB 3.46Å; W168-V171 PolarHBondContact O-N 2.84Å; W168-V171 VanDerWaalsContact O-N 3.15Å; W168-I172 HydrophobicContact CE3-CD1 3.64Å; W168-I172 HydrophobicContact CZ3-CD1 3.74Å; W168-I172 PolarHBondContact O-N 3.36Å
169L92.1Very high94Very high47 Ų4758 Ų5825%0.24630%0.303CS..Hα-helixtrans-65-35.9178.8-176.364000111.2L166 H167 V171 I172 F173L166-L169 HydrophobicContact CB-CB 4.16Å; L166-L169 HydrophobicContact CB-CD2 4.43Å; L166-L169 HydrophobicContact CD1-CD2 4.17Å; L166-L169 WeakPolarHBondContact O-CB 3.04Å; L166-L169 PolarHBondContact O-N 3.13Å; H167-L169 VanDerWaalsContact C-N 3.27Å; H167-L169 PolarHBondContact O-N 3.36Å; L169-V171 VanDerWaalsContact C-N 3.35Å; L169-I172 PolarHBondContact O-N 3.04Å; L169-F173 HydrophobicContact CD1-CD2 4.34Å; L169-F173 HydrophobicContact CD1-CE2 3.89Å; L169-F173 HydrophobicContact CD1-CZ 4.35Å; L169-F173 HydrophobicContact CD2-CE2 4.01Å; L169-F173 HydrophobicContact CG-CD2 3.96Å; L169-F173 HydrophobicContact CG-CE2 3.61Å; L169-F173 VanDerWaalsContact O-CD2 3.24Å; L169-F173 WeakPolarHBondContact O-CD2 3.31Å; L169-F173 PolarHBondContact O-N 2.82Å
170T89.3Confident94.1Very high27 Ų2759.7 Ų59.717%0.16632%0.315CS..Hα-helixtrans-66.8-35.8174.572.20000112.2L37 H167 W168 F173 I174L37-T170 HydrophobicContact CB-CG2 4.23Å; L37-T170 HydrophobicContact CD1-CG2 4.49Å; L37-T170 HydrophobicContact CG-CG2 4.28Å; H167-T170 PolarHBondContact O-N 3.37Å; H167-T170 VanDerWaalsContact O-N 3.11Å; H167-T170 PolarHBondContact O-OG1 3.46Å; W168-T170 VanDerWaalsContact C-N 3.3Å; W168-T170 PolarHBondContact O-N 2.87Å; T170-F173 PolarHBondContact O-N 2.88Å; T170-I174 WeakPolarHBondContact O-CD1 3.42Å; T170-I174 VanDerWaalsContact O-CG1 3.27Å; T170-I174 WeakPolarHBondContact O-CG1 3.29Å; T170-I174 PolarHBondContact O-N 3.37Å
171V92.2Very high94Very high76 Ų7660.9 Ų60.946%0.46132%0.323SS..Hα-helixtrans-65.3-42.4174.6179.80000110.5H167 W168 L169 I174 I175H167-V171 PolarHBondContact O-N 3.41Å; W168-V171 WeakPolarHBondContact O-CB 3.46Å; W168-V171 PolarHBondContact O-N 2.84Å; W168-V171 VanDerWaalsContact O-N 3.15Å; L169-V171 VanDerWaalsContact C-N 3.35Å; V171-I174 PolarHBondContact O-N 3.44Å; V171-I175 HydrophobicContact CG1-CD1 3.87Å; V171-I175 WeakPolarHBondContact O-CG1 3.24Å; V171-I175 PolarHBondContact O-N 3.34Å
172I94Very high93.9Very high85 Ų8566.6 Ų66.644%0.43635%0.353SS..Hα-helixtrans-61.5-44.4174.1-66.9178.6000111.1W168 L169 I174 I175 L176W168-I172 HydrophobicContact CE3-CD1 3.64Å; W168-I172 HydrophobicContact CZ3-CD1 3.74Å; W168-I172 PolarHBondContact O-N 3.36Å; L169-I172 PolarHBondContact O-N 3.04Å; I172-I174 VanDerWaalsContact C-N 3.34Å; I172-I174 PolarHBondContact O-N 3.28Å; I172-I175 PolarHBondContact O-N 3.32Å; I172-L176 VanDerWaalsContact O-CB 3.24Å; I172-L176 WeakPolarHBondContact O-CB 3.31Å; I172-L176 PolarHBondContact O-N 2.94Å
173F93.1Very high93.6Very high128 Ų12870 Ų7056%0.56137%0.372SS*.Hα-helixtrans-63.6-36.2176.4-78-54.5000113.1L169 T170 G177L169-F173 HydrophobicContact CD1-CD2 4.34Å; L169-F173 HydrophobicContact CD1-CE2 3.89Å; L169-F173 HydrophobicContact CD1-CZ 4.35Å; L169-F173 HydrophobicContact CD2-CE2 4.01Å; L169-F173 HydrophobicContact CG-CD2 3.96Å; L169-F173 HydrophobicContact CG-CE2 3.61Å; L169-F173 VanDerWaalsContact O-CD2 3.24Å; L169-F173 WeakPolarHBondContact O-CD2 3.31Å; L169-F173 PolarHBondContact O-N 2.82Å; T170-F173 PolarHBondContact O-N 2.88Å; F173-G177 PolarHBondContact O-N 3.17Å
174I93.8Very high93.1Very high120 Ų12075 Ų7562%0.61540%0.398SS*.Hα-helixtrans-66.5-45.4174.7-69.3162.7000110.8T170 V171 I172 G177 A178T170-I174 WeakPolarHBondContact O-CD1 3.42Å; T170-I174 VanDerWaalsContact O-CG1 3.27Å; T170-I174 WeakPolarHBondContact O-CG1 3.29Å; T170-I174 PolarHBondContact O-N 3.37Å; V171-I174 PolarHBondContact O-N 3.44Å; I172-I174 VanDerWaalsContact C-N 3.34Å; I172-I174 PolarHBondContact O-N 3.28Å; I174-G177 PolarHBondContact O-N 2.95Å; I174-A178 WeakPolarHBondContact O-CB 3.33Å; I174-A178 PolarHBondContact O-N 2.8Å
175I96.3Very high92.6Very high109 Ų10977.6 Ų77.656%0.55941%0.412SS*.Hα-helixtrans-64.5-44.8177.7-67.4167.5000110.9V171 I172 A178 L179V171-I175 HydrophobicContact CG1-CD1 3.87Å; V171-I175 WeakPolarHBondContact O-CG1 3.24Å; V171-I175 PolarHBondContact O-N 3.34Å; I172-I175 PolarHBondContact O-N 3.32Å; I175-A178 PolarHBondContact O-N 3.25Å; I175-L179 VanDerWaalsContact O-CB 3.31Å; I175-L179 WeakPolarHBondContact O-CB 3.34Å; I175-L179 PolarHBondContact O-N 2.83Å
176L96.4Very high91.9Very high100 Ų10078.9 Ų78.952%0.52442%0.424SS..Hα-helixtrans-64.4-41177.2-178.263.2000111.6I172 L179 L180I172-L176 VanDerWaalsContact O-CB 3.24Å; I172-L176 WeakPolarHBondContact O-CB 3.31Å; I172-L176 PolarHBondContact O-N 2.94Å; L176-L179 PolarHBondContact O-N 3.09Å; L176-L180 VanDerWaalsContact O-CB 3.25Å; L176-L180 WeakPolarHBondContact O-CB 3.43Å; L176-L180 PolarHBondContact O-N 3.13Å
177G96.4Very high91.2Very high37 Ų3780.3 Ų80.338%0.38144%0.435SS..Hα-helixtrans-64.5-42174.900000112.6F173 I174 L180 L181F173-G177 PolarHBondContact O-N 3.17Å; I174-G177 PolarHBondContact O-N 2.95Å; G177-L180 PolarHBondContact O-N 3.44Å; G177-L181 VanDerWaalsContact O-CB 3.31Å; G177-L181 WeakPolarHBondContact O-CB 3.17Å; G177-L181 PolarHBondContact O-N 3.22Å
178A95.9Very high90Very high48 Ų4879.4 Ų79.440%0.39743%0.434SS..Hα-helixtrans-66.7-40.6174.600000112.2I174 I175 L181 L182I174-A178 WeakPolarHBondContact O-CB 3.33Å; I174-A178 PolarHBondContact O-N 2.8Å; I175-A178 PolarHBondContact O-N 3.25Å; A178-L181 PolarHBondContact O-N 2.7Å; A178-L182 WeakPolarHBondContact O-CB 3.18Å; A178-L182 VanDerWaalsContact O-CG 3.29Å; A178-L182 WeakPolarHBondContact O-CG 3.48Å; A178-L182 PolarHBondContact O-N 2.98Å
179L96.1Very high88.9Confident102 Ų10284.2 Ų84.253%0.53445%0.452SS..Hα-helixtrans-65.7-41.8174.9-175.3151.5000111.5I175 L176 L182 L183I175-L179 VanDerWaalsContact O-CB 3.31Å; I175-L179 WeakPolarHBondContact O-CB 3.34Å; I175-L179 PolarHBondContact O-N 2.83Å; L176-L179 PolarHBondContact O-N 3.09Å; L179-L182 PolarHBondContact O-N 3.22Å; L179-L183 WeakPolarHBondContact O-CB 3.48Å; L179-L183 PolarHBondContact O-N 2.82Å
180L94.4Very high87.3Confident95 Ų9585.6 Ų85.650%0.49747%0.465SS..Hα-helixtrans-64.1-41.5174.3-175.768.4000111.3L176 G177 L183 L184L176-L180 VanDerWaalsContact O-CB 3.25Å; L176-L180 WeakPolarHBondContact O-CB 3.43Å; L176-L180 PolarHBondContact O-N 3.13Å; G177-L180 PolarHBondContact O-N 3.44Å; L180-L183 PolarHBondContact O-N 2.98Å; L180-L184 HydrophobicContact CG-CD1 4.17Å; L180-L184 WeakPolarHBondContact O-CB 3.22Å; L180-L184 VanDerWaalsContact O-CG 3.27Å; L180-L184 WeakPolarHBondContact O-CG 3.41Å; L180-L184 PolarHBondContact O-N 2.96Å
181L93.4Very high85.7Confident103 Ų10387.3 Ų87.354%0.53947%0.471SS..Hα-helixtrans-61.1-47.5174-171.482.4000111G177 A178 L183 L184 I185G177-L181 VanDerWaalsContact O-CB 3.31Å; G177-L181 WeakPolarHBondContact O-CB 3.17Å; G177-L181 PolarHBondContact O-N 3.22Å; A178-L181 PolarHBondContact O-N 2.7Å; L181-L183 VanDerWaalsContact C-N 3.32Å; L181-L183 PolarHBondContact O-N 3.24Å; L181-L184 PolarHBondContact O-N 2.82Å; L181-I185 HydrophobicContact CD2-CD1 4.14Å; L181-I185 HydrophobicContact CG-CD1 3.82Å; L181-I185 HydrophobicContact CG-CG1 4.5Å; L181-I185 WeakPolarHBondContact O-CB 3.32Å; L181-I185 WeakPolarHBondContact O-CG1 3.42Å; L181-I185 PolarHBondContact O-N 3.29Å
182L91.8Very high83.7Confident121 Ų12186.2 Ų86.263%0.63447%0.466SS*.Hα-helixtrans-63.7-35.9176.7-73.5169.9000112.3A178 L179 G186A178-L182 WeakPolarHBondContact O-CB 3.18Å; A178-L182 VanDerWaalsContact O-CG 3.29Å; A178-L182 WeakPolarHBondContact O-CG 3.48Å; A178-L182 PolarHBondContact O-N 2.98Å; L179-L182 PolarHBondContact O-N 3.22Å; L182-G186 PolarHBondContact O-N 3.48Å
183L89.2Confident81.7Confident94 Ų9485.3 Ų85.349%0.49247%0.467SS..Hα-helixtrans-65.6-48.2173.1-172.1160.7000110.8L179 L180 L181 I185 G186 V187L179-L183 WeakPolarHBondContact O-CB 3.48Å; L179-L183 PolarHBondContact O-N 2.82Å; L180-L183 PolarHBondContact O-N 2.98Å; L181-L183 VanDerWaalsContact C-N 3.32Å; L181-L183 PolarHBondContact O-N 3.24Å; L183-I185 PolarHBondContact O-N 3.45Å; L183-G186 PolarHBondContact O-N 3.49Å; L183-V187 HydrophobicContact CD2-CG2 3.92Å; L183-V187 WeakPolarHBondContact O-CB 3.33Å; L183-V187 VanDerWaalsContact O-CG2 3.27Å; L183-V187 WeakPolarHBondContact O-CG2 3.24Å; L183-V187 PolarHBondContact O-N 2.85Å
184L85.8Confident80Confident104 Ų10483.6 Ų83.655%0.54547%0.469SS..Hα-helixtrans-62.6-41.7177.5-72.2169000112L180 L181 C188L180-L184 HydrophobicContact CG-CD1 4.17Å; L180-L184 WeakPolarHBondContact O-CB 3.22Å; L180-L184 VanDerWaalsContact O-CG 3.27Å; L180-L184 WeakPolarHBondContact O-CG 3.41Å; L180-L184 PolarHBondContact O-N 2.96Å; L181-L184 PolarHBondContact O-N 2.82Å; L184-C188 VanDerWaalsContact O-CB 3.22Å; L184-C188 WeakPolarHBondContact O-CB 3.12Å; L184-C188 PolarHBondContact O-N 3.37Å
185I84.7Confident77.8Confident55 Ų5585.2 Ų85.228%0.28247%0.473SS..Hα-helixtrans-63.3-48.7174.1-72.4170.5000110.3L181 L183 V187 C188 W189L181-I185 HydrophobicContact CD2-CD1 4.14Å; L181-I185 HydrophobicContact CG-CD1 3.82Å; L181-I185 HydrophobicContact CG-CG1 4.5Å; L181-I185 WeakPolarHBondContact O-CB 3.32Å; L181-I185 WeakPolarHBondContact O-CG1 3.42Å; L181-I185 PolarHBondContact O-N 3.29Å; L183-I185 PolarHBondContact O-N 3.45Å; I185-V187 PolarHBondContact O-N 2.86Å; I185-C188 WeakPolarHBondContact O-CB 3.11Å; I185-C188 PolarHBondContact O-N 3.34Å; I185-W189 HydrophobicContact CG2-CD2 3.6Å; I185-W189 HydrophobicContact CG2-CE3 3.84Å; I185-W189 HydrophobicContact CG2-CG 4.3Å; I185-W189 HydrophobicContact CG2-CH2 3.64Å; I185-W189 HydrophobicContact CG2-CZ2 3.37Å; I185-W189 HydrophobicContact CG2-CZ3 3.86Å; I185-W189 WeakPolarHBondContact O-CB 3.27Å; I185-W189 VanDerWaalsContact O-CG 3.26Å; I185-W189 PolarHBondContact O-N 2.86Å
186G79.6Confident75.5Confident27 Ų2790 Ų9028%0.27849%0.486SS..Hα-helixtrans-61.7-42.6178.200000112.8L182 L183 W189 C190L182-G186 PolarHBondContact O-N 3.48Å; L183-G186 PolarHBondContact O-N 3.49Å; G186-W189 PolarHBondContact O-N 3.43Å; G186-C190 VanDerWaalsContact O-CB 3.32Å; G186-C190 WeakPolarHBondContact O-CB 3.25Å; G186-C190 PolarHBondContact O-N 3.18Å; G186-C190 PolarHBondContact O-SG 3.38Å
187V79.1Confident73.3Confident62 Ų6288.1 Ų88.138%0.37648%0.48SS..Hα-helixtrans-63.5-44.3173.61690000110.8L183 I185 C190 Q191L183-V187 HydrophobicContact CD2-CG2 3.92Å; L183-V187 WeakPolarHBondContact O-CB 3.33Å; L183-V187 VanDerWaalsContact O-CG2 3.27Å; L183-V187 WeakPolarHBondContact O-CG2 3.24Å; L183-V187 PolarHBondContact O-N 2.85Å; I185-V187 PolarHBondContact O-N 2.86Å; V187-C190 PolarHBondContact O-N 2.05Å; V187-Q191 HydrophobicContact CG1-CG 4.33Å; V187-Q191 VanDerWaalsContact O-CB 3.23Å; V187-Q191 WeakPolarHBondContact O-CB 3.49Å; V187-Q191 WeakPolarHBondContact O-CG 3.41Å; V187-Q191 PolarHBondContact O-N 2.83Å
188C66.3Low71Confident37 Ų3790.9 Ų90.925%0.2549%0.493CS..Hα-helixtrans-62.1-43.9176.5-172.60000112.3L184 I185 Q191 C192L184-C188 VanDerWaalsContact O-CB 3.22Å; L184-C188 WeakPolarHBondContact O-CB 3.12Å; L184-C188 PolarHBondContact O-N 3.37Å; I185-C188 WeakPolarHBondContact O-CB 3.11Å; I185-C188 PolarHBondContact O-N 3.34Å; C188-Q191 PolarHBondContact O-N 2.83Å; C188-C192 PolarHBondContact O-N 3.24Å
189W68Low69Low192 Ų19290.3 Ų90.373%0.72749%0.486SS*.Hα-helixtrans-65.7-44177.2-69.8-9.9000111.9I185 G186 Q191 C193I185-W189 HydrophobicContact CG2-CD2 3.6Å; I185-W189 HydrophobicContact CG2-CE3 3.84Å; I185-W189 HydrophobicContact CG2-CG 4.3Å; I185-W189 HydrophobicContact CG2-CH2 3.64Å; I185-W189 HydrophobicContact CG2-CZ2 3.37Å; I185-W189 HydrophobicContact CG2-CZ3 3.86Å; I185-W189 WeakPolarHBondContact O-CB 3.27Å; I185-W189 VanDerWaalsContact O-CG 3.26Å; I185-W189 PolarHBondContact O-N 2.86Å; G186-W189 PolarHBondContact O-N 3.43Å; W189-Q191 VanDerWaalsContact C-N 3.31Å; W189-Q191 PolarHBondContact O-N 2.85Å; W189-C193 WeakPolarHBondContact O-CB 3.22Å; W189-C193 PolarHBondContact O-N 3.4Å
190C56.5Low66.6Low76 Ų7696.5 Ų96.551%0.51450%0.504SS..Hα-helixtrans-64.3-33.4174.2-72.60000112.7G186 V187 C197G186-C190 VanDerWaalsContact O-CB 3.32Å; G186-C190 WeakPolarHBondContact O-CB 3.25Å; G186-C190 PolarHBondContact O-N 3.18Å; G186-C190 PolarHBondContact O-SG 3.38Å; V187-C190 PolarHBondContact O-N 2.05Å; C190-C197 WeakPolarHBondContact O-CB 3.32Å
191Q56Low64.4Low62 Ų6298.2 Ų98.229%0.2951%0.512SS..Hα-helixtrans-82.4-27.9-176.4-75.8177.6-5.900114.3V187 C188 W189 C199 C203V187-Q191 HydrophobicContact CG1-CG 4.33Å; V187-Q191 VanDerWaalsContact O-CB 3.23Å; V187-Q191 WeakPolarHBondContact O-CB 3.49Å; V187-Q191 WeakPolarHBondContact O-CG 3.41Å; V187-Q191 PolarHBondContact O-N 2.83Å; C188-Q191 PolarHBondContact O-N 2.83Å; W189-Q191 VanDerWaalsContact C-N 3.31Å; W189-Q191 PolarHBondContact O-N 2.85Å; Q191-C199 VanDerWaalsContact CB-SG 3.52Å; Q191-C199 PolarHBondContact O-SG 2.88Å; Q191-C203 PolarHBondContact OE1-SG 3.34Å
192C50.6Low62.3Low54 Ų54104.2 Ų104.237%0.36553%0.527SS..THydrogen-bonded Turntrans-106.125.8178.8-50.50000113.2C188 C206C188-C192 PolarHBondContact O-N 3.24Å; C192-C206 HydrophobicContact CB-CB 4.47Å; C192-C206 WeakPolarHBondContact CB-SG 3.36Å; C192-C206 WeakPolarHBondContact SG-CB 3.27Å; C192-C206 CovalentContact SG-SG 2.05Å; C192-C206 PolarHBondContact SG-SG 2.91Å
193C53.3Low60.4Low65 Ų6599.8 Ų99.844%0.43951%0.507SS..  trans-90.3116179.6-1510000112W189 Q195W189-C193 WeakPolarHBondContact O-CB 3.22Å; W189-C193 PolarHBondContact O-N 3.4Å; C193-Q195 VanDerWaalsContact C-N 3.3Å; C193-Q195 PolarHBondContact O-N 3.07Å
194P56.1Low58.8Low93 Ų93101 Ų10160%0.60452%0.52SS*.THydrogen-bonded Turntrans-85.328.4-15935.9-40000115.8
195Q47.7Very low57Low153 Ų15399.7 Ų99.772%0.71552%0.518SS*.THydrogen-bonded Turntrans-133.5-41.5-177.1-67.2-72.4-86.100114.8C193C193-Q195 VanDerWaalsContact C-N 3.3Å; C193-Q195 PolarHBondContact O-N 3.07Å
196Y47.2Very low55.4Low209 Ų20998.8 Ų98.882%0.8252%0.517SS*.THydrogen-bonded Turntrans-1405.6-166.6-73.1-69.6000117.7
197C51.2Low53.9Low61 Ų61103.3 Ų103.341%0.41254%0.541SS..  trans-121.4100.5-176-63.80000113.2C190 C199C190-C197 WeakPolarHBondContact O-CB 3.32Å; C197-C199 PolarHBondContact O-N 3.49Å
198C49Very low52.4Low96 Ų96104.8 Ų104.865%0.64956%0.56SS**  trans-73.2110.7177-66.70000112Y200C198-Y200 PolarHBondContact O-N 3.05Å; C198-Y200 VanDerWaalsContact O-N 3.07Å
199C54Low51.5Low36 Ų36113.1 Ų113.124%0.24359%0.586CS.*  trans-7396.4171.8-77.90000112Q191 C197 I201Q191-C199 VanDerWaalsContact CB-SG 3.52Å; Q191-C199 PolarHBondContact O-SG 2.88Å; C197-C199 PolarHBondContact O-N 3.49Å; C199-I201 PolarHBondContact O-N 3.44Å
200Y45.7Very low50.7Low231 Ų231107.4 Ų107.491%0.90658%0.575SS**  trans-80.30.8172.5-144.6-95000113.6C198C198-Y200 PolarHBondContact O-N 3.05Å; C198-Y200 VanDerWaalsContact O-N 3.07Å
201I48.2Very low50.4Low132 Ų132107.1 Ų107.168%0.67757%0.573SS**SBendtrans-132.4139.4-179.5-57.8176.6000108.1C199 C203C199-I201 PolarHBondContact O-N 3.44Å; I201-C203 PolarHBondContact O-N 3.43Å
202R48.3Very low50Low228 Ų228107.3 Ų107.386%0.8658%0.58SS**  trans-70.8117.1174.2-77.5-174.9167.6116-2.9110.3
203C52Low50.2Low29 Ų29107.8 Ų107.820%0.19658%0.583CS.*  trans-94.2137.3175.5-179.80000111.3Q191 I201 C205Q191-C203 PolarHBondContact OE1-SG 3.34Å; I201-C203 PolarHBondContact O-N 3.43Å; C203-C205 PolarHBondContact O-N 3.44Å; C203-C205 PolarHBondContact SG-N 2.89Å; C203-C205 VanDerWaalsContact SG-N 3.4Å
204P55.3Low50.2Low120 Ų120111.9 Ų111.978%0.77960%0.596SS**THydrogen-bonded Turntrans-64-19175.326.2-35.2000114
205C47.8Very low50.3Low75 Ų75113.4 Ų113.451%0.50760%0.595SS.*THydrogen-bonded Turntrans-81.5-19.8-173.7-57.70000115.1C203C203-C205 PolarHBondContact O-N 3.44Å; C203-C205 PolarHBondContact SG-N 2.89Å; C203-C205 VanDerWaalsContact SG-N 3.4Å
206C50.5Low50.8Low36 Ų36108.4 Ų108.424%0.24358%0.579CS.*  trans-129.863.6-176.9-80.40000112.5C192 A208C192-C206 HydrophobicContact CB-CB 4.47Å; C192-C206 WeakPolarHBondContact CB-SG 3.36Å; C192-C206 WeakPolarHBondContact SG-CB 3.27Å; C192-C206 CovalentContact SG-SG 2.05Å; C192-C206 PolarHBondContact SG-SG 2.91Å; C206-A208 VanDerWaalsContact C-N 3.26Å; C206-A208 PolarHBondContact O-N 2.81Å
207P48.7Very low51.3Low122 Ų122103 Ų10379%0.79256%0.564SS**THydrogen-bonded Turntrans-67.6-16.7-171.727.9-36.8000115.4
208A48.5Very low52Low94 Ų94101.5 Ų101.578%0.77756%0.556SS**THydrogen-bonded Turntrans-110.9-9.1-174.200000115C206C206-A208 VanDerWaalsContact C-N 3.26Å; C206-A208 PolarHBondContact O-N 2.81Å
209R46.8Very low52.7Low211 Ų211104.4 Ų104.480%0.79655%0.554SS**  trans-14770.5-175.6-69.8-170.1178.9169.40.6112.2C211R209-C211 PolarHBondContact O-N 3.27Å
210C50.6Low53.2Low73 Ų73108.2 Ų108.249%0.49357%0.568SS.*  trans-68.5113.7159.3-64.50000108.5C212C210-C212 PolarHBondContact O-N 3.32Å
211C51.2Low54.5Low69 Ų69105.3 Ų105.347%0.46656%0.555SS.*  trans-73.564.2169.6-71.60000111.1R209 P213R209-C211 PolarHBondContact O-N 3.27Å; C211-P213 WeakPolarHBondContact O-CD 3.19Å
212C47.6Very low55.4Low66 Ų66106.7 Ų106.745%0.44655%0.553SS.*  trans-67.3125.4155.2-70.50000107.2C210 E214C210-C212 PolarHBondContact O-N 3.32Å; C212-E214 HydrophobicContact CB-CG 4.11Å; C212-E214 PolarHBondContact O-N 3.28Å
213P54Low56.6Low65 Ų65101.2 Ų101.242%0.42254%0.539SS..  trans-72.177.7165.330.9-33.4000107.9C211 E215 A216 L217C211-P213 WeakPolarHBondContact O-CD 3.19Å; P213-E215 PolarHBondContact O-N 2.8Å; P213-A216 HydrophobicContact CB-CB 3.9Å; P213-A216 HydrophobicContact CG-CB 4.14Å; P213-A216 WeakPolarHBondContact O-CB 3.23Å; P213-A216 PolarHBondContact O-N 3.42Å; P213-L217 PolarHBondContact O-N 3.33Å
214E54.4Low57.6Low151 Ų151106.9 Ų106.971%0.70656%0.56SS**Hα-helixtrans-56.6-35179.8-66.2-155.6133.800110.7C212 A216 L217 A218C212-E214 HydrophobicContact CB-CG 4.11Å; C212-E214 PolarHBondContact O-N 3.28Å; E214-A216 VanDerWaalsContact C-N 3.3Å; E214-A216 PolarHBondContact O-N 3.3Å; E214-L217 PolarHBondContact O-N 3.13Å; E214-A218 WeakPolarHBondContact O-CB 3.43Å; E214-A218 PolarHBondContact O-N 3.01Å
215E57.1Low58.2Low124 Ų124106.6 Ų106.658%0.57955%0.548SS*.Hα-helixtrans-59.4-35172-53.8-172.9175.500113.7P213 R219P213-E215 PolarHBondContact O-N 2.8Å; E215-R219 VanDerWaalsContact CB-NH1 3.26Å; E215-R219 WeakPolarHBondContact O-CB 3.12Å; E215-R219 WeakPolarHBondContact O-CD 3.06Å; E215-R219 WeakPolarHBondContact O-CG 3.12Å; E215-R219 PolarHBondContact O-N 2.87Å; E215-R219 IonicContact OE2-CZ 2.75Å; E215-R219 IonicContact OE2-NH1 2.71Å; E215-R219 PolarHBondContact OE2-NH1 2.82Å; E215-R219 IonicContact OE2-NH2 2.68Å; E215-R219 PolarHBondContact OE2-NH2 2.74Å
216A57.8Low59Low48 Ų48106 Ų10640%0.39755%0.549SS..Hα-helixtrans-75.2-41.6179.700000111.1P213 E214 R219 H220P213-A216 HydrophobicContact CB-CB 3.9Å; P213-A216 HydrophobicContact CG-CB 4.14Å; P213-A216 WeakPolarHBondContact O-CB 3.23Å; P213-A216 PolarHBondContact O-N 3.42Å; E214-A216 VanDerWaalsContact C-N 3.3Å; E214-A216 PolarHBondContact O-N 3.3Å; A216-R219 PolarHBondContact O-N 3.21Å; A216-H220 WeakPolarHBondContact O-CB 3.45Å; A216-H220 PolarHBondContact O-N 3.07Å
217L58.9Low59.9Low95 Ų95111.3 Ų111.350%0.49757%0.57SS.*Hα-helixtrans-68.6-34.6172.9-71.8173.6000111.9P213 E214 R221P213-L217 PolarHBondContact O-N 3.33Å; E214-L217 PolarHBondContact O-N 3.13Å; L217-R221 WeakPolarHBondContact O-CB 3.2Å; L217-R221 WeakPolarHBondContact O-CG 3.41Å; L217-R221 PolarHBondContact O-N 2.72Å
218A65.1Low60.4Low30 Ų30108.7 Ų108.725%0.24856%0.559CS.*Hα-helixtrans-66.2-51171.800000110.7E214 H220 R221 Y222E214-A218 WeakPolarHBondContact O-CB 3.43Å; E214-A218 PolarHBondContact O-N 3.01Å; A218-H220 VanDerWaalsContact C-N 3.27Å; A218-H220 PolarHBondContact O-N 2.75Å; A218-R221 PolarHBondContact O-N 3.35Å; A218-R221 VanDerWaalsContact O-N 3.09Å; A218-Y222 HydrophobicContact CB-CD2 4.2Å; A218-Y222 HydrophobicContact CB-CE2 4.03Å; A218-Y222 WeakPolarHBondContact O-CB 3.2Å; A218-Y222 WeakPolarHBondContact O-CD2 3.35Å; A218-Y222 PolarHBondContact O-N 3.29Å
219R65.3Low61Low157 Ų157109.8 Ų109.859%0.59255%0.551SS**Hα-helixtrans-54.2-42.2173.6-76.9167.1-172.3123.412.1111.5E215 A216 M223E215-R219 VanDerWaalsContact CB-NH1 3.26Å; E215-R219 WeakPolarHBondContact O-CB 3.12Å; E215-R219 WeakPolarHBondContact O-CD 3.06Å; E215-R219 WeakPolarHBondContact O-CG 3.12Å; E215-R219 PolarHBondContact O-N 2.87Å; E215-R219 IonicContact OE2-CZ 2.75Å; E215-R219 IonicContact OE2-NH1 2.71Å; E215-R219 PolarHBondContact OE2-NH1 2.82Å; E215-R219 IonicContact OE2-NH2 2.68Å; E215-R219 PolarHBondContact OE2-NH2 2.74Å; A216-R219 PolarHBondContact O-N 3.21Å; R219-M223 WeakPolarHBondContact O-CB 3.43Å; R219-M223 PolarHBondContact O-N 3.09Å
220H64.4Low61.5Low117 Ų117101.8 Ų101.854%0.54253%0.534SS..Hα-helixtrans-72.3-33.2177.5-159-38.3000113.3A216 A218 K224A216-H220 WeakPolarHBondContact O-CB 3.45Å; A216-H220 PolarHBondContact O-N 3.07Å; A218-H220 VanDerWaalsContact C-N 3.27Å; A218-H220 PolarHBondContact O-N 2.75Å; H220-K224 VanDerWaalsContact O-CB 3.27Å; H220-K224 WeakPolarHBondContact O-CB 3.1Å; H220-K224 PolarHBondContact O-N 3.37Å
221R72.5Confident61.7Low169 Ų169103 Ų10364%0.63854%0.541SS*.Hα-helixtrans-67.8-49.4171.7-75.1168.4-173.5167.43.4111.2L217 A218 M223 K224 Q225L217-R221 WeakPolarHBondContact O-CB 3.2Å; L217-R221 WeakPolarHBondContact O-CG 3.41Å; L217-R221 PolarHBondContact O-N 2.72Å; A218-R221 PolarHBondContact O-N 3.35Å; A218-R221 VanDerWaalsContact O-N 3.09Å; R221-M223 PolarHBondContact O-N 3.21Å; R221-K224 PolarHBondContact O-N 2.79Å; R221-Q225 WeakPolarHBondContact O-CB 3.43Å; R221-Q225 WeakPolarHBondContact O-CG 3.41Å; R221-Q225 PolarHBondContact O-N 3.48Å
222Y67.5Low61.9Low161 Ų161107.5 Ų107.563%0.63156%0.555SS**Hα-helixtrans-60.4-41.8175.1-71.3-52.5000111.8A218 Q225 A226A218-Y222 HydrophobicContact CB-CD2 4.2Å; A218-Y222 HydrophobicContact CB-CE2 4.03Å; A218-Y222 WeakPolarHBondContact O-CB 3.2Å; A218-Y222 WeakPolarHBondContact O-CD2 3.35Å; A218-Y222 PolarHBondContact O-N 3.29Å; Y222-Q225 PolarHBondContact O-N 2.9Å; Y222-A226 WeakPolarHBondContact O-CB 3.39Å; Y222-A226 PolarHBondContact O-N 3.2Å
223M71.6Confident62Low114 Ų114112.8 Ų112.856%0.56258%0.575SS**Hα-helixtrans-65.1-40.9175.2-169.4175.478.500111.4R219 R221 A226 Q227R219-M223 WeakPolarHBondContact O-CB 3.43Å; R219-M223 PolarHBondContact O-N 3.09Å; R221-M223 PolarHBondContact O-N 3.21Å; M223-A226 PolarHBondContact O-N 3.47Å; M223-Q227 WeakPolarHBondContact O-CB 3.38Å; M223-Q227 PolarHBondContact O-N 2.79Å
224K73.6Confident61.8Low148 Ų148118.1 Ų118.164%0.64360%0.597SS**Hα-helixtrans-68.3-32.8175.6-170.5171.7-177.7176.50112.8H220 R221 A228H220-K224 VanDerWaalsContact O-CB 3.27Å; H220-K224 WeakPolarHBondContact O-CB 3.1Å; H220-K224 PolarHBondContact O-N 3.37Å; R221-K224 PolarHBondContact O-N 2.79Å; K224-A228 WeakPolarHBondContact O-CB 3.31Å; K224-A228 PolarHBondContact O-N 2.98Å
225Q69.1Low61.3Low113 Ų113118.1 Ų118.153%0.52860%0.597SS.*Hα-helixtrans-73.6-44.6173.5-74.1170.3-41.300111.5R221 Y222 Q227 A228 L229R221-Q225 WeakPolarHBondContact O-CB 3.43Å; R221-Q225 WeakPolarHBondContact O-CG 3.41Å; R221-Q225 PolarHBondContact O-N 3.48Å; Y222-Q225 PolarHBondContact O-N 2.9Å; Q225-Q227 VanDerWaalsContact C-N 3.31Å; Q225-Q227 PolarHBondContact O-N 2.9Å; Q225-A228 CarbonylContact O-C 3.59Å; Q225-A228 WeakPolarHBondContact O-CA 3.16Å; Q225-A228 WeakPolarHBondContact O-CB 3.27Å; Q225-A228 PolarHBondContact O-N 2.76Å; Q225-L229 WeakPolarHBondContact O-CD1 3.46Å; Q225-L229 PolarHBondContact O-N 2.82Å
226A64.9Low60.3Low63 Ų63119.8 Ų119.852%0.52160%0.602SS.*Hα-helixtrans-63.8-35.5174.700000112Y222 M223 A228 L229 G230Y222-A226 WeakPolarHBondContact O-CB 3.39Å; Y222-A226 PolarHBondContact O-N 3.2Å; M223-A226 PolarHBondContact O-N 3.47Å; A226-A228 VanDerWaalsContact C-N 3.27Å; A226-A228 PolarHBondContact O-N 3.49Å; A226-L229 PolarHBondContact O-N 3.15Å; A226-G230 WeakPolarHBondContact O-CA 3.44Å; A226-G230 PolarHBondContact O-N 3.45Å
227Q67.4Low59.8Low147 Ų147124 Ų12469%0.68763%0.625SS**Hα-helixtrans-71-21.5172.3-167.9173.318.700112.7M223 Q225M223-Q227 WeakPolarHBondContact O-CB 3.38Å; M223-Q227 PolarHBondContact O-N 2.79Å; Q225-Q227 VanDerWaalsContact C-N 3.31Å; Q225-Q227 PolarHBondContact O-N 2.9Å
228A60.9Low58.9Low68 Ų68127.5 Ų127.556%0.56264%0.644SS**Hα-helixtrans-86.6-31.1172.900000113.4K224 Q225 A226K224-A228 WeakPolarHBondContact O-CB 3.31Å; K224-A228 PolarHBondContact O-N 2.98Å; Q225-A228 CarbonylContact O-C 3.59Å; Q225-A228 WeakPolarHBondContact O-CA 3.16Å; Q225-A228 WeakPolarHBondContact O-CB 3.27Å; Q225-A228 PolarHBondContact O-N 2.76Å; A226-A228 VanDerWaalsContact C-N 3.27Å; A226-A228 PolarHBondContact O-N 3.49Å
229L59.4Low57.4Low116 Ų116136.4 Ų136.461%0.60767%0.672SS**Hα-helixtrans-82.7-29.3172.1-85.583000112.9Q225 A226 P231 Q232Q225-L229 WeakPolarHBondContact O-CD1 3.46Å; Q225-L229 PolarHBondContact O-N 2.82Å; A226-L229 PolarHBondContact O-N 3.15Å; L229-P231 VanDerWaalsContact C-N 3.34Å; L229-Q232 PolarHBondContact O-N 3.11Å
230G58.8Low56Low43 Ų43140.6 Ų140.644%0.44369%0.688SS.*G310 helixtrans-51.4-35.8-175.300000116.4A226 Q232A226-G230 WeakPolarHBondContact O-CA 3.44Å; A226-G230 PolarHBondContact O-N 3.45Å; G230-Q232 PolarHBondContact O-N 3.48Å
231P54Low54.6Low98 Ų98137.4 Ų137.464%0.63669%0.687SS**G310 helixtrans-66.7-16.8175.9-22.334.4000114.8L229L229-P231 VanDerWaalsContact C-N 3.34Å
232Q54.9Low52.8Low165 Ų165134.1 Ų134.177%0.77170%0.696SS**G310 helixtrans-104.82.7-166.8-61.4-68.4-7.700114.5L229 G230L229-Q232 PolarHBondContact O-N 3.11Å; G230-Q232 PolarHBondContact O-N 3.48Å
233M50.2Low51.1Low177 Ų177133.5 Ų133.587%0.87270%0.704SS**SBendtrans-128.33.8179.7-82-173.3161.300114.7
234M49.6Very low49.4Very low177 Ų177138.1 Ų138.187%0.87272%0.715SS**  trans-108.856.8177.8-166.266.577.400111.5
235E44.2Very low47.4Very low150 Ų150136.4 Ų136.470%0.70172%0.722SS**  trans-122.5128.6169.9-149.2-155.8132.400110.1
236K36.3Very low45.8Very low160 Ų160137 Ų13770%0.69674%0.738SS**  trans70.989.6177.8-56165.3176.698.30116.5
237P47.5Very low44.5Very low135 Ų135142.9 Ų142.988%0.87776%0.755SS**PPolyproline II helixtrans-73.4126.9155.431.2-31.2000110
238L40.9Very low42.9Very low170 Ų170142.4 Ų142.489%0.8976%0.762SS**PPolyproline II helixtrans-102.5138.2168.6-87.1169.4000111.1
239Y32.8Very low41.5Very low216 Ų216144.7 Ų144.785%0.84777%0.774SS**PPolyproline II helixtrans-51.3128.5-173.2-169.7-92.3000114.6
240W35.2Very low40.2Very low245 Ų245143.8 Ų143.893%0.92878%0.777SS**  trans-138.2150.2152.2-158-97.5000111.1
241G35.3Very low38.9Very low50 Ų50152.1 Ų152.152%0.51580%0.797SS.*  trans-75.4158.6-16900000114.8
242A35.6Very low38Very low101 Ų101153.4 Ų153.484%0.83581%0.805SS**  trans-78.2155.717100000111.7
243D30.8Very low37.1Very low148 Ų148154 Ų15479%0.79181%0.81SS**  trans-154.1138.4143.4-124.7-22000113.8
244R35.4Very low36.3Very low210 Ų210153.8 Ų153.879%0.79281%0.806SS**  trans47.495158.2-44-170.782.7119.9-3.7121.2
245S32Very low35.7Very low112 Ų112150 Ų15078%0.78380%0.795SS**  55.6114.7122.665.70000121.9
246S35.1Very low35.1Very low125 Ų125150.2 Ų150.287%0.87480%0.8SS**  -155.3156.9118.668.20000112.5
247Q38.1Very low35Very low188 Ų188150.7 Ų150.788%0.87981%0.809SS**  trans-65.1138.6-164.5-57.2157.110.900115.1
248V33.2Very low34.2Very low137 Ų137152.3 Ų152.383%0.8381%0.805SS**  177.3142.4116.9150.30000109.1
249S31.8Very low33.8Very low116 Ų116154.4 Ų154.481%0.81180%0.801SS**  trans-117.3112.2-177.4-177.60000112.2
250S32.5Very low33.7Very low96 Ų96150.6 Ų150.667%0.67180%0.795SS**  trans-163.296.7161.654.30000111.9
251Y31.3Very low33.4Very low219 Ų219147.3 Ų147.386%0.85980%0.795SS**  trans13.4104.8159.5-59.2-85.6000120.1
252P36.3Very low33.1Very low124 Ų124149.8 Ų149.881%0.80580%0.804SS**PPolyproline II helixtrans-79.6126.1147.132.2-29.5000110.1H254P252-H254 PolarHBondContact O-N 2.75Å
253M35.6Very low32.9Very low178 Ų178153.6 Ų153.688%0.87781%0.81SS**PPolyproline II helixtrans-75.7121.9171.6-82.4-70.6-77.300110.4
254H32.2Very low32.7Very low173 Ų173157.6 Ų157.680%0.80181%0.814SS**PPolyproline II helixtrans-77.3129.4-175.5-156.8-74.6000111.3P252P252-H254 PolarHBondContact O-N 2.75Å
255P37.5Very low32.3Very low96 Ų96153.1 Ų153.162%0.62382%0.815SS**PPolyproline II helixtrans-75.6150.7171.332.3-34.2000111
256L32.6Very low32.3Very low155 Ų155153 Ų15381%0.81281%0.814SS**  trans61.2100.1169.2-50.5-179.9000117.1
257L34.1Very low32.2Very low171 Ų171155.2 Ų155.290%0.89582%0.815SS**  -73.8113.9125.7-79168.8000105.9
258Q29.9Very low32.2Very low168 Ų168151.1 Ų151.179%0.78581%0.805SS**  69.1109.182.3-157.274-100111
259R33.4Very low32Very low214 Ų214153.1 Ų153.181%0.80881%0.805SS**  trans-84.8155.9-176.5-115.5-176.4-178.191.2-1.3111.9
260D30.5Very low31.9Very low136 Ų136155.8 Ų155.873%0.72781%0.807SS**  trans53.1119150.1-47.8-27.8000119.6
261L29.1Very low32.2Very low177 Ų177156.3 Ų156.393%0.92781%0.808SS**  trans-157.5153130.3-109.9168.4000111.1
262S27.5Very low32.2Very low101 Ų101153.6 Ų153.671%0.70681%0.805SS**  trans-97.6152.5-163.358.70000115
263L31.6Very low31.7Very low181 Ų181152.7 Ų152.795%0.94880%0.798SS**  trans-146.8170.3147.5-124.5131.6000112.9
264R27.7Very low31.4Very low233 Ų233152.1 Ų152.188%0.87979%0.793SS**  trans-142.1106.7-140.3171.6-167.3-180172.30.4113.1
265S27.4Very low31.1Very low116 Ų116149.3 Ų149.381%0.81179%0.788SS**  trans-178.3153.816346.60000109.9
266S30.4Very low30.6Very low109 Ų109150.4 Ų150.476%0.76279%0.793SS**  cis-167132.4-24.446.90000109
267L34.4Very low30.4Very low171 Ų171149.3 Ų149.390%0.89579%0.788SS**  trans-81154.7166.8-91.2161.1000110.8
268P37.8Very low30.3Very low103 Ų103149 Ų14967%0.66978%0.782SS**  -145.7166.6121.839.1-25.3000116.4
269Q28.2Very low30.7Very low178 Ų178147 Ų14783%0.83278%0.783SS**  trans72.9146.9162.2-109.167.615.700121.8
270M30.3Very low31.2Very low172 Ų172142.6 Ų142.685%0.84778%0.782SS**  trans-133.3-176.8177-69.1-98.8-78.500105.8
271P39.3Very low31.9Very low108 Ų108143 Ų14370%0.70178%0.783SS**  cis-145.9-16811.144-23.2000117.3
272M29.8Very low32.9Very low161 Ų161140.2 Ų140.279%0.79377%0.773SS**  trans98.3139.1144.2-82.3-61.2-172.700123.8
273T27.1Very low34.2Very low106 Ų106141.2 Ų141.265%0.6577%0.771SS**  trans71.6109.8150.946.70000123.6
274Q27.8Very low35.8Very low165 Ų165135 Ų13577%0.77175%0.751SS**  91.3117.9122.7-71.2-176.586.400123.1
275T25.9Very low37.5Very low114 Ų114128.6 Ų128.670%0.69974%0.737SS**  trans76.5127.1133.655.20000123.6
276T27.9Very low39.1Very low120 Ų120129.4 Ų129.474%0.73673%0.732SS**  trans77.5136.3146.630.90000122.5
277N28.6Very low40.5Very low131 Ų131131.1 Ų131.170%0.70173%0.728SS**  trans77.4110.8149.6-61.1-5000120.8
278H31.8Very low42Very low165 Ų165129.9 Ų129.976%0.76471%0.712SS**  trans44.8119.8147.9-51.5-67.5000121
279P37.3Very low43.2Very low125 Ų125129.3 Ų129.381%0.81270%0.703SS**PPolyproline II helixtrans-75.4129.9167.131.4-32.5000111.6
280P44.3Very low45.2Very low122 Ų122125.6 Ų125.679%0.79269%0.686SS**PPolyproline II helixtrans-81157.2176.632.7-34.9000112.9
281I45.5Very low47Very low145 Ų145124.8 Ų124.874%0.74468%0.677SS**PPolyproline II helixtrans-99.5154.2179.5-65.9173.2000110.4N283I281-N283 PolarHBondContact O-N 2.87Å; I281-N283 PolarHBondContact O-OD1 3.02Å
282T50Low47.7Very low119 Ų119124 Ų12473%0.7366%0.664SS**  trans-42105.7-174.253.10000116.7
283N55.8Low48.7Very low121 Ų121122.7 Ų122.765%0.64766%0.66SS**THydrogen-bonded Turntrans-76.6-24.4177.8-73.2-19.1000115.2I281 V285 L286 E287I281-N283 PolarHBondContact O-N 2.87Å; I281-N283 PolarHBondContact O-OD1 3.02Å; N283-V285 VanDerWaalsContact C-N 3.26Å; N283-V285 PolarHBondContact O-N 2.82Å; N283-V285 VanDerWaalsContact O-N 3.08Å; N283-L286 WeakPolarHBondContact O-CB 3.19Å; N283-L286 PolarHBondContact O-N 3.07Å; N283-E287 PolarHBondContact O-N 3.43Å
284G64Low50Low52 Ų52126.9 Ų126.954%0.53666%0.664SS.*Hα-helixtrans-63.5-19.9-16700000116.6Y288G284-Y288 PolarHBondContact O-N 3.33Å
285V63.9Low50.9Low98 Ų98125.2 Ų125.259%0.59466%0.66SS**Hα-helixtrans-78.6-33.4174.5-1780000111.2N283 L289N283-V285 VanDerWaalsContact C-N 3.26Å; N283-V285 PolarHBondContact O-N 2.82Å; N283-V285 VanDerWaalsContact O-N 3.08Å; V285-L289 HydrophobicContact CG1-CD1 4.2Å; V285-L289 WeakPolarHBondContact O-CG 3.44Å; V285-L289 PolarHBondContact O-N 3.47Å; V285-L289 VanDerWaalsContact O-N 3.11Å
286L60.5Low51.9Low132 Ų132126 Ų12669%0.69166%0.659SS**Hα-helixtrans-70.3-41.2-180-153.778.3000111N283 Y288 L289 E290N283-L286 WeakPolarHBondContact O-CB 3.19Å; N283-L286 PolarHBondContact O-N 3.07Å; L286-Y288 VanDerWaalsContact C-N 3.32Å; L286-Y288 PolarHBondContact O-N 2.95Å; L286-L289 PolarHBondContact O-N 3.25Å; L286-E290 PolarHBondContact O-N 3.41Å
287E60.5Low52.4Low145 Ų145128.1 Ų128.168%0.67867%0.666SS**Hα-helixtrans-66.2-33178.6-161169.5-144.800112.2N283 K291N283-E287 PolarHBondContact O-N 3.43Å; E287-K291 WeakPolarHBondContact O-CB 3.15Å; E287-K291 PolarHBondContact O-N 2.9Å
288Y64.8Low53Low145 Ų145129.7 Ų129.757%0.56967%0.674SS**Hα-helixtrans-68.9-44170-175.2-114.7000111.9G284 L286 K291 E292G284-Y288 PolarHBondContact O-N 3.33Å; L286-Y288 VanDerWaalsContact C-N 3.32Å; L286-Y288 PolarHBondContact O-N 2.95Å; Y288-K291 WeakPolarHBondContact O-CB 3.39Å; Y288-K291 PolarHBondContact O-N 3.19Å; Y288-E292 PolarHBondContact O-N 2.76Å; Y288-E292 VanDerWaalsContact O-N 3.07Å
289L64.1Low53Low92 Ų92126.8 Ų126.848%0.48268%0.679SS.*Hα-helixtrans-66.4-36.4178.1-73.4168.3000113.4V285 L286 K291 E292 L293V285-L289 HydrophobicContact CG1-CD1 4.2Å; V285-L289 WeakPolarHBondContact O-CG 3.44Å; V285-L289 PolarHBondContact O-N 3.47Å; V285-L289 VanDerWaalsContact O-N 3.11Å; L286-L289 PolarHBondContact O-N 3.25Å; L289-K291 VanDerWaalsContact C-N 3.32Å; L289-E292 PolarHBondContact O-N 3.46Å; L289-L293 WeakPolarHBondContact O-CB 3.32Å; L289-L293 WeakPolarHBondContact O-CG 3.22Å; L289-L293 PolarHBondContact O-N 3.09Å
290E70.5Confident52.7Low100 Ų100130 Ų13047%0.46768%0.683SS.*Hα-helixtrans-63.3-39.9173.1-173.3-175.4146.200111.4L286 L293 R294L286-E290 PolarHBondContact O-N 3.41Å; E290-L293 PolarHBondContact O-N 3.19Å; E290-R294 PolarHBondContact O-N 2.99Å; E290-R294 VanDerWaalsContact O-N 3.09Å; E290-R294 IonicContact OE1-CZ 3.08Å; E290-R294 IonicContact OE1-NH1 3.8Å; E290-R294 PolarHBondContact OE1-NH1 3.11Å; E290-R294 IonicContact OE1-NH2 2.73Å; E290-R294 PolarHBondContact OE1-NH2 2.96Å
291K67Low52.1Low154 Ų154130.3 Ų130.367%0.6769%0.685SS**Hα-helixtrans-65.1-40.7179.1-166.9175-175.8177.10112.1E287 Y288 L289E287-K291 WeakPolarHBondContact O-CB 3.15Å; E287-K291 PolarHBondContact O-N 2.9Å; Y288-K291 WeakPolarHBondContact O-CB 3.39Å; Y288-K291 PolarHBondContact O-N 3.19Å; L289-K291 VanDerWaalsContact C-N 3.32Å
292E54.7Low51.2Low91 Ų91131 Ų13143%0.42569%0.689SS.*Hα-helixtrans-72.1-38.7176.2-128.464.1-163.200111.9Y288 L289 R294 N295Y288-E292 PolarHBondContact O-N 2.76Å; Y288-E292 VanDerWaalsContact O-N 3.07Å; L289-E292 PolarHBondContact O-N 3.46Å; E292-R294 PolarHBondContact O-N 3.46Å; E292-N295 VanDerWaalsContact O-CB 3.31Å; E292-N295 WeakPolarHBondContact O-CB 3.44Å; E292-N295 PolarHBondContact O-N 3.08Å; E292-N295 VanDerWaalsContact O-N 3.11Å
293L50.5Low50.7Low135 Ų135130.4 Ų130.471%0.70769%0.687SS**Hα-helixtrans-66.5-31.8178.6-84.2166.8000113.8L289 E290 N295 L296L289-L293 WeakPolarHBondContact O-CB 3.32Å; L289-L293 WeakPolarHBondContact O-CG 3.22Å; L289-L293 PolarHBondContact O-N 3.09Å; E290-L293 PolarHBondContact O-N 3.19Å; L293-N295 PolarHBondContact O-N 3.49Å; L293-N295 VanDerWaalsContact O-N 3.15Å; L293-L296 PolarHBondContact O-N 3.46Å
294R54.1Low49.9Very low193 Ų193130.2 Ų130.273%0.72869%0.693SS**THydrogen-bonded Turntrans-62.9-15.3172.3-83-162.5177.996.414.2113.8E290 E292E290-R294 PolarHBondContact O-N 2.99Å; E290-R294 VanDerWaalsContact O-N 3.09Å; E290-R294 IonicContact OE1-CZ 3.08Å; E290-R294 IonicContact OE1-NH1 3.8Å; E290-R294 PolarHBondContact OE1-NH1 3.11Å; E290-R294 IonicContact OE1-NH2 2.73Å; E290-R294 PolarHBondContact OE1-NH2 2.96Å; E292-R294 PolarHBondContact O-N 3.46Å
295N47.8Very low48Very low130 Ų130134.7 Ų134.770%0.69570%0.704SS**THydrogen-bonded Turntrans-93.2-5.9-172.8-139.49.3000113.6E292 L293E292-N295 VanDerWaalsContact O-CB 3.31Å; E292-N295 WeakPolarHBondContact O-CB 3.44Å; E292-N295 PolarHBondContact O-N 3.08Å; E292-N295 VanDerWaalsContact O-N 3.11Å; L293-N295 PolarHBondContact O-N 3.49Å; L293-N295 VanDerWaalsContact O-N 3.15Å
296L46.9Very low46.3Very low130 Ų130136.2 Ų136.268%0.68171%0.709SS**SBendtrans-144.379.4-168.6-68.7174.6000114.6L293L293-L296 PolarHBondContact O-N 3.46Å
297N38.9Very low44.7Very low165 Ų165139.4 Ų139.488%0.88272%0.717SS**  trans-172.8165.6133.2-109.4-74.3000114.1
298L41.2Very low43.1Very low165 Ų165136.3 Ų136.386%0.86472%0.724SS**  trans-105.8144.9-165.9-80.362.7000114.5
299A30.2Very low41.3Very low104 Ų104139.5 Ų139.586%0.8674%0.735SS**  trans-160.4143.1142.300000113.3
300Q31.9Very low39.6Very low191 Ų191143.8 Ų143.889%0.89375%0.75SS**  trans-44.1171.3179.1-85.8161.7-34.400119.2
301P30.9Very low37.5Very low130 Ų130142.4 Ų142.484%0.84476%0.762SS**  cis-137.7-155.730.242.1-20.7000117.8
302L26.5Very low35.8Very low158 Ų158144.2 Ų144.283%0.82777%0.773SS**  trans-150.9158.8-157.9178.577.7000109.9
303P41.1Very low35.1Very low107 Ų107145.3 Ų145.370%0.69579%0.788SS**  cis-115.3-160.1-38.243-26.5000110.3
304P38.3Very low34Very low117 Ų117144.6 Ų144.676%0.7679%0.793SS**  -151.8143.265.138.1-15.2000119.8
305D24.6Very low32.7Very low146 Ų146140.8 Ų140.878%0.78180%0.796SS**  trans66.5155.7137.8-143.110.6000125.9
306L27.3Very low32Very low131 Ų131142.5 Ų142.569%0.68680%0.802SS**  trans70.192.2157.8-77.4160.6000123.7
307K27.9Very low31.2Very low198 Ų198143.3 Ų143.386%0.86181%0.806SS**  77.3105.1115.2-166.3176.1-173174.40121.8
308G26.9Very low30.6Very low81 Ų81140.8 Ų140.884%0.83580%0.802SS**  trans177.8128.7157.800000116.9
309R26.3Very low29.9Very low212 Ų212138.4 Ų138.480%0.880%0.798SS**  trans-70.8159.9171.1-84.8144.657.7177.1-4.6111.1
310F28Very low30Very low182 Ų182141.4 Ų141.480%0.79880%0.799SS**  cis-153159.326.1-101.1-73000111.4
311G27.1Very low29.8Very low70 Ų70136.1 Ų136.172%0.72280%0.796SS**  trans152.5125.8160.900000116.4
312H30.2Very low29.6Very low192 Ų192135.3 Ų135.389%0.88979%0.794SS**  trans-137169.7174-83.3-21.5000108.8
313P41.1Very low30Very low115 Ų115137 Ų13775%0.74780%0.797SS**  cis-118.7-162.9-1.141.2-25000111.1
314C27.1Very low29.5Very low120 Ų120137.7 Ų137.781%0.81180%0.799SS**  cis-142161.410.9-85.40000110.5
315S27.3Very low29.4Very low113 Ų113138.2 Ų138.279%0.7980%0.8SS**  trans-133129.7177.9-620000114.8
316M32Very low29.7Very low165 Ų165137.2 Ų137.281%0.81379%0.79SS**  trans38.3122.4142.9-65.6-159.1-78.200123.5
317L29.4Very low29.8Very low147 Ų147139.3 Ų139.377%0.7779%0.789SS**  50.3126.7119.3-57.1173.9000122.2
318S27.8Very low30.1Very low113 Ų113142.1 Ų142.179%0.7979%0.794SS**  trans56.8118.3131.9-54.30000121.4
319S26.9Very low30.1Very low114 Ų114143 Ų14380%0.79778%0.779SS**  178.7165.6116.3-1620000112.4
320L31.3Very low30.5Very low167 Ų167140.9 Ų140.987%0.87478%0.782SS**  trans-48.3147.8-173.8-69.771.6000116.7
321G26.7Very low30.5Very low80 Ų80138.8 Ų138.883%0.82577%0.774SS**  trans-152.3132.116000000110.7
322S28.6Very low30.8Very low114 Ų114141.9 Ų141.980%0.79777%0.774SS**  trans-106.2137.2178.81570000109.5
323E33.7Very low31.5Very low193 Ų193137.9 Ų137.990%0.90277%0.765SS**  trans-146.7147.1159.7-141.7162.1-133.200113.2
324V30.7Very low31.7Very low122 Ų122137.8 Ų137.874%0.73976%0.764SS**  trans-122137.1176.1172.40000105.8
325V36.3Very low31.8Very low127 Ų127139.2 Ų139.277%0.7776%0.763SS**  trans173.2114143.3147.70000111.7
326E31.9Very low32.1Very low125 Ų125140.6 Ų140.658%0.58476%0.76SS**  trans51.1130.7137.3-54.4-144.5124.700125.5
327R29.1Very low32.1Very low176 Ų176142.1 Ų142.166%0.66476%0.756SS**  57.7118.8128.2-62.2171.4177.7152.9-4119.8I329R327-I329 HydrophobicContact CG-CD1 4.06Å; R327-I329 HydrophobicContact CG-CG1 4.45Å
328R34.7Very low32.1Very low256 Ų256139.9 Ų139.997%0.96675%0.745SS**  -130.1148.5114.1-113.8175.5-75.5-151-0.9110.1
329I26.1Very low32.2Very low99 Ų99141.1 Ų141.151%0.50874%0.742SS.*  trans-130136.7-166.7-68.2170.2000108.9R327 H331R327-I329 HydrophobicContact CG-CD1 4.06Å; R327-I329 HydrophobicContact CG-CG1 4.45Å; I329-H331 WeakPolarHBondContact CG2-CE1 3.42Å; I329-H331 WeakPolarHBondContact CG2-ND1 3.36Å
330I33.9Very low32.1Very low169 Ų169139.7 Ų139.787%0.86773%0.732SS**  trans-133.2154.7162.6-63-175.2000108.8
331H27.7Very low31.9Very low137 Ų137137.3 Ų137.363%0.63473%0.73SS**  trans-150.4158.9-155.3-85.82.5000109.4I329I329-H331 WeakPolarHBondContact CG2-CE1 3.42Å; I329-H331 WeakPolarHBondContact CG2-ND1 3.36Å
332L34.4Very low31.9Very low135 Ų135138.3 Ų138.371%0.70772%0.724SS**  cis-174.4-179.5-5.5-107.3175000106.1
333P44Very low31.8Very low109 Ų109143.1 Ų143.171%0.70873%0.725SS**  cis-133.7-149.4-23.943.3-23.7000110.4
334P46.1Very low31.4Very low112 Ų112143.7 Ų143.773%0.72772%0.719SS**  trans-124.5-160-168.346.1-33.5000115.3
335L30.3Very low31.2Very low151 Ų151144 Ų14479%0.79172%0.721SS**  trans-131121.7160.6-66.7175.4000107.6
336I31.7Very low30.6Very low141 Ų141142.3 Ų142.372%0.72372%0.715SS**  68.9130.689.8-71.2178.7000112.6
337R32.8Very low30.3Very low197 Ų197143.3 Ų143.374%0.74373%0.725SS**  cis-168.7165.9-5.6-104178.2101.2135.311.5107.3
338D28.9Very low30.1Very low100 Ų100139.8 Ų139.854%0.53573%0.727SS.*  cis-156.6174.6-0.7-138.7-4.8000115.9
339L30.9Very low29.8Very low139 Ų139135.1 Ų135.173%0.72872%0.72SS**  trans-30.8167.1147.8-64.5164.2000118.6
340S25.4Very low29.9Very low84 Ų84137.1 Ų137.159%0.58773%0.727SS**  cis178.5148.4-19.858.60000112.8
341S26.4Very low29.7Very low117 Ų117136.6 Ų136.682%0.81872%0.721SS**  trans63.3171.7151.8840000118.1
342S26.6Very low29.6Very low102 Ų102139.6 Ų139.671%0.71374%0.735SS**  cis-177.1145.7-34.1174.40000109.8
343R26.6Very low29.2Very low214 Ų214144 Ų14481%0.80874%0.743SS**  trans72.4149.4151.2166.5-178.5-70.9-162.2-3.7120.4
344R25.4Very low28.5Very low205 Ų205145.5 Ų145.577%0.77474%0.744SS**  trans99114.5154.6-103.7172.6-166.5152.90.4120.4
345T25.2Very low27.8Very low128 Ų128145.9 Ų145.979%0.78574%0.744SS**  trans61.2148.9135.346.50000120.2
346S25.4Very low28.2Very low92 Ų92144.1 Ų144.164%0.64374%0.742SS**  cis-167.2155.8-3.636.90000111.8
347D24.7Very low28Very low147 Ų147144.1 Ų144.179%0.78674%0.742SS**  trans49.7105.8144.6-51.6-27.4000123.4
348S25.8Very low27.5Very low101 Ų101143.1 Ų143.171%0.70675%0.745SS**  70.4124.2122.474.50000124.1
349L28.6Very low27.3Very low159 Ų159143.1 Ų143.183%0.83275%0.753SS**  trans69152.9146.9-56162.8000117
350H27.3Very low27.3Very low141 Ų141145.5 Ų145.565%0.65375%0.752SS**  cis-147.7170.18.3-150.453.6000113.2
351Q29.8Very low28.2Very low157 Ų157146.9 Ų146.973%0.73476%0.76SS**  trans-10.8146.9169-61.1171.1-200121.8
352Q26.1Very low28.5Very low201 Ų201149.6 Ų149.694%0.93975%0.752SS**  -157.7-168.4114.8-122.6175.20.300115
353W25.9Very low28.8Very low228 Ų228151 Ų15186%0.86475%0.751SS**  trans-138.2179.5-145.4-149.754.7000114
354L28.6Very low29Very low139 Ų139148.6 Ų148.673%0.72875%0.754SS**  trans91.1156.7163.3-66.6167.6000122.3
355T30.8Very low29.3Very low121 Ų121148.8 Ų148.874%0.74276%0.755SS**  trans-123.5173.5-174.950.80000111.6
356P39.3Very low29.6Very low114 Ų114149.5 Ų149.574%0.7475%0.753SS**  trans-133.4128.5138.131.5-17.2000113.2
357I26.6Very low29.8Very low140 Ų140148.3 Ų148.372%0.71876%0.756SS**  66.9110.987.1-50.6153.3000115.3
358H23.7Very low30.1Very low177 Ų177153.2 Ų153.282%0.81976%0.763SS**  -174.7168.7114.9-115.3-77.9000116.8
359S24.1Very low30.3Very low100 Ų100158.5 Ų158.570%0.69977%0.768SS**  trans-65.9156.3-159.241.80000123.6
360R31.1Very low30.4Very low188 Ų188158 Ų15871%0.70976%0.761SS**  trans-47.6169.4155.7-103.2178.1-179.7168.1-2.2115.3
361P44.2Very low30.5Very low114 Ų114159.4 Ų159.474%0.7477%0.768SS**  cis-153155.149.440.7-18.3000122.8
362W33.3Very low30.5Very low173 Ų173159.7 Ų159.766%0.65577%0.769SS**  trans35.4127.9142.6-57.1121.2000127.3
363D31.8Very low30.9Very low131 Ų131158.2 Ų158.270%0.70176%0.756SS**  trans65.1118.1131.9-62.2-19.2000125.6
364L32.1Very low32.1Very low165 Ų165152.7 Ų152.786%0.86475%0.749SS**  -153.5164.9115.7-136.178.1000113.4
365R30.4Very low32.6Very low209 Ų209152.1 Ų152.179%0.78975%0.747SS**  trans-45.4167.6178-72.4167.5-174.5-87.3-0.1118
366D31.4Very low32.4Very low142 Ų142155.9 Ų155.976%0.75975%0.753SS**  cis-149.7166.31.3-127.2-52.7000110.9
367G31Very low32.3Very low67 Ų67158.8 Ų158.869%0.69176%0.757SS**  trans-111.8178-159.400000120.2
368R31Very low32.4Very low250 Ų250161.1 Ų161.194%0.94376%0.764SS**  trans-158.3160.6150-152.9162.5-75.7-145.50.9111.8
369R30.1Very low32.6Very low212 Ų212160.6 Ų160.680%0.876%0.762SS**  trans-84.6146-170-62.6-177-171.5164.91.8113
370Q30.5Very low32.9Very low148 Ų148162.1 Ų162.169%0.69276%0.762SS**  52.514687.2-42.5167-70.300114.3
371H28.7Very low32.8Very low171 Ų171160.5 Ų160.579%0.79276%0.763SS**  cis-144.1-162.932.2-89.3-80.1000114.6
372H30.4Very low32Very low163 Ų163161.4 Ų161.476%0.75576%0.761SS**  trans-148.9144.4-162.5152.494.8000112.6
373Y33.9Very low31.7Very low170 Ų170164.9 Ų164.967%0.66777%0.774SS**  trans63.5161.1170.8-109-112.4000116.9D375Y373-D375 WeakPolarHBondContact CE1-OD2 3.49Å
374P51.1Low31.4Very low112 Ų112161.9 Ų161.973%0.72778%0.775SS**  -147.7170.47141.9-22.9000118.4
375D39.5Very low32.5Very low128 Ų128159.9 Ų159.968%0.68477%0.771SS**  trans-94.6158.1153.4-74.3-61.2000110Y373Y373-D375 WeakPolarHBondContact CE1-OD2 3.49Å
376F25.7Very low32.4Very low199 Ų199159.1 Ų159.187%0.87377%0.774SS**  trans-162.9155.6157.1-115.9-74.3000115.4
377H37.3Very low32.2Very low175 Ų175157 Ų15781%0.8177%0.77SS**  trans-126.8138.4173.3-109.7-89.9000109.7
378Q28.8Very low32.1Very low189 Ų189166.1 Ų166.188%0.88378%0.784SS**  trans-167.1-174.9148.4-142.670.870.700110.9
379E29Very low32Very low166 Ų166158.2 Ų158.278%0.77677%0.772SS**  trans-143.7-178.1-158.7-151.5-176.7120.700112.9
380L30.7Very low32.1Very low133 Ų133155.3 Ų155.370%0.69677%0.771SS**  trans75.3144.8175.9-93.865.9000116.6
381Q28.7Very low32Very low154 Ų154154.5 Ų154.572%0.7277%0.768SS**  cis-156.5164.2-0.2-157175.666.900112.5
382D27.4Very low31.9Very low133 Ų133155 Ų15571%0.71176%0.762SS**  trans64.7100148.1-105.139000123.6
383R26.9Very low31.8Very low245 Ų245155.4 Ų155.493%0.92576%0.757SS**  161.8145.3117.2-91.7-178.6169.9-175.9-2.3113.5
384G25.7Very low31.7Very low69 Ų69153.8 Ų153.871%0.71176%0.756SS**  trans-136.9-156.7160.500000110.3
385P54.8Low30.7Very low122 Ų122156.7 Ų156.779%0.79277%0.765SS**  cis-132.1165.4-30.339.9-26.5000113
386K28.5Very low30.3Very low194 Ų194157.2 Ų157.284%0.84377%0.767SS**  trans173.3130.5158.2-95144-174.2179.70107.2
387S27.4Very low31.2Very low97 Ų97154 Ų15468%0.67877%0.766SS**  cis71.1100.747.883.20000114.8
388W27.9Very low30.9Very low259 Ų259150.6 Ų150.698%0.98176%0.762SS**  trans-153.6161.9151.2-94.1104.5000109.2
389A28.4Very low30.7Very low84 Ų84153.5 Ų153.569%0.69477%0.765SS**  trans-149.2-179.6-176.800000110.8
390L32.2Very low30.8Very low150 Ų150150.1 Ų150.179%0.78576%0.76SS**  trans88.8142.7161.4-120.2162.5000118.7
391E28.1Very low30.6Very low132 Ų132147.3 Ų147.362%0.61776%0.763SS**  trans84.7100.9156.2-133.1137.5-166.300117.7
392R27.2Very low30.6Very low181 Ų181150.5 Ų150.568%0.68377%0.768SS**  81.1138.375.6-161.8-169.5-108.2165.6-11.4110
393R29.5Very low30.6Very low172 Ų172151.6 Ų151.665%0.64977%0.769SS**  cis-165155.648.3-166.5174.9-90.9-100.513.4113.6
394E29.8Very low30.9Very low135 Ų135150.9 Ų150.963%0.63177%0.766SS**  trans25.9135.4155.7-69.5137.5-137.500122.7
395L30.7Very low31Very low174 Ų174152.1 Ų152.191%0.91176%0.764SS**  -163.2147.694.9-100.8168.5000112.4
396D31.7Very low29.9Very low139 Ų139151.1 Ų151.174%0.74376%0.76SS**  trans-145.7149.8-174.3-157.431.5000108
397P44.2Very low29.9Very low130 Ų130153.1 Ų153.184%0.84476%0.762SS**  trans-140.3155.2140.133.2-17.5000115
398S31.4Very low30.1Very low105 Ų105156.1 Ų156.173%0.73477%0.77SS**  trans-123.2170-165.258.30000114
399W25.3Very low30.2Very low250 Ų250151.2 Ų151.295%0.94776%0.763SS**  trans-168.3155161.1-115.743.4000110.4
400S30.4Very low30.2Very low95 Ų95151 Ų15166%0.66477%0.768SS**  cis-167.4160.9-34.965.30000111.5
401G26.2Very low30.3Very low73 Ų73149.6 Ų149.675%0.75377%0.771SS**  trans99.4121.7171.800000115.9
402R29.2Very low31.3Very low221 Ų221148.8 Ų148.883%0.83478%0.777SS**  cis86.9123.520.4-148.1177.5-70.1-161.40.4112.6
403H28Very low31.5Very low157 Ų157147 Ų14773%0.72778%0.78SS**  -158.2146.266.5-82.1-98.6000112.1
404R31.6Very low31.3Very low229 Ų229146.5 Ų146.586%0.86479%0.785SS**  48.4141.593.3-72.5-170.3179.1-176.4-0.4117.2
405S28.4Very low31.2Very low96 Ų96150 Ų15067%0.67179%0.792SS**  cis-176.1148.5-1048.40000115.1
406S30.9Very low31.1Very low100 Ų100145.6 Ų145.670%0.69978%0.776SS**  trans59.3124.2146.666.60000124
407R29Very low31.1Very low236 Ų236146.4 Ų146.489%0.89178%0.78SS**  161124.9113.2-89.5-174.6-176.1-156.22.5113.1
408L32.5Very low30.4Very low161 Ų161150.2 Ų150.284%0.84378%0.778SS**  173.1158.6122.5-96.7163.4000114
409N30Very low30.4Very low156 Ų156150.6 Ų150.683%0.83477%0.772SS**  trans-57165.1-166.1-53.3-14000118.8
410G28.6Very low30.6Very low78 Ų78143.5 Ų143.580%0.80476%0.76SS**  trans12685.5136.500000117.3
411S32.6Very low30.6Very low121 Ų121146.9 Ų146.985%0.84677%0.77SS**  trans-109.9164.6176-60.10000112.1
412P50.9Low30.8Very low115 Ų115147.9 Ų147.975%0.74777%0.765SS**  trans-101.9-144.5-15741.9-37.9000114.8
413I29.6Very low30.9Very low144 Ų144144.9 Ų144.974%0.73877%0.766SS**  trans93.1142.4-177.1-51.3154.5000110.8
414H25.5Very low31Very low162 Ų162143.9 Ų143.975%0.7577%0.771SS**  cis-155.7142.447.4-155.8-94.8000109.2
415W28.7Very low31.7Very low209 Ų209138.6 Ų138.679%0.79277%0.766SS**  76.611058.2-80.583000117.5
416S28Very low31.6Very low81 Ų81138.6 Ų138.657%0.56677%0.766SS**  trans26.1126.3147.163.60000126
417D32.6Very low31.4Very low156 Ų156138.6 Ų138.683%0.83477%0.766SS**  66.3151.7125.3-74.1-43.7000126.7
418R29.7Very low31.5Very low209 Ų209132.8 Ų132.879%0.78976%0.761SS**  trans77.7145.9170.6-60.3-168.274.4175-6.3116.7
419D30.3Very low31.4Very low114 Ų114132.7 Ų132.761%0.6176%0.756SS**  cis-156.2169.39.3-125.5-1.3000113
420S30.7Very low31.4Very low100 Ų100128.3 Ų128.370%0.69974%0.742SS**  trans93.5115.4158.1-47.70000122.1
421L30.6Very low31.4Very low166 Ų166133.1 Ų133.187%0.86974%0.736SS**  trans45.6138.8130.7-58.5165.4000120.2
422S29.9Very low31.2Very low95 Ų95138 Ų13866%0.66474%0.736SS**  cis-154.1176.742.3-59.20000115.4
423D31.3Very low30.3Very low158 Ų158143.2 Ų143.285%0.84574%0.741SS**  trans80143153.8-56.2-29.8000122.7
424V29.4Very low30.8Very low136 Ų136141.3 Ų141.382%0.82474%0.738SS**  trans-161156.2-1631580000105.6
425P47Very low30.8Very low117 Ų117138.7 Ų138.776%0.7674%0.738SS**  cis-123.5-172.710.927.9-2.5000113.3
426S25.7Very low30.8Very low96 Ų96137.2 Ų137.267%0.67174%0.739SS**  168143.767.4-174.60000116.1
427S27.5Very low31.8Very low101 Ų101138.9 Ų138.971%0.70675%0.748SS**  trans71160.4140.858.80000124.2
428S31.5Very low32.8Very low113 Ų113136 Ų13679%0.7974%0.737SS**  trans74.6119.2-178.971.90000114.5
429E29.8Very low32.7Very low159 Ų159135.2 Ų135.274%0.74374%0.74SS**  cis59.9134.527.1-86.1-13899.800115.1R431E429-R431 IonicContact OE1-CZ 2.83Å; E429-R431 IonicContact OE1-NE 3.78Å; E429-R431 IonicContact OE1-NH2 2.86Å; E429-R431 PolarHBondContact OE1-NH2 3.32Å
430A30.3Very low32.7Very low64 Ų64140.5 Ų140.553%0.52975%0.752SS.*  cis-166.2-175.1-9.600000109.9
431R27.9Very low32.6Very low180 Ų180140.7 Ų140.768%0.67975%0.753SS**  trans39.2136.1147-64.6166.5-105.5-152.4-1.7118.6E429E429-R431 IonicContact OE1-CZ 2.83Å; E429-R431 IonicContact OE1-NE 3.78Å; E429-R431 IonicContact OE1-NH2 2.86Å; E429-R431 PolarHBondContact OE1-NH2 3.32Å
432W28Very low32.6Very low223 Ų223143.8 Ų143.885%0.84575%0.753SS**  -170155.663.1-79.694.3000113.2
433R32.8Very low32.4Very low225 Ų225144 Ų14485%0.84975%0.754SS**  trans-104.9149.5146.4-87.8-81.5-155.9178.34.1106.3
434P39.5Very low32.4Very low104 Ų104143.9 Ų143.968%0.67575%0.748SS**  -158.2178.288.938.1-16.3000118.3
435S25.1Very low32.3Very low107 Ų107143.9 Ų143.975%0.74874%0.739SS**  trans68.5130.5144.450.10000123.9
436H29Very low31.4Very low177 Ų177148.5 Ų148.582%0.81974%0.741SS**  trans-88.7-156.8154.7-41-101.8000109.1
437P49Very low32.3Very low117 Ų117149.1 Ų149.176%0.7674%0.743SS**  cis-129.4-127.5-16.935.6-11.2000109
438P53.2Low32.3Very low94 Ų94151.8 Ų151.861%0.6174%0.744SS**  cis-133.2171-3436.7-19.4000116.1
439F28.6Very low32.1Very low193 Ų193157.2 Ų157.285%0.84675%0.747SS**  -174.2121.4128.5-102.5-75.6000106.3
440R29.5Very low31.9Very low225 Ų225156 Ų15685%0.84975%0.745SS**  52.2135.163.9-79.3-169.5175.2-174.10.7113.3
441S28.8Very low31.8Very low105 Ų105158 Ų15873%0.73476%0.755SS**  cis-166.5-174.8-8.554.80000108.1
442R29.8Very low32.8Very low230 Ų230154.4 Ų154.487%0.86876%0.755SS**  cis-158.8-173.215.4-156.5173.9168.9174.4-2.9111
443C27.2Very low32.9Very low100 Ų100153.7 Ų153.768%0.67675%0.752SS**  trans-72.9-175178.7-37.90000114.9
444Q30.8Very low32.8Very low156 Ų156149.6 Ų149.673%0.72974%0.743SS**  cis-166.3-171.114.9-139.1157.4-49.600108.7
445E27.4Very low32.4Very low136 Ų136148.9 Ų148.964%0.63674%0.74SS**  cis-157.6-125.33.8-171.134.1-83.700111.6
446R28.9Very low32.9Very low213 Ų213149.5 Ų149.580%0.80474%0.74SS**  trans-151.6-178-177-90.8-179.4165.9179-1.7107.8
447P43Very low33.2Very low109 Ų109147.8 Ų147.871%0.70873%0.732SS**  cis-146.5-179.416.842.9-20.7000119.8
448H28.1Very low32.3Very low158 Ų158151.4 Ų151.473%0.73173%0.73SS**  trans25.6134.5149.1-54.4-44.8000128.2
449R26.8Very low31.3Very low227 Ų227155.5 Ų155.586%0.85774%0.741SS**  trans68.7160135.6-75.5-178.2170.7168.5-1.9119.5
450L26.7Very low31.5Very low134 Ų134149.6 Ų149.670%0.70274%0.735SS**  cis-162.9131.33.1-125.4169.3000113.9
451S28.4Very low31.6Very low104 Ų104149.4 Ų149.473%0.72773%0.734SS**  trans51.7-174.2149.6770000121.1
452P47.5Very low31.7Very low105 Ų105153.9 Ų153.968%0.68274%0.735SS**  cis-137.8-179.7-11.742.1-24.8000117.7
453R31Very low31.8Very low209 Ų209152.7 Ų152.779%0.78973%0.73SS**  trans69.8154.6150-89.1-177.3151.9-171-26120
454E30.8Very low32.1Very low138 Ų138158.4 Ų158.465%0.64574%0.738SS**  cis-157.6155.6-17.5-145.9152.7-140.900106.4
455S30.1Very low32Very low90 Ų90159.3 Ų159.363%0.62974%0.742SS**  173.5153.75751.50000111.8
456T36Very low32Very low119 Ų119164.3 Ų164.373%0.7376%0.755SS**  trans53.2144.9155.158.80000120.7
457Q36.7Very low32.2Very low141 Ų141158.3 Ų158.366%0.65975%0.746SS**  cis-169.5166.3-0.6-113.9-176109.900107.9
458R29.3Very low31.6Very low193 Ų193163.8 Ų163.873%0.72875%0.754SS**  cis-146.6-104.7-11.2-159.5179.8-168.7129.6-9.1110.5
459H31.5Very low32Very low180 Ų180161.4 Ų161.483%0.83376%0.755SS**  trans-150.3166.2-172.8-50.4-43000110
460G32.6Very low33.5Very low70 Ų70156.4 Ų156.472%0.72275%0.752SS**  cis161.2163.2-9.500000115.1
461R32.4Very low34.6Very low221 Ų221155.4 Ų155.483%0.83475%0.753SS**  trans46.6122.9154.1-73.6-172.5172.7-161.5-1.7123.4
462R31.4Very low34.8Very low198 Ų198158.2 Ų158.275%0.74776%0.759SS**  93.1114.2128.2-77.6179.3170.4-167.2-2.2123.4
463R31.7Very low34.8Very low205 Ų205158.4 Ų158.477%0.77476%0.76SS**  62.9114.5125.2-77.8-173169.5-169.1-3.3122.2
464R32.1Very low34.7Very low220 Ų220153.8 Ų153.883%0.8376%0.761SS**  155.1157.9103.9-101.4173.7172.9176.3-3.5115.7
465H29.7Very low34.5Very low175 Ų175150.7 Ų150.781%0.8177%0.765SS**  trans-58.7149.1-170.3-51.9-101.5000120.7
466R27.6Very low34.6Very low242 Ų242155 Ų15591%0.91378%0.78SS**  172.6154.1128.6-99.2174.8170.1155.4-4.1109.5
467S33.8Very low34.2Very low87 Ų87154.2 Ų154.261%0.60878%0.78SS**  cis-175.1157.9-31.243.20000110.3
468Y29.6Very low34Very low223 Ų223152.5 Ų152.588%0.87578%0.783SS**  trans87.2157.4172.5-69.5-81.2000120.3
469S36.1Very low33.9Very low108 Ų108155.4 Ų155.476%0.75579%0.794SS**  trans-157.1174.6-172-47.40000107.6
470P58.2Low33.7Very low123 Ų123151.6 Ų151.680%0.79979%0.788SS**  cis-117.2-136.95.832.1-6.9000109.3
471P50.2Low33.7Very low113 Ų113153 Ų15373%0.73479%0.786SS**  cis-137.5-137-6.944.1-21.8000114.8
472L33.8Very low33.5Very low162 Ų162150.3 Ų150.385%0.84878%0.784SS**  trans-135.7-176.5177.3-66.5116.2000107.7
473P47.3Very low33.7Very low109 Ų109149.4 Ų149.471%0.70879%0.788SS**  cis-138.9-178.3339.4-18.5000117
474S28.4Very low33.8Very low113 Ų113145.2 Ų145.279%0.7978%0.781SS**  trans55.4132143.1650000123
475G26.3Very low33.8Very low72 Ų72142 Ų14274%0.74277%0.773SS**  trans126.8119.5136.200000116.6
476L31.9Very low33.9Very low181 Ų181140.7 Ų140.795%0.94877%0.767SS**  trans-161.7151151.6-115.5156.2000110.4
477S28.9Very low33.9Very low103 Ų103141 Ų14172%0.7277%0.768SS**  trans-138.6154.3-168.353.40000111.4
478S31.8Very low33.7Very low104 Ų104145.8 Ų145.873%0.72778%0.781SS**  trans45.9127.5149.4-162.90000120.7
479W27.1Very low34.5Very low254 Ų254139.4 Ų139.496%0.96277%0.767SS**  trans-160140.4134.9-84.5-2.6000105.2
480S26.8Very low34.3Very low101 Ų101142.8 Ų142.871%0.70677%0.771SS**  cis83131.433-163.20000113.6
481S32Very low32.8Very low98 Ų98140.8 Ų140.869%0.68576%0.76SS**  cis-104.3-100.8-4-171.40000114.7
482E29.6Very low31.8Very low166 Ų166147.4 Ų147.478%0.77677%0.77SS**  cis-145.8-167.99.5-138.195.7118.900112.1
483E34.5Very low31.6Very low179 Ų179143.2 Ų143.284%0.83677%0.766SS**  trans-95.7160.8-169.5-40-172.114300111.9
484D34.5Very low30.9Very low116 Ų116142.9 Ų142.962%0.6277%0.772SS**  cis-164.7179.434.5-150.9-2.7000107
485K31.4Very low31.1Very low152 Ų152146.4 Ų146.466%0.66178%0.776SS**  cis-149.9-140.84.9-162.3148.5-144.470.50112.1
486E32.1Very low31.3Very low148 Ų148155.1 Ų155.169%0.69279%0.787SS**  trans-113.3149.1-157.6-57.515693.800115.5
487R27.4Very low31.3Very low250 Ų250158.3 Ų158.394%0.94379%0.786SS**  -175.2158.9109.6-95.1167.7-168.7-176.75.1112
488Q29.2Very low31.3Very low186 Ų186165.1 Ų165.187%0.86980%0.796SS**  trans-139.3-178.6-169.6-119.2-164.818.800109.1
489P46.9Very low31Very low89 Ų89166.2 Ų166.258%0.57880%0.804SS**  cis-138.3-161.1-1.734.1-10.1000115.1
490Q31.3Very low31.1Very low180 Ų180163 Ų16384%0.84180%0.799SS**  trans80.6141.9157.7-69.9172.13.800118.8
491S27.2Very low31.2Very low81 Ų81162.9 Ų162.957%0.56680%0.798SS**  cis-165.1163-8.147.90000113.7
492W29.6Very low31.4Very low251 Ų251163.8 Ų163.895%0.95180%0.802SS**  trans63.8149.3175.9-4290000115.2
493G29.8Very low31.3Very low74 Ų74163.7 Ų163.776%0.76380%0.801SS**  cis119.6125.612.100000109.6
494A32.4Very low31.1Very low102 Ų102165.8 Ų165.884%0.84380%0.801SS**  cis-154.6179.25.100000112
495H32.5Very low31.3Very low188 Ų188164.8 Ų164.887%0.8780%0.801SS**  trans-73.2152.6-174.6-53.3-82000116.1
496R30.9Very low31.5Very low254 Ų254166 Ų16696%0.95881%0.809SS**  trans-142.8167.9143-104.2174.1-158.6-138.22.2111.5
497R30.9Very low31.7Very low249 Ų249168.2 Ų168.294%0.9482%0.82SS**  trans-99.4159.7-155.5-69.5-173.7176.6-165.80.1115.7
498R29.1Very low32.1Very low246 Ų246165.5 Ų165.593%0.92881%0.814SS**  trans-44.7146.4169.3-57.1170.4176.3166.8-4114.6
499S26.4Very low32.6Very low127 Ų127161.7 Ų161.789%0.88881%0.806SS**  -140.1144.5127.253.40000108.4
500H29.7Very low32.5Very low185 Ų185163.8 Ų163.886%0.85682%0.819SS**  trans-131.8132.3-174.4-167.8-33.9000108.1
501S28.6Very low32.5Very low99 Ų99160.5 Ų160.569%0.69282%0.817SS**  trans-127.6156168.550.90000109.6
502P35.9Very low32.7Very low118 Ų118167.4 Ų167.477%0.76683%0.832SS**PPolyproline II helixtrans-84.6139.5-178.9-7.626.9000111.3
503H26.8Very low32.8Very low163 Ų163166.5 Ų166.576%0.75583%0.828SS**PPolyproline II helixtrans-100.2117172.417545000109.8
504W31.5Very low32.9Very low224 Ų224166.6 Ų166.685%0.84882%0.817SS**PPolyproline II helixtrans-84.6124.9156.8-69.9103000108.2E506W504-E506 PolarHBondContact O-N 2.73Å
505P37.8Very low32.9Very low95 Ų95169.9 Ų169.962%0.61782%0.82SS**  trans-84.2108.6171.931.3-30.1000110.1E507P505-E507 PolarHBondContact O-N 2.71Å
506E36.1Very low33Very low176 Ų176167.5 Ų167.582%0.82281%0.813SS**  trans-71.1119.5172.7-143.789163.400109.8W504 K508W504-E506 PolarHBondContact O-N 2.73Å; E506-K508 PolarHBondContact O-N 3.26Å
507E36.3Very low33.4Very low196 Ų196162 Ų16292%0.91681%0.808SS**  trans-72114.1175.6-76.5-165126.200111.2P505P505-E507 PolarHBondContact O-N 2.71Å
508K35.3Very low33.5Very low192 Ų192156.2 Ų156.284%0.83580%0.8SS**PPolyproline II helixtrans-97124.4173.1-173.6178.1-179.5179.30109.9E506E506-K508 PolarHBondContact O-N 3.26Å
509P39.2Very low33.9Very low107 Ų107150.5 Ų150.570%0.69580%0.795SS**PPolyproline II helixtrans-65.5147.2179.126.9-34.5000111.6S511P509-S511 PolarHBondContact O-N 3.46Å
510P45.1Very low34.1Very low132 Ų132148.6 Ų148.686%0.85780%0.796SS**PPolyproline II helixtrans-69.9130.8-176.828-34.4000111.8
511S32.1Very low34.4Very low112 Ų112149.3 Ų149.378%0.78380%0.796SS**PPolyproline II helixtrans-80.2137.2173.956.90000111.7P509P509-S511 PolarHBondContact O-N 3.46Å
512Y29.9Very low34.5Very low226 Ų226152.4 Ų152.489%0.88681%0.805SS**PPolyproline II helixtrans-50.2140.8172-158.2-99.2000112
513R32.7Very low34.3Very low232 Ų232151 Ų15188%0.87580%0.798SS**  trans-124.8115178.1-167.8172.9-170.1149.64.7110.6
514S31.2Very low34.6Very low75 Ų75154.5 Ų154.552%0.52480%0.804SS.*  trans-65.3150.9172.345.70000111.9D516S514-D516 PolarHBondContact OG-OD2 3.4Å
515L34Very low34.8Very low171 Ų171153.6 Ų153.690%0.89581%0.806SS**  trans-96.194.5171.2-71.8173.9000109.8
516D33.7Very low34.6Very low139 Ų139159.3 Ų159.374%0.74382%0.821SS**  trans-85.3115.7173.3-66.7-61.6000110.8S514S514-D516 PolarHBondContact OG-OD2 3.4Å
517V40.1Very low34.4Very low139 Ų139154.6 Ų154.684%0.84282%0.82SS**  trans-87121.6179177.40000110.2
518T31.9Very low34.2Very low127 Ų127150.6 Ų150.678%0.77981%0.814SS**  trans-133.7137.1167.837.50000112G520T518-G520 PolarHBondContact O-N 3.19Å
519P37.9Very low34.3Very low125 Ų125148.6 Ų148.681%0.81282%0.818SS**  trans-84.4114-171.631.3-34.4000113.4K521P519-K521 PolarHBondContact O-N 3.35Å
520G30.7Very low34Very low88 Ų88151.7 Ų151.791%0.90782%0.823SS**  trans-73.490.5178.200000114.3T518T518-G520 PolarHBondContact O-N 3.19Å
521K35.2Very low33.5Very low200 Ų200154.9 Ų154.987%0.8782%0.823SS**  trans-76.9121.6173.9179.3-179.4-178.51780111.4P519P519-K521 PolarHBondContact O-N 3.35Å
522N31.1Very low33.4Very low163 Ų163160.7 Ų160.787%0.87283%0.828SS**  trans-151172165.3-121.3-37.4000114.1
523S32.5Very low33.5Very low88 Ų88154.2 Ų154.262%0.61582%0.816SS**  trans-127.5166.9-150.669.50000117
524R33.3Very low33.5Very low238 Ų238151.8 Ų151.890%0.89881%0.814SS**  trans76.5146.4177.5-51169.2174.5178.4-3.7113.7
525K33.9Very low33.7Very low204 Ų204156.4 Ų156.489%0.88783%0.825SS**  cis-1211563.9-70.1177.11781750111.6
526K33.9Very low33.5Very low215 Ų215153.9 Ų153.994%0.93581%0.812SS**  trans-89.6126.6167.3-174.3178.6-178-179.60108.9
527G31.6Very low33.4Very low77 Ų77151.9 Ų151.979%0.79481%0.809SS**  trans-156114.3175.700000109.3
528S32.1Very low33.3Very low113 Ų113150.2 Ų150.279%0.7980%0.804SS**  trans-103.8119.1-169.5-176.30000111.1
529V37.6Very low33.7Very low150 Ų150152.9 Ų152.991%0.90981%0.807SS**  trans-137.1146.5157.6-1780000107.9
530E34.4Very low33.7Very low171 Ų171152.3 Ų152.380%0.79981%0.806SS**  trans-120.2139.8-161.7175.2-174.3-175.500111.3
531K33.6Very low33.9Very low200 Ų200151.6 Ų151.687%0.8780%0.798SS**  trans145.9157.6165.1-86.9156.7-173.9177.80109.6
532R31Very low34.1Very low234 Ų234153.6 Ų153.688%0.88380%0.8SS**  cis-163175.7-37.2-146.7-179.4-169.9-177.13.1105.7
533S31.3Very low34.2Very low90 Ų90150.4 Ų150.463%0.62979%0.791SS**  trans-72.9144.6-17851.10000114.9
534E33.1Very low34.3Very low181 Ų181152 Ų15285%0.84680%0.796SS**  trans168.2125.2137.8-90.3142.2-145.200106.4
535K34Very low34.4Very low172 Ų172146.8 Ų146.875%0.74879%0.791SS**  cis84.3133.238.5-157.7-170.6178.9-65.40113
536D30.4Very low34.6Very low117 Ų117148.4 Ų148.463%0.62681%0.807SS**  trans76.599.9169.8-60.9-27.7000120.2
537S32.8Very low34.6Very low98 Ų98145.1 Ų145.169%0.68580%0.8SS**  37.1124.9125.463.20000122.6
538S38Very low34.8Very low104 Ų104148.7 Ų148.773%0.72780%0.801SS**  42.7109.9124-48.40000120.5
539H39.3Very low35Very low183 Ų183150.7 Ų150.785%0.84780%0.801SS**  -175.3147.8106.4-115.1-99.4000115.2
540S37.8Very low34.8Very low113 Ų113150.7 Ų150.779%0.7980%0.795SS**  trans27.2122141.7170.30000121.4
541G34.1Very low34.8Very low72 Ų72149.4 Ų149.474%0.74280%0.795SS**  trans179.5115.6154.500000118.6
542R39.8Very low34.9Very low243 Ų243146.1 Ų146.192%0.91779%0.79SS**  trans-16150.5146.6-67.2164.984.4152.55.1116.3
543S34.3Very low35.2Very low96 Ų96139.8 Ų139.867%0.67178%0.783SS**  cis176.8-160.92.847.50000110.9
544V34.8Very low35.5Very low120 Ų120143.6 Ų143.673%0.72780%0.795SS**  trans93.4140.2155.2-152.10000117.8
545V35.6Very low35.7Very low129 Ų129140.5 Ų140.578%0.78279%0.791SS**  trans58.1138.7172.5-85.70000118.3
546I37.4Very low35.8Very low239 Ų239137.6 Ų137.6100%1.22680%0.795SS**  cis-110.604.5-61.1175000110.3

Retrieved 546 of 546 residues in 1636.6 ms (Link to these results)