A0A077Z033_TRITR Loading...

CUE domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z033, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 373 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 low52.3Low245 Ų245137.7 Ų137.7100%1.20772%0.724SS**  0156.90-65.8174.484.200109.1S3M1-S3 PolarHBondContact O-N 3.34Å
2R38.9Very low54.7Low250 Ų250140.2 Ų140.294%0.94373%0.725SS**  trans-72.7107.9-165.8-65.5176177.4177.1-2.6112.6R4R2-R4 PolarHBondContact O-N 2.68Å
3S44.6Very low57Low116 Ų116135.7 Ų135.781%0.81170%0.699SS**  trans-76.9117.6164.6-165.50000109.1M1 S5M1-S3 PolarHBondContact O-N 3.34Å; S3-S5 PolarHBondContact O-N 2.79Å
4R46.9Very low59.2Low218 Ų218126.1 Ų126.182%0.82365%0.649SS**  trans-87.498.9176.2-80.3-178.6165-179.8-5.4109.3R2 K6R2-R4 PolarHBondContact O-N 2.68Å; R4-K6 PolarHBondContact O-N 3.37Å
5S50.1Low61.2Low117 Ų117120.6 Ų120.682%0.81862%0.62SS**  trans-63.5102165.3-30.10000108.8S3S3-S5 PolarHBondContact O-N 2.79Å
6K50.3Low63Low169 Ų169120.2 Ų120.274%0.73562%0.615SS**  trans-97.4127.6173.8-59176.7-176.2177.60108.6R4R4-K6 PolarHBondContact O-N 3.37Å
7S57.7Low64.6Low51 Ų51116.9 Ų116.936%0.35760%0.599SS.*  trans163-36.6150.252.10000113.2L9 V41 E42S7-L9 VanDerWaalsContact C-N 3.31Å; S7-L9 PolarHBondContact O-N 3.43Å; S7-V41 WeakPolarHBondContact O-CG2 3.38Å; S7-E42 VanDerWaalsContact CA-OE1 3.27Å; S7-E42 WeakPolarHBondContact CA-OE1 3.47Å; S7-E42 VanDerWaalsContact CB-CD 3.48Å; S7-E42 WeakPolarHBondContact CB-OE1 3.38Å; S7-E42 WeakPolarHBondContact CB-OE2 3.36Å
8C53.3Low66.1Low114 Ų114110.5 Ų110.577%0.7757%0.566SS**  trans-79.968.6-172.859.80000114.1
9L60Low67.3Low80 Ų80112.3 Ų112.342%0.41957%0.57SS.*  trans-62.7143.5159.9-64.9177.2000109.3S7 Q13 A14 V41S7-L9 VanDerWaalsContact C-N 3.31Å; S7-L9 PolarHBondContact O-N 3.43Å; L9-Q13 HydrophobicContact CD2-CG 4.48Å; L9-A14 HydrophobicContact CB-CB 4.21Å; L9-V41 HydrophobicContact CB-CG2 4.06Å; L9-V41 HydrophobicContact CD1-CG1 4.37Å; L9-V41 HydrophobicContact CD1-CG2 4.22Å; L9-V41 HydrophobicContact CG-CG2 4.31Å
10S65.5Low68.4Low77 Ų77110.5 Ų110.554%0.53857%0.573SS.*  trans-61.5141.117164.10000109.1F12 Q13 A14S10-F12 PolarHBondContact O-N 3.03Å; S10-Q13 WeakPolarHBondContact O-CA 3.33Å; S10-Q13 WeakPolarHBondContact O-CB 3.34Å; S10-Q13 PolarHBondContact O-N 3.3Å; S10-Q13 VanDerWaalsContact OG-CB 3.32Å; S10-Q13 WeakPolarHBondContact OG-CB 3.11Å; S10-A14 PolarHBondContact O-N 3.05Å
11S69.6Low69.3Low78 Ų78109.5 Ų109.555%0.54557%0.566SS.*Hα-helixtrans-51.4-37.7-174.6178.10000112.8A14 M15S11-A14 PolarHBondContact O-N 2.86Å; S11-M15 WeakPolarHBondContact O-CB 3.12Å; S11-M15 WeakPolarHBondContact O-CG 3.29Å; S11-M15 PolarHBondContact O-N 3.08Å
12F81.3Confident71.7Confident167 Ų16798.4 Ų98.473%0.73251%0.511SS*.Hα-helixtrans-65.1-42.2174.2-171.8-94.9000113.5S10 M15 Q16S10-F12 PolarHBondContact O-N 3.03Å; F12-M15 PolarHBondContact O-N 2.87Å; F12-Q16 PolarHBondContact O-N 3.47Å; F12-Q16 VanDerWaalsContact O-N 3.08Å
13Q84.8Confident74.1Confident82 Ų8291.8 Ų91.838%0.38350%0.501SS..Hα-helixtrans-68.5-39.4176.9-171.760.975.800111.7L9 S10 Q16 D17L9-Q13 HydrophobicContact CD2-CG 4.48Å; S10-Q13 WeakPolarHBondContact O-CA 3.33Å; S10-Q13 WeakPolarHBondContact O-CB 3.34Å; S10-Q13 PolarHBondContact O-N 3.3Å; S10-Q13 VanDerWaalsContact OG-CB 3.32Å; S10-Q13 WeakPolarHBondContact OG-CB 3.11Å; Q13-Q16 PolarHBondContact O-N 3.1Å; Q13-D17 WeakPolarHBondContact O-CB 3.3Å; Q13-D17 PolarHBondContact O-N 3.04Å
14A88.2Confident76.2Confident1 Ų190.7 Ų90.71%0.00849%0.493CS..Hα-helixtrans-61.9-46.3174.100000111.1L9 S10 S11 Q16 D17 F18 L34 V41L9-A14 HydrophobicContact CB-CB 4.21Å; S10-A14 PolarHBondContact O-N 3.05Å; S11-A14 PolarHBondContact O-N 2.86Å; A14-Q16 VanDerWaalsContact C-N 3.29Å; A14-Q16 PolarHBondContact O-N 3.04Å; A14-D17 PolarHBondContact O-N 3.37Å; A14-F18 HydrophobicContact CB-CD2 4.27Å; A14-F18 HydrophobicContact CB-CE2 3.91Å; A14-F18 WeakPolarHBondContact O-CB 3.23Å; A14-F18 WeakPolarHBondContact O-CD2 3.36Å; A14-F18 VanDerWaalsContact O-CG 3.31Å; A14-F18 WeakPolarHBondContact O-CG 3.25Å; A14-F18 PolarHBondContact O-N 3.46Å; A14-L34 HydrophobicContact CB-CD1 4.27Å; A14-L34 HydrophobicContact CB-CD2 4.31Å; A14-V41 HydrophobicContact CB-CG2 4.25Å
15M88.5Confident78.1Confident44 Ų4481.8 Ų81.822%0.21746%0.462CS..Hα-helixtrans-56.7-39.6173.6-80.3-66.7-65.100113.1S11 F12 K19 P27 I30 E31 L34S11-M15 WeakPolarHBondContact O-CB 3.12Å; S11-M15 WeakPolarHBondContact O-CG 3.29Å; S11-M15 PolarHBondContact O-N 3.08Å; F12-M15 PolarHBondContact O-N 2.87Å; M15-K19 VanDerWaalsContact O-CB 3.29Å; M15-K19 WeakPolarHBondContact O-CB 3.48Å; M15-K19 PolarHBondContact O-N 2.95Å; M15-K19 VanDerWaalsContact O-N 3.14Å; M15-P27 HydrophobicContact CE-CB 4.07Å; M15-I30 HydrophobicContact SD-CB 4.28Å; M15-I30 HydrophobicContact SD-CG2 3.64Å; M15-E31 HydrophobicContact CE-CB 4.17Å; M15-E31 HydrophobicContact SD-CB 3.96Å; M15-L34 HydrophobicContact CG-CD1 3.78Å; M15-L34 HydrophobicContact SD-CD1 3.7Å
16Q89.7Confident80.1Confident114 Ų11478.5 Ų78.553%0.53344%0.439SS..Hα-helixtrans-68.3-43.5176.8-170.7-178.329.700112.1F12 Q13 A14 K19 A20F12-Q16 PolarHBondContact O-N 3.47Å; F12-Q16 VanDerWaalsContact O-N 3.08Å; Q13-Q16 PolarHBondContact O-N 3.1Å; A14-Q16 VanDerWaalsContact C-N 3.29Å; A14-Q16 PolarHBondContact O-N 3.04Å; Q16-K19 PolarHBondContact O-N 3.48Å; Q16-A20 PolarHBondContact O-N 3.22Å
17D90.9Very high82Confident65 Ų6573.9 Ų73.935%0.34843%0.426SS..Hα-helixtrans-66.6-47.1-179.6-168.143.8000111.5Q13 A14 K19 A20 M21Q13-D17 WeakPolarHBondContact O-CB 3.3Å; Q13-D17 PolarHBondContact O-N 3.04Å; A14-D17 PolarHBondContact O-N 3.37Å; D17-K19 VanDerWaalsContact C-N 3.29Å; D17-K19 PolarHBondContact O-N 3.39Å; D17-A20 WeakPolarHBondContact O-CB 3.48Å; D17-A20 PolarHBondContact O-N 3.1Å; D17-M21 PolarHBondContact O-N 3.26Å; D17-M21 VanDerWaalsContact OD2-CE 3.31Å; D17-M21 WeakPolarHBondContact OD2-CE 3.29Å
18F91.5Very high83.7Confident1 Ų178.8 Ų78.80%0.00444%0.443CS..Hα-helixtrans-61-35.5174.1-66.7-45.9000113.2A14 A20 M21 F22 I30 L34 V41 T44 I45 L48A14-F18 HydrophobicContact CB-CD2 4.27Å; A14-F18 HydrophobicContact CB-CE2 3.91Å; A14-F18 WeakPolarHBondContact O-CB 3.23Å; A14-F18 WeakPolarHBondContact O-CD2 3.36Å; A14-F18 VanDerWaalsContact O-CG 3.31Å; A14-F18 WeakPolarHBondContact O-CG 3.25Å; A14-F18 PolarHBondContact O-N 3.46Å; F18-A20 VanDerWaalsContact C-N 3.27Å; F18-A20 PolarHBondContact O-N 3.01Å; F18-M21 HydrophobicContact CD1-CE 3.65Å; F18-M21 HydrophobicContact CE1-CE 3.98Å; F18-M21 PolarHBondContact O-N 3.38Å; F18-F22 HydrophobicContact CB-CD2 4.4Å; F18-F22 HydrophobicContact CD1-CD2 4.2Å; F18-F22 AromaticContact CD1-CE2 3.98Å; F18-F22 HydrophobicContact CD1-CE2 3.98Å; F18-F22 WeakPolarHBondContact O-CA 3.4Å; F18-F22 WeakPolarHBondContact O-CB 3.49Å; F18-F22 PolarHBondContact O-N 3.26Å; F18-I30 HydrophobicContact CB-CD1 4.04Å; F18-I30 HydrophobicContact CB-CG1 4.33Å; F18-I30 HydrophobicContact CB-CG2 3.43Å; F18-I30 VanDerWaalsContact CB-CG2 3.43Å; F18-I30 HydrophobicContact CD2-CG2 3.63Å; F18-I30 HydrophobicContact CG-CG2 3.85Å; F18-L34 HydrophobicContact CD2-CD1 3.97Å; F18-L34 HydrophobicContact CD2-CG 4.29Å; F18-L34 HydrophobicContact CE2-CD1 3.95Å; F18-L34 HydrophobicContact CE2-CD2 3.96Å; F18-L34 HydrophobicContact CE2-CG 3.87Å; F18-V41 HydrophobicContact CE1-CG1 4.37Å; F18-V41 HydrophobicContact CZ-CB 4.46Å; F18-V41 HydrophobicContact CZ-CG1 3.87Å; F18-T44 HydrophobicContact CD2-CG2 4.21Å; F18-T44 HydrophobicContact CE1-CG2 4.06Å; F18-T44 HydrophobicContact CE2-CG2 3.5Å; F18-T44 HydrophobicContact CZ-CG2 3.42Å; F18-T44 VanDerWaalsContact CZ-CG2 3.42Å; F18-I45 HydrophobicContact CE1-CG1 3.76Å; F18-I45 HydrophobicContact CZ-CG1 4.42Å; F18-L48 HydrophobicContact CB-CD1 4.13Å; F18-L48 HydrophobicContact CD1-CD1 3.53Å; F18-L48 HydrophobicContact CD2-CD1 4.26Å; F18-L48 HydrophobicContact CE1-CD1 3.95Å; F18-L48 HydrophobicContact CG-CD1 3.73Å; F18-L48 HydrophobicContact CZ-CD1 4.47Å
19K89.5Confident85.5Confident145 Ų14575.8 Ų75.863%0.6342%0.421SS*.Hα-helixtrans-66.6-29.4174.7-174.7176.6179.2-179.30112.5M15 Q16 D17M15-K19 VanDerWaalsContact O-CB 3.29Å; M15-K19 WeakPolarHBondContact O-CB 3.48Å; M15-K19 PolarHBondContact O-N 2.95Å; M15-K19 VanDerWaalsContact O-N 3.14Å; Q16-K19 PolarHBondContact O-N 3.48Å; D17-K19 VanDerWaalsContact C-N 3.29Å; D17-K19 PolarHBondContact O-N 3.39Å
20A89.1Confident87Confident76 Ų7672 Ų7263%0.62840%0.402SS*.Hα-helixtrans-79.3-40.517400000112.3Q16 D17 F18Q16-A20 PolarHBondContact O-N 3.22Å; D17-A20 WeakPolarHBondContact O-CB 3.48Å; D17-A20 PolarHBondContact O-N 3.1Å; F18-A20 VanDerWaalsContact C-N 3.27Å; F18-A20 PolarHBondContact O-N 3.01Å
21M86.4Confident88.2Confident89 Ų8971.9 Ų71.944%0.43839%0.393SS..Hα-helixtrans-73.9-34.2178.9-68.9-166.8-70.400113.7D17 F18 P23D17-M21 PolarHBondContact O-N 3.26Å; D17-M21 VanDerWaalsContact OD2-CE 3.31Å; D17-M21 WeakPolarHBondContact OD2-CE 3.29Å; F18-M21 HydrophobicContact CD1-CE 3.65Å; F18-M21 HydrophobicContact CE1-CE 3.98Å; F18-M21 PolarHBondContact O-N 3.38Å; M21-P23 VanDerWaalsContact C-CD 3.42Å; M21-P23 WeakPolarHBondContact O-CD 3.48Å
22F89.1Confident89.1Confident12 Ų1270.9 Ų70.95%0.05339%0.389CS..  trans-124.363.1-174.7-55.8-77.4000112.3F18 S24 L25 L48 L49 C52F18-F22 HydrophobicContact CB-CD2 4.4Å; F18-F22 HydrophobicContact CD1-CD2 4.2Å; F18-F22 AromaticContact CD1-CE2 3.98Å; F18-F22 HydrophobicContact CD1-CE2 3.98Å; F18-F22 WeakPolarHBondContact O-CA 3.4Å; F18-F22 WeakPolarHBondContact O-CB 3.49Å; F18-F22 PolarHBondContact O-N 3.26Å; F22-S24 PolarHBondContact O-N 2.84Å; F22-L25 HydrophobicContact CB-CB 4.05Å; F22-L25 HydrophobicContact CB-CD1 3.82Å; F22-L25 HydrophobicContact CB-CG 4.03Å; F22-L25 HydrophobicContact CD1-CD1 4.05Å; F22-L25 HydrophobicContact CG-CD1 3.99Å; F22-L25 PolarHBondContact O-N 2.95Å; F22-L48 HydrophobicContact CD1-CB 4.34Å; F22-L48 HydrophobicContact CD2-CB 3.95Å; F22-L48 HydrophobicContact CD2-CD1 3.78Å; F22-L48 HydrophobicContact CD2-CG 4.46Å; F22-L48 HydrophobicContact CE1-CB 3.99Å; F22-L48 HydrophobicContact CE2-CB 3.57Å; F22-L48 HydrophobicContact CE2-CD1 3.75Å; F22-L48 HydrophobicContact CE2-CG 4.32Å; F22-L48 HydrophobicContact CG-CB 4.32Å; F22-L48 HydrophobicContact CZ-CB 3.59Å; F22-L49 HydrophobicContact CE1-CD2 4.04Å; F22-L49 HydrophobicContact CE1-CG 4.34Å; F22-L49 HydrophobicContact CZ-CD2 4.15Å; F22-L49 HydrophobicContact CZ-CG 4.15Å; F22-C52 HydrophobicContact CD1-CB 3.94Å; F22-C52 HydrophobicContact CE1-CB 4.17Å
23P88.3Confident89.6Confident111 Ų11163.6 Ų63.672%0.72136%0.358SS*.THydrogen-bonded Turntrans-65-12-176.228-36.6000114.3M21M21-P23 VanDerWaalsContact C-CD 3.42Å; M21-P23 WeakPolarHBondContact O-CD 3.48Å
24S88.7Confident89.8Confident93 Ų9360 Ų6065%0.6534%0.341SS*.THydrogen-bonded Turntrans-90-14.4174.654.70000114.3F22F22-S24 PolarHBondContact O-N 2.84Å
25L88.7Confident89.9Confident32 Ų3268.1 Ų68.117%0.16837%0.372CS..SBendtrans-92.6142.2177.8-65.4-178.9000110.1F22 I30 L48 L51 C52F22-L25 HydrophobicContact CB-CB 4.05Å; F22-L25 HydrophobicContact CB-CD1 3.82Å; F22-L25 HydrophobicContact CB-CG 4.03Å; F22-L25 HydrophobicContact CD1-CD1 4.05Å; F22-L25 HydrophobicContact CG-CD1 3.99Å; F22-L25 PolarHBondContact O-N 2.95Å; L25-I30 HydrophobicContact CB-CD1 4.41Å; L25-I30 HydrophobicContact CB-CG1 4.31Å; L25-L48 HydrophobicContact CD1-CB 4.09Å; L25-L48 HydrophobicContact CD1-CD2 3.6Å; L25-L48 HydrophobicContact CD1-CG 4.4Å; L25-L51 HydrophobicContact CD1-CB 4.28Å; L25-L51 HydrophobicContact CD2-CB 4.21Å; L25-C52 HydrophobicContact CD1-CB 4.47Å
26S90.8Very high90Very high48 Ų4872.2 Ų72.234%0.33639%0.394SS..  trans-73148.5179.182.40000110.6E28 T29 I30S26-E28 PolarHBondContact O-N 3.42Å; S26-T29 PolarHBondContact O-N 2.85Å; S26-T29 PolarHBondContact OG-N 3.07Å; S26-T29 VanDerWaalsContact OG-N 3.11Å; S26-T29 PolarHBondContact OG-OG1 3.26Å; S26-I30 WeakPolarHBondContact O-CG1 3.47Å; S26-I30 PolarHBondContact O-N 2.83Å
27P91.4Very high89.9Confident72 Ų7267.9 Ų67.947%0.46837%0.374SS..Hα-helixtrans-60.6-29.8175.825.4-34.3000112M15 I30 E31M15-P27 HydrophobicContact CE-CB 4.07Å; P27-I30 PolarHBondContact O-N 3.35Å; P27-E31 WeakPolarHBondContact O-CB 3.42Å; P27-E31 PolarHBondContact O-N 3.23Å
28E91.5Very high89.6Confident154 Ų15472 Ų7272%0.7240%0.396SS*.Hα-helixtrans-65.7-39.2173.9-62.5175.8179.500112.3S26 A32S26-E28 PolarHBondContact O-N 3.42Å; E28-A32 VanDerWaalsContact O-CB 3.23Å; E28-A32 WeakPolarHBondContact O-CB 3.28Å; E28-A32 PolarHBondContact O-N 2.88Å
29T92.1Very high89.1Confident50 Ų5073.5 Ų73.531%0.30741%0.412SS..Hα-helixtrans-66.1-43.8173.9-57.10000111S26 A32 T33 L51S26-T29 PolarHBondContact O-N 2.85Å; S26-T29 PolarHBondContact OG-N 3.07Å; S26-T29 VanDerWaalsContact OG-N 3.11Å; S26-T29 PolarHBondContact OG-OG1 3.26Å; T29-A32 PolarHBondContact O-N 3.26Å; T29-T33 PolarHBondContact O-N 2.98Å; T29-T33 PolarHBondContact O-OG1 2.91Å; T29-T33 VanDerWaalsContact O-OG1 3.11Å; T29-L51 HydrophobicContact CG2-CD1 3.83Å
30I90.8Very high88.9Confident1 Ų170.4 Ų70.41%0.00540%0.402CS..Hα-helixtrans-61.2-46.3177-64.7166.4000110.6M15 F18 L25 S26 P27 T33 L34 L48M15-I30 HydrophobicContact SD-CB 4.28Å; M15-I30 HydrophobicContact SD-CG2 3.64Å; F18-I30 HydrophobicContact CB-CD1 4.04Å; F18-I30 HydrophobicContact CB-CG1 4.33Å; F18-I30 HydrophobicContact CB-CG2 3.43Å; F18-I30 VanDerWaalsContact CB-CG2 3.43Å; F18-I30 HydrophobicContact CD2-CG2 3.63Å; F18-I30 HydrophobicContact CG-CG2 3.85Å; L25-I30 HydrophobicContact CB-CD1 4.41Å; L25-I30 HydrophobicContact CB-CG1 4.31Å; S26-I30 WeakPolarHBondContact O-CG1 3.47Å; S26-I30 PolarHBondContact O-N 2.83Å; P27-I30 PolarHBondContact O-N 3.35Å; I30-T33 PolarHBondContact O-N 3.48Å; I30-L34 HydrophobicContact CG2-CD1 4.39Å; I30-L34 WeakPolarHBondContact O-CB 3.42Å; I30-L34 PolarHBondContact O-N 3.25Å; I30-L48 HydrophobicContact CG1-CD1 4.29Å; I30-L48 HydrophobicContact CG1-CD2 4.02Å; I30-L48 HydrophobicContact CG2-CD1 4.37Å
31E90.7Very high88.9Confident75 Ų7567.1 Ų67.135%0.3537%0.374SS..Hα-helixtrans-65.8-40.3177.9-168.3-178-173.900111.7M15 P27 T33 L34 R35M15-E31 HydrophobicContact CE-CB 4.17Å; M15-E31 HydrophobicContact SD-CB 3.96Å; P27-E31 WeakPolarHBondContact O-CB 3.42Å; P27-E31 PolarHBondContact O-N 3.23Å; E31-T33 PolarHBondContact O-N 2.98Å; E31-L34 PolarHBondContact O-N 3.36Å; E31-R35 VanDerWaalsContact CD-NH2 3.29Å; E31-R35 HydrophobicContact CG-CG 4.28Å; E31-R35 WeakPolarHBondContact O-CB 3.39Å; E31-R35 VanDerWaalsContact O-CG 3.28Å; E31-R35 WeakPolarHBondContact O-CG 3.49Å; E31-R35 PolarHBondContact O-N 3.14Å; E31-R35 IonicContact OE1-CZ 2.91Å; E31-R35 IonicContact OE1-NE 2.69Å; E31-R35 PolarHBondContact OE1-NE 3.33Å; E31-R35 IonicContact OE1-NH2 3.19Å; E31-R35 PolarHBondContact OE1-NH2 2.86Å; E31-R35 IonicContact OE2-NH2 2.86Å
32A89.6Confident89Confident57 Ų5766.7 Ų66.747%0.47137%0.371SS..Hα-helixtrans-60.1-44.6175.900000111.7E28 T29 R35 L36E28-A32 VanDerWaalsContact O-CB 3.23Å; E28-A32 WeakPolarHBondContact O-CB 3.28Å; E28-A32 PolarHBondContact O-N 2.88Å; T29-A32 PolarHBondContact O-N 3.26Å; A32-R35 PolarHBondContact O-N 3.26Å; A32-L36 VanDerWaalsContact O-CB 3.27Å; A32-L36 WeakPolarHBondContact O-CB 3.39Å; A32-L36 PolarHBondContact O-N 3.01Å
33T91.1Very high89Confident13 Ų1369.7 Ų69.78%0.0839%0.388CS..Hα-helixtrans-67.5-39.3176.2-54.80000112.1T29 I30 E31 L36 N37 T44 D47T29-T33 PolarHBondContact O-N 2.98Å; T29-T33 PolarHBondContact O-OG1 2.91Å; T29-T33 VanDerWaalsContact O-OG1 3.11Å; I30-T33 PolarHBondContact O-N 3.48Å; E31-T33 PolarHBondContact O-N 2.98Å; T33-L36 PolarHBondContact O-N 3.37Å; T33-N37 WeakPolarHBondContact O-CB 3.48Å; T33-N37 PolarHBondContact O-N 2.68Å; T33-N37 PolarHBondContact O-ND2 3.48Å; T33-N37 VanDerWaalsContact O-ND2 3.15Å; T33-T44 HydrophobicContact CG2-CG2 3.84Å; T33-D47 HydrophobicContact CG2-CB 3.49Å; T33-D47 VanDerWaalsContact CG2-CB 3.49Å
34L90Very high89.1Confident6 Ų664.4 Ų64.43%0.03135%0.353CS..Hα-helixtrans-60.8-45.9173.1-97.4169.6000112.1A14 M15 F18 I30 E31 N37 N38 G39 T44A14-L34 HydrophobicContact CB-CD1 4.27Å; A14-L34 HydrophobicContact CB-CD2 4.31Å; M15-L34 HydrophobicContact CG-CD1 3.78Å; M15-L34 HydrophobicContact SD-CD1 3.7Å; F18-L34 HydrophobicContact CD2-CD1 3.97Å; F18-L34 HydrophobicContact CD2-CG 4.29Å; F18-L34 HydrophobicContact CE2-CD1 3.95Å; F18-L34 HydrophobicContact CE2-CD2 3.96Å; F18-L34 HydrophobicContact CE2-CG 3.87Å; I30-L34 HydrophobicContact CG2-CD1 4.39Å; I30-L34 WeakPolarHBondContact O-CB 3.42Å; I30-L34 PolarHBondContact O-N 3.25Å; E31-L34 PolarHBondContact O-N 3.36Å; L34-N37 CarbonylContact O-C 3.57Å; L34-N37 PolarHBondContact O-N 3.29Å; L34-N38 PolarHBondContact O-N 2.89Å; L34-G39 PolarHBondContact O-N 3.39Å; L34-T44 HydrophobicContact CG-CG2 4.17Å
35R88.6Confident89.2Confident173 Ų17362.6 Ų62.665%0.65334%0.336SS*.Hα-helixtrans-64.5-42176.7-71.8175-178.7-168.24.7111.2E31 A32 N37 N38E31-R35 VanDerWaalsContact CD-NH2 3.29Å; E31-R35 HydrophobicContact CG-CG 4.28Å; E31-R35 WeakPolarHBondContact O-CB 3.39Å; E31-R35 VanDerWaalsContact O-CG 3.28Å; E31-R35 WeakPolarHBondContact O-CG 3.49Å; E31-R35 PolarHBondContact O-N 3.14Å; E31-R35 IonicContact OE1-CZ 2.91Å; E31-R35 IonicContact OE1-NE 2.69Å; E31-R35 PolarHBondContact OE1-NE 3.33Å; E31-R35 IonicContact OE1-NH2 3.19Å; E31-R35 PolarHBondContact OE1-NH2 2.86Å; E31-R35 IonicContact OE2-NH2 2.86Å; A32-R35 PolarHBondContact O-N 3.26Å; R35-N37 VanDerWaalsContact C-N 3.33Å; R35-N37 PolarHBondContact O-N 3.43Å; R35-N38 PolarHBondContact O-N 2.98Å
36L91.3Very high89.3Confident130 Ų13066.4 Ų66.468%0.68136%0.356SS*.Hα-helixtrans-61.3-40.6176.5-177.964.8000112.1A32 T33 N38A32-L36 VanDerWaalsContact O-CB 3.27Å; A32-L36 WeakPolarHBondContact O-CB 3.39Å; A32-L36 PolarHBondContact O-N 3.01Å; T33-L36 PolarHBondContact O-N 3.37Å; L36-N38 VanDerWaalsContact C-N 3.33Å; L36-N38 PolarHBondContact O-N 3.17Å
37N87.1Confident89.3Confident22 Ų2266.8 Ų66.812%0.11836%0.355CS..THydrogen-bonded Turntrans-89.915-179.9-76-63.1000114.3T33 L34 R35 G39 L40 N43 D47T33-N37 WeakPolarHBondContact O-CB 3.48Å; T33-N37 PolarHBondContact O-N 2.68Å; T33-N37 PolarHBondContact O-ND2 3.48Å; T33-N37 VanDerWaalsContact O-ND2 3.15Å; L34-N37 CarbonylContact O-C 3.57Å; L34-N37 PolarHBondContact O-N 3.29Å; R35-N37 VanDerWaalsContact C-N 3.33Å; R35-N37 PolarHBondContact O-N 3.43Å; N37-G39 PolarHBondContact O-N 3.49Å; N37-G39 VanDerWaalsContact O-N 3.13Å; N37-L40 VanDerWaalsContact O-CB 3.31Å; N37-L40 WeakPolarHBondContact O-CB 3.48Å; N37-L40 WeakPolarHBondContact O-CG 3.44Å; N37-L40 PolarHBondContact O-N 3Å; N37-N43 HydrophobicContact CB-CB 4.09Å; N37-N43 WeakPolarHBondContact OD1-CB 3.48Å; N37-N43 PolarHBondContact OD1-ND2 3.45Å; N37-D47 PolarHBondContact ND2-OD2 3.09Å
38N84.7Confident89.3Confident151 Ų15163.4 Ų63.481%0.80733%0.333SS*.THydrogen-bonded Turntrans52.531.8-179.4-60.1-56.8000114.2L34 R35 L36 L40L34-N38 PolarHBondContact O-N 2.89Å; R35-N38 PolarHBondContact O-N 2.98Å; L36-N38 VanDerWaalsContact C-N 3.33Å; L36-N38 PolarHBondContact O-N 3.17Å; N38-L40 VanDerWaalsContact C-N 3.34Å
39G81.6Confident89.3Confident33 Ų3360.6 Ų60.634%0.3432%0.322SS..THydrogen-bonded Turntrans796.7-176.800000115.6L34 N37 V41L34-G39 PolarHBondContact O-N 3.39Å; N37-G39 PolarHBondContact O-N 3.49Å; N37-G39 VanDerWaalsContact O-N 3.13Å; G39-V41 PolarHBondContact O-N 3.41Å
40L85.7Confident89.1Confident80 Ų8064.2 Ų64.242%0.41934%0.339SS..  trans-71112.3173.4-65.8175.2000110.3N37 N38 T44N37-L40 VanDerWaalsContact O-CB 3.31Å; N37-L40 WeakPolarHBondContact O-CB 3.48Å; N37-L40 WeakPolarHBondContact O-CG 3.44Å; N37-L40 PolarHBondContact O-N 3Å; N38-L40 VanDerWaalsContact C-N 3.34Å; L40-T44 WeakPolarHBondContact O-CB 3.2Å; L40-T44 PolarHBondContact O-N 3.24Å; L40-T44 PolarHBondContact O-OG1 3.45Å
41V88.4Confident88.7Confident8 Ų868.7 Ų68.75%0.04836%0.363CS..Hα-helixtrans-65.1-42.1-176.5175.40000110.8S7 L9 A14 F18 G39 T44 I45S7-V41 WeakPolarHBondContact O-CG2 3.38Å; L9-V41 HydrophobicContact CB-CG2 4.06Å; L9-V41 HydrophobicContact CD1-CG1 4.37Å; L9-V41 HydrophobicContact CD1-CG2 4.22Å; L9-V41 HydrophobicContact CG-CG2 4.31Å; A14-V41 HydrophobicContact CB-CG2 4.25Å; F18-V41 HydrophobicContact CE1-CG1 4.37Å; F18-V41 HydrophobicContact CZ-CB 4.46Å; F18-V41 HydrophobicContact CZ-CG1 3.87Å; G39-V41 PolarHBondContact O-N 3.41Å; V41-T44 CarbonylContact O-C 3.57Å; V41-T44 WeakPolarHBondContact O-CB 3.39Å; V41-T44 PolarHBondContact O-N 3.03Å; V41-I45 HydrophobicContact CG1-CD1 3.89Å; V41-I45 HydrophobicContact CG1-CG1 4.33Å; V41-I45 WeakPolarHBondContact O-CG1 3.21Å; V41-I45 PolarHBondContact O-N 2.8Å
42E88.6Confident88.3Confident79 Ų7967.6 Ų67.637%0.36936%0.363SS..Hα-helixtrans-60.4-53.9-176.8-67.971.9-162.600112.1S7 T44 I45 D46S7-E42 VanDerWaalsContact CA-OE1 3.27Å; S7-E42 WeakPolarHBondContact CA-OE1 3.47Å; S7-E42 VanDerWaalsContact CB-CD 3.48Å; S7-E42 WeakPolarHBondContact CB-OE1 3.38Å; S7-E42 WeakPolarHBondContact CB-OE2 3.36Å; E42-T44 PolarHBondContact O-N 2.93Å; E42-I45 WeakPolarHBondContact O-CB 3.36Å; E42-I45 PolarHBondContact O-N 2.88Å; E42-I45 VanDerWaalsContact O-N 3.11Å; E42-D46 PolarHBondContact O-N 2.77Å
43N88.9Confident87.5Confident75 Ų7567.4 Ų67.440%0.40136%0.358SS..Hα-helixtrans-60.3-37.6176.2-60.315.3000111.6N37 I45 D46 D47N37-N43 HydrophobicContact CB-CB 4.09Å; N37-N43 WeakPolarHBondContact OD1-CB 3.48Å; N37-N43 PolarHBondContact OD1-ND2 3.45Å; N43-I45 VanDerWaalsContact C-N 3.32Å; N43-I45 PolarHBondContact O-N 3.39Å; N43-D46 PolarHBondContact O-N 3.4Å; N43-D47 PolarHBondContact O-N 3.13Å; N43-D47 VanDerWaalsContact O-N 3.1Å
44T90.8Very high85.9Confident0 Ų071.4 Ų71.40%038%0.384CS..Hα-helixtrans-65.1-36.2177.7-57.60000111.5F18 T33 L34 L40 V41 E42 L48F18-T44 HydrophobicContact CD2-CG2 4.21Å; F18-T44 HydrophobicContact CE1-CG2 4.06Å; F18-T44 HydrophobicContact CE2-CG2 3.5Å; F18-T44 HydrophobicContact CZ-CG2 3.42Å; F18-T44 VanDerWaalsContact CZ-CG2 3.42Å; T33-T44 HydrophobicContact CG2-CG2 3.84Å; L34-T44 HydrophobicContact CG-CG2 4.17Å; L40-T44 WeakPolarHBondContact O-CB 3.2Å; L40-T44 PolarHBondContact O-N 3.24Å; L40-T44 PolarHBondContact O-OG1 3.45Å; V41-T44 CarbonylContact O-C 3.57Å; V41-T44 WeakPolarHBondContact O-CB 3.39Å; V41-T44 PolarHBondContact O-N 3.03Å; E42-T44 PolarHBondContact O-N 2.93Å; T44-L48 HydrophobicContact CG2-CD1 3.67Å; T44-L48 HydrophobicContact CG2-CG 4.08Å; T44-L48 VanDerWaalsContact O-CB 3.31Å; T44-L48 WeakPolarHBondContact O-CB 3.37Å; T44-L48 WeakPolarHBondContact O-CG 3.47Å; T44-L48 PolarHBondContact O-N 3.3Å
45I90.6Very high84Confident56 Ų5678.8 Ų78.829%0.28742%0.423SS..Hα-helixtrans-61.4-49.5174.3-71165.1000110.2F18 V41 E42 N43 D47 L48 L49F18-I45 HydrophobicContact CE1-CG1 3.76Å; F18-I45 HydrophobicContact CZ-CG1 4.42Å; V41-I45 HydrophobicContact CG1-CD1 3.89Å; V41-I45 HydrophobicContact CG1-CG1 4.33Å; V41-I45 WeakPolarHBondContact O-CG1 3.21Å; V41-I45 PolarHBondContact O-N 2.8Å; E42-I45 WeakPolarHBondContact O-CB 3.36Å; E42-I45 PolarHBondContact O-N 2.88Å; E42-I45 VanDerWaalsContact O-N 3.11Å; N43-I45 VanDerWaalsContact C-N 3.32Å; N43-I45 PolarHBondContact O-N 3.39Å; I45-D47 PolarHBondContact O-N 2.97Å; I45-L48 PolarHBondContact O-N 2.83Å; I45-L49 HydrophobicContact CG2-CD1 3.61Å; I45-L49 HydrophobicContact CG2-CG 4.12Å; I45-L49 WeakPolarHBondContact O-CB 3.46Å; I45-L49 VanDerWaalsContact O-CG 3.23Å; I45-L49 WeakPolarHBondContact O-CG 3.34Å; I45-L49 PolarHBondContact O-N 3.13Å
46D91.7Very high82.2Confident111 Ų11173.7 Ų73.759%0.59442%0.417SS*.Hα-helixtrans-60.8-44.2-178.4-69.7-26.1000111.7E42 N43 L50E42-D46 PolarHBondContact O-N 2.77Å; N43-D46 PolarHBondContact O-N 3.4Å; D46-L50 WeakPolarHBondContact O-CB 3.49Å; D46-L50 PolarHBondContact O-N 2.96Å
47D91.1Very high80.1Confident57 Ų5772.5 Ų72.531%0.30540%0.404SS..Hα-helixtrans-64.9-43.4176-76.8-27.2000112.5T33 N37 N43 I45 L50 L51T33-D47 HydrophobicContact CG2-CB 3.49Å; T33-D47 VanDerWaalsContact CG2-CB 3.49Å; N37-D47 PolarHBondContact ND2-OD2 3.09Å; N43-D47 PolarHBondContact O-N 3.13Å; N43-D47 VanDerWaalsContact O-N 3.1Å; I45-D47 PolarHBondContact O-N 2.97Å; D47-L50 PolarHBondContact O-N 2.94Å; D47-L51 WeakPolarHBondContact O-CG 3.35Å; D47-L51 PolarHBondContact O-N 3.41Å
48L91.3Very high78.2Confident0 Ų077 Ų770%043%0.427CS..Hα-helixtrans-70.3-35.7178.8-68.4175.1000112.2F18 F22 L25 I30 T44 I45 L50 L51 C52F18-L48 HydrophobicContact CB-CD1 4.13Å; F18-L48 HydrophobicContact CD1-CD1 3.53Å; F18-L48 HydrophobicContact CD2-CD1 4.26Å; F18-L48 HydrophobicContact CE1-CD1 3.95Å; F18-L48 HydrophobicContact CG-CD1 3.73Å; F18-L48 HydrophobicContact CZ-CD1 4.47Å; F22-L48 HydrophobicContact CD1-CB 4.34Å; F22-L48 HydrophobicContact CD2-CB 3.95Å; F22-L48 HydrophobicContact CD2-CD1 3.78Å; F22-L48 HydrophobicContact CD2-CG 4.46Å; F22-L48 HydrophobicContact CE1-CB 3.99Å; F22-L48 HydrophobicContact CE2-CB 3.57Å; F22-L48 HydrophobicContact CE2-CD1 3.75Å; F22-L48 HydrophobicContact CE2-CG 4.32Å; F22-L48 HydrophobicContact CG-CB 4.32Å; F22-L48 HydrophobicContact CZ-CB 3.59Å; L25-L48 HydrophobicContact CD1-CB 4.09Å; L25-L48 HydrophobicContact CD1-CD2 3.6Å; L25-L48 HydrophobicContact CD1-CG 4.4Å; I30-L48 HydrophobicContact CG1-CD1 4.29Å; I30-L48 HydrophobicContact CG1-CD2 4.02Å; I30-L48 HydrophobicContact CG2-CD1 4.37Å; T44-L48 HydrophobicContact CG2-CD1 3.67Å; T44-L48 HydrophobicContact CG2-CG 4.08Å; T44-L48 VanDerWaalsContact O-CB 3.31Å; T44-L48 WeakPolarHBondContact O-CB 3.37Å; T44-L48 WeakPolarHBondContact O-CG 3.47Å; T44-L48 PolarHBondContact O-N 3.3Å; I45-L48 PolarHBondContact O-N 2.83Å; L48-L50 VanDerWaalsContact C-N 3.33Å; L48-L51 HydrophobicContact CD2-CD1 4.42Å; L48-L51 PolarHBondContact O-N 3.08Å; L48-C52 VanDerWaalsContact O-CB 3.3Å; L48-C52 WeakPolarHBondContact O-CB 3.33Å; L48-C52 PolarHBondContact O-N 3.32Å
49L90.1Very high76.4Confident96 Ų9675 Ų7550%0.50341%0.414SS..Hα-helixtrans-61-43.2171.5-75.9171.3000111.1F22 I45 C52 S53F22-L49 HydrophobicContact CE1-CD2 4.04Å; F22-L49 HydrophobicContact CE1-CG 4.34Å; F22-L49 HydrophobicContact CZ-CD2 4.15Å; F22-L49 HydrophobicContact CZ-CG 4.15Å; I45-L49 HydrophobicContact CG2-CD1 3.61Å; I45-L49 HydrophobicContact CG2-CG 4.12Å; I45-L49 WeakPolarHBondContact O-CB 3.46Å; I45-L49 VanDerWaalsContact O-CG 3.23Å; I45-L49 WeakPolarHBondContact O-CG 3.34Å; I45-L49 PolarHBondContact O-N 3.13Å; L49-C52 PolarHBondContact O-N 3.21Å; L49-S53 PolarHBondContact O-N 3.25Å; L49-S53 VanDerWaalsContact O-N 3.16Å
50L87.7Confident74.8Confident125 Ų12578 Ų7865%0.65443%0.427SS*.Hα-helixtrans-61.4-46.3176-175.762.6000111.4D46 D47 L48 C52 S53D46-L50 WeakPolarHBondContact O-CB 3.49Å; D46-L50 PolarHBondContact O-N 2.96Å; D47-L50 PolarHBondContact O-N 2.94Å; L48-L50 VanDerWaalsContact C-N 3.33Å; L50-C52 PolarHBondContact O-N 2.86Å; L50-S53 PolarHBondContact O-N 3.29Å; L50-S53 PolarHBondContact O-OG 3.38Å
51L84.2Confident72.7Confident96 Ų9678 Ų7850%0.50344%0.439SS..Hα-helixtrans-65.9-32.2177.5-70.4171000113.7L25 T29 D47 L48 S53L25-L51 HydrophobicContact CD1-CB 4.28Å; L25-L51 HydrophobicContact CD2-CB 4.21Å; T29-L51 HydrophobicContact CG2-CD1 3.83Å; D47-L51 WeakPolarHBondContact O-CG 3.35Å; D47-L51 PolarHBondContact O-N 3.41Å; L48-L51 HydrophobicContact CD2-CD1 4.42Å; L48-L51 PolarHBondContact O-N 3.08Å; L51-S53 VanDerWaalsContact C-N 3.35Å
52C80.8Confident70.7Confident52 Ų5282 Ų8235%0.35147%0.472SS..Hα-helixtrans-78.5-18.5178.4-159.20000112.9F22 L25 L48 L49 L50 P54F22-C52 HydrophobicContact CD1-CB 3.94Å; F22-C52 HydrophobicContact CE1-CB 4.17Å; L25-C52 HydrophobicContact CD1-CB 4.47Å; L48-C52 VanDerWaalsContact O-CB 3.3Å; L48-C52 WeakPolarHBondContact O-CB 3.33Å; L48-C52 PolarHBondContact O-N 3.32Å; L49-C52 PolarHBondContact O-N 3.21Å; L50-C52 PolarHBondContact O-N 2.86Å; C52-P54 WeakPolarHBondContact O-CD 3.37Å
53S72.7Confident68.7Low52 Ų5287.3 Ų87.336%0.36449%0.494SS..  trans-65.7122.5-173.473.70000113.2L49 L50 L51 L55L49-S53 PolarHBondContact O-N 3.25Å; L49-S53 VanDerWaalsContact O-N 3.16Å; L50-S53 PolarHBondContact O-N 3.29Å; L50-S53 PolarHBondContact O-OG 3.38Å; L51-S53 VanDerWaalsContact C-N 3.35Å; S53-L55 PolarHBondContact O-N 2.67Å
54P57.8Low66.8Low97 Ų9792.8 Ų92.863%0.6352%0.517SS*.THydrogen-bonded Turntrans-78.26.8-16929.3-35.6000115.7C52C52-P54 WeakPolarHBondContact O-CD 3.37Å
55L49.8Very low64.4Low162 Ų16297.8 Ų97.885%0.84855%0.549SS*.THydrogen-bonded Turntrans-94.3-18.9-169.2-92.5163.9000115.8S53 R57S53-L55 PolarHBondContact O-N 2.67Å; L55-R57 PolarHBondContact O-N 2.79Å
56A50.7Low61.8Low65 Ų65106.3 Ų106.354%0.53758%0.578SS.*SBendtrans-76.140.5-175.600000114.1
57R48.5Very low59.3Low105 Ų105107.3 Ų107.340%0.39659%0.588SS.*  trans-146.773.6-158.7-71.7-138.9-83.1-174.8-17112.7L55 R88L55-R57 PolarHBondContact O-N 2.79Å; R57-R88 VanDerWaalsContact C-CB 3.46Å; R57-R88 HydrophobicContact CB-CB 3.34Å; R57-R88 HydrophobicContact CB-CG 4.03Å; R57-R88 HydrophobicContact CG-CB 3.82Å; R57-R88 PolarHBondContact O-NE 3.41Å; R57-R88 PolarHBondContact O-NH2 3.43Å
58N47.4Very low57.4Low116 Ų116113.2 Ų113.262%0.6261%0.611SS**  trans-165.3159.2162.9-94.1-25.4000114.7K89N58-K89 PolarHBondContact N-O 3.28Å; N58-K89 CarbonylContact O-C 3.4Å; N58-K89 VanDerWaalsContact O-CB 3.24Å; N58-K89 WeakPolarHBondContact O-CB 3.34Å
59E47.1Very low55.2Low110 Ų110121.6 Ų121.651%0.51465%0.65SS.*  trans-98.2149.3-157-55.8-108.8111.400117.3K89E59-K89 HydrophobicContact CB-CB 4.43Å; E59-K89 HydrophobicContact CB-CD 3.86Å; E59-K89 VanDerWaalsContact CD-CD 3.5Å; E59-K89 HydrophobicContact CG-CB 4.3Å; E59-K89 HydrophobicContact CG-CD 4.1Å; E59-K89 WeakPolarHBondContact OE1-CB 3.35Å; E59-K89 WeakPolarHBondContact OE1-CD 3.38Å; E59-K89 WeakPolarHBondContact OE1-CE 3.3Å; E59-K89 WeakPolarHBondContact OE1-CG 3.3Å; E59-K89 PolarHBondContact OE1-N 3Å; E59-K89 IonicContact OE1-NZ 3.32Å; E59-K89 IonicContact OE2-NZ 3.01Å; E59-K89 PolarHBondContact OE2-NZ 3.26Å
60P46.5Very low52.7Low96 Ų96122 Ų12262%0.62366%0.659SS**  -145.2147.6108.137.7-23.3000115.3K89P60-K89 VanDerWaalsContact C-NZ 3.34Å; P60-K89 VanDerWaalsContact O-CD 3.28Å; P60-K89 WeakPolarHBondContact O-CD 3.08Å; P60-K89 WeakPolarHBondContact O-CE 3.4Å
61A41.8Very low50.2Low81 Ų81122.4 Ų122.467%0.66967%0.671SS**  trans-124.1137.4162.800000108.8K89A61-K89 VanDerWaalsContact N-NZ 3.12Å
62A47.3Very low48.3Very low90 Ų90121.7 Ų121.774%0.74468%0.678SS**  trans-138.7148174.200000109.1
63K46.7Very low46.5Very low191 Ų191127.3 Ų127.383%0.8371%0.705SS**  trans76.797.4-179.7-48.3169.9-174.6179.10114.4
64H48.5Very low45.1Very low190 Ų190128.3 Ų128.388%0.8872%0.724SS**  -161.2135.6103.5-88.2-65.3000109.7
65P39.4Very low44.4Very low105 Ų105130.5 Ų130.568%0.68273%0.73SS**  trans-99.4144-175.836.4-32.3000113.9
66R37.1Very low44.4Very low236 Ų236130.2 Ų130.289%0.89172%0.724SS**  trans64.1124.4152.3-59170.3-165.8-144.72.6118.7
67T39.7Very low44.2Very low131 Ų131132 Ų13280%0.80473%0.733SS**  157.790.6129.2-59.40000105.9
68K50.7Low44.2Very low182 Ų182132.9 Ų132.979%0.79175%0.75SS**  48.610599.8-69.4-165.9177.8-170.10113.8
69E44.3Very low44.2Very low175 Ų175132.4 Ų132.482%0.81876%0.756SS**  -171.4140.4122.7-88.9-36.4112.500110
70P37.7Very low44.1Very low106 Ų106132.6 Ų132.669%0.68877%0.769SS**  trans-117.3141.8178.338.5-26.8000114.3
71C36.5Very low43.6Very low133 Ų133134.8 Ų134.890%0.89978%0.781SS**  trans-164.3132154-92.50000106.9
72A43.6Very low43.4Very low80 Ų80134.4 Ų134.466%0.66178%0.784SS**  cis109.588.231.700000112.2
73N43.6Very low43Very low170 Ų170136.5 Ų136.591%0.90979%0.788SS**  trans67.9137.2141.2-54.4-18.9000122.9
74G41.7Very low42.8Very low74 Ų74135.4 Ų135.476%0.76379%0.79SS**  trans106.3135.8157.500000115.5
75D43.6Very low43Very low142 Ų142131.4 Ų131.476%0.75978%0.781SS**  cis-162.9163.6-19.3-146.4-8.1000111
76Q50.6Low43.6Very low156 Ų156136.3 Ų136.373%0.72979%0.786SS**  trans62.3103.7156.3-67.7172.472.700122.8
77S46.8Very low44Very low102 Ų102134.7 Ų134.771%0.71379%0.785SS**  98.7140.1115.480.50000123.1
78T47.7Very low44.8Very low124 Ų124133.1 Ų133.176%0.76177%0.765SS**  trans85.991.5161.1690000121.5
79S47.6Very low45.1Very low107 Ų107127.5 Ų127.575%0.74874%0.74SS**  trans43.8113.5130.361.60000120.6
80S44.2Very low46.1Very low113 Ų113124.5 Ų124.579%0.7973%0.734SS**  95.5114.485.2-178.10000113.2
81V36.9Very low47.4Very low143 Ų143128.7 Ų128.787%0.86774%0.737SS**  cis-141.8131.2-2.6-167.80000108
82G36.7Very low48.6Very low72 Ų72127.3 Ų127.374%0.74273%0.729SS**  trans-123.3135.2-172.100000115.3
83V39.9Very low49.4Very low135 Ų135125.1 Ų125.182%0.81871%0.711SS**  trans-39.9131.3177.71780000116.5
84L41.8Very low50.3Low168 Ų168121.7 Ų121.788%0.8871%0.706SS**  trans-150.5103.6158.4-87.2179.3000112.9
85P52.7Low51.1Low105 Ų105126.7 Ų126.768%0.68271%0.712SS**PPolyproline II helixtrans-85.3125.5166.231.7-30.6000111.4K87P85-K87 PolarHBondContact O-N 3.07Å
86R51.1Low51.9Low209 Ų209126.8 Ų126.879%0.78971%0.711SS**PPolyproline II helixtrans-55122.6-179.7-68.2168.8167.9162.2-6.4112.7R88R86-R88 PolarHBondContact O-N 3.24Å
87K46.7Very low53.1Low202 Ų202128.3 Ų128.388%0.87872%0.715SS**PPolyproline II helixtrans-52.1125.3157.5-64.4-179.1-177.51790108.3P85P85-K87 PolarHBondContact O-N 3.07Å
88R55.5Low54.3Low98 Ų98129.2 Ų129.237%0.3772%0.719SS.*  trans-138.4119.5164-70174.464.3-151.7-5.5105.4R57 R86R57-R88 VanDerWaalsContact C-CB 3.46Å; R57-R88 HydrophobicContact CB-CB 3.34Å; R57-R88 HydrophobicContact CB-CG 4.03Å; R57-R88 HydrophobicContact CG-CB 3.82Å; R57-R88 PolarHBondContact O-NE 3.41Å; R57-R88 PolarHBondContact O-NH2 3.43Å; R86-R88 PolarHBondContact O-N 3.24Å
89K57.8Low55.5Low63 Ų63129.2 Ų129.227%0.27471%0.713SS.*  trans-57.5156.7-171.9-94.4162.4-161.3139.20114.7N58 E59 P60 A61N58-K89 PolarHBondContact N-O 3.28Å; N58-K89 CarbonylContact O-C 3.4Å; N58-K89 VanDerWaalsContact O-CB 3.24Å; N58-K89 WeakPolarHBondContact O-CB 3.34Å; E59-K89 HydrophobicContact CB-CB 4.43Å; E59-K89 HydrophobicContact CB-CD 3.86Å; E59-K89 VanDerWaalsContact CD-CD 3.5Å; E59-K89 HydrophobicContact CG-CB 4.3Å; E59-K89 HydrophobicContact CG-CD 4.1Å; E59-K89 WeakPolarHBondContact OE1-CB 3.35Å; E59-K89 WeakPolarHBondContact OE1-CD 3.38Å; E59-K89 WeakPolarHBondContact OE1-CE 3.3Å; E59-K89 WeakPolarHBondContact OE1-CG 3.3Å; E59-K89 PolarHBondContact OE1-N 3Å; E59-K89 IonicContact OE1-NZ 3.32Å; E59-K89 IonicContact OE2-NZ 3.01Å; E59-K89 PolarHBondContact OE2-NZ 3.26Å; P60-K89 VanDerWaalsContact C-NZ 3.34Å; P60-K89 VanDerWaalsContact O-CD 3.28Å; P60-K89 WeakPolarHBondContact O-CD 3.08Å; P60-K89 WeakPolarHBondContact O-CE 3.4Å; A61-K89 VanDerWaalsContact N-NZ 3.12Å
90V65.6Low56.9Low113 Ų113127.8 Ų127.869%0.68570%0.702SS**  trans-89.8138.7165.5177.20000108.6S92V90-S92 PolarHBondContact O-N 3.07Å
91Y65.6Low58Low194 Ų194132.7 Ų132.776%0.76170%0.703SS**  trans-72.192176.4-168.7-89.4000110.5A93Y91-A93 HydrophobicContact CD1-CB 4.32Å; Y91-A93 HydrophobicContact CE1-CB 4.09Å; Y91-A93 PolarHBondContact O-N 2.95Å
92S61.5Low59.6Low103 Ų103131.1 Ų131.172%0.7269%0.69SS**  trans-76.798.1167.862.10000109.1V90 A94V90-S92 PolarHBondContact O-N 3.07Å; S92-A94 PolarHBondContact O-N 3.36Å
93A59.6Low61.5Low35 Ų35133.5 Ų133.529%0.28968%0.68SS.*  trans-60.1109.1173.500000109.7Y91 M95 L96Y91-A93 HydrophobicContact CD1-CB 4.32Å; Y91-A93 HydrophobicContact CE1-CB 4.09Å; Y91-A93 PolarHBondContact O-N 2.95Å; A93-M95 PolarHBondContact O-N 2.88Å; A93-L96 HydrophobicContact CB-CB 4.27Å; A93-L96 HydrophobicContact CB-CD1 3.89Å; A93-L96 HydrophobicContact CB-CG 4.22Å; A93-L96 PolarHBondContact O-N 3.46Å
94A62.5Low63Low97 Ų97135.1 Ų135.180%0.80268%0.683SS**THydrogen-bonded Turntrans-67.15.3-163.200000116.4S92S92-A94 PolarHBondContact O-N 3.36Å
95M58.7Low64.5Low180 Ų180135 Ų13589%0.88767%0.671SS**THydrogen-bonded Turntrans-120.5-8.6175.8-62.1-90.275.100113A93A93-M95 PolarHBondContact O-N 2.88Å
96L61.3Low65.2Low143 Ų143137 Ų13775%0.74968%0.675SS**  trans-96.4109.9179-68.8175.8000109.9A93A93-L96 HydrophobicContact CB-CB 4.27Å; A93-L96 HydrophobicContact CB-CD1 3.89Å; A93-L96 HydrophobicContact CB-CG 4.22Å; A93-L96 PolarHBondContact O-N 3.46Å
97K73.9Confident65.4Low188 Ų188132 Ų13282%0.81767%0.672SS**PPolyproline II helixtrans-60.2154162.3-66.7177.1-179.4175.50109L99K97-L99 PolarHBondContact O-N 2.95Å
98P73.2Confident65.8Low122 Ų122130 Ų13079%0.79267%0.671SS**PPolyproline II helixtrans-50.9129.1171.5-24.333.7000109.9P100P98-P100 VanDerWaalsContact O-CD 3.31Å; P98-P100 WeakPolarHBondContact O-CD 3.24Å
99L72.8Confident65.6Low123 Ų123131.3 Ų131.364%0.64469%0.689SS**PPolyproline II helixtrans-57122180-162.673.2000108.2K97 R101 F103K97-L99 PolarHBondContact O-N 2.95Å; L99-R101 PolarHBondContact O-N 2.99Å; L99-F103 HydrophobicContact CD1-CB 4.32Å; L99-F103 HydrophobicContact CD1-CD1 3.55Å; L99-F103 HydrophobicContact CD1-CD2 3.86Å; L99-F103 HydrophobicContact CD1-CE1 3.68Å; L99-F103 HydrophobicContact CD1-CE2 3.99Å; L99-F103 HydrophobicContact CD1-CG 3.63Å; L99-F103 HydrophobicContact CD1-CZ 3.9Å; L99-F103 HydrophobicContact CD2-CB 3.82Å; L99-F103 HydrophobicContact CD2-CD1 4.19Å; L99-F103 HydrophobicContact CD2-CG 4.03Å; L99-F103 HydrophobicContact CG-CB 3.78Å; L99-F103 HydrophobicContact CG-CD1 3.98Å; L99-F103 HydrophobicContact CG-CD2 3.94Å; L99-F103 HydrophobicContact CG-CG 3.62Å
100P78Confident65Low77 Ų77132.3 Ų132.350%0.570%0.704SS.*PPolyproline II helixtrans-50.7139.7177.6-27.430.9000111P98 D102 F103P98-P100 VanDerWaalsContact O-CD 3.31Å; P98-P100 WeakPolarHBondContact O-CD 3.24Å; P100-D102 PolarHBondContact O-N 2.67Å; P100-F103 HydrophobicContact CB-CD2 3.93Å; P100-F103 HydrophobicContact CB-CE2 4.42Å; P100-F103 VanDerWaalsContact CD-CD2 3.48Å; P100-F103 HydrophobicContact CG-CD2 3.81Å; P100-F103 HydrophobicContact CG-CE2 3.82Å; P100-F103 WeakPolarHBondContact O-CB 3.37Å; P100-F103 PolarHBondContact O-N 2.97Å
101R67.2Low64Low216 Ų216132.7 Ų132.782%0.81570%0.702SS**THydrogen-bonded Turntrans-59.1-17.8-174.1-67.8-180175.3177.2-2.1113.3L99 R105L99-R101 PolarHBondContact O-N 2.99Å; R101-R105 WeakPolarHBondContact O-CD 3.4Å; R101-R105 PolarHBondContact O-NE 3.29Å; R101-R105 PolarHBondContact O-NH1 3.41Å
102D70.7Confident63.2Low111 Ų111130.8 Ų130.859%0.59471%0.71SS**THydrogen-bonded Turntrans-105.811.9-176.9-45.3-52.3000113P100 L104 R105P100-D102 PolarHBondContact O-N 2.67Å; D102-L104 PolarHBondContact O-N 2.98Å; D102-R105 HydrophobicContact CB-CB 4.26Å; D102-R105 PolarHBondContact O-N 3.31Å; D102-R105 IonicContact OD1-NH1 3.49Å
103F75.9Confident62.4Low122 Ų122129.9 Ų129.954%0.53571%0.71SS.*THydrogen-bonded Turntrans-55.5125.6166.6-109.8-108.3000110L99 P100 R105L99-F103 HydrophobicContact CD1-CB 4.32Å; L99-F103 HydrophobicContact CD1-CD1 3.55Å; L99-F103 HydrophobicContact CD1-CD2 3.86Å; L99-F103 HydrophobicContact CD1-CE1 3.68Å; L99-F103 HydrophobicContact CD1-CE2 3.99Å; L99-F103 HydrophobicContact CD1-CG 3.63Å; L99-F103 HydrophobicContact CD1-CZ 3.9Å; L99-F103 HydrophobicContact CD2-CB 3.82Å; L99-F103 HydrophobicContact CD2-CD1 4.19Å; L99-F103 HydrophobicContact CD2-CG 4.03Å; L99-F103 HydrophobicContact CG-CB 3.78Å; L99-F103 HydrophobicContact CG-CD1 3.98Å; L99-F103 HydrophobicContact CG-CD2 3.94Å; L99-F103 HydrophobicContact CG-CG 3.62Å; P100-F103 HydrophobicContact CB-CD2 3.93Å; P100-F103 HydrophobicContact CB-CE2 4.42Å; P100-F103 VanDerWaalsContact CD-CD2 3.48Å; P100-F103 HydrophobicContact CG-CD2 3.81Å; P100-F103 HydrophobicContact CG-CE2 3.82Å; P100-F103 WeakPolarHBondContact O-CB 3.37Å; P100-F103 PolarHBondContact O-N 2.97Å; F103-R105 PolarHBondContact O-N 3.39Å; F103-R105 VanDerWaalsContact O-N 3.12Å
104L71.5Confident61.5Low169 Ų169136.6 Ų136.689%0.88574%0.735SS**THydrogen-bonded Turntrans62.14.5-174.7-50.6177.3000115.5D102 L106D102-L104 PolarHBondContact O-N 2.98Å; L104-L106 PolarHBondContact O-N 2.93Å; L104-L106 VanDerWaalsContact O-N 3.15Å
105R73.9Confident60.5Low164 Ų164138.2 Ų138.262%0.61974%0.735SS**  trans-85.981.1169.3-63.4-171.3177.5154.9-2.3109.6R101 D102 F103 S107R101-R105 WeakPolarHBondContact O-CD 3.4Å; R101-R105 PolarHBondContact O-NE 3.29Å; R101-R105 PolarHBondContact O-NH1 3.41Å; D102-R105 HydrophobicContact CB-CB 4.26Å; D102-R105 PolarHBondContact O-N 3.31Å; D102-R105 IonicContact OD1-NH1 3.49Å; F103-R105 PolarHBondContact O-N 3.39Å; F103-R105 VanDerWaalsContact O-N 3.12Å; R105-S107 PolarHBondContact O-N 3.42Å
106L65.9Low59.6Low148 Ų148134 Ų13478%0.77573%0.728SS**  trans-68.896.1168.6-62.8177.2000108.9L104 L108L104-L106 PolarHBondContact O-N 2.93Å; L104-L106 VanDerWaalsContact O-N 3.15Å; L106-L108 HydrophobicContact CB-CD1 4.06Å; L106-L108 PolarHBondContact O-N 3.3Å
107S55.6Low58.7Low104 Ų104132.5 Ų132.573%0.72773%0.73SS**  trans-69.489.5173.233.40000110.4R105 T109R105-S107 PolarHBondContact O-N 3.42Å; S107-T109 PolarHBondContact O-N 3.08Å
108L54.7Low57.2Low161 Ų161127.8 Ų127.884%0.84372%0.721SS**  trans-71.269.2167.9-88.876.3000110.8L106L106-L108 HydrophobicContact CB-CD1 4.06Å; L106-L108 PolarHBondContact O-N 3.3Å
109T51.1Low55.9Low125 Ų125129.8 Ų129.877%0.76772%0.72SS**  trans-141.287.216453.60000107.8S107S107-T109 PolarHBondContact O-N 3.08Å
110S45.5Very low54.6Low83 Ų83129.4 Ų129.458%0.5872%0.722SS**  trans-88.5148.1170.468.80000110.6K144S110-K144 VanDerWaalsContact CB-NZ 3.31Å; S110-K144 PolarHBondContact OG-NZ 3.49Å
111D45Very low52.4Low121 Ų121132.2 Ų132.265%0.64774%0.742SS**  trans78.269.8156.9-34.3-43.4000117.9K144D111-K144 IonicContact OD1-NZ 2.72Å; D111-K144 PolarHBondContact OD1-NZ 3.48Å; D111-K144 IonicContact OD2-NZ 3.21Å; D111-K144 PolarHBondContact OD2-NZ 2.91Å
112V49.6Very low51.2Low154 Ų154132.2 Ų132.293%0.93374%0.742SS**  -153150.4126.5-105.10000112.6
113A43.9Very low49.7Very low85 Ų85132.5 Ų132.570%0.70275%0.753SS**  trans-51.4146.7-171.900000117.1
114E41.3Very low48.2Very low176 Ų176131.2 Ų131.282%0.82277%0.765SS**  43143.2117.5-149.9170.3173.500120.3
115T40.2Very low47.1Very low130 Ų130129 Ų12980%0.79875%0.75SS**  trans89.990.7178.171.80000117.4
116A41.5Very low45.6Very low91 Ų91133.4 Ų133.475%0.75277%0.767SS**  27.4140.413000000122
117S41.9Very low44.5Very low112 Ų112136 Ų13678%0.78377%0.767SS**  trans93.3126.5152.1-32.90000117.7
118S43Very low43.7Very low89 Ų89134.5 Ų134.562%0.62277%0.767SS**  trans50.8112142.8-72.70000121.7
119E45.8Very low43.2Very low164 Ų164133.6 Ų133.677%0.76677%0.768SS**  82.3160120.5-67158.8-127.100120.7
120T44.5Very low42.8Very low115 Ų115132.3 Ų132.371%0.70676%0.762SS**  trans65.278.1168.542.60000118.5R122T120-R122 PolarHBondContact O-N 3.38Å
121C32.9Very low42.6Very low136 Ų136137.2 Ų137.292%0.91978%0.775SS**  trans-53.7124.8144.9-56.70000110.8
122R41.8Very low42.4Very low216 Ų216135.2 Ų135.282%0.81578%0.775SS**  trans-134.9113160.9-73.3-174.9172.1-173.8-1.6105.8T120T120-R122 PolarHBondContact O-N 3.38Å
123S37.6Very low42Very low117 Ų117135.9 Ų135.982%0.81877%0.768SS**  75.813986.8-71.50000113.2
124A44.2Very low42.5Very low95 Ų95136 Ų13679%0.78577%0.77SS**  trans70.9137.8-17400000114.1
125E49.1Very low43.5Very low123 Ų123136.4 Ų136.458%0.57577%0.772SS**  cis-153.3141.1-5.3-170.1109.4117.300110R127E125-R127 HydrophobicContact CG-CB 4.22Å; E125-R127 HydrophobicContact CG-CG 4Å; E125-R127 PolarHBondContact O-N 3.01Å; E125-R127 VanDerWaalsContact O-N 3.14Å; E125-R127 IonicContact OE1-CZ 3.34Å; E125-R127 IonicContact OE1-NE 3.75Å; E125-R127 PolarHBondContact OE1-NE 3.42Å; E125-R127 IonicContact OE1-NH2 3.88Å; E125-R127 PolarHBondContact OE1-NH2 2.86Å
126R43.1Very low44.8Very low257 Ų257135.6 Ų135.697%0.9776%0.762SS**  trans-75.194.3158.7-76.4-167.8-179.5-1513.8109.4
127R42.4Very low46.3Very low203 Ų203133 Ų13377%0.76674%0.738SS**  trans-136.3120.4166.6-96.9-169.8-87.5157-5.9111.8E125E125-R127 HydrophobicContact CG-CB 4.22Å; E125-R127 HydrophobicContact CG-CG 4Å; E125-R127 PolarHBondContact O-N 3.01Å; E125-R127 VanDerWaalsContact O-N 3.14Å; E125-R127 IonicContact OE1-CZ 3.34Å; E125-R127 IonicContact OE1-NE 3.75Å; E125-R127 PolarHBondContact OE1-NE 3.42Å; E125-R127 IonicContact OE1-NH2 3.88Å; E125-R127 PolarHBondContact OE1-NH2 2.86Å
128G39Very low48.1Very low71 Ų71130.3 Ų130.373%0.73272%0.719SS**  trans79.1124.4170.200000114.6P130G128-P130 WeakPolarHBondContact O-CD 3.4Å
129V44Very low50Low142 Ų142129 Ų12986%0.86171%0.707SS**  trans-77105.6142.3174.80000104.4Q131V129-Q131 PolarHBondContact O-N 3.11Å
130P41.9Very low51.9Low99 Ų99128.8 Ų128.864%0.64371%0.706SS**  trans-62.5133.4156.429.8-31000105.4G128 A132G128-P130 WeakPolarHBondContact O-CD 3.4Å; P130-A132 PolarHBondContact O-N 2.96Å
131Q41.4Very low54.1Low186 Ų186128.6 Ų128.687%0.86970%0.697SS**  trans-63.882.3156.6-178.7-179.9-10.800105.7V129 Q133V129-Q131 PolarHBondContact O-N 3.11Å; Q131-Q133 VanDerWaalsContact C-N 3.25Å; Q131-Q133 PolarHBondContact O-N 3.14Å
132A41.4Very low56.7Low78 Ų78122.4 Ų122.465%0.64565%0.654SS**  trans-64.397.217600000105.6P130 A134P130-A132 PolarHBondContact O-N 2.96Å; A132-A134 VanDerWaalsContact C-N 3.32Å; A132-A134 PolarHBondContact O-N 3.16Å
133Q41.8Very low58.9Low168 Ų168115 Ų11579%0.78563%0.629SS**  trans-42.1110.4149.7-66.6174.2-15.900104.4Q131 Q135Q131-Q133 VanDerWaalsContact C-N 3.25Å; Q131-Q133 PolarHBondContact O-N 3.14Å; Q133-Q135 VanDerWaalsContact C-N 3.28Å; Q133-Q135 PolarHBondContact O-N 2.87Å
134A53.7Low61.4Low89 Ų89113.4 Ų113.474%0.73661%0.607SS**  trans-62.2100.6-175.600000105.7A132 L136A132-A134 VanDerWaalsContact C-N 3.32Å; A132-A134 PolarHBondContact O-N 3.16Å; A134-L136 PolarHBondContact O-N 3.16Å
135Q61.4Low63.7Low184 Ų184112.5 Ų112.586%0.8659%0.589SS**  trans-64.4106.3-174.4-70-175.4200105.5Q133Q133-Q135 VanDerWaalsContact C-N 3.28Å; Q133-Q135 PolarHBondContact O-N 2.87Å
136L67.6Low65.5Low112 Ų112107.7 Ų107.759%0.58657%0.567SS**PPolyproline II helixtrans-51.9131.9177-70170.5000107.1A134 S138 E177A134-L136 PolarHBondContact O-N 3.16Å; L136-S138 PolarHBondContact O-N 3.41Å; L136-S138 VanDerWaalsContact O-N 3.13Å; L136-E177 HydrophobicContact CD1-CG 3.94Å
137P73.3Confident67.8Low38 Ų3898.9 Ų98.925%0.24754%0.539CS..PPolyproline II helixtrans-56.5125.3-172.422-32.5000109Q141 L142 Q175P137-Q141 HydrophobicContact CB-CB 4.2Å; P137-L142 HydrophobicContact CB-CD1 4.46Å; P137-L142 HydrophobicContact CG-CD1 3.96Å; P137-Q175 HydrophobicContact CG-CB 4.06Å
138S80.5Confident70.2Confident55 Ų5593 Ų9339%0.38552%0.523SS..PPolyproline II helixtrans-55.9151.8175.461.80000109.9L136 Q140 Q141 L142L136-S138 PolarHBondContact O-N 3.41Å; L136-S138 VanDerWaalsContact O-N 3.13Å; S138-Q140 PolarHBondContact O-N 3.32Å; S138-Q141 WeakPolarHBondContact O-CA 3.09Å; S138-Q141 WeakPolarHBondContact O-CB 3.42Å; S138-Q141 PolarHBondContact O-N 3.01Å; S138-Q141 VanDerWaalsContact OG-CD 3.31Å; S138-Q141 WeakPolarHBondContact OG-CG 3.39Å; S138-Q141 PolarHBondContact OG-N 2.82Å; S138-Q141 PolarHBondContact OG-OE1 3.22Å; S138-L142 PolarHBondContact O-N 3.4Å
139V82.1Confident72.8Confident61 Ų6189.7 Ų89.737%0.3749%0.488SS..Hα-helixtrans-52.8-29.7-178.7-178.40000112.3Q143V139-Q143 WeakPolarHBondContact O-CB 3.16Å; V139-Q143 PolarHBondContact O-N 3.29Å
140Q86.6Confident75Confident160 Ų16088.2 Ų88.275%0.74847%0.47SS*.Hα-helixtrans-72.2-44.5174-64.3-177-100113.3S138 L142 Q143 K144S138-Q140 PolarHBondContact O-N 3.32Å; Q140-L142 VanDerWaalsContact C-N 3.29Å; Q140-L142 PolarHBondContact O-N 3.04Å; Q140-Q143 PolarHBondContact O-N 3.1Å; Q140-K144 PolarHBondContact O-N 2.97Å
141Q89.4Confident77.4Confident110 Ų11087.4 Ų87.451%0.51446%0.461SS..Hα-helixtrans-61.8-40.7173-73.2163.1-44.500110.9P137 S138 Q143 K144 L145P137-Q141 HydrophobicContact CB-CB 4.2Å; S138-Q141 WeakPolarHBondContact O-CA 3.09Å; S138-Q141 WeakPolarHBondContact O-CB 3.42Å; S138-Q141 PolarHBondContact O-N 3.01Å; S138-Q141 VanDerWaalsContact OG-CD 3.31Å; S138-Q141 WeakPolarHBondContact OG-CG 3.39Å; S138-Q141 PolarHBondContact OG-N 2.82Å; S138-Q141 PolarHBondContact OG-OE1 3.22Å; Q141-Q143 PolarHBondContact O-N 3.43Å; Q141-K144 WeakPolarHBondContact O-CB 3.37Å; Q141-K144 PolarHBondContact O-N 2.76Å; Q141-L145 WeakPolarHBondContact O-CG 3.37Å; Q141-L145 PolarHBondContact O-N 2.9Å
142L87.8Confident79.8Confident6 Ų685 Ų853%0.03144%0.443CS..Hα-helixtrans-59-46.4174.7-157.682.6000111.9P137 S138 Q140 K144 L145 M146 I172 Q175 N176P137-L142 HydrophobicContact CB-CD1 4.46Å; P137-L142 HydrophobicContact CG-CD1 3.96Å; S138-L142 PolarHBondContact O-N 3.4Å; Q140-L142 VanDerWaalsContact C-N 3.29Å; Q140-L142 PolarHBondContact O-N 3.04Å; L142-K144 VanDerWaalsContact C-N 3.35Å; L142-K144 PolarHBondContact O-N 3.02Å; L142-L145 PolarHBondContact O-N 3.18Å; L142-M146 WeakPolarHBondContact O-CG 3.43Å; L142-M146 PolarHBondContact O-N 3.25Å; L142-I172 HydrophobicContact CD1-CG2 3.8Å; L142-I172 WeakPolarHBondContact CD1-O 3.33Å; L142-I172 HydrophobicContact CG-CG2 3.89Å; L142-Q175 HydrophobicContact CD1-CB 4.11Å; L142-N176 HydrophobicContact CD2-CB 3.69Å
143Q88.2Confident82.1Confident61 Ų6182.9 Ų82.929%0.28542%0.423SS..Hα-helixtrans-62.9-40177-178.4155.561.500112V139 Q140 Q141 M146 D147V139-Q143 WeakPolarHBondContact O-CB 3.16Å; V139-Q143 PolarHBondContact O-N 3.29Å; Q140-Q143 PolarHBondContact O-N 3.1Å; Q141-Q143 PolarHBondContact O-N 3.43Å; Q143-M146 PolarHBondContact O-N 3.37Å; Q143-D147 PolarHBondContact O-N 3.32Å
144K91Very high84.3Confident84 Ų8483.6 Ų83.637%0.36542%0.418SS..Hα-helixtrans-59.3-48.4173.7-167.8177.3-170176.50111.5S110 D111 Q140 Q141 L142 M146 D147 D148S110-K144 VanDerWaalsContact CB-NZ 3.31Å; S110-K144 PolarHBondContact OG-NZ 3.49Å; D111-K144 IonicContact OD1-NZ 2.72Å; D111-K144 PolarHBondContact OD1-NZ 3.48Å; D111-K144 IonicContact OD2-NZ 3.21Å; D111-K144 PolarHBondContact OD2-NZ 2.91Å; Q140-K144 PolarHBondContact O-N 2.97Å; Q141-K144 WeakPolarHBondContact O-CB 3.37Å; Q141-K144 PolarHBondContact O-N 2.76Å; L142-K144 VanDerWaalsContact C-N 3.35Å; L142-K144 PolarHBondContact O-N 3.02Å; K144-M146 VanDerWaalsContact C-N 3.31Å; K144-M146 PolarHBondContact O-N 2.61Å; K144-D147 PolarHBondContact O-N 3.13Å; K144-D148 PolarHBondContact O-N 2.86Å
145L91.9Very high85.9Confident75 Ų7584.3 Ų84.339%0.39342%0.418SS..Hα-helixtrans-60.1-39.3176-68.6171.1000112.3Q141 L142 N149 I172Q141-L145 WeakPolarHBondContact O-CG 3.37Å; Q141-L145 PolarHBondContact O-N 2.9Å; L142-L145 PolarHBondContact O-N 3.18Å; L145-N149 WeakPolarHBondContact O-CB 3.42Å; L145-N149 PolarHBondContact O-N 3.43Å; L145-I172 HydrophobicContact CB-CD1 4.04Å; L145-I172 HydrophobicContact CB-CG1 4.29Å; L145-I172 HydrophobicContact CB-CG2 4.05Å
146M88Confident87.2Confident22 Ų2276.4 Ų76.411%0.10838%0.382CS..Hα-helixtrans-66.6-43.3176.1-75.4-157.367.500113.2L142 Q143 K144 N149 F150 R169 I172 I173 L282L142-M146 WeakPolarHBondContact O-CG 3.43Å; L142-M146 PolarHBondContact O-N 3.25Å; Q143-M146 PolarHBondContact O-N 3.37Å; K144-M146 VanDerWaalsContact C-N 3.31Å; K144-M146 PolarHBondContact O-N 2.61Å; M146-N149 PolarHBondContact O-N 2.92Å; M146-F150 WeakPolarHBondContact O-CB 3.4Å; M146-F150 PolarHBondContact O-N 2.81Å; M146-R169 HydrophobicContact CE-CG 3.94Å; M146-I172 HydrophobicContact CG-CB 4.45Å; M146-I172 HydrophobicContact CG-CG2 3.55Å; M146-I173 HydrophobicContact CE-CD1 3.76Å; M146-I173 HydrophobicContact CE-CG1 3.77Å; M146-I173 HydrophobicContact SD-CD1 4.32Å; M146-I173 HydrophobicContact SD-CG1 3.64Å; M146-L282 HydrophobicContact CE-CD1 3.38Å; M146-L282 HydrophobicContact SD-CD1 3.51Å; M146-L282 VanDerWaalsContact SD-CD1 3.51Å; M146-L282 HydrophobicContact SD-CD2 3.65Å; M146-L282 HydrophobicContact SD-CG 4.21Å
147D91.3Very high88Confident73 Ų7376.4 Ų76.439%0.3939%0.39SS..Hα-helixtrans-65.7-39.4177.7-74.3-29.4000110.6Q143 K144 F150 N151Q143-D147 PolarHBondContact O-N 3.32Å; K144-D147 PolarHBondContact O-N 3.13Å; D147-F150 PolarHBondContact O-N 3.23Å; D147-N151 WeakPolarHBondContact O-CB 3.41Å; D147-N151 PolarHBondContact O-N 3.23Å; D147-N151 PolarHBondContact O-ND2 3Å
148D92.6Very high88.9Confident79 Ų7977.9 Ų77.942%0.42240%0.396SS..Hα-helixtrans-62.7-46.4173.1-76.9-22.4000112.6K144 F150 N151 R152K144-D148 PolarHBondContact O-N 2.86Å; D148-F150 VanDerWaalsContact C-N 3.35Å; D148-F150 PolarHBondContact O-N 2.69Å; D148-N151 PolarHBondContact O-N 3.33Å; D148-R152 WeakPolarHBondContact O-CG 3.36Å; D148-R152 PolarHBondContact O-N 3.37Å
149N92.9Very high89.4Confident2 Ų279.8 Ų79.81%0.01141%0.407CS..Hα-helixtrans-62.3-39.7174.9169.5-85.6000112L145 M146 R152 T153 L165 E168 R169 I172L145-N149 WeakPolarHBondContact O-CB 3.42Å; L145-N149 PolarHBondContact O-N 3.43Å; M146-N149 PolarHBondContact O-N 2.92Å; N149-R152 PolarHBondContact O-N 2.98Å; N149-T153 WeakPolarHBondContact O-CB 3.28Å; N149-T153 PolarHBondContact O-N 3.32Å; N149-T153 PolarHBondContact O-OG1 2.77Å; N149-L165 PolarHBondContact ND2-O 3.39Å; N149-E168 PolarHBondContact ND2-OE2 2.73Å; N149-R169 WeakPolarHBondContact OD1-CB 3.4Å; N149-I172 HydrophobicContact CB-CD1 3.96Å
150F90.6Very high90Very high110 Ų11084 Ų8448%0.48242%0.423SS..Hα-helixtrans-64-42.2175.9-176.6-110.2000111.8M146 D147 D148 T153 R154M146-F150 WeakPolarHBondContact O-CB 3.4Å; M146-F150 PolarHBondContact O-N 2.81Å; D147-F150 PolarHBondContact O-N 3.23Å; D148-F150 VanDerWaalsContact C-N 3.35Å; D148-F150 PolarHBondContact O-N 2.69Å; F150-T153 PolarHBondContact O-N 3.49Å; F150-R154 VanDerWaalsContact CE1-CD 3.42Å; F150-R154 HydrophobicContact CE1-CG 4.39Å; F150-R154 HydrophobicContact CZ-CG 4.34Å; F150-R154 WeakPolarHBondContact O-CG 3.45Å; F150-R154 PolarHBondContact O-N 3.26Å
151N91.8Very high90.2Very high82 Ų8280 Ų8044%0.43941%0.406SS..Hα-helixtrans-62.5-43.1174.9-72-33.8000112D147 D148 R154 S155D147-N151 WeakPolarHBondContact O-CB 3.41Å; D147-N151 PolarHBondContact O-N 3.23Å; D147-N151 PolarHBondContact O-ND2 3Å; D148-N151 PolarHBondContact O-N 3.33Å; N151-R154 PolarHBondContact O-N 2.7Å; N151-S155 WeakPolarHBondContact O-CB 3.35Å; N151-S155 PolarHBondContact O-N 3.12Å; N151-S155 VanDerWaalsContact O-N 3.12Å; N151-S155 PolarHBondContact O-OG 3.49Å
152R91.7Very high90.3Very high135 Ų13579.9 Ų79.951%0.50940%0.401SS..Hα-helixtrans-59.7-46.4171.8-69.1171.6-177.5-177.41.3111.8D148 N149 R154 S155 T156 L165 E168D148-R152 WeakPolarHBondContact O-CG 3.36Å; D148-R152 PolarHBondContact O-N 3.37Å; N149-R152 PolarHBondContact O-N 2.98Å; R152-R154 VanDerWaalsContact C-N 3.32Å; R152-R154 PolarHBondContact O-N 2.88Å; R152-S155 PolarHBondContact O-N 2.88Å; R152-T156 PolarHBondContact O-N 2.77Å; R152-L165 HydrophobicContact CB-CD1 3.87Å; R152-L165 HydrophobicContact CB-CD2 3.9Å; R152-E168 IonicContact NH1-OE1 3.02Å; R152-E168 PolarHBondContact NH1-OE1 3.35Å; R152-E168 IonicContact NH1-OE2 3.8Å
153T89Confident90.5Very high35 Ų3587.8 Ų87.822%0.21543%0.43CS..Hα-helixtrans-61.1-40.1-177.8-57.70000111.9N149 F150 L165N149-T153 WeakPolarHBondContact O-CB 3.28Å; N149-T153 PolarHBondContact O-N 3.32Å; N149-T153 PolarHBondContact O-OG1 2.77Å; F150-T153 PolarHBondContact O-N 3.49Å; T153-L165 WeakPolarHBondContact OG1-CB 3.35Å
154R88.2Confident90.6Very high182 Ų18288.7 Ų88.769%0.68744%0.443SS*.Hα-helixtrans-71.1-28.4174.8-71178.667-1684.3113.7F150 N151 R152F150-R154 VanDerWaalsContact CE1-CD 3.42Å; F150-R154 HydrophobicContact CE1-CG 4.39Å; F150-R154 HydrophobicContact CZ-CG 4.34Å; F150-R154 WeakPolarHBondContact O-CG 3.45Å; F150-R154 PolarHBondContact O-N 3.26Å; N151-R154 PolarHBondContact O-N 2.7Å; R152-R154 VanDerWaalsContact C-N 3.32Å; R152-R154 PolarHBondContact O-N 2.88Å
155S88.9Confident90.7Very high104 Ų10485.1 Ų85.173%0.72743%0.428SS*.Hα-helixtrans-86.2-22.4-175.1-56.20000113.5N151 R152N151-S155 WeakPolarHBondContact O-CB 3.35Å; N151-S155 PolarHBondContact O-N 3.12Å; N151-S155 VanDerWaalsContact O-N 3.12Å; N151-S155 PolarHBondContact O-OG 3.49Å; R152-S155 PolarHBondContact O-N 2.88Å
156T88.2Confident90.6Very high18 Ų1886 Ų8611%0.1143%0.43CS..  trans-84.2139.4180-179.30000113.5R152 D158 L161 R162 L165R152-T156 PolarHBondContact O-N 2.77Å; T156-D158 PolarHBondContact OG1-N 3.36Å; T156-L161 HydrophobicContact CG2-CG 4.32Å; T156-R162 HydrophobicContact CG2-CG 3.53Å; T156-R162 PolarHBondContact O-NE 2.87Å; T156-R162 VanDerWaalsContact O-NE 3.09Å; T156-R162 PolarHBondContact O-NH2 3.47Å; T156-L165 HydrophobicContact CG2-CD1 3.73Å
157C84.9Confident90.7Very high112 Ų11288 Ų8876%0.75744%0.441SS*.  trans-97.3-14.5167.7-165.20000113.2
158D91.5Very high90.8Very high69 Ų6987.7 Ų87.737%0.36944%0.437SS..  trans-77.9122.3-176.7167.830.1000111.3T156 Q160 L161 R162T156-D158 PolarHBondContact OG1-N 3.36Å; D158-Q160 VanDerWaalsContact C-N 3.31Å; D158-Q160 PolarHBondContact O-N 2.87Å; D158-Q160 PolarHBondContact OD1-N 3.3Å; D158-L161 HydrophobicContact CB-CB 4.04Å; D158-L161 PolarHBondContact O-N 3.12Å; D158-L161 WeakPolarHBondContact OD2-CB 3.4Å; D158-L161 PolarHBondContact OD2-N 2.86Å; D158-R162 WeakPolarHBondContact O-CG 3.42Å; D158-R162 PolarHBondContact O-N 3.45Å
159P91.5Very high90.8Very high95 Ų9586.8 Ų86.862%0.61743%0.428SS*.Hα-helixtrans-64.7-29.5177.127.7-36.3000113.9R163P159-R163 PolarHBondContact O-N 3.17Å
160Q93.2Very high90.7Very high149 Ų14987.6 Ų87.670%0.69643%0.431SS*.Hα-helixtrans-69.4-50.8177.1-67.8-171.1-21.700110.1D158 R162 R163 C164D158-Q160 VanDerWaalsContact C-N 3.31Å; D158-Q160 PolarHBondContact O-N 2.87Å; D158-Q160 PolarHBondContact OD1-N 3.3Å; Q160-R162 VanDerWaalsContact C-N 3.31Å; Q160-R162 PolarHBondContact O-N 2.85Å; Q160-R163 WeakPolarHBondContact O-CB 3.5Å; Q160-R163 PolarHBondContact O-N 3.37Å; Q160-R163 VanDerWaalsContact O-N 3.15Å; Q160-C164 PolarHBondContact O-N 3.27Å; Q160-C164 PolarHBondContact O-SG 3.09Å
161L92.6Very high90.7Very high76 Ų7684.7 Ų84.740%0.39843%0.428SS..Hα-helixtrans-59.3-38174.6-17755.7000112.5T156 D158 R163 C164 L165T156-L161 HydrophobicContact CG2-CG 4.32Å; D158-L161 HydrophobicContact CB-CB 4.04Å; D158-L161 PolarHBondContact O-N 3.12Å; D158-L161 WeakPolarHBondContact OD2-CB 3.4Å; D158-L161 PolarHBondContact OD2-N 2.86Å; L161-R163 PolarHBondContact O-N 3.45Å; L161-C164 PolarHBondContact O-N 3.4Å; L161-L165 HydrophobicContact CD1-CD1 4.23Å; L161-L165 HydrophobicContact CD1-CD2 4.46Å; L161-L165 HydrophobicContact CD1-CG 4.05Å; L161-L165 HydrophobicContact CG-CD1 3.97Å; L161-L165 HydrophobicContact CG-CG 4.28Å; L161-L165 WeakPolarHBondContact O-CB 3.32Å; L161-L165 VanDerWaalsContact O-CG 3.23Å; L161-L165 WeakPolarHBondContact O-CG 3.49Å; L161-L165 PolarHBondContact O-N 2.9Å
162R91.6Very high90.7Very high108 Ų10881.4 Ų81.441%0.40841%0.41SS..Hα-helixtrans-57.6-46.2173.6-77.2-178.8-174.3162.74.3112.5T156 D158 Q160 C164 L165 E166T156-R162 HydrophobicContact CG2-CG 3.53Å; T156-R162 PolarHBondContact O-NE 2.87Å; T156-R162 VanDerWaalsContact O-NE 3.09Å; T156-R162 PolarHBondContact O-NH2 3.47Å; D158-R162 WeakPolarHBondContact O-CG 3.42Å; D158-R162 PolarHBondContact O-N 3.45Å; Q160-R162 VanDerWaalsContact C-N 3.31Å; Q160-R162 PolarHBondContact O-N 2.85Å; R162-C164 PolarHBondContact O-N 2.96Å; R162-L165 PolarHBondContact O-N 2.87Å; R162-E166 WeakPolarHBondContact O-CG 3.27Å; R162-E166 PolarHBondContact O-N 3.45Å
163R90.4Very high90.6Very high172 Ų17275.2 Ų75.265%0.64939%0.387SS*.Hα-helixtrans-62.1-42.7176-179179.6172.9176.5-1.4111.8P159 Q160 L161 L165 E166 D167P159-R163 PolarHBondContact O-N 3.17Å; Q160-R163 WeakPolarHBondContact O-CB 3.5Å; Q160-R163 PolarHBondContact O-N 3.37Å; Q160-R163 VanDerWaalsContact O-N 3.15Å; L161-R163 PolarHBondContact O-N 3.45Å; R163-L165 VanDerWaalsContact C-N 3.3Å; R163-L165 PolarHBondContact O-N 3.33Å; R163-E166 WeakPolarHBondContact O-CB 3.5Å; R163-E166 PolarHBondContact O-N 2.94Å; R163-D167 PolarHBondContact O-N 3.34Å
164C91.6Very high90.7Very high80 Ų8075.6 Ų75.654%0.54139%0.387SS..Hα-helixtrans-62.1-37.4175.2-65.60000112.4Q160 L161 R162 D167 E168Q160-C164 PolarHBondContact O-N 3.27Å; Q160-C164 PolarHBondContact O-SG 3.09Å; L161-C164 PolarHBondContact O-N 3.4Å; R162-C164 PolarHBondContact O-N 2.96Å; C164-D167 PolarHBondContact O-N 3.34Å; C164-E168 WeakPolarHBondContact O-CB 3.26Å; C164-E168 PolarHBondContact O-N 2.91Å
165L92.7Very high90.8Very high10 Ų1070.9 Ų70.95%0.05237%0.373CS..Hα-helixtrans-73.7-32.5176.5-66.3170000112.5N149 R152 T153 T156 L161 R162 R163 E168 R169N149-L165 PolarHBondContact ND2-O 3.39Å; R152-L165 HydrophobicContact CB-CD1 3.87Å; R152-L165 HydrophobicContact CB-CD2 3.9Å; T153-L165 WeakPolarHBondContact OG1-CB 3.35Å; T156-L165 HydrophobicContact CG2-CD1 3.73Å; L161-L165 HydrophobicContact CD1-CD1 4.23Å; L161-L165 HydrophobicContact CD1-CD2 4.46Å; L161-L165 HydrophobicContact CD1-CG 4.05Å; L161-L165 HydrophobicContact CG-CD1 3.97Å; L161-L165 HydrophobicContact CG-CG 4.28Å; L161-L165 WeakPolarHBondContact O-CB 3.32Å; L161-L165 VanDerWaalsContact O-CG 3.23Å; L161-L165 WeakPolarHBondContact O-CG 3.49Å; L161-L165 PolarHBondContact O-N 2.9Å; R162-L165 PolarHBondContact O-N 2.87Å; R163-L165 VanDerWaalsContact C-N 3.3Å; R163-L165 PolarHBondContact O-N 3.33Å; L165-E168 WeakPolarHBondContact CD2-OE2 3.38Å; L165-E168 PolarHBondContact O-N 3.13Å; L165-R169 WeakPolarHBondContact O-CB 3.11Å; L165-R169 PolarHBondContact O-N 2.79Å
166E90.1Very high90.8Very high93 Ų9366.7 Ų66.744%0.43534%0.343SS..Hα-helixtrans-62.2-45.4169.6-74.8169.7-166.400111.4R162 R163 R169 F170R162-E166 WeakPolarHBondContact O-CG 3.27Å; R162-E166 PolarHBondContact O-N 3.45Å; R163-E166 WeakPolarHBondContact O-CB 3.5Å; R163-E166 PolarHBondContact O-N 2.94Å; E166-R169 WeakPolarHBondContact O-CB 3.1Å; E166-R169 PolarHBondContact O-N 3.4Å; E166-F170 WeakPolarHBondContact O-CD2 3.31Å; E166-F170 VanDerWaalsContact O-CG 3.28Å; E166-F170 WeakPolarHBondContact O-CG 3.29Å; E166-F170 PolarHBondContact O-N 3.37Å; E166-F170 VanDerWaalsContact O-N 3.12Å
167D90.6Very high90.8Very high63 Ų6369.3 Ų69.334%0.33735%0.354SS..Hα-helixtrans-70.7-33.8176.4-70.4-36.1000111.7R163 C164 F170 A171 K271R163-D167 PolarHBondContact O-N 3.34Å; C164-D167 PolarHBondContact O-N 3.34Å; D167-F170 PolarHBondContact O-N 3.46Å; D167-A171 WeakPolarHBondContact O-CB 3.47Å; D167-A171 PolarHBondContact O-N 3.15Å; D167-K271 IonicContact OD1-NZ 2.61Å; D167-K271 PolarHBondContact OD1-NZ 3.44Å
168E92.4Very high90.9Very high68 Ų6867.8 Ų67.832%0.31834%0.335SS..Hα-helixtrans-62.5-42.7169.4-177.2-172.3-14100111.1N149 R152 C164 L165 F170 A171 I172N149-E168 PolarHBondContact ND2-OE2 2.73Å; R152-E168 IonicContact NH1-OE1 3.02Å; R152-E168 PolarHBondContact NH1-OE1 3.35Å; R152-E168 IonicContact NH1-OE2 3.8Å; C164-E168 WeakPolarHBondContact O-CB 3.26Å; C164-E168 PolarHBondContact O-N 2.91Å; L165-E168 WeakPolarHBondContact CD2-OE2 3.38Å; L165-E168 PolarHBondContact O-N 3.13Å; E168-F170 VanDerWaalsContact C-N 3.29Å; E168-F170 PolarHBondContact O-N 3.03Å; E168-A171 WeakPolarHBondContact O-CB 3.4Å; E168-A171 PolarHBondContact O-N 3.23Å; E168-A171 VanDerWaalsContact O-N 3.17Å; E168-I172 HydrophobicContact CG-CD1 4.09Å; E168-I172 WeakPolarHBondContact O-CG1 3.11Å; E168-I172 PolarHBondContact O-N 2.92Å
169R91.7Very high90.8Very high59 Ų5964.5 Ų64.522%0.22332%0.318CS..Hα-helixtrans-58.4-42.7175.2-167.7-179.659.7146-5.2111.3M146 N149 L165 E166 I172 I173M146-R169 HydrophobicContact CE-CG 3.94Å; N149-R169 WeakPolarHBondContact OD1-CB 3.4Å; L165-R169 WeakPolarHBondContact O-CB 3.11Å; L165-R169 PolarHBondContact O-N 2.79Å; E166-R169 WeakPolarHBondContact O-CB 3.1Å; E166-R169 PolarHBondContact O-N 3.4Å; R169-I172 PolarHBondContact O-N 3.15Å; R169-I173 HydrophobicContact CG-CD1 4.01Å; R169-I173 WeakPolarHBondContact O-CD1 3.32Å; R169-I173 VanDerWaalsContact O-CG1 3.3Å; R169-I173 WeakPolarHBondContact O-CG1 3.48Å; R169-I173 PolarHBondContact O-N 3.03Å
170F90.7Very high90.8Very high19 Ų1960 Ų608%0.08329%0.288CS..Hα-helixtrans-66.8-41.9175.8-60.3-27000112E166 D167 E168 I172 I173 L174 K271 F274 V275E166-F170 WeakPolarHBondContact O-CD2 3.31Å; E166-F170 VanDerWaalsContact O-CG 3.28Å; E166-F170 WeakPolarHBondContact O-CG 3.29Å; E166-F170 PolarHBondContact O-N 3.37Å; E166-F170 VanDerWaalsContact O-N 3.12Å; D167-F170 PolarHBondContact O-N 3.46Å; E168-F170 VanDerWaalsContact C-N 3.29Å; E168-F170 PolarHBondContact O-N 3.03Å; F170-I172 VanDerWaalsContact C-N 3.32Å; F170-I172 PolarHBondContact O-N 2.79Å; F170-I173 PolarHBondContact O-N 3.5Å; F170-L174 VanDerWaalsContact O-CB 3.29Å; F170-L174 WeakPolarHBondContact O-CB 3.47Å; F170-L174 VanDerWaalsContact O-CG 3.31Å; F170-L174 WeakPolarHBondContact O-CG 3.33Å; F170-L174 PolarHBondContact O-N 2.86Å; F170-K271 HydrophobicContact CE2-CD 4.03Å; F170-K271 HydrophobicContact CE2-CG 4.5Å; F170-F274 HydrophobicContact CB-CE1 4.24Å; F170-F274 HydrophobicContact CB-CZ 4.25Å; F170-F274 AromaticContact CD1-CD1 3.68Å; F170-F274 HydrophobicContact CD1-CD1 3.68Å; F170-F274 AromaticContact CD1-CE1 3.29Å; F170-F274 HydrophobicContact CD1-CE1 3.29Å; F170-F274 HydrophobicContact CD1-CZ 4.13Å; F170-F274 AromaticContact CE1-CD1 3.74Å; F170-F274 HydrophobicContact CE1-CD1 3.74Å; F170-F274 AromaticContact CE1-CE1 3.82Å; F170-F274 HydrophobicContact CE1-CE1 3.82Å; F170-F274 HydrophobicContact CG-CD1 4.41Å; F170-F274 AromaticContact CG-CE1 3.99Å; F170-F274 HydrophobicContact CG-CE1 3.99Å; F170-F274 HydrophobicContact CG-CZ 4.45Å; F170-V275 HydrophobicContact CE1-CG2 3.64Å; F170-V275 HydrophobicContact CZ-CG2 3.72Å
171A92Very high90.6Very high50 Ų5059.6 Ų59.641%0.41328%0.281SS..Hα-helixtrans-60.8-40175.300000112.1D167 E168 Q175D167-A171 WeakPolarHBondContact O-CB 3.47Å; D167-A171 PolarHBondContact O-N 3.15Å; E168-A171 WeakPolarHBondContact O-CB 3.4Å; E168-A171 PolarHBondContact O-N 3.23Å; E168-A171 VanDerWaalsContact O-N 3.17Å; A171-Q175 WeakPolarHBondContact O-CG 3.35Å; A171-Q175 PolarHBondContact O-N 3.14Å
172I91.9Very high90.4Very high12 Ų1259.5 Ų59.56%0.06228%0.278CS..Hα-helixtrans-61.4-57.7172.4-65.8160.2000109.5L142 L145 M146 N149 E168 R169 F170 L174 Q175L142-I172 HydrophobicContact CD1-CG2 3.8Å; L142-I172 WeakPolarHBondContact CD1-O 3.33Å; L142-I172 HydrophobicContact CG-CG2 3.89Å; L145-I172 HydrophobicContact CB-CD1 4.04Å; L145-I172 HydrophobicContact CB-CG1 4.29Å; L145-I172 HydrophobicContact CB-CG2 4.05Å; M146-I172 HydrophobicContact CG-CB 4.45Å; M146-I172 HydrophobicContact CG-CG2 3.55Å; N149-I172 HydrophobicContact CB-CD1 3.96Å; E168-I172 HydrophobicContact CG-CD1 4.09Å; E168-I172 WeakPolarHBondContact O-CG1 3.11Å; E168-I172 PolarHBondContact O-N 2.92Å; R169-I172 PolarHBondContact O-N 3.15Å; F170-I172 VanDerWaalsContact C-N 3.32Å; F170-I172 PolarHBondContact O-N 2.79Å; I172-L174 PolarHBondContact O-N 3.45Å; I172-L174 VanDerWaalsContact O-N 3.16Å; I172-Q175 WeakPolarHBondContact O-CB 3.46Å; I172-Q175 PolarHBondContact O-N 3.21Å
173I90Very high90.4Very high6 Ų654.4 Ų54.43%0.03126%0.259CS..Hα-helixtrans-57.1-36.2-177.9-65.7155.6000112.3M146 R169 F170 Q175 N176 F179 F274 A278M146-I173 HydrophobicContact CE-CD1 3.76Å; M146-I173 HydrophobicContact CE-CG1 3.77Å; M146-I173 HydrophobicContact SD-CD1 4.32Å; M146-I173 HydrophobicContact SD-CG1 3.64Å; R169-I173 HydrophobicContact CG-CD1 4.01Å; R169-I173 WeakPolarHBondContact O-CD1 3.32Å; R169-I173 VanDerWaalsContact O-CG1 3.3Å; R169-I173 WeakPolarHBondContact O-CG1 3.48Å; R169-I173 PolarHBondContact O-N 3.03Å; F170-I173 PolarHBondContact O-N 3.5Å; I173-Q175 VanDerWaalsContact C-N 3.29Å; I173-Q175 PolarHBondContact O-N 3.15Å; I173-N176 WeakPolarHBondContact O-CB 3.39Å; I173-N176 PolarHBondContact O-N 3.44Å; I173-N176 VanDerWaalsContact O-N 3.16Å; I173-F179 HydrophobicContact CG2-CB 4.48Å; I173-F179 HydrophobicContact CG2-CD1 3.37Å; I173-F179 HydrophobicContact CG2-CD2 4.11Å; I173-F179 HydrophobicContact CG2-CE1 3.47Å; I173-F179 VanDerWaalsContact CG2-CE1 3.47Å; I173-F179 HydrophobicContact CG2-CE2 4.2Å; I173-F179 HydrophobicContact CG2-CG 3.69Å; I173-F179 HydrophobicContact CG2-CZ 3.89Å; I173-F274 HydrophobicContact CB-CE1 4.42Å; I173-F274 HydrophobicContact CB-CZ 4.14Å; I173-F274 HydrophobicContact CD1-CE1 4.12Å; I173-F274 HydrophobicContact CG2-CE1 4.22Å; I173-F274 HydrophobicContact CG2-CZ 3.87Å; I173-A278 HydrophobicContact CD1-CB 3.72Å; I173-A278 HydrophobicContact CG2-CB 4.18Å
174L91.1Very high90.2Very high42 Ų4249.3 Ų49.322%0.2224%0.239CC..Hα-helixtrans-72.3-13177.7-77.2171.1000114.7F170 I172 N176 V180 L183 L263 F274F170-L174 VanDerWaalsContact O-CB 3.29Å; F170-L174 WeakPolarHBondContact O-CB 3.47Å; F170-L174 VanDerWaalsContact O-CG 3.31Å; F170-L174 WeakPolarHBondContact O-CG 3.33Å; F170-L174 PolarHBondContact O-N 2.86Å; I172-L174 PolarHBondContact O-N 3.45Å; I172-L174 VanDerWaalsContact O-N 3.16Å; L174-N176 PolarHBondContact O-N 3.01Å; L174-V180 HydrophobicContact CD2-CG2 4.1Å; L174-L183 HydrophobicContact CD2-CD2 4.48Å; L174-L263 HydrophobicContact CD2-CD1 3.77Å; L174-F274 HydrophobicContact CD1-CE2 4.3Å; L174-F274 HydrophobicContact CD2-CE2 3.82Å; L174-F274 HydrophobicContact CD2-CZ 4.39Å; L174-F274 HydrophobicContact CG-CE2 3.89Å; L174-F274 HydrophobicContact CG-CZ 4.03Å
175Q88.8Confident90.1Very high84 Ų8449.5 Ų49.539%0.39324%0.242SC..THydrogen-bonded Turntrans-73.2-6.3168.1-69.1163.94.200112.5P137 L142 A171 I172 I173P137-Q175 HydrophobicContact CG-CB 4.06Å; L142-Q175 HydrophobicContact CD1-CB 4.11Å; A171-Q175 WeakPolarHBondContact O-CG 3.35Å; A171-Q175 PolarHBondContact O-N 3.14Å; I172-Q175 WeakPolarHBondContact O-CB 3.46Å; I172-Q175 PolarHBondContact O-N 3.21Å; I173-Q175 VanDerWaalsContact C-N 3.29Å; I173-Q175 PolarHBondContact O-N 3.15Å
176N88.5Confident90.1Very high16 Ų1651 Ų519%0.08625%0.25CC..  trans-96.8102.2177.5-171.1-8.2000111.7L142 I173 L174 E178 F179 V180 F281L142-N176 HydrophobicContact CD2-CB 3.69Å; I173-N176 WeakPolarHBondContact O-CB 3.39Å; I173-N176 PolarHBondContact O-N 3.44Å; I173-N176 VanDerWaalsContact O-N 3.16Å; L174-N176 PolarHBondContact O-N 3.01Å; N176-E178 PolarHBondContact O-N 2.82Å; N176-E178 VanDerWaalsContact O-N 3.13Å; N176-E178 VanDerWaalsContact OD1-CB 3.25Å; N176-E178 WeakPolarHBondContact OD1-CB 3.23Å; N176-E178 WeakPolarHBondContact OD1-CG 3.48Å; N176-E178 PolarHBondContact OD1-N 3.09Å; N176-F179 HydrophobicContact CB-CB 4.09Å; N176-F179 WeakPolarHBondContact O-CA 3.41Å; N176-F179 WeakPolarHBondContact O-CB 3.42Å; N176-F179 PolarHBondContact O-N 3.39Å; N176-V180 PolarHBondContact O-N 3.04Å; N176-F281 WeakPolarHBondContact ND2-CE1 3.44Å; N176-F281 WeakPolarHBondContact ND2-CZ 3.31Å
177E88.2Confident90.2Very high73 Ų7350.1 Ų50.134%0.34126%0.259SS..Hα-helixtrans-56.5-25.7175.5-55.7-53.6148.400113.8L136 R181L136-E177 HydrophobicContact CD1-CG 3.94Å; E177-R181 WeakPolarHBondContact O-CB 3.4Å; E177-R181 VanDerWaalsContact O-CG 3.29Å; E177-R181 WeakPolarHBondContact O-CG 3.5Å; E177-R181 PolarHBondContact O-N 3.21Å; E177-R181 VanDerWaalsContact O-N 3.09Å; E177-R181 PolarHBondContact O-NE 3.43Å
178E87.3Confident90.3Very high79 Ų7951.6 Ų51.637%0.36927%0.267SS..Hα-helixtrans-69.1-41.3172.9-51.3-135.3103.500112N176 R181 E182 F281 H285N176-E178 PolarHBondContact O-N 2.82Å; N176-E178 VanDerWaalsContact O-N 3.13Å; N176-E178 VanDerWaalsContact OD1-CB 3.25Å; N176-E178 WeakPolarHBondContact OD1-CB 3.23Å; N176-E178 WeakPolarHBondContact OD1-CG 3.48Å; N176-E178 PolarHBondContact OD1-N 3.09Å; E178-R181 VanDerWaalsContact CG-NH2 3.3Å; E178-R181 IonicContact OE1-NH2 3.87Å; E178-R181 PolarHBondContact OE1-NH2 3.07Å; E178-E182 PolarHBondContact O-N 3.49Å; E178-F281 HydrophobicContact CB-CE2 3.98Å; E178-F281 HydrophobicContact CB-CZ 3.71Å; E178-H285 IonicContact OE2-CE1 3.42Å; E178-H285 PolarHBondContact OE2-CE1 3.14Å
179F90.2Very high90.3Very high1 Ų148.4 Ų48.40%0.00425%0.252CS..Hα-helixtrans-70.6-40.3176.6175.8-96.1000111.1I173 N176 R181 E182 L183 F274 L277 A278 F281I173-F179 HydrophobicContact CG2-CB 4.48Å; I173-F179 HydrophobicContact CG2-CD1 3.37Å; I173-F179 HydrophobicContact CG2-CD2 4.11Å; I173-F179 HydrophobicContact CG2-CE1 3.47Å; I173-F179 VanDerWaalsContact CG2-CE1 3.47Å; I173-F179 HydrophobicContact CG2-CE2 4.2Å; I173-F179 HydrophobicContact CG2-CG 3.69Å; I173-F179 HydrophobicContact CG2-CZ 3.89Å; N176-F179 HydrophobicContact CB-CB 4.09Å; N176-F179 WeakPolarHBondContact O-CA 3.41Å; N176-F179 WeakPolarHBondContact O-CB 3.42Å; N176-F179 PolarHBondContact O-N 3.39Å; F179-R181 VanDerWaalsContact C-N 3.3Å; F179-R181 PolarHBondContact O-N 3.32Å; F179-E182 PolarHBondContact O-N 3Å; F179-L183 HydrophobicContact CE1-CB 4.37Å; F179-L183 HydrophobicContact CE1-CD1 4.35Å; F179-L183 HydrophobicContact CE1-CD2 3.92Å; F179-L183 HydrophobicContact CE1-CG 4.45Å; F179-L183 HydrophobicContact CZ-CD1 4.07Å; F179-L183 HydrophobicContact CZ-CD2 4.45Å; F179-L183 WeakPolarHBondContact O-CB 3.19Å; F179-L183 PolarHBondContact O-N 3.49Å; F179-F274 HydrophobicContact CE1-CD2 4.07Å; F179-F274 HydrophobicContact CE1-CE1 4.35Å; F179-F274 AromaticContact CE1-CE2 3.47Å; F179-F274 HydrophobicContact CE1-CE2 3.47Å; F179-F274 VanDerWaalsContact CE1-CE2 3.47Å; F179-F274 AromaticContact CE1-CZ 3.62Å; F179-F274 HydrophobicContact CE1-CZ 3.62Å; F179-F274 HydrophobicContact CZ-CD2 4.2Å; F179-F274 HydrophobicContact CZ-CE1 4.36Å; F179-F274 AromaticContact CZ-CE2 3.99Å; F179-F274 HydrophobicContact CZ-CE2 3.99Å; F179-F274 HydrophobicContact CZ-CZ 4.05Å; F179-L277 HydrophobicContact CE2-CB 4Å; F179-L277 HydrophobicContact CZ-CB 4.3Å; F179-A278 HydrophobicContact CE2-CB 4.12Å; F179-A278 HydrophobicContact CZ-CB 4.2Å; F179-F281 HydrophobicContact CB-CD1 4.41Å; F179-F281 HydrophobicContact CB-CD2 4.17Å; F179-F281 HydrophobicContact CB-CE1 4.44Å; F179-F281 HydrophobicContact CB-CE2 4.16Å; F179-F281 HydrophobicContact CB-CG 4.32Å; F179-F281 HydrophobicContact CB-CZ 4.32Å; F179-F281 HydrophobicContact CD2-CB 3.8Å; F179-F281 HydrophobicContact CD2-CD1 4.39Å; F179-F281 AromaticContact CD2-CD2 3.95Å; F179-F281 HydrophobicContact CD2-CD2 3.95Å; F179-F281 AromaticContact CD2-CG 3.77Å; F179-F281 HydrophobicContact CD2-CG 3.77Å; F179-F281 HydrophobicContact CE2-CB 4.3Å
180V90.5Very high90.3Very high0 Ų048.7 Ų48.70%026%0.256CS..Hα-helixtrans-60-39.7175.6173.40000111.3L174 N176 R184 F259L174-V180 HydrophobicContact CD2-CG2 4.1Å; N176-V180 PolarHBondContact O-N 3.04Å; V180-R184 PolarHBondContact O-N 2.87Å; V180-F259 HydrophobicContact CG1-CD1 4.28Å; V180-F259 HydrophobicContact CG1-CE1 4.02Å
181R89.3Confident90.3Very high141 Ų14150.1 Ų50.153%0.53227%0.269SS..Hα-helixtrans-64-50.3171.9-74.8-179.8-65.1142.7-1.2112.7E177 E178 F179 L183 R184 S185E177-R181 WeakPolarHBondContact O-CB 3.4Å; E177-R181 VanDerWaalsContact O-CG 3.29Å; E177-R181 WeakPolarHBondContact O-CG 3.5Å; E177-R181 PolarHBondContact O-N 3.21Å; E177-R181 VanDerWaalsContact O-N 3.09Å; E177-R181 PolarHBondContact O-NE 3.43Å; E178-R181 VanDerWaalsContact CG-NH2 3.3Å; E178-R181 IonicContact OE1-NH2 3.87Å; E178-R181 PolarHBondContact OE1-NH2 3.07Å; F179-R181 VanDerWaalsContact C-N 3.3Å; F179-R181 PolarHBondContact O-N 3.32Å; R181-L183 PolarHBondContact O-N 2.84Å; R181-R184 PolarHBondContact O-N 2.72Å; R181-R184 VanDerWaalsContact O-N 3.08Å; R181-S185 PolarHBondContact O-N 3.38Å; R181-S185 PolarHBondContact O-OG 3.14Å
182E88.3Confident90.4Very high74 Ų7448.4 Ų48.435%0.34626%0.255SS..Hα-helixtrans-58.5-37.7177.7-172.283.7-110.500111.5E178 F179 R184 S185 D186 K284E178-E182 PolarHBondContact O-N 3.49Å; F179-E182 PolarHBondContact O-N 3Å; E182-R184 VanDerWaalsContact C-N 3.29Å; E182-R184 PolarHBondContact O-N 3Å; E182-S185 WeakPolarHBondContact CA-OG 3.46Å; E182-S185 PolarHBondContact O-N 2.98Å; E182-S185 PolarHBondContact O-OG 3.12Å; E182-D186 PolarHBondContact O-N 3.29Å; E182-K284 IonicContact OE2-NZ 2.86Å; E182-K284 PolarHBondContact OE2-NZ 3.32Å
183L91.5Very high90.4Very high0 Ų047.9 Ų47.90%025%0.252CS..Hα-helixtrans-66.4-25.9177.7-168.567.4000113.2L174 F179 R181 F189 F259 L263 F274 L277L174-L183 HydrophobicContact CD2-CD2 4.48Å; F179-L183 HydrophobicContact CE1-CB 4.37Å; F179-L183 HydrophobicContact CE1-CD1 4.35Å; F179-L183 HydrophobicContact CE1-CD2 3.92Å; F179-L183 HydrophobicContact CE1-CG 4.45Å; F179-L183 HydrophobicContact CZ-CD1 4.07Å; F179-L183 HydrophobicContact CZ-CD2 4.45Å; F179-L183 WeakPolarHBondContact O-CB 3.19Å; F179-L183 PolarHBondContact O-N 3.49Å; R181-L183 PolarHBondContact O-N 2.84Å; L183-F189 HydrophobicContact CD1-CB 4.44Å; L183-F189 HydrophobicContact CD1-CD1 3.53Å; L183-F189 HydrophobicContact CD1-CD2 3.75Å; L183-F189 HydrophobicContact CD1-CE1 3.57Å; L183-F189 HydrophobicContact CD1-CE2 3.81Å; L183-F189 HydrophobicContact CD1-CG 3.61Å; L183-F189 HydrophobicContact CD1-CZ 3.73Å; L183-F189 HydrophobicContact CD2-CE1 3.82Å; L183-F189 HydrophobicContact CD2-CZ 3.91Å; L183-F189 HydrophobicContact CG-CD1 3.66Å; L183-F189 HydrophobicContact CG-CE1 3.42Å; L183-F189 VanDerWaalsContact CG-CE1 3.42Å; L183-F189 HydrophobicContact CG-CE2 4.48Å; L183-F189 HydrophobicContact CG-CG 4.27Å; L183-F189 HydrophobicContact CG-CZ 3.89Å; L183-F189 VanDerWaalsContact O-CD1 3.3Å; L183-F189 WeakPolarHBondContact O-CD1 3.48Å; L183-F259 HydrophobicContact CB-CZ 4.24Å; L183-F259 HydrophobicContact CD2-CE1 4.22Å; L183-F259 HydrophobicContact CD2-CZ 3.9Å; L183-F259 HydrophobicContact CG-CZ 3.93Å; L183-L263 HydrophobicContact CD2-CD1 4.28Å; L183-L263 HydrophobicContact CD2-CD2 3.77Å; L183-F274 HydrophobicContact CD1-CD2 4.3Å; L183-F274 HydrophobicContact CD2-CD2 3.93Å; L183-F274 HydrophobicContact CD2-CE2 4.08Å; L183-L277 HydrophobicContact CD1-CD1 3.57Å
184R87.8Confident90.5Very high65 Ų6552.3 Ų52.325%0.24527%0.273CS..Hα-helixtrans-80.1-32.1172.6-72.7-176.5-171.3133.929.7113.6V180 R181 E182 D186 E256 F259V180-R184 PolarHBondContact O-N 2.87Å; R181-R184 PolarHBondContact O-N 2.72Å; R181-R184 VanDerWaalsContact O-N 3.08Å; E182-R184 VanDerWaalsContact C-N 3.29Å; E182-R184 PolarHBondContact O-N 3Å; R184-D186 VanDerWaalsContact C-N 3.33Å; R184-E256 IonicContact CZ-OE1 2.88Å; R184-E256 IonicContact CZ-OE2 2.68Å; R184-E256 IonicContact NH1-OE1 3.63Å; R184-E256 IonicContact NH1-OE2 3.66Å; R184-E256 PolarHBondContact NH1-OE2 3.15Å; R184-E256 IonicContact NH2-OE1 2.98Å; R184-E256 PolarHBondContact NH2-OE1 2.99Å; R184-E256 IonicContact NH2-OE2 2.67Å; R184-E256 PolarHBondContact NH2-OE2 3.07Å; R184-F259 HydrophobicContact CG-CD1 4.08Å; R184-F259 HydrophobicContact CG-CD2 3.91Å; R184-F259 HydrophobicContact CG-CE1 3.78Å; R184-F259 HydrophobicContact CG-CE2 3.66Å; R184-F259 HydrophobicContact CG-CG 4.1Å; R184-F259 HydrophobicContact CG-CZ 3.56Å; R184-F259 VanDerWaalsContact NE-CD1 3.32Å; R184-F259 VanDerWaalsContact NH2-CD1 3.28Å
185S88.3Confident90.6Very high84 Ų8455.8 Ų55.859%0.58729%0.286SS*.Hα-helixtrans-76-20.2177.739.90000113.4R181 E182 A187R181-S185 PolarHBondContact O-N 3.38Å; R181-S185 PolarHBondContact O-OG 3.14Å; E182-S185 WeakPolarHBondContact CA-OG 3.46Å; E182-S185 PolarHBondContact O-N 2.98Å; E182-S185 PolarHBondContact O-OG 3.12Å; S185-A187 PolarHBondContact O-N 2.95Å
186D92.4Very high90.7Very high41 Ų4153 Ų5322%0.21927%0.274CS..  trans-75.9107.4179.1-170.6-91.1000112.3E182 R184 D188 F189 M190 L277E182-D186 PolarHBondContact O-N 3.29Å; R184-D186 VanDerWaalsContact C-N 3.33Å; D186-D188 PolarHBondContact O-N 3.46Å; D186-D188 WeakPolarHBondContact OD1-CB 3.14Å; D186-D188 PolarHBondContact OD1-N 2.81Å; D186-F189 HydrophobicContact CB-CB 4.1Å; D186-F189 PolarHBondContact O-N 2.98Å; D186-F189 WeakPolarHBondContact OD1-CB 3.39Å; D186-F189 PolarHBondContact OD1-N 3.34Å; D186-M190 WeakPolarHBondContact O-CG 3.25Å; D186-M190 PolarHBondContact O-N 3.4Å; D186-L277 HydrophobicContact CB-CD1 3.8Å; D186-L277 HydrophobicContact CB-CD2 4.22Å
187A91.8Very high90.9Very high76 Ų7654.3 Ų54.363%0.62828%0.281SS*.Hα-helixtrans-65.3-34.9-177.700000113.4S185 M190 S191S185-A187 PolarHBondContact O-N 2.95Å; A187-M190 PolarHBondContact O-N 3.5Å; A187-S191 WeakPolarHBondContact O-CB 3.31Å; A187-S191 PolarHBondContact O-N 3.08Å
188D92.6Very high90.9Very high94 Ų9455.9 Ų55.950%0.50329%0.288SS..Hα-helixtrans-61.8-46.2177.1-928.4000110.9D186 A192 R273D186-D188 PolarHBondContact O-N 3.46Å; D186-D188 WeakPolarHBondContact OD1-CB 3.14Å; D186-D188 PolarHBondContact OD1-N 2.81Å; D188-A192 WeakPolarHBondContact O-CB 3.31Å; D188-A192 PolarHBondContact O-N 3.33Å; D188-R273 IonicContact OD2-CZ 3.9Å; D188-R273 IonicContact OD2-NH1 3.73Å; D188-R273 PolarHBondContact OD2-NH1 2.88Å
189F93.7Very high90.9Very high0 Ų060.4 Ų60.40%030%0.302CS..Hα-helixtrans-65.4-47.6176.5178.7-99.1000111.7L183 D186 S191 A192 L193 F259 L263 S270 R273 F274 L277L183-F189 HydrophobicContact CD1-CB 4.44Å; L183-F189 HydrophobicContact CD1-CD1 3.53Å; L183-F189 HydrophobicContact CD1-CD2 3.75Å; L183-F189 HydrophobicContact CD1-CE1 3.57Å; L183-F189 HydrophobicContact CD1-CE2 3.81Å; L183-F189 HydrophobicContact CD1-CG 3.61Å; L183-F189 HydrophobicContact CD1-CZ 3.73Å; L183-F189 HydrophobicContact CD2-CE1 3.82Å; L183-F189 HydrophobicContact CD2-CZ 3.91Å; L183-F189 HydrophobicContact CG-CD1 3.66Å; L183-F189 HydrophobicContact CG-CE1 3.42Å; L183-F189 VanDerWaalsContact CG-CE1 3.42Å; L183-F189 HydrophobicContact CG-CE2 4.48Å; L183-F189 HydrophobicContact CG-CG 4.27Å; L183-F189 HydrophobicContact CG-CZ 3.89Å; L183-F189 VanDerWaalsContact O-CD1 3.3Å; L183-F189 WeakPolarHBondContact O-CD1 3.48Å; D186-F189 HydrophobicContact CB-CB 4.1Å; D186-F189 PolarHBondContact O-N 2.98Å; D186-F189 WeakPolarHBondContact OD1-CB 3.39Å; D186-F189 PolarHBondContact OD1-N 3.34Å; F189-S191 VanDerWaalsContact C-N 3.33Å; F189-S191 PolarHBondContact O-N 3.5Å; F189-A192 PolarHBondContact O-N 2.98Å; F189-L193 HydrophobicContact CD1-CD2 4.42Å; F189-L193 HydrophobicContact CE1-CB 4.36Å; F189-L193 HydrophobicContact CE1-CD2 3.54Å; F189-L193 HydrophobicContact CE1-CG 4.5Å; F189-L193 HydrophobicContact CZ-CB 4.43Å; F189-L193 HydrophobicContact CZ-CD2 3.82Å; F189-L193 HydrophobicContact CZ-CG 4.49Å; F189-L193 VanDerWaalsContact O-CB 3.24Å; F189-L193 WeakPolarHBondContact O-CB 3.16Å; F189-L193 PolarHBondContact O-N 3.43Å; F189-F259 HydrophobicContact CE1-CE2 4.24Å; F189-F259 HydrophobicContact CE1-CZ 4.17Å; F189-L263 HydrophobicContact CE1-CD2 3.75Å; F189-L263 HydrophobicContact CZ-CD2 3.48Å; F189-L263 VanDerWaalsContact CZ-CD2 3.48Å; F189-S270 WeakPolarHBondContact CE2-O 3.16Å; F189-S270 WeakPolarHBondContact CE2-OG 3.44Å; F189-R273 HydrophobicContact CB-CB 4.42Å; F189-R273 HydrophobicContact CD2-CB 3.85Å; F189-F274 HydrophobicContact CE2-CB 4Å; F189-L277 HydrophobicContact CB-CD1 3.87Å; F189-L277 HydrophobicContact CD2-CD1 4.49Å; F189-L277 HydrophobicContact CG-CD1 4.25Å
190M91.7Very high90.6Very high65 Ų6561.6 Ų61.632%0.3232%0.315SS..Hα-helixtrans-61.7-39.5179.5-71.7-65.4-80.700112.2D186 A187 Q194 F259D186-M190 WeakPolarHBondContact O-CG 3.25Å; D186-M190 PolarHBondContact O-N 3.4Å; A187-M190 PolarHBondContact O-N 3.5Å; M190-Q194 WeakPolarHBondContact O-CB 3.46Å; M190-Q194 PolarHBondContact O-N 3.05Å; M190-F259 HydrophobicContact SD-CD2 4.25Å; M190-F259 HydrophobicContact SD-CE2 3.69Å
191S90.6Very high90.2Very high50 Ų5064.1 Ų64.135%0.3534%0.335SS..Hα-helixtrans-64.7-45.9173.4-171.40000112.2A187 F189 Q194 K195A187-S191 WeakPolarHBondContact O-CB 3.31Å; A187-S191 PolarHBondContact O-N 3.08Å; F189-S191 VanDerWaalsContact C-N 3.33Å; F189-S191 PolarHBondContact O-N 3.5Å; S191-Q194 PolarHBondContact O-N 2.86Å; S191-K195 WeakPolarHBondContact O-CG 3.21Å; S191-K195 PolarHBondContact O-N 3.23Å; S191-K195 VanDerWaalsContact O-N 3.1Å; S191-K195 PolarHBondContact OG-NZ 3.44Å
192A93Very high89.7Confident14 Ų1464.3 Ų64.312%0.11634%0.34CS..Hα-helixtrans-63.6-42.6177.600000112.2D188 F189 K195 D196 R273D188-A192 WeakPolarHBondContact O-CB 3.31Å; D188-A192 PolarHBondContact O-N 3.33Å; F189-A192 PolarHBondContact O-N 2.98Å; A192-K195 PolarHBondContact O-N 3.36Å; A192-D196 WeakPolarHBondContact O-CB 3.47Å; A192-D196 PolarHBondContact O-N 3.02Å; A192-R273 HydrophobicContact CB-CG 4.25Å
193L93.4Very high89.2Confident0 Ų066.7 Ų66.70%035%0.351CS..Hα-helixtrans-68.9-32.8179.4-174.763000112.5F189 N197 F259 K262 L263 M266 S270F189-L193 HydrophobicContact CD1-CD2 4.42Å; F189-L193 HydrophobicContact CE1-CB 4.36Å; F189-L193 HydrophobicContact CE1-CD2 3.54Å; F189-L193 HydrophobicContact CE1-CG 4.5Å; F189-L193 HydrophobicContact CZ-CB 4.43Å; F189-L193 HydrophobicContact CZ-CD2 3.82Å; F189-L193 HydrophobicContact CZ-CG 4.49Å; F189-L193 VanDerWaalsContact O-CB 3.24Å; F189-L193 WeakPolarHBondContact O-CB 3.16Å; F189-L193 PolarHBondContact O-N 3.43Å; L193-N197 WeakPolarHBondContact O-CB 3.33Å; L193-N197 PolarHBondContact O-N 2.88Å; L193-N197 VanDerWaalsContact O-N 3.15Å; L193-F259 HydrophobicContact CD2-CE2 4.3Å; L193-K262 HydrophobicContact CD1-CG 4.21Å; L193-K262 HydrophobicContact CD2-CD 4.35Å; L193-K262 HydrophobicContact CD2-CG 3.63Å; L193-K262 HydrophobicContact CG-CD 4.3Å; L193-K262 HydrophobicContact CG-CG 3.66Å; L193-L263 HydrophobicContact CD2-CD2 3.94Å; L193-M266 HydrophobicContact CD1-CB 3.55Å; L193-S270 WeakPolarHBondContact CD1-OG 3.31Å
194Q91.6Very high88.5Confident100 Ų10073.6 Ų73.647%0.46738%0.377SS..Hα-helixtrans-64.8-50.6170.1176.3167-1600111.5M190 S191 D196 N197 E198M190-Q194 WeakPolarHBondContact O-CB 3.46Å; M190-Q194 PolarHBondContact O-N 3.05Å; S191-Q194 PolarHBondContact O-N 2.86Å; Q194-D196 VanDerWaalsContact C-N 3.32Å; Q194-D196 PolarHBondContact O-N 2.91Å; Q194-N197 PolarHBondContact O-N 3.15Å; Q194-N197 VanDerWaalsContact O-N 3.15Å; Q194-E198 HydrophobicContact CG-CG 4.38Å; Q194-E198 WeakPolarHBondContact CG-OE1 3.42Å; Q194-E198 PolarHBondContact NE2-OE1 3.05Å; Q194-E198 WeakPolarHBondContact O-CG 3.49Å; Q194-E198 PolarHBondContact O-N 3.23Å
195K92.1Very high87.8Confident114 Ų11474.9 Ų74.950%0.49639%0.393SS..Hα-helixtrans-59.6-39.9178.8-71.3165.2179.5164.30112.7S191 A192 R199S191-K195 WeakPolarHBondContact O-CG 3.21Å; S191-K195 PolarHBondContact O-N 3.23Å; S191-K195 VanDerWaalsContact O-N 3.1Å; S191-K195 PolarHBondContact OG-NZ 3.44Å; A192-K195 PolarHBondContact O-N 3.36Å; K195-R199 WeakPolarHBondContact O-CD 3.27Å; K195-R199 VanDerWaalsContact O-CG 3.25Å; K195-R199 WeakPolarHBondContact O-CG 3.19Å; K195-R199 PolarHBondContact O-N 3.43Å; K195-R199 VanDerWaalsContact O-N 3.14Å
196D92.5Very high87Confident26 Ų2675.5 Ų75.514%0.13939%0.389CS..Hα-helixtrans-66.7-39.7176.9-76.9-16.1000111.5A192 Q194 G200 G267 S270A192-D196 WeakPolarHBondContact O-CB 3.47Å; A192-D196 PolarHBondContact O-N 3.02Å; Q194-D196 VanDerWaalsContact C-N 3.32Å; Q194-D196 PolarHBondContact O-N 2.91Å; D196-G200 PolarHBondContact O-N 2.97Å; D196-G267 VanDerWaalsContact OD2-C 3.24Å; D196-G267 WeakPolarHBondContact OD2-CA 3.31Å; D196-G267 PolarHBondContact OD2-N 2.91Å; D196-G267 VanDerWaalsContact OD2-N 3.13Å; D196-S270 WeakPolarHBondContact OD2-CB 3.44Å; D196-S270 PolarHBondContact OD2-N 3.02Å
197N91.3Very high85.7Confident44 Ų4483.1 Ų83.124%0.23542%0.415CS..Hα-helixtrans-68.9-39.6175.3-88.222.2000113.5L193 Q194 R199 G200 A201 K262L193-N197 WeakPolarHBondContact O-CB 3.33Å; L193-N197 PolarHBondContact O-N 2.88Å; L193-N197 VanDerWaalsContact O-N 3.15Å; Q194-N197 PolarHBondContact O-N 3.15Å; Q194-N197 VanDerWaalsContact O-N 3.15Å; N197-R199 VanDerWaalsContact C-N 3.32Å; N197-R199 PolarHBondContact O-N 3.22Å; N197-G200 PolarHBondContact O-N 3.37Å; N197-A201 VanDerWaalsContact O-CB 3.31Å; N197-A201 WeakPolarHBondContact O-CB 3.1Å; N197-A201 PolarHBondContact O-N 3.12Å; N197-K262 VanDerWaalsContact ND2-CG 3.33Å; N197-K262 WeakPolarHBondContact ND2-CG 3.48Å
198E88.1Confident84.2Confident106 Ų10682.6 Ų82.650%0.49541%0.41SS..Hα-helixtrans-62.1-41.2176.3-72.9164.5179.200111.1Q194 A201 K202Q194-E198 HydrophobicContact CG-CG 4.38Å; Q194-E198 WeakPolarHBondContact CG-OE1 3.42Å; Q194-E198 PolarHBondContact NE2-OE1 3.05Å; Q194-E198 WeakPolarHBondContact O-CG 3.49Å; Q194-E198 PolarHBondContact O-N 3.23Å; E198-A201 PolarHBondContact O-N 2.99Å; E198-K202 PolarHBondContact O-N 3.21Å; E198-K202 VanDerWaalsContact O-N 3.08Å
199R87.8Confident82.6Confident173 Ų17383.1 Ų83.165%0.65342%0.422SS*.Hα-helixtrans-62.6-49.6172.5-71.2168.2-178.5-86.7-2111.7K195 N197 A201 K202 E203K195-R199 WeakPolarHBondContact O-CD 3.27Å; K195-R199 VanDerWaalsContact O-CG 3.25Å; K195-R199 WeakPolarHBondContact O-CG 3.19Å; K195-R199 PolarHBondContact O-N 3.43Å; K195-R199 VanDerWaalsContact O-N 3.14Å; N197-R199 VanDerWaalsContact C-N 3.32Å; N197-R199 PolarHBondContact O-N 3.22Å; R199-A201 VanDerWaalsContact C-N 3.29Å; R199-A201 PolarHBondContact O-N 3.37Å; R199-K202 PolarHBondContact O-N 3.31Å; R199-E203 PolarHBondContact O-N 2.93Å
200G83.9Confident80.7Confident27 Ų2788.7 Ų88.728%0.27846%0.456SS..Hα-helixtrans-63.6-31.6178.200000113.8D196 N197 R204D196-G200 PolarHBondContact O-N 2.97Å; N197-G200 PolarHBondContact O-N 3.37Å; G200-R204 WeakPolarHBondContact O-CB 3.4Å; G200-R204 WeakPolarHBondContact O-CG 3.27Å; G200-R204 PolarHBondContact O-N 2.99Å; G200-R204 VanDerWaalsContact O-N 3.14Å
201A81.6Confident78.7Confident52 Ų5293.1 Ų93.143%0.4348%0.476SS..Hα-helixtrans-68.2-44.7173.400000111.4N197 E198 R199 R204 T205N197-A201 VanDerWaalsContact O-CB 3.31Å; N197-A201 WeakPolarHBondContact O-CB 3.1Å; N197-A201 PolarHBondContact O-N 3.12Å; E198-A201 PolarHBondContact O-N 2.99Å; R199-A201 VanDerWaalsContact C-N 3.29Å; R199-A201 PolarHBondContact O-N 3.37Å; A201-R204 PolarHBondContact O-N 3.25Å; A201-T205 PolarHBondContact O-N 3.13Å; A201-T205 PolarHBondContact O-OG1 3.14Å; A201-T205 VanDerWaalsContact O-OG1 3.13Å
202K80.4Confident76.3Confident145 Ų14596.8 Ų96.863%0.6350%0.498SS*.Hα-helixtrans-59.8-49.6176.3-171.1173.3179.8178.10111.8E198 R199 R204 T205 D206E198-K202 PolarHBondContact O-N 3.21Å; E198-K202 VanDerWaalsContact O-N 3.08Å; R199-K202 PolarHBondContact O-N 3.31Å; K202-R204 VanDerWaalsContact C-N 3.26Å; K202-R204 PolarHBondContact O-N 3.29Å; K202-T205 PolarHBondContact O-N 3.42Å; K202-T205 VanDerWaalsContact O-N 3.13Å; K202-D206 VanDerWaalsContact O-CG 3.3Å; K202-D206 PolarHBondContact O-N 3.26Å
203E77.5Confident74.2Confident125 Ų125104.2 Ų104.258%0.58453%0.533SS*.Hα-helixtrans-60.6-32.3177-71-179.8-163.500113.5R199 R207R199-E203 PolarHBondContact O-N 2.93Å; E203-R207 PolarHBondContact O-N 3.22Å
204R75.6Confident72.3Confident145 Ų145110.1 Ų110.155%0.54757%0.571SS.*Hα-helixtrans-70.3-43.6174.1-77172.9-172.8-159.31.8111.7G200 A201 K202 R207 A208 H265G200-R204 WeakPolarHBondContact O-CB 3.4Å; G200-R204 WeakPolarHBondContact O-CG 3.27Å; G200-R204 PolarHBondContact O-N 2.99Å; G200-R204 VanDerWaalsContact O-N 3.14Å; A201-R204 PolarHBondContact O-N 3.25Å; K202-R204 VanDerWaalsContact C-N 3.26Å; K202-R204 PolarHBondContact O-N 3.29Å; R204-R207 PolarHBondContact O-N 3.27Å; R204-A208 WeakPolarHBondContact O-CB 3.28Å; R204-A208 PolarHBondContact O-N 2.88Å; R204-H265 PolarHBondContact NH2-CD2 2.91Å; R204-H265 PolarHBondContact NH2-CE1 2.83Å; R204-H265 VanDerWaalsContact NH2-CE1 3.31Å; R204-H265 PolarHBondContact NH2-NE2 3.17Å
205T74.1Confident70Confident92 Ų92111.5 Ų111.556%0.56459%0.586SS**Hα-helixtrans-64.7-44.4177.6-57.90000111.4A201 K202 R207 A208 S209A201-T205 PolarHBondContact O-N 3.13Å; A201-T205 PolarHBondContact O-OG1 3.14Å; A201-T205 VanDerWaalsContact O-OG1 3.13Å; K202-T205 PolarHBondContact O-N 3.42Å; K202-T205 VanDerWaalsContact O-N 3.13Å; T205-R207 VanDerWaalsContact C-N 3.29Å; T205-R207 PolarHBondContact O-N 2.92Å; T205-A208 PolarHBondContact O-N 2.94Å; T205-A208 VanDerWaalsContact O-N 3.11Å; T205-S209 WeakPolarHBondContact O-CB 3.39Å; T205-S209 PolarHBondContact O-N 3.13Å
206D72.1Confident67.9Low96 Ų96114 Ų11451%0.51360%0.604SS.*Hα-helixtrans-60.8-38.1178.5-66.2-25.1000111.4K202K202-D206 VanDerWaalsContact O-CG 3.3Å; K202-D206 PolarHBondContact O-N 3.26Å
207R64.5Low65.7Low201 Ų201117.7 Ų117.776%0.75863%0.633SS**Hα-helixtrans-74.1-33.3172.4-88.6-172.2163.6121.7-2.6114.5E203 R204 T205 S209E203-R207 PolarHBondContact O-N 3.22Å; R204-R207 PolarHBondContact O-N 3.27Å; T205-R207 VanDerWaalsContact C-N 3.29Å; T205-R207 PolarHBondContact O-N 2.92Å; R207-S209 VanDerWaalsContact C-N 3.35Å
208A60.9Low63.7Low65 Ų65120.7 Ų120.754%0.53766%0.657SS.*Hα-helixtrans-70.8-33178.200000111.9R204 T205 T210 Q211R204-A208 WeakPolarHBondContact O-CB 3.28Å; R204-A208 PolarHBondContact O-N 2.88Å; T205-A208 PolarHBondContact O-N 2.94Å; T205-A208 VanDerWaalsContact O-N 3.11Å; A208-T210 PolarHBondContact O-N 3.48Å; A208-T210 VanDerWaalsContact O-N 3.15Å; A208-Q211 PolarHBondContact O-N 2.89Å
209S59Low61.9Low106 Ų106121.4 Ų121.474%0.74167%0.671SS**THydrogen-bonded Turntrans-65.8-12.6179.5-161.30000114.2T205 R207T205-S209 WeakPolarHBondContact O-CB 3.39Å; T205-S209 PolarHBondContact O-N 3.13Å; R207-S209 VanDerWaalsContact C-N 3.35Å
210T53.2Low59.9Low116 Ų116120.1 Ų120.171%0.71268%0.682SS**THydrogen-bonded Turntrans-939.7177.5-350000113.6A208A208-T210 PolarHBondContact O-N 3.48Å; A208-T210 VanDerWaalsContact O-N 3.15Å
211Q49.8Very low58.1Low159 Ų159123.1 Ų123.174%0.74370%0.704SS**SBendtrans-104.2117.6176.4-65.3-118.5-32.500111.2A208 M213A208-Q211 PolarHBondContact O-N 2.89Å; Q211-M213 PolarHBondContact O-N 2.94Å
212P40.8Very low56.1Low126 Ų126127.5 Ų127.582%0.81872%0.721SS**  trans-73.9128.3178.329.3-33000111.2
213M48.1Very low54.7Low171 Ų171127.9 Ų127.984%0.84273%0.728SS**  trans-72.1131.9179.5-61.5-77.7-89.500111.1Q211 V215Q211-M213 PolarHBondContact O-N 2.94Å; M213-V215 PolarHBondContact O-N 3.11Å
214P53.9Low52.9Low123 Ų123125.3 Ų125.380%0.79974%0.735SS**  trans-75.9109.3166.130.1-30.7000109.6
215V42.8Very low51.9Low130 Ų130124.6 Ų124.679%0.78875%0.749SS**  trans-67.1132.2165.3-71.10000109.4M213M213-V215 PolarHBondContact O-N 3.11Å
216N47.9Very low50.6Low165 Ų165129 Ų12988%0.88276%0.763SS**  trans-145.1112.1161.5-118.30.2000111.7
217S46.8Very low49.6Very low105 Ų105130.1 Ų130.173%0.73478%0.778SS**  trans-58.2137.7179.6-39.80000113.5
218S48.4Very low49.2Very low106 Ų106126.7 Ų126.774%0.74178%0.783SS**  161141.595.6-85.50000112.2
219P50.4Low48.1Very low122 Ų122128.1 Ų128.179%0.79279%0.794SS**  trans-90.6152.3173.436.5-33000111.9
220T45.7Very low47.4Very low145 Ų145128.4 Ų128.489%0.8980%0.796SS**  trans-148.7136.9162.9-10.90000111.4
221A45.7Very low46.9Very low90 Ų90129.3 Ų129.374%0.74480%0.802SS**  trans-48.5164.7177.200000113.9
222D41.1Very low46.2Very low144 Ų144125.3 Ų125.377%0.7780%0.803SS**  175.9172.455.5-167.411.2000111.1
223I49.8Very low46.3Very low154 Ų154125.1 Ų125.179%0.7981%0.805SS**  trans72.9110.9162.1-43.4-175.3000118.9
224G40.5Very low46Very low71 Ų71128.3 Ų128.373%0.73281%0.809SS**  trans128.58413100000118.9
225P54.4Low45.7Very low129 Ų129126 Ų12684%0.83881%0.807SS**  trans-114.4116.8166.934.9-21.8000112.8
226E46.7Very low45.7Very low185 Ų185127.5 Ų127.586%0.86481%0.811SS**  trans-144.2105.3163.958.6-170.8138.500115.2
227S52.3Low45.9Very low119 Ų119123.6 Ų123.683%0.83280%0.802SS**  67134.7126.8-58.50000122.9
228P54.5Low45.9Very low130 Ų130124 Ų12484%0.84480%0.802SS**  trans-102.5150.2178.139.3-33.8000114.6
229A37.7Very low46Very low94 Ų94126.9 Ų126.978%0.77781%0.809SS**  trans-161.9120.7156.800000108.1
230S44.7Very low45.7Very low112 Ų112124.2 Ų124.278%0.78380%0.803SS**  56.1105.887.3-1710000114.6
231T43.5Very low45.9Very low136 Ų136125.4 Ų125.483%0.83480%0.801SS**  179128.2119.6-710000107.9
232G34.6Very low46.5Very low74 Ų74124 Ų12476%0.76380%0.795SS**  trans-82.4172.6-173.100000114.4
233S42.2Very low47.4Very low123 Ų123122.8 Ų122.886%0.8680%0.795SS**  trans-150.1154.8157-163.50000110.9
234Y41.7Very low47.4Very low237 Ų237122.4 Ų122.493%0.92979%0.788SS**  trans-72.4145.8-171.6-77.7-118000112
235G48.9Very low48.3Very low74 Ų74124.7 Ų124.776%0.76379%0.79SS**  trans-172.139.5-178.400000114
236D41.4Very low48.1Very low162 Ų162128.4 Ų128.487%0.86679%0.789SS**  trans-76.6115.9165.3-176.432.4000108.7
237A52.1Low48.2Very low84 Ų84123.4 Ų123.469%0.69477%0.771SS**  trans-150101.6-178.300000109.8D239A237-D239 PolarHBondContact O-N 3.31Å
238P48.4Very low48Very low112 Ų112125.9 Ų125.973%0.72777%0.767SS**  trans-9773.8-173.637-34.4000112.7
239D49.5Very low47.6Very low168 Ų168126 Ų12690%0.89877%0.765SS**  trans-151.9146171.8-82.7-56.6000108.2A237A237-D239 PolarHBondContact O-N 3.31Å
240G44.3Very low48Very low65 Ų65126.6 Ų126.667%0.6775%0.754SS**  cis170.6146.2-0.400000108
241M51Low48.3Very low170 Ų170124.5 Ų124.584%0.83774%0.739SS**  trans68.165.2172.2-14367.2177.800118.1
242G58.1Low48.9Very low60 Ų60124.7 Ų124.762%0.61973%0.731SS**  trans-69.6156.6159.300000112.6
243P58.8Low50.1Low120 Ų120128 Ų12878%0.77973%0.731SS**SBendtrans-54.6141178.2-2635000113.1
244F50Low51Low145 Ų145130.1 Ų130.164%0.63673%0.725SS**  trans-41.9136.3-169.9-76-96.6000114.7Y246 T247F244-Y246 PolarHBondContact O-N 3.47Å; F244-T247 HydrophobicContact CB-CG2 4.41Å; F244-T247 PolarHBondContact O-N 3.21Å; F244-T247 PolarHBondContact O-OG1 3.13Å
245P59.4Low52.5Low119 Ų119123.4 Ų123.477%0.77371%0.705SS**THydrogen-bonded Turntrans-67.19-179.528.9-36.4000115.3
246Y51Low53.9Low208 Ų208121.9 Ų121.982%0.81668%0.678SS**THydrogen-bonded Turntrans-116.2-5175.9-64.1-71.8000113.8F244 K248F244-Y246 PolarHBondContact O-N 3.47Å; Y246-K248 PolarHBondContact O-N 3.41Å; Y246-K248 VanDerWaalsContact O-N 3.08Å
247T47.4Very low55.8Low80 Ų80117.2 Ų117.249%0.49166%0.662SS.*  trans-8284.5170.954.50000110.2F244 T249F244-T247 HydrophobicContact CB-CG2 4.41Å; F244-T247 PolarHBondContact O-N 3.21Å; F244-T247 PolarHBondContact O-OG1 3.13Å; T247-T249 PolarHBondContact O-N 2.95Å
248K49.3Very low57.2Low171 Ų171120.7 Ų120.774%0.74366%0.658SS**  trans-71.163.5165.9-73.4-164.5177.1-177.80111.5Y246 I250Y246-K248 PolarHBondContact O-N 3.41Å; Y246-K248 VanDerWaalsContact O-N 3.08Å; K248-I250 HydrophobicContact CB-CD1 4.1Å; K248-I250 HydrophobicContact CB-CG1 4.28Å; K248-I250 HydrophobicContact CD-CD1 4.31Å; K248-I250 HydrophobicContact CG-CD1 3.84Å; K248-I250 PolarHBondContact O-N 2.94Å
249T45.9Very low58.9Low131 Ų131115.8 Ų115.880%0.80463%0.625SS**  trans-8058.2161.855.90000108.9T247T247-T249 PolarHBondContact O-N 2.95Å
250I45.6Very low60.6Low108 Ų108111.3 Ų111.355%0.55460%0.599SS**  trans-103.394-170.6-59.8172.4000109.2K248 E252K248-I250 HydrophobicContact CB-CD1 4.1Å; K248-I250 HydrophobicContact CB-CG1 4.28Å; K248-I250 HydrophobicContact CD-CD1 4.31Å; K248-I250 HydrophobicContact CG-CD1 3.84Å; K248-I250 PolarHBondContact O-N 2.94Å; I250-E252 PolarHBondContact O-N 3.24Å
251S51.7Low62.6Low67 Ų67112.5 Ų112.547%0.46959%0.587SS.*SBendtrans62.315.4155.9-51.10000117.7D253 K254 N255S251-D253 PolarHBondContact O-N 2.82Å; S251-K254 PolarHBondContact O-N 3.4Å; S251-N255 PolarHBondContact O-N 3.42Å; S251-N255 PolarHBondContact O-ND2 3.34Å
252E56.4Low64.3Low140 Ų140105.6 Ų105.665%0.65455%0.552SS**Hα-helixtrans-59.6-46.9-175.9-60.6-167.4148.900111.8I250 K254 N255 E256I250-E252 PolarHBondContact O-N 3.24Å; E252-K254 VanDerWaalsContact C-N 3.3Å; E252-K254 PolarHBondContact O-N 3.06Å; E252-N255 CarbonylContact O-C 3.56Å; E252-N255 PolarHBondContact O-N 3.42Å; E252-E256 WeakPolarHBondContact O-CB 3.38Å; E252-E256 PolarHBondContact O-N 3.48Å
253D58.9Low65.8Low143 Ų143103.1 Ų103.177%0.76553%0.525SS*.Hα-helixtrans-60.2-33.6179.4-51.3-39.7000114.3S251 E256 A257S251-D253 PolarHBondContact O-N 2.82Å; D253-E256 WeakPolarHBondContact O-CB 3.39Å; D253-A257 PolarHBondContact O-N 2.96Å; D253-A257 VanDerWaalsContact O-N 3.13Å
254K62.2Low67Low168 Ų168105.9 Ų105.973%0.7352%0.52SS*.Hα-helixtrans-72.3-37.3177.7-70.9-176.5178.2179.20110.9S251 E252 Y258S251-K254 PolarHBondContact O-N 3.4Å; E252-K254 VanDerWaalsContact C-N 3.3Å; E252-K254 PolarHBondContact O-N 3.06Å; K254-Y258 WeakPolarHBondContact O-CB 3.41Å; K254-Y258 PolarHBondContact O-N 3.22Å
255N73.2Confident68.6Low97 Ų97102.3 Ų102.352%0.51951%0.505SS..Hα-helixtrans-73.8-35176.2-63.8-20.8000111.1S251 E252 F259S251-N255 PolarHBondContact O-N 3.42Å; S251-N255 PolarHBondContact O-ND2 3.34Å; E252-N255 CarbonylContact O-C 3.56Å; E252-N255 PolarHBondContact O-N 3.42Å; N255-F259 WeakPolarHBondContact O-CB 3.42Å; N255-F259 PolarHBondContact O-N 3.37Å
256E77.5Confident70Confident42 Ų4297.9 Ų97.920%0.19647%0.474CS..Hα-helixtrans-55.5-59.1172.6-169.365.6-117.300111R184 E252 D253 Y258 F259 H260R184-E256 IonicContact CZ-OE1 2.88Å; R184-E256 IonicContact CZ-OE2 2.68Å; R184-E256 IonicContact NH1-OE1 3.63Å; R184-E256 IonicContact NH1-OE2 3.66Å; R184-E256 PolarHBondContact NH1-OE2 3.15Å; R184-E256 IonicContact NH2-OE1 2.98Å; R184-E256 PolarHBondContact NH2-OE1 2.99Å; R184-E256 IonicContact NH2-OE2 2.67Å; R184-E256 PolarHBondContact NH2-OE2 3.07Å; E252-E256 WeakPolarHBondContact O-CB 3.38Å; E252-E256 PolarHBondContact O-N 3.48Å; D253-E256 WeakPolarHBondContact O-CB 3.39Å; E256-Y258 PolarHBondContact O-N 2.8Å; E256-F259 PolarHBondContact O-N 3.26Å; E256-H260 PolarHBondContact O-CD2 2.66Å; E256-H260 VanDerWaalsContact O-CD2 3.25Å; E256-H260 PolarHBondContact O-N 3.15Å; E256-H260 IonicContact OE1-CD2 3.98Å; E256-H260 PolarHBondContact OE1-CD2 2.89Å; E256-H260 IonicContact OE1-CE1 2.67Å; E256-H260 IonicContact OE1-NE2 3.88Å; E256-H260 PolarHBondContact OE1-NE2 2.84Å
257A80.2Confident71.8Confident63 Ų6389 Ų8952%0.52145%0.446SS..Hα-helixtrans-62.6-42.4-17900000112.8D253 F259 H260 E261D253-A257 PolarHBondContact O-N 2.96Å; D253-A257 VanDerWaalsContact O-N 3.13Å; A257-F259 VanDerWaalsContact C-N 3.34Å; A257-H260 PolarHBondContact O-N 3.43Å; A257-E261 PolarHBondContact O-N 3.47Å; A257-E261 VanDerWaalsContact O-N 3.15Å
258Y81.7Confident73.9Confident158 Ų15894.5 Ų94.562%0.6246%0.463SS*.Hα-helixtrans-62.9-40.8175.1177.3-97.1000112K254 E256 K262K254-Y258 WeakPolarHBondContact O-CB 3.41Å; K254-Y258 PolarHBondContact O-N 3.22Å; E256-Y258 PolarHBondContact O-N 2.8Å; Y258-K262 HydrophobicContact CE1-CD 4.23Å; Y258-K262 WeakPolarHBondContact O-CB 3.16Å; Y258-K262 PolarHBondContact O-N 2.85Å
259F85.4Confident75.8Confident8 Ų889 Ų894%0.03545%0.449CS..Hα-helixtrans-66.1-43.6177.4-178.8-106.4000111.8V180 L183 R184 F189 M190 L193 N255 E256 A257 E261 K262 L263V180-F259 HydrophobicContact CG1-CD1 4.28Å; V180-F259 HydrophobicContact CG1-CE1 4.02Å; L183-F259 HydrophobicContact CB-CZ 4.24Å; L183-F259 HydrophobicContact CD2-CE1 4.22Å; L183-F259 HydrophobicContact CD2-CZ 3.9Å; L183-F259 HydrophobicContact CG-CZ 3.93Å; R184-F259 HydrophobicContact CG-CD1 4.08Å; R184-F259 HydrophobicContact CG-CD2 3.91Å; R184-F259 HydrophobicContact CG-CE1 3.78Å; R184-F259 HydrophobicContact CG-CE2 3.66Å; R184-F259 HydrophobicContact CG-CG 4.1Å; R184-F259 HydrophobicContact CG-CZ 3.56Å; R184-F259 VanDerWaalsContact NE-CD1 3.32Å; R184-F259 VanDerWaalsContact NH2-CD1 3.28Å; F189-F259 HydrophobicContact CE1-CE2 4.24Å; F189-F259 HydrophobicContact CE1-CZ 4.17Å; M190-F259 HydrophobicContact SD-CD2 4.25Å; M190-F259 HydrophobicContact SD-CE2 3.69Å; L193-F259 HydrophobicContact CD2-CE2 4.3Å; N255-F259 WeakPolarHBondContact O-CB 3.42Å; N255-F259 PolarHBondContact O-N 3.37Å; E256-F259 PolarHBondContact O-N 3.26Å; A257-F259 VanDerWaalsContact C-N 3.34Å; F259-E261 PolarHBondContact O-N 3.31Å; F259-K262 CarbonylContact O-C 3.56Å; F259-K262 WeakPolarHBondContact O-CB 3.33Å; F259-K262 PolarHBondContact O-N 2.92Å; F259-L263 HydrophobicContact CD1-CD1 3.68Å; F259-L263 HydrophobicContact CD1-CG 4.04Å; F259-L263 HydrophobicContact CE1-CD1 3.41Å; F259-L263 VanDerWaalsContact CE1-CD1 3.41Å; F259-L263 HydrophobicContact CE1-CD2 4.13Å; F259-L263 HydrophobicContact CE1-CG 3.86Å; F259-L263 HydrophobicContact CE2-CD2 4.29Å; F259-L263 HydrophobicContact CE2-CG 4.44Å; F259-L263 HydrophobicContact CG-CG 4.48Å; F259-L263 HydrophobicContact CZ-CD1 4.05Å; F259-L263 HydrophobicContact CZ-CD2 3.89Å; F259-L263 HydrophobicContact CZ-CG 4.08Å; F259-L263 WeakPolarHBondContact O-CG 3.33Å; F259-L263 PolarHBondContact O-N 3.48Å
260H85Confident78Confident74 Ų7482.7 Ų82.734%0.34341%0.411SS..Hα-helixtrans-60.3-44.5175.7-79-64.4000113.3E256 A257 K262 L263 R264E256-H260 PolarHBondContact O-CD2 2.66Å; E256-H260 VanDerWaalsContact O-CD2 3.25Å; E256-H260 PolarHBondContact O-N 3.15Å; E256-H260 IonicContact OE1-CD2 3.98Å; E256-H260 PolarHBondContact OE1-CD2 2.89Å; E256-H260 IonicContact OE1-CE1 2.67Å; E256-H260 IonicContact OE1-NE2 3.88Å; E256-H260 PolarHBondContact OE1-NE2 2.84Å; A257-H260 PolarHBondContact O-N 3.43Å; H260-K262 VanDerWaalsContact C-N 3.3Å; H260-K262 PolarHBondContact O-N 3.19Å; H260-L263 WeakPolarHBondContact O-CB 3.44Å; H260-L263 PolarHBondContact O-N 3.34Å; H260-R264 PolarHBondContact O-N 3.11Å
261E85.4Confident80.2Confident90 Ų9080.7 Ų80.742%0.42140%0.398SS..Hα-helixtrans-66.8-34.2176.6-177.361.9-171.400111.3A257 F259 R264 H265A257-E261 PolarHBondContact O-N 3.47Å; A257-E261 VanDerWaalsContact O-N 3.15Å; F259-E261 PolarHBondContact O-N 3.31Å; E261-R264 WeakPolarHBondContact O-CB 3.32Å; E261-R264 PolarHBondContact O-N 3.05Å; E261-R264 IonicContact OE1-NH1 3.51Å; E261-R264 PolarHBondContact OE1-NH1 2.73Å; E261-R264 WeakPolarHBondContact OE2-CD 3.23Å; E261-R264 IonicContact OE2-CZ 3.56Å; E261-R264 IonicContact OE2-NE 2.99Å; E261-R264 IonicContact OE2-NH1 2.66Å; E261-R264 PolarHBondContact OE2-NH1 3.15Å; E261-H265 IonicContact OE1-NE2 2.65Å
262K87.1Confident82.1Confident25 Ų2582.5 Ų82.511%0.10940%0.399CS..Hα-helixtrans-65.2-41.7171.4174.4148.9-178-175.80111.9L193 N197 Y258 F259 H260 R264 H265L193-K262 HydrophobicContact CD1-CG 4.21Å; L193-K262 HydrophobicContact CD2-CD 4.35Å; L193-K262 HydrophobicContact CD2-CG 3.63Å; L193-K262 HydrophobicContact CG-CD 4.3Å; L193-K262 HydrophobicContact CG-CG 3.66Å; N197-K262 VanDerWaalsContact ND2-CG 3.33Å; N197-K262 WeakPolarHBondContact ND2-CG 3.48Å; Y258-K262 HydrophobicContact CE1-CD 4.23Å; Y258-K262 WeakPolarHBondContact O-CB 3.16Å; Y258-K262 PolarHBondContact O-N 2.85Å; F259-K262 CarbonylContact O-C 3.56Å; F259-K262 WeakPolarHBondContact O-CB 3.33Å; F259-K262 PolarHBondContact O-N 2.92Å; H260-K262 VanDerWaalsContact C-N 3.3Å; H260-K262 PolarHBondContact O-N 3.19Å; K262-R264 VanDerWaalsContact C-N 3.35Å; K262-R264 PolarHBondContact O-N 3.23Å; K262-H265 PolarHBondContact O-N 3.31Å
263L88.9Confident83.8Confident8 Ų881 Ų814%0.04239%0.388CS..Hα-helixtrans-62.5-37.5173.8-71.6177.4000112.8L174 L183 F189 L193 F259 H260 H265 M266L174-L263 HydrophobicContact CD2-CD1 3.77Å; L183-L263 HydrophobicContact CD2-CD1 4.28Å; L183-L263 HydrophobicContact CD2-CD2 3.77Å; F189-L263 HydrophobicContact CE1-CD2 3.75Å; F189-L263 HydrophobicContact CZ-CD2 3.48Å; F189-L263 VanDerWaalsContact CZ-CD2 3.48Å; L193-L263 HydrophobicContact CD2-CD2 3.94Å; F259-L263 HydrophobicContact CD1-CD1 3.68Å; F259-L263 HydrophobicContact CD1-CG 4.04Å; F259-L263 HydrophobicContact CE1-CD1 3.41Å; F259-L263 VanDerWaalsContact CE1-CD1 3.41Å; F259-L263 HydrophobicContact CE1-CD2 4.13Å; F259-L263 HydrophobicContact CE1-CG 3.86Å; F259-L263 HydrophobicContact CE2-CD2 4.29Å; F259-L263 HydrophobicContact CE2-CG 4.44Å; F259-L263 HydrophobicContact CG-CG 4.48Å; F259-L263 HydrophobicContact CZ-CD1 4.05Å; F259-L263 HydrophobicContact CZ-CD2 3.89Å; F259-L263 HydrophobicContact CZ-CG 4.08Å; F259-L263 WeakPolarHBondContact O-CG 3.33Å; F259-L263 PolarHBondContact O-N 3.48Å; H260-L263 WeakPolarHBondContact O-CB 3.44Å; H260-L263 PolarHBondContact O-N 3.34Å; L263-H265 PolarHBondContact O-N 3.23Å; L263-M266 HydrophobicContact CB-CE 3.84Å; L263-M266 HydrophobicContact CD2-CE 3.54Å; L263-M266 HydrophobicContact CG-CE 4.26Å; L263-M266 WeakPolarHBondContact O-CB 3.49Å; L263-M266 VanDerWaalsContact O-CE 3.27Å; L263-M266 WeakPolarHBondContact O-CE 3.38Å; L263-M266 VanDerWaalsContact O-CG 3.26Å; L263-M266 WeakPolarHBondContact O-CG 3.33Å; L263-M266 PolarHBondContact O-N 2.88Å
264R84.9Confident85.5Confident178 Ų17874.1 Ų74.167%0.67235%0.351SS*.THydrogen-bonded Turntrans-56.9-22.4-179.4-170.5-174.2175-163.6-1.4113.6H260 E261 K262H260-R264 PolarHBondContact O-N 3.11Å; E261-R264 WeakPolarHBondContact O-CB 3.32Å; E261-R264 PolarHBondContact O-N 3.05Å; E261-R264 IonicContact OE1-NH1 3.51Å; E261-R264 PolarHBondContact OE1-NH1 2.73Å; E261-R264 WeakPolarHBondContact OE2-CD 3.23Å; E261-R264 IonicContact OE2-CZ 3.56Å; E261-R264 IonicContact OE2-NE 2.99Å; E261-R264 IonicContact OE2-NH1 2.66Å; E261-R264 PolarHBondContact OE2-NH1 3.15Å; K262-R264 VanDerWaalsContact C-N 3.35Å; K262-R264 PolarHBondContact O-N 3.23Å
265H82.6Confident86.8Confident71 Ų7167.2 Ų67.233%0.32932%0.323SS..THydrogen-bonded Turntrans-116.618.5-179-64.6-32.5000113.8R204 E261 K262 L263 G267R204-H265 PolarHBondContact NH2-CD2 2.91Å; R204-H265 PolarHBondContact NH2-CE1 2.83Å; R204-H265 VanDerWaalsContact NH2-CE1 3.31Å; R204-H265 PolarHBondContact NH2-NE2 3.17Å; E261-H265 IonicContact OE1-NE2 2.65Å; K262-H265 PolarHBondContact O-N 3.31Å; L263-H265 PolarHBondContact O-N 3.23Å; H265-G267 PolarHBondContact O-N 2.82Å
266M88.8Confident87.7Confident25 Ų2565.8 Ų65.812%0.12332%0.315CS..  trans-56131.1177.2691727700112.7L193 L263 K271 F274L193-M266 HydrophobicContact CD1-CB 3.55Å; L263-M266 HydrophobicContact CB-CE 3.84Å; L263-M266 HydrophobicContact CD2-CE 3.54Å; L263-M266 HydrophobicContact CG-CE 4.26Å; L263-M266 WeakPolarHBondContact O-CB 3.49Å; L263-M266 VanDerWaalsContact O-CE 3.27Å; L263-M266 WeakPolarHBondContact O-CE 3.38Å; L263-M266 VanDerWaalsContact O-CG 3.26Å; L263-M266 WeakPolarHBondContact O-CG 3.33Å; L263-M266 PolarHBondContact O-N 2.88Å; M266-K271 HydrophobicContact CG-CG 3.67Å; M266-K271 HydrophobicContact SD-CB 4.46Å; M266-K271 HydrophobicContact SD-CG 3.56Å; M266-K271 VanDerWaalsContact SD-CG 3.56Å; M266-F274 HydrophobicContact CE-CD2 4.1Å; M266-F274 HydrophobicContact SD-CD2 4.43Å
267G90Very high88.4Confident23 Ų2364.6 Ų64.624%0.23731%0.31CS..  trans-80.6-175.1178.200000112.8D196 H265 A269 S270 K271D196-G267 VanDerWaalsContact OD2-C 3.24Å; D196-G267 WeakPolarHBondContact OD2-CA 3.31Å; D196-G267 PolarHBondContact OD2-N 2.91Å; D196-G267 VanDerWaalsContact OD2-N 3.13Å; H265-G267 PolarHBondContact O-N 2.82Å; G267-A269 VanDerWaalsContact C-N 3.32Å; G267-A269 PolarHBondContact O-N 2.94Å; G267-S270 PolarHBondContact O-N 3.11Å; G267-K271 WeakPolarHBondContact O-CB 3.23Å; G267-K271 WeakPolarHBondContact O-CG 3.32Å; G267-K271 PolarHBondContact O-N 3.36Å
268K90.5Very high88.9Confident194 Ų19461.6 Ų61.684%0.84329%0.286SS*.Hα-helixtrans-64-36.4-176.8-66.5176.2-178.11730112.4Q272K268-Q272 PolarHBondContact O-N 3.1Å; K268-Q272 VanDerWaalsContact O-N 3.09Å
269A89.6Confident89.2Confident55 Ų5557 Ų5746%0.45527%0.272SS..Hα-helixtrans-69.2-47.4179.800000110.8G267 Q272 R273G267-A269 VanDerWaalsContact C-N 3.32Å; G267-A269 PolarHBondContact O-N 2.94Å; A269-Q272 PolarHBondContact O-N 3.06Å; A269-R273 WeakPolarHBondContact O-CG 3.01Å; A269-R273 PolarHBondContact O-N 2.99Å; A269-R273 VanDerWaalsContact O-N 3.14Å
270S92.4Very high89.3Confident0 Ų063.2 Ų63.20%030%0.299CS..Hα-helixtrans-62.7-43.4174.1-179.90000112.2F189 L193 D196 G267 Q272 R273 F274F189-S270 WeakPolarHBondContact CE2-O 3.16Å; F189-S270 WeakPolarHBondContact CE2-OG 3.44Å; L193-S270 WeakPolarHBondContact CD1-OG 3.31Å; D196-S270 WeakPolarHBondContact OD2-CB 3.44Å; D196-S270 PolarHBondContact OD2-N 3.02Å; G267-S270 PolarHBondContact O-N 3.11Å; S270-Q272 VanDerWaalsContact C-N 3.3Å; S270-Q272 PolarHBondContact O-N 3.39Å; S270-R273 PolarHBondContact O-N 3.34Å; S270-R273 VanDerWaalsContact O-N 3.11Å; S270-F274 PolarHBondContact O-N 2.85Å
271K91.8Very high89.3Confident66 Ų6660.2 Ų60.229%0.28729%0.285SS..Hα-helixtrans-56.1-39.8172.8-80.3-164.1172-160.50112.8D167 F170 M266 G267 F274 V275D167-K271 IonicContact OD1-NZ 2.61Å; D167-K271 PolarHBondContact OD1-NZ 3.44Å; F170-K271 HydrophobicContact CE2-CD 4.03Å; F170-K271 HydrophobicContact CE2-CG 4.5Å; M266-K271 HydrophobicContact CG-CG 3.67Å; M266-K271 HydrophobicContact SD-CB 4.46Å; M266-K271 HydrophobicContact SD-CG 3.56Å; M266-K271 VanDerWaalsContact SD-CG 3.56Å; G267-K271 WeakPolarHBondContact O-CB 3.23Å; G267-K271 WeakPolarHBondContact O-CG 3.32Å; G267-K271 PolarHBondContact O-N 3.36Å; K271-F274 WeakPolarHBondContact O-CB 3.33Å; K271-F274 PolarHBondContact O-N 3.4Å; K271-V275 WeakPolarHBondContact O-CG2 3.31Å; K271-V275 PolarHBondContact O-N 3.3Å
272Q92.2Very high89Confident104 Ų10457.8 Ų57.849%0.48627%0.274SS..Hα-helixtrans-70.4-36.1177.5-17554.939.100112.5K268 A269 S270 V275 N276K268-Q272 PolarHBondContact O-N 3.1Å; K268-Q272 VanDerWaalsContact O-N 3.09Å; A269-Q272 PolarHBondContact O-N 3.06Å; S270-Q272 VanDerWaalsContact C-N 3.3Å; S270-Q272 PolarHBondContact O-N 3.39Å; Q272-V275 PolarHBondContact O-N 2.93Å; Q272-N276 PolarHBondContact NE2-OD1 3.33Å; Q272-N276 VanDerWaalsContact O-CG 3.26Å; Q272-N276 PolarHBondContact O-N 2.85Å; Q272-N276 VanDerWaalsContact O-N 3.08Å; Q272-N276 PolarHBondContact O-OD1 3.08Å
273R92.4Very high88.6Confident108 Ų10865.1 Ų65.141%0.40830%0.301SS..Hα-helixtrans-64.8-41.7173.2-66.6-68.6175.6158.92.4111.2D188 F189 A192 A269 S270 V275 N276 L277D188-R273 IonicContact OD2-CZ 3.9Å; D188-R273 IonicContact OD2-NH1 3.73Å; D188-R273 PolarHBondContact OD2-NH1 2.88Å; F189-R273 HydrophobicContact CB-CB 4.42Å; F189-R273 HydrophobicContact CD2-CB 3.85Å; A192-R273 HydrophobicContact CB-CG 4.25Å; A269-R273 WeakPolarHBondContact O-CG 3.01Å; A269-R273 PolarHBondContact O-N 2.99Å; A269-R273 VanDerWaalsContact O-N 3.14Å; S270-R273 PolarHBondContact O-N 3.34Å; S270-R273 VanDerWaalsContact O-N 3.11Å; R273-V275 PolarHBondContact O-N 2.84Å; R273-N276 PolarHBondContact O-N 3.5Å; R273-L277 WeakPolarHBondContact O-CG 3.46Å; R273-L277 PolarHBondContact O-N 3.29Å
274F93.1Very high88Confident0 Ų071.1 Ų71.10%033%0.327CS..Hα-helixtrans-54.6-50.4171.1-179.7-73.9000111.9F170 I173 L174 F179 L183 F189 M266 S270 K271 N276 L277 A278F170-F274 HydrophobicContact CB-CE1 4.24Å; F170-F274 HydrophobicContact CB-CZ 4.25Å; F170-F274 AromaticContact CD1-CD1 3.68Å; F170-F274 HydrophobicContact CD1-CD1 3.68Å; F170-F274 AromaticContact CD1-CE1 3.29Å; F170-F274 HydrophobicContact CD1-CE1 3.29Å; F170-F274 HydrophobicContact CD1-CZ 4.13Å; F170-F274 AromaticContact CE1-CD1 3.74Å; F170-F274 HydrophobicContact CE1-CD1 3.74Å; F170-F274 AromaticContact CE1-CE1 3.82Å; F170-F274 HydrophobicContact CE1-CE1 3.82Å; F170-F274 HydrophobicContact CG-CD1 4.41Å; F170-F274 AromaticContact CG-CE1 3.99Å; F170-F274 HydrophobicContact CG-CE1 3.99Å; F170-F274 HydrophobicContact CG-CZ 4.45Å; I173-F274 HydrophobicContact CB-CE1 4.42Å; I173-F274 HydrophobicContact CB-CZ 4.14Å; I173-F274 HydrophobicContact CD1-CE1 4.12Å; I173-F274 HydrophobicContact CG2-CE1 4.22Å; I173-F274 HydrophobicContact CG2-CZ 3.87Å; L174-F274 HydrophobicContact CD1-CE2 4.3Å; L174-F274 HydrophobicContact CD2-CE2 3.82Å; L174-F274 HydrophobicContact CD2-CZ 4.39Å; L174-F274 HydrophobicContact CG-CE2 3.89Å; L174-F274 HydrophobicContact CG-CZ 4.03Å; F179-F274 HydrophobicContact CE1-CD2 4.07Å; F179-F274 HydrophobicContact CE1-CE1 4.35Å; F179-F274 AromaticContact CE1-CE2 3.47Å; F179-F274 HydrophobicContact CE1-CE2 3.47Å; F179-F274 VanDerWaalsContact CE1-CE2 3.47Å; F179-F274 AromaticContact CE1-CZ 3.62Å; F179-F274 HydrophobicContact CE1-CZ 3.62Å; F179-F274 HydrophobicContact CZ-CD2 4.2Å; F179-F274 HydrophobicContact CZ-CE1 4.36Å; F179-F274 AromaticContact CZ-CE2 3.99Å; F179-F274 HydrophobicContact CZ-CE2 3.99Å; F179-F274 HydrophobicContact CZ-CZ 4.05Å; L183-F274 HydrophobicContact CD1-CD2 4.3Å; L183-F274 HydrophobicContact CD2-CD2 3.93Å; L183-F274 HydrophobicContact CD2-CE2 4.08Å; F189-F274 HydrophobicContact CE2-CB 4Å; M266-F274 HydrophobicContact CE-CD2 4.1Å; M266-F274 HydrophobicContact SD-CD2 4.43Å; S270-F274 PolarHBondContact O-N 2.85Å; K271-F274 WeakPolarHBondContact O-CB 3.33Å; K271-F274 PolarHBondContact O-N 3.4Å; F274-N276 VanDerWaalsContact C-N 3.34Å; F274-N276 PolarHBondContact O-N 3.07Å; F274-L277 PolarHBondContact O-N 3.46Å; F274-A278 HydrophobicContact CE1-CB 4.31Å; F274-A278 WeakPolarHBondContact O-CB 3.5Å; F274-A278 PolarHBondContact O-N 3.48Å
275V91.3Very high87Confident22 Ų2266.3 Ų66.313%0.13331%0.312CS..Hα-helixtrans-59.3-45.8179.4172.80000111.1F170 K271 Q272 R273 L277 A278 D279F170-V275 HydrophobicContact CE1-CG2 3.64Å; F170-V275 HydrophobicContact CZ-CG2 3.72Å; K271-V275 WeakPolarHBondContact O-CG2 3.31Å; K271-V275 PolarHBondContact O-N 3.3Å; Q272-V275 PolarHBondContact O-N 2.93Å; R273-V275 PolarHBondContact O-N 2.84Å; V275-L277 VanDerWaalsContact C-N 3.29Å; V275-L277 PolarHBondContact O-N 2.92Å; V275-A278 PolarHBondContact O-N 2.88Å; V275-D279 WeakPolarHBondContact O-CB 3.41Å; V275-D279 PolarHBondContact O-N 3.22Å
276N91.8Very high85.9Confident68 Ų6869.2 Ų69.236%0.36432%0.324SS..Hα-helixtrans-60.9-37.7178.1-68.4-10.2000112.2Q272 R273 F274 K280Q272-N276 PolarHBondContact NE2-OD1 3.33Å; Q272-N276 VanDerWaalsContact O-CG 3.26Å; Q272-N276 PolarHBondContact O-N 2.85Å; Q272-N276 VanDerWaalsContact O-N 3.08Å; Q272-N276 PolarHBondContact O-OD1 3.08Å; R273-N276 PolarHBondContact O-N 3.5Å; F274-N276 VanDerWaalsContact C-N 3.34Å; F274-N276 PolarHBondContact O-N 3.07Å; N276-K280 VanDerWaalsContact O-CG 3.29Å; N276-K280 WeakPolarHBondContact O-CG 3.49Å; N276-K280 PolarHBondContact O-N 3.21Å
277L92Very high84.1Confident16 Ų1670.6 Ų70.68%0.08434%0.344CS..Hα-helixtrans-72.3-43.5176.6-75.2167.3000112.1F179 L183 D186 F189 R273 F274 V275 D279 K280 F281F179-L277 HydrophobicContact CE2-CB 4Å; F179-L277 HydrophobicContact CZ-CB 4.3Å; L183-L277 HydrophobicContact CD1-CD1 3.57Å; D186-L277 HydrophobicContact CB-CD1 3.8Å; D186-L277 HydrophobicContact CB-CD2 4.22Å; F189-L277 HydrophobicContact CB-CD1 3.87Å; F189-L277 HydrophobicContact CD2-CD1 4.49Å; F189-L277 HydrophobicContact CG-CD1 4.25Å; R273-L277 WeakPolarHBondContact O-CG 3.46Å; R273-L277 PolarHBondContact O-N 3.29Å; F274-L277 PolarHBondContact O-N 3.46Å; V275-L277 VanDerWaalsContact C-N 3.29Å; V275-L277 PolarHBondContact O-N 2.92Å; L277-D279 VanDerWaalsContact C-N 3.33Å; L277-D279 PolarHBondContact O-N 2.98Å; L277-K280 WeakPolarHBondContact O-CB 3.3Å; L277-K280 PolarHBondContact O-N 2.99Å; L277-K280 VanDerWaalsContact O-N 3.14Å; L277-F281 WeakPolarHBondContact O-CB 3.43Å; L277-F281 PolarHBondContact O-N 3.48Å
278A90.4Very high82.3Confident1 Ų173.3 Ų73.31%0.00837%0.365CS..Hα-helixtrans-59-45.3176.800000111.5I173 F179 F274 V275 K280 F281 L282I173-A278 HydrophobicContact CD1-CB 3.72Å; I173-A278 HydrophobicContact CG2-CB 4.18Å; F179-A278 HydrophobicContact CE2-CB 4.12Å; F179-A278 HydrophobicContact CZ-CB 4.2Å; F274-A278 HydrophobicContact CE1-CB 4.31Å; F274-A278 WeakPolarHBondContact O-CB 3.5Å; F274-A278 PolarHBondContact O-N 3.48Å; V275-A278 PolarHBondContact O-N 2.88Å; A278-K280 VanDerWaalsContact C-N 3.31Å; A278-K280 PolarHBondContact O-N 3.02Å; A278-F281 PolarHBondContact O-N 2.89Å; A278-L282 WeakPolarHBondContact O-CD1 3.46Å; A278-L282 VanDerWaalsContact O-CG 3.28Å; A278-L282 WeakPolarHBondContact O-CG 3.29Å; A278-L282 PolarHBondContact O-N 3.36Å
279D87.2Confident80.3Confident62 Ų6269.1 Ų69.133%0.33237%0.366SS..Hα-helixtrans-61.4-36.9175.9-87.518.5000112.4V275 L277 R283V275-D279 WeakPolarHBondContact O-CB 3.41Å; V275-D279 PolarHBondContact O-N 3.22Å; L277-D279 VanDerWaalsContact C-N 3.33Å; L277-D279 PolarHBondContact O-N 2.98Å; D279-R283 WeakPolarHBondContact O-CD 3.45Å; D279-R283 WeakPolarHBondContact O-CG 3.42Å; D279-R283 PolarHBondContact O-N 3.01Å; D279-R283 PolarHBondContact O-NE 3.11Å; D279-R283 VanDerWaalsContact O-NE 3.1Å; D279-R283 IonicContact OD2-NH2 2.85Å
280K87.6Confident78.4Confident137 Ų13770 Ų7060%0.59638%0.38SS*.Hα-helixtrans-69.1-45.9174.1-73.4170.8-179.2-176.90111.5N276 L277 A278 L282 R283 K284N276-K280 VanDerWaalsContact O-CG 3.29Å; N276-K280 WeakPolarHBondContact O-CG 3.49Å; N276-K280 PolarHBondContact O-N 3.21Å; L277-K280 WeakPolarHBondContact O-CB 3.3Å; L277-K280 PolarHBondContact O-N 2.99Å; L277-K280 VanDerWaalsContact O-N 3.14Å; A278-K280 VanDerWaalsContact C-N 3.31Å; A278-K280 PolarHBondContact O-N 3.02Å; K280-L282 PolarHBondContact O-N 3.31Å; K280-R283 PolarHBondContact O-N 2.77Å; K280-K284 PolarHBondContact O-N 3.06Å
281F85.7Confident76.7Confident11 Ų1176.6 Ų76.65%0.04841%0.414CS..Hα-helixtrans-60.3-46.4-178.9-173.2-82.3000111.3N176 E178 F179 L277 A278 R283 K284 H285N176-F281 WeakPolarHBondContact ND2-CE1 3.44Å; N176-F281 WeakPolarHBondContact ND2-CZ 3.31Å; E178-F281 HydrophobicContact CB-CE2 3.98Å; E178-F281 HydrophobicContact CB-CZ 3.71Å; F179-F281 HydrophobicContact CB-CD1 4.41Å; F179-F281 HydrophobicContact CB-CD2 4.17Å; F179-F281 HydrophobicContact CB-CE1 4.44Å; F179-F281 HydrophobicContact CB-CE2 4.16Å; F179-F281 HydrophobicContact CB-CG 4.32Å; F179-F281 HydrophobicContact CB-CZ 4.32Å; F179-F281 HydrophobicContact CD2-CB 3.8Å; F179-F281 HydrophobicContact CD2-CD1 4.39Å; F179-F281 AromaticContact CD2-CD2 3.95Å; F179-F281 HydrophobicContact CD2-CD2 3.95Å; F179-F281 AromaticContact CD2-CG 3.77Å; F179-F281 HydrophobicContact CD2-CG 3.77Å; F179-F281 HydrophobicContact CE2-CB 4.3Å; L277-F281 WeakPolarHBondContact O-CB 3.43Å; L277-F281 PolarHBondContact O-N 3.48Å; A278-F281 PolarHBondContact O-N 2.89Å; F281-R283 VanDerWaalsContact C-N 3.31Å; F281-R283 PolarHBondContact O-N 3.16Å; F281-K284 WeakPolarHBondContact O-CB 3.28Å; F281-K284 PolarHBondContact O-N 3.24Å; F281-K284 VanDerWaalsContact O-N 3.1Å; F281-H285 AromaticContact CE1-CD2 3.56Å; F281-H285 AromaticContact CE1-NE2 3.73Å; F281-H285 AromaticContact CE2-NE2 3.79Å; F281-H285 AromaticContact CZ-CD2 3.65Å; F281-H285 AromaticContact CZ-NE2 3.3Å; F281-H285 VanDerWaalsContact CZ-NE2 3.3Å; F281-H285 WeakPolarHBondContact CZ-NE2 3.19Å; F281-H285 PolarHBondContact O-CD2 3.36Å; F281-H285 PolarHBondContact O-N 3.38Å
282L79.7Confident74.6Confident40 Ų4081.4 Ų81.421%0.20944%0.442CS..Hα-helixtrans-68.3-31.1180-64.7162.2000112.5M146 A278 K280 K286M146-L282 HydrophobicContact CE-CD1 3.38Å; M146-L282 HydrophobicContact SD-CD1 3.51Å; M146-L282 VanDerWaalsContact SD-CD1 3.51Å; M146-L282 HydrophobicContact SD-CD2 3.65Å; M146-L282 HydrophobicContact SD-CG 4.21Å; A278-L282 WeakPolarHBondContact O-CD1 3.46Å; A278-L282 VanDerWaalsContact O-CG 3.28Å; A278-L282 WeakPolarHBondContact O-CG 3.29Å; A278-L282 PolarHBondContact O-N 3.36Å; K280-L282 PolarHBondContact O-N 3.31Å; L282-K286 WeakPolarHBondContact O-CB 3.1Å; L282-K286 PolarHBondContact O-N 3.43Å
283R78.7Confident72.2Confident179 Ų17979.4 Ų79.468%0.67545%0.449SS*.Hα-helixtrans-68.8-33.1171.1-69.4164.6-155.3-95.81.7112.5D279 K280 F281D279-R283 WeakPolarHBondContact O-CD 3.45Å; D279-R283 WeakPolarHBondContact O-CG 3.42Å; D279-R283 PolarHBondContact O-N 3.01Å; D279-R283 PolarHBondContact O-NE 3.11Å; D279-R283 VanDerWaalsContact O-NE 3.1Å; D279-R283 IonicContact OD2-NH2 2.85Å; K280-R283 PolarHBondContact O-N 2.77Å; F281-R283 VanDerWaalsContact C-N 3.31Å; F281-R283 PolarHBondContact O-N 3.16Å
284K75.9Confident69.9Low134 Ų13481.3 Ų81.358%0.58347%0.473SS*.Hα-helixtrans-66.1-37.5176.3-176.8-176.1178.1-172.70112E182 K280 F281E182-K284 IonicContact OE2-NZ 2.86Å; E182-K284 PolarHBondContact OE2-NZ 3.32Å; K280-K284 PolarHBondContact O-N 3.06Å; F281-K284 WeakPolarHBondContact O-CB 3.28Å; F281-K284 PolarHBondContact O-N 3.24Å; F281-K284 VanDerWaalsContact O-N 3.1Å
285H64.2Low67.5Low77 Ų7787.1 Ų87.136%0.35651%0.514SS..Hα-helixtrans-91.2-20.2-179.2-72.1-101.9000114.5E178 F281 G287E178-H285 IonicContact OE2-CE1 3.42Å; E178-H285 PolarHBondContact OE2-CE1 3.14Å; F281-H285 AromaticContact CE1-CD2 3.56Å; F281-H285 AromaticContact CE1-NE2 3.73Å; F281-H285 AromaticContact CE2-NE2 3.79Å; F281-H285 AromaticContact CZ-CD2 3.65Å; F281-H285 AromaticContact CZ-NE2 3.3Å; F281-H285 VanDerWaalsContact CZ-NE2 3.3Å; F281-H285 WeakPolarHBondContact CZ-NE2 3.19Å; F281-H285 PolarHBondContact O-CD2 3.36Å; F281-H285 PolarHBondContact O-N 3.38Å; H285-G287 PolarHBondContact O-N 2.82Å
286K59.8Low65.2Low131 Ų13196.5 Ų96.557%0.5755%0.547SS*.SBendtrans-78.690.2169.8-156.6156.8-168.7151.80108.1L282L282-K286 WeakPolarHBondContact O-CB 3.1Å; L282-K286 PolarHBondContact O-N 3.43Å
287G50.4Low63.1Low54 Ų5499.9 Ų99.956%0.55757%0.571SS**  trans-50165.5-163.600000116.9H285 A289H285-G287 PolarHBondContact O-N 2.82Å; G287-A289 PolarHBondContact O-N 3.43Å
288A51.8Low60.5Low81 Ų81105.4 Ų105.467%0.66960%0.6SS**G310 helixtrans-53.99.4-162.600000119.6G290 I291A288-G290 PolarHBondContact O-N 2.89Å; A288-I291 HydrophobicContact CB-CD1 3.88Å; A288-I291 WeakPolarHBondContact O-CD1 3.41Å; A288-I291 WeakPolarHBondContact O-CG1 3.24Å
289A48.5Very low58.4Low105 Ų105117.6 Ų117.687%0.86865%0.646SS**G310 helixtrans-70.5-7.8173.900000114.6G287G287-A289 PolarHBondContact O-N 3.43Å
290G50.3Low56.1Low73 Ų73119.5 Ų119.575%0.75366%0.664SS**G310 helixtrans-88.31.3179.300000116.1A288 L292A288-G290 PolarHBondContact O-N 2.89Å; G290-L292 VanDerWaalsContact C-N 3.3Å; G290-L292 PolarHBondContact O-N 3.27Å
291I55.4Low53.9Low140 Ų140123.5 Ų123.572%0.71868%0.676SS**SBendtrans-74.3-16.9-167.3-64.9175.2000113.2A288A288-I291 HydrophobicContact CB-CD1 3.88Å; A288-I291 WeakPolarHBondContact O-CD1 3.41Å; A288-I291 WeakPolarHBondContact O-CG1 3.24Å
292L49Very low52Low166 Ų166127.9 Ų127.987%0.86971%0.713SS**SBendtrans-139.290-175.6-153.878.5000114G290G290-L292 VanDerWaalsContact C-N 3.3Å; G290-L292 PolarHBondContact O-N 3.27Å
293G40.8Very low50.6Low62 Ų62135.2 Ų135.264%0.63975%0.747SS**  trans74.1138.1149.400000120
294T44.7Very low48.9Very low148 Ų148133.3 Ų133.391%0.90875%0.749SS**  trans75.875157.170.70000119.4
295S41.5Very low47.5Very low123 Ų123134.5 Ų134.586%0.8676%0.761SS**  -151.2118.4129.8-164.20000112
296R44.3Very low46.6Very low218 Ų218136.2 Ų136.282%0.82378%0.779SS**  trans-44.9135.5176.6-64.3151.7162.8-174.9-7.6111.2
297T48Very low46.1Very low140 Ų140137.2 Ų137.286%0.85979%0.791SS**  -131.4132.561.651.60000114.8
298D37.3Very low46Very low132 Ų132142.4 Ų142.471%0.70681%0.806SS**  trans-67.1125.6-175.8-59.4-86.5000115.3
299R45.6Very low46Very low257 Ų257141 Ų14197%0.9780%0.798SS**  trans-130.133.1151.8-98.2-165.3179.1-167.52.1111.2
300S38.1Very low45.9Very low102 Ų102142.3 Ų142.371%0.71379%0.791SS**  trans-115.898.2-169.4-58.20000112.8
301R41.9Very low45.9Very low221 Ų221146.1 Ų146.183%0.83479%0.789SS**SBendtrans-172.6-9.2147.2-124.2-176.2116.592.5-1.2118.3
302A47.1Very low45.3Very low102 Ų102144.4 Ų144.484%0.84379%0.79SS**SBendtrans-97.5-5.9-159.200000117.8
303Q49.5Very low45.5Very low194 Ų194139.9 Ų139.991%0.90778%0.777SS**  trans-133.458.9177-68.8-175.1-4.200110.9
304L42.1Very low46.2Very low139 Ų139145.1 Ų145.173%0.72878%0.784SS**  trans-84.2100.6159.3-77.8166.5000107.8
305L47.7Very low46.6Very low160 Ų160144.2 Ų144.284%0.83877%0.774SS**  trans165.3126.3139.8-90.1162.4000109.1D307L305-D307 PolarHBondContact O-N 3.03Å
306P44.8Very low47.2Very low113 Ų113144.7 Ų144.773%0.73477%0.767SS**  trans-87.698.5167.533-26.7000108.7N308P306-N308 PolarHBondContact O-N 3.19Å
307D50Low47.8Very low152 Ų152141.8 Ų141.881%0.81376%0.763SS**  trans-93.382.6170.4-158.29.8000109.4L305 G309L305-D307 PolarHBondContact O-N 3.03Å; D307-G309 PolarHBondContact O-N 2.98Å
308N48.4Very low48.1Very low163 Ų163143 Ų14387%0.87276%0.759SS**  trans-88.787.6167.9-73.5-29.6000107.5P306P306-N308 PolarHBondContact O-N 3.19Å
309G51.6Low48.6Very low50 Ų50140.8 Ų140.852%0.51576%0.759SS.*  trans-144117.6179.500000111.7D307D307-G309 PolarHBondContact O-N 2.98Å
310N46.7Very low48.7Very low134 Ų134134.4 Ų134.472%0.71775%0.748SS**  trans54.7106.7153.5-71.219.4000118.2
311E49.6Very low49.1Very low152 Ų152134.3 Ų134.371%0.7175%0.748SS**  89.3134.270.791.8-162.414700113.1
312S43.4Very low49.4Very low104 Ų104132.7 Ų132.773%0.72775%0.75SS**  trans66.4108.4152.6-54.80000120.2
313A51.6Low49.2Very low72 Ų72130.7 Ų130.760%0.59574%0.739SS**  84.7135.9115.700000120.3
314E55.9Low49Very low171 Ų171132.6 Ų132.680%0.79974%0.74SS**  trans65.8138.7143.3-64.2152.7-143.800116.7
315D53Low49Very low129 Ų129133.1 Ų133.169%0.6974%0.743SS**  cis-162.7179.5-3.3-111.9-16.7000110.2
316D53.8Low48.9Very low133 Ų133133.5 Ų133.571%0.71174%0.741SS**  trans75.7110.6150.8-63.7-17.3000124.2
317E57.9Low48.8Very low158 Ų158134.5 Ų134.574%0.73875%0.745SS**  75.7115.9118.8-56.9-64.3-166.800125.2
318E54.7Low48.7Very low165 Ų165131.5 Ų131.577%0.77174%0.736SS**  53.8115.6122-155.8174.5-134.400123.2T320E318-T320 HydrophobicContact CG-CG2 4.37Å
319A47.9Very low48.7Very low86 Ų86130.5 Ų130.571%0.71173%0.731SS**  trans171.495.5132.500000109.5
320T47.1Very low48.5Very low122 Ų122135.3 Ų135.375%0.74874%0.744SS**  72.6151.282.562.50000116.4E318E318-T320 HydrophobicContact CG-CG2 4.37Å
321S47Very low48.5Very low100 Ų100135.3 Ų135.370%0.69974%0.744SS**  trans75.9101178.5-147.30000115.3
322E47.7Very low48.2Very low187 Ų187137 Ų13787%0.87475%0.745SS**  62.4135.186-62.9173.1-16000113.5
323G42.9Very low48.4Very low61 Ų61137.7 Ų137.763%0.62974%0.741SS**  cis170.2-177.34.200000109.7
324Y44.9Very low47.9Very low234 Ų234140.4 Ų140.492%0.91875%0.75SS**  trans78.9128.9175.5-60.7-80.7000119
325N43.1Very low47.6Very low149 Ų149140.7 Ų140.780%0.79774%0.744SS**  trans-106.1177.9-177.6-79.1-83.6000111.2
326Q44.9Very low47.1Very low169 Ų169145.5 Ų145.579%0.7975%0.752SS**  trans84.6122.6149.6-77.816231.700119.4
327T43.6Very low46.9Very low133 Ų133146.9 Ų146.982%0.81675%0.752SS**  trans63.4139.7145.456.60000117.4
328S47Very low46.6Very low89 Ų89145.1 Ų145.162%0.62275%0.752SS**  cis-153.8-169.712.438.40000110.5
329D48.1Very low46.3Very low143 Ų143144 Ų14477%0.76575%0.751SS**  trans85.3118.6152.8-52.1-46.9000120
330N48.4Very low46.3Very low150 Ų150148.6 Ų148.680%0.80276%0.755SS**  trans-58.1132.2152-45.5-77.2000108.2
331D45.6Very low46.2Very low134 Ų134152.8 Ų152.872%0.71776%0.757SS**  179.7156105.7-104.1-26.2000113.6
332Y44.4Very low46.4Very low187 Ų187159.1 Ų159.173%0.73377%0.765SS**  trans15.6116.3159.1-68.7-95.5000118.9
333N47.1Very low46.5Very low119 Ų119156.3 Ų156.364%0.63675%0.752SS**  trans-145.192.3135-110.2-79.7000111.8R335N333-R335 HydrophobicContact CB-CG 4.09Å; N333-R335 PolarHBondContact O-N 2.8Å; N333-R335 WeakPolarHBondContact OD1-CG 3.5Å; N333-R335 PolarHBondContact OD1-NE 3.26Å
334V41.2Very low47.3Very low129 Ų129159.9 Ų159.978%0.78276%0.762SS**  trans-65.878.2162.1178.50000108.4R336V334-R336 PolarHBondContact O-N 3.07Å
335R48.5Very low47.6Very low178 Ų178155.6 Ų155.667%0.67276%0.755SS**  trans-90.977.8179.4-83.2179.9176.6-154.8-0111.5N333 F337N333-R335 HydrophobicContact CB-CG 4.09Å; N333-R335 PolarHBondContact O-N 2.8Å; N333-R335 WeakPolarHBondContact OD1-CG 3.5Å; N333-R335 PolarHBondContact OD1-NE 3.26Å; R335-F337 VanDerWaalsContact C-N 3.26Å; R335-F337 HydrophobicContact CB-CD2 4.05Å; R335-F337 HydrophobicContact CB-CE2 4.21Å; R335-F337 HydrophobicContact CG-CE2 4.35Å; R335-F337 PolarHBondContact O-N 2.99Å
336R42.9Very low48.1Very low229 Ų229160.3 Ų160.386%0.86476%0.762SS**  trans-59.479.4163.8-172.1-166.6-139.6168.25.7110.6V334 V338V334-R336 PolarHBondContact O-N 3.07Å; R336-V338 PolarHBondContact O-N 3.03Å
337F51.2Low48.6Very low162 Ų162163.4 Ų163.471%0.71177%0.766SS**  trans-84.297.6173.1-94.8-80.3000111.4R335R335-F337 VanDerWaalsContact C-N 3.26Å; R335-F337 HydrophobicContact CB-CD2 4.05Å; R335-F337 HydrophobicContact CB-CE2 4.21Å; R335-F337 HydrophobicContact CG-CE2 4.35Å; R335-F337 PolarHBondContact O-N 2.99Å
338V50.3Low49.4Very low121 Ų121162.8 Ų162.873%0.73376%0.764SS**  trans-89.7104.7164.2174.50000108R336R336-V338 PolarHBondContact O-N 3.03Å
339L48Very low49.7Very low142 Ų142166 Ų16674%0.74377%0.774SS**  trans179.5140.5163.9-95.2142.3000106.1
340K48.7Very low49.8Very low183 Ų183165.4 Ų165.480%0.79678%0.775SS**  cis-149.1128.812.4-168.3158.3-172.3164.50109.9R342K340-R342 PolarHBondContact O-N 2.65Å
341R44.3Very low49.9Very low209 Ų209165 Ų16579%0.78977%0.772SS**  trans-61.1125.1170.8-170.9-173.1-161.1138.28.1108.8E343R341-E343 WeakPolarHBondContact CD-OE2 3.37Å; R341-E343 IonicContact NE-OE2 3.18Å; R341-E343 PolarHBondContact NE-OE2 3.29Å
342R51.6Low50.2Low233 Ų233167.2 Ų167.288%0.87978%0.778SS**  trans-119.4104167.9-137.6176.2-176.2170.2-0.1108.3K340 T344K340-R342 PolarHBondContact O-N 2.65Å; R342-T344 PolarHBondContact O-N 3.31Å
343E50.2Low50.8Low129 Ų129166 Ų16660%0.60378%0.782SS**  trans-64117.6-178.1-143.880.6-177.700109.8R341R341-E343 WeakPolarHBondContact CD-OE2 3.37Å; R341-E343 IonicContact NE-OE2 3.18Å; R341-E343 PolarHBondContact NE-OE2 3.29Å
344T60.2Low51Low135 Ų135163.6 Ų163.683%0.82879%0.786SS**  trans-12699.316344.70000109.5R342 R346R342-T344 PolarHBondContact O-N 3.31Å; T344-R346 PolarHBondContact O-N 2.71Å
345N50.1Low51.7Low145 Ų145167.3 Ų167.378%0.77579%0.792SS**  trans-58.5119.2171.8-93.4-83.4000110.7
346R54.6Low52.1Low248 Ų248166.6 Ų166.694%0.93680%0.796SS**  trans-161.3140.3142.1-104.1148.9-161.7-146.13.8111.6T344T344-R346 PolarHBondContact O-N 2.71Å
347R54.6Low52.9Low233 Ų233164 Ų16488%0.87979%0.791SS**  trans-67.6153.1-163-61.8168.4173.9-177.8-4.9113.2
348P60.7Low53.2Low120 Ų120163 Ų16378%0.77979%0.793SS**  trans-67.6131.6163.830.3-33.2000110.1V350P348-V350 PolarHBondContact O-N 2.83Å
349L52.3Low53.6Low158 Ų158165.5 Ų165.583%0.82780%0.801SS**  trans-80.3112.9171.1-75.2168.3000109.5
350V50.9Low54.2Low129 Ų129167.8 Ų167.878%0.78281%0.805SS**  trans-83.2107.4161.8177.80000107.1P348P348-V350 PolarHBondContact O-N 2.83Å
351L50.9Low54.4Low142 Ų142168.8 Ų168.874%0.74381%0.813SS**  trans-98.6121.3172.1-131.183.8000109.7I353L351-I353 HydrophobicContact CD2-CD1 4.41Å
352Q52.7Low54.7Low180 Ų180162 Ų16284%0.84181%0.808SS**  trans-12397.9-179.1178169.6-48.200110.2
353I56.8Low54.7Low161 Ų161162.4 Ų162.483%0.82681%0.81SS**  trans-152134.9175.2-46.3176.2000106.1L351L351-I353 HydrophobicContact CD2-CD1 4.41Å
354G49.8Very low55Low70 Ų70161.6 Ų161.672%0.72281%0.809SS**  cis-167.4172-3.200000110.1
355K55.8Low54.6Low207 Ų207164.1 Ų164.190%0.981%0.809SS**  trans-82.5-169.6-177.8-65.7-175174.7-177.20113.2
356Q57.9Low54.7Low162 Ų162160.1 Ų160.176%0.75780%0.802SS**  trans97.1135.2173.8-49.9-73.50.600112.3
357K59.2Low54.9Low176 Ų176155.4 Ų155.477%0.76580%0.795SS**  cis-156168.74.7-109.7160-167.5-175.40112.3
358D58.1Low54.9Low141 Ų141152.3 Ų152.375%0.75479%0.788SS**  trans-78.7153.1-172.8-46.1-101.5000117
359L59.1Low54.7Low172 Ų172157.4 Ų157.490%0.90179%0.792SS**  trans-172.790.5152.1-96.6136.7000107.1
360K59Low55.2Low190 Ų190155.4 Ų155.483%0.82679%0.791SS**  64.314182.3-85.3-171.2175.4179.50116.2
361E54.5Low55.9Low204 Ų204154.8 Ų154.895%0.95379%0.79SS**  trans76.8133.3179.9-52.6-176.4-17200115.8
362G50.3Low56.6Low68 Ų68157.9 Ų157.970%0.70180%0.797SS**  cis153.6129.2-1400000113.5
363R50.3Low57.4Low240 Ų240158.9 Ų158.991%0.90682%0.82SS**  trans64.6156.4165.8-67.6-175.5-164.3-147.42.2114.9
364L56.6Low57.4Low112 Ų112158.8 Ų158.859%0.58682%0.819SS**  cis-165.6156.40.3-119168.9000108.1
365F51.6Low57.8Low189 Ų189163.5 Ų163.583%0.82983%0.825SS**  trans60.3142.6169.8-52.2-67.1000117.4
366G53.9Low57.9Low61 Ų61161.1 Ų161.163%0.62982%0.82SS**  cis110.482.62.600000112.8
367N58.4Low57.9Low149 Ų149161 Ų16180%0.79782%0.824SS**  trans171.3163.4166.4-96-24000110.2
368F53.6Low57.8Low167 Ų167160.1 Ų160.173%0.73283%0.828SS**  cis-143.686.5-12.1-143.9-59000112.1
369R58.1Low57.8Low228 Ų228161.3 Ų161.386%0.8683%0.833SS**  trans18.7110.5143.6-172.1-170.4-161.8-135.76.6119.5
370S61.9Low57.7Low115 Ų115160.6 Ų160.680%0.80483%0.828SS**  trans-170.1120.5138.150.10000114.4
371P65.7Low57.6Low117 Ų117158.3 Ų158.376%0.7683%0.828SS**  trans-132.8152.4152.237.8-26.9000112.6
372K65.5Low57.9Low206 Ų206154.5 Ų154.590%0.89682%0.818SS**  trans168.5155.3157.7-103.4172.6-176-171.90111
373P68.8Low58.6Low202 Ų202162.4 Ų162.4100%1.31283%0.828SS**  cis-91.20-33.236.4-29.4000112.1

Retrieved 373 of 373 residues in 77.3 ms (Link to these results)