A0A096N382_PAPAN Loading...

SLAM family member 6

AlphaFold DB , UniProt , Accession A0A096N382, Species PAPAN (Papio anubis, Olive baboon), Gene SLAMF6, Length 332 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38.1Very low42.4Very low222 Ų222161.4 Ų161.4100%1.09480%0.796SS**  090.60-68.3-67.1-170.800105.8
2L36.5Very low42Very low144 Ų144160.1 Ų160.175%0.75478%0.783SS**  53.2127.397.7-83.5101.9000111.4
3W37.9Very low41.5Very low217 Ų217156.8 Ų156.882%0.82278%0.784SS**  cis-175.5145.94.7-131.341.8000105.6
4L46.3Very low41.3Very low121 Ų121157.9 Ų157.963%0.63478%0.782SS**  trans14.8124.3146.8-72.2137000119.4
5F44.3Very low41Very low219 Ų219151.1 Ų151.196%0.96177%0.769SS**  -151.299.9129.6-105.7-75.7000110.9
6Q48.8Very low41.2Very low188 Ų188149.4 Ų149.488%0.87977%0.771SS**  trans-121.8115.9164.1-175.5154.8-0.400106.4
7S44.3Very low41.1Very low101 Ų101144.5 Ų144.571%0.70677%0.765SS**  trans-170.1101.1162.4-165.50000108.1
8L42.9Very low40.7Very low133 Ų133145.1 Ų145.170%0.69677%0.769SS**  89.483.695.8-141.684.5000111.7F10L8-F10 VanDerWaalsContact C-N 3.34Å; L8-F10 HydrophobicContact CD2-CD2 3.63Å; L8-F10 HydrophobicContact CD2-CE2 3.48Å; L8-F10 VanDerWaalsContact CD2-CE2 3.48Å; L8-F10 HydrophobicContact CG-CD2 4.36Å; L8-F10 PolarHBondContact O-N 2.74Å
9L41.4Very low40.6Very low169 Ų169146.3 Ų146.389%0.88578%0.775SS**  trans-67.693.7160.9-101.5144.4000107.8V11L9-V11 VanDerWaalsContact C-N 3.32Å; L9-V11 PolarHBondContact O-N 3.36Å
10F42Very low40.6Very low151 Ų151145.2 Ų145.266%0.66277%0.774SS**  trans-67.394.4163.9-111-87.3000107.8L8 F12L8-F10 VanDerWaalsContact C-N 3.34Å; L8-F10 HydrophobicContact CD2-CD2 3.63Å; L8-F10 HydrophobicContact CD2-CE2 3.48Å; L8-F10 VanDerWaalsContact CD2-CE2 3.48Å; L8-F10 HydrophobicContact CG-CD2 4.36Å; L8-F10 PolarHBondContact O-N 2.74Å; F10-F12 VanDerWaalsContact C-N 3.27Å; F10-F12 HydrophobicContact CB-CD2 4.38Å; F10-F12 HydrophobicContact CD1-CE2 4.35Å; F10-F12 PolarHBondContact O-N 2.89Å
11V43.9Very low40.4Very low110 Ų110143.7 Ų143.767%0.66778%0.775SS**  trans-68.794.3161.8177.80000106.1L9 C13L9-V11 VanDerWaalsContact C-N 3.32Å; L9-V11 PolarHBondContact O-N 3.36Å; V11-C13 VanDerWaalsContact C-N 3.29Å; V11-C13 PolarHBondContact O-N 3.05Å
12F37.4Very low40.5Very low146 Ų146140.7 Ų140.764%0.6476%0.758SS**  trans-66.194.2164-94-85.6000107.8F10 F14F10-F12 VanDerWaalsContact C-N 3.27Å; F10-F12 HydrophobicContact CB-CD2 4.38Å; F10-F12 HydrophobicContact CD1-CE2 4.35Å; F10-F12 PolarHBondContact O-N 2.89Å; F12-F14 HydrophobicContact CB-CD2 3.92Å; F12-F14 HydrophobicContact CB-CE2 4.26Å; F12-F14 AromaticContact CD1-CD2 3.7Å; F12-F14 HydrophobicContact CD1-CD2 3.7Å; F12-F14 AromaticContact CD1-CE2 3.24Å; F12-F14 HydrophobicContact CD1-CE2 3.24Å; F12-F14 HydrophobicContact CD1-CZ 4.06Å; F12-F14 AromaticContact CE1-CE2 3.75Å; F12-F14 HydrophobicContact CE1-CE2 3.75Å; F12-F14 HydrophobicContact CE1-CZ 4.23Å; F12-F14 HydrophobicContact CG-CD2 4.16Å; F12-F14 AromaticContact CG-CE2 3.99Å; F12-F14 HydrophobicContact CG-CE2 3.99Å; F12-F14 PolarHBondContact O-N 2.92Å
13C36.3Very low41Very low118 Ų118138.6 Ų138.680%0.79776%0.755SS**  trans-69.573.2158.3-70.50000108.6V11 G15V11-C13 VanDerWaalsContact C-N 3.29Å; V11-C13 PolarHBondContact O-N 3.05Å; C13-G15 PolarHBondContact O-N 3.05Å
14F37.6Very low41.7Very low171 Ų171133.9 Ų133.975%0.7576%0.755SS**  trans-70.989.7152.5-83.3-77.2000106.1F12F12-F14 HydrophobicContact CB-CD2 3.92Å; F12-F14 HydrophobicContact CB-CE2 4.26Å; F12-F14 AromaticContact CD1-CD2 3.7Å; F12-F14 HydrophobicContact CD1-CD2 3.7Å; F12-F14 AromaticContact CD1-CE2 3.24Å; F12-F14 HydrophobicContact CD1-CE2 3.24Å; F12-F14 HydrophobicContact CD1-CZ 4.06Å; F12-F14 AromaticContact CE1-CE2 3.75Å; F12-F14 HydrophobicContact CE1-CE2 3.75Å; F12-F14 HydrophobicContact CE1-CZ 4.23Å; F12-F14 HydrophobicContact CG-CD2 4.16Å; F12-F14 AromaticContact CG-CE2 3.99Å; F12-F14 HydrophobicContact CG-CE2 3.99Å; F12-F14 PolarHBondContact O-N 2.92Å
15G37.6Very low42.7Very low57 Ų57131 Ų13159%0.58875%0.745SS**  trans-53.9138162.300000108C13 G17C13-G15 PolarHBondContact O-N 3.05Å; G15-G17 VanDerWaalsContact C-N 3.33Å; G15-G17 PolarHBondContact O-N 3.4Å
16P44.3Very low44.5Very low123 Ų123126.7 Ų126.780%0.79974%0.737SS**  trans-63.4103.2171.426-29.7000106.5N18P16-N18 PolarHBondContact O-N 2.87Å; P16-N18 VanDerWaalsContact O-N 3.09Å
17G38.3Very low46.5Very low66 Ų66120.6 Ų120.668%0.6871%0.714SS**  trans-54.2118.7160.800000105.8G15 L19G15-G17 VanDerWaalsContact C-N 3.33Å; G15-G17 PolarHBondContact O-N 3.4Å; G17-L19 VanDerWaalsContact C-N 3.3Å; G17-L19 PolarHBondContact O-N 2.81Å
18N34.7Very low49Very low156 Ų156120.2 Ų120.283%0.83470%0.704SS**  trans-55.2102.8170.5-77.7-52.4000106.6P16 V20P16-N18 PolarHBondContact O-N 2.87Å; P16-N18 VanDerWaalsContact O-N 3.09Å; N18-V20 PolarHBondContact O-N 3.49Å
19L39.4Very low51.5Low168 Ų168117.6 Ų117.688%0.8869%0.689SS**  trans-57.199.9156.8-90.5149.8000104.5G17 S21G17-L19 VanDerWaalsContact C-N 3.3Å; G17-L19 PolarHBondContact O-N 2.81Å; L19-S21 PolarHBondContact O-N 3.49Å
20V40.8Very low54.1Low124 Ų124110.6 Ų110.675%0.75265%0.653SS**  trans-46.5114.6164.8171.20000105.1N18 Q22N18-V20 PolarHBondContact O-N 3.49Å; V20-Q22 PolarHBondContact O-N 2.92Å
21S35.3Very low56.7Low113 Ų113106.6 Ų106.679%0.7964%0.639SS**  trans-62.293.8173.6-175.10000106.2L19 S23L19-S21 PolarHBondContact O-N 3.49Å; S21-S23 PolarHBondContact O-N 3.31Å
22Q40.9Very low59.2Low160 Ų160101.6 Ų101.675%0.74861%0.609SS**  trans-6694.7169.5-115.4177.69.500105.4V20 S24V20-Q22 PolarHBondContact O-N 2.92Å; Q22-S24 VanDerWaalsContact C-N 3.26Å; Q22-S24 PolarHBondContact O-N 3.06Å
23S47.2Very low62Low99 Ų9995.8 Ų95.869%0.69259%0.586SS**  trans-55.499.4159.8171.30000106.4S21 S25S21-S23 PolarHBondContact O-N 3.31Å; S23-S25 PolarHBondContact O-N 2.95Å
24S52.1Low64.8Low118 Ų11892.9 Ų92.983%0.82556%0.562SS**  trans-75.669-179.854.30000109.3Q22Q22-S24 VanDerWaalsContact C-N 3.26Å; Q22-S24 PolarHBondContact O-N 3.06Å
25S67.9Low67.5Low60 Ų6086.6 Ų86.642%0.4255%0.545SS..PPolyproline II helixtrans-70.9131.6164.459.40000108.6S23S23-S25 PolarHBondContact O-N 2.95Å
26T82.1Confident70.4Confident130 Ų13089 Ų8980%0.79854%0.541SS*.PPolyproline II helixtrans-59.4127.4171.847.40000108.8
27P90.9Very high72.9Confident60 Ų6086 Ų8639%0.3952%0.523SS..PPolyproline II helixtrans-62.8139.8-178.425.2-33.1000111M29 S121P27-M29 PolarHBondContact O-N 2.85Å; P27-S121 CarbonylContact C-O 3.57Å; P27-S121 VanDerWaalsContact CA-O 3.3Å; P27-S121 WeakPolarHBondContact CA-O 3.49Å
28L95Very high75.7Confident92 Ų9283.4 Ų83.448%0.48249%0.494SS..EExtended strand (participates in β ladder)trans-70.1124.9176.9-179.765.3000110.1V30 S121 Y122 T123L28-V30 HydrophobicContact CD2-CG2 4.27Å; L28-V30 HydrophobicContact CG-CG2 4.18Å; L28-S121 PolarHBondContact N-O 2.86Å; L28-Y122 HydrophobicContact CB-CD1 3.93Å; L28-Y122 HydrophobicContact CB-CE1 4.37Å; L28-Y122 HydrophobicContact CD2-CD1 3.98Å; L28-Y122 HydrophobicContact CD2-CE1 3.93Å; L28-Y122 HydrophobicContact CG-CD1 4.37Å; L28-Y122 CarbonylContact O-C 3.58Å; L28-Y122 VanDerWaalsContact O-CA 3.22Å; L28-Y122 WeakPolarHBondContact O-CA 3.45Å; L28-T123 PolarHBondContact O-N 3.23Å
29M95.9Very high78.6Confident79 Ų7979.9 Ų79.939%0.38947%0.474SS..EExtended strand (participates in β ladder)trans-76.9125.7174.1-66.3-58.9-35.900110.2P27 T123 R125P27-M29 PolarHBondContact O-N 2.85Å; M29-T123 HydrophobicContact CE-CG2 3.65Å; M29-T123 HydrophobicContact SD-CG2 3.98Å; M29-R125 HydrophobicContact CE-CG 3.8Å
30V97Very high81.4Confident21 Ų2172 Ų7213%0.12743%0.433CS..EExtended strand (participates in β ladder)trans-127.2130.4177.2-173.60000108.9L28 V38 L40 Y122 T123 L124 R125L28-V30 HydrophobicContact CD2-CG2 4.27Å; L28-V30 HydrophobicContact CG-CG2 4.18Å; V30-V38 HydrophobicContact CG1-CG2 3.49Å; V30-V38 VanDerWaalsContact CG1-CG2 3.49Å; V30-L40 HydrophobicContact CB-CD2 4.02Å; V30-L40 HydrophobicContact CG1-CD2 3.99Å; V30-L40 HydrophobicContact CG2-CD2 3.92Å; V30-Y122 HydrophobicContact CG2-CD1 4.11Å; V30-T123 PolarHBondContact N-O 2.77Å; V30-L124 HydrophobicContact CB-CD1 4.42Å; V30-L124 HydrophobicContact CG1-CD1 4.36Å; V30-L124 WeakPolarHBondContact O-CA 3.26Å; V30-R125 PolarHBondContact O-N 2.85Å
31N96.6Very high83.9Confident68 Ų6868.6 Ų68.636%0.36441%0.413SS..EExtended strand (participates in β ladder)trans-104.7134.7177.5-56.7-37.8000109.8R125 F127 A200 V201N31-R125 CarbonylContact C-O 3.59Å; N31-R125 WeakPolarHBondContact CA-O 3.44Å; N31-F127 HydrophobicContact CB-CD2 4.11Å; N31-F127 HydrophobicContact CB-CE2 3.92Å; N31-F127 WeakPolarHBondContact OD1-CE2 3.22Å; N31-A200 HydrophobicContact CB-CB 4.46Å; N31-A200 WeakPolarHBondContact ND2-CB 3.41Å; N31-V201 HydrophobicContact CB-CG1 3.94Å
32G96.3Very high86.7Confident4 Ų463.7 Ų63.74%0.04138%0.378CS..EExtended strand (participates in β ladder)trans-123.5154.4175.700000111.4R125 I126 F127G32-R125 PolarHBondContact N-O 2.88Å; G32-I126 WeakPolarHBondContact O-CA 3.38Å; G32-F127 PolarHBondContact O-N 2.96Å
33V95.8Very high88.8Confident25 Ų2562.8 Ų62.815%0.15237%0.374CS..EExtended strand (participates in β ladder)trans-97.5132.5177-175.50000109.2G35 E36 F127 Q129 V201V33-G35 PolarHBondContact O-N 2.8Å; V33-E36 HydrophobicContact CB-CB 4.07Å; V33-E36 HydrophobicContact CB-CG 3.88Å; V33-E36 HydrophobicContact CG1-CG 3.97Å; V33-E36 PolarHBondContact O-N 3.3Å; V33-F127 WeakPolarHBondContact CA-O 3.48Å; V33-Q129 HydrophobicContact CG1-CB 4.34Å; V33-V201 HydrophobicContact CG2-CB 3.84Å; V33-V201 HydrophobicContact CG2-CG1 4.05Å; V33-V201 HydrophobicContact CG2-CG2 4.07Å
34L94.9Very high90.5Very high57 Ų5761.4 Ų61.430%0.29836%0.356SS..THydrogen-bonded Turntrans-54.2127.9177.4-173.873.2000111E36 L99 M101 I126 F127 R128L34-E36 VanDerWaalsContact C-N 3.27Å; L34-E36 PolarHBondContact O-N 2.93Å; L34-L99 WeakPolarHBondContact CD1-O 3.42Å; L34-M101 HydrophobicContact CD1-CG 3.97Å; L34-M101 HydrophobicContact CD1-SD 4.31Å; L34-I126 HydrophobicContact CB-CG2 4.24Å; L34-I126 HydrophobicContact CD1-CG2 4.16Å; L34-F127 PolarHBondContact N-O 2.83Å; L34-R128 HydrophobicContact CB-CG 4.48Å; L34-R128 HydrophobicContact CD2-CG 3.94Å
35G95.4Very high91.7Very high39 Ų3962.4 Ų62.440%0.40235%0.347SS..THydrogen-bonded Turntrans82.7-10.6-17800000115.2V33 N98 L99V33-G35 PolarHBondContact O-N 2.8Å; G35-N98 WeakPolarHBondContact O-CA 3.27Å; G35-L99 PolarHBondContact N-O 2.89Å
36E96.8Very high91.8Very high106 Ų10664.8 Ų64.850%0.49537%0.37SS..SBendtrans-94-159.6177.4-60-163.3170.400112.1V33 L34 S97 N98 L99V33-E36 HydrophobicContact CB-CB 4.07Å; V33-E36 HydrophobicContact CB-CG 3.88Å; V33-E36 HydrophobicContact CG1-CG 3.97Å; V33-E36 PolarHBondContact O-N 3.3Å; L34-E36 VanDerWaalsContact C-N 3.27Å; L34-E36 PolarHBondContact O-N 2.93Å; E36-S97 CarbonylContact O-C 3.5Å; E36-N98 WeakPolarHBondContact O-CA 3.45Å; E36-N98 PolarHBondContact O-N 2.92Å; E36-L99 WeakPolarHBondContact O-CG 3.49Å; E36-L99 PolarHBondContact O-N 2.99Å
37S96.8Very high91.3Very high60 Ų6062.6 Ų62.642%0.4237%0.373SS..  trans-125.3147.3177.268.40000112.2L96S37-L96 CarbonylContact C-O 3.5Å; S37-L96 WeakPolarHBondContact CA-O 3.39Å; S37-L96 VanDerWaalsContact CB-O 3.31Å; S37-L96 WeakPolarHBondContact CB-O 3.48Å
38V97.1Very high90.7Very high13 Ų1362.7 Ų62.78%0.07937%0.369CS..EExtended strand (participates in β ladder)trans-124.1152.8174.369.90000110.1V30 K95 L96 L99 L124V30-V38 HydrophobicContact CG1-CG2 3.49Å; V30-V38 VanDerWaalsContact CG1-CG2 3.49Å; V38-K95 WeakPolarHBondContact O-CA 3.42Å; V38-L96 HydrophobicContact CG1-CB 4.25Å; V38-L96 PolarHBondContact N-O 3.45Å; V38-L96 PolarHBondContact O-N 3.05Å; V38-L99 HydrophobicContact CB-CD1 4Å; V38-L99 HydrophobicContact CG1-CD1 4Å; V38-L99 HydrophobicContact CG1-CD2 3.95Å; V38-L99 HydrophobicContact CG1-CG 4.48Å; V38-L124 HydrophobicContact CB-CD1 4.48Å; V38-L124 HydrophobicContact CG1-CD1 3.98Å; V38-L124 HydrophobicContact CG1-CD2 4.09Å; V38-L124 HydrophobicContact CG2-CD1 4.13Å
39I97.3Very high90.3Very high81 Ų8165 Ų6542%0.41538%0.379SS..EExtended strand (participates in β ladder)trans-118.2124.5172.8-60.1175.2000108.3P41 T89 L94 K95I39-P41 WeakPolarHBondContact O-CD 3.33Å; I39-T89 HydrophobicContact CD1-CG2 4.5Å; I39-T89 HydrophobicContact CG2-CG2 4.4Å; I39-L94 CarbonylContact C-O 3.53Å; I39-L94 VanDerWaalsContact CA-O 3.26Å; I39-L94 WeakPolarHBondContact CA-O 3.38Å; I39-K95 HydrophobicContact CG1-CB 4.25Å; I39-K95 HydrophobicContact CG1-CD 4.48Å; I39-K95 HydrophobicContact CG1-CG 4.09Å
40L97.1Very high90Very high3 Ų362.4 Ų62.42%0.01637%0.366CS..EExtended strand (participates in β ladder)trans-92.9106.1168.6-52.4-175.9000107.7V30 L42 W55 S93 L94 Y107 Y122V30-L40 HydrophobicContact CB-CD2 4.02Å; V30-L40 HydrophobicContact CG1-CD2 3.99Å; V30-L40 HydrophobicContact CG2-CD2 3.92Å; L40-L42 PolarHBondContact O-N 3.45Å; L40-W55 HydrophobicContact CB-CH2 3.68Å; L40-W55 HydrophobicContact CB-CZ3 4.01Å; L40-W55 HydrophobicContact CD1-CH2 4.44Å; L40-W55 HydrophobicContact CD1-CZ3 3.91Å; L40-S93 WeakPolarHBondContact O-CA 3.26Å; L40-S93 VanDerWaalsContact O-CB 3.29Å; L40-S93 WeakPolarHBondContact O-CB 3.48Å; L40-L94 HydrophobicContact CB-CB 4.14Å; L40-L94 HydrophobicContact CD1-CD2 3.88Å; L40-L94 HydrophobicContact CG-CB 4.46Å; L40-L94 PolarHBondContact N-O 3.11Å; L40-L94 PolarHBondContact O-N 3.38Å; L40-Y107 VanDerWaalsContact CD1-CB 3.47Å; L40-Y107 HydrophobicContact CD1-CD1 3.89Å; L40-Y107 HydrophobicContact CD1-CD2 4.28Å; L40-Y107 HydrophobicContact CD1-CG 3.62Å; L40-Y122 HydrophobicContact CB-CD1 4.27Å; L40-Y122 HydrophobicContact CB-CE1 4.38Å; L40-Y122 HydrophobicContact CB-CG 4.38Å; L40-Y122 HydrophobicContact CD1-CD2 4.45Å; L40-Y122 HydrophobicContact CD1-CG 4.33Å; L40-Y122 HydrophobicContact CD2-CD1 4.41Å; L40-Y122 HydrophobicContact CD2-CG 4.46Å
41P94.7Very high89.8Confident52 Ų5266.6 Ų66.634%0.33838%0.384SS..  trans-71.5129-170.628.6-34.2000110.4I39 Y122I39-P41 WeakPolarHBondContact O-CD 3.33Å; P41-Y122 HydrophobicContact CG-CE1 4.38Å; P41-Y122 PolarHBondContact O-OH 2.87Å
42L92.6Very high89.7Confident10 Ų1064.1 Ų64.15%0.05237%0.372CS..  trans-97.3131.9172.6-165.564.4000110.3L40 F44 I53 W55 S93 A109 I111L40-L42 PolarHBondContact O-N 3.45Å; L42-F44 HydrophobicContact CD2-CD1 4.4Å; L42-F44 HydrophobicContact CD2-CE1 4.38Å; L42-F44 HydrophobicContact CG-CD1 4.31Å; L42-I53 HydrophobicContact CD2-CD1 3.85Å; L42-I53 HydrophobicContact CD2-CG2 3.89Å; L42-W55 HydrophobicContact CB-CZ2 4.28Å; L42-W55 HydrophobicContact CD1-CZ2 4.2Å; L42-S93 PolarHBondContact N-OG 2.87Å; L42-A109 HydrophobicContact CD1-CB 3.31Å; L42-I111 HydrophobicContact CD1-CD1 3.78Å; L42-I111 HydrophobicContact CD1-CG1 4.11Å; L42-I111 HydrophobicContact CD2-CD1 4.41Å; L42-I111 HydrophobicContact CD2-CG1 4.43Å; L42-I111 HydrophobicContact CG-CD1 4.11Å
43E86.6Confident89.7Confident142 Ų14263.9 Ų63.966%0.66437%0.37SS*.  trans-126.5124.5-179-66.2-176.8-178.200111.8K118E43-K118 PolarHBondContact O-NZ 3.27Å
44F82.6Confident89.7Confident69 Ų6963.8 Ų63.830%0.30337%0.37SS..  trans-143.8159.9175.153.6-93.5000110.1L42 I50 Y92 I111L42-F44 HydrophobicContact CD2-CD1 4.4Å; L42-F44 HydrophobicContact CD2-CE1 4.38Å; L42-F44 HydrophobicContact CG-CD1 4.31Å; F44-I50 HydrophobicContact CB-CD1 4.21Å; F44-I50 HydrophobicContact CD1-CD1 3.72Å; F44-I50 HydrophobicContact CD2-CD1 3.45Å; F44-I50 VanDerWaalsContact CD2-CD1 3.45Å; F44-I50 HydrophobicContact CD2-CG1 4.46Å; F44-I50 HydrophobicContact CE1-CD1 3.82Å; F44-I50 HydrophobicContact CE2-CD1 3.54Å; F44-I50 HydrophobicContact CG-CD1 3.53Å; F44-I50 HydrophobicContact CZ-CD1 3.73Å; F44-Y92 HydrophobicContact CE1-CD2 4.32Å; F44-Y92 HydrophobicContact CZ-CD2 4.22Å; F44-I111 HydrophobicContact CB-CD1 4.31Å
45H76.9Confident89.8Confident140 Ų14061.1 Ų61.165%0.64836%0.356SS*.  trans-72.8137.9-174.9-65.9-72.9000110.9G47 E48H45-G47 PolarHBondContact O-N 2.93Å; H45-E48 HydrophobicContact CB-CB 4.49Å; H45-E48 IonicContact CD2-OE2 3.73Å; H45-E48 WeakPolarHBondContact O-CB 3.32Å; H45-E48 PolarHBondContact O-N 3Å
46A69.4Low89.7Confident110 Ų11060.7 Ų60.791%0.90934%0.344SS*.THydrogen-bonded Turntrans-63.4124.2174.800000109.8
47G71.1Confident89.6Confident83 Ų8356.3 Ų56.386%0.85633%0.325SS*.THydrogen-bonded Turntrans96.6-2-177.600000115H45H45-G47 PolarHBondContact O-N 2.93Å
48E79.7Confident89.3Confident62 Ų6258.1 Ų58.129%0.2933%0.33SS..  trans-76.7122.9172.1-166.7171.4-168.400110.2H45 I50 T113H45-E48 HydrophobicContact CB-CB 4.49Å; H45-E48 IonicContact CD2-OE2 3.73Å; H45-E48 WeakPolarHBondContact O-CB 3.32Å; H45-E48 PolarHBondContact O-N 3Å; E48-I50 PolarHBondContact O-N 3.46Å; E48-T113 HydrophobicContact CG-CG2 3.84Å; E48-T113 WeakPolarHBondContact OE1-CG2 3.45Å
49M85.5Confident88.9Confident141 Ų14160.6 Ų60.670%0.69536%0.358SS*.  trans-76.7105.7177.3-70.1-143.9-63.700110.3
50I90.9Very high88.7Confident25 Ų2560.8 Ų60.813%0.12836%0.363CS..EExtended strand (participates in β ladder)trans-87.2119.8177.7-58.9173.9000109.2F44 E48 I53 P67 I111F44-I50 HydrophobicContact CB-CD1 4.21Å; F44-I50 HydrophobicContact CD1-CD1 3.72Å; F44-I50 HydrophobicContact CD2-CD1 3.45Å; F44-I50 VanDerWaalsContact CD2-CD1 3.45Å; F44-I50 HydrophobicContact CD2-CG1 4.46Å; F44-I50 HydrophobicContact CE1-CD1 3.82Å; F44-I50 HydrophobicContact CE2-CD1 3.54Å; F44-I50 HydrophobicContact CG-CD1 3.53Å; F44-I50 HydrophobicContact CZ-CD1 3.73Å; E48-I50 PolarHBondContact O-N 3.46Å; I50-I53 HydrophobicContact CD1-CD1 4.42Å; I50-I53 HydrophobicContact CG2-CD1 4.18Å; I50-I53 HydrophobicContact CG2-CG1 3.65Å; I50-P67 HydrophobicContact CB-CG 4.25Å; I50-P67 HydrophobicContact CG2-CG 3.93Å; I50-I111 HydrophobicContact CD1-CG2 4Å; I50-I111 HydrophobicContact CG1-CG2 3.99Å; I50-I111 HydrophobicContact CG2-CG2 3.88Å
51E92.6Very high88.4Confident108 Ų10862.5 Ų62.551%0.50538%0.376SS..EExtended strand (participates in β ladder)trans-76.5-45.2174.7-63.2-173.8159.900111T112 E114E51-T112 PolarHBondContact N-O 3.4Å; E51-E114 VanDerWaalsContact OE1-CA 3.32Å; E51-E114 WeakPolarHBondContact OE1-CA 3.35Å
52S94.4Very high88.4Confident16 Ų1660.1 Ų60.111%0.11236%0.36CS..EExtended strand (participates in β ladder)trans-157.2157.4178.561.70000113.3F64 I65 T112S52-F64 VanDerWaalsContact CB-CZ 3.42Å; S52-I65 WeakPolarHBondContact CA-O 3.31Å; S52-T112 PolarHBondContact N-O 2.8Å; S52-T112 PolarHBondContact O-N 3.08Å
53I95.4Very high88.5Confident0 Ų059.6 Ų59.60%036%0.357CS..EExtended strand (participates in β ladder)trans-126.7125.4173.5-54166.4000108.2L42 I50 I65 P67 Y92 Q110L42-I53 HydrophobicContact CD2-CD1 3.85Å; L42-I53 HydrophobicContact CD2-CG2 3.89Å; I50-I53 HydrophobicContact CD1-CD1 4.42Å; I50-I53 HydrophobicContact CG2-CD1 4.18Å; I50-I53 HydrophobicContact CG2-CG1 3.65Å; I53-I65 HydrophobicContact CB-CB 4.2Å; I53-I65 PolarHBondContact N-O 3.15Å; I53-I65 PolarHBondContact O-N 3.21Å; I53-P67 HydrophobicContact CD1-CG 4.16Å; I53-P67 HydrophobicContact CG1-CG 4.4Å; I53-Y92 HydrophobicContact CD1-CD2 3.66Å; I53-Y92 HydrophobicContact CD1-CG 3.72Å; I53-Q110 CarbonylContact C-O 3.52Å; I53-Q110 WeakPolarHBondContact CA-O 3.46Å
54T95.9Very high88.9Confident23 Ų2356.5 Ų56.514%0.14134%0.342CS..EExtended strand (participates in β ladder)trans-114.5119.9174.1-54.50000109.8L56 A63 F64 Q110T54-L56 HydrophobicContact CG2-CD2 4.03Å; T54-L56 HydrophobicContact CG2-CG 4.42Å; T54-A63 WeakPolarHBondContact CA-O 3.48Å; T54-F64 WeakPolarHBondContact OG1-CD2 3.42Å; T54-Q110 PolarHBondContact N-O 3.04Å; T54-Q110 PolarHBondContact O-N 2.94Å
55W96.4Very high89.5Confident0 Ų053.2 Ų53.20%033%0.327CS..EExtended strand (participates in β ladder)trans-89.9135170.4-8296.2000110.2L40 L42 L62 A63 F88 Y92 L94 S108 A109 Y122L40-W55 HydrophobicContact CB-CH2 3.68Å; L40-W55 HydrophobicContact CB-CZ3 4.01Å; L40-W55 HydrophobicContact CD1-CH2 4.44Å; L40-W55 HydrophobicContact CD1-CZ3 3.91Å; L42-W55 HydrophobicContact CB-CZ2 4.28Å; L42-W55 HydrophobicContact CD1-CZ2 4.2Å; W55-L62 HydrophobicContact CB-CB 4.18Å; W55-L62 WeakPolarHBondContact O-CB 3.5Å; W55-L62 PolarHBondContact O-N 2.99Å; W55-A63 PolarHBondContact N-O 3.36Å; W55-A63 PolarHBondContact O-N 3.32Å; W55-F88 AromaticContact CD1-CE1 3.58Å; W55-F88 HydrophobicContact CG-CE1 4.25Å; W55-F88 AromaticContact NE1-CE1 3.96Å; W55-Y92 PolarHBondContact NE1-O 3.33Å; W55-Y92 VanDerWaalsContact NE1-O 3.12Å; W55-L94 HydrophobicContact CB-CD1 4.49Å; W55-L94 HydrophobicContact CD2-CB 3.88Å; W55-L94 HydrophobicContact CD2-CD1 4.2Å; W55-L94 HydrophobicContact CD2-CD2 4.27Å; W55-L94 HydrophobicContact CD2-CG 4.36Å; W55-L94 HydrophobicContact CE3-CB 3.99Å; W55-L94 HydrophobicContact CE3-CD2 3.89Å; W55-L94 HydrophobicContact CE3-CG 4.41Å; W55-L94 HydrophobicContact CG-CD1 4.13Å; W55-L94 HydrophobicContact CH2-CB 3.78Å; W55-L94 HydrophobicContact CZ2-CB 3.66Å; W55-L94 HydrophobicContact CZ3-CB 3.95Å; W55-L94 HydrophobicContact CZ3-CD2 4.2Å; W55-S108 CarbonylContact C-O 3.58Å; W55-S108 WeakPolarHBondContact CA-O 3.46Å; W55-A109 HydrophobicContact CD2-CB 3.89Å; W55-A109 HydrophobicContact CE3-CB 3.9Å; W55-A109 HydrophobicContact CH2-CB 3.77Å; W55-A109 HydrophobicContact CZ2-CB 3.74Å; W55-A109 HydrophobicContact CZ3-CB 3.85Å; W55-Y122 HydrophobicContact CH2-CD2 4.4Å; W55-Y122 AromaticContact CH2-CE2 3.86Å; W55-Y122 HydrophobicContact CH2-CE2 3.86Å; W55-Y122 HydrophobicContact CZ3-CD2 4.11Å; W55-Y122 AromaticContact CZ3-CE2 3.96Å; W55-Y122 HydrophobicContact CZ3-CE2 3.96Å
56L94.7Very high90.3Very high30 Ų3050.4 Ų50.416%0.15731%0.314CS..EExtended strand (participates in β ladder)trans-123.2141.3-178.6-56.8166.8000109.4T54 T60 Y107 S108T54-L56 HydrophobicContact CG2-CD2 4.03Å; T54-L56 HydrophobicContact CG2-CG 4.42Å; L56-T60 CarbonylContact C-O 3.59Å; L56-T60 VanDerWaalsContact CA-O 3.26Å; L56-T60 WeakPolarHBondContact CA-O 3.29Å; L56-Y107 VanDerWaalsContact O-CA 3.31Å; L56-Y107 WeakPolarHBondContact O-CA 3.46Å; L56-S108 PolarHBondContact N-O 3Å; L56-S108 PolarHBondContact O-N 2.8Å
57C93.2Very high91.3Very high14 Ų1446.6 Ų46.610%0.09528%0.28CS..EExtended strand (participates in β ladder)trans-125121.2169.6175.20000108.1G59 T60 L62 S106 Y107C57-G59 PolarHBondContact O-N 3.35Å; C57-G59 VanDerWaalsContact O-N 3.11Å; C57-T60 PolarHBondContact N-O 3.09Å; C57-T60 PolarHBondContact O-N 2.89Å; C57-L62 HydrophobicContact CB-CD1 3.51Å; C57-L62 HydrophobicContact CB-CD2 3.54Å; C57-L62 HydrophobicContact CB-CG 3.52Å; C57-S106 CarbonylContact C-O 3.59Å; C57-S106 WeakPolarHBondContact CA-O 3.21Å; C57-Y107 HydrophobicContact CB-CD1 4.1Å; C57-Y107 HydrophobicContact CB-CE1 3.88Å
58N91.6Very high92Very high99 Ų9944.6 Ų44.653%0.52925%0.253SS..THydrogen-bonded Turntrans48.639-176.6-60.7-33000112.4T60 S106N58-T60 VanDerWaalsContact C-N 3.29Å; N58-T60 PolarHBondContact O-N 3.48Å; N58-S106 PolarHBondContact N-O 2.8Å; N58-S106 PolarHBondContact OD1-N 3.45Å; N58-S106 PolarHBondContact OD1-O 2.93Å
59G88.9Confident91.9Very high65 Ų6550.7 Ų50.767%0.6728%0.282SS*.THydrogen-bonded Turntrans80.6-5.3-178.300000115.8C57C57-G59 PolarHBondContact O-N 3.35Å; C57-G59 VanDerWaalsContact O-N 3.11Å
60T91.4Very high91.6Very high84 Ų8450.1 Ų50.152%0.51529%0.286SS..EExtended strand (participates in β ladder)trans-95.7138.7178-56.10000110.9L56 C57 N58 L62L56-T60 CarbonylContact C-O 3.59Å; L56-T60 VanDerWaalsContact CA-O 3.26Å; L56-T60 WeakPolarHBondContact CA-O 3.29Å; C57-T60 PolarHBondContact N-O 3.09Å; C57-T60 PolarHBondContact O-N 2.89Å; N58-T60 VanDerWaalsContact C-N 3.29Å; N58-T60 PolarHBondContact O-N 3.48Å; T60-L62 PolarHBondContact O-N 2.84Å
61S92.6Very high91.2Very high40 Ų4056.4 Ų56.428%0.2831%0.313SS..EExtended strand (participates in β ladder)trans-61125.2175.8-176.50000111.8T78S61-T78 WeakPolarHBondContact CB-OG1 3.4Å; S61-T78 PolarHBondContact O-OG1 2.91Å; S61-T78 PolarHBondContact OG-OG1 2.91Å
62L93.3Very high90.8Very high1 Ų156 Ų561%0.00532%0.321CS..EExtended strand (participates in β ladder)trans-91.3-49171-71178.3000111.6W55 C57 T60 V77 T78 H79 L94 Y107W55-L62 HydrophobicContact CB-CB 4.18Å; W55-L62 WeakPolarHBondContact O-CB 3.5Å; W55-L62 PolarHBondContact O-N 2.99Å; C57-L62 HydrophobicContact CB-CD1 3.51Å; C57-L62 HydrophobicContact CB-CD2 3.54Å; C57-L62 HydrophobicContact CB-CG 3.52Å; T60-L62 PolarHBondContact O-N 2.84Å; L62-V77 WeakPolarHBondContact O-CG1 3.26Å; L62-T78 PolarHBondContact O-N 2.92Å; L62-T78 PolarHBondContact O-OG1 2.99Å; L62-T78 VanDerWaalsContact O-OG1 3.09Å; L62-H79 HydrophobicContact CD2-CB 3.93Å; L62-H79 PolarHBondContact O-N 3.41Å; L62-L94 HydrophobicContact CD1-CD2 4.08Å; L62-Y107 HydrophobicContact CD1-CD1 3.81Å; L62-Y107 HydrophobicContact CD1-CE1 3.8Å
63A94.8Very high90.6Very high0 Ų057.4 Ų57.40%033%0.33CS..EExtended strand (participates in β ladder)trans-157.4150.3-179.800000111.4T54 W55 H76 V77 T78 L86 F88T54-A63 WeakPolarHBondContact CA-O 3.48Å; W55-A63 PolarHBondContact N-O 3.36Å; W55-A63 PolarHBondContact O-N 3.32Å; A63-H76 CarbonylContact C-O 3.57Å; A63-H76 VanDerWaalsContact CA-O 3.27Å; A63-H76 WeakPolarHBondContact CA-O 3.43Å; A63-V77 HydrophobicContact CB-CG2 4.47Å; A63-T78 PolarHBondContact N-OG1 2.8Å; A63-L86 HydrophobicContact CB-CD2 4.3Å; A63-F88 HydrophobicContact CB-CE1 4.37Å; A63-F88 HydrophobicContact CB-CE2 4.04Å; A63-F88 HydrophobicContact CB-CZ 3.44Å; A63-F88 VanDerWaalsContact CB-CZ 3.44Å
64F95.3Very high90.4Very high77 Ų7763 Ų6334%0.33836%0.355SS..EExtended strand (participates in β ladder)trans-113.5130.2168.7-178-94000109.1S52 T54 E66 H76S52-F64 VanDerWaalsContact CB-CZ 3.42Å; T54-F64 WeakPolarHBondContact OG1-CD2 3.42Å; F64-E66 HydrophobicContact CE1-CB 4.45Å; F64-H76 HydrophobicContact CB-CB 4.45Å; F64-H76 PolarHBondContact N-O 3.44Å; F64-H76 PolarHBondContact O-N 3.2Å
65I94.9Very high90.3Very high0 Ų065.1 Ų65.10%037%0.365CS..EExtended strand (participates in β ladder)trans-122.3127.6-177-53.7173.2000108S52 I53 P67 P73 K74 I75 F88 Y92S52-I65 WeakPolarHBondContact CA-O 3.31Å; I53-I65 HydrophobicContact CB-CB 4.2Å; I53-I65 PolarHBondContact N-O 3.15Å; I53-I65 PolarHBondContact O-N 3.21Å; I65-P67 WeakPolarHBondContact O-CD 3.13Å; I65-P73 HydrophobicContact CG2-CB 4.5Å; I65-K74 WeakPolarHBondContact CA-O 3.49Å; I65-I75 HydrophobicContact CG1-CG1 4.28Å; I65-I75 HydrophobicContact CG1-CG2 4.31Å; I65-I75 HydrophobicContact CG2-CG1 4.17Å; I65-F88 HydrophobicContact CD1-CD1 3.62Å; I65-F88 HydrophobicContact CD1-CE1 3.72Å; I65-F88 HydrophobicContact CD1-CG 4.06Å; I65-F88 HydrophobicContact CD1-CZ 4.26Å; I65-Y92 HydrophobicContact CG2-CD1 3.87Å; I65-Y92 HydrophobicContact CG2-CE1 4.12Å
66E93.8Very high90Very high81 Ų8170.1 Ų70.138%0.37939%0.388SS..EExtended strand (participates in β ladder)trans-106.3100.1169.1-169.7-174.7-16300107.3F64 K74F64-E66 HydrophobicContact CE1-CB 4.45Å; E66-K74 HydrophobicContact CB-CB 4.27Å; E66-K74 PolarHBondContact N-O 2.95Å; E66-K74 PolarHBondContact O-N 2.85Å; E66-K74 IonicContact OE1-NZ 3.9Å; E66-K74 WeakPolarHBondContact OE2-CD 3.36Å; E66-K74 IonicContact OE2-NZ 2.74Å; E66-K74 PolarHBondContact OE2-NZ 3.46Å
67P90.7Very high89.8Confident29 Ų2970.8 Ų70.819%0.18839%0.393CS..  trans-59.9149.6177.2-23.836.1000111.4I50 I53 I65 Y92I50-P67 HydrophobicContact CB-CG 4.25Å; I50-P67 HydrophobicContact CG2-CG 3.93Å; I53-P67 HydrophobicContact CD1-CG 4.16Å; I53-P67 HydrophobicContact CG1-CG 4.4Å; I65-P67 WeakPolarHBondContact O-CD 3.13Å; P67-Y92 HydrophobicContact CB-CE2 4.11Å; P67-Y92 HydrophobicContact CG-CE2 4.29Å
68S85.3Confident89.4Confident42 Ų4273.7 Ų73.729%0.29441%0.411SS..  trans-145.1132171.7-169.70000109.7K71S68-K71 VanDerWaalsContact O-O 3.11Å; S68-K71 PolarHBondContact OG-N 3.07Å
69E78.2Confident88.8Confident190 Ų19071.3 Ų71.389%0.88840%0.396SS*.SBendtrans-79.6-27.3176.8-62.5-169.717200112.5
70T79.6Confident88Confident128 Ų12873.5 Ų73.579%0.78540%0.398SS*.SBendtrans-102.3-17.9-172.855.50000113.4
71K83Confident87.1Confident157 Ų15777 Ų7768%0.68341%0.406SS*.SBendtrans-131.2169.3-178-63.9-179.8-176.9175.10109.9S68S68-K71 VanDerWaalsContact O-O 3.11Å; S68-K71 PolarHBondContact OG-N 3.07Å
72S84Confident86.1Confident99 Ų9975.7 Ų75.769%0.69240%0.396SS*.PPolyproline II helixtrans-58.9138166.855.80000110.1
73P89.9Confident85.3Confident46 Ų4684.2 Ų84.230%0.29943%0.428SS..PPolyproline II helixtrans-60.4143.817727.3-35.6000110.3I65 I75 Y92I65-P73 HydrophobicContact CG2-CB 4.5Å; P73-I75 HydrophobicContact CG-CD1 4.5Å; P73-Y92 HydrophobicContact CB-CE1 3.75Å; P73-Y92 HydrophobicContact CG-CE1 3.96Å
74K91.9Very high84.8Confident117 Ų11793.9 Ų93.951%0.50947%0.47SS..EExtended strand (participates in β ladder)trans-88.9121.1173.5-56.4-169.3-152.4127.70108.7I65 E66I65-K74 WeakPolarHBondContact CA-O 3.49Å; E66-K74 HydrophobicContact CB-CB 4.27Å; E66-K74 PolarHBondContact N-O 2.95Å; E66-K74 PolarHBondContact O-N 2.85Å; E66-K74 IonicContact OE1-NZ 3.9Å; E66-K74 WeakPolarHBondContact OE2-CD 3.36Å; E66-K74 IonicContact OE2-NZ 2.74Å; E66-K74 PolarHBondContact OE2-NZ 3.46Å
75I92Very high84.6Confident69 Ų6991.6 Ų91.635%0.35446%0.459SS..EExtended strand (participates in β ladder)trans-118.5117.9-177.8-57.6176.7000108.6I65 P73 V77 F88I65-I75 HydrophobicContact CG1-CG1 4.28Å; I65-I75 HydrophobicContact CG1-CG2 4.31Å; I65-I75 HydrophobicContact CG2-CG1 4.17Å; P73-I75 HydrophobicContact CG-CD1 4.5Å; I75-V77 HydrophobicContact CG2-CG2 4.26Å; I75-F88 HydrophobicContact CD1-CB 4.29Å; I75-F88 HydrophobicContact CD1-CD2 3.92Å; I75-F88 HydrophobicContact CD1-CG 4.34Å; I75-F88 HydrophobicContact CG2-CD2 3.81Å; I75-F88 HydrophobicContact CG2-CE2 3.61Å
76H91.3Very high84.5Confident104 Ų10492 Ų9248%0.48146%0.461SS..EExtended strand (participates in β ladder)trans-110.498.7177.2-63.6-76000109.3A63 F64 T78A63-H76 CarbonylContact C-O 3.57Å; A63-H76 VanDerWaalsContact CA-O 3.27Å; A63-H76 WeakPolarHBondContact CA-O 3.43Å; F64-H76 HydrophobicContact CB-CB 4.45Å; F64-H76 PolarHBondContact N-O 3.44Å; F64-H76 PolarHBondContact O-N 3.2Å; H76-T78 PolarHBondContact O-N 3.02Å
77V90.6Very high84.4Confident45 Ų4592.4 Ų92.427%0.27347%0.466SS..EExtended strand (participates in β ladder)trans-76.1118174.6-176.70000109.1L62 A63 I75 R83 L86L62-V77 WeakPolarHBondContact O-CG1 3.26Å; A63-V77 HydrophobicContact CB-CG2 4.47Å; I75-V77 HydrophobicContact CG2-CG2 4.26Å; V77-R83 HydrophobicContact CB-CG 4.4Å; V77-R83 HydrophobicContact CG1-CB 4.16Å; V77-R83 HydrophobicContact CG1-CG 4.22Å; V77-L86 HydrophobicContact CG1-CD2 3.99Å; V77-L86 HydrophobicContact CG2-CD2 4.32Å
78T84.8Confident84.6Confident75 Ų7592.9 Ų92.946%0.4647%0.465SS..  trans-93.8-23.3-175.741.60000112.3S61 L62 A63 H76 P80S61-T78 WeakPolarHBondContact CB-OG1 3.4Å; S61-T78 PolarHBondContact O-OG1 2.91Å; S61-T78 PolarHBondContact OG-OG1 2.91Å; L62-T78 PolarHBondContact O-N 2.92Å; L62-T78 PolarHBondContact O-OG1 2.99Å; L62-T78 VanDerWaalsContact O-OG1 3.09Å; A63-T78 PolarHBondContact N-OG1 2.8Å; H76-T78 PolarHBondContact O-N 3.02Å; T78-P80 WeakPolarHBondContact O-CD 3.35Å
79H78.3Confident85Confident49 Ų4992.9 Ų92.923%0.22746%0.464CS..  trans-91115.4-178.9-160.8-105.3000112.8L62 K81 Q82 R83L62-H79 HydrophobicContact CD2-CB 3.93Å; L62-H79 PolarHBondContact O-N 3.41Å; H79-K81 PolarHBondContact O-N 2.84Å; H79-Q82 PolarHBondContact CE1-OE1 3.12Å; H79-Q82 PolarHBondContact ND1-OE1 3.18Å; H79-R83 PolarHBondContact O-N 2.9Å
80P72.8Confident85.5Confident110 Ų11092.2 Ų92.271%0.71446%0.461SS*.THydrogen-bonded Turntrans-70.6-36-169.424.8-33000113.9T78T78-P80 WeakPolarHBondContact O-CD 3.35Å
81K72.9Confident85.9Confident157 Ų15788.6 Ų88.668%0.68344%0.44SS*.THydrogen-bonded Turntrans-69.4-40-177.5-71.8-172.8174.1-172.80112.8H79H79-K81 PolarHBondContact O-N 2.84Å
82Q71.5Confident86.4Confident13 Ų1382.6 Ų82.66%0.06141%0.414CS..THydrogen-bonded Turntrans-90.4-3.6-172.2-74.1157.4-21.100113.3H79 K84 R85 L86 D103H79-Q82 PolarHBondContact CE1-OE1 3.12Å; H79-Q82 PolarHBondContact ND1-OE1 3.18Å; Q82-K84 PolarHBondContact O-N 3.39Å; Q82-R85 PolarHBondContact O-N 3.02Å; Q82-L86 WeakPolarHBondContact O-CB 3.47Å; Q82-L86 PolarHBondContact O-N 2.74Å; Q82-D103 PolarHBondContact NE2-OD1 2.94Å; Q82-D103 VanDerWaalsContact NE2-OD1 3.09Å
83R75.9Confident87Confident181 Ų18178.2 Ų78.268%0.68338%0.383SS*.THydrogen-bonded Turntrans-53.1-33.7-174.6-174.1176.1178176.11.3115.1V77 H79V77-R83 HydrophobicContact CB-CG 4.4Å; V77-R83 HydrophobicContact CG1-CB 4.16Å; V77-R83 HydrophobicContact CG1-CG 4.22Å; H79-R83 PolarHBondContact O-N 2.9Å
84K83.4Confident87.2Confident202 Ų20276 Ų7688%0.87837%0.369SS*.THydrogen-bonded Turntrans-83.1-20.5179.9-65.3-176.1-179.8179.40113.7Q82Q82-K84 PolarHBondContact O-N 3.39Å
85R91.9Very high87.4Confident29 Ų2974.3 Ų74.311%0.10936%0.361CS..THydrogen-bonded Turntrans-103.9-16.5-172.5-67.9172.559.3-142.2-20.6112.2Q82 L96 S97 N98 E100 D103Q82-R85 PolarHBondContact O-N 3.02Å; R85-L96 HydrophobicContact CB-CD1 4.32Å; R85-S97 WeakPolarHBondContact CA-OG 3.4Å; R85-S97 WeakPolarHBondContact CB-O 3.44Å; R85-S97 PolarHBondContact NE-O 2.53Å; R85-S97 PolarHBondContact NH2-O 2.94Å; R85-S97 PolarHBondContact O-N 2.97Å; R85-S97 PolarHBondContact O-OG 3.3Å; R85-N98 PolarHBondContact NE-O 2.89Å; R85-N98 PolarHBondContact NH2-O 2.79Å; R85-E100 IonicContact CZ-OE1 3.41Å; R85-E100 IonicContact NE-OE1 3.8Å; R85-E100 IonicContact NH1-OE1 2.75Å; R85-E100 PolarHBondContact NH1-OE1 2.92Å; R85-E100 IonicContact NH1-OE2 3.98Å; R85-D103 IonicContact CZ-OD2 3.42Å; R85-D103 IonicContact NH1-OD1 2.8Å; R85-D103 IonicContact NH1-OD2 3.85Å; R85-D103 PolarHBondContact NH1-OD2 3.32Å; R85-D103 IonicContact NH2-OD1 3.84Å; R85-D103 IonicContact NH2-OD2 3.35Å; R85-D103 PolarHBondContact NH2-OD2 2.81Å
86L92.6Very high87.6Confident8 Ų871.2 Ų71.24%0.04235%0.345CS..EExtended strand (participates in β ladder)trans-86.9131.5179.3-154.469.5000111.4A63 V77 Q82 F88 L94 L96A63-L86 HydrophobicContact CB-CD2 4.3Å; V77-L86 HydrophobicContact CG1-CD2 3.99Å; V77-L86 HydrophobicContact CG2-CD2 4.32Å; Q82-L86 WeakPolarHBondContact O-CB 3.47Å; Q82-L86 PolarHBondContact O-N 2.74Å; L86-F88 HydrophobicContact CD2-CE2 4.02Å; L86-F88 HydrophobicContact CD2-CZ 3.71Å; L86-F88 HydrophobicContact CG-CE2 4.23Å; L86-F88 HydrophobicContact CG-CZ 4.04Å; L86-L94 HydrophobicContact CD1-CD1 3.43Å; L86-L94 VanDerWaalsContact CD1-CD1 3.43Å; L86-L94 HydrophobicContact CD1-CD2 4.4Å; L86-L94 HydrophobicContact CD1-CG 4.06Å; L86-L94 HydrophobicContact CD2-CD1 4.35Å; L86-L94 HydrophobicContact CG-CD1 3.96Å; L86-L96 HydrophobicContact CD1-CD1 3.93Å
87N92.9Very high87.8Confident90 Ų9067.8 Ų67.848%0.48133%0.333SS..EExtended strand (participates in β ladder)trans-141.1167.5170-80.8-53.9000109.9K95N87-K95 HydrophobicContact CB-CB 4.26Å; N87-K95 PolarHBondContact N-O 3.18Å; N87-K95 WeakPolarHBondContact O-CA 3Å; N87-K95 PolarHBondContact O-N 2.63Å; N87-K95 VanDerWaalsContact O-O 3.1Å
88F93.5Very high88.1Confident39 Ų3970 Ų7017%0.17134%0.343CS..EExtended strand (participates in β ladder)trans-127.6142.2177.9-60.3-83.3000110W55 A63 I65 I75 L86 S93 L94W55-F88 AromaticContact CD1-CE1 3.58Å; W55-F88 HydrophobicContact CG-CE1 4.25Å; W55-F88 AromaticContact NE1-CE1 3.96Å; A63-F88 HydrophobicContact CB-CE1 4.37Å; A63-F88 HydrophobicContact CB-CE2 4.04Å; A63-F88 HydrophobicContact CB-CZ 3.44Å; A63-F88 VanDerWaalsContact CB-CZ 3.44Å; I65-F88 HydrophobicContact CD1-CD1 3.62Å; I65-F88 HydrophobicContact CD1-CE1 3.72Å; I65-F88 HydrophobicContact CD1-CG 4.06Å; I65-F88 HydrophobicContact CD1-CZ 4.26Å; I75-F88 HydrophobicContact CD1-CB 4.29Å; I75-F88 HydrophobicContact CD1-CD2 3.92Å; I75-F88 HydrophobicContact CD1-CG 4.34Å; I75-F88 HydrophobicContact CG2-CD2 3.81Å; I75-F88 HydrophobicContact CG2-CE2 3.61Å; L86-F88 HydrophobicContact CD2-CE2 4.02Å; L86-F88 HydrophobicContact CD2-CZ 3.71Å; L86-F88 HydrophobicContact CG-CE2 4.23Å; L86-F88 HydrophobicContact CG-CZ 4.04Å; F88-S93 WeakPolarHBondContact CA-O 3.45Å; F88-L94 HydrophobicContact CD1-CD1 4.11Å; F88-L94 HydrophobicContact CE1-CD1 3.33Å; F88-L94 HydrophobicContact CZ-CD1 3.8Å
89T93.3Very high88.6Confident43 Ų4366.5 Ų66.526%0.26432%0.322SS..  trans-77.6173.2171.966.30000110.6I39 S91 Y92 S93I39-T89 HydrophobicContact CD1-CG2 4.5Å; I39-T89 HydrophobicContact CG2-CG2 4.4Å; T89-S91 PolarHBondContact O-N 3.09Å; T89-S91 PolarHBondContact OG1-N 2.96Å; T89-S91 PolarHBondContact OG1-OG 2.76Å; T89-Y92 PolarHBondContact O-N 2.83Å; T89-S93 PolarHBondContact N-O 2.84Å; T89-S93 WeakPolarHBondContact OG1-CB 3.31Å; T89-S93 PolarHBondContact OG1-N 2.84Å; T89-S93 PolarHBondContact OG1-OG 2.88Å
90Q88.5Confident89.3Confident176 Ų17667.7 Ų67.782%0.82233%0.327SS*.THydrogen-bonded Turntrans-59.2-27.4173.1-166.864.82300112.9Y92Q90-Y92 VanDerWaalsContact C-N 3.27Å
91S89.9Confident90.3Very high52 Ų5265.5 Ų65.536%0.36431%0.309SS..THydrogen-bonded Turntrans-88.411.6175.6630000113.4T89 S93T89-S91 PolarHBondContact O-N 3.09Å; T89-S91 PolarHBondContact OG1-N 2.96Å; T89-S91 PolarHBondContact OG1-OG 2.76Å; S91-S93 PolarHBondContact O-N 2.95Å; S91-S93 VanDerWaalsContact O-N 3.15Å; S91-S93 PolarHBondContact OG-OG 3.09Å
92Y92.8Very high91.2Very high31 Ų3163.8 Ų63.812%0.12230%0.303CS..  trans61.917.1-177.2-45.3-67.7000115F44 I53 W55 I65 P67 P73 T89 Q90F44-Y92 HydrophobicContact CE1-CD2 4.32Å; F44-Y92 HydrophobicContact CZ-CD2 4.22Å; I53-Y92 HydrophobicContact CD1-CD2 3.66Å; I53-Y92 HydrophobicContact CD1-CG 3.72Å; W55-Y92 PolarHBondContact NE1-O 3.33Å; W55-Y92 VanDerWaalsContact NE1-O 3.12Å; I65-Y92 HydrophobicContact CG2-CD1 3.87Å; I65-Y92 HydrophobicContact CG2-CE1 4.12Å; P67-Y92 HydrophobicContact CB-CE2 4.11Å; P67-Y92 HydrophobicContact CG-CE2 4.29Å; P73-Y92 HydrophobicContact CB-CE1 3.75Å; P73-Y92 HydrophobicContact CG-CE1 3.96Å; T89-Y92 PolarHBondContact O-N 2.83Å; Q90-Y92 VanDerWaalsContact C-N 3.27Å
93S95.4Very high92.3Very high6 Ų663.2 Ų63.24%0.04230%0.3CS..  trans-65.7140.1171-54.80000109.9L40 L42 F88 T89 S91 K95L40-S93 WeakPolarHBondContact O-CA 3.26Å; L40-S93 VanDerWaalsContact O-CB 3.29Å; L40-S93 WeakPolarHBondContact O-CB 3.48Å; L42-S93 PolarHBondContact N-OG 2.87Å; F88-S93 WeakPolarHBondContact CA-O 3.45Å; T89-S93 PolarHBondContact N-O 2.84Å; T89-S93 WeakPolarHBondContact OG1-CB 3.31Å; T89-S93 PolarHBondContact OG1-N 2.84Å; T89-S93 PolarHBondContact OG1-OG 2.88Å; S91-S93 PolarHBondContact O-N 2.95Å; S91-S93 VanDerWaalsContact O-N 3.15Å; S91-S93 PolarHBondContact OG-OG 3.09Å; S93-K95 PolarHBondContact O-N 3.27Å
94L95.9Very high93.2Very high1 Ų157.4 Ų57.41%0.00529%0.285CS..EExtended strand (participates in β ladder)trans-74122.6179.3-168.669.9000109.7I39 L40 W55 L62 L86 F88 Y107I39-L94 CarbonylContact C-O 3.53Å; I39-L94 VanDerWaalsContact CA-O 3.26Å; I39-L94 WeakPolarHBondContact CA-O 3.38Å; L40-L94 HydrophobicContact CB-CB 4.14Å; L40-L94 HydrophobicContact CD1-CD2 3.88Å; L40-L94 HydrophobicContact CG-CB 4.46Å; L40-L94 PolarHBondContact N-O 3.11Å; L40-L94 PolarHBondContact O-N 3.38Å; W55-L94 HydrophobicContact CB-CD1 4.49Å; W55-L94 HydrophobicContact CD2-CB 3.88Å; W55-L94 HydrophobicContact CD2-CD1 4.2Å; W55-L94 HydrophobicContact CD2-CD2 4.27Å; W55-L94 HydrophobicContact CD2-CG 4.36Å; W55-L94 HydrophobicContact CE3-CB 3.99Å; W55-L94 HydrophobicContact CE3-CD2 3.89Å; W55-L94 HydrophobicContact CE3-CG 4.41Å; W55-L94 HydrophobicContact CG-CD1 4.13Å; W55-L94 HydrophobicContact CH2-CB 3.78Å; W55-L94 HydrophobicContact CZ2-CB 3.66Å; W55-L94 HydrophobicContact CZ3-CB 3.95Å; W55-L94 HydrophobicContact CZ3-CD2 4.2Å; L62-L94 HydrophobicContact CD1-CD2 4.08Å; L86-L94 HydrophobicContact CD1-CD1 3.43Å; L86-L94 VanDerWaalsContact CD1-CD1 3.43Å; L86-L94 HydrophobicContact CD1-CD2 4.4Å; L86-L94 HydrophobicContact CD1-CG 4.06Å; L86-L94 HydrophobicContact CD2-CD1 4.35Å; L86-L94 HydrophobicContact CG-CD1 3.96Å; F88-L94 HydrophobicContact CD1-CD1 4.11Å; F88-L94 HydrophobicContact CE1-CD1 3.33Å; F88-L94 HydrophobicContact CZ-CD1 3.8Å; L94-Y107 HydrophobicContact CD2-CD1 3.81Å; L94-Y107 HydrophobicContact CD2-CE1 4.14Å
95K96Very high93.7Very high80 Ų8048.6 Ų48.635%0.34825%0.251SS..EExtended strand (participates in β ladder)trans-109.3114.4169-177.4175.7-179.8177.40109.3V38 I39 N87 S93V38-K95 WeakPolarHBondContact O-CA 3.42Å; I39-K95 HydrophobicContact CG1-CB 4.25Å; I39-K95 HydrophobicContact CG1-CD 4.48Å; I39-K95 HydrophobicContact CG1-CG 4.09Å; N87-K95 HydrophobicContact CB-CB 4.26Å; N87-K95 PolarHBondContact N-O 3.18Å; N87-K95 WeakPolarHBondContact O-CA 3Å; N87-K95 PolarHBondContact O-N 2.63Å; N87-K95 VanDerWaalsContact O-O 3.1Å; S93-K95 PolarHBondContact O-N 3.27Å
96L95.6Very high94Very high4 Ų449.9 Ų49.92%0.02127%0.265CS..EExtended strand (participates in β ladder)trans-106.9127.7175-17164000109S37 V38 R85 L86 L99 D103 L124S37-L96 CarbonylContact C-O 3.5Å; S37-L96 WeakPolarHBondContact CA-O 3.39Å; S37-L96 VanDerWaalsContact CB-O 3.31Å; S37-L96 WeakPolarHBondContact CB-O 3.48Å; V38-L96 HydrophobicContact CG1-CB 4.25Å; V38-L96 PolarHBondContact N-O 3.45Å; V38-L96 PolarHBondContact O-N 3.05Å; R85-L96 HydrophobicContact CB-CD1 4.32Å; L86-L96 HydrophobicContact CD1-CD1 3.93Å; L96-L99 HydrophobicContact CB-CD2 4.2Å; L96-L99 HydrophobicContact CD2-CD2 3.61Å; L96-L99 HydrophobicContact CG-CD2 3.83Å; L96-D103 HydrophobicContact CD2-CB 3.93Å; L96-L124 HydrophobicContact CD2-CD2 4.45Å
97S95.9Very high94.2Very high32 Ų3249.5 Ų49.522%0.22426%0.263CS..  trans-115.3159.4-175.459.70000112.8E36 R85 L99E36-S97 CarbonylContact O-C 3.5Å; R85-S97 WeakPolarHBondContact CA-OG 3.4Å; R85-S97 WeakPolarHBondContact CB-O 3.44Å; R85-S97 PolarHBondContact NE-O 2.53Å; R85-S97 PolarHBondContact NH2-O 2.94Å; R85-S97 PolarHBondContact O-N 2.97Å; R85-S97 PolarHBondContact O-OG 3.3Å; S97-L99 PolarHBondContact O-N 3.27Å
98N95.6Very high94.3Very high92 Ų9246 Ų4649%0.49225%0.246SC..SBendtrans49.655.1-176.1-17241.6000111.5G35 E36 R85G35-N98 WeakPolarHBondContact O-CA 3.27Å; E36-N98 WeakPolarHBondContact O-CA 3.45Å; E36-N98 PolarHBondContact O-N 2.92Å; R85-N98 PolarHBondContact NE-O 2.89Å; R85-N98 PolarHBondContact NH2-O 2.79Å
99L95.6Very high94.4Very high2 Ų244.2 Ų44.21%0.0124%0.238CC..  trans-53.5138.9-173-73.2171.4000112.8L34 G35 E36 V38 L96 S97 L124 I126L34-L99 WeakPolarHBondContact CD1-O 3.42Å; G35-L99 PolarHBondContact N-O 2.89Å; E36-L99 WeakPolarHBondContact O-CG 3.49Å; E36-L99 PolarHBondContact O-N 2.99Å; V38-L99 HydrophobicContact CB-CD1 4Å; V38-L99 HydrophobicContact CG1-CD1 4Å; V38-L99 HydrophobicContact CG1-CD2 3.95Å; V38-L99 HydrophobicContact CG1-CG 4.48Å; L96-L99 HydrophobicContact CB-CD2 4.2Å; L96-L99 HydrophobicContact CD2-CD2 3.61Å; L96-L99 HydrophobicContact CG-CD2 3.83Å; S97-L99 PolarHBondContact O-N 3.27Å; L99-L124 HydrophobicContact CD2-CD2 4.25Å; L99-I126 HydrophobicContact CB-CD1 4.26Å; L99-I126 HydrophobicContact CD2-CD1 4.12Å
100E94.3Very high94.5Very high73 Ų7345.3 Ų45.334%0.34124%0.24SC..  trans-119.2154.7175.8-66.4174.6-142.800109.7R85 E102 D103 I126R85-E100 IonicContact CZ-OE1 3.41Å; R85-E100 IonicContact NE-OE1 3.8Å; R85-E100 IonicContact NH1-OE1 2.75Å; R85-E100 PolarHBondContact NH1-OE1 2.92Å; R85-E100 IonicContact NH1-OE2 3.98Å; E100-E102 HydrophobicContact CB-CG 3.97Å; E100-E102 PolarHBondContact O-N 2.76Å; E100-E102 VanDerWaalsContact O-N 3.09Å; E100-D103 PolarHBondContact N-OD2 3.29Å; E100-D103 WeakPolarHBondContact O-CB 3.48Å; E100-D103 PolarHBondContact O-N 2.84Å; E100-I126 WeakPolarHBondContact O-CD1 3.47Å
101M92.9Very high94.8Very high65 Ų6537 Ų3732%0.3220%0.201SC..G310 helixtrans-57.1-29.9-179.3-75.4-56.9-166.400113.1L34 D103 T104 I126 R128L34-M101 HydrophobicContact CD1-CG 3.97Å; L34-M101 HydrophobicContact CD1-SD 4.31Å; M101-D103 PolarHBondContact O-N 2.86Å; M101-T104 WeakPolarHBondContact O-CB 3.15Å; M101-T104 PolarHBondContact O-N 2.83Å; M101-T104 PolarHBondContact O-OG1 3.28Å; M101-I126 HydrophobicContact SD-CB 4.18Å; M101-I126 HydrophobicContact SD-CG2 3.83Å; M101-R128 HydrophobicContact CE-CG 3.53Å
102E92.6Very high95Very high120 Ų12035.8 Ų35.856%0.56119%0.192SC*.G310 helixtrans-68.2-16.6177.363.5171.3-141.400114.5E100 T104E100-E102 HydrophobicContact CB-CG 3.97Å; E100-E102 PolarHBondContact O-N 2.76Å; E100-E102 VanDerWaalsContact O-N 3.09Å; E102-T104 PolarHBondContact O-N 3.43Å
103D93.1Very high94.9Very high1 Ų134.8 Ų34.81%0.00519%0.189CC..G310 helixtrans-79.7-4.4177.1-59-60.3000112.6Q82 R85 L96 E100 M101 G105 Y107 I126Q82-D103 PolarHBondContact NE2-OD1 2.94Å; Q82-D103 VanDerWaalsContact NE2-OD1 3.09Å; R85-D103 IonicContact CZ-OD2 3.42Å; R85-D103 IonicContact NH1-OD1 2.8Å; R85-D103 IonicContact NH1-OD2 3.85Å; R85-D103 PolarHBondContact NH1-OD2 3.32Å; R85-D103 IonicContact NH2-OD1 3.84Å; R85-D103 IonicContact NH2-OD2 3.35Å; R85-D103 PolarHBondContact NH2-OD2 2.81Å; L96-D103 HydrophobicContact CD2-CB 3.93Å; E100-D103 PolarHBondContact N-OD2 3.29Å; E100-D103 WeakPolarHBondContact O-CB 3.48Å; E100-D103 PolarHBondContact O-N 2.84Å; M101-D103 PolarHBondContact O-N 2.86Å; D103-G105 PolarHBondContact O-N 3.39Å; D103-Y107 VanDerWaalsContact O-CE2 3.26Å; D103-Y107 WeakPolarHBondContact O-CE2 3.41Å; D103-Y107 PolarHBondContact O-OH 2.96Å; D103-I126 HydrophobicContact CB-CD1 3.68Å
104T95Very high94.6Very high60 Ų6041.9 Ų41.937%0.36822%0.221SC..  trans-60.4129.9172.5-61.20000109.8M101 E102 L124 R125M101-T104 WeakPolarHBondContact O-CB 3.15Å; M101-T104 PolarHBondContact O-N 2.83Å; M101-T104 PolarHBondContact O-OG1 3.28Å; E102-T104 PolarHBondContact O-N 3.43Å; T104-L124 WeakPolarHBondContact CA-O 3.49Å; T104-L124 WeakPolarHBondContact CG2-O 3.36Å; T104-R125 HydrophobicContact CG2-CB 4.38Å
105G95.3Very high94.2Very high16 Ų1648 Ų4817%0.16526%0.259CS..EExtended strand (participates in β ladder)trans160.5-166.817900000114.9D103 L124D103-G105 PolarHBondContact O-N 3.39Å; G105-L124 PolarHBondContact N-O 2.91Å; G105-L124 PolarHBondContact O-N 3.25Å
106S96.6Very high93.9Very high56 Ų5646.7 Ų46.739%0.39226%0.26SS..EExtended strand (participates in β ladder)trans-89.3128.4178.1-178.30000109.9C57 N58 Y122C57-S106 CarbonylContact C-O 3.59Å; C57-S106 WeakPolarHBondContact CA-O 3.21Å; N58-S106 PolarHBondContact N-O 2.8Å; N58-S106 PolarHBondContact OD1-N 3.45Å; N58-S106 PolarHBondContact OD1-O 2.93Å; S106-Y122 WeakPolarHBondContact CA-O 3.49Å
107Y96.6Very high93.8Very high1 Ų150.8 Ų50.80%0.00428%0.284CS..EExtended strand (participates in β ladder)trans-119143.4173.2-70-103.4000108.6L40 L56 C57 L62 L94 D103 Y122 L124L40-Y107 VanDerWaalsContact CD1-CB 3.47Å; L40-Y107 HydrophobicContact CD1-CD1 3.89Å; L40-Y107 HydrophobicContact CD1-CD2 4.28Å; L40-Y107 HydrophobicContact CD1-CG 3.62Å; L56-Y107 VanDerWaalsContact O-CA 3.31Å; L56-Y107 WeakPolarHBondContact O-CA 3.46Å; C57-Y107 HydrophobicContact CB-CD1 4.1Å; C57-Y107 HydrophobicContact CB-CE1 3.88Å; L62-Y107 HydrophobicContact CD1-CD1 3.81Å; L62-Y107 HydrophobicContact CD1-CE1 3.8Å; L94-Y107 HydrophobicContact CD2-CD1 3.81Å; L94-Y107 HydrophobicContact CD2-CE1 4.14Å; D103-Y107 VanDerWaalsContact O-CE2 3.26Å; D103-Y107 WeakPolarHBondContact O-CE2 3.41Å; D103-Y107 PolarHBondContact O-OH 2.96Å; Y107-Y122 PolarHBondContact N-O 3.03Å; Y107-Y122 PolarHBondContact O-N 2.89Å; Y107-L124 HydrophobicContact CD2-CB 3.85Å; Y107-L124 HydrophobicContact CD2-CD2 4.5Å; Y107-L124 HydrophobicContact CE2-CB 3.71Å; Y107-L124 HydrophobicContact CE2-CD2 3.79Å; Y107-L124 HydrophobicContact CE2-CG 4.39Å
108S96.1Very high93.5Very high17 Ų1752.9 Ų52.912%0.11929%0.29CS..EExtended strand (participates in β ladder)trans-142.7147.5171.657.50000112.1W55 L56 S120W55-S108 CarbonylContact C-O 3.58Å; W55-S108 WeakPolarHBondContact CA-O 3.46Å; L56-S108 PolarHBondContact N-O 3Å; L56-S108 PolarHBondContact O-N 2.8Å; S108-S120 CarbonylContact C-O 3.54Å; S108-S120 WeakPolarHBondContact CA-O 3.4Å; S108-S120 WeakPolarHBondContact CB-O 3.5Å
109A95.9Very high93.4Very high0 Ų051.9 Ų51.90%028%0.284CS..EExtended strand (participates in β ladder)trans-111.3117.8172.300000108.4L42 W55 L119 S120L42-A109 HydrophobicContact CD1-CB 3.31Å; W55-A109 HydrophobicContact CD2-CB 3.89Å; W55-A109 HydrophobicContact CE3-CB 3.9Å; W55-A109 HydrophobicContact CH2-CB 3.77Å; W55-A109 HydrophobicContact CZ2-CB 3.74Å; W55-A109 HydrophobicContact CZ3-CB 3.85Å; A109-L119 WeakPolarHBondContact O-CA 3.35Å; A109-S120 PolarHBondContact N-O 2.89Å; A109-S120 PolarHBondContact O-N 3.01Å
110Q95.3Very high93.3Very high66 Ų6652.8 Ų52.831%0.30829%0.29SS..EExtended strand (participates in β ladder)trans-95.3114.9172.1-175.9178.8-21.600108.3I53 T54 V117 K118 L119I53-Q110 CarbonylContact C-O 3.52Å; I53-Q110 WeakPolarHBondContact CA-O 3.46Å; T54-Q110 PolarHBondContact N-O 3.04Å; T54-Q110 PolarHBondContact O-N 2.94Å; Q110-V117 HydrophobicContact CG-CG1 3.45Å; Q110-V117 VanDerWaalsContact CG-CG1 3.45Å; Q110-K118 WeakPolarHBondContact CA-O 3.45Å; Q110-L119 HydrophobicContact CB-CD1 4.24Å
111I94.1Very high93.4Very high2 Ų250.7 Ų50.71%0.0128%0.284CS..EExtended strand (participates in β ladder)trans-102.9117.2177.3-51.6168.7000106.6L42 F44 I50 V117 K118L42-I111 HydrophobicContact CD1-CD1 3.78Å; L42-I111 HydrophobicContact CD1-CG1 4.11Å; L42-I111 HydrophobicContact CD2-CD1 4.41Å; L42-I111 HydrophobicContact CD2-CG1 4.43Å; L42-I111 HydrophobicContact CG-CD1 4.11Å; F44-I111 HydrophobicContact CB-CD1 4.31Å; I50-I111 HydrophobicContact CD1-CG2 4Å; I50-I111 HydrophobicContact CG1-CG2 3.99Å; I50-I111 HydrophobicContact CG2-CG2 3.88Å; I111-V117 WeakPolarHBondContact O-CA 3.26Å; I111-K118 HydrophobicContact CB-CB 4.37Å; I111-K118 HydrophobicContact CD1-CD 4.41Å; I111-K118 PolarHBondContact N-O 2.96Å; I111-K118 PolarHBondContact O-N 2.79Å
112T94.4Very high93.6Very high27 Ų2748 Ų4817%0.16627%0.27CS..EExtended strand (participates in β ladder)trans-104.2126.4177.1-61.80000109.1E51 S52 V117E51-T112 PolarHBondContact N-O 3.4Å; S52-T112 PolarHBondContact N-O 2.8Å; S52-T112 PolarHBondContact O-N 3.08Å; T112-V117 HydrophobicContact CG2-CG2 4.32Å
113T91.4Very high93.8Very high10 Ų1044.2 Ų44.26%0.06126%0.255CS..EExtended strand (participates in β ladder)trans-115.5168.9169.967.40000108.7E48 T115 S116E48-T113 HydrophobicContact CG-CG2 3.84Å; E48-T113 WeakPolarHBondContact OE1-CG2 3.45Å; T113-T115 PolarHBondContact O-N 2.75Å; T113-S116 PolarHBondContact N-O 2.83Å; T113-S116 PolarHBondContact O-N 3.49Å; T113-S116 PolarHBondContact OG1-N 2.81Å; T113-S116 PolarHBondContact OG1-O 2.93Å; T113-S116 PolarHBondContact OG1-OG 2.74Å
114E88.3Confident94Very high154 Ų15444.2 Ų44.272%0.7226%0.255SS*.SBendtrans-52.9-31.3-178.7-174.5-179179.600113E51E51-E114 VanDerWaalsContact OE1-CA 3.32Å; E51-E114 WeakPolarHBondContact OE1-CA 3.35Å
115T88.3Confident94Very high131 Ų13147.2 Ų47.280%0.80426%0.26SS*.SBendtrans-113.7-13.2-171.857.30000114.2T113T113-T115 PolarHBondContact O-N 2.75Å
116S90.1Very high94Very high52 Ų5246.9 Ų46.936%0.36425%0.254SS..  trans-154.9163.1-171.675.60000113.8T113T113-S116 PolarHBondContact N-O 2.83Å; T113-S116 PolarHBondContact O-N 3.49Å; T113-S116 PolarHBondContact OG1-N 2.81Å; T113-S116 PolarHBondContact OG1-O 2.93Å; T113-S116 PolarHBondContact OG1-OG 2.74Å
117V91.8Very high93.9Very high89 Ų8944.8 Ų44.854%0.53924%0.238SC..EExtended strand (participates in β ladder)trans-123119.4170.4179.30000108.1Q110 I111 T112Q110-V117 HydrophobicContact CG-CG1 3.45Å; Q110-V117 VanDerWaalsContact CG-CG1 3.45Å; I111-V117 WeakPolarHBondContact O-CA 3.26Å; T112-V117 HydrophobicContact CG2-CG2 4.32Å
118K91.3Very high93.7Very high77 Ų7750.8 Ų50.834%0.33526%0.26SS..EExtended strand (participates in β ladder)trans-102.4137.1174.3-176.4-179.4177-170.10109.5E43 Q110 I111E43-K118 PolarHBondContact O-NZ 3.27Å; Q110-K118 WeakPolarHBondContact CA-O 3.45Å; I111-K118 HydrophobicContact CB-CB 4.37Å; I111-K118 HydrophobicContact CD1-CD 4.41Å; I111-K118 PolarHBondContact N-O 2.96Å; I111-K118 PolarHBondContact O-N 2.79Å
119L92.6Very high93.5Very high71 Ų7155.5 Ų55.537%0.37228%0.28SS..EExtended strand (participates in β ladder)trans-116.2122.6176.5-17170.6000109.6A109 Q110A109-L119 WeakPolarHBondContact O-CA 3.35Å; Q110-L119 HydrophobicContact CB-CD1 4.24Å
120S94Very high93.5Very high20 Ų2056.4 Ų56.414%0.1429%0.285CS..EExtended strand (participates in β ladder)trans-106123.8168.2-67.50000109.1S108 A109 Y122S108-S120 CarbonylContact C-O 3.54Å; S108-S120 WeakPolarHBondContact CA-O 3.4Å; S108-S120 WeakPolarHBondContact CB-O 3.5Å; A109-S120 PolarHBondContact N-O 2.89Å; A109-S120 PolarHBondContact O-N 3.01Å; S120-Y122 WeakPolarHBondContact CB-OH 3.32Å; S120-Y122 WeakPolarHBondContact O-CE2 3.46Å
121S95.8Very high93.3Very high29 Ų2963.5 Ų63.520%0.20331%0.309CS..EExtended strand (participates in β ladder)trans-113.3141.3-175.1-59.50000111.3P27 L28P27-S121 CarbonylContact C-O 3.57Å; P27-S121 VanDerWaalsContact CA-O 3.3Å; P27-S121 WeakPolarHBondContact CA-O 3.49Å; L28-S121 PolarHBondContact N-O 2.86Å
122Y97.1Very high93.3Very high10 Ų1065.9 Ų65.94%0.03932%0.324CS..EExtended strand (participates in β ladder)trans-135.6150.1-178.2-49.1-99.2000110L28 V30 L40 P41 W55 S106 Y107 S120L28-Y122 HydrophobicContact CB-CD1 3.93Å; L28-Y122 HydrophobicContact CB-CE1 4.37Å; L28-Y122 HydrophobicContact CD2-CD1 3.98Å; L28-Y122 HydrophobicContact CD2-CE1 3.93Å; L28-Y122 HydrophobicContact CG-CD1 4.37Å; L28-Y122 CarbonylContact O-C 3.58Å; L28-Y122 VanDerWaalsContact O-CA 3.22Å; L28-Y122 WeakPolarHBondContact O-CA 3.45Å; V30-Y122 HydrophobicContact CG2-CD1 4.11Å; L40-Y122 HydrophobicContact CB-CD1 4.27Å; L40-Y122 HydrophobicContact CB-CE1 4.38Å; L40-Y122 HydrophobicContact CB-CG 4.38Å; L40-Y122 HydrophobicContact CD1-CD2 4.45Å; L40-Y122 HydrophobicContact CD1-CG 4.33Å; L40-Y122 HydrophobicContact CD2-CD1 4.41Å; L40-Y122 HydrophobicContact CD2-CG 4.46Å; P41-Y122 HydrophobicContact CG-CE1 4.38Å; P41-Y122 PolarHBondContact O-OH 2.87Å; W55-Y122 HydrophobicContact CH2-CD2 4.4Å; W55-Y122 AromaticContact CH2-CE2 3.86Å; W55-Y122 HydrophobicContact CH2-CE2 3.86Å; W55-Y122 HydrophobicContact CZ3-CD2 4.11Å; W55-Y122 AromaticContact CZ3-CE2 3.96Å; W55-Y122 HydrophobicContact CZ3-CE2 3.96Å; S106-Y122 WeakPolarHBondContact CA-O 3.49Å; Y107-Y122 PolarHBondContact N-O 3.03Å; Y107-Y122 PolarHBondContact O-N 2.89Å; S120-Y122 WeakPolarHBondContact CB-OH 3.32Å; S120-Y122 WeakPolarHBondContact O-CE2 3.46Å
123T97Very high93.4Very high39 Ų3965.7 Ų65.724%0.23932%0.322CS..EExtended strand (participates in β ladder)trans-119.7113.6167.8-580000108.7L28 M29 V30 R125L28-T123 PolarHBondContact O-N 3.23Å; M29-T123 HydrophobicContact CE-CG2 3.65Å; M29-T123 HydrophobicContact SD-CG2 3.98Å; V30-T123 PolarHBondContact N-O 2.77Å; T123-R125 HydrophobicContact CG2-CG 4.49Å
124L97.1Very high93.5Very high1 Ų169.9 Ų69.91%0.00534%0.34CS..EExtended strand (participates in β ladder)trans-89.3110.3-178.8-178.558.4000110.8V30 V38 L96 L99 T104 G105 Y107 I126V30-L124 HydrophobicContact CB-CD1 4.42Å; V30-L124 HydrophobicContact CG1-CD1 4.36Å; V30-L124 WeakPolarHBondContact O-CA 3.26Å; V38-L124 HydrophobicContact CB-CD1 4.48Å; V38-L124 HydrophobicContact CG1-CD1 3.98Å; V38-L124 HydrophobicContact CG1-CD2 4.09Å; V38-L124 HydrophobicContact CG2-CD1 4.13Å; L96-L124 HydrophobicContact CD2-CD2 4.45Å; L99-L124 HydrophobicContact CD2-CD2 4.25Å; T104-L124 WeakPolarHBondContact CA-O 3.49Å; T104-L124 WeakPolarHBondContact CG2-O 3.36Å; G105-L124 PolarHBondContact N-O 2.91Å; G105-L124 PolarHBondContact O-N 3.25Å; Y107-L124 HydrophobicContact CD2-CB 3.85Å; Y107-L124 HydrophobicContact CD2-CD2 4.5Å; Y107-L124 HydrophobicContact CE2-CB 3.71Å; Y107-L124 HydrophobicContact CE2-CD2 3.79Å; Y107-L124 HydrophobicContact CE2-CG 4.39Å; L124-I126 HydrophobicContact CD2-CD1 4.31Å; L124-I126 HydrophobicContact CD2-CG1 4.49Å; L124-I126 HydrophobicContact CG-CD1 4.47Å; L124-I126 HydrophobicContact CG-CG1 4.16Å
125R95.9Very high93.9Very high124 Ų12463.7 Ų63.747%0.46831%0.313SS..EExtended strand (participates in β ladder)trans-74.6119.6164.646121.7171.8152.47.1113.3M29 V30 N31 G32 T104 T123 F127M29-R125 HydrophobicContact CE-CG 3.8Å; V30-R125 PolarHBondContact O-N 2.85Å; N31-R125 CarbonylContact C-O 3.59Å; N31-R125 WeakPolarHBondContact CA-O 3.44Å; G32-R125 PolarHBondContact N-O 2.88Å; T104-R125 HydrophobicContact CG2-CB 4.38Å; T123-R125 HydrophobicContact CG2-CG 4.49Å; R125-F127 HydrophobicContact CB-CE2 4.01Å; R125-F127 HydrophobicContact CB-CZ 4.26Å
126I95.1Very high94.2Very high8 Ų860.5 Ų60.54%0.04129%0.291CS..EExtended strand (participates in β ladder)trans-113.1127.9170.4-60.4174.2000110.3G32 L34 L99 E100 M101 D103 L124G32-I126 WeakPolarHBondContact O-CA 3.38Å; L34-I126 HydrophobicContact CB-CG2 4.24Å; L34-I126 HydrophobicContact CD1-CG2 4.16Å; L99-I126 HydrophobicContact CB-CD1 4.26Å; L99-I126 HydrophobicContact CD2-CD1 4.12Å; E100-I126 WeakPolarHBondContact O-CD1 3.47Å; M101-I126 HydrophobicContact SD-CB 4.18Å; M101-I126 HydrophobicContact SD-CG2 3.83Å; D103-I126 HydrophobicContact CB-CD1 3.68Å; L124-I126 HydrophobicContact CD2-CD1 4.31Å; L124-I126 HydrophobicContact CD2-CG1 4.49Å; L124-I126 HydrophobicContact CG-CD1 4.47Å; L124-I126 HydrophobicContact CG-CG1 4.16Å
127F94.3Very high94.4Very high13 Ų1361.6 Ų61.66%0.05729%0.293CS..EExtended strand (participates in β ladder)trans-124.1148.3-176.3-61.2-89.9000110.5N31 G32 V33 L34 R125 N161 A200 V201N31-F127 HydrophobicContact CB-CD2 4.11Å; N31-F127 HydrophobicContact CB-CE2 3.92Å; N31-F127 WeakPolarHBondContact OD1-CE2 3.22Å; G32-F127 PolarHBondContact O-N 2.96Å; V33-F127 WeakPolarHBondContact CA-O 3.48Å; L34-F127 PolarHBondContact N-O 2.83Å; R125-F127 HydrophobicContact CB-CE2 4.01Å; R125-F127 HydrophobicContact CB-CZ 4.26Å; F127-N161 HydrophobicContact CD1-CB 4.23Å; F127-N161 WeakPolarHBondContact CD1-ND2 3.43Å; F127-N161 HydrophobicContact CE1-CB 3.84Å; F127-A200 HydrophobicContact CD1-CB 4.39Å; F127-A200 HydrophobicContact CD2-CB 4.09Å; F127-A200 HydrophobicContact CE1-CB 4.03Å; F127-A200 HydrophobicContact CE2-CB 3.71Å; F127-A200 HydrophobicContact CG-CB 4.42Å; F127-A200 HydrophobicContact CZ-CB 3.67Å; F127-V201 HydrophobicContact CB-CB 4.46Å; F127-V201 HydrophobicContact CB-CG1 4.05Å; F127-V201 HydrophobicContact CB-CG2 3.55Å; F127-V201 HydrophobicContact CD2-CG1 3.91Å; F127-V201 HydrophobicContact CG-CG1 4.27Å; F127-V201 HydrophobicContact CG-CG2 4.41Å
128R92.6Very high94.4Very high127 Ų12763 Ų6348%0.47929%0.29SS..PPolyproline II helixtrans-82.3140.6166.4-60.7-176.8179.5-126.8-2.7108.7L34 M101 L130 N199L34-R128 HydrophobicContact CB-CG 4.48Å; L34-R128 HydrophobicContact CD2-CG 3.94Å; M101-R128 HydrophobicContact CE-CG 3.53Å; R128-L130 PolarHBondContact O-N 2.8Å; R128-N199 PolarHBondContact O-ND2 2.87Å
129Q92.2Very high94.2Very high115 Ų11560.6 Ų60.654%0.53728%0.282SS..PPolyproline II helixtrans-69.1132.8169.1-167.8168.827.300109.3V33V33-Q129 HydrophobicContact CG1-CB 4.34Å
130L94.1Very high94Very high19 Ų1962.8 Ų62.810%0.09929%0.291CS..PPolyproline II helixtrans-65.6135.1175.2-53.8178.5000109.1R128 V155 V162 A197 S202 L204R128-L130 PolarHBondContact O-N 2.8Å; L130-V155 HydrophobicContact CB-CG1 4.24Å; L130-V155 HydrophobicContact CD2-CG1 3.97Å; L130-V162 HydrophobicContact CD1-CG1 4.36Å; L130-V162 HydrophobicContact CD2-CG1 4.41Å; L130-V162 HydrophobicContact CD2-CG2 3.7Å; L130-A197 HydrophobicContact CD1-CB 4.38Å; L130-A197 WeakPolarHBondContact CD1-O 2.94Å; L130-S202 WeakPolarHBondContact CG-OG 3.32Å; L130-S202 PolarHBondContact N-OG 3.06Å; L130-S202 VanDerWaalsContact N-OG 3.08Å; L130-L204 HydrophobicContact CB-CD1 3.62Å; L130-L204 HydrophobicContact CB-CG 3.87Å
131R91.3Very high93.6Very high215 Ų21564.5 Ų64.581%0.81130%0.298SS*.  trans-112.8-59.2-175.4-63.7-176.2178.1-170-1.5113L204R131-L204 WeakPolarHBondContact O-CD1 3.3Å
132T94.3Very high92.9Very high53 Ų5367.5 Ų67.533%0.32531%0.308SS..  trans-121.7115.6-171.9-43.90000109.7Q134 V155 E156T132-Q134 HydrophobicContact CG2-CG 4.25Å; T132-V155 WeakPolarHBondContact O-CA 3.42Å; T132-V155 WeakPolarHBondContact O-CG1 3.29Å; T132-E156 VanDerWaalsContact CB-OE2 3.26Å; T132-E156 WeakPolarHBondContact CB-OE2 3.47Å; T132-E156 PolarHBondContact O-N 3.09Å; T132-E156 PolarHBondContact OG1-OE2 2.91Å
133I96Very high92Very high22 Ų2276.9 Ų76.911%0.11335%0.352CS..EExtended strand (participates in β ladder)trans-97.9137.8169.9-174.9167.9000109.2V155 C195 A197 L204 F206I133-V155 HydrophobicContact CG1-CG2 4.49Å; I133-C195 HydrophobicContact CD1-CB 4.44Å; I133-A197 HydrophobicContact CD1-CB 4.03Å; I133-L204 HydrophobicContact CB-CB 4.07Å; I133-L204 HydrophobicContact CB-CD1 4.13Å; I133-L204 HydrophobicContact CD1-CB 4.31Å; I133-L204 HydrophobicContact CG2-CB 4Å; I133-L204 HydrophobicContact CG2-CD1 4.31Å; I133-F206 HydrophobicContact CD1-CB 4.04Å; I133-F206 HydrophobicContact CG1-CB 4.1Å; I133-F206 HydrophobicContact CG2-CB 3.88Å; I133-F206 HydrophobicContact CG2-CD2 4.31Å
134Q95.3Very high91.2Very high98 Ų9879.4 Ų79.446%0.45836%0.364SS..EExtended strand (participates in β ladder)trans-131.2140.4179.6-63.6-178.9-2.500109.7T132 C153 S154T132-Q134 HydrophobicContact CG2-CG 4.25Å; Q134-C153 WeakPolarHBondContact O-CA 3.38Å; Q134-S154 PolarHBondContact N-O 2.91Å; Q134-S154 PolarHBondContact O-N 2.85Å
135V96.3Very high90.3Very high24 Ų2486.2 Ų86.215%0.14539%0.389CS..EExtended strand (participates in β ladder)trans-119.4115.8173.1170.30000108.4L151 T152 C153 W166 C195 F206 V208V135-L151 HydrophobicContact CG1-CB 4.3Å; V135-L151 HydrophobicContact CG1-CD2 4.1Å; V135-T152 CarbonylContact C-O 3.12Å; V135-T152 WeakPolarHBondContact CA-O 3.41Å; V135-C153 HydrophobicContact CG2-CB 4.49Å; V135-W166 HydrophobicContact CB-CH2 4.49Å; V135-W166 HydrophobicContact CG1-CH2 3.74Å; V135-W166 HydrophobicContact CG1-CZ2 4.49Å; V135-W166 HydrophobicContact CG2-CH2 3.88Å; V135-W166 HydrophobicContact CG2-CZ2 4.46Å; V135-C195 HydrophobicContact CG2-CB 4.08Å; V135-F206 HydrophobicContact CB-CD1 3.79Å; V135-F206 HydrophobicContact CB-CE1 4.1Å; V135-F206 HydrophobicContact CG2-CB 4.07Å; V135-F206 HydrophobicContact CG2-CD1 3.55Å; V135-F206 HydrophobicContact CG2-CE1 4.36Å; V135-F206 HydrophobicContact CG2-CG 4.11Å; V135-V208 HydrophobicContact CG1-CG1 4.23Å; V135-V208 HydrophobicContact CG1-CG2 4.34Å
136N94.9Very high89.9Confident65 Ų6581.8 Ų81.835%0.34838%0.376SS..EExtended strand (participates in β ladder)trans-89.3136.4173.4-68.4-32.5000109.9Y138 L151 T152N136-Y138 HydrophobicContact CB-CE2 3.71Å; N136-L151 WeakPolarHBondContact O-CA 3.48Å; N136-T152 PolarHBondContact N-O 2.81Å; N136-T152 PolarHBondContact O-N 3.23Å
137N93.6Very high89.7Confident75 Ų7581.5 Ų81.540%0.40138%0.375SS..EExtended strand (participates in β ladder)trans-110.9123.4-177.2176.422.1000111S139 L151 L213N137-S139 WeakPolarHBondContact OD1-CB 3.48Å; N137-S139 PolarHBondContact OD1-N 2.88Å; N137-S139 PolarHBondContact OD1-OG 3.42Å; N137-L151 HydrophobicContact CB-CD2 4.04Å; N137-L213 HydrophobicContact CB-CD2 4.01Å; N137-L213 VanDerWaalsContact CG-CD2 3.47Å; N137-L213 WeakPolarHBondContact ND2-CD2 3.44Å
138Y91.4Very high89.6Confident119 Ų11984.4 Ų84.447%0.46739%0.389SS..  trans-122.124.3175.4-51-79.3000112.1N136 H150N136-Y138 HydrophobicContact CB-CE2 3.71Å; Y138-H150 AromaticContact CD2-ND1 3.48Å; Y138-H150 WeakPolarHBondContact CD2-ND1 3.37Å; Y138-H150 AromaticContact CG-ND1 3.84Å; Y138-H150 PolarHBondContact N-O 2.87Å
139S88.3Confident89.6Confident26 Ų2678.4 Ų78.418%0.18237%0.366CS..  trans-63145.7-176.6-54.30000112.5N137 E148 I149N137-S139 WeakPolarHBondContact OD1-CB 3.48Å; N137-S139 PolarHBondContact OD1-N 2.88Å; N137-S139 PolarHBondContact OD1-OG 3.42Å; S139-E148 CarbonylContact C-O 3.58Å; S139-E148 WeakPolarHBondContact CA-O 3.41Å; S139-E148 WeakPolarHBondContact CB-O 3.4Å; S139-I149 VanDerWaalsContact OG-CA 3.31Å; S139-I149 WeakPolarHBondContact OG-CA 3.22Å
140Q87.1Confident89.8Confident117 Ų11775.9 Ų75.955%0.54735%0.354SS..EExtended strand (participates in β ladder)trans-127.5133.3-179.7-60.7-179.530.800110.1C147 E148Q140-C147 CarbonylContact O-C 3.6Å; Q140-C147 WeakPolarHBondContact O-CA 3.45Å; Q140-E148 PolarHBondContact N-O 2.93Å; Q140-E148 PolarHBondContact O-N 2.77Å
141L85.1Confident89.9Confident55 Ų5575 Ų7529%0.28835%0.349SS..EExtended strand (participates in β ladder)trans-96.8119.9173.9-174.568.2000109.8C147 V217L141-C147 HydrophobicContact CD1-CB 3.96Å; L141-V217 HydrophobicContact CB-CB 4.16Å; L141-V217 HydrophobicContact CB-CG1 4.23Å; L141-V217 HydrophobicContact CB-CG2 4.12Å; L141-V217 HydrophobicContact CD2-CB 3.88Å; L141-V217 HydrophobicContact CD2-CG1 4.15Å
142F83Confident90.1Very high93 Ų9366.2 Ų66.241%0.40832%0.319SS..  trans-85.1159.3176.8-69.6-74000112.4N144 R145 T146 E148F142-N144 WeakPolarHBondContact CB-OD1 3.35Å; F142-N144 PolarHBondContact O-N 3.18Å; F142-R145 WeakPolarHBondContact O-CA 3.42Å; F142-R145 PolarHBondContact O-N 3.01Å; F142-T146 WeakPolarHBondContact CB-O 3.41Å; F142-T146 PolarHBondContact N-O 3.41Å; F142-E148 HydrophobicContact CD2-CB 4.22Å; F142-E148 HydrophobicContact CE2-CB 3.55Å; F142-E148 HydrophobicContact CE2-CG 4.45Å; F142-E148 WeakPolarHBondContact CE2-OE2 3.05Å; F142-E148 WeakPolarHBondContact CZ-OE2 3.5Å
143Q76.4Confident90.2Very high206 Ų20663.8 Ų63.896%0.96331%0.305SS*.THydrogen-bonded Turntrans-59.1-29.8179.1-68.3-179.3-3.700113.3R145Q143-R145 PolarHBondContact O-N 2.84Å; Q143-R145 VanDerWaalsContact O-N 3.13Å
144N80.3Confident90.2Very high92 Ų9264.6 Ų64.649%0.49231%0.312SS..THydrogen-bonded Turntrans-724.3175.468.7-7.8000113.2F142 T146 R186F142-N144 WeakPolarHBondContact CB-OD1 3.35Å; F142-N144 PolarHBondContact O-N 3.18Å; N144-T146 PolarHBondContact ND2-OG1 3.29Å; N144-T146 PolarHBondContact O-N 3.41Å; N144-T146 VanDerWaalsContact OD1-CB 3.26Å; N144-T146 WeakPolarHBondContact OD1-CB 3.16Å; N144-T146 PolarHBondContact OD1-N 2.84Å; N144-T146 PolarHBondContact OD1-OG1 2.92Å; N144-R186 PolarHBondContact O-NH1 2.76Å; N144-R186 PolarHBondContact O-NH2 2.89Å
145R79.7Confident90.2Very high144 Ų14460.4 Ų60.454%0.54329%0.294SS..SBendtrans67.210.9-174.7-55.1-176178-165.3-1.2115F142 Q143 P185F142-R145 WeakPolarHBondContact O-CA 3.42Å; F142-R145 PolarHBondContact O-N 3.01Å; Q143-R145 PolarHBondContact O-N 2.84Å; Q143-R145 VanDerWaalsContact O-N 3.13Å; R145-P185 WeakPolarHBondContact O-CD 3.13Å
146T86.8Confident89.9Confident32 Ų3264.4 Ų64.420%0.19631%0.31CS..  trans-80.8129.4168.1-52.90000108.7F142 N144F142-T146 WeakPolarHBondContact CB-O 3.41Å; F142-T146 PolarHBondContact N-O 3.41Å; N144-T146 PolarHBondContact ND2-OG1 3.29Å; N144-T146 PolarHBondContact O-N 3.41Å; N144-T146 VanDerWaalsContact OD1-CB 3.26Å; N144-T146 WeakPolarHBondContact OD1-CB 3.16Å; N144-T146 PolarHBondContact OD1-N 2.84Å; N144-T146 PolarHBondContact OD1-OG1 2.92Å
147C90.1Very high89.3Confident1 Ų167.6 Ų67.61%0.00733%0.328CS..EExtended strand (participates in β ladder)trans-97118.7174.2-171.50000108.6Q140 L141 S182 W183 C214Q140-C147 CarbonylContact O-C 3.6Å; Q140-C147 WeakPolarHBondContact O-CA 3.45Å; L141-C147 HydrophobicContact CD1-CB 3.96Å; C147-S182 CarbonylContact O-C 3.56Å; C147-S182 WeakPolarHBondContact O-CA 2.9Å; C147-W183 WeakPolarHBondContact CA-O 3.24Å; C147-W183 HydrophobicContact CB-CE3 4.39Å; C147-W183 VanDerWaalsContact CB-O 3.3Å; C147-W183 WeakPolarHBondContact CB-O 3.28Å; C147-W183 PolarHBondContact N-O 3.27Å; C147-W183 PolarHBondContact O-N 2.87Å; C147-C214 HydrophobicContact CB-CB 3.65Å; C147-C214 WeakPolarHBondContact CB-SG 3.44Å; C147-C214 WeakPolarHBondContact SG-CB 3.35Å; C147-C214 CovalentContact SG-SG 2.03Å; C147-C214 PolarHBondContact SG-SG 3.01Å
148E92.9Very high88.3Confident75 Ų7566.7 Ų66.735%0.3533%0.331SS..EExtended strand (participates in β ladder)trans-90.3115168.7176.5173.9-13500108.2S139 Q140 F142 T180S139-E148 CarbonylContact C-O 3.58Å; S139-E148 WeakPolarHBondContact CA-O 3.41Å; S139-E148 WeakPolarHBondContact CB-O 3.4Å; Q140-E148 PolarHBondContact N-O 2.93Å; Q140-E148 PolarHBondContact O-N 2.77Å; F142-E148 HydrophobicContact CD2-CB 4.22Å; F142-E148 HydrophobicContact CE2-CB 3.55Å; F142-E148 HydrophobicContact CE2-CG 4.45Å; F142-E148 WeakPolarHBondContact CE2-OE2 3.05Å; F142-E148 WeakPolarHBondContact CZ-OE2 3.5Å; E148-T180 HydrophobicContact CG-CG2 4.16Å
149I93.4Very high87.6Confident0 Ų064.4 Ų64.40%033%0.326CS..EExtended strand (participates in β ladder)trans-98.6118.2-176.1-65.3173.5000108.1S139 L151 T180 T181 W183 Y193 A210 L213S139-I149 VanDerWaalsContact OG-CA 3.31Å; S139-I149 WeakPolarHBondContact OG-CA 3.22Å; I149-L151 HydrophobicContact CG2-CD1 3.76Å; I149-L151 HydrophobicContact CG2-CD2 4.12Å; I149-L151 HydrophobicContact CG2-CG 3.6Å; I149-T180 CarbonylContact O-C 3.55Å; I149-T180 VanDerWaalsContact O-CA 3.32Å; I149-T180 WeakPolarHBondContact O-CA 3.4Å; I149-T181 HydrophobicContact CB-CG2 3.75Å; I149-T181 HydrophobicContact CG2-CG2 3.98Å; I149-T181 PolarHBondContact N-O 2.93Å; I149-T181 PolarHBondContact O-N 2.85Å; I149-W183 HydrophobicContact CD1-CB 3.81Å; I149-Y193 HydrophobicContact CD1-CD2 4.45Å; I149-Y193 HydrophobicContact CD1-CE2 3.49Å; I149-Y193 VanDerWaalsContact CD1-CE2 3.49Å; I149-Y193 HydrophobicContact CG2-CE2 4.34Å; I149-A210 HydrophobicContact CD1-CB 4.22Å; I149-L213 HydrophobicContact CD1-CD1 4.31Å; I149-L213 HydrophobicContact CG2-CD1 4Å
150H95.2Very high87Confident63 Ų6371.2 Ų71.229%0.29236%0.361SS..EExtended strand (participates in β ladder)trans-118.4114172.7-177.8-113.8000108.7Y138 I179 T180Y138-H150 AromaticContact CD2-ND1 3.48Å; Y138-H150 WeakPolarHBondContact CD2-ND1 3.37Å; Y138-H150 AromaticContact CG-ND1 3.84Å; Y138-H150 PolarHBondContact N-O 2.87Å; H150-I179 WeakPolarHBondContact CA-O 3.39Å; H150-I179 PolarHBondContact CD2-O 2.8Å; H150-T180 PolarHBondContact CD2-OG1 3.44Å
151L96.3Very high87Confident0 Ų068.1 Ų68.10%035%0.348CS..EExtended strand (participates in β ladder)trans-121.3138.7-176.9-58.6173.4000110V135 N136 N137 I149 W166 N178 I179 Y193 V208 L213V135-L151 HydrophobicContact CG1-CB 4.3Å; V135-L151 HydrophobicContact CG1-CD2 4.1Å; N136-L151 WeakPolarHBondContact O-CA 3.48Å; N137-L151 HydrophobicContact CB-CD2 4.04Å; I149-L151 HydrophobicContact CG2-CD1 3.76Å; I149-L151 HydrophobicContact CG2-CD2 4.12Å; I149-L151 HydrophobicContact CG2-CG 3.6Å; L151-W166 HydrophobicContact CB-CH2 3.58Å; L151-W166 HydrophobicContact CB-CZ2 3.72Å; L151-W166 HydrophobicContact CB-CZ3 4.38Å; L151-W166 HydrophobicContact CD1-CH2 3.76Å; L151-W166 HydrophobicContact CD1-CZ3 3.8Å; L151-W166 HydrophobicContact CG-CH2 4.28Å; L151-N178 WeakPolarHBondContact O-CA 3.47Å; L151-I179 HydrophobicContact CB-CD1 4.44Å; L151-I179 HydrophobicContact CB-CG1 3.9Å; L151-I179 HydrophobicContact CD1-CD1 4.14Å; L151-I179 HydrophobicContact CD1-CG1 4.48Å; L151-I179 PolarHBondContact N-O 2.85Å; L151-I179 PolarHBondContact O-N 2.86Å; L151-Y193 HydrophobicContact CD1-CD2 4.31Å; L151-Y193 HydrophobicContact CD1-CG 4.23Å; L151-V208 HydrophobicContact CD1-CG2 3.57Å; L151-V208 HydrophobicContact CD2-CG2 4.43Å; L151-L213 HydrophobicContact CD1-CD1 4.06Å; L151-L213 HydrophobicContact CD2-CD1 4.07Å; L151-L213 HydrophobicContact CD2-CD2 4.07Å
152T96.8Very high87.4Confident30 Ų3066.4 Ų66.418%0.18434%0.34CS..EExtended strand (participates in β ladder)trans-122.8126.2173.5-65.20000108.9V135 N136 N178V135-T152 CarbonylContact C-O 3.12Å; V135-T152 WeakPolarHBondContact CA-O 3.41Å; N136-T152 PolarHBondContact N-O 2.81Å; N136-T152 PolarHBondContact O-N 3.23Å; T152-N178 VanDerWaalsContact CB-OD1 3.32Å; T152-N178 WeakPolarHBondContact CB-OD1 3.24Å; T152-N178 WeakPolarHBondContact CG2-OD1 3.15Å; T152-N178 PolarHBondContact OG1-OD1 3.02Å
153C96.4Very high88Confident3 Ų364.8 Ų64.82%0.0234%0.34CS..EExtended strand (participates in β ladder)trans-100.8137.3176.4-1670000110.9Q134 V135 F164 W166 P177 C195Q134-C153 WeakPolarHBondContact O-CA 3.38Å; V135-C153 HydrophobicContact CG2-CB 4.49Å; C153-F164 HydrophobicContact CB-CD1 4.17Å; C153-W166 HydrophobicContact CB-CZ2 3.69Å; C153-P177 WeakPolarHBondContact CB-O 3.41Å; C153-P177 PolarHBondContact N-O 2.75Å; C153-P177 WeakPolarHBondContact O-CB 3.22Å; C153-C195 HydrophobicContact CB-CB 3.71Å; C153-C195 WeakPolarHBondContact CB-SG 3.06Å; C153-C195 WeakPolarHBondContact SG-CB 3.14Å; C153-C195 CovalentContact SG-SG 2.02Å; C153-C195 PolarHBondContact SG-SG 2.82Å
154S94.9Very high88.9Confident38 Ų3856.5 Ų56.527%0.26630%0.301SS..EExtended strand (participates in β ladder)trans-142.9152.2177.456.20000111Q134Q134-S154 PolarHBondContact N-O 2.91Å; Q134-S154 PolarHBondContact O-N 2.85Å
155V95.1Very high89.7Confident11 Ų1155 Ų557%0.06729%0.288CS..EExtended strand (participates in β ladder)trans-114.9141.4170.2-178.40000108.7L130 T132 I133 A158 F164 A197L130-V155 HydrophobicContact CB-CG1 4.24Å; L130-V155 HydrophobicContact CD2-CG1 3.97Å; T132-V155 WeakPolarHBondContact O-CA 3.42Å; T132-V155 WeakPolarHBondContact O-CG1 3.29Å; I133-V155 HydrophobicContact CG1-CG2 4.49Å; V155-A158 HydrophobicContact CB-CB 4.45Å; V155-A158 WeakPolarHBondContact O-CB 3.49Å; V155-A158 PolarHBondContact O-N 3.27Å; V155-F164 HydrophobicContact CG2-CE1 4.02Å; V155-F164 HydrophobicContact CG2-CZ 4.3Å; V155-A197 HydrophobicContact CG2-CB 3.4Å
156E90.1Very high90.6Very high107 Ų10748.1 Ų48.150%0.526%0.262SS..THydrogen-bonded Turntrans-63136.8174-174.2176.6-165.900111T132 A158T132-E156 VanDerWaalsContact CB-OE2 3.26Å; T132-E156 WeakPolarHBondContact CB-OE2 3.47Å; T132-E156 PolarHBondContact O-N 3.09Å; T132-E156 PolarHBondContact OG1-OE2 2.91Å; E156-A158 PolarHBondContact O-N 2.02Å
157D81.6Confident91.1Very high133 Ų13349.3 Ų49.371%0.71127%0.266SS*.THydrogen-bonded Turntrans50.738.6-175.3-61.4-34.6000113.4D159D157-D159 PolarHBondContact O-N 2.85Å
158A74.5Confident91.3Very high56 Ų5649.6 Ų49.646%0.46327%0.268SS..  trans-57.2125.8179.100000111.1V155 E156V155-A158 HydrophobicContact CB-CB 4.45Å; V155-A158 WeakPolarHBondContact O-CB 3.49Å; V155-A158 PolarHBondContact O-N 3.27Å; E156-A158 PolarHBondContact O-N 2.02Å
159D75.4Confident91.2Very high70 Ų7052.5 Ų52.537%0.37429%0.285SS..  trans-91.7162.6170.7-162.8-0.2000109.1D157 N161 V162D157-D159 PolarHBondContact O-N 2.85Å; D159-N161 PolarHBondContact O-N 2.86Å; D159-N161 PolarHBondContact OD2-ND2 2.74Å; D159-V162 PolarHBondContact O-N 2.82Å
160D77.1Confident91Very high170 Ų17056.5 Ų56.591%0.90933%0.326SS*.THydrogen-bonded Turntrans-65-6.8-177-70.1-29000113.3
161N86.3Confident90.9Very high52 Ų5256.4 Ų56.428%0.27833%0.333SS..THydrogen-bonded Turntrans-94.86.6-17761.142.3000114.9F127 D159F127-N161 HydrophobicContact CD1-CB 4.23Å; F127-N161 WeakPolarHBondContact CD1-ND2 3.43Å; F127-N161 HydrophobicContact CE1-CB 3.84Å; D159-N161 PolarHBondContact O-N 2.86Å; D159-N161 PolarHBondContact OD2-ND2 2.74Å
162V93.5Very high90.9Very high19 Ų1960.4 Ų60.412%0.11536%0.357CS..  trans-90.3125.4177.8-1750000109.9L130 D159 F164 A197 E198L130-V162 HydrophobicContact CD1-CG1 4.36Å; L130-V162 HydrophobicContact CD2-CG1 4.41Å; L130-V162 HydrophobicContact CD2-CG2 3.7Å; D159-V162 PolarHBondContact O-N 2.82Å; V162-F164 HydrophobicContact CB-CE2 4.28Å; V162-F164 HydrophobicContact CG1-CD2 4.49Å; V162-F164 HydrophobicContact CG1-CE1 4.45Å; V162-F164 HydrophobicContact CG1-CE2 3.91Å; V162-F164 HydrophobicContact CG1-CZ 3.89Å; V162-A197 HydrophobicContact CG1-CB 4.12Å; V162-E198 WeakPolarHBondContact CA-O 3.31Å
163S94.9Very high90.8Very high58 Ų5862.9 Ų62.941%0.40637%0.369SS..EExtended strand (participates in β ladder)trans-98.5142.9169.951.40000110.8A197 E198S163-A197 WeakPolarHBondContact O-CA 3.44Å; S163-E198 PolarHBondContact N-O 2.98Å; S163-E198 PolarHBondContact O-N 2.78Å; S163-E198 WeakPolarHBondContact OG-CG 3.45Å; S163-E198 PolarHBondContact OG-O 3.46Å
164F96.1Very high90.8Very high33 Ų3364 Ų6415%0.14538%0.377CS..EExtended strand (participates in β ladder)trans-113146.1177.4-63.9-92.5000109.6C153 V155 V162 S175 P177 I196 A197C153-F164 HydrophobicContact CB-CD1 4.17Å; V155-F164 HydrophobicContact CG2-CE1 4.02Å; V155-F164 HydrophobicContact CG2-CZ 4.3Å; V162-F164 HydrophobicContact CB-CE2 4.28Å; V162-F164 HydrophobicContact CG1-CD2 4.49Å; V162-F164 HydrophobicContact CG1-CE1 4.45Å; V162-F164 HydrophobicContact CG1-CE2 3.91Å; V162-F164 HydrophobicContact CG1-CZ 3.89Å; F164-S175 CarbonylContact O-C 3.5Å; F164-S175 VanDerWaalsContact O-CA 3.28Å; F164-S175 WeakPolarHBondContact O-CA 3.27Å; F164-P177 HydrophobicContact CB-CB 4.41Å; F164-P177 HydrophobicContact CD1-CB 4.37Å; F164-P177 HydrophobicContact CD2-CB 4.17Å; F164-P177 HydrophobicContact CG-CB 4.05Å; F164-I196 CarbonylContact C-O 3.6Å; F164-I196 WeakPolarHBondContact CA-O 3.27Å; F164-A197 HydrophobicContact CD1-CB 3.88Å; F164-A197 HydrophobicContact CE1-CB 3.79Å
165R97.3Very high90.8Very high60 Ų6066.8 Ų66.823%0.22640%0.396CS..EExtended strand (participates in β ladder)trans-145.1151.1163.368176.5-176.6-85.5-0.9111.1E167 T172 S174 C195 I196 E198R165-E167 IonicContact CZ-OE1 3.85Å; R165-E167 IonicContact NE-OE1 3.08Å; R165-E167 PolarHBondContact NE-OE1 2.79Å; R165-E167 IonicContact NH2-OE1 3.77Å; R165-T172 HydrophobicContact CB-CG2 4.45Å; R165-S174 CarbonylContact C-O 3.58Å; R165-S174 VanDerWaalsContact CA-O 3.24Å; R165-S174 WeakPolarHBondContact CA-O 3.37Å; R165-C195 CarbonylContact O-C 3.45Å; R165-C195 WeakPolarHBondContact O-CA 3.29Å; R165-I196 HydrophobicContact CG-CB 3.88Å; R165-I196 HydrophobicContact CG-CD1 4.48Å; R165-I196 PolarHBondContact N-O 2.81Å; R165-I196 PolarHBondContact O-N 2.03Å; R165-E198 IonicContact CZ-OE2 3.8Å; R165-E198 IonicContact NH1-OE1 2.63Å; R165-E198 PolarHBondContact NH1-OE1 2.85Å; R165-E198 IonicContact NH1-OE2 2.96Å; R165-E198 PolarHBondContact NH1-OE2 3.34Å; R165-E198 IonicContact NH2-OE2 2.79Å
166W97.9Very high90.8Very high0 Ų072.1 Ų72.10%042%0.421CS..EExtended strand (participates in β ladder)trans-111.5133.8173.5-76.291.9000110.2V135 L151 C153 T172 L173 S174 P177 I179 T194 C195V135-W166 HydrophobicContact CB-CH2 4.49Å; V135-W166 HydrophobicContact CG1-CH2 3.74Å; V135-W166 HydrophobicContact CG1-CZ2 4.49Å; V135-W166 HydrophobicContact CG2-CH2 3.88Å; V135-W166 HydrophobicContact CG2-CZ2 4.46Å; L151-W166 HydrophobicContact CB-CH2 3.58Å; L151-W166 HydrophobicContact CB-CZ2 3.72Å; L151-W166 HydrophobicContact CB-CZ3 4.38Å; L151-W166 HydrophobicContact CD1-CH2 3.76Å; L151-W166 HydrophobicContact CD1-CZ3 3.8Å; L151-W166 HydrophobicContact CG-CH2 4.28Å; C153-W166 HydrophobicContact CB-CZ2 3.69Å; W166-T172 CarbonylContact O-C 3.51Å; W166-T172 WeakPolarHBondContact O-CA 3.44Å; W166-L173 HydrophobicContact CB-CB 4.31Å; W166-L173 PolarHBondContact O-N 2.86Å; W166-S174 PolarHBondContact N-O 2.88Å; W166-P177 PolarHBondContact NE1-O 2.87Å; W166-I179 HydrophobicContact CB-CD1 4.18Å; W166-I179 HydrophobicContact CB-CG2 3.7Å; W166-I179 HydrophobicContact CD2-CD1 3.52Å; W166-I179 HydrophobicContact CD2-CG1 3.78Å; W166-I179 HydrophobicContact CD2-CG2 4.13Å; W166-I179 HydrophobicContact CE3-CD1 3.52Å; W166-I179 HydrophobicContact CE3-CG1 4.21Å; W166-I179 HydrophobicContact CG-CB 4.35Å; W166-I179 HydrophobicContact CG-CD1 3.85Å; W166-I179 HydrophobicContact CG-CG1 4.03Å; W166-I179 HydrophobicContact CG-CG2 3.44Å; W166-I179 VanDerWaalsContact CG-CG2 3.44Å; W166-I179 HydrophobicContact CH2-CD1 4.49Å; W166-I179 HydrophobicContact CZ2-CD1 4.49Å; W166-I179 HydrophobicContact CZ2-CG1 4.2Å; W166-I179 HydrophobicContact CZ3-CD1 4.05Å; W166-T194 CarbonylContact C-O 3.49Å; W166-T194 WeakPolarHBondContact CA-O 3.11Å; W166-C195 HydrophobicContact CD2-CB 3.96Å; W166-C195 HydrophobicContact CE3-CB 3.91Å; W166-C195 HydrophobicContact CH2-CB 3.73Å; W166-C195 HydrophobicContact CZ2-CB 3.78Å; W166-C195 HydrophobicContact CZ3-CB 3.79Å
167E97.1Very high91Very high57 Ų5769.2 Ų69.227%0.26641%0.411SS..EExtended strand (participates in β ladder)trans-124139.1177.6-67.9178.1-172.400110.6R165 S171 T194 I196R165-E167 IonicContact CZ-OE1 3.85Å; R165-E167 IonicContact NE-OE1 3.08Å; R165-E167 PolarHBondContact NE-OE1 2.79Å; R165-E167 IonicContact NH2-OE1 3.77Å; E167-S171 VanDerWaalsContact CA-O 3.27Å; E167-S171 WeakPolarHBondContact CA-O 3.48Å; E167-T194 PolarHBondContact N-O 2.84Å; E167-T194 PolarHBondContact O-N 2.78Å; E167-I196 HydrophobicContact CG-CD1 4.33Å
168A94.6Very high91.7Very high6 Ų666 Ų665%0.0539%0.394CS..EExtended strand (participates in β ladder)trans-146.4145.4168.100000109.7G170 S171 L173 Y193A168-G170 PolarHBondContact O-N 2.79Å; A168-S171 PolarHBondContact N-O 2.56Å; A168-S171 PolarHBondContact O-N 2.96Å; A168-S171 VanDerWaalsContact O-O 3.13Å; A168-S171 PolarHBondContact O-OG 2.86Å; A168-L173 HydrophobicContact CB-CD1 3.57Å; A168-L173 HydrophobicContact CB-CD2 4.39Å; A168-L173 HydrophobicContact CB-CG 4.04Å; A168-Y193 HydrophobicContact CB-CD1 3.96Å; A168-Y193 HydrophobicContact CB-CE1 4.28Å
169L91.6Very high92.8Very high137 Ų13763.9 Ų63.972%0.71738%0.375SS*.THydrogen-bonded Turntrans50.832180-56.4175.8000113.9S171 Q191L169-S171 VanDerWaalsContact C-N 3.32Å; L169-S171 PolarHBondContact O-N 3.29Å; L169-Q191 HydrophobicContact CD2-CB 3.93Å; L169-Q191 HydrophobicContact CG-CB 4.32Å
170G89.4Confident93.7Very high84 Ų8464.8 Ų64.887%0.86638%0.383SS*.THydrogen-bonded Turntrans76.612.7-178.800000115A168A168-G170 PolarHBondContact O-N 2.79Å
171S92.3Very high94.5Very high61 Ų6158.5 Ų58.543%0.42735%0.351SS..EExtended strand (participates in β ladder)trans-123.5146.1179.764.30000111.9E167 A168 L169 L173E167-S171 VanDerWaalsContact CA-O 3.27Å; E167-S171 WeakPolarHBondContact CA-O 3.48Å; A168-S171 PolarHBondContact N-O 2.56Å; A168-S171 PolarHBondContact O-N 2.96Å; A168-S171 VanDerWaalsContact O-O 3.13Å; A168-S171 PolarHBondContact O-OG 2.86Å; L169-S171 VanDerWaalsContact C-N 3.32Å; L169-S171 PolarHBondContact O-N 3.29Å; S171-L173 PolarHBondContact O-N 2.86Å
172T95.7Very high94.8Very high84 Ų8459.8 Ų59.852%0.51536%0.364SS..EExtended strand (participates in β ladder)trans-75.9120.3172.6-51.50000110R165 W166R165-T172 HydrophobicContact CB-CG2 4.45Å; W166-T172 CarbonylContact O-C 3.51Å; W166-T172 WeakPolarHBondContact O-CA 3.44Å
173L94.6Very high94.7Very high81 Ų8159.8 Ų59.842%0.42436%0.362SS..EExtended strand (participates in β ladder)trans-86.5-40.8177.4-63.9-179.3000112.2W166 A168 S171 I179 Y193W166-L173 HydrophobicContact CB-CB 4.31Å; W166-L173 PolarHBondContact O-N 2.86Å; A168-L173 HydrophobicContact CB-CD1 3.57Å; A168-L173 HydrophobicContact CB-CD2 4.39Å; A168-L173 HydrophobicContact CB-CG 4.04Å; S171-L173 PolarHBondContact O-N 2.86Å; L173-I179 HydrophobicContact CD1-CD1 4.46Å; L173-Y193 HydrophobicContact CD1-CD1 3.78Å; L173-Y193 HydrophobicContact CD1-CE1 4Å
174S96.2Very high94.3Very high27 Ų2757.7 Ų57.719%0.18935%0.346CS..EExtended strand (participates in β ladder)trans-157.3152.4-175.4-177.70000110.6R165 W166 E176 I179R165-S174 CarbonylContact C-O 3.58Å; R165-S174 VanDerWaalsContact CA-O 3.24Å; R165-S174 WeakPolarHBondContact CA-O 3.37Å; W166-S174 PolarHBondContact N-O 2.88Å; S174-E176 WeakPolarHBondContact OG-CB 3.35Å; S174-E176 PolarHBondContact OG-N 2.97Å; S174-E176 VanDerWaalsContact OG-N 3.08Å; S174-I179 VanDerWaalsContact CB-CG2 3.46Å
175S95.7Very high93.8Very high96 Ų9659.5 Ų59.567%0.67136%0.361SS*.SBendtrans-107.217.7170.1-55.30000112.1F164F164-S175 CarbonylContact O-C 3.5Å; F164-S175 VanDerWaalsContact O-CA 3.28Å; F164-S175 WeakPolarHBondContact O-CA 3.27Å
176E94.7Very high93.1Very high124 Ų12463.7 Ų63.758%0.57938%0.377SS*.SBendtrans-105.7159.4176.2-67.4-170.7-178.500110.6S174 N178S174-E176 WeakPolarHBondContact OG-CB 3.35Å; S174-E176 PolarHBondContact OG-N 2.97Å; S174-E176 VanDerWaalsContact OG-N 3.08Å; E176-N178 PolarHBondContact O-N 2.84Å
177P94.9Very high92.5Very high46 Ų4670.5 Ų70.530%0.29941%0.411SS..SBendtrans-64-23.7174.724.9-34.6000113C153 F164 W166C153-P177 WeakPolarHBondContact CB-O 3.41Å; C153-P177 PolarHBondContact N-O 2.75Å; C153-P177 WeakPolarHBondContact O-CB 3.22Å; F164-P177 HydrophobicContact CB-CB 4.41Å; F164-P177 HydrophobicContact CD1-CB 4.37Å; F164-P177 HydrophobicContact CD2-CB 4.17Å; F164-P177 HydrophobicContact CG-CB 4.05Å; W166-P177 PolarHBondContact NE1-O 2.87Å
178N96.5Very high91.9Very high66 Ų6669.6 Ų69.635%0.35341%0.411SS..EExtended strand (participates in β ladder)trans-106.3143.2-176-57.9-39.6000111.7L151 T152 E176L151-N178 WeakPolarHBondContact O-CA 3.47Å; T152-N178 VanDerWaalsContact CB-OD1 3.32Å; T152-N178 WeakPolarHBondContact CB-OD1 3.24Å; T152-N178 WeakPolarHBondContact CG2-OD1 3.15Å; T152-N178 PolarHBondContact OG1-OD1 3.02Å; E176-N178 PolarHBondContact O-N 2.84Å
179I96.6Very high91.4Very high11 Ų1171.8 Ų71.86%0.05644%0.435CS..EExtended strand (participates in β ladder)trans-135.5146.1167.456.6166.1000111.9H150 L151 W166 L173 S174 Y193H150-I179 WeakPolarHBondContact CA-O 3.39Å; H150-I179 PolarHBondContact CD2-O 2.8Å; L151-I179 HydrophobicContact CB-CD1 4.44Å; L151-I179 HydrophobicContact CB-CG1 3.9Å; L151-I179 HydrophobicContact CD1-CD1 4.14Å; L151-I179 HydrophobicContact CD1-CG1 4.48Å; L151-I179 PolarHBondContact N-O 2.85Å; L151-I179 PolarHBondContact O-N 2.86Å; W166-I179 HydrophobicContact CB-CD1 4.18Å; W166-I179 HydrophobicContact CB-CG2 3.7Å; W166-I179 HydrophobicContact CD2-CD1 3.52Å; W166-I179 HydrophobicContact CD2-CG1 3.78Å; W166-I179 HydrophobicContact CD2-CG2 4.13Å; W166-I179 HydrophobicContact CE3-CD1 3.52Å; W166-I179 HydrophobicContact CE3-CG1 4.21Å; W166-I179 HydrophobicContact CG-CB 4.35Å; W166-I179 HydrophobicContact CG-CD1 3.85Å; W166-I179 HydrophobicContact CG-CG1 4.03Å; W166-I179 HydrophobicContact CG-CG2 3.44Å; W166-I179 VanDerWaalsContact CG-CG2 3.44Å; W166-I179 HydrophobicContact CH2-CD1 4.49Å; W166-I179 HydrophobicContact CZ2-CD1 4.49Å; W166-I179 HydrophobicContact CZ2-CG1 4.2Å; W166-I179 HydrophobicContact CZ3-CD1 4.05Å; L173-I179 HydrophobicContact CD1-CD1 4.46Å; S174-I179 VanDerWaalsContact CB-CG2 3.46Å; I179-Y193 HydrophobicContact CD1-CD1 4.08Å; I179-Y193 HydrophobicContact CD1-CG 4.44Å
180T95.1Very high91.2Very high89 Ų8972.9 Ų72.955%0.54644%0.437SS..EExtended strand (participates in β ladder)trans-123.8127.7167.9-48.70000108.6E148 I149 H150E148-T180 HydrophobicContact CG-CG2 4.16Å; I149-T180 CarbonylContact O-C 3.55Å; I149-T180 VanDerWaalsContact O-CA 3.32Å; I149-T180 WeakPolarHBondContact O-CA 3.4Å; H150-T180 PolarHBondContact CD2-OG1 3.44Å
181T93.6Very high91.3Very high38 Ų3870.3 Ų70.323%0.23340%0.402CS..EExtended strand (participates in β ladder)trans-149.3162.5-178-174.90000109.9I149 Y193I149-T181 HydrophobicContact CB-CG2 3.75Å; I149-T181 HydrophobicContact CG2-CG2 3.98Å; I149-T181 PolarHBondContact N-O 2.93Å; I149-T181 PolarHBondContact O-N 2.85Å; T181-Y193 HydrophobicContact CG2-CD1 4.33Å; T181-Y193 HydrophobicContact CG2-CE1 3.48Å; T181-Y193 VanDerWaalsContact CG2-CE1 3.48Å; T181-Y193 HydrophobicContact CG2-CE2 4.31Å; T181-Y193 VanDerWaalsContact CG2-CZ 3.42Å; T181-Y193 WeakPolarHBondContact CG2-OH 3.4Å
182S91.6Very high91.4Very high79 Ų7971.5 Ų71.555%0.55240%0.403SS*.EExtended strand (participates in β ladder)trans-117.4140177.558.90000110.6C147C147-S182 CarbonylContact O-C 3.56Å; C147-S182 WeakPolarHBondContact O-CA 2.9Å
183W91.8Very high91.4Very high19 Ų1967.5 Ų67.57%0.07238%0.379CS..EExtended strand (participates in β ladder)trans-134.4129.7177.8-176.583.2000109.1C147 I149 P185 G189 A210 Q211 C214C147-W183 WeakPolarHBondContact CA-O 3.24Å; C147-W183 HydrophobicContact CB-CE3 4.39Å; C147-W183 VanDerWaalsContact CB-O 3.3Å; C147-W183 WeakPolarHBondContact CB-O 3.28Å; C147-W183 PolarHBondContact N-O 3.27Å; C147-W183 PolarHBondContact O-N 2.87Å; I149-W183 HydrophobicContact CD1-CB 3.81Å; W183-P185 HydrophobicContact CH2-CB 3.53Å; W183-P185 HydrophobicContact CH2-CG 4.4Å; W183-P185 HydrophobicContact CZ2-CB 4.27Å; W183-P185 HydrophobicContact CZ3-CB 3.69Å; W183-P185 HydrophobicContact CZ3-CG 4.07Å; W183-G189 PolarHBondContact NE1-O 3.11Å; W183-A210 HydrophobicContact CB-CB 4.48Å; W183-A210 HydrophobicContact CD2-CB 3.8Å; W183-A210 HydrophobicContact CE3-CB 4.5Å; W183-A210 HydrophobicContact CG-CB 3.76Å; W183-A210 HydrophobicContact CZ2-CB 4.47Å; W183-Q211 HydrophobicContact CH2-CB 4.47Å; W183-Q211 HydrophobicContact CH2-CG 3.9Å; W183-Q211 HydrophobicContact CZ2-CG 3.81Å; W183-C214 HydrophobicContact CE3-CB 3.78Å; W183-C214 HydrophobicContact CZ3-CB 3.77Å
184D87.9Confident91.6Very high13 Ų1365 Ų657%0.0737%0.367CS..  trans-123118.1176.1178.5-22.5000109R186 I187 S188D184-R186 PolarHBondContact O-N 3.39Å; D184-R186 VanDerWaalsContact OD1-CB 3.29Å; D184-R186 WeakPolarHBondContact OD1-CB 3.4Å; D184-R186 WeakPolarHBondContact OD1-CG 3.32Å; D184-R186 IonicContact OD1-CZ 3.45Å; D184-R186 PolarHBondContact OD1-N 3.24Å; D184-R186 IonicContact OD1-NE 3.31Å; D184-R186 PolarHBondContact OD1-NE 2.83Å; D184-R186 VanDerWaalsContact OD1-NE 3.08Å; D184-R186 IonicContact OD1-NH2 2.72Å; D184-R186 IonicContact OD2-CZ 3.9Å; D184-R186 IonicContact OD2-NE 3.81Å; D184-R186 PolarHBondContact OD2-NE 2.95Å; D184-R186 IonicContact OD2-NH2 3.98Å; D184-R186 PolarHBondContact OD2-NH2 3.27Å; D184-I187 HydrophobicContact CB-CD1 4Å; D184-I187 HydrophobicContact CB-CG1 3.6Å; D184-I187 PolarHBondContact O-N 2.97Å; D184-I187 VanDerWaalsContact O-N 3.1Å; D184-S188 PolarHBondContact N-OG 3.48Å; D184-S188 VanDerWaalsContact O-CB 3.23Å; D184-S188 WeakPolarHBondContact O-CB 3.48Å; D184-S188 PolarHBondContact O-N 3.44Å; D184-S188 PolarHBondContact O-OG 2.98Å
185P83.8Confident91.6Very high72 Ų7263.7 Ų63.747%0.46836%0.358SS..THydrogen-bonded Turntrans-60-15.1-17623.5-33.5000114.3R145 W183R145-P185 WeakPolarHBondContact O-CD 3.13Å; W183-P185 HydrophobicContact CH2-CB 3.53Å; W183-P185 HydrophobicContact CH2-CG 4.4Å; W183-P185 HydrophobicContact CZ2-CB 4.27Å; W183-P185 HydrophobicContact CZ3-CB 3.69Å; W183-P185 HydrophobicContact CZ3-CG 4.07Å
186R83.5Confident91.7Very high147 Ų14759.8 Ų59.856%0.55533%0.329SS*.THydrogen-bonded Turntrans-85-25.9-179.6-59.8173.6-67.2-159.8-0.6113.4N144 D184N144-R186 PolarHBondContact O-NH1 2.76Å; N144-R186 PolarHBondContact O-NH2 2.89Å; D184-R186 PolarHBondContact O-N 3.39Å; D184-R186 VanDerWaalsContact OD1-CB 3.29Å; D184-R186 WeakPolarHBondContact OD1-CB 3.4Å; D184-R186 WeakPolarHBondContact OD1-CG 3.32Å; D184-R186 IonicContact OD1-CZ 3.45Å; D184-R186 PolarHBondContact OD1-N 3.24Å; D184-R186 IonicContact OD1-NE 3.31Å; D184-R186 PolarHBondContact OD1-NE 2.83Å; D184-R186 VanDerWaalsContact OD1-NE 3.08Å; D184-R186 IonicContact OD1-NH2 2.72Å; D184-R186 IonicContact OD2-CZ 3.9Å; D184-R186 IonicContact OD2-NE 3.81Å; D184-R186 PolarHBondContact OD2-NE 2.95Å; D184-R186 IonicContact OD2-NH2 3.98Å; D184-R186 PolarHBondContact OD2-NH2 3.27Å
187I85.4Confident91.8Very high143 Ų14353.9 Ų53.973%0.73330%0.302SS*.THydrogen-bonded Turntrans-125.2-27.3-17254.9168.3000112.7D184D184-I187 HydrophobicContact CB-CD1 4Å; D184-I187 HydrophobicContact CB-CG1 3.6Å; D184-I187 PolarHBondContact O-N 2.97Å; D184-I187 VanDerWaalsContact O-N 3.1Å
188S84.7Confident91.8Very high38 Ų3854.9 Ų54.927%0.26630%0.303SS..  trans-90.8136179-56.10000109.9D184D184-S188 PolarHBondContact N-OG 3.48Å; D184-S188 VanDerWaalsContact O-CB 3.23Å; D184-S188 WeakPolarHBondContact O-CB 3.48Å; D184-S188 PolarHBondContact O-N 3.44Å; D184-S188 PolarHBondContact O-OG 2.98Å
189G83.9Confident91.7Very high53 Ų5352.7 Ų52.755%0.54629%0.291SS..  trans-71.8178.6170.400000112.5W183 Q191W183-G189 PolarHBondContact NE1-O 3.11Å; G189-Q191 PolarHBondContact O-N 3.36Å
190E86.7Confident91.6Very high160 Ų16054.8 Ų54.875%0.74831%0.31SS*.  trans-61.9127.8168.9-57.6-148.7133.200110Q211E190-Q211 PolarHBondContact OE1-NE2 3.31Å
191Q91.8Very high91.6Very high29 Ų2952.6 Ų52.614%0.13630%0.296CS..  trans-149.5144.7177.672.2-175.79.300112L169 G189 Y193 A210L169-Q191 HydrophobicContact CD2-CB 3.93Å; L169-Q191 HydrophobicContact CG-CB 4.32Å; G189-Q191 PolarHBondContact O-N 3.36Å; Q191-Y193 HydrophobicContact CG-CE2 4.35Å; Q191-Y193 PolarHBondContact NE2-OH 3.48Å; Q191-A210 HydrophobicContact CG-CB 3.94Å; Q191-A210 WeakPolarHBondContact O-CB 3.36Å; Q191-A210 PolarHBondContact O-N 2.97Å
192D95.2Very high91.7Very high86 Ų8651.6 Ų51.646%0.4629%0.29SS..EExtended strand (participates in β ladder)trans-107.5136.3174.1-64.1-36.1000109.8V208 S209D192-V208 WeakPolarHBondContact CA-O 3.42Å; D192-S209 WeakPolarHBondContact OD1-CA 3.48Å; D192-S209 VanDerWaalsContact OD1-CB 3.22Å; D192-S209 WeakPolarHBondContact OD1-CB 3.33Å
193Y95.8Very high91.8Very high1 Ų153 Ų530%0.00429%0.292CS..EExtended strand (participates in β ladder)trans-96.3117.8168.8-57.5-80.3000108.2I149 L151 A168 L173 I179 T181 Q191 S207 V208 A210 L213I149-Y193 HydrophobicContact CD1-CD2 4.45Å; I149-Y193 HydrophobicContact CD1-CE2 3.49Å; I149-Y193 VanDerWaalsContact CD1-CE2 3.49Å; I149-Y193 HydrophobicContact CG2-CE2 4.34Å; L151-Y193 HydrophobicContact CD1-CD2 4.31Å; L151-Y193 HydrophobicContact CD1-CG 4.23Å; A168-Y193 HydrophobicContact CB-CD1 3.96Å; A168-Y193 HydrophobicContact CB-CE1 4.28Å; L173-Y193 HydrophobicContact CD1-CD1 3.78Å; L173-Y193 HydrophobicContact CD1-CE1 4Å; I179-Y193 HydrophobicContact CD1-CD1 4.08Å; I179-Y193 HydrophobicContact CD1-CG 4.44Å; T181-Y193 HydrophobicContact CG2-CD1 4.33Å; T181-Y193 HydrophobicContact CG2-CE1 3.48Å; T181-Y193 VanDerWaalsContact CG2-CE1 3.48Å; T181-Y193 HydrophobicContact CG2-CE2 4.31Å; T181-Y193 VanDerWaalsContact CG2-CZ 3.42Å; T181-Y193 WeakPolarHBondContact CG2-OH 3.4Å; Q191-Y193 HydrophobicContact CG-CE2 4.35Å; Q191-Y193 PolarHBondContact NE2-OH 3.48Å; Y193-S207 CarbonylContact O-C 3.57Å; Y193-S207 WeakPolarHBondContact O-CA 3.16Å; Y193-V208 PolarHBondContact N-O 2.75Å; Y193-V208 PolarHBondContact O-N 2.85Å; Y193-A210 HydrophobicContact CE2-CB 3.82Å; Y193-L213 HydrophobicContact CD2-CD1 4.24Å
194T97.6Very high92.1Very high27 Ų2754.1 Ų54.117%0.16630%0.299CS..EExtended strand (participates in β ladder)trans-108.9116.3-179.2-57.60000109.3W166 E167 I196 F206 S207W166-T194 CarbonylContact C-O 3.49Å; W166-T194 WeakPolarHBondContact CA-O 3.11Å; E167-T194 PolarHBondContact N-O 2.84Å; E167-T194 PolarHBondContact O-N 2.78Å; T194-I196 HydrophobicContact CG2-CG1 4.02Å; T194-F206 WeakPolarHBondContact CA-O 3.38Å; T194-S207 WeakPolarHBondContact CB-OG 3.49Å; T194-S207 VanDerWaalsContact CG2-OG 3.29Å; T194-S207 WeakPolarHBondContact CG2-OG 3.34Å; T194-S207 WeakPolarHBondContact OG1-CB 3.3Å; T194-S207 PolarHBondContact OG1-OG 2.83Å
195C97.8Very high92.5Very high0 Ų057.2 Ų57.20%032%0.322CS..EExtended strand (participates in β ladder)trans-82.4135.3164.5176.30000108.9I133 V135 C153 R165 W166 S205 F206I133-C195 HydrophobicContact CD1-CB 4.44Å; V135-C195 HydrophobicContact CG2-CB 4.08Å; C153-C195 HydrophobicContact CB-CB 3.71Å; C153-C195 WeakPolarHBondContact CB-SG 3.06Å; C153-C195 WeakPolarHBondContact SG-CB 3.14Å; C153-C195 CovalentContact SG-SG 2.02Å; C153-C195 PolarHBondContact SG-SG 2.82Å; R165-C195 CarbonylContact O-C 3.45Å; R165-C195 WeakPolarHBondContact O-CA 3.29Å; W166-C195 HydrophobicContact CD2-CB 3.96Å; W166-C195 HydrophobicContact CE3-CB 3.91Å; W166-C195 HydrophobicContact CH2-CB 3.73Å; W166-C195 HydrophobicContact CZ2-CB 3.78Å; W166-C195 HydrophobicContact CZ3-CB 3.79Å; C195-S205 CarbonylContact O-C 3.51Å; C195-S205 WeakPolarHBondContact O-CA 2.98Å; C195-F206 PolarHBondContact N-O 2.82Å; C195-F206 PolarHBondContact O-N 2.69Å
196I97.1Very high93.1Very high15 Ų1558 Ų588%0.07732%0.318CS..EExtended strand (participates in β ladder)trans-121.5122.6170.8-54.3173000107.3F164 R165 E167 T194 L204F164-I196 CarbonylContact C-O 3.6Å; F164-I196 WeakPolarHBondContact CA-O 3.27Å; R165-I196 HydrophobicContact CG-CB 3.88Å; R165-I196 HydrophobicContact CG-CD1 4.48Å; R165-I196 PolarHBondContact N-O 2.81Å; R165-I196 PolarHBondContact O-N 2.03Å; E167-I196 HydrophobicContact CG-CD1 4.33Å; T194-I196 HydrophobicContact CG2-CG1 4.02Å; I196-L204 CarbonylContact C-O 3.51Å; I196-L204 WeakPolarHBondContact CA-O 3.17Å
197A96.6Very high93.7Very high0 Ų054.1 Ų54.10%031%0.313CS..EExtended strand (participates in β ladder)trans-110.3129.7171.900000108.6L130 I133 V155 V162 S163 F164 N203 L204L130-A197 HydrophobicContact CD1-CB 4.38Å; L130-A197 WeakPolarHBondContact CD1-O 2.94Å; I133-A197 HydrophobicContact CD1-CB 4.03Å; V155-A197 HydrophobicContact CG2-CB 3.4Å; V162-A197 HydrophobicContact CG1-CB 4.12Å; S163-A197 WeakPolarHBondContact O-CA 3.44Å; F164-A197 HydrophobicContact CD1-CB 3.88Å; F164-A197 HydrophobicContact CE1-CB 3.79Å; A197-N203 CarbonylContact O-C 3.57Å; A197-N203 WeakPolarHBondContact O-CA 3.49Å; A197-L204 PolarHBondContact N-O 3.1Å; A197-L204 PolarHBondContact O-N 2.72Å
198E95.3Very high94.2Very high67 Ų6748.3 Ų48.331%0.31329%0.285SS..EExtended strand (participates in β ladder)trans-140.5150-176.770.8-169.7175.300111.9V162 S163 R165 S202 N203V162-E198 WeakPolarHBondContact CA-O 3.31Å; S163-E198 PolarHBondContact N-O 2.98Å; S163-E198 PolarHBondContact O-N 2.78Å; S163-E198 WeakPolarHBondContact OG-CG 3.45Å; S163-E198 PolarHBondContact OG-O 3.46Å; R165-E198 IonicContact CZ-OE2 3.8Å; R165-E198 IonicContact NH1-OE1 2.63Å; R165-E198 PolarHBondContact NH1-OE1 2.85Å; R165-E198 IonicContact NH1-OE2 2.96Å; R165-E198 PolarHBondContact NH1-OE2 3.34Å; R165-E198 IonicContact NH2-OE2 2.79Å; E198-S202 WeakPolarHBondContact CA-O 3.39Å; E198-N203 HydrophobicContact CB-CB 3.94Å
199N94.8Very high94.6Very high19 Ų1947.9 Ų47.910%0.10228%0.282CS..EExtended strand (participates in β ladder)trans-132-177.816670.59.5000109.1R128 V201 S202R128-N199 PolarHBondContact O-ND2 2.87Å; N199-V201 PolarHBondContact O-N 3.08Å; N199-V201 WeakPolarHBondContact OD1-CG2 3.16Å; N199-V201 PolarHBondContact OD1-N 3.31Å; N199-S202 PolarHBondContact N-O 3.49Å; N199-S202 PolarHBondContact O-N 3.43Å; N199-S202 PolarHBondContact OD1-N 2.98Å; N199-S202 PolarHBondContact OD1-O 2.91Å; N199-S202 PolarHBondContact OD1-OG 2.86Å
200A94.4Very high95Very high55 Ų5545.4 Ų45.446%0.45526%0.256SS..THydrogen-bonded Turntrans-64.1-8.6-172.300000115.3N31 F127N31-A200 HydrophobicContact CB-CB 4.46Å; N31-A200 WeakPolarHBondContact ND2-CB 3.41Å; F127-A200 HydrophobicContact CD1-CB 4.39Å; F127-A200 HydrophobicContact CD2-CB 4.09Å; F127-A200 HydrophobicContact CE1-CB 4.03Å; F127-A200 HydrophobicContact CE2-CB 3.71Å; F127-A200 HydrophobicContact CG-CB 4.42Å; F127-A200 HydrophobicContact CZ-CB 3.67Å
201V94.3Very high95.1Very high43 Ų4340.1 Ų40.126%0.26123%0.231SC..THydrogen-bonded Turntrans-127.6-12.2-176.4-58.80000114.2N31 V33 F127 N199N31-V201 HydrophobicContact CB-CG1 3.94Å; V33-V201 HydrophobicContact CG2-CB 3.84Å; V33-V201 HydrophobicContact CG2-CG1 4.05Å; V33-V201 HydrophobicContact CG2-CG2 4.07Å; F127-V201 HydrophobicContact CB-CB 4.46Å; F127-V201 HydrophobicContact CB-CG1 4.05Å; F127-V201 HydrophobicContact CB-CG2 3.55Å; F127-V201 HydrophobicContact CD2-CG1 3.91Å; F127-V201 HydrophobicContact CG-CG1 4.27Å; F127-V201 HydrophobicContact CG-CG2 4.41Å; N199-V201 PolarHBondContact O-N 3.08Å; N199-V201 WeakPolarHBondContact OD1-CG2 3.16Å; N199-V201 PolarHBondContact OD1-N 3.31Å
202S94.8Very high94.9Very high17 Ų1746.9 Ų46.912%0.11926%0.26CS..EExtended strand (participates in β ladder)trans-158.9156-173.759.90000113.2L130 E198 N199L130-S202 WeakPolarHBondContact CG-OG 3.32Å; L130-S202 PolarHBondContact N-OG 3.06Å; L130-S202 VanDerWaalsContact N-OG 3.08Å; E198-S202 WeakPolarHBondContact CA-O 3.39Å; N199-S202 PolarHBondContact N-O 3.49Å; N199-S202 PolarHBondContact O-N 3.43Å; N199-S202 PolarHBondContact OD1-N 2.98Å; N199-S202 PolarHBondContact OD1-O 2.91Å; N199-S202 PolarHBondContact OD1-OG 2.86Å
203N95.4Very high94.6Very high109 Ų10943.9 Ų43.958%0.58324%0.244SC*.EExtended strand (participates in β ladder)trans-135.5148.4174.467.3-21000111.3A197 E198A197-N203 CarbonylContact O-C 3.57Å; A197-N203 WeakPolarHBondContact O-CA 3.49Å; E198-N203 HydrophobicContact CB-CB 3.94Å
204L96.4Very high94.2Very high42 Ų4244.3 Ų44.322%0.2225%0.247CC..EExtended strand (participates in β ladder)trans-132.6147.6171.7-69.1179.2000109.2L130 R131 I133 I196 A197L130-L204 HydrophobicContact CB-CD1 3.62Å; L130-L204 HydrophobicContact CB-CG 3.87Å; R131-L204 WeakPolarHBondContact O-CD1 3.3Å; I133-L204 HydrophobicContact CB-CB 4.07Å; I133-L204 HydrophobicContact CB-CD1 4.13Å; I133-L204 HydrophobicContact CD1-CB 4.31Å; I133-L204 HydrophobicContact CG2-CB 4Å; I133-L204 HydrophobicContact CG2-CD1 4.31Å; I196-L204 CarbonylContact C-O 3.51Å; I196-L204 WeakPolarHBondContact CA-O 3.17Å; A197-L204 PolarHBondContact N-O 3.1Å; A197-L204 PolarHBondContact O-N 2.72Å
205S96.6Very high93Very high79 Ų7946 Ų4655%0.55227%0.269SS*.EExtended strand (participates in β ladder)trans-132.8142.7176.560.10000111.1C195C195-S205 CarbonylContact O-C 3.51Å; C195-S205 WeakPolarHBondContact O-CA 2.98Å
206F96.8Very high91.2Very high89 Ų8953 Ų5339%0.3931%0.307SS..EExtended strand (participates in β ladder)trans-138.1124.8175-165.7-86.5000110.4I133 V135 T194 C195 V208I133-F206 HydrophobicContact CD1-CB 4.04Å; I133-F206 HydrophobicContact CG1-CB 4.1Å; I133-F206 HydrophobicContact CG2-CB 3.88Å; I133-F206 HydrophobicContact CG2-CD2 4.31Å; V135-F206 HydrophobicContact CB-CD1 3.79Å; V135-F206 HydrophobicContact CB-CE1 4.1Å; V135-F206 HydrophobicContact CG2-CB 4.07Å; V135-F206 HydrophobicContact CG2-CD1 3.55Å; V135-F206 HydrophobicContact CG2-CE1 4.36Å; V135-F206 HydrophobicContact CG2-CG 4.11Å; T194-F206 WeakPolarHBondContact CA-O 3.38Å; C195-F206 PolarHBondContact N-O 2.82Å; C195-F206 PolarHBondContact O-N 2.69Å; F206-V208 HydrophobicContact CD1-CG1 3.97Å; F206-V208 HydrophobicContact CE1-CG1 3.57Å
207S96.6Very high89.1Confident64 Ų6455.9 Ų55.945%0.44833%0.325SS..EExtended strand (participates in β ladder)trans-110.9138.8-176.3-53.60000111.7Y193 T194Y193-S207 CarbonylContact O-C 3.57Å; Y193-S207 WeakPolarHBondContact O-CA 3.16Å; T194-S207 WeakPolarHBondContact CB-OG 3.49Å; T194-S207 VanDerWaalsContact CG2-OG 3.29Å; T194-S207 WeakPolarHBondContact CG2-OG 3.34Å; T194-S207 WeakPolarHBondContact OG1-CB 3.3Å; T194-S207 PolarHBondContact OG1-OG 2.83Å
208V95.3Very high86.6Confident22 Ų2265.1 Ų65.113%0.13337%0.365CS..EExtended strand (participates in β ladder)trans-129.4131.3175-69.10000110.7V135 L151 D192 Y193 F206 L213V135-V208 HydrophobicContact CG1-CG1 4.23Å; V135-V208 HydrophobicContact CG1-CG2 4.34Å; L151-V208 HydrophobicContact CD1-CG2 3.57Å; L151-V208 HydrophobicContact CD2-CG2 4.43Å; D192-V208 WeakPolarHBondContact CA-O 3.42Å; Y193-V208 PolarHBondContact N-O 2.75Å; Y193-V208 PolarHBondContact O-N 2.85Å; F206-V208 HydrophobicContact CD1-CG1 3.97Å; F206-V208 HydrophobicContact CE1-CG1 3.57Å; V208-L213 HydrophobicContact CB-CD1 4.13Å; V208-L213 HydrophobicContact CB-CD2 4.3Å; V208-L213 HydrophobicContact CB-CG 4.35Å; V208-L213 HydrophobicContact CG2-CD1 3.81Å; V208-L213 HydrophobicContact CG2-CD2 4.49Å
209S94.1Very high84.6Confident29 Ų2967 Ų6720%0.20338%0.376CS..EExtended strand (participates in β ladder)trans-78.8133.4178.7160.40000111.6D192 Q211 K212 L213D192-S209 WeakPolarHBondContact OD1-CA 3.48Å; D192-S209 VanDerWaalsContact OD1-CB 3.22Å; D192-S209 WeakPolarHBondContact OD1-CB 3.33Å; S209-Q211 PolarHBondContact O-N 2.8Å; S209-Q211 PolarHBondContact OG-N 2.91Å; S209-Q211 PolarHBondContact OG-OE1 3.1Å; S209-K212 PolarHBondContact O-N 2.88Å; S209-K212 VanDerWaalsContact O-N 3.11Å; S209-K212 PolarHBondContact OG-N 2.74Å; S209-L213 VanDerWaalsContact O-CG 3.27Å; S209-L213 WeakPolarHBondContact O-CG 3.34Å; S209-L213 PolarHBondContact O-N 3.08Å
210A91.5Very high82.2Confident0 Ų075 Ų750%041%0.413CS..Hα-helixtrans-56-40.2174.200000112.1I149 W183 Q191 Y193 K212 L213 C214I149-A210 HydrophobicContact CD1-CB 4.22Å; W183-A210 HydrophobicContact CB-CB 4.48Å; W183-A210 HydrophobicContact CD2-CB 3.8Å; W183-A210 HydrophobicContact CE3-CB 4.5Å; W183-A210 HydrophobicContact CG-CB 3.76Å; W183-A210 HydrophobicContact CZ2-CB 4.47Å; Q191-A210 HydrophobicContact CG-CB 3.94Å; Q191-A210 WeakPolarHBondContact O-CB 3.36Å; Q191-A210 PolarHBondContact O-N 2.97Å; Y193-A210 HydrophobicContact CE2-CB 3.82Å; A210-K212 VanDerWaalsContact C-N 3.33Å; A210-K212 PolarHBondContact O-N 2.95Å; A210-L213 PolarHBondContact O-N 3.36Å; A210-C214 VanDerWaalsContact O-CB 3.29Å; A210-C214 WeakPolarHBondContact O-CB 3.33Å; A210-C214 PolarHBondContact O-N 3.28Å; A210-C214 PolarHBondContact O-SG 2.92Å; A210-C214 VanDerWaalsContact O-SG 3.36Å
211Q88.4Confident80.3Confident49 Ų4979.6 Ų79.623%0.22942%0.42CS..Hα-helixtrans-66.7-35.2178.8-54.493.6-61.900111.7W183 E190 S209 G215W183-Q211 HydrophobicContact CH2-CB 4.47Å; W183-Q211 HydrophobicContact CH2-CG 3.9Å; W183-Q211 HydrophobicContact CZ2-CG 3.81Å; E190-Q211 PolarHBondContact OE1-NE2 3.31Å; S209-Q211 PolarHBondContact O-N 2.8Å; S209-Q211 PolarHBondContact OG-N 2.91Å; S209-Q211 PolarHBondContact OG-OE1 3.1Å; Q211-G215 WeakPolarHBondContact O-CA 3.45Å; Q211-G215 PolarHBondContact O-N 2.98Å
212K88.6Confident78.3Confident171 Ų17183 Ų8374%0.74344%0.441SS*.Hα-helixtrans-71.4-40.9174.5-173.1178.5178.9-177.80111.4S209 A210 C214S209-K212 PolarHBondContact O-N 2.88Å; S209-K212 VanDerWaalsContact O-N 3.11Å; S209-K212 PolarHBondContact OG-N 2.74Å; A210-K212 VanDerWaalsContact C-N 3.33Å; A210-K212 PolarHBondContact O-N 2.95Å; K212-C214 VanDerWaalsContact C-N 3.33Å
213L89.4Confident76.6Confident24 Ų2485.4 Ų85.413%0.12645%0.452CS..Hα-helixtrans-65.6-37.6178.9-65.6169.1000112N137 I149 L151 Y193 V208 S209 A210N137-L213 HydrophobicContact CB-CD2 4.01Å; N137-L213 VanDerWaalsContact CG-CD2 3.47Å; N137-L213 WeakPolarHBondContact ND2-CD2 3.44Å; I149-L213 HydrophobicContact CD1-CD1 4.31Å; I149-L213 HydrophobicContact CG2-CD1 4Å; L151-L213 HydrophobicContact CD1-CD1 4.06Å; L151-L213 HydrophobicContact CD2-CD1 4.07Å; L151-L213 HydrophobicContact CD2-CD2 4.07Å; Y193-L213 HydrophobicContact CD2-CD1 4.24Å; V208-L213 HydrophobicContact CB-CD1 4.13Å; V208-L213 HydrophobicContact CB-CD2 4.3Å; V208-L213 HydrophobicContact CB-CG 4.35Å; V208-L213 HydrophobicContact CG2-CD1 3.81Å; V208-L213 HydrophobicContact CG2-CD2 4.49Å; S209-L213 VanDerWaalsContact O-CG 3.27Å; S209-L213 WeakPolarHBondContact O-CG 3.34Å; S209-L213 PolarHBondContact O-N 3.08Å; A210-L213 PolarHBondContact O-N 3.36Å
214C85.8Confident75.1Confident10 Ų1083.7 Ų83.77%0.06845%0.446CS..Hα-helixtrans-106.7-9-172.6-570000114.2C147 W183 A210 K212C147-C214 HydrophobicContact CB-CB 3.65Å; C147-C214 WeakPolarHBondContact CB-SG 3.44Å; C147-C214 WeakPolarHBondContact SG-CB 3.35Å; C147-C214 CovalentContact SG-SG 2.03Å; C147-C214 PolarHBondContact SG-SG 3.01Å; W183-C214 HydrophobicContact CE3-CB 3.78Å; W183-C214 HydrophobicContact CZ3-CB 3.77Å; A210-C214 VanDerWaalsContact O-CB 3.29Å; A210-C214 WeakPolarHBondContact O-CB 3.33Å; A210-C214 PolarHBondContact O-N 3.28Å; A210-C214 PolarHBondContact O-SG 2.92Å; A210-C214 VanDerWaalsContact O-SG 3.36Å; K212-C214 VanDerWaalsContact C-N 3.33Å
215G73.7Confident73.8Confident61 Ų6188 Ų8863%0.62946%0.463SS*.Hα-helixtrans-82.5-17.9-176.200000114.8Q211Q211-G215 WeakPolarHBondContact O-CA 3.45Å; Q211-G215 PolarHBondContact O-N 2.98Å
216D58.4Low72.6Confident149 Ų14989.9 Ų89.980%0.79746%0.464SS*.  trans-10312.8-171-124-3.2000114.8K218D216-K218 PolarHBondContact O-N 3.13Å
217V53.3Low71.7Confident75 Ų7590.4 Ų90.446%0.45547%0.47SS..  trans-8995.5169.1-174.60000107.8L141 I219L141-V217 HydrophobicContact CB-CB 4.16Å; L141-V217 HydrophobicContact CB-CG1 4.23Å; L141-V217 HydrophobicContact CB-CG2 4.12Å; L141-V217 HydrophobicContact CD2-CB 3.88Å; L141-V217 HydrophobicContact CD2-CG1 4.15Å; V217-I219 VanDerWaalsContact C-N 3.32Å; V217-I219 PolarHBondContact O-N 3.39Å
218K45Very low71Confident193 Ų19393.2 Ų93.284%0.83948%0.479SS*.  trans-51.1104.7159.8-71.2-178.5-177.3177.20106.4D216 Q220D216-K218 PolarHBondContact O-N 3.13Å; K218-Q220 PolarHBondContact O-N 2.97Å
219I52.6Low70.5Confident108 Ų10898.7 Ų98.755%0.55450%0.502SS*.  trans-48.9110.8167.8-59.6174.2000104.2V217 Y221V217-I219 VanDerWaalsContact C-N 3.32Å; V217-I219 PolarHBondContact O-N 3.39Å; I219-Y221 PolarHBondContact O-N 2.92Å
220Q45Very low70.1Confident187 Ų187101.4 Ų101.487%0.87452%0.517SS*.  trans-65.679.9163.6-89.1-174.310.100105K218 T222K218-Q220 PolarHBondContact O-N 2.97Å; Q220-T222 PolarHBondContact O-N 3.19Å
221Y53.7Low70.1Confident151 Ų151105 Ų10559%0.59254%0.539SS*.  trans-65.295.9159.4-152.3-110.1000102.1I219 D223 T224I219-Y221 PolarHBondContact O-N 2.92Å; Y221-D223 WeakPolarHBondContact O-CA 3.29Å; Y221-D223 PolarHBondContact O-N 3.28Å; Y221-T224 HydrophobicContact CE1-CG2 4.21Å; Y221-T224 WeakPolarHBondContact CE1-OG1 3.45Å; Y221-T224 PolarHBondContact OH-OG1 3.3Å
222T52.2Low70.2Confident115 Ų115109 Ų10971%0.70656%0.555SS**  trans-52.598155.46.30000103.4Q220 T224Q220-T222 PolarHBondContact O-N 3.19Å; T222-T224 PolarHBondContact O-N 2.91Å
223D60.2Low70.3Confident66 Ų66102.3 Ų102.335%0.35354%0.535SS..  trans-56.5108.2-159.1-1756.7000106.6Y221 K225 M226 I227Y221-D223 WeakPolarHBondContact O-CA 3.29Å; Y221-D223 PolarHBondContact O-N 3.28Å; D223-K225 CarbonylContact O-C 3.52Å; D223-K225 PolarHBondContact O-N 2.97Å; D223-K225 WeakPolarHBondContact OD1-CB 3.23Å; D223-K225 WeakPolarHBondContact OD1-CG 3.03Å; D223-K225 PolarHBondContact OD1-N 3.29Å; D223-K225 VanDerWaalsContact OD1-N 3.1Å; D223-M226 HydrophobicContact CB-CB 3.91Å; D223-M226 HydrophobicContact CB-CG 3.85Å; D223-M226 WeakPolarHBondContact O-CA 3.45Å; D223-M226 WeakPolarHBondContact O-CB 3.26Å; D223-M226 PolarHBondContact O-N 3.32Å; D223-I227 PolarHBondContact O-N 2.92Å
224T62.7Low70.5Confident74 Ų74106 Ų10645%0.45455%0.554SS.*Hα-helixtrans-58-21.4178.145.30000109.1Y221 T222 L228Y221-T224 HydrophobicContact CE1-CG2 4.21Å; Y221-T224 WeakPolarHBondContact CE1-OG1 3.45Å; Y221-T224 PolarHBondContact OH-OG1 3.3Å; T222-T224 PolarHBondContact O-N 2.91Å; T224-L228 VanDerWaalsContact O-CB 3.28Å; T224-L228 WeakPolarHBondContact O-CB 3.48Å; T224-L228 PolarHBondContact O-N 2.86Å
225K69.6Low70.7Confident133 Ų133109 Ų10958%0.57857%0.574SS**Hα-helixtrans-68.7-40.9166.1-53.4-167.8173.3-173.50113.4D223 I227 L228 F229D223-K225 CarbonylContact O-C 3.52Å; D223-K225 PolarHBondContact O-N 2.97Å; D223-K225 WeakPolarHBondContact OD1-CB 3.23Å; D223-K225 WeakPolarHBondContact OD1-CG 3.03Å; D223-K225 PolarHBondContact OD1-N 3.29Å; D223-K225 VanDerWaalsContact OD1-N 3.1Å; K225-I227 VanDerWaalsContact C-N 3.35Å; K225-I227 PolarHBondContact O-N 3.5Å; K225-L228 CarbonylContact O-C 3.56Å; K225-L228 WeakPolarHBondContact O-CB 3.28Å; K225-L228 PolarHBondContact O-N 3.45Å; K225-F229 HydrophobicContact CB-CD2 4.22Å; K225-F229 HydrophobicContact CB-CE2 4.15Å; K225-F229 WeakPolarHBondContact O-CB 3.48Å; K225-F229 WeakPolarHBondContact O-CD2 3.17Å; K225-F229 WeakPolarHBondContact O-CG 3.25Å; K225-F229 PolarHBondContact O-N 2.83Å
226M71.4Confident71.7Confident117 Ų117109.4 Ų109.458%0.57656%0.561SS**Hα-helixtrans-60.5-42.7172.3-82.4-74-78.300111.9D223 L228 F229 V230D223-M226 HydrophobicContact CB-CB 3.91Å; D223-M226 HydrophobicContact CB-CG 3.85Å; D223-M226 WeakPolarHBondContact O-CA 3.45Å; D223-M226 WeakPolarHBondContact O-CB 3.26Å; D223-M226 PolarHBondContact O-N 3.32Å; M226-L228 VanDerWaalsContact C-N 3.35Å; M226-F229 PolarHBondContact O-N 3.48Å; M226-V230 WeakPolarHBondContact O-CB 3.38Å; M226-V230 VanDerWaalsContact O-CG2 3.25Å; M226-V230 WeakPolarHBondContact O-CG2 3.18Å; M226-V230 PolarHBondContact O-N 3.05Å
227I78.7Confident73.3Confident100 Ų100106.3 Ų106.351%0.51355%0.548SS..Hα-helixtrans-62.8-44.6174-62.4174.9000110.1D223 K225 F229 V230 V231D223-I227 PolarHBondContact O-N 2.92Å; K225-I227 VanDerWaalsContact C-N 3.35Å; K225-I227 PolarHBondContact O-N 3.5Å; I227-F229 PolarHBondContact O-N 3.21Å; I227-V230 PolarHBondContact O-N 2.72Å; I227-V231 HydrophobicContact CG2-CG2 4.36Å; I227-V231 WeakPolarHBondContact O-CB 3.45Å; I227-V231 VanDerWaalsContact O-CG2 3.27Å; I227-V231 WeakPolarHBondContact O-CG2 3.38Å; I227-V231 PolarHBondContact O-N 2.81Å
228L82Confident75.2Confident123 Ų123105.9 Ų105.964%0.64455%0.545SS*.Hα-helixtrans-61.7-40.9176.7-165.478.1000112.2T224 K225 M226 V231 F232T224-L228 VanDerWaalsContact O-CB 3.28Å; T224-L228 WeakPolarHBondContact O-CB 3.48Å; T224-L228 PolarHBondContact O-N 2.86Å; K225-L228 CarbonylContact O-C 3.56Å; K225-L228 WeakPolarHBondContact O-CB 3.28Å; K225-L228 PolarHBondContact O-N 3.45Å; M226-L228 VanDerWaalsContact C-N 3.35Å; L228-V231 PolarHBondContact O-N 3.35Å; L228-F232 WeakPolarHBondContact O-CB 3.36Å; L228-F232 PolarHBondContact O-N 2.74Å
229F83.6Confident77.4Confident138 Ų13898.2 Ų98.261%0.60552%0.521SS*.Hα-helixtrans-66.1-41.3176.9-83-63.4000111.7K225 M226 I227 F232 G233K225-F229 HydrophobicContact CB-CD2 4.22Å; K225-F229 HydrophobicContact CB-CE2 4.15Å; K225-F229 WeakPolarHBondContact O-CB 3.48Å; K225-F229 WeakPolarHBondContact O-CD2 3.17Å; K225-F229 WeakPolarHBondContact O-CG 3.25Å; K225-F229 PolarHBondContact O-N 2.83Å; M226-F229 PolarHBondContact O-N 3.48Å; I227-F229 PolarHBondContact O-N 3.21Å; F229-F232 PolarHBondContact O-N 2.92Å; F229-G233 PolarHBondContact O-N 3.49Å
230V87Confident79.3Confident85 Ų8599.6 Ų99.652%0.51552%0.523SS..Hα-helixtrans-65.4-46.1175.9171.50000110.5M226 I227 G233 I234M226-V230 WeakPolarHBondContact O-CB 3.38Å; M226-V230 VanDerWaalsContact O-CG2 3.25Å; M226-V230 WeakPolarHBondContact O-CG2 3.18Å; M226-V230 PolarHBondContact O-N 3.05Å; I227-V230 PolarHBondContact O-N 2.72Å; V230-G233 PolarHBondContact O-N 3.21Å; V230-I234 HydrophobicContact CG1-CD1 3.96Å; V230-I234 VanDerWaalsContact O-CG1 3.3Å; V230-I234 WeakPolarHBondContact O-CG1 3.22Å; V230-I234 PolarHBondContact O-N 3.44Å
231V90Very high81.5Confident76 Ų7695 Ų9546%0.46150%0.503SS..Hα-helixtrans-62.2-45.4176.6172.50000111I227 L228 G233 I234 C235I227-V231 HydrophobicContact CG2-CG2 4.36Å; I227-V231 WeakPolarHBondContact O-CB 3.45Å; I227-V231 VanDerWaalsContact O-CG2 3.27Å; I227-V231 WeakPolarHBondContact O-CG2 3.38Å; I227-V231 PolarHBondContact O-N 2.81Å; L228-V231 PolarHBondContact O-N 3.35Å; V231-G233 VanDerWaalsContact C-N 3.33Å; V231-G233 PolarHBondContact O-N 2.97Å; V231-I234 PolarHBondContact O-N 3.31Å; V231-C235 PolarHBondContact O-N 2.74Å; V231-C235 PolarHBondContact O-SG 3.48Å
232F90.8Very high83.3Confident132 Ų13292.5 Ų92.558%0.57950%0.499SS*.Hα-helixtrans-61.8-41176.9-173.8-109000112L228 F229 C235 I236L228-F232 WeakPolarHBondContact O-CB 3.36Å; L228-F232 PolarHBondContact O-N 2.74Å; F229-F232 PolarHBondContact O-N 2.92Å; F232-C235 PolarHBondContact O-N 3.38Å; F232-I236 HydrophobicContact CD1-CD1 3.65Å; F232-I236 HydrophobicContact CE1-CD1 3.28Å; F232-I236 HydrophobicContact CE1-CG1 4.28Å; F232-I236 HydrophobicContact CE2-CD1 4.46Å; F232-I236 HydrophobicContact CG-CD1 4.4Å; F232-I236 HydrophobicContact CZ-CD1 3.73Å; F232-I236 HydrophobicContact CZ-CG1 4.37Å; F232-I236 WeakPolarHBondContact O-CG1 3.31Å; F232-I236 PolarHBondContact O-N 3.06Å
233G91.3Very high85Confident31 Ų3192.5 Ų92.532%0.3249%0.493SS..Hα-helixtrans-59.7-45.2173.400000112.5F229 V230 V231 I236 V237F229-G233 PolarHBondContact O-N 3.49Å; V230-G233 PolarHBondContact O-N 3.21Å; V231-G233 VanDerWaalsContact C-N 3.33Å; V231-G233 PolarHBondContact O-N 2.97Å; G233-I236 PolarHBondContact O-N 3.33Å; G233-V237 WeakPolarHBondContact O-CG2 3.34Å; G233-V237 PolarHBondContact O-N 3.28Å
234I92.8Very high86.4Confident101 Ų10194.5 Ų94.552%0.51850%0.503SS..Hα-helixtrans-63.4-42.3176.3-65.9164.7000111V230 V231 I236 V237 T238V230-I234 HydrophobicContact CG1-CD1 3.96Å; V230-I234 VanDerWaalsContact O-CG1 3.3Å; V230-I234 WeakPolarHBondContact O-CG1 3.22Å; V230-I234 PolarHBondContact O-N 3.44Å; V231-I234 PolarHBondContact O-N 3.31Å; I234-I236 VanDerWaalsContact C-N 3.34Å; I234-I236 PolarHBondContact O-N 3.31Å; I234-V237 PolarHBondContact O-N 2.92Å; I234-T238 HydrophobicContact CG2-CG2 4.3Å; I234-T238 WeakPolarHBondContact O-CB 3.3Å; I234-T238 VanDerWaalsContact O-CG2 3.32Å; I234-T238 WeakPolarHBondContact O-CG2 3.27Å; I234-T238 PolarHBondContact O-N 2.91Å; I234-T238 PolarHBondContact O-OG1 3.38Å
235C91.6Very high87.6Confident73 Ų7395.8 Ų95.849%0.49351%0.506SS..Hα-helixtrans-61.6-40.2176.5-69.80000112.5V231 F232 T238 G239V231-C235 PolarHBondContact O-N 2.74Å; V231-C235 PolarHBondContact O-SG 3.48Å; F232-C235 PolarHBondContact O-N 3.38Å; C235-T238 WeakPolarHBondContact CA-OG1 3.47Å; C235-T238 PolarHBondContact O-OG1 2.72Å; C235-G239 PolarHBondContact O-N 2.94Å
236I93.1Very high88.5Confident70 Ų7093.7 Ų93.736%0.35950%0.501SS..Hα-helixtrans-64.3-50.3176.4-72.5172.4000110.6F232 G233 I234 T238 G239 F240F232-I236 HydrophobicContact CD1-CD1 3.65Å; F232-I236 HydrophobicContact CE1-CD1 3.28Å; F232-I236 HydrophobicContact CE1-CG1 4.28Å; F232-I236 HydrophobicContact CE2-CD1 4.46Å; F232-I236 HydrophobicContact CG-CD1 4.4Å; F232-I236 HydrophobicContact CZ-CD1 3.73Å; F232-I236 HydrophobicContact CZ-CG1 4.37Å; F232-I236 WeakPolarHBondContact O-CG1 3.31Å; F232-I236 PolarHBondContact O-N 3.06Å; G233-I236 PolarHBondContact O-N 3.33Å; I234-I236 VanDerWaalsContact C-N 3.34Å; I234-I236 PolarHBondContact O-N 3.31Å; I236-T238 PolarHBondContact O-N 3.48Å; I236-G239 PolarHBondContact O-N 3.35Å; I236-F240 HydrophobicContact CG2-CD2 3.54Å; I236-F240 HydrophobicContact CG2-CE2 3.45Å; I236-F240 VanDerWaalsContact CG2-CE2 3.45Å; I236-F240 VanDerWaalsContact O-CD2 3.22Å; I236-F240 WeakPolarHBondContact O-CD2 3.34Å; I236-F240 PolarHBondContact O-N 3.44Å
237V93.4Very high89.1Confident85 Ų8592.2 Ų92.252%0.51550%0.498SS..Hα-helixtrans-61.6-44.9-177.81730000111.1G233 I234 G239 F240 I241G233-V237 WeakPolarHBondContact O-CG2 3.34Å; G233-V237 PolarHBondContact O-N 3.28Å; I234-V237 PolarHBondContact O-N 2.92Å; V237-G239 PolarHBondContact O-N 3.21Å; V237-F240 PolarHBondContact O-N 3.45Å; V237-I241 HydrophobicContact CG1-CD1 3.94Å; V237-I241 VanDerWaalsContact O-CG1 3.31Å; V237-I241 WeakPolarHBondContact O-CG1 3.44Å; V237-I241 PolarHBondContact O-N 3.3Å
238T91.6Very high89.2Confident66 Ų6692.4 Ų92.441%0.40550%0.5SS..Hα-helixtrans-63-41.417650.50000112I234 C235 I236 F240 I241 I242I234-T238 HydrophobicContact CG2-CG2 4.3Å; I234-T238 WeakPolarHBondContact O-CB 3.3Å; I234-T238 VanDerWaalsContact O-CG2 3.32Å; I234-T238 WeakPolarHBondContact O-CG2 3.27Å; I234-T238 PolarHBondContact O-N 2.91Å; I234-T238 PolarHBondContact O-OG1 3.38Å; C235-T238 WeakPolarHBondContact CA-OG1 3.47Å; C235-T238 PolarHBondContact O-OG1 2.72Å; I236-T238 PolarHBondContact O-N 3.48Å; T238-F240 PolarHBondContact O-N 2.96Å; T238-I241 PolarHBondContact O-N 2.92Å; T238-I242 VanDerWaalsContact O-CG1 3.29Å; T238-I242 WeakPolarHBondContact O-CG1 3.5Å; T238-I242 PolarHBondContact O-N 2.79Å
239G92.7Very high89Confident31 Ų3195.2 Ų95.232%0.3250%0.502SS..Hα-helixtrans-58.4-44.9172.800000113C235 I236 V237 I242 M243C235-G239 PolarHBondContact O-N 2.94Å; I236-G239 PolarHBondContact O-N 3.35Å; V237-G239 PolarHBondContact O-N 3.21Å; G239-I242 PolarHBondContact O-N 2.96Å; G239-M243 WeakPolarHBondContact O-CB 3.21Å; G239-M243 WeakPolarHBondContact O-CG 3.37Å; G239-M243 PolarHBondContact O-N 3.5Å
240F91.1Very high88.8Confident137 Ų13796.4 Ų96.460%0.60151%0.507SS*.Hα-helixtrans-63.1-41.7175.8-85.3-70.6000112.7I236 V237 T238 M243 L244I236-F240 HydrophobicContact CG2-CD2 3.54Å; I236-F240 HydrophobicContact CG2-CE2 3.45Å; I236-F240 VanDerWaalsContact CG2-CE2 3.45Å; I236-F240 VanDerWaalsContact O-CD2 3.22Å; I236-F240 WeakPolarHBondContact O-CD2 3.34Å; I236-F240 PolarHBondContact O-N 3.44Å; V237-F240 PolarHBondContact O-N 3.45Å; T238-F240 PolarHBondContact O-N 2.96Å; F240-M243 PolarHBondContact O-N 2.95Å; F240-L244 WeakPolarHBondContact O-CB 3.4Å; F240-L244 PolarHBondContact O-N 3.2Å
241I91.8Very high87.7Confident90 Ų90101 Ų10146%0.46252%0.515SS..Hα-helixtrans-62.2-45176.4-67.7166.4000110.5V237 T238 L244 L245V237-I241 HydrophobicContact CG1-CD1 3.94Å; V237-I241 VanDerWaalsContact O-CG1 3.31Å; V237-I241 WeakPolarHBondContact O-CG1 3.44Å; V237-I241 PolarHBondContact O-N 3.3Å; T238-I241 PolarHBondContact O-N 2.92Å; I241-L244 PolarHBondContact O-N 2.94Å; I241-L245 HydrophobicContact CG2-CD1 4.13Å; I241-L245 HydrophobicContact CG2-CG 4.5Å; I241-L245 VanDerWaalsContact O-CG 3.3Å; I241-L245 WeakPolarHBondContact O-CG 3.32Å; I241-L245 PolarHBondContact O-N 3.34Å
242I91.4Very high86.2Confident99 Ų99107.6 Ų107.651%0.50853%0.531SS..Hα-helixtrans-62.7-45.2177.9-67.1164.6000110.5T238 G239 L244 L245 L246T238-I242 VanDerWaalsContact O-CG1 3.29Å; T238-I242 WeakPolarHBondContact O-CG1 3.5Å; T238-I242 PolarHBondContact O-N 2.79Å; G239-I242 PolarHBondContact O-N 2.96Å; I242-L244 PolarHBondContact O-N 3.31Å; I242-L245 PolarHBondContact O-N 2.92Å; I242-L246 HydrophobicContact CG2-CD1 4.12Å; I242-L246 HydrophobicContact CG2-CG 4.4Å; I242-L246 WeakPolarHBondContact O-CG 3.29Å; I242-L246 PolarHBondContact O-N 2.95Å
243M88.9Confident84.6Confident115 Ų115108.2 Ų108.257%0.56754%0.541SS*.Hα-helixtrans-61-42.7177-75.2-60.4-65.100112.4G239 F240 L246 V247G239-M243 WeakPolarHBondContact O-CB 3.21Å; G239-M243 WeakPolarHBondContact O-CG 3.37Å; G239-M243 PolarHBondContact O-N 3.5Å; F240-M243 PolarHBondContact O-N 2.95Å; M243-L246 PolarHBondContact O-N 3.47Å; M243-L246 HydrophobicContact SD-CD1 4.32Å; M243-V247 WeakPolarHBondContact O-CG2 3.41Å; M243-V247 PolarHBondContact O-N 2.88Å
244L89.2Confident82.9Confident109 Ų109110.6 Ų110.657%0.57155%0.553SS**Hα-helixtrans-60.2-44.7173.5-85.5158.8000111.7F240 I241 I242 L246 V247 L248F240-L244 WeakPolarHBondContact O-CB 3.4Å; F240-L244 PolarHBondContact O-N 3.2Å; I241-L244 PolarHBondContact O-N 2.94Å; I242-L244 PolarHBondContact O-N 3.31Å; L244-L246 VanDerWaalsContact C-N 3.33Å; L244-L246 PolarHBondContact O-N 3.44Å; L244-V247 PolarHBondContact O-N 3.45Å; L244-L248 WeakPolarHBondContact O-CB 3.44Å; L244-L248 WeakPolarHBondContact O-CG 3.3Å; L244-L248 PolarHBondContact O-N 3.37Å
245L88.3Confident80.6Confident100 Ų100112.8 Ų112.852%0.52457%0.565SS.*Hα-helixtrans-62.7-38.3176.5-70.4173.1000112.4I241 I242 L248 R249I241-L245 HydrophobicContact CG2-CD1 4.13Å; I241-L245 HydrophobicContact CG2-CG 4.5Å; I241-L245 VanDerWaalsContact O-CG 3.3Å; I241-L245 WeakPolarHBondContact O-CG 3.32Å; I241-L245 PolarHBondContact O-N 3.34Å; I242-L245 PolarHBondContact O-N 2.92Å; L245-L248 PolarHBondContact O-N 2.96Å; L245-R249 WeakPolarHBondContact O-CB 3.42Å; L245-R249 WeakPolarHBondContact O-CG 3.32Å; L245-R249 PolarHBondContact O-N 3.29Å
246L87.2Confident78.3Confident90 Ų90114.8 Ų114.847%0.47158%0.577SS.*Hα-helixtrans-67.4-41176-69.3174.9000112I242 M243 L244 R249 K250I242-L246 HydrophobicContact CG2-CD1 4.12Å; I242-L246 HydrophobicContact CG2-CG 4.4Å; I242-L246 WeakPolarHBondContact O-CG 3.29Å; I242-L246 PolarHBondContact O-N 2.95Å; M243-L246 PolarHBondContact O-N 3.47Å; M243-L246 HydrophobicContact SD-CD1 4.32Å; L244-L246 VanDerWaalsContact C-N 3.33Å; L244-L246 PolarHBondContact O-N 3.44Å; L246-R249 PolarHBondContact O-N 3.28Å; L246-K250 WeakPolarHBondContact O-CB 3.47Å; L246-K250 PolarHBondContact O-N 2.99Å
247V85.1Confident75.9Confident85 Ų85119.1 Ų119.152%0.51560%0.6SS.*Hα-helixtrans-65.6-42.2175172.30000110.8M243 L244 K250 R251M243-V247 WeakPolarHBondContact O-CG2 3.41Å; M243-V247 PolarHBondContact O-N 2.88Å; L244-V247 PolarHBondContact O-N 3.45Å; V247-K250 PolarHBondContact O-N 2.9Å; V247-R251 WeakPolarHBondContact O-CB 3.33Å; V247-R251 PolarHBondContact O-N 3.19Å
248L81.2Confident73.1Confident104 Ų104120.2 Ų120.255%0.54561%0.611SS.*Hα-helixtrans-65.1-37.4176.2-70.4170.6000112.1L244 L245 R251 R252L244-L248 WeakPolarHBondContact O-CB 3.44Å; L244-L248 WeakPolarHBondContact O-CG 3.3Å; L244-L248 PolarHBondContact O-N 3.37Å; L245-L248 PolarHBondContact O-N 2.96Å; L248-R251 PolarHBondContact O-N 3.26Å; L248-R252 PolarHBondContact O-N 2.89Å; L248-R252 VanDerWaalsContact O-N 3.13Å
249R78Confident70.5Confident182 Ų182123.1 Ų123.169%0.68763%0.629SS**Hα-helixtrans-63-49.5171.3-82.5-176.4167.5177.3-2.8111.5L245 L246 R251 R252 D253L245-R249 WeakPolarHBondContact O-CB 3.42Å; L245-R249 WeakPolarHBondContact O-CG 3.32Å; L245-R249 PolarHBondContact O-N 3.29Å; L246-R249 PolarHBondContact O-N 3.28Å; R249-R251 PolarHBondContact O-N 3.46Å; R249-R252 WeakPolarHBondContact O-CA 3.34Å; R249-R252 WeakPolarHBondContact O-CB 3.45Å; R249-R252 PolarHBondContact O-N 3.34Å; R249-D253 PolarHBondContact O-N 2.93Å; R249-D253 VanDerWaalsContact O-N 3.11Å
250K78.2Confident67.7Low163 Ų163129.9 Ų129.971%0.70965%0.652SS**Hα-helixtrans-60.3-33.2177.3-172.9173.6-179177.10113L246 V247 R252 S254L246-K250 WeakPolarHBondContact O-CB 3.47Å; L246-K250 PolarHBondContact O-N 2.99Å; V247-K250 PolarHBondContact O-N 2.9Å; K250-R252 VanDerWaalsContact C-N 3.34Å; K250-S254 PolarHBondContact O-OG 2.91Å
251R65.1Low64.8Low183 Ų183133.7 Ų133.769%0.69166%0.663SS**Hα-helixtrans-74.1-24.7175.3-146.1-175.3-162.9-165.15.5112.9V247 L248 R249 S254V247-R251 WeakPolarHBondContact O-CB 3.33Å; V247-R251 PolarHBondContact O-N 3.19Å; L248-R251 PolarHBondContact O-N 3.26Å; R249-R251 PolarHBondContact O-N 3.46Å; R251-S254 WeakPolarHBondContact CA-OG 3.43Å; R251-S254 PolarHBondContact O-OG 3.04Å
252R57.5Low62Low213 Ų213135.5 Ų135.580%0.80468%0.678SS**Hα-helixtrans-77.5-32.6175.1-146.6173.1-150.2151.74.9111.9L248 R249 K250 S254L248-R252 PolarHBondContact O-N 2.89Å; L248-R252 VanDerWaalsContact O-N 3.13Å; R249-R252 WeakPolarHBondContact O-CA 3.34Å; R249-R252 WeakPolarHBondContact O-CB 3.45Å; R249-R252 PolarHBondContact O-N 3.34Å; K250-R252 VanDerWaalsContact C-N 3.34Å; R252-S254 PolarHBondContact O-N 3.39Å
253D58Low59.1Low145 Ų145139 Ų13978%0.77569%0.692SS**THydrogen-bonded Turntrans-75.7-5.1174.8-59.8-28.2000113.3R249R249-D253 PolarHBondContact O-N 2.93Å; R249-D253 VanDerWaalsContact O-N 3.11Å
254S54.4Low56.3Low81 Ų81137 Ų13757%0.56670%0.702SS**THydrogen-bonded Turntrans-114.111.1-178.5430000114.8K250 R251 R252K250-S254 PolarHBondContact O-OG 2.91Å; R251-S254 WeakPolarHBondContact CA-OG 3.43Å; R251-S254 PolarHBondContact O-OG 3.04Å; R252-S254 PolarHBondContact O-N 3.39Å
255L44.3Very low53.9Low147 Ų147138.5 Ų138.577%0.7772%0.718SS**  trans-104115.5172.2-126.495.8000111.2
256P44.3Very low51.2Low116 Ų116138.2 Ų138.275%0.75373%0.73SS**  trans-89.8131.216831.9-26.6000112.3
257L42.3Very low48.4Very low160 Ų160143.3 Ų143.384%0.83875%0.751SS**  trans78.8122.2141-144.868.9000121.1
258S34.6Very low45.8Very low109 Ų109144.3 Ų144.376%0.76276%0.762SS**  -168.3109.7106.4-164.80000112.3
259T37.2Very low43.5Very low126 Ų126144.1 Ų144.177%0.77378%0.776SS**  trans-84.6111.6166.6-52.30000107.7
260Q33Very low41.1Very low173 Ų173139 Ų13981%0.80878%0.779SS**  trans-105103.6164.9-164.1168-4.700109.2
261R31.5Very low38.8Very low217 Ų217138.9 Ų138.982%0.81979%0.786SS**  trans-84.9118.2170.7-174.2-178.7-172.1117.7-1107.7
262T32.3Very low37.5Very low128 Ų128137.7 Ų137.779%0.78579%0.792SS**  trans-121.5139.2162.3-430000107.8
263Q31.1Very low36.2Very low173 Ų173134.7 Ų134.781%0.80879%0.787SS**  trans-113.6127.2-156.5-174.9171.6-15.100111.6
264G29.1Very low34.7Very low74 Ų74136.6 Ų136.676%0.76378%0.784SS**  trans86.1160.5148.500000119.4
265P40.3Very low33.4Very low139 Ų139138.9 Ų138.990%0.90379%0.789SS**  cis-128.1176.67.837.8-18.9000116
266A31.5Very low32.7Very low95 Ų95136.6 Ų136.679%0.78579%0.785SS**  trans-90.2157.9-172.500000114.6
267E27.5Very low31.9Very low197 Ų197137.2 Ų137.292%0.92179%0.787SS**  trans179.8148.2151-101.4175.7-168.700106.1
268S30.3Very low31.2Very low106 Ų106134.6 Ų134.674%0.74178%0.782SS**  cis-170148.8-12.8-179.90000105.6
269A32.3Very low31.5Very low100 Ų100134.9 Ų134.983%0.82678%0.781SS**  trans12.9141.6157.800000121.8
270G29.5Very low31.2Very low73 Ų73134.8 Ų134.875%0.75378%0.78SS**  trans169.8102153.800000115.4
271N28.2Very low31Very low162 Ų162133.5 Ų133.587%0.86678%0.779SS**  trans-68.5162.8-174.7-61.4-37.5000116
272I38Very low31Very low158 Ų158129.8 Ų129.881%0.8178%0.775SS**  trans-33.6137.5155.2-61.9157.2000113.2
273E29.8Very low31.1Very low150 Ų150129.9 Ų129.970%0.70178%0.776SS**  170.4130111.2-153.9167.7-176.500115
274Y27.2Very low31.2Very low184 Ų184126.2 Ų126.272%0.72277%0.765SS**  trans75122.3141.5-84.5-141.1000126.4
275I27.6Very low31.3Very low129 Ų129132.9 Ų132.966%0.66277%0.768SS**  90.7118.4124.3-74-174.9000122
276S28.5Very low30.8Very low99 Ų99131.4 Ų131.469%0.69277%0.768SS**  trans54.8139.2143790000120
277V27.4Very low30.9Very low130 Ų130131.8 Ų131.879%0.78877%0.765SS**  -168.5148.366.9164.20000109.9
278S29.2Very low31.2Very low104 Ų104129.2 Ų129.273%0.72776%0.762SS**  trans-11.5153.3164.6-145.30000122.2
279P39.1Very low31.2Very low115 Ų115129.9 Ų129.975%0.74776%0.762SS**  trans-109.1132.3170.236.4-23.8000113.3
280V31.6Very low31.2Very low125 Ų125134.2 Ų134.276%0.75877%0.765SS**  trans-159.7120.2149.8-178.80000110.2
281N28.9Very low31.2Very low145 Ų145136.5 Ų136.578%0.77577%0.769SS**  168.6107.7121.252.412.6000114.7
282N32.3Very low31.4Very low139 Ų139135.1 Ų135.174%0.74376%0.762SS**  trans35.3133.7131.7-57.7-6.3000122
283T33.8Very low31.1Very low130 Ų130138.6 Ų138.680%0.79877%0.765SS**  -176.7114100.931.80000110.4
284V34.2Very low31.2Very low96 Ų96139.1 Ų139.158%0.58277%0.767SS**  51.1136.794.6-122.60000116.3
285Y30.5Very low31.3Very low214 Ų214136.8 Ų136.884%0.83977%0.772SS**  cis-154.2160.422.7-67.9-95.2000112.8
286A29.2Very low31.4Very low108 Ų108139.9 Ų139.989%0.89378%0.784SS**  -162.4134.612300000111
287S34.8Very low31.9Very low103 Ų103142.4 Ų142.472%0.7279%0.788SS**  trans-101.2147.5-16852.40000113.8
288V33.1Very low31.8Very low143 Ų143142 Ų14287%0.86779%0.791SS**  trans-143.2129.8143-175.50000109.7
289T30.5Very low31.8Very low120 Ų120143.2 Ų143.274%0.73680%0.795SS**  trans-87.5136.4-172.6-33.70000111.6
290H31.4Very low32.1Very low192 Ų192143.3 Ų143.389%0.88980%0.795SS**  trans-140.1137.4146-97.5-79.6000110.6
291S29.7Very low32Very low120 Ų120145 Ų14584%0.83980%0.798SS**  trans-69.1140.6-168.8-174.10000113.4
292N32.6Very low32Very low134 Ų134147.2 Ų147.272%0.71780%0.801SS**  trans-83.6148.8-176.5-165.7-2.9000111.8E294N292-E294 PolarHBondContact OD1-N 3.33Å
293R31.1Very low32.4Very low230 Ų230148.6 Ų148.687%0.86881%0.808SS**  trans-161.6100.2133-155.4165.1-177.3170.3-1.8113.1
294E32.9Very low32.2Very low162 Ų162146.7 Ų146.776%0.75781%0.805SS**  trans27.6121.8142.2-78171.2156.500122N292N292-E294 PolarHBondContact OD1-N 3.33Å
295T29.4Very low32.8Very low134 Ų134149 Ų14982%0.82282%0.82SS**  trans-85.4131.7158.6-410000109.8
296E29.9Very low32.9Very low194 Ų194145.2 Ų145.291%0.90782%0.819SS**  trans-107140.9156.6-100.7-172.1167.900110.2
297I37.4Very low33.2Very low152 Ų152146.2 Ų146.278%0.77981%0.814SS**  trans-83.4143.4-172-65.3164.6000110.5
298S27.2Very low33.4Very low122 Ų122148.9 Ų148.985%0.85382%0.819SS**  trans-153.3136149.9-75.10000112
299T28.3Very low33.5Very low130 Ų130152.5 Ų152.580%0.79882%0.818SS**  trans-70.8170.6-171.940.20000115.8
300P44.4Very low33.8Very low117 Ų117152.2 Ų152.276%0.7682%0.821SS**  trans-97.9134.5-157.535.8-28.9000113.8
301I29.7Very low34Very low160 Ų160149.5 Ų149.582%0.82182%0.818SS**  trans-144.5119.6164-64.3-174.5000112
302K29.3Very low34.6Very low192 Ų192149.7 Ų149.784%0.83581%0.814SS**  trans47119147.3-67.7176.4175.3177.20121.6
303N41.2Very low34.8Very low168 Ų168149.6 Ų149.690%0.89881%0.814SS**  trans-5.6120.2140.3-61-6.1000116.9
304A30.1Very low34.9Very low89 Ų89148.2 Ų148.274%0.73682%0.817SS**  trans-150.5121.4142.100000109.6
305T46.3Very low34.9Very low146 Ų146145.4 Ų145.490%0.89682%0.815SS**  trans-55.5127.4165.841.90000110.9
306V33.3Very low35.2Very low133 Ų133149 Ų14981%0.80682%0.819SS**  trans-131.9114.3167.5-1790000109.8
307T34.8Very low35.4Very low129 Ų129148.7 Ų148.779%0.79182%0.817SS**  trans-62.9143.4171.430.10000112.7Y309T307-Y309 PolarHBondContact O-N 3.11Å
308I38.3Very low35.3Very low159 Ų159146.6 Ų146.682%0.81582%0.816SS**SBendtrans-75.886.2178.3-57.2168.3000109.3
309Y35.7Very low35.7Very low220 Ų220149.8 Ų149.886%0.86382%0.815SS**  trans-156.4107.7150.6-76.6-68.2000109.3T307T307-Y309 PolarHBondContact O-N 3.11Å
310S36.3Very low36.1Very low114 Ų114149.3 Ų149.380%0.79781%0.814SS**  trans143.2122.4165.354.20000107
311T35.3Very low35.6Very low134 Ų134150.4 Ų150.482%0.82282%0.819SS**  -162.813354.5-52.10000109.3
312V44.2Very low35.7Very low124 Ų124152.3 Ų152.375%0.75282%0.822SS**  trans-73.4152.8167.6169.80000109.5
313N36.3Very low36Very low133 Ų133148.5 Ų148.571%0.71182%0.819SS**  trans84.794.2172.4-79-5.5000118.5
314H32.8Very low35.6Very low201 Ų201151.8 Ų151.893%0.93182%0.819SS**  trans-134.388.7130.6-92.2-76000109.1
315S33.7Very low35.9Very low103 Ų103152.1 Ų152.172%0.7282%0.822SS**  trans-72.4126.2164.256.20000109.3E317S315-E317 PolarHBondContact O-N 2.96Å
316K35.6Very low35.5Very low208 Ų208151.1 Ų151.190%0.90482%0.815SS**  trans-63.1117.1167.2-78.1173.8174.6173.80109.5S318K316-S318 PolarHBondContact O-N 3.13Å
317E32.6Very low35.6Very low188 Ų188149.3 Ų149.388%0.87982%0.815SS**  trans-81.9106.6164.3-170174.3-177.900108.5S315S315-E317 PolarHBondContact O-N 2.96Å
318S36.3Very low35.9Very low108 Ų108150 Ų15076%0.75581%0.813SS**  trans-91.2113168.955.50000109.6K316K316-S318 PolarHBondContact O-N 3.13Å
319K34.9Very low36Very low190 Ų190149.5 Ų149.583%0.82681%0.812SS**  trans-58.6137.9167.8-105.1176176174.50111.1
320P37.1Very low36.3Very low120 Ų120145.5 Ų145.578%0.77981%0.805SS**  trans-80.8129166.730-28.6000110.7
321T33.3Very low36.6Very low140 Ų140146.3 Ų146.386%0.85981%0.805SS**  trans-79.2114168.7-48.40000108.7
322F33.6Very low37.2Very low200 Ų200149.9 Ų149.988%0.87783%0.826SS**  trans-80.9121174.1-134.7-91000109.4R324F322-R324 PolarHBondContact O-N 2.9Å
323S34.5Very low36.8Very low112 Ų112151.2 Ų151.278%0.78383%0.83SS**  trans-75.5115.1170.148.60000110
324R33.4Very low36.8Very low236 Ų236152.2 Ų152.289%0.89184%0.836SS**  trans-80.4117.3173.2-170.6176.8-166.6156.82.6109.2F322F322-R324 PolarHBondContact O-N 2.9Å
325A36.6Very low37.1Very low97 Ų97149.4 Ų149.480%0.80283%0.831SS**  trans-73.5127.8166.700000109.6
326T36.4Very low37.3Very low124 Ų124152.2 Ų152.276%0.76184%0.838SS**  trans-93.8112.4170.8-430000107.7
327A36.3Very low37.4Very low96 Ų96148.7 Ų148.779%0.79383%0.834SS**  trans-72.7122.9162.600000108
328L40.7Very low37.7Very low142 Ų142146.1 Ų146.174%0.74383%0.831SS**  trans-105103.4166.3-150.894.5000107
329D40.3Very low37.8Very low149 Ų149148.8 Ų148.880%0.79784%0.836SS**  trans-88.4119.7166.4-150.83.7000105.9
330N42.9Very low38Very low137 Ų137145.6 Ų145.673%0.73384%0.837SS**  trans-127.9103.1171.8-92.6-11.9000108.8
331V41.8Very low38.1Very low130 Ų130147.8 Ų147.879%0.78884%0.842SS**  trans-73.9116.6155.5171.70000107.8
332V47.4Very low38.5Very low210 Ų210148.5 Ų148.5100%1.27384%0.84SS**  -162.30124.7175.40000106.8

Retrieved 332 of 332 residues in 107 ms (Link to these results)