A0A096NB22_PAPAN Loading...

Homeobox protein Nkx-2.5

AlphaFold DB (G7MU00), UniProt , Accession A0A096NB22, Species PAPAN (Papio anubis, Olive baboon), Gene NKX2-5, Length 324 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M45.4Very low53.4Low241 Ų241141.3 Ų141.3100%1.18784%0.836SS**  0117.60-73.1159.3162.800107.6
2F44.6Very low54.1Low208 Ų208142.1 Ų142.191%0.91282%0.821SS**  trans-110.1134.3170.4-76.6-79000108.3
3P54.5Low56Low124 Ų124135.2 Ų135.281%0.80579%0.787SS**PPolyproline II helixtrans-73.9132.9177.329.7-32.8000110.6
4S45.5Very low57.4Low111 Ų111133.1 Ų133.178%0.77678%0.776SS**PPolyproline II helixtrans-63.7141.9175.5-57.80000111.5
5P52.9Low58.6Low125 Ų125135.4 Ų135.481%0.81277%0.773SS**PPolyproline II helixtrans-66.1136.3173.527.9-33.7000110.6
6A49.3Very low59.9Low95 Ų95132 Ų13279%0.78575%0.752SS**PPolyproline II helixtrans-61.6145.2-177.500000112.4T8A6-T8 PolarHBondContact O-N 3.19Å; A6-T8 VanDerWaalsContact O-N 3.13Å
7L53.2Low61.1Low172 Ų172130.2 Ų130.290%0.90174%0.738SS**  trans-59.2113.3173.5-71.2159.6000110P9L7-P9 WeakPolarHBondContact O-CD 3.5Å
8T54.2Low62.1Low127 Ų127128.8 Ų128.878%0.77973%0.728SS**PPolyproline II helixtrans-61.8120.9166.251.40000108.7A6 T10A6-T8 PolarHBondContact O-N 3.19Å; A6-T8 VanDerWaalsContact O-N 3.13Å; T8-T10 PolarHBondContact O-N 2.92Å
9P56.3Low63.1Low119 Ų119127.6 Ų127.677%0.77372%0.719SS**PPolyproline II helixtrans-64.8124.3-178.525.2-32.8000110L7L7-P9 WeakPolarHBondContact O-CD 3.5Å
10T61.8Low63.9Low117 Ų117126.1 Ų126.172%0.71871%0.709SS**PPolyproline II helixtrans-61.5123.1169.647.80000108.3T8 F12T8-T10 PolarHBondContact O-N 2.92Å; T10-F12 PolarHBondContact O-N 3.1Å
11P69.4Low64.7Low115 Ų115124.3 Ų124.375%0.74770%0.695SS**SBendtrans-70.8-1.9-162.825.9-35.6000115.7
12F62.1Low66.5Low151 Ų151118.3 Ų118.366%0.66266%0.664SS**SBendtrans-141.1126.9172.4-71-82.2000109.8T10 D16T10-F12 PolarHBondContact O-N 3.1Å; F12-D16 HydrophobicContact CD1-CB 4.46Å
13S78.4Confident68.2Low53 Ų53113.6 Ų113.637%0.37165%0.645SS.*  trans-76.4152.2169.1-1740000110.3K15 D16 I17S13-K15 PolarHBondContact O-N 3.27Å; S13-K15 VanDerWaalsContact O-N 3.17Å; S13-K15 PolarHBondContact OG-N 3.07Å; S13-D16 WeakPolarHBondContact CA-OD2 3.07Å; S13-D16 WeakPolarHBondContact CB-OD2 3.38Å; S13-D16 PolarHBondContact N-OD2 3.25Å; S13-D16 WeakPolarHBondContact O-CB 3.47Å; S13-D16 PolarHBondContact O-N 3.48Å; S13-I17 PolarHBondContact O-N 3.03Å
14V76.2Confident69.3Low106 Ų106113.6 Ų113.664%0.64263%0.634SS**Hα-helixtrans-56.8-30.3169.3179.30000110.9I17 L18V14-I17 PolarHBondContact O-N 3.03Å; V14-L18 HydrophobicContact CG1-CD1 4.16Å; V14-L18 WeakPolarHBondContact O-CG 3.37Å; V14-L18 PolarHBondContact O-N 2.96Å; V14-L18 VanDerWaalsContact O-N 3.13Å
15K75.6Confident70.8Confident167 Ų167115.1 Ų115.173%0.72662%0.623SS**Hα-helixtrans-63.3-39.2173.6-66.1-176177.1-177.20112.5S13 L18 N19S13-K15 PolarHBondContact O-N 3.27Å; S13-K15 VanDerWaalsContact O-N 3.17Å; S13-K15 PolarHBondContact OG-N 3.07Å; K15-L18 PolarHBondContact O-N 3.25Å; K15-N19 VanDerWaalsContact O-CB 3.27Å; K15-N19 WeakPolarHBondContact O-CB 3.41Å; K15-N19 PolarHBondContact O-N 2.89Å
16D78.9Confident71.7Confident81 Ų81112.3 Ų112.343%0.43361%0.606SS.*Hα-helixtrans-69.5-39.1-179.3-50.8-36.5000110.8F12 S13 N19 L20F12-D16 HydrophobicContact CD1-CB 4.46Å; S13-D16 WeakPolarHBondContact CA-OD2 3.07Å; S13-D16 WeakPolarHBondContact CB-OD2 3.38Å; S13-D16 PolarHBondContact N-OD2 3.25Å; S13-D16 WeakPolarHBondContact O-CB 3.47Å; S13-D16 PolarHBondContact O-N 3.48Å; D16-N19 PolarHBondContact O-N 3.3Å; D16-L20 VanDerWaalsContact O-CB 3.28Å; D16-L20 WeakPolarHBondContact O-CB 3.46Å; D16-L20 PolarHBondContact O-N 3.44Å
17I80.1Confident72.7Confident102 Ų102113.2 Ų113.252%0.52360%0.597SS.*Hα-helixtrans-63-47.2176.7-60.1171.3000110.6S13 V14 L20 E21S13-I17 PolarHBondContact O-N 3.03Å; V14-I17 PolarHBondContact O-N 3.03Å; I17-L20 PolarHBondContact O-N 3.35Å; I17-E21 PolarHBondContact O-N 2.99Å
18L80.1Confident73.5Confident105 Ų105108.1 Ų108.155%0.5558%0.579SS.*Hα-helixtrans-66.8-38.5178.3-68.7172.3000112.2V14 K15 E21 Q22V14-L18 HydrophobicContact CG1-CD1 4.16Å; V14-L18 WeakPolarHBondContact O-CG 3.37Å; V14-L18 PolarHBondContact O-N 2.96Å; V14-L18 VanDerWaalsContact O-N 3.13Å; K15-L18 PolarHBondContact O-N 3.25Å; L18-E21 PolarHBondContact O-N 3.18Å; L18-Q22 WeakPolarHBondContact O-CB 3.5Å; L18-Q22 PolarHBondContact O-N 2.85Å
19N80.8Confident74.2Confident106 Ų106104.4 Ų104.457%0.56756%0.562SS**Hα-helixtrans-67.7-38.4176.9-161.516.3000111.6K15 D16 Q22 Q23K15-N19 VanDerWaalsContact O-CB 3.27Å; K15-N19 WeakPolarHBondContact O-CB 3.41Å; K15-N19 PolarHBondContact O-N 2.89Å; D16-N19 PolarHBondContact O-N 3.3Å; N19-Q22 PolarHBondContact O-N 3.04Å; N19-Q23 WeakPolarHBondContact O-CB 3.39Å; N19-Q23 PolarHBondContact O-N 3.23Å
20L79.6Confident74.8Confident96 Ų96101.2 Ų101.250%0.50355%0.545SS..Hα-helixtrans-66.3-37.3175.3-166.768.9000112.1D16 I17 Q23 Q24D16-L20 VanDerWaalsContact O-CB 3.28Å; D16-L20 WeakPolarHBondContact O-CB 3.46Å; D16-L20 PolarHBondContact O-N 3.44Å; I17-L20 PolarHBondContact O-N 3.35Å; L20-Q23 PolarHBondContact O-N 2.53Å; L20-Q24 VanDerWaalsContact O-CG 3.31Å; L20-Q24 WeakPolarHBondContact O-CG 3.37Å; L20-Q24 PolarHBondContact O-N 3.17Å
21E79.1Confident75Confident89 Ų8997.6 Ų97.642%0.41653%0.532SS..Hα-helixtrans-65.9-41.3171.7-171178.8103.600111.7I17 L18 Q23 Q24 R25I17-E21 PolarHBondContact O-N 2.99Å; L18-E21 PolarHBondContact O-N 3.18Å; E21-Q23 PolarHBondContact O-N 2.78Å; E21-Q24 PolarHBondContact O-N 3.38Å; E21-R25 PolarHBondContact O-N 2.99Å; E21-R25 IonicContact OE1-CZ 3.09Å; E21-R25 IonicContact OE1-NH1 2.7Å; E21-R25 PolarHBondContact OE1-NH1 3.25Å; E21-R25 IonicContact OE1-NH2 3.92Å; E21-R25 PolarHBondContact OE1-NH2 3.33Å
22Q84.7Confident74.5Confident115 Ų11598.9 Ų98.954%0.53753%0.528SS..Hα-helixtrans-63.3-40.1176-17064.916.400112.1L18 N19 R25 S26L18-Q22 WeakPolarHBondContact O-CB 3.5Å; L18-Q22 PolarHBondContact O-N 2.85Å; N19-Q22 PolarHBondContact O-N 3.04Å; Q22-R25 PolarHBondContact O-N 3.05Å; Q22-S26 PolarHBondContact O-N 3.06Å
23Q79.6Confident74.4Confident110 Ų11097.4 Ų97.451%0.51453%0.526SS..Hα-helixtrans-68.8-34.1176-170.9177.2-0.500112.5N19 L20 E21 S26 L27N19-Q23 WeakPolarHBondContact O-CB 3.39Å; N19-Q23 PolarHBondContact O-N 3.23Å; L20-Q23 PolarHBondContact O-N 2.53Å; E21-Q23 PolarHBondContact O-N 2.78Å; Q23-S26 PolarHBondContact O-OG 2.93Å; Q23-L27 WeakPolarHBondContact O-CG 3.47Å; Q23-L27 PolarHBondContact O-N 3.18Å; Q23-L27 VanDerWaalsContact O-N 3.13Å
24Q78Confident73.4Confident124 Ų12498.1 Ų98.158%0.57953%0.531SS*.Hα-helixtrans-68.6-37.8171.5-73.3174.229.600111.8L20 E21 A28L20-Q24 VanDerWaalsContact O-CG 3.31Å; L20-Q24 WeakPolarHBondContact O-CG 3.37Å; L20-Q24 PolarHBondContact O-N 3.17Å; E21-Q24 PolarHBondContact O-N 3.38Å; Q24-A28 WeakPolarHBondContact O-CB 3.45Å; Q24-A28 PolarHBondContact O-N 3.49Å
25R75.8Confident72.5Confident143 Ų14396.1 Ų96.154%0.5453%0.526SS..Hα-helixtrans-65.4-40.7173.5-75.2-170.3-179.6107.512.5112.9E21 Q22 A28 A29E21-R25 PolarHBondContact O-N 2.99Å; E21-R25 IonicContact OE1-CZ 3.09Å; E21-R25 IonicContact OE1-NH1 2.7Å; E21-R25 PolarHBondContact OE1-NH1 3.25Å; E21-R25 IonicContact OE1-NH2 3.92Å; E21-R25 PolarHBondContact OE1-NH2 3.33Å; Q22-R25 PolarHBondContact O-N 3.05Å; R25-A28 PolarHBondContact O-N 3.4Å; R25-A29 PolarHBondContact O-N 3.25Å
26S73.5Confident71.6Confident66 Ų6697.2 Ų97.246%0.46253%0.525SS..Hα-helixtrans-68.3-39178.464.10000112.4Q22 Q23 A29 A30Q22-S26 PolarHBondContact O-N 3.06Å; Q23-S26 PolarHBondContact O-OG 2.93Å; S26-A29 PolarHBondContact O-N 3.43Å; S26-A30 WeakPolarHBondContact O-CB 3.09Å; S26-A30 PolarHBondContact O-N 3.46Å
27L69.9Low70.6Confident114 Ų11499 Ų9960%0.59753%0.534SS*.Hα-helixtrans-65.8-37.7172.8-74.9168.6000112.5Q23 A30 G31Q23-L27 WeakPolarHBondContact O-CG 3.47Å; Q23-L27 PolarHBondContact O-N 3.18Å; Q23-L27 VanDerWaalsContact O-N 3.13Å; L27-A30 PolarHBondContact O-N 3.13Å; L27-G31 PolarHBondContact O-N 3.05Å
28A69.5Low69.4Low64 Ų64101 Ų10153%0.52954%0.541SS..Hα-helixtrans-62.8-46.9173.800000111.7Q24 R25 A30 G31 E32Q24-A28 WeakPolarHBondContact O-CB 3.45Å; Q24-A28 PolarHBondContact O-N 3.49Å; R25-A28 PolarHBondContact O-N 3.4Å; A28-A30 PolarHBondContact O-N 2.88Å; A28-G31 PolarHBondContact O-N 3.38Å; A28-E32 PolarHBondContact O-N 2.87Å
29A69.4Low68.2Low49 Ų4999.7 Ų99.741%0.40555%0.545SS..Hα-helixtrans-64.2-38.2177.100000112.8R25 S26 E32 L33R25-A29 PolarHBondContact O-N 3.25Å; S26-A29 PolarHBondContact O-N 3.43Å; A29-E32 PolarHBondContact O-N 2.9Å; A29-L33 WeakPolarHBondContact O-CG 3.48Å; A29-L33 PolarHBondContact O-N 3.07Å; A29-L33 VanDerWaalsContact O-N 3.09Å
30A68Low67Low52 Ų5299.9 Ų99.943%0.4355%0.551SS.*Hα-helixtrans-65.8-40.5174.500000112.2S26 L27 A28 E32 L33 S34S26-A30 WeakPolarHBondContact O-CB 3.09Å; S26-A30 PolarHBondContact O-N 3.46Å; L27-A30 PolarHBondContact O-N 3.13Å; A28-A30 PolarHBondContact O-N 2.88Å; A30-E32 VanDerWaalsContact C-N 3.32Å; A30-E32 PolarHBondContact O-N 3.31Å; A30-L33 PolarHBondContact O-N 2.93Å; A30-S34 PolarHBondContact O-N 2.93Å
31G65.9Low65.7Low42 Ų42101.9 Ų101.943%0.43356%0.561SS.*Hα-helixtrans-63.1-36.8173.500000112.9L27 A28 S34 A35L27-G31 PolarHBondContact O-N 3.05Å; A28-G31 PolarHBondContact O-N 3.38Å; G31-S34 PolarHBondContact O-N 3.03Å; G31-A35 WeakPolarHBondContact O-CB 3.28Å; G31-A35 PolarHBondContact O-N 2.92Å
32E59.9Low64.2Low142 Ų142101 Ų10166%0.66457%0.569SS**Hα-helixtrans-67.3-37.2176.4-141.6171.5-163.300112.3A28 A29 A30 R36A28-E32 PolarHBondContact O-N 2.87Å; A29-E32 PolarHBondContact O-N 2.9Å; A30-E32 VanDerWaalsContact C-N 3.32Å; A30-E32 PolarHBondContact O-N 3.31Å; E32-R36 VanDerWaalsContact O-CG 3.3Å; E32-R36 WeakPolarHBondContact O-CG 3.49Å; E32-R36 PolarHBondContact O-N 3.44Å
33L59Low62.3Low120 Ų120101.3 Ų101.363%0.62858%0.581SS**Hα-helixtrans-68.9-40.8172.4-69.8171.8000112.1A29 A30 R36 L37A29-L33 WeakPolarHBondContact O-CG 3.48Å; A29-L33 PolarHBondContact O-N 3.07Å; A29-L33 VanDerWaalsContact O-N 3.09Å; A30-L33 PolarHBondContact O-N 2.93Å; L33-R36 PolarHBondContact O-N 2.9Å; L33-L37 PolarHBondContact O-N 3.07Å
34S58.4Low60.6Low67 Ų67101.9 Ų101.947%0.46960%0.597SS.*Hα-helixtrans-60.8-47.2175.6-161.20000111.5A30 G31 R36 L37 E38A30-S34 PolarHBondContact O-N 2.93Å; G31-S34 PolarHBondContact O-N 3.03Å; S34-R36 PolarHBondContact O-N 2.77Å; S34-L37 PolarHBondContact O-N 3.2Å; S34-L37 VanDerWaalsContact O-N 3.11Å; S34-E38 PolarHBondContact O-N 2.61Å
35A57.2Low59.3Low65 Ų65101.6 Ų101.654%0.53761%0.609SS.*Hα-helixtrans-62.2-30.5178.100000113G31 A39G31-A35 WeakPolarHBondContact O-CB 3.28Å; G31-A35 PolarHBondContact O-N 2.92Å; A35-A39 PolarHBondContact O-N 2.8Å
36R56.8Low57.7Low190 Ų190100.4 Ų100.472%0.71762%0.621SS**Hα-helixtrans-76.7-31.3174.7-70.1-179.679.2166.55.6112.9E32 L33 S34 T40E32-R36 VanDerWaalsContact O-CG 3.3Å; E32-R36 WeakPolarHBondContact O-CG 3.49Å; E32-R36 PolarHBondContact O-N 3.44Å; L33-R36 PolarHBondContact O-N 2.9Å; S34-R36 PolarHBondContact O-N 2.77Å; R36-T40 PolarHBondContact O-OG1 2.86Å
37L57.6Low56.7Low117 Ų117105.7 Ų105.761%0.61364%0.641SS**Hα-helixtrans-72.7-40.9175.3-134.188.5000112L33 S34 A39 T40L33-L37 PolarHBondContact O-N 3.07Å; S34-L37 PolarHBondContact O-N 3.2Å; S34-L37 VanDerWaalsContact O-N 3.11Å; L37-A39 VanDerWaalsContact C-N 3.29Å; L37-A39 PolarHBondContact O-N 3.07Å; L37-T40 WeakPolarHBondContact CA-OG1 3.31Å; L37-T40 PolarHBondContact O-N 2.84Å; L37-T40 VanDerWaalsContact O-N 3.11Å; L37-T40 PolarHBondContact O-OG1 3.08Å
38E54.1Low55.7Low144 Ų144108.8 Ų108.867%0.67366%0.657SS**Hα-helixtrans-59.6-41.4177.3-15399.5-149.900111S34 T40 L41S34-E38 PolarHBondContact O-N 2.61Å; E38-T40 PolarHBondContact O-N 3.01Å; E38-L41 PolarHBondContact O-N 3.05Å
39A55.7Low54.2Low78 Ų78110.5 Ų110.565%0.64567%0.671SS**THydrogen-bonded Turntrans-65.1-21.3177.200000114.3A35 L37A35-A39 PolarHBondContact O-N 2.8Å; L37-A39 VanDerWaalsContact C-N 3.29Å; L37-A39 PolarHBondContact O-N 3.07Å
40T56.3Low52.9Low110 Ų110114.4 Ų114.468%0.67569%0.69SS**THydrogen-bonded Turntrans-90.1-7.5175.7340000114.8R36 L37 E38R36-T40 PolarHBondContact O-OG1 2.86Å; L37-T40 WeakPolarHBondContact CA-OG1 3.31Å; L37-T40 PolarHBondContact O-N 2.84Å; L37-T40 VanDerWaalsContact O-N 3.11Å; L37-T40 PolarHBondContact O-OG1 3.08Å; E38-T40 PolarHBondContact O-N 3.01Å
41L50.8Low51.4Low138 Ų138122.1 Ų122.172%0.72371%0.714SS**THydrogen-bonded Turntrans-111.8-0.3-176.2-72.7168.3000114.3E38 P43E38-L41 PolarHBondContact O-N 3.05Å; L41-P43 WeakPolarHBondContact O-CD 3.32Å
42A47.8Very low51.1Low70 Ų70127.5 Ų127.558%0.57973%0.726SS**SBendtrans-78.1119.9171.200000111.1S44A42-S44 PolarHBondContact O-N 3.31Å
43P44.1Very low50.6Low123 Ų123126.6 Ų126.680%0.79973%0.732SS**  trans-76.6115.5178.429.7-32.9000111.4L41 S45L41-P43 WeakPolarHBondContact O-CD 3.32Å; P43-S45 PolarHBondContact O-N 3.08Å
44S44.2Very low49.5Very low122 Ų122127.8 Ų127.885%0.85374%0.735SS**  trans-65.194.4176.1-53.90000112.2A42 C46A42-S44 PolarHBondContact O-N 3.31Å; S44-C46 PolarHBondContact O-N 3.42Å
45S50.4Low48.7Very low118 Ų118129 Ų12983%0.82575%0.749SS**  trans-96.986.4180-169.40000112.6P43P43-S45 PolarHBondContact O-N 3.08Å
46C43.3Very low47.5Very low117 Ų117137 Ų13779%0.79177%0.766SS**  trans-170.853.8164.951.20000114.7S44S44-C46 PolarHBondContact O-N 3.42Å
47M51.9Low46.4Very low178 Ų178131.7 Ų131.788%0.87776%0.764SS**  trans-138.765.8176.8-84.6-69.2-76.800113.8
48L50Low45.2Very low179 Ų179129.5 Ų129.594%0.93777%0.769SS**  trans-154.9118.8159.5-80.3-172.8000111.6
49A38.4Very low45.3Very low100 Ų100128.4 Ų128.483%0.82678%0.775SS**  trans16184134.800000111.4
50T40.2Very low44.1Very low130 Ų130133.5 Ų133.580%0.79879%0.785SS**  trans-93.1120.4163.647.60000109.8
51F37.9Very low43.1Very low214 Ų214132.5 Ų132.594%0.93979%0.788SS**  trans-138.4124157.9-86-74.4000111.6
52K59.1Low42.4Very low156 Ų156130.9 Ų130.968%0.67879%0.794SS**  trans-91.1159.1174.2-152.7-171-177.5-165.40108E54K52-E54 WeakPolarHBondContact CE-OE2 3.42Å; K52-E54 IonicContact NZ-OE2 2.65Å; K52-E54 PolarHBondContact NZ-OE2 3.27Å
53P48.5Very low41.8Very low123 Ų123131.9 Ų131.980%0.79980%0.802SS**  -144.2166.410131.3-13.2000115.8
54E37.4Very low42.1Very low145 Ų145132.3 Ų132.368%0.67881%0.805SS**  trans-65.1138.7169.5-84.9137.592.500112K52K52-E54 WeakPolarHBondContact CE-OE2 3.42Å; K52-E54 IonicContact NZ-OE2 2.65Å; K52-E54 PolarHBondContact NZ-OE2 3.27Å
55A40.8Very low41.5Very low92 Ų92130.2 Ų130.276%0.7680%0.803SS**  80.3115.664.400000114.9
56Y32.2Very low40.8Very low232 Ų232132.5 Ų132.591%0.9181%0.805SS**  -174.5154.2129.1-151.7-114.7000113.6
57A34.7Very low41.1Very low80 Ų80132.9 Ų132.966%0.66181%0.806SS**  trans57.5120.9161.700000122.7
58G31.3Very low40.3Very low71 Ų71132.2 Ų132.273%0.73280%0.801SS**  trans-93.8-158.413700000110.4
59P57.3Low39.6Very low121 Ų121130.5 Ų130.579%0.78679%0.792SS**  cis-139-173.118.543.3-24.9000116.3
60E30.6Very low39.6Very low185 Ų185136.9 Ų136.986%0.86480%0.795SS**  trans69.8112.3146.3-158.5-178.9161.700121.1
61A34.4Very low39.4Very low89 Ų89134.9 Ų134.974%0.73679%0.791SS**  173.2136.3107.900000114.3
62A35.2Very low39.2Very low103 Ų103132.5 Ų132.585%0.85178%0.783SS**  trans42.3119.8149.300000122.8
63A35.8Very low38.1Very low91 Ų91132.9 Ų132.975%0.75279%0.791SS**  trans-81.4-174.6144.700000109.8
64P51.4Low37.3Very low132 Ų132130.5 Ų130.586%0.85779%0.79SS**  cis-132.4-176.3-4.641.7-24.6000114.2
65G30.5Very low38Very low78 Ų78129.7 Ų129.780%0.80480%0.797SS**  trans17395.3167.400000117.3
66L37Very low37.8Very low167 Ų167129.8 Ų129.887%0.87480%0.797SS**  trans-78.3158.7148.3-89.9165.2000108
67P49.3Very low38.7Very low125 Ų125124.7 Ų124.781%0.81279%0.793SS**  cis-150.2-167.847.143.4-21.5000118
68E35.3Very low39.2Very low163 Ų163126.3 Ų126.376%0.76280%0.8SS**  trans-59.5169.3-177.2-121.8167.791.500119.4
69L35.4Very low40.1Very low144 Ų144128.5 Ų128.575%0.75480%0.801SS**  trans88.1114.4145.8-80.1159.2000122.5
70R37Very low39.2Very low234 Ų234127 Ų12788%0.88380%0.799SS**  99.4143124.3-173175.7177.7165.21.3120.1
71A36.5Very low39.4Very low87 Ų87127.9 Ų127.972%0.71980%0.8SS**  trans80.7144.8167.100000116.4
72E34.4Very low39.1Very low165 Ų165129.7 Ų129.777%0.77181%0.805SS**  cis166.3159.1-24.9-109.9-65.715600105.7
73L35.2Very low39.1Very low163 Ų163129.2 Ų129.285%0.85380%0.802SS**  trans78135.7175.1-49.9174.6000119.5
74G31.3Very low39.1Very low74 Ų74130.8 Ų130.876%0.76381%0.807SS**  trans-97.1-146.5-174.300000115.5
75P53.5Low38.5Very low127 Ų127129.1 Ų129.183%0.82581%0.805SS**  cis-141.917234.142.1-23.4000118.7
76A36.6Very low39Very low94 Ų94135 Ų13578%0.77781%0.808SS**  trans33.8151.6142.600000123.1
77P51.1Low39.7Very low125 Ų125133.1 Ų133.181%0.81281%0.806SS**  cis-144.3170.832.240.6-19.5000120.7
78S44.3Very low39.2Very low115 Ų115132 Ų13280%0.80481%0.807SS**  trans-23.4170.4164-118.90000121.3
79P50.3Low39.5Very low117 Ų117128.8 Ų128.876%0.7681%0.809SS**  cis-124-161.2-1.143-26.6000111.8
80A38.3Very low40.2Very low90 Ų90127.8 Ų127.874%0.74481%0.811SS**  cis-148.7-174.13.200000110.8
81K35.1Very low40.2Very low202 Ų202120.8 Ų120.888%0.87880%0.803SS**  trans-155.2156.3178.1-62.9177.9-178.6173.50113.4
82C27.3Very low40.4Very low127 Ų127126.4 Ų126.486%0.85881%0.812SS**  trans-144.4117.6141.7-76.80000106
83A36.1Very low40.5Very low94 Ų94129 Ų12978%0.77782%0.816SS**  68131.362.700000113.3
84S36Very low41.6Very low123 Ų123126.2 Ų126.286%0.8681%0.808SS**  cis-165.5175.4-9.848.30000111.5
85A38.4Very low41.7Very low98 Ų98133.5 Ų133.581%0.8181%0.812SS**  trans-54.3166.5-168.400000121.3
86F41.1Very low40.9Very low201 Ų201130.6 Ų130.688%0.88280%0.799SS**  trans-53.6162165-84.5-93.5000114.6
87P51.5Low40.8Very low127 Ų127135.8 Ų135.883%0.82580%0.8SS**  -140.6-174.9109.636.2-20.9000115.3
88A37.9Very low40.6Very low101 Ų101134.9 Ų134.984%0.83580%0.797SS**  trans-94.6178.6-165.200000116.3
89A42Very low40.5Very low96 Ų96135.1 Ų135.179%0.79379%0.789SS**  trans-66.5166.5-172.300000116.4
90P50Low40.6Very low124 Ų124135.3 Ų135.381%0.80579%0.79SS**  -145.4159.7114.738.2-24.1000117.4
91A37.8Very low40.7Very low87 Ų87137.2 Ų137.272%0.71979%0.788SS**  trans37.9129147.100000123.5
92F39.6Very low41.4Very low204 Ų204133 Ų13390%0.89578%0.782SS**  -175.2153.1102.8-127.8-107.7000113.4
93Y37.5Very low42.4Very low220 Ų220130.6 Ų130.686%0.86377%0.771SS**  trans-108.7-162.2179.7-95.8-86.8000110
94P57.4Low42.6Very low105 Ų105136 Ų13668%0.68278%0.777SS**  cis-131.5169.7-4836.1-21.4000113.8
95R33.4Very low43.3Very low226 Ų226137.1 Ų137.185%0.85377%0.773SS**  trans163.1171.3140.6-103-69.3-171.9175.9-3.7113.2
96A36.8Very low43.7Very low67 Ų67138.3 Ų138.355%0.55477%0.772SS**  -160.2166.6-102.900000111.9
97Y35.4Very low43.9Very low202 Ų202140.1 Ų140.179%0.79277%0.773SS**  trans63.7139.1165.3-101.8-105.6000116.7
98S45.6Very low43.9Very low107 Ų107137.7 Ų137.775%0.74876%0.764SS**  cis-146.2155.334.6-57.10000115.5
99D42.9Very low44.3Very low119 Ų119141.8 Ų141.864%0.63677%0.765SS**  trans-51158.9155.7-112.4-75.2000112.9D101D99-D101 PolarHBondContact OD1-N 2.96Å
100P53.3Low44.3Very low121 Ų121147 Ų14779%0.78677%0.77SS**  -144.7143.462.337.2-17.5000118.9
101D40.5Very low44.1Very low131 Ų131149.1 Ų149.170%0.70177%0.767SS**  trans-74.5141.4143.8-166.328.8000109D99 A103D99-D101 PolarHBondContact OD1-N 2.96Å; D101-A103 PolarHBondContact OD1-N 3.42Å
102P48.2Very low44.6Very low114 Ų114151.4 Ų151.474%0.7476%0.763SS**  -143.7131.281.632.5-12.1000116.4
103A48.1Very low44.9Very low76 Ų76150.2 Ų150.263%0.62877%0.765SS**  trans59.4113.7139.400000120.6D101D101-A103 PolarHBondContact OD1-N 3.42Å
104K41Very low45.2Very low208 Ų208145.2 Ų145.290%0.90476%0.76SS**  trans-170.9139.9131.9-103.2152.3-171.9175.60112.5P106K104-P106 WeakPolarHBondContact O-CD 3.49Å
105D49.9Very low44.8Very low146 Ų146142.9 Ų142.978%0.78175%0.75SS**  trans-59136.2173.7-83.6-80.7000113.8
106P47.6Very low45.4Very low123 Ų123139 Ų13980%0.79975%0.746SS**  trans-109.547.4158.337.8-29.7000111.7K104K104-P106 WeakPolarHBondContact O-CD 3.49Å
107R46.3Very low45.7Very low239 Ų239144.6 Ų144.690%0.90276%0.76SS**  trans-101.140.6171.7-101.9-169.8177.3-166.43113.2
108A49.7Very low46.1Very low75 Ų75143.9 Ų143.962%0.6276%0.761SS**SBendtrans-131.4-32.4-178.900000116K110A108-K110 PolarHBondContact O-N 3.35Å; A108-K110 VanDerWaalsContact O-N 3.1Å
109E46.5Very low46.2Very low187 Ų187144.7 Ų144.787%0.87476%0.762SS**THydrogen-bonded Turntrans-93.749.9-163.5-62.1-167.6117.800115.6
110K43.5Very low46.4Very low206 Ų206146 Ų14690%0.89677%0.774SS**THydrogen-bonded Turntrans-136.327.1167.5-142.2173.6-172.7172.80114.6A108A108-K110 PolarHBondContact O-N 3.35Å; A108-K110 VanDerWaalsContact O-N 3.1Å
111K45.9Very low45.8Very low168 Ų168149.7 Ų149.773%0.7378%0.78SS**SBendtrans-116.8-25.4172.1-69.5-178.1177.3177.30113.5L113 C114K111-L113 VanDerWaalsContact C-N 3.29Å; K111-L113 PolarHBondContact O-N 2.93Å; K111-C114 PolarHBondContact O-N 2.99Å
112E47.8Very low46.1Very low136 Ų136150.7 Ų150.764%0.63679%0.785SS**THydrogen-bonded Turntrans-76.1-1.9-176.1-74.1-58.7111.600116.1
113L46Very low46.1Very low178 Ų178153.5 Ų153.593%0.93279%0.788SS**THydrogen-bonded Turntrans-96.34.1170.7-67.6176.4000113.8K111K111-L113 VanDerWaalsContact C-N 3.29Å; K111-L113 PolarHBondContact O-N 2.93Å
114C42.7Very low45.6Very low115 Ų115159.6 Ų159.678%0.77780%0.8SS**SBendtrans-113.6-8174.3-154.80000112.9K111K111-C114 PolarHBondContact O-N 2.99Å
115A48.8Very low45.7Very low56 Ų56155.1 Ų155.146%0.46379%0.792SS.*SBendtrans-89.5-30.3-177.300000113.9
116L46.3Very low45.5Very low146 Ų146157.7 Ų157.776%0.76480%0.8SS**SBendtrans-86-7.2-175.9-95.7171.8000115.8K118L116-K118 PolarHBondContact O-N 3.29Å; L116-K118 VanDerWaalsContact O-N 3.07Å
117Q43.7Very low45.2Very low184 Ų184156.5 Ų156.586%0.8680%0.801SS**THydrogen-bonded Turntrans-83.538.7173.1-1617752.500111.9
118K43Very low45.3Very low186 Ų186152 Ų15281%0.80979%0.794SS**THydrogen-bonded Turntrans-150.822.2-173.3-137.9-176.5-178.2-172.50117.2L116L116-K118 PolarHBondContact O-N 3.29Å; L116-K118 VanDerWaalsContact O-N 3.07Å
119V49.2Very low44.9Very low125 Ų125155.7 Ų155.776%0.75880%0.804SS**SBendtrans-14156.2172.3-1610000112.6
120V45.8Very low44.9Very low147 Ų147150.1 Ų150.189%0.89179%0.789SS**  trans-149.792.8151.2-1750000109.1
121E40.8Very low45.2Very low198 Ų198149.4 Ų149.493%0.92579%0.789SS**  trans-157.5109.1138.2-154.1162.5-173.200108.4
122L47.6Very low45.7Very low152 Ų152152.8 Ų152.880%0.79680%0.797SS**  trans-99115.6-175.2-175.176.5000109.6
123E47.7Very low45.8Very low172 Ų172151.8 Ų151.880%0.80480%0.802SS**  trans46121.6150.8-57-171.1137.400121.7
124K36.8Very low46.4Very low204 Ų204154.9 Ų154.989%0.88780%0.802SS**  trans-154163.5134.3-112.3-149.7162.2178.60110.5
125P44.2Very low47.2Very low114 Ų114153.9 Ų153.974%0.7480%0.802SS**  trans-103.7175.7-136.78.814.1000114.1
126E46.2Very low47.8Very low201 Ų201162.5 Ų162.594%0.93982%0.823SS**  trans-58.8139.6178.1-58.1-173.1108.900113.6
127A41Very low48.7Very low98 Ų98167.3 Ų167.381%0.8183%0.831SS**  trans-146.8130.7157.200000109.1N129A127-N129 PolarHBondContact O-N 2.87Å
128D47.9Very low50.2Low143 Ų143170.1 Ų170.177%0.76583%0.833SS**  trans-50.1129.6179.7-173-57.2000113.1A130D128-A130 PolarHBondContact OD1-N 3.43Å
129N40.7Very low52Low154 Ų154172.7 Ų172.782%0.82484%0.838SS**  trans-149.899148.4-138.6-107.4000114.3A127A127-N129 PolarHBondContact O-N 2.87Å
130A46.7Very low53.3Low69 Ų69175.8 Ų175.857%0.5784%0.841SS**  trans21.1111.8141.100000118.9D128 R132D128-A130 PolarHBondContact OD1-N 3.43Å; A130-R132 PolarHBondContact O-N 3.13Å
131E51.2Low55.1Low192 Ų192174.4 Ų174.490%0.89784%0.835SS**  trans6.183.5146.5-164.2179-174.300117.5P133E131-P133 WeakPolarHBondContact O-CD 3.21Å
132R55.1Low57.4Low239 Ų239176.4 Ų176.490%0.90283%0.834SS**  trans-92.7113.9167.5-131.5177.7-171.4-154.23.3110.6A130 R134A130-R132 PolarHBondContact O-N 3.13Å; R132-R134 PolarHBondContact O-N 3.06Å
133P49.9Very low59.4Low114 Ų114175.1 Ų175.174%0.7483%0.833SS**  trans-61.9127.6-176.722.7-32.7000110.9E131 A135E131-P133 WeakPolarHBondContact O-CD 3.21Å; P133-A135 PolarHBondContact O-N 2.78Å
134R58.2Low61.7Low243 Ų243174.3 Ų174.392%0.91783%0.833SS**  trans-39.3103.4-170.3-63.5174.8-175.5-105.7-0.3112.5R132 R136R132-R134 PolarHBondContact O-N 3.06Å; R134-R136 PolarHBondContact O-N 3.31Å
135A59.4Low64.6Low95 Ų95167.5 Ų167.579%0.78580%0.803SS**  trans-55.4116179.400000110.1P133 R137P133-A135 PolarHBondContact O-N 2.78Å; A135-R137 PolarHBondContact O-N 3.07Å
136R62.9Low67.1Low237 Ų237165 Ų16589%0.89479%0.788SS**  trans-47.9116.3178.9-71.8177.6173.7171.9-2.1108.9R134 R138R134-R136 PolarHBondContact O-N 3.31Å; R136-R138 PolarHBondContact O-N 2.78Å
137R65.6Low69.6Low246 Ų246162.9 Ų162.993%0.92878%0.779SS**  trans-46.8105.4-177.6-80.9-176.5173.9-101.67109.5A135 R139A135-R137 PolarHBondContact O-N 3.07Å; R137-R139 PolarHBondContact O-N 3.34Å
138R73.7Confident72.3Confident244 Ų244161.6 Ų161.692%0.92177%0.768SS**PPolyproline II helixtrans-58.6127-178.6-69.9-174.3174.8-137.70.3108.1R136R136-R138 PolarHBondContact O-N 2.78Å
139R80.8Confident74.7Confident239 Ų239156.5 Ų156.590%0.90274%0.74SS**PPolyproline II helixtrans-60.4140.3177.7-67.4-179.2176.2-177.6-1.6108.2R137R137-R139 PolarHBondContact O-N 3.34Å
140K77.8Confident77.5Confident191 Ų191150.8 Ų150.883%0.8371%0.71SS**PPolyproline II helixtrans-55.1135.8176.6-83.988.7170.9-165.80109.3
141P83.2Confident79.9Confident118 Ų118154.4 Ų154.477%0.76671%0.71SS**PPolyproline II helixtrans-52.6144.6171.9-26.735.3000111.4V143P141-V143 PolarHBondContact O-N 3.02Å
142R89.8Confident82.2Confident239 Ų239147.8 Ų147.890%0.90268%0.679SS**PPolyproline II helixtrans-74.4122.7172.3-71-179.8174.3170.5-3.1108.4
143V89.6Confident84.3Confident126 Ų126136.4 Ų136.476%0.76464%0.636SS**PPolyproline II helixtrans-82.8131.9171.3-177.30000108.5P141P141-V143 PolarHBondContact O-N 3.02Å
144L94.6Very high86.6Confident154 Ų154134 Ų13481%0.80662%0.615SS**PPolyproline II helixtrans-96.3151172.9-60.6178.6000109.8
145F97.6Very high88.5Confident61 Ų61128.3 Ų128.327%0.26859%0.594SS.*PPolyproline II helixtrans-79.4149.1171.4-57.3-44.9000110.3Q149 V150 L177 Q181 W185F145-Q149 HydrophobicContact CB-CB 4.2Å; F145-V150 HydrophobicContact CB-CG2 4.01Å; F145-L177 HydrophobicContact CD1-CD1 4.24Å; F145-L177 HydrophobicContact CD1-CD2 3.74Å; F145-L177 HydrophobicContact CE1-CD1 4.21Å; F145-L177 HydrophobicContact CE1-CD2 3.68Å; F145-Q181 HydrophobicContact CE1-CB 4.26Å; F145-Q181 HydrophobicContact CE1-CG 4.27Å; F145-Q181 HydrophobicContact CZ-CB 3.95Å; F145-Q181 HydrophobicContact CZ-CG 4.17Å; F145-W185 AromaticContact CD2-CD1 3.78Å; F145-W185 HydrophobicContact CE2-CB 4.28Å; F145-W185 AromaticContact CE2-CD1 3.73Å; F145-W185 HydrophobicContact CE2-CG 4.35Å
146S98.2Very high90.3Very high61 Ų61127.6 Ų127.643%0.42757%0.571SS.*PPolyproline II helixtrans-71.2159175.776.60000111.4A148 Q149 V150S146-A148 VanDerWaalsContact C-N 3.25Å; S146-A148 PolarHBondContact O-N 2.93Å; S146-Q149 WeakPolarHBondContact O-CB 3.31Å; S146-Q149 PolarHBondContact O-N 3.43Å; S146-Q149 VanDerWaalsContact O-N 3.08Å; S146-Q149 WeakPolarHBondContact OG-CG 3.16Å; S146-Q149 PolarHBondContact OG-N 3.3Å; S146-V150 WeakPolarHBondContact O-CG2 3.28Å; S146-V150 PolarHBondContact O-N 3.41Å
147Q98.1Very high92Very high158 Ų158116.7 Ų116.774%0.73853%0.53SS*.Hα-helixtrans-60-36.3-179.9-170.863.56.400112.4V150 Y151Q147-V150 PolarHBondContact O-N 2.91Å; Q147-Y151 WeakPolarHBondContact O-CB 3.4Å; Q147-Y151 PolarHBondContact O-N 3.36Å
148A97.9Very high93.6Very high70 Ų70113.4 Ų113.458%0.57952%0.522SS*.Hα-helixtrans-65.2-40.8174.600000112.5S146 Y151 E152S146-A148 VanDerWaalsContact C-N 3.25Å; S146-A148 PolarHBondContact O-N 2.93Å; A148-Y151 PolarHBondContact O-N 3.19Å; A148-E152 PolarHBondContact O-N 3.48Å; A148-E152 VanDerWaalsContact O-N 3.16Å
149Q98.4Very high94.7Very high37 Ų37107.5 Ų107.517%0.17351%0.505CS..Hα-helixtrans-63-44.1173.7-72.4171.9-30.800111.2F145 S146 L153 L175F145-Q149 HydrophobicContact CB-CB 4.2Å; S146-Q149 WeakPolarHBondContact O-CB 3.31Å; S146-Q149 PolarHBondContact O-N 3.43Å; S146-Q149 VanDerWaalsContact O-N 3.08Å; S146-Q149 WeakPolarHBondContact OG-CG 3.16Å; S146-Q149 PolarHBondContact OG-N 3.3Å; Q149-L153 WeakPolarHBondContact O-CB 3.35Å; Q149-L153 WeakPolarHBondContact O-CD1 3.34Å; Q149-L153 WeakPolarHBondContact O-CG 3.48Å; Q149-L153 PolarHBondContact O-N 2.95Å; Q149-L175 HydrophobicContact CG-CB 4.47Å; Q149-L175 PolarHBondContact NE2-O 3.47Å
150V98.4Very high95.6Very high33 Ų3398.7 Ų98.720%0.247%0.474CS..Hα-helixtrans-63.6-42.3177.4176.20000111.3F145 S146 Q147 L153 E154F145-V150 HydrophobicContact CB-CG2 4.01Å; S146-V150 WeakPolarHBondContact O-CG2 3.28Å; S146-V150 PolarHBondContact O-N 3.41Å; Q147-V150 PolarHBondContact O-N 2.91Å; V150-L153 PolarHBondContact O-N 3.24Å; V150-E154 HydrophobicContact CG1-CG 4.39Å; V150-E154 WeakPolarHBondContact O-CG 3.38Å; V150-E154 PolarHBondContact O-N 2.89Å
151Y98.4Very high96.5Very high146 Ų14694.6 Ų94.657%0.57345%0.453SS*.Hα-helixtrans-58.1-51.1178174.3-92.2000112.2Q147 A148 E154 R155Q147-Y151 WeakPolarHBondContact O-CB 3.4Å; Q147-Y151 PolarHBondContact O-N 3.36Å; A148-Y151 PolarHBondContact O-N 3.19Å; Y151-E154 PolarHBondContact O-N 2.81Å; Y151-R155 WeakPolarHBondContact O-CB 3.41Å; Y151-R155 PolarHBondContact O-N 3.36Å
152E98.5Very high97.2Very high52 Ų5296.4 Ų96.424%0.24345%0.446CS..Hα-helixtrans-68.2-36179.6-79.6-60.7139.800112.6A148 E154 R155 R156 L175A148-E152 PolarHBondContact O-N 3.48Å; A148-E152 VanDerWaalsContact O-N 3.16Å; E152-E154 PolarHBondContact O-N 3.16Å; E152-R155 PolarHBondContact O-N 2.88Å; E152-R155 WeakPolarHBondContact OE1-CD 3.44Å; E152-R155 IonicContact OE1-CZ 3.77Å; E152-R155 IonicContact OE1-NE 3.99Å; E152-R155 IonicContact OE1-NH1 2.78Å; E152-R155 PolarHBondContact OE1-NH1 3.48Å; E152-R155 WeakPolarHBondContact OE2-CD 3.46Å; E152-R155 IonicContact OE2-NH1 3.34Å; E152-R155 PolarHBondContact OE2-NH1 3.27Å; E152-R156 WeakPolarHBondContact O-CB 3.35Å; E152-R156 PolarHBondContact O-N 3.38Å; E152-L175 HydrophobicContact CB-CD1 4.2Å; E152-L175 HydrophobicContact CB-CD2 3.59Å; E152-L175 HydrophobicContact CG-CD2 4.08Å
153L98.6Very high97.6Very high0 Ų086.1 Ų86.10%041%0.409CS..Hα-helixtrans-60.4-43.3171.3-72.5166000111.6Q149 V150 F157 L171 L175 L177 V182 W185 F186Q149-L153 WeakPolarHBondContact O-CB 3.35Å; Q149-L153 WeakPolarHBondContact O-CD1 3.34Å; Q149-L153 WeakPolarHBondContact O-CG 3.48Å; Q149-L153 PolarHBondContact O-N 2.95Å; V150-L153 PolarHBondContact O-N 3.24Å; L153-F157 VanDerWaalsContact O-CB 3.22Å; L153-F157 WeakPolarHBondContact O-CB 3.44Å; L153-F157 PolarHBondContact O-N 3.26Å; L153-L171 HydrophobicContact CD2-CD2 4Å; L153-L175 HydrophobicContact CD2-CD1 3.85Å; L153-L175 HydrophobicContact CG-CD1 3.7Å; L153-L177 HydrophobicContact CD1-CD1 4.22Å; L153-V182 HydrophobicContact CD2-CG1 4.37Å; L153-W185 HydrophobicContact CB-CD2 3.9Å; L153-W185 HydrophobicContact CB-CE3 3.85Å; L153-W185 HydrophobicContact CB-CH2 3.69Å; L153-W185 HydrophobicContact CB-CZ2 3.71Å; L153-W185 HydrophobicContact CB-CZ3 3.76Å; L153-W185 HydrophobicContact CD1-CD2 3.89Å; L153-W185 HydrophobicContact CD1-CE3 4.5Å; L153-W185 HydrophobicContact CD1-CG 3.86Å; L153-W185 HydrophobicContact CD2-CD2 4.37Å; L153-W185 HydrophobicContact CD2-CE3 4.21Å; L153-W185 HydrophobicContact CG-CD2 4.27Å; L153-W185 HydrophobicContact CG-CE3 4.41Å; L153-W185 WeakPolarHBondContact O-CZ3 3.34Å; L153-F186 HydrophobicContact CD2-CD2 4.42Å; L153-F186 HydrophobicContact CD2-CE2 3.89Å
154E98.4Very high98Very high63 Ų6382.7 Ų82.729%0.29439%0.39SS..Hα-helixtrans-69.3-39.5175.5-72.9-161.8156.300112.9V150 Y151 E152 F157 K158 W185 R189V150-E154 HydrophobicContact CG1-CG 4.39Å; V150-E154 WeakPolarHBondContact O-CG 3.38Å; V150-E154 PolarHBondContact O-N 2.89Å; Y151-E154 PolarHBondContact O-N 2.81Å; E152-E154 PolarHBondContact O-N 3.16Å; E154-F157 PolarHBondContact O-N 2.88Å; E154-K158 WeakPolarHBondContact O-CG 3.29Å; E154-K158 PolarHBondContact O-N 2.98Å; E154-W185 HydrophobicContact CB-CH2 4.42Å; E154-W185 HydrophobicContact CG-CH2 3.71Å; E154-W185 HydrophobicContact CG-CZ2 3.73Å; E154-R189 IonicContact OE1-CZ 2.72Å; E154-R189 IonicContact OE1-NH1 2.75Å; E154-R189 PolarHBondContact OE1-NH1 3.38Å; E154-R189 IonicContact OE1-NH2 3.39Å
155R98.5Very high98.2Very high125 Ų12577.7 Ų77.747%0.47237%0.371SS..Hα-helixtrans-58.3-50.1174.8-176.6-174.9177.3-161.2-0.5110.9Y151 E152 K158 Q159Y151-R155 WeakPolarHBondContact O-CB 3.41Å; Y151-R155 PolarHBondContact O-N 3.36Å; E152-R155 PolarHBondContact O-N 2.88Å; E152-R155 WeakPolarHBondContact OE1-CD 3.44Å; E152-R155 IonicContact OE1-CZ 3.77Å; E152-R155 IonicContact OE1-NE 3.99Å; E152-R155 IonicContact OE1-NH1 2.78Å; E152-R155 PolarHBondContact OE1-NH1 3.48Å; E152-R155 WeakPolarHBondContact OE2-CD 3.46Å; E152-R155 IonicContact OE2-NH1 3.34Å; E152-R155 PolarHBondContact OE2-NH1 3.27Å; R155-K158 PolarHBondContact O-N 3.24Å; R155-Q159 PolarHBondContact O-N 2.95Å
156R98.3Very high98.2Very high80 Ų8078.7 Ų78.730%0.30238%0.384SS..Hα-helixtrans-67.1-36.7176.9-169.960.6178.2175.40.9112E152 K158 Q159 Q160 L163 E167 L171 F186E152-R156 WeakPolarHBondContact O-CB 3.35Å; E152-R156 PolarHBondContact O-N 3.38Å; R156-K158 VanDerWaalsContact C-N 3.34Å; R156-K158 PolarHBondContact O-N 3.05Å; R156-Q159 VanDerWaalsContact CD-OE1 3.31Å; R156-Q159 WeakPolarHBondContact O-CB 3.47Å; R156-Q159 PolarHBondContact O-N 2.82Å; R156-Q160 VanDerWaalsContact NH2-OE1 3.08Å; R156-Q160 PolarHBondContact O-N 3.44Å; R156-L163 HydrophobicContact CG-CD2 4.24Å; R156-E167 IonicContact NH2-OE1 3.54Å; R156-L171 HydrophobicContact CB-CD2 4.22Å; R156-L171 HydrophobicContact CG-CD2 4.05Å; R156-F186 HydrophobicContact CB-CZ 4.39Å; R156-F186 HydrophobicContact CG-CZ 4.33Å
157F98.5Very high98.3Very high8 Ų878 Ų784%0.03537%0.374CS..Hα-helixtrans-64.3-33.7176.6-175.7-95.8000114L153 E154 Q159 Q160 R161 W185 F186 R189 R190L153-F157 VanDerWaalsContact O-CB 3.22Å; L153-F157 WeakPolarHBondContact O-CB 3.44Å; L153-F157 PolarHBondContact O-N 3.26Å; E154-F157 PolarHBondContact O-N 2.88Å; F157-Q159 VanDerWaalsContact C-N 3.31Å; F157-Q160 CarbonylContact O-C 3.53Å; F157-Q160 PolarHBondContact O-N 2.92Å; F157-R161 HydrophobicContact CE1-CG 4.42Å; F157-R161 HydrophobicContact CE2-CB 4.07Å; F157-R161 HydrophobicContact CE2-CG 4.33Å; F157-R161 HydrophobicContact CZ-CB 4.26Å; F157-R161 HydrophobicContact CZ-CG 4.11Å; F157-W185 HydrophobicContact CB-CH2 4.29Å; F157-W185 HydrophobicContact CB-CZ3 4.03Å; F157-W185 HydrophobicContact CD2-CZ3 4.41Å; F157-W185 HydrophobicContact CG-CZ3 4.37Å; F157-F186 HydrophobicContact CB-CE1 4.15Å; F157-F186 HydrophobicContact CB-CZ 4.28Å; F157-F186 AromaticContact CD2-CD1 3.78Å; F157-F186 HydrophobicContact CD2-CD1 3.78Å; F157-F186 AromaticContact CD2-CE1 3.8Å; F157-F186 HydrophobicContact CD2-CE1 3.8Å; F157-F186 HydrophobicContact CE2-CD1 4.45Å; F157-F186 HydrophobicContact CG-CE1 4.49Å; F157-R189 HydrophobicContact CD1-CG 3.65Å; F157-R189 HydrophobicContact CD2-CB 4.24Å; F157-R189 HydrophobicContact CD2-CG 3.76Å; F157-R189 HydrophobicContact CE1-CG 3.58Å; F157-R189 HydrophobicContact CE2-CB 4.08Å; F157-R189 HydrophobicContact CE2-CG 3.71Å; F157-R189 HydrophobicContact CG-CG 3.74Å; F157-R189 HydrophobicContact CZ-CB 4.32Å; F157-R189 HydrophobicContact CZ-CG 3.61Å; F157-R190 HydrophobicContact CE2-CG 3.82Å; F157-R190 HydrophobicContact CZ-CG 4.12Å
158K98Very high98.3Very high177 Ų17773.1 Ų73.177%0.7735%0.349SS*.Hα-helixtrans-63.6-37.9173.7-74171.2-177.1179.80111.7E154 R155 R156E154-K158 WeakPolarHBondContact O-CG 3.29Å; E154-K158 PolarHBondContact O-N 2.98Å; R155-K158 PolarHBondContact O-N 3.24Å; R156-K158 VanDerWaalsContact C-N 3.34Å; R156-K158 PolarHBondContact O-N 3.05Å
159Q98Very high98.3Very high120 Ų12073.5 Ų73.556%0.56134%0.341SS*.Hα-helixtrans-71.9-45.1175.6-61.4169.1-600111.5R155 R156 F157R155-Q159 PolarHBondContact O-N 2.95Å; R156-Q159 VanDerWaalsContact CD-OE1 3.31Å; R156-Q159 WeakPolarHBondContact O-CB 3.47Å; R156-Q159 PolarHBondContact O-N 2.82Å; F157-Q159 VanDerWaalsContact C-N 3.31Å
160Q98Very high98.3Very high53 Ų5378 Ų7825%0.24836%0.362CS..  trans-149.2113.4-168.2-173.4-179.1-4.900110.9R156 F157 Y162 L163 E167 F186R156-Q160 VanDerWaalsContact NH2-OE1 3.08Å; R156-Q160 PolarHBondContact O-N 3.44Å; F157-Q160 CarbonylContact O-C 3.53Å; F157-Q160 PolarHBondContact O-N 2.92Å; Q160-Y162 VanDerWaalsContact C-N 3.31Å; Q160-Y162 VanDerWaalsContact CG-O 3.29Å; Q160-Y162 WeakPolarHBondContact CG-O 3.4Å; Q160-Y162 PolarHBondContact NE2-O 3.49Å; Q160-Y162 PolarHBondContact O-N 3.49Å; Q160-L163 HydrophobicContact CB-CD2 4.3Å; Q160-L163 HydrophobicContact CG-CD2 4.04Å; Q160-E167 VanDerWaalsContact NE2-CD 3.3Å; Q160-E167 PolarHBondContact NE2-OE1 2.62Å; Q160-E167 PolarHBondContact NE2-OE2 3.42Å; Q160-E167 VanDerWaalsContact NE2-OE2 3.07Å; Q160-E167 PolarHBondContact OE1-OE1 3.03Å; Q160-F186 WeakPolarHBondContact O-CE1 3.49Å
161R97.6Very high98.3Very high106 Ų10677.3 Ų77.340%0.436%0.357SS..SBendtrans-77.3-15.7-174.4-59.917769.8880.6114F157 R190 C193F157-R161 HydrophobicContact CE1-CG 4.42Å; F157-R161 HydrophobicContact CE2-CB 4.07Å; F157-R161 HydrophobicContact CE2-CG 4.33Å; F157-R161 HydrophobicContact CZ-CB 4.26Å; F157-R161 HydrophobicContact CZ-CG 4.11Å; R161-R190 WeakPolarHBondContact O-CD 3.36Å; R161-C193 VanDerWaalsContact NH2-CB 3.28Å
162Y98.3Very high98.3Very high155 Ų15570.5 Ų70.561%0.60833%0.331SS*.SBendtrans-137.3115.8-176.7-65.9-96.4000109.3Q160 R190Q160-Y162 VanDerWaalsContact C-N 3.31Å; Q160-Y162 VanDerWaalsContact CG-O 3.29Å; Q160-Y162 WeakPolarHBondContact CG-O 3.4Å; Q160-Y162 PolarHBondContact NE2-O 3.49Å; Q160-Y162 PolarHBondContact O-N 3.49Å; Y162-R190 VanDerWaalsContact CE1-CD 3.43Å; Y162-R190 VanDerWaalsContact CZ-CD 3.41Å
163L98.2Very high98.3Very high24 Ų2472.1 Ų72.113%0.12635%0.348CS..  trans-97.8140.2176.5-60.6-179.5000110.7R156 Q160 E167 R168 L171 V182 F186R156-L163 HydrophobicContact CG-CD2 4.24Å; Q160-L163 HydrophobicContact CB-CD2 4.3Å; Q160-L163 HydrophobicContact CG-CD2 4.04Å; L163-E167 HydrophobicContact CB-CB 4.25Å; L163-E167 HydrophobicContact CD2-CB 4.25Å; L163-R168 HydrophobicContact CB-CG 3.56Å; L163-R168 HydrophobicContact CD1-CG 3.96Å; L163-R168 HydrophobicContact CG-CG 4.42Å; L163-L171 HydrophobicContact CD1-CD2 3.81Å; L163-V182 HydrophobicContact CD1-CG1 4.26Å; L163-F186 HydrophobicContact CD1-CD1 4.29Å; L163-F186 HydrophobicContact CD1-CD2 4.24Å; L163-F186 HydrophobicContact CD1-CE1 3.76Å; L163-F186 HydrophobicContact CD1-CE2 3.71Å; L163-F186 HydrophobicContact CD1-CZ 3.46Å; L163-F186 VanDerWaalsContact CD1-CZ 3.46Å; L163-F186 HydrophobicContact CD2-CE1 4.33Å; L163-F186 HydrophobicContact CG-CD1 4.1Å; L163-F186 HydrophobicContact CG-CE1 3.67Å; L163-F186 HydrophobicContact CG-CZ 3.91Å
164S98.4Very high98.2Very high53 Ų5377.3 Ų77.337%0.37138%0.38SS..  trans-65.4-174.6169.166.70000111.9P166 E167 R168S164-P166 WeakPolarHBondContact OG-CD 3.5Å; S164-E167 WeakPolarHBondContact CB-OE2 3.43Å; S164-E167 PolarHBondContact N-OE2 3.3Å; S164-E167 VanDerWaalsContact OG-CD 3.26Å; S164-E167 VanDerWaalsContact OG-CG 3.28Å; S164-E167 WeakPolarHBondContact OG-CG 3.44Å; S164-E167 PolarHBondContact OG-OE2 3.14Å; S164-R168 VanDerWaalsContact O-CG 3.31Å; S164-R168 WeakPolarHBondContact O-CG 3.37Å; S164-R168 PolarHBondContact O-NE 2.77Å
165A98.1Very high98.2Very high50 Ų5075.1 Ų75.141%0.41337%0.37SS..Hα-helixtrans-64.5-61.4170.800000113E167 R168 D169A165-E167 VanDerWaalsContact C-N 3.31Å; A165-E167 PolarHBondContact O-N 3.39Å; A165-R168 WeakPolarHBondContact O-CB 3.34Å; A165-R168 PolarHBondContact O-N 3.43Å; A165-D169 PolarHBondContact O-N 2.96Å
166P98.3Very high98.2Very high82 Ų8278.3 Ų78.353%0.53239%0.387SS..Hα-helixtrans-60.7-36.6-17423.3-34.9000113.4S164 R168 D169 Q170S164-P166 WeakPolarHBondContact OG-CD 3.5Å; P166-R168 VanDerWaalsContact C-N 3.29Å; P166-R168 PolarHBondContact O-N 2.88Å; P166-D169 PolarHBondContact O-N 2.87Å; P166-Q170 WeakPolarHBondContact O-CG 3.45Å; P166-Q170 PolarHBondContact O-N 3.13Å
167E98.3Very high98.2Very high46 Ų4675.6 Ų75.622%0.21538%0.379CS..Hα-helixtrans-65.1-32.1176.9-65.1169.3117.800112.9R156 Q160 L163 S164 A165 L171R156-E167 IonicContact NH2-OE1 3.54Å; Q160-E167 VanDerWaalsContact NE2-CD 3.3Å; Q160-E167 PolarHBondContact NE2-OE1 2.62Å; Q160-E167 PolarHBondContact NE2-OE2 3.42Å; Q160-E167 VanDerWaalsContact NE2-OE2 3.07Å; Q160-E167 PolarHBondContact OE1-OE1 3.03Å; L163-E167 HydrophobicContact CB-CB 4.25Å; L163-E167 HydrophobicContact CD2-CB 4.25Å; S164-E167 WeakPolarHBondContact CB-OE2 3.43Å; S164-E167 PolarHBondContact N-OE2 3.3Å; S164-E167 VanDerWaalsContact OG-CD 3.26Å; S164-E167 VanDerWaalsContact OG-CG 3.28Å; S164-E167 WeakPolarHBondContact OG-CG 3.44Å; S164-E167 PolarHBondContact OG-OE2 3.14Å; A165-E167 VanDerWaalsContact C-N 3.31Å; A165-E167 PolarHBondContact O-N 3.39Å; E167-L171 WeakPolarHBondContact O-CB 3.22Å; E167-L171 PolarHBondContact O-N 2.97Å
168R98.6Very high98.1Very high55 Ų5578.7 Ų78.721%0.20840%0.398CS..Hα-helixtrans-71.7-37.4174.1-75.4-178.4-71.7120.6-0.9111.3L163 S164 A165 P166 L171 A172 V182L163-R168 HydrophobicContact CB-CG 3.56Å; L163-R168 HydrophobicContact CD1-CG 3.96Å; L163-R168 HydrophobicContact CG-CG 4.42Å; S164-R168 VanDerWaalsContact O-CG 3.31Å; S164-R168 WeakPolarHBondContact O-CG 3.37Å; S164-R168 PolarHBondContact O-NE 2.77Å; A165-R168 WeakPolarHBondContact O-CB 3.34Å; A165-R168 PolarHBondContact O-N 3.43Å; P166-R168 VanDerWaalsContact C-N 3.29Å; P166-R168 PolarHBondContact O-N 2.88Å; R168-L171 PolarHBondContact O-N 3.33Å; R168-A172 WeakPolarHBondContact O-CB 3.35Å; R168-A172 PolarHBondContact O-N 3.28Å; R168-V182 HydrophobicContact CB-CG1 4.37Å; R168-V182 HydrophobicContact CG-CG1 4.05Å
169D98.5Very high98.1Very high78 Ų7871.9 Ų71.942%0.41737%0.373SS..Hα-helixtrans-68.4-41179-58.4-36.6000110.8A165 P166 A172 S173 S179A165-D169 PolarHBondContact O-N 2.96Å; P166-D169 PolarHBondContact O-N 2.87Å; D169-A172 PolarHBondContact O-N 2.9Å; D169-S173 PolarHBondContact O-N 3.39Å; D169-S179 WeakPolarHBondContact OD1-CB 3.23Å; D169-S179 PolarHBondContact OD1-OG 3.36Å
170Q98.4Very high98.2Very high131 Ų13170.4 Ų70.461%0.61237%0.372SS*.Hα-helixtrans-61.3-49.1171.2-72.6175.7-22.500112.4P166 A172 S173 V174P166-Q170 WeakPolarHBondContact O-CG 3.45Å; P166-Q170 PolarHBondContact O-N 3.13Å; Q170-A172 VanDerWaalsContact C-N 3.29Å; Q170-A172 PolarHBondContact O-N 3.13Å; Q170-S173 PolarHBondContact O-N 3.24Å; Q170-S173 PolarHBondContact O-OG 3.39Å; Q170-V174 WeakPolarHBondContact O-CG2 3.46Å; Q170-V174 PolarHBondContact O-N 3.44Å
171L98.3Very high98.2Very high19 Ų1971.1 Ų71.110%0.09938%0.375CS..Hα-helixtrans-66.3-34.1179.2-172.363.1000112.1L153 R156 L163 E167 R168 L175 V182 F186L153-L171 HydrophobicContact CD2-CD2 4Å; R156-L171 HydrophobicContact CB-CD2 4.22Å; R156-L171 HydrophobicContact CG-CD2 4.05Å; L163-L171 HydrophobicContact CD1-CD2 3.81Å; E167-L171 WeakPolarHBondContact O-CB 3.22Å; E167-L171 PolarHBondContact O-N 2.97Å; R168-L171 PolarHBondContact O-N 3.33Å; L171-L175 HydrophobicContact CD1-CD1 3.88Å; L171-L175 HydrophobicContact CD1-CG 4.17Å; L171-L175 HydrophobicContact CG-CD1 3.99Å; L171-L175 HydrophobicContact CG-CG 4.49Å; L171-L175 WeakPolarHBondContact O-CB 3.45Å; L171-L175 WeakPolarHBondContact O-CG 3.18Å; L171-L175 PolarHBondContact O-N 3.47Å; L171-L175 VanDerWaalsContact O-N 3.13Å; L171-V182 HydrophobicContact CD2-CG1 3.99Å; L171-F186 HydrophobicContact CD2-CE2 3.86Å; L171-F186 HydrophobicContact CD2-CZ 4.17Å
172A98.5Very high98.2Very high4 Ų466 Ų663%0.03336%0.356CS..Hα-helixtrans-63.3-43.7175.600000111.9R168 D169 Q170 L175 K176 L177 V182R168-A172 WeakPolarHBondContact O-CB 3.35Å; R168-A172 PolarHBondContact O-N 3.28Å; D169-A172 PolarHBondContact O-N 2.9Å; Q170-A172 VanDerWaalsContact C-N 3.29Å; Q170-A172 PolarHBondContact O-N 3.13Å; A172-L175 PolarHBondContact O-N 3.26Å; A172-K176 PolarHBondContact O-N 2.95Å; A172-L177 CarbonylContact C-O 3.52Å; A172-L177 WeakPolarHBondContact CB-O 3.36Å; A172-L177 PolarHBondContact O-N 2.9Å; A172-L177 VanDerWaalsContact O-O 3.13Å; A172-V182 HydrophobicContact CB-CG2 4Å
173S98.3Very high98.2Very high86 Ų8664.4 Ų64.460%0.60135%0.352SS*.Hα-helixtrans-64.4-44.8178.571.60000112.3D169 Q170 L175 K176D169-S173 PolarHBondContact O-N 3.39Å; Q170-S173 PolarHBondContact O-N 3.24Å; Q170-S173 PolarHBondContact O-OG 3.39Å; S173-L175 PolarHBondContact O-N 3.35Å; S173-K176 PolarHBondContact O-N 2.75Å
174V97.8Very high98.2Very high109 Ų10966.9 Ų66.966%0.66137%0.365SS*.Hα-helixtrans-61.3-42.9178175.70000111.8Q170Q170-V174 WeakPolarHBondContact O-CG2 3.46Å; Q170-V174 PolarHBondContact O-N 3.44Å
175L97.6Very high98.2Very high16 Ų1665.9 Ų65.98%0.08435%0.353CS..Hα-helixtrans-88.70.9-176.2-58.6-176000114.4Q149 E152 L153 L171 A172 S173 L177Q149-L175 HydrophobicContact CG-CB 4.47Å; Q149-L175 PolarHBondContact NE2-O 3.47Å; E152-L175 HydrophobicContact CB-CD1 4.2Å; E152-L175 HydrophobicContact CB-CD2 3.59Å; E152-L175 HydrophobicContact CG-CD2 4.08Å; L153-L175 HydrophobicContact CD2-CD1 3.85Å; L153-L175 HydrophobicContact CG-CD1 3.7Å; L171-L175 HydrophobicContact CD1-CD1 3.88Å; L171-L175 HydrophobicContact CD1-CG 4.17Å; L171-L175 HydrophobicContact CG-CD1 3.99Å; L171-L175 HydrophobicContact CG-CG 4.49Å; L171-L175 WeakPolarHBondContact O-CB 3.45Å; L171-L175 WeakPolarHBondContact O-CG 3.18Å; L171-L175 PolarHBondContact O-N 3.47Å; L171-L175 VanDerWaalsContact O-N 3.13Å; A172-L175 PolarHBondContact O-N 3.26Å; S173-L175 PolarHBondContact O-N 3.35Å; L175-L177 HydrophobicContact CB-CD1 4.16Å; L175-L177 HydrophobicContact CB-CG 4.15Å; L175-L177 PolarHBondContact O-N 3.42Å
176K98.3Very high98.2Very high192 Ų19263.7 Ų63.784%0.83533%0.334SS*.THydrogen-bonded Turntrans53.142.7-173.3-54.9-177.9-177.8179.10112.1A172 S173A172-K176 PolarHBondContact O-N 2.95Å; S173-K176 PolarHBondContact O-N 2.75Å
177L97.6Very high98.2Very high24 Ų2462.5 Ų62.513%0.12632%0.322CS..  trans-114.9172.2175.7-66.2179.9000110F145 L153 A172 L175 Q181 V182F145-L177 HydrophobicContact CD1-CD1 4.24Å; F145-L177 HydrophobicContact CD1-CD2 3.74Å; F145-L177 HydrophobicContact CE1-CD1 4.21Å; F145-L177 HydrophobicContact CE1-CD2 3.68Å; L153-L177 HydrophobicContact CD1-CD1 4.22Å; A172-L177 CarbonylContact C-O 3.52Å; A172-L177 WeakPolarHBondContact CB-O 3.36Å; A172-L177 PolarHBondContact O-N 2.9Å; A172-L177 VanDerWaalsContact O-O 3.13Å; L175-L177 HydrophobicContact CB-CD1 4.16Å; L175-L177 HydrophobicContact CB-CG 4.15Å; L175-L177 PolarHBondContact O-N 3.42Å; L177-Q181 HydrophobicContact CB-CB 4.49Å; L177-V182 HydrophobicContact CB-CG2 4.36Å
178T98.3Very high98.2Very high73 Ų7365 Ų6545%0.44834%0.336SS..  trans-90.6149.4167.8620000111.2T180 Q181 V182T178-T180 PolarHBondContact O-N 3.17Å; T178-Q181 WeakPolarHBondContact O-CA 3.46Å; T178-Q181 WeakPolarHBondContact O-CB 3.15Å; T178-Q181 PolarHBondContact O-N 3.2Å; T178-Q181 WeakPolarHBondContact OG1-CG 3.44Å; T178-Q181 PolarHBondContact OG1-N 3.38Å; T178-Q181 PolarHBondContact OG1-OE1 3Å; T178-V182 PolarHBondContact O-N 3.47Å
179S98Very high98.2Very high33 Ų3365.4 Ų65.423%0.23134%0.338CS..Hα-helixtrans-57.5-25.5175.8-37.50000113.1D169 K183D169-S179 WeakPolarHBondContact OD1-CB 3.23Å; D169-S179 PolarHBondContact OD1-OG 3.36Å; S179-K183 VanDerWaalsContact O-CB 3.31Å; S179-K183 WeakPolarHBondContact O-CB 3.49Å; S179-K183 PolarHBondContact O-N 2.95Å
180T98.3Very high98.2Very high90 Ų9064.1 Ų64.155%0.55233%0.327SS*.Hα-helixtrans-72.8-42.1172.4-60.10000112.2T178 K183 I184T178-T180 PolarHBondContact O-N 3.17Å; T180-K183 WeakPolarHBondContact O-CB 3.39Å; T180-K183 PolarHBondContact O-N 2.76Å; T180-I184 HydrophobicContact CG2-CD1 3.94Å; T180-I184 WeakPolarHBondContact O-CB 3.31Å; T180-I184 VanDerWaalsContact O-CG1 3.28Å; T180-I184 WeakPolarHBondContact O-CG1 3.28Å; T180-I184 PolarHBondContact O-N 2.7Å
181Q98.1Very high98.2Very high67 Ų6764 Ų6431%0.31332%0.322SS..Hα-helixtrans-62.2-43.3172.4-77.9161.2-49.900111.2F145 L177 T178 I184 W185F145-Q181 HydrophobicContact CE1-CB 4.26Å; F145-Q181 HydrophobicContact CE1-CG 4.27Å; F145-Q181 HydrophobicContact CZ-CB 3.95Å; F145-Q181 HydrophobicContact CZ-CG 4.17Å; L177-Q181 HydrophobicContact CB-CB 4.49Å; T178-Q181 WeakPolarHBondContact O-CA 3.46Å; T178-Q181 WeakPolarHBondContact O-CB 3.15Å; T178-Q181 PolarHBondContact O-N 3.2Å; T178-Q181 WeakPolarHBondContact OG1-CG 3.44Å; T178-Q181 PolarHBondContact OG1-N 3.38Å; T178-Q181 PolarHBondContact OG1-OE1 3Å; Q181-I184 PolarHBondContact O-N 3.49Å; Q181-W185 WeakPolarHBondContact O-CB 3.43Å; Q181-W185 PolarHBondContact O-N 3.21Å
182V98.5Very high98Very high0 Ų069.7 Ų69.70%035%0.346CS..Hα-helixtrans-60-47.2173.7179.50000110.7L153 L163 R168 L171 A172 L177 T178 I184 W185 F186L153-V182 HydrophobicContact CD2-CG1 4.37Å; L163-V182 HydrophobicContact CD1-CG1 4.26Å; R168-V182 HydrophobicContact CB-CG1 4.37Å; R168-V182 HydrophobicContact CG-CG1 4.05Å; L171-V182 HydrophobicContact CD2-CG1 3.99Å; A172-V182 HydrophobicContact CB-CG2 4Å; L177-V182 HydrophobicContact CB-CG2 4.36Å; T178-V182 PolarHBondContact O-N 3.47Å; V182-I184 PolarHBondContact O-N 3.14Å; V182-W185 PolarHBondContact O-N 2.83Å; V182-F186 HydrophobicContact CG1-CD2 3.82Å; V182-F186 HydrophobicContact CG1-CE2 3.96Å; V182-F186 WeakPolarHBondContact O-CD2 3.5Å; V182-F186 PolarHBondContact O-N 2.98Å
183K98.3Very high97.8Very high120 Ų12070.6 Ų70.652%0.52235%0.352SS..Hα-helixtrans-55.3-48.9175.7-174.5-172.7-178.2-177.60112.2S179 T180 Q187S179-K183 VanDerWaalsContact O-CB 3.31Å; S179-K183 WeakPolarHBondContact O-CB 3.49Å; S179-K183 PolarHBondContact O-N 2.95Å; T180-K183 WeakPolarHBondContact O-CB 3.39Å; T180-K183 PolarHBondContact O-N 2.76Å; K183-Q187 WeakPolarHBondContact O-CB 3.46Å; K183-Q187 PolarHBondContact O-N 3Å
184I98.3Very high97.6Very high77 Ų7771.9 Ų71.940%0.39535%0.347SS..Hα-helixtrans-64.6-44.3180-69.3166.9000110.6T180 Q181 V182 Q187 N188T180-I184 HydrophobicContact CG2-CD1 3.94Å; T180-I184 WeakPolarHBondContact O-CB 3.31Å; T180-I184 VanDerWaalsContact O-CG1 3.28Å; T180-I184 WeakPolarHBondContact O-CG1 3.28Å; T180-I184 PolarHBondContact O-N 2.7Å; Q181-I184 PolarHBondContact O-N 3.49Å; V182-I184 PolarHBondContact O-N 3.14Å; I184-Q187 PolarHBondContact O-N 3.3Å; I184-N188 WeakPolarHBondContact O-CB 3.39Å; I184-N188 VanDerWaalsContact O-CG 3.24Å; I184-N188 PolarHBondContact O-N 3.13Å
185W98.3Very high97.5Very high31 Ų3174.2 Ų74.212%0.11734%0.343CS..Hα-helixtrans-62.8-46.3178.8-171.999.7000111.6F145 L153 E154 F157 Q181 V182 Q187 N188 R189F145-W185 AromaticContact CD2-CD1 3.78Å; F145-W185 HydrophobicContact CE2-CB 4.28Å; F145-W185 AromaticContact CE2-CD1 3.73Å; F145-W185 HydrophobicContact CE2-CG 4.35Å; L153-W185 HydrophobicContact CB-CD2 3.9Å; L153-W185 HydrophobicContact CB-CE3 3.85Å; L153-W185 HydrophobicContact CB-CH2 3.69Å; L153-W185 HydrophobicContact CB-CZ2 3.71Å; L153-W185 HydrophobicContact CB-CZ3 3.76Å; L153-W185 HydrophobicContact CD1-CD2 3.89Å; L153-W185 HydrophobicContact CD1-CE3 4.5Å; L153-W185 HydrophobicContact CD1-CG 3.86Å; L153-W185 HydrophobicContact CD2-CD2 4.37Å; L153-W185 HydrophobicContact CD2-CE3 4.21Å; L153-W185 HydrophobicContact CG-CD2 4.27Å; L153-W185 HydrophobicContact CG-CE3 4.41Å; L153-W185 WeakPolarHBondContact O-CZ3 3.34Å; E154-W185 HydrophobicContact CB-CH2 4.42Å; E154-W185 HydrophobicContact CG-CH2 3.71Å; E154-W185 HydrophobicContact CG-CZ2 3.73Å; F157-W185 HydrophobicContact CB-CH2 4.29Å; F157-W185 HydrophobicContact CB-CZ3 4.03Å; F157-W185 HydrophobicContact CD2-CZ3 4.41Å; F157-W185 HydrophobicContact CG-CZ3 4.37Å; Q181-W185 WeakPolarHBondContact O-CB 3.43Å; Q181-W185 PolarHBondContact O-N 3.21Å; V182-W185 PolarHBondContact O-N 2.83Å; W185-Q187 VanDerWaalsContact C-N 3.3Å; W185-Q187 PolarHBondContact O-N 3.3Å; W185-N188 PolarHBondContact O-N 3.02Å; W185-R189 HydrophobicContact CE3-CB 4.09Å; W185-R189 HydrophobicContact CH2-CB 4.07Å; W185-R189 HydrophobicContact CH2-CG 3.8Å; W185-R189 HydrophobicContact CZ3-CB 3.8Å; W185-R189 HydrophobicContact CZ3-CG 3.88Å; W185-R189 WeakPolarHBondContact O-CB 3.49Å; W185-R189 PolarHBondContact O-N 3.04Å
186F98.6Very high97.1Very high5 Ų578.4 Ų78.42%0.02236%0.363CS..Hα-helixtrans-63.2-35.4176.4-90.8-105.2000112.5L153 R156 F157 Q160 L163 L171 V182 R190L153-F186 HydrophobicContact CD2-CD2 4.42Å; L153-F186 HydrophobicContact CD2-CE2 3.89Å; R156-F186 HydrophobicContact CB-CZ 4.39Å; R156-F186 HydrophobicContact CG-CZ 4.33Å; F157-F186 HydrophobicContact CB-CE1 4.15Å; F157-F186 HydrophobicContact CB-CZ 4.28Å; F157-F186 AromaticContact CD2-CD1 3.78Å; F157-F186 HydrophobicContact CD2-CD1 3.78Å; F157-F186 AromaticContact CD2-CE1 3.8Å; F157-F186 HydrophobicContact CD2-CE1 3.8Å; F157-F186 HydrophobicContact CE2-CD1 4.45Å; F157-F186 HydrophobicContact CG-CE1 4.49Å; Q160-F186 WeakPolarHBondContact O-CE1 3.49Å; L163-F186 HydrophobicContact CD1-CD1 4.29Å; L163-F186 HydrophobicContact CD1-CD2 4.24Å; L163-F186 HydrophobicContact CD1-CE1 3.76Å; L163-F186 HydrophobicContact CD1-CE2 3.71Å; L163-F186 HydrophobicContact CD1-CZ 3.46Å; L163-F186 VanDerWaalsContact CD1-CZ 3.46Å; L163-F186 HydrophobicContact CD2-CE1 4.33Å; L163-F186 HydrophobicContact CG-CD1 4.1Å; L163-F186 HydrophobicContact CG-CE1 3.67Å; L163-F186 HydrophobicContact CG-CZ 3.91Å; L171-F186 HydrophobicContact CD2-CE2 3.86Å; L171-F186 HydrophobicContact CD2-CZ 4.17Å; V182-F186 HydrophobicContact CG1-CD2 3.82Å; V182-F186 HydrophobicContact CG1-CE2 3.96Å; V182-F186 WeakPolarHBondContact O-CD2 3.5Å; V182-F186 PolarHBondContact O-N 2.98Å; F186-R190 WeakPolarHBondContact O-CG 3.24Å; F186-R190 PolarHBondContact O-N 2.95Å; F186-R190 PolarHBondContact O-NE 3.05Å
187Q98.4Very high96.4Very high57 Ų5777.8 Ų77.827%0.26636%0.355SS..Hα-helixtrans-65.7-48.6174.2-172.262.556.500111.3K183 I184 W185 R189 R190 Y191K183-Q187 WeakPolarHBondContact O-CB 3.46Å; K183-Q187 PolarHBondContact O-N 3Å; I184-Q187 PolarHBondContact O-N 3.3Å; W185-Q187 VanDerWaalsContact C-N 3.3Å; W185-Q187 PolarHBondContact O-N 3.3Å; Q187-R189 VanDerWaalsContact C-N 3.34Å; Q187-R189 PolarHBondContact O-N 2.72Å; Q187-R190 PolarHBondContact O-N 3.26Å; Q187-Y191 HydrophobicContact CG-CD2 3.97Å; Q187-Y191 HydrophobicContact CG-CE2 3.57Å; Q187-Y191 VanDerWaalsContact NE2-CZ 3.31Å; Q187-Y191 VanDerWaalsContact O-CD2 3.23Å; Q187-Y191 WeakPolarHBondContact O-CD2 3.41Å; Q187-Y191 PolarHBondContact O-N 3.01Å
188N98.1Very high95.8Very high97 Ų9781.7 Ų81.752%0.51937%0.373SS..Hα-helixtrans-61.5-40.9176.5-69.3-11.1000111.9I184 W185 Y191 K192I184-N188 WeakPolarHBondContact O-CB 3.39Å; I184-N188 VanDerWaalsContact O-CG 3.24Å; I184-N188 PolarHBondContact O-N 3.13Å; W185-N188 PolarHBondContact O-N 3.02Å; N188-Y191 PolarHBondContact O-N 3.5Å; N188-K192 PolarHBondContact O-N 2.86Å
189R98.1Very high95Very high65 Ų6581 Ų8125%0.24537%0.367CS..Hα-helixtrans-64.3-41.6177.4-172.369.5-161-169.8-2.9112E154 F157 W185 Q187 K192 C193E154-R189 IonicContact OE1-CZ 2.72Å; E154-R189 IonicContact OE1-NH1 2.75Å; E154-R189 PolarHBondContact OE1-NH1 3.38Å; E154-R189 IonicContact OE1-NH2 3.39Å; F157-R189 HydrophobicContact CD1-CG 3.65Å; F157-R189 HydrophobicContact CD2-CB 4.24Å; F157-R189 HydrophobicContact CD2-CG 3.76Å; F157-R189 HydrophobicContact CE1-CG 3.58Å; F157-R189 HydrophobicContact CE2-CB 4.08Å; F157-R189 HydrophobicContact CE2-CG 3.71Å; F157-R189 HydrophobicContact CG-CG 3.74Å; F157-R189 HydrophobicContact CZ-CB 4.32Å; F157-R189 HydrophobicContact CZ-CG 3.61Å; W185-R189 HydrophobicContact CE3-CB 4.09Å; W185-R189 HydrophobicContact CH2-CB 4.07Å; W185-R189 HydrophobicContact CH2-CG 3.8Å; W185-R189 HydrophobicContact CZ3-CB 3.8Å; W185-R189 HydrophobicContact CZ3-CG 3.88Å; W185-R189 WeakPolarHBondContact O-CB 3.49Å; W185-R189 PolarHBondContact O-N 3.04Å; Q187-R189 VanDerWaalsContact C-N 3.34Å; Q187-R189 PolarHBondContact O-N 2.72Å; R189-K192 PolarHBondContact O-N 2.7Å; R189-C193 PolarHBondContact O-N 2.96Å; R189-C193 VanDerWaalsContact O-N 3.14Å
190R98.1Very high94.1Very high51 Ų5185.1 Ų85.119%0.19238%0.382CS..Hα-helixtrans-62.4-44.5172.3-77.2-174.5-77.6122.32.6112F157 R161 Y162 F186 Q187 C193 K194F157-R190 HydrophobicContact CE2-CG 3.82Å; F157-R190 HydrophobicContact CZ-CG 4.12Å; R161-R190 WeakPolarHBondContact O-CD 3.36Å; Y162-R190 VanDerWaalsContact CE1-CD 3.43Å; Y162-R190 VanDerWaalsContact CZ-CD 3.41Å; F186-R190 WeakPolarHBondContact O-CG 3.24Å; F186-R190 PolarHBondContact O-N 2.95Å; F186-R190 PolarHBondContact O-NE 3.05Å; Q187-R190 PolarHBondContact O-N 3.26Å; R190-C193 PolarHBondContact O-N 3.49Å; R190-K194 PolarHBondContact O-N 3.41Å
191Y97.8Very high93Very high129 Ų12985 Ų8551%0.50638%0.381SS..Hα-helixtrans-61.5-43.5175.9-76.9-56.6000112.6Q187 N188 C193 K194 R195Q187-Y191 HydrophobicContact CG-CD2 3.97Å; Q187-Y191 HydrophobicContact CG-CE2 3.57Å; Q187-Y191 VanDerWaalsContact NE2-CZ 3.31Å; Q187-Y191 VanDerWaalsContact O-CD2 3.23Å; Q187-Y191 WeakPolarHBondContact O-CD2 3.41Å; Q187-Y191 PolarHBondContact O-N 3.01Å; N188-Y191 PolarHBondContact O-N 3.5Å; Y191-C193 PolarHBondContact O-N 2.89Å; Y191-K194 PolarHBondContact O-N 3.41Å; Y191-K194 VanDerWaalsContact O-N 3.13Å; Y191-R195 PolarHBondContact O-N 3.48Å
192K95.8Very high91.5Very high137 Ų13787 Ų8760%0.59639%0.393SS*.Hα-helixtrans-59.2-46.6177-171.1176.1179.9179.50111.8N188 R189 K194 R195 Q196N188-K192 PolarHBondContact O-N 2.86Å; R189-K192 PolarHBondContact O-N 2.7Å; K192-K194 VanDerWaalsContact C-N 3.34Å; K192-K194 PolarHBondContact O-N 3.13Å; K192-R195 PolarHBondContact O-N 3.08Å; K192-Q196 WeakPolarHBondContact O-CB 3.38Å; K192-Q196 PolarHBondContact O-N 3.49Å
193C93.9Very high89.9Confident23 Ų2394.9 Ų94.916%0.15543%0.43CS..Hα-helixtrans-60.8-39.6173.8-82.20000113.2R161 R189 R190 Y191 R197R161-C193 VanDerWaalsContact NH2-CB 3.28Å; R189-C193 PolarHBondContact O-N 2.96Å; R189-C193 VanDerWaalsContact O-N 3.14Å; R190-C193 PolarHBondContact O-N 3.49Å; Y191-C193 PolarHBondContact O-N 2.89Å; C193-R197 PolarHBondContact O-N 3.41Å
194K94.4Very high88.2Confident114 Ų11496.5 Ų96.550%0.49644%0.444SS..Hα-helixtrans-64.1-47.3178.4-169.8-173.972.3165.80110.7R190 Y191 K192 R197 Q198R190-K194 PolarHBondContact O-N 3.41Å; Y191-K194 PolarHBondContact O-N 3.41Å; Y191-K194 VanDerWaalsContact O-N 3.13Å; K192-K194 VanDerWaalsContact C-N 3.34Å; K192-K194 PolarHBondContact O-N 3.13Å; K194-R197 PolarHBondContact O-N 3.48Å; K194-Q198 WeakPolarHBondContact O-CG 3.27Å; K194-Q198 PolarHBondContact O-N 2.94Å
195R93.9Very high86.5Confident157 Ų15797.2 Ų97.259%0.59245%0.452SS*.Hα-helixtrans-64-45.2-179.4-159.1-177.3-174.4-83.68.1111.4Y191 K192 R197 Q198 D199Y191-R195 PolarHBondContact O-N 3.48Å; K192-R195 PolarHBondContact O-N 3.08Å; R195-R197 VanDerWaalsContact C-N 3.26Å; R195-R197 PolarHBondContact O-N 3.11Å; R195-Q198 WeakPolarHBondContact O-CB 3.4Å; R195-Q198 PolarHBondContact O-N 3.34Å; R195-D199 IonicContact CZ-OD1 3.75Å; R195-D199 IonicContact CZ-OD2 2.62Å; R195-D199 IonicContact NH1-OD1 3.78Å; R195-D199 PolarHBondContact NH1-OD1 2.75Å; R195-D199 IonicContact NH1-OD2 3.35Å; R195-D199 PolarHBondContact NH1-OD2 3.06Å; R195-D199 WeakPolarHBondContact O-CB 3.44Å; R195-D199 PolarHBondContact O-N 2.99Å
196Q90.6Very high84.5Confident104 Ų10498.8 Ų98.849%0.48648%0.477SS..Hα-helixtrans-57.5-35.7177.7-171.7173.313.600113.2K192 Q200K192-Q196 WeakPolarHBondContact O-CB 3.38Å; K192-Q196 PolarHBondContact O-N 3.49Å; Q196-Q200 WeakPolarHBondContact O-CB 3.36Å; Q196-Q200 VanDerWaalsContact O-CG 3.24Å; Q196-Q200 WeakPolarHBondContact O-CG 3.37Å; Q196-Q200 PolarHBondContact O-N 2.95Å
197R84.1Confident82.8Confident180 Ų180104.2 Ų104.268%0.67951%0.506SS*.Hα-helixtrans-69.5-39.6173.6-71.7-177.5177.7-166.7-3.5112.7C193 K194 R195 Q200 T201C193-R197 PolarHBondContact O-N 3.41Å; K194-R197 PolarHBondContact O-N 3.48Å; R195-R197 VanDerWaalsContact C-N 3.26Å; R195-R197 PolarHBondContact O-N 3.11Å; R197-Q200 PolarHBondContact O-N 3.28Å; R197-T201 PolarHBondContact O-N 3.36Å; R197-T201 PolarHBondContact O-OG1 2.97Å
198Q84.2Confident81.1Confident105 Ų105106.5 Ų106.549%0.49153%0.526SS..Hα-helixtrans-67.6-44.5177.7-68.3175.8-22.400111.4K194 R195 Q200 T201 L202K194-Q198 WeakPolarHBondContact O-CG 3.27Å; K194-Q198 PolarHBondContact O-N 2.94Å; R195-Q198 WeakPolarHBondContact O-CB 3.4Å; R195-Q198 PolarHBondContact O-N 3.34Å; Q198-Q200 VanDerWaalsContact C-N 3.35Å; Q198-Q200 PolarHBondContact O-N 3.47Å; Q198-T201 PolarHBondContact O-N 2.94Å; Q198-L202 PolarHBondContact O-N 3.48Å
199D81.9Confident79.6Confident60 Ų60107.3 Ų107.332%0.32154%0.536SS..Hα-helixtrans-60.5-44.3175.4-58.9-21.4000109.9R195 T201 L202 E203R195-D199 IonicContact CZ-OD1 3.75Å; R195-D199 IonicContact CZ-OD2 2.62Å; R195-D199 IonicContact NH1-OD1 3.78Å; R195-D199 PolarHBondContact NH1-OD1 2.75Å; R195-D199 IonicContact NH1-OD2 3.35Å; R195-D199 PolarHBondContact NH1-OD2 3.06Å; R195-D199 WeakPolarHBondContact O-CB 3.44Å; R195-D199 PolarHBondContact O-N 2.99Å; D199-T201 PolarHBondContact O-N 3.33Å; D199-L202 PolarHBondContact O-N 2.92Å; D199-E203 WeakPolarHBondContact O-CG 3.47Å; D199-E203 PolarHBondContact O-N 2.99Å; D199-E203 VanDerWaalsContact O-N 3.11Å
200Q79.1Confident78.1Confident118 Ų118109.6 Ų109.655%0.55156%0.56SS**Hα-helixtrans-62.9-36.6174.1-79.9176.8-23.300114.3Q196 R197 Q198 L202 L204Q196-Q200 WeakPolarHBondContact O-CB 3.36Å; Q196-Q200 VanDerWaalsContact O-CG 3.24Å; Q196-Q200 WeakPolarHBondContact O-CG 3.37Å; Q196-Q200 PolarHBondContact O-N 2.95Å; R197-Q200 PolarHBondContact O-N 3.28Å; Q198-Q200 VanDerWaalsContact C-N 3.35Å; Q198-Q200 PolarHBondContact O-N 3.47Å; Q200-L202 VanDerWaalsContact C-N 3.35Å; Q200-L204 WeakPolarHBondContact O-CB 3.38Å; Q200-L204 PolarHBondContact O-N 3.29Å
201T74.4Confident76.8Confident89 Ų89112.6 Ų112.655%0.54659%0.585SS.*Hα-helixtrans-66.1-37.3174.5-65.20000111.6R197 Q198 D199 V205R197-T201 PolarHBondContact O-N 3.36Å; R197-T201 PolarHBondContact O-OG1 2.97Å; Q198-T201 PolarHBondContact O-N 2.94Å; D199-T201 PolarHBondContact O-N 3.33Å; T201-V205 HydrophobicContact CG2-CG2 4.39Å; T201-V205 WeakPolarHBondContact O-CG2 3.42Å; T201-V205 PolarHBondContact O-N 3.45Å
202L66.6Low75.5Confident108 Ų108111.8 Ų111.857%0.56560%0.596SS**Hα-helixtrans-66.3-44.9176.9-74.7165.1000112Q198 D199 Q200 V205Q198-L202 PolarHBondContact O-N 3.48Å; D199-L202 PolarHBondContact O-N 2.92Å; Q200-L202 VanDerWaalsContact C-N 3.35Å; L202-V205 PolarHBondContact O-N 3.22Å
203E64.9Low74.2Confident165 Ų165110.5 Ų110.577%0.77160%0.602SS**Hα-helixtrans-61.2-45176.1-65.5-75.5143.700111.9D199 V205 G206D199-E203 WeakPolarHBondContact O-CG 3.47Å; D199-E203 PolarHBondContact O-N 2.99Å; D199-E203 VanDerWaalsContact O-N 3.11Å; E203-V205 VanDerWaalsContact C-N 3.34Å; E203-V205 PolarHBondContact O-N 3.05Å; E203-G206 PolarHBondContact O-N 3.49Å
204L62.5Low72.9Confident155 Ų155114.7 Ų114.781%0.81263%0.629SS**Hα-helixtrans-71.1-25.5-176.4-174.461.5000113.8Q200 G206Q200-L204 WeakPolarHBondContact O-CB 3.38Å; Q200-L204 PolarHBondContact O-N 3.29Å; L204-G206 PolarHBondContact O-N 3.42Å
205V63.4Low71.4Confident92 Ų92113.7 Ų113.756%0.55864%0.641SS**THydrogen-bonded Turntrans-82.5-3.6178178.90000111.6T201 L202 E203 L207T201-V205 HydrophobicContact CG2-CG2 4.39Å; T201-V205 WeakPolarHBondContact O-CG2 3.42Å; T201-V205 PolarHBondContact O-N 3.45Å; L202-V205 PolarHBondContact O-N 3.22Å; E203-V205 VanDerWaalsContact C-N 3.34Å; E203-V205 PolarHBondContact O-N 3.05Å; V205-L207 HydrophobicContact CG1-CD1 3.89Å; V205-L207 HydrophobicContact CG1-CG 4.04Å; V205-L207 PolarHBondContact O-N 2.96Å
206G55.3Low69.8Low63 Ų63116.9 Ų116.965%0.64965%0.654SS**THydrogen-bonded Turntrans64.512.7170.600000114.8E203 L204E203-G206 PolarHBondContact O-N 3.49Å; L204-G206 PolarHBondContact O-N 3.42Å
207L63.9Low68.4Low119 Ų119123.5 Ų123.562%0.62367%0.674SS**PPolyproline II helixtrans-70125.7174.8-73167.4000108.1V205V205-L207 HydrophobicContact CG1-CD1 3.89Å; V205-L207 HydrophobicContact CG1-CG 4.04Å; V205-L207 PolarHBondContact O-N 2.96Å
208P61.7Low67.4Low106 Ų106121.8 Ų121.869%0.68868%0.677SS**PPolyproline II helixtrans-57.6143.7177.224.8-33.5000109.2
209P66.6Low66.1Low114 Ų114121 Ų12174%0.7469%0.688SS**PPolyproline II helixtrans-53.8132.6177.923.2-33.4000108.6
210P67.2Low65.4Low113 Ų113123.7 Ų123.773%0.73471%0.707SS**PPolyproline II helixtrans-55.5136.2-178.322.9-33.2000108.7
211P70.3Confident64.5Low113 Ų113123.3 Ų123.373%0.73471%0.714SS**PPolyproline II helixtrans-53.5138.8-176.822.1-33.2000109.1
212P69.8Low64Low113 Ų113124.9 Ų124.973%0.73472%0.724SS**PPolyproline II helixtrans-53.4130.5-176.622.3-33.2000108.4P214P212-P214 VanDerWaalsContact O-N 3.17Å
213P69.3Low63.7Low110 Ų110127.8 Ų127.871%0.71474%0.739SS**PPolyproline II helixtrans-53.9129.7-177.922-32.8000107.9A215P213-A215 PolarHBondContact O-N 3.11Å; P213-A215 VanDerWaalsContact O-N 3.08Å
214P67.8Low63.7Low111 Ų111123.8 Ų123.872%0.72173%0.725SS**PPolyproline II helixtrans-52.2124.6-170.320.8-33.5000107.9P212 R216P212-P214 VanDerWaalsContact O-N 3.17Å; P214-R216 VanDerWaalsContact C-N 3.33Å; P214-R216 WeakPolarHBondContact O-CG 3.3Å; P214-R216 PolarHBondContact O-N 3.07Å
215A60.8Low63Low92 Ų92127 Ų12776%0.7673%0.727SS**  trans-53.396.8-163.100000110.1P213 R217P213-A215 PolarHBondContact O-N 3.11Å; P213-A215 VanDerWaalsContact O-N 3.08Å; A215-R217 PolarHBondContact O-N 3.23Å
216R61.5Low62.6Low225 Ų225129.3 Ų129.385%0.84974%0.736SS**  trans-69.390.7179.9-71.9-170.2176.3-138.7-1.2105.7P214 I218P214-R216 VanDerWaalsContact C-N 3.33Å; P214-R216 WeakPolarHBondContact O-CG 3.3Å; P214-R216 PolarHBondContact O-N 3.07Å; R216-I218 PolarHBondContact O-N 3.34Å
217R61.3Low62.6Low242 Ų242129.5 Ų129.591%0.91374%0.738SS**  trans-61.387.2168.4-71.3-174.5174.6-141.90.5106.3A215 A219A215-R217 PolarHBondContact O-N 3.23Å; R217-A219 VanDerWaalsContact C-N 3.27Å; R217-A219 PolarHBondContact O-N 2.9Å
218I61.9Low62.3Low144 Ų144132.4 Ų132.474%0.73875%0.745SS**  trans-62.6101.5166.4-61174.3000104R216 V220R216-I218 PolarHBondContact O-N 3.34Å; I218-V220 VanDerWaalsContact C-N 3.29Å; I218-V220 PolarHBondContact O-N 2.9Å
219A57.7Low61.6Low88 Ų88132.3 Ų132.373%0.72775%0.745SS**  trans-61.1100.9168.900000106R217 P221R217-A219 VanDerWaalsContact C-N 3.27Å; R217-A219 PolarHBondContact O-N 2.9Å; A219-P221 WeakPolarHBondContact O-CD 3.49Å; A219-P221 VanDerWaalsContact O-N 3.14Å
220V66.4Low60.9Low117 Ų117133.1 Ų133.171%0.70975%0.752SS**  trans-63.7113.4170.5177.50000104.9I218 V222I218-V220 VanDerWaalsContact C-N 3.29Å; I218-V220 PolarHBondContact O-N 2.9Å; V220-V222 PolarHBondContact O-N 3.02Å
221P60.4Low60.3Low110 Ų110135.3 Ų135.371%0.71476%0.757SS**  trans-62113.8176.225.6-31.9000106.6A219 L223A219-P221 WeakPolarHBondContact O-CD 3.49Å; A219-P221 VanDerWaalsContact O-N 3.14Å; P221-L223 PolarHBondContact O-N 3.03Å
222V65Low59.1Low123 Ų123133.1 Ų133.175%0.74575%0.754SS**  trans-57.4117.6170.3176.10000105.4V220 V224V220-V222 PolarHBondContact O-N 3.02Å; V222-V224 WeakPolarHBondContact O-CG2 3.2Å; V222-V224 PolarHBondContact O-N 3.38Å
223L61Low58Low169 Ų169136.1 Ų136.189%0.88576%0.764SS**  trans-65.390.5173.4-87.3160.5000107.4P221 R225P221-L223 PolarHBondContact O-N 3.03Å; L223-R225 PolarHBondContact O-N 3.31Å
224V62.8Low56.8Low80 Ų80136.1 Ų136.149%0.48577%0.766SS.*  trans-62.5111176.5-170.40000106.9V222V222-V224 WeakPolarHBondContact O-CG2 3.2Å; V222-V224 PolarHBondContact O-N 3.38Å
225R49.2Very low55.8Low223 Ų223135.3 Ų135.384%0.84277%0.769SS**SBendtrans-85.4119.7163.2-166.3155.9176.6105-2.4106.1L223L223-R225 PolarHBondContact O-N 3.31Å
226D54Low55.2Low141 Ų141137.5 Ų137.575%0.75478%0.776SS**SBendtrans65.642173.7-45.8-43.7000116.5K228D226-K228 PolarHBondContact O-N 3.49Å; D226-K228 VanDerWaalsContact O-N 3.08Å
227G56Low54.1Low66 Ų66136.8 Ų136.868%0.6877%0.774SS**SBendtrans73.41.9150.300000119.2
228K57Low53.6Low180 Ų180129.3 Ų129.378%0.78376%0.764SS**  trans-120.5119.3-179.1-73-179.3176.9178.40113D226 C230D226-K228 PolarHBondContact O-N 3.49Å; D226-K228 VanDerWaalsContact O-N 3.08Å; K228-C230 PolarHBondContact O-N 2.99Å
229P47.4Very low52.8Low105 Ų105126.5 Ų126.568%0.68276%0.756SS**  trans-68117.7165.8-13.428.3000109.5L231P229-L231 PolarHBondContact O-N 3.32Å
230C51.1Low52.2Low131 Ų131127.3 Ų127.389%0.88576%0.762SS**  trans-76.969.117056.80000110.6K228K228-C230 PolarHBondContact O-N 2.99Å
231L56.6Low51Low159 Ų159130.2 Ų130.283%0.83276%0.762SS**  trans-80.9112.3159.2-70.8175.5000107P229P229-L231 PolarHBondContact O-N 3.32Å
232G43.7Very low50.7Low66 Ų66129.1 Ų129.168%0.6877%0.77SS**  trans-69.3148.4177.600000111.8S234G232-S234 PolarHBondContact O-N 3.2Å; G232-S234 VanDerWaalsContact O-N 3.13Å
233D47.2Very low49.7Very low177 Ų177129.1 Ų129.195%0.94777%0.77SS**  trans-62.8108.4-179.1-63.2-78000112.7
234S44.1Very low48.9Very low109 Ų109124.2 Ų124.276%0.76276%0.761SS**  trans-152.6102.1157.866.70000111.7G232G232-S234 PolarHBondContact O-N 3.2Å; G232-S234 VanDerWaalsContact O-N 3.13Å
235A46.3Very low48.2Very low94 Ų94128.9 Ų128.978%0.77778%0.782SS**  trans31.4136.7156.400000121.4Y237A235-Y237 PolarHBondContact O-N 3.27Å
236P47.7Very low47.7Very low138 Ų138125.5 Ų125.590%0.89678%0.781SS**  trans-76.8107.4176.532.2-33.5000112.1
237Y38.5Very low47.2Very low210 Ų210123.6 Ų123.682%0.82478%0.784SS**  trans-103.4106.5157.2-170.2-95000109.2A235 P239A235-Y237 PolarHBondContact O-N 3.27Å; Y237-P239 WeakPolarHBondContact O-CD 3.49Å
238A51.8Low46.5Very low85 Ų85131.5 Ų131.570%0.70280%0.795SS**  trans-77.7121.1175.900000110.2A240A238-A240 PolarHBondContact O-N 3.41Å
239P43.9Very low45.7Very low86 Ų86126.1 Ų126.156%0.55879%0.79SS**  trans-77111.8169.230.3-30.7000109.6Y237 Y241Y237-P239 WeakPolarHBondContact O-CD 3.49Å; P239-Y241 HydrophobicContact CB-CD1 4.25Å; P239-Y241 HydrophobicContact CB-CE1 3.78Å; P239-Y241 PolarHBondContact O-N 3.11Å
240A46.1Very low45.3Very low105 Ų105131.4 Ų131.487%0.86880%0.798SS**  trans-75.487.1171.800000110.9A238A238-A240 PolarHBondContact O-N 3.41Å
241Y42.1Very low45.1Very low178 Ų178131.9 Ų131.970%0.69879%0.792SS**  trans-151.5115.9153.649.4-91.8000110.7P239 V243P239-Y241 HydrophobicContact CB-CD1 4.25Å; P239-Y241 HydrophobicContact CB-CE1 3.78Å; P239-Y241 PolarHBondContact O-N 3.11Å; Y241-V243 HydrophobicContact CD2-CG2 4.23Å; Y241-V243 PolarHBondContact O-N 3.39Å
242G54Low44.5Very low86 Ų86128.9 Ų128.989%0.88779%0.79SS**  trans-74.4115.9169.600000110
243V43.7Very low44.6Very low124 Ų124136.3 Ų136.375%0.75280%0.799SS**  trans-117.5115.4161.6177.60000106.4Y241Y241-V243 HydrophobicContact CD2-CG2 4.23Å; Y241-V243 PolarHBondContact O-N 3.39Å
244G43.3Very low44.8Very low66 Ų66133.3 Ų133.368%0.6879%0.789SS**  trans-62.4145.1-170.500000113.1N246G244-N246 PolarHBondContact O-N 2.99Å
245L48.4Very low44.7Very low177 Ų177132.8 Ų132.893%0.92779%0.792SS**  trans-58.9107.3160.6-92.568.4000108.5
246N37.9Very low44.4Very low153 Ų153138.9 Ų138.982%0.81880%0.796SS**  trans-113.4116.1152-91.4-39000107.7G244 Y248G244-N246 PolarHBondContact O-N 2.99Å; N246-Y248 PolarHBondContact O-N 2.75Å
247A43.7Very low44.7Very low100 Ų100138.2 Ų138.283%0.82679%0.792SS**  trans-58.8136.6171.500000109G249A247-G249 PolarHBondContact O-N 3.03Å
248Y41.3Very low45Very low233 Ų233131.5 Ų131.591%0.91479%0.786SS**  trans-62.4102-176.3-83.5-90000111.6N246 Y250N246-Y248 PolarHBondContact O-N 2.75Å; Y248-Y250 PolarHBondContact O-N 3.25Å
249G41.2Very low44.4Very low66 Ų66138.9 Ų138.968%0.6880%0.798SS**  trans-63.6102.1160.200000109.3A247 N251A247-G249 PolarHBondContact O-N 3.03Å; G249-N251 VanDerWaalsContact C-N 3.26Å; G249-N251 PolarHBondContact O-N 3.21Å
250Y39.6Very low44.7Very low217 Ų217138.8 Ų138.885%0.85181%0.812SS**SBendtrans-73.980175.3-168.8-86.3000109.2Y248Y248-Y250 PolarHBondContact O-N 3.25Å
251N47.1Very low44.4Very low141 Ų141137.3 Ų137.375%0.75481%0.807SS**  trans162.687.5155.5-86.2-39.9000110.4G249G249-N251 VanDerWaalsContact C-N 3.26Å; G249-N251 PolarHBondContact O-N 3.21Å
252A44Very low44.3Very low96 Ų96134 Ų13479%0.79382%0.816SS**  trans-145.782.1167.900000109.6
253Y45.1Very low43.6Very low221 Ų221134.6 Ų134.687%0.86781%0.813SS**PPolyproline II helixtrans-81135.9166.1-88.5-90.9000109.2A255Y253-A255 PolarHBondContact O-N 3.09Å
254P51.4Low43.5Very low114 Ų114134.7 Ų134.774%0.7482%0.818SS**PPolyproline II helixtrans-70.1125.4170.729.2-32.3000109.3Y256P254-Y256 PolarHBondContact O-N 3.21Å
255A41.6Very low43.6Very low98 Ų98136.9 Ų136.981%0.8182%0.823SS**PPolyproline II helixtrans-71.9123.5175.200000110.2Y253Y253-A255 PolarHBondContact O-N 3.09Å
256Y41Very low43.7Very low223 Ų223134.5 Ų134.588%0.87582%0.818SS**PPolyproline II helixtrans-70.4130.4166.8-100.1-96.5000109.6P254P254-Y256 PolarHBondContact O-N 3.21Å
257P53.4Low43.8Very low124 Ų124130.5 Ų130.581%0.80581%0.813SS**PPolyproline II helixtrans-78.7124.8174.130.8-31.8000110.3
258G43.6Very low43.5Very low68 Ų68136.6 Ų136.670%0.70182%0.816SS**  trans107.183.3166.700000115.7
259Y40.6Very low43.3Very low241 Ų241130.7 Ų130.795%0.94581%0.809SS**  -165.4138112-115.8-87.9000108.4
260G50.3Low43Very low83 Ų83133.7 Ų133.786%0.85682%0.818SS**  trans-72.7133.8-174.800000112.8
261G38.4Very low42.8Very low75 Ų75129.9 Ų129.977%0.77382%0.818SS**  trans-170.2130.4174.800000110.6
262A41.3Very low42.3Very low107 Ų107127.3 Ų127.388%0.88482%0.816SS**  trans-56.8138.4-167.100000114.6C264A262-C264 PolarHBondContact O-N 3.49Å
263A38.4Very low42Very low100 Ų100127.2 Ų127.283%0.82682%0.815SS**  trans-72.4120.6173.300000111.2
264C41.3Very low41.7Very low126 Ų126126.8 Ų126.885%0.85181%0.813SS**  trans-92.6109.8168.954.70000110.7A262A262-C264 PolarHBondContact O-N 3.49Å
265S46.1Very low41.6Very low111 Ų111127.3 Ų127.378%0.77682%0.817SS**  trans-78143.3169.7-66.70000111.3G267S265-G267 PolarHBondContact O-N 3.41Å
266P51.1Low41.5Very low127 Ų127129.5 Ų129.583%0.82582%0.82SS**  trans-85.1101.617632.8-31.3000110.8
267G38.5Very low41.5Very low70 Ų70122.1 Ų122.172%0.72281%0.812SS**  trans-125.2104173.100000111.1S265 S269S265-G267 PolarHBondContact O-N 3.41Å; G267-S269 PolarHBondContact O-N 3.03Å
268Y39.2Very low41.4Very low228 Ų228122.6 Ų122.689%0.89482%0.815SS**  trans-79.3116.1172.5-71.5-89.9000110.2
269S36.2Very low41.4Very low109 Ų109124.9 Ų124.976%0.76282%0.821SS**  trans-149.2119.6154.854.80000109.8G267G267-S269 PolarHBondContact O-N 3.03Å
270C33.9Very low41.8Very low128 Ų128119 Ų11987%0.86581%0.812SS**  trans-102.5106.3179.9-61.80000109.5
271T37.2Very low41.2Very low138 Ų138119.8 Ų119.885%0.84781%0.811SS**  trans-118.7105.2161.941.60000108.7A273T271-A273 PolarHBondContact O-N 3.24Å
272A36Very low41.3Very low86 Ų86125 Ų12571%0.71182%0.815SS**  trans-79.9113.4177.300000109.8
273A37.1Very low41.7Very low95 Ų95126.1 Ų126.179%0.78581%0.813SS**PPolyproline II helixtrans-98.6122.1167.700000109.4T271T271-A273 PolarHBondContact O-N 3.24Å
274Y39.4Very low41.4Very low211 Ų211125.4 Ų125.483%0.82781%0.807SS**PPolyproline II helixtrans-81131.9179.1-17.3-93.3000110.1
275P49Very low41.2Very low125 Ų125126.1 Ų126.181%0.81281%0.808SS**PPolyproline II helixtrans-77.8133.1166.530.9-31.2000110.4
276T40.1Very low40.5Very low144 Ų144126 Ų12688%0.88381%0.813SS**PPolyproline II helixtrans-71.5138.5178.234.20000112.3
277G41Very low39.6Very low69 Ų69124.7 Ų124.771%0.71181%0.813SS**PPolyproline II helixtrans-84.7157.7172.500000113
278P50.3Low39.5Very low133 Ų133125.6 Ų125.686%0.86481%0.814SS**PPolyproline II helixtrans-81.7148.4178.633.2-34.3000112.9
279S42.8Very low39.4Very low117 Ų117121.3 Ų121.382%0.81881%0.807SS**PPolyproline II helixtrans-87.2146.1177.7-176.30000112.3
280P49.4Very low39.6Very low117 Ų117122.5 Ų122.576%0.7680%0.804SS**  trans-110140.6160.335.6-26.5000112.5
281A37.4Very low39.8Very low100 Ų100122.6 Ų122.683%0.82680%0.796SS**  trans-84.7156.1173.900000112.7
282Q40.6Very low39.8Very low185 Ų185124.6 Ų124.686%0.86479%0.794SS**  trans-119161.8157.9-63.4-161.6-42.500109.1
283P49.6Very low40.2Very low129 Ų129124.9 Ų124.984%0.83879%0.787SS**  -148.8-177.890.238-19.7000116.1
284A34Very low40.2Very low86 Ų86127.6 Ų127.671%0.71179%0.788SS**  trans95.988.8157.500000120.7
285T36Very low40Very low140 Ų140126.4 Ų126.486%0.85979%0.787SS**  35.1122.1126.1580000122.1
286A32.5Very low39.6Very low108 Ų108123.8 Ų123.889%0.89378%0.783SS**  -168.6159123.600000112.7
287A32.2Very low39.4Very low100 Ų100124.1 Ų124.183%0.82679%0.785SS**  trans-74.7168-163.300000119
288A36.3Very low39.1Very low90 Ų90123.9 Ų123.974%0.74478%0.783SS**  trans109.2122.2136.200000121.1
289N35.9Very low38.6Very low137 Ų137125.3 Ų125.373%0.73378%0.783SS**  trans85.4110.8142.6-77.4-20.8000123.1
290N40.6Very low38.4Very low134 Ų134127.5 Ų127.572%0.71779%0.785SS**  72.8145.6129.8-63.8-32.9000120.8
291N38.7Very low37.7Very low130 Ų130129 Ų12970%0.69579%0.786SS**  cis-171148-27-155.5-5.7000108.4
292F36.3Very low37.7Very low180 Ų180128.6 Ų128.679%0.78978%0.783SS**  trans60.9145.5158.9-114.4-133000118.8
293V45.9Very low37.7Very low93 Ų93126.5 Ų126.556%0.56478%0.782SS**  cis-146.1151.6-3.6-131.90000109.7F295V293-F295 HydrophobicContact CB-CD2 4.49Å; V293-F295 HydrophobicContact CG1-CD2 4.15Å; V293-F295 HydrophobicContact CG1-CE2 3.9Å
294N36.4Very low37Very low152 Ų152128.8 Ų128.881%0.81378%0.782SS**  trans-118.7139.2162.4-175.821000108.3
295F33.9Very low37.1Very low185 Ų185130 Ų13081%0.81179%0.785SS**  trans-129.7116.4173-93.8-80000109.9V293V293-F295 HydrophobicContact CB-CD2 4.49Å; V293-F295 HydrophobicContact CG1-CD2 4.15Å; V293-F295 HydrophobicContact CG1-CE2 3.9Å
296G41.6Very low37.9Very low71 Ų71129.2 Ų129.273%0.73278%0.782SS**  trans-133.3129.3168.100000110
297V36.4Very low37.8Very low150 Ų150127.4 Ų127.491%0.90977%0.774SS**  trans-155.3139.2165.5-174.20000104.3
298G34.3Very low38.2Very low65 Ų65130.7 Ų130.767%0.6778%0.776SS**  cis169.4155.5-2.500000108.2
299D38.7Very low38.9Very low163 Ų163132.2 Ų132.287%0.87278%0.778SS**  trans-57.7149177.2-82.8-88000113.7
300L39.1Very low39.3Very low163 Ų163135.1 Ų135.185%0.85379%0.787SS**  trans180115.8135.5-98.7169.5000109.4
301N35.1Very low39.2Very low149 Ų149134.3 Ų134.380%0.79779%0.792SS**  159137.9101.1-149.5-11.9000111.1
302A36.5Very low39.1Very low90 Ų90135.2 Ų135.274%0.74480%0.797SS**  trans-127.3130.2-17900000110.9
303V41.3Very low39.4Very low141 Ų141131.5 Ų131.586%0.85579%0.793SS**  trans-133.6136.7170.11600000108.7
304Q35Very low39.2Very low177 Ų177130.9 Ų130.983%0.82781%0.806SS**  trans-98.2131.3-171.8-67.6176.2-10.300112.8
305S36.5Very low39.4Very low111 Ų111129.8 Ų129.878%0.77680%0.804SS**  trans64167.1134-60.30000119.9
306P52.5Low39.9Very low125 Ų125126.6 Ų126.681%0.81281%0.805SS**  cis-132159.21.838.6-21.8000117.5
307G30.8Very low40.1Very low69 Ų69128.2 Ų128.271%0.71180%0.801SS**  trans89115.8130.300000121.1
308I40.2Very low40.8Very low170 Ų170129 Ų12987%0.87280%0.799SS**  175.3146.4127.7-93166.6000108.6
309P51.6Low41.7Very low122 Ų122134 Ų13479%0.79280%0.804SS**  trans-96.5174-149.637.1-36.6000117
310Q44.4Very low42Very low198 Ų198129.4 Ų129.493%0.92580%0.796SS**  trans-49146.2178.8-61.4173.3-20.800115.2
311S37.1Very low42.1Very low116 Ų116129.6 Ų129.681%0.81180%0.796SS**  trans-149.3136.4144.159.90000112.9
312N38Very low42.9Very low150 Ų150132.9 Ų132.980%0.80280%0.797SS**  trans4798164.4-78.5-15.3000121.3
313S41.4Very low43.1Very low101 Ų101133.2 Ų133.271%0.70680%0.8SS**  2117.1119.630.50000116.8
314G41.3Very low43.6Very low80 Ų80140.8 Ų140.883%0.82581%0.813SS**  trans-70.7132.7173.800000112.9
315V42.6Very low44Very low129 Ų129139 Ų13978%0.78281%0.813SS**  trans-116.796.9165.9-1660000107.4T317V315-T317 PolarHBondContact O-N 3.4Å
316S42.6Very low44.4Very low119 Ų119140.5 Ų140.583%0.83282%0.815SS**  trans-67.6100-179.7-75.20000111.1L318S316-L318 PolarHBondContact O-N 3.43Å; S316-L318 VanDerWaalsContact O-N 3.07Å
317T47.6Very low44Very low104 Ų104141.3 Ų141.364%0.63882%0.815SS**  trans-72.1102.1177.6-47.80000110.9V315 H319V315-T317 PolarHBondContact O-N 3.4Å; T317-H319 VanDerWaalsContact C-N 3.29Å; T317-H319 WeakPolarHBondContact CG2-CE1 3.32Å; T317-H319 PolarHBondContact O-N 3.31Å; T317-H319 PolarHBondContact O-ND1 3.48Å
318L49.8Very low44.7Very low167 Ų167145.6 Ų145.687%0.87482%0.821SS**  trans-5980.8174.6-92.1161.8000112.7S316S316-L318 PolarHBondContact O-N 3.43Å; S316-L318 VanDerWaalsContact O-N 3.07Å
319H53.2Low45Very low170 Ų170144.1 Ų144.179%0.78782%0.818SS**  trans-85.6116.3166.9-73.990000109.8T317T317-H319 VanDerWaalsContact C-N 3.29Å; T317-H319 WeakPolarHBondContact CG2-CE1 3.32Å; T317-H319 PolarHBondContact O-N 3.31Å; T317-H319 PolarHBondContact O-ND1 3.48Å
320G44.8Very low44.6Very low67 Ų67145.5 Ų145.569%0.69182%0.819SS**  trans142.710157.400000120R322G320-R322 PolarHBondContact O-N 3.43Å
321I42.3Very low44.6Very low166 Ų166141.8 Ų141.885%0.85181%0.812SS**  trans-77.781.4169-51.6-178.5000109.5A323I321-A323 PolarHBondContact O-N 2.65Å
322R51.6Low45.2Very low219 Ų219143.8 Ų143.883%0.82681%0.812SS**  trans-83.4100.4162.1-78.7179171.5-106.2-0.3108.4G320G320-R322 PolarHBondContact O-N 3.43Å
323A41.4Very low45.8Very low97 Ų97143.3 Ų143.380%0.80281%0.813SS**  trans-57.5143.6167.200000110.7I321I321-A323 PolarHBondContact O-N 2.65Å
324W50.5Low46.2Very low300 Ų300147.1 Ų147.1100%1.13682%0.822SS**  trans-116.90174.2-7781.7000109.5

Retrieved 324 of 324 residues in 98.7 ms (Link to these results)