A0A087WVE3_HUMAN Loading...

NBPF member 14

AlphaFold DB , UniProt , Accession A0A087WVE3, Species HUMAN (Homo sapiens, Human), Gene NBPF14, Length 577 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
1M39.6Very low47.4Very low237 Ų237132.8 Ų132.8100%1.16778%0.779SS**  0129.20-76.5165.3161.100107.4
2V38.3Very low47.9Very low139 Ų139135.9 Ų135.984%0.84278%0.775SS**  trans-100.3125.5162.2175.90000105.4
3V41.1Very low48.4Very low134 Ų134129.8 Ų129.881%0.81275%0.752SS**  trans-94.6107.3173.7177.80000106.7A5V3-A5 PolarHBondContact O-N 3.44Å
4S45.1Very low48.8Very low107 Ų107127.9 Ų127.975%0.74873%0.733SS**  trans-69.9111.2172.9-57.90000109.2G6S4-G6 PolarHBondContact O-N 2.79Å
5A48.7Very low49.5Very low99 Ų99129.2 Ų129.282%0.81873%0.732SS**PPolyproline II helixtrans-68.7117.8158.700000107.6V3V3-A5 PolarHBondContact O-N 3.44Å
6G49.2Very low50.7Low60 Ų60126.4 Ų126.462%0.61971%0.714SS**PPolyproline II helixtrans-70.2156.5171.200000110.8S4 W8S4-G6 PolarHBondContact O-N 2.79Å; G6-W8 PolarHBondContact O-N 2.63Å
7P48.1Very low51.9Low133 Ų133124.8 Ų124.886%0.86470%0.703SS**PPolyproline II helixtrans-61.6135.7172.5-16.930.5000110.4
8W47.6Very low53.1Low257 Ų257124.8 Ų124.897%0.97370%0.7SS**PPolyproline II helixtrans-69.6132.7158.8-86.8-39.1000108.4G6G6-W8 PolarHBondContact O-N 2.63Å
9S54.7Low54.3Low74 Ų74124.8 Ų124.852%0.51769%0.694SS.*PPolyproline II helixtrans-69.8132.8176.346.80000110.8E11 K12S9-E11 VanDerWaalsContact C-N 3.32Å; S9-E11 PolarHBondContact O-N 3.48Å; S9-K12 PolarHBondContact O-N 3.5Å
10S57.3Low55.5Low74 Ų74122.3 Ų122.352%0.51768%0.678SS.*THydrogen-bonded Turntrans-66.8-36.2-177.167.90000112.1K12 A13 E14S10-K12 PolarHBondContact O-N 3.16Å; S10-A13 CarbonylContact O-C 3.58Å; S10-A13 WeakPolarHBondContact O-CA 3.32Å; S10-A13 WeakPolarHBondContact O-CB 3.24Å; S10-A13 PolarHBondContact O-N 3.1Å; S10-E14 VanDerWaalsContact C-OE1 3.24Å; S10-E14 WeakPolarHBondContact CB-OE1 3.09Å; S10-E14 WeakPolarHBondContact O-CG 3.41Å; S10-E14 PolarHBondContact O-N 3.45Å; S10-E14 PolarHBondContact OG-OE1 2.88Å
11E51.8Low56.6Low147 Ų147119.9 Ų119.969%0.68766%0.664SS**Hα-helixtrans-41.8-40.1171.2-167.1176.1-139.500113.9S9 M15S9-E11 VanDerWaalsContact C-N 3.32Å; S9-E11 PolarHBondContact O-N 3.48Å; E11-M15 PolarHBondContact O-N 3.46Å; E11-M15 VanDerWaalsContact O-N 3.14Å
12K52.9Low58.6Low170 Ų170115.7 Ų115.774%0.73964%0.642SS**Hα-helixtrans-79.5-19.1178-172.1164.4-176.1170.50114S9 S10S9-K12 PolarHBondContact O-N 3.5Å; S10-K12 PolarHBondContact O-N 3.16Å
13A55.1Low60.7Low57 Ų57112.7 Ų112.747%0.47162%0.624SS.*Hα-helixtrans-85.7-35.7169.500000111.6S10 N16 I17S10-A13 CarbonylContact O-C 3.58Å; S10-A13 WeakPolarHBondContact O-CA 3.32Å; S10-A13 WeakPolarHBondContact O-CB 3.24Å; S10-A13 PolarHBondContact O-N 3.1Å; A13-N16 WeakPolarHBondContact O-CB 3.43Å; A13-N16 PolarHBondContact O-N 3.2Å; A13-I17 WeakPolarHBondContact O-CG1 3.4Å; A13-I17 PolarHBondContact O-N 3.18Å
14E54.5Low62.6Low103 Ų103110.5 Ų110.548%0.48161%0.607SS.*Hα-helixtrans-64.9-45.9178.4-71152.4-147.700111.8S10 N16 I17 L18S10-E14 VanDerWaalsContact C-OE1 3.24Å; S10-E14 WeakPolarHBondContact CB-OE1 3.09Å; S10-E14 WeakPolarHBondContact O-CG 3.41Å; S10-E14 PolarHBondContact O-N 3.45Å; S10-E14 PolarHBondContact OG-OE1 2.88Å; E14-N16 PolarHBondContact O-N 2.84Å; E14-I17 WeakPolarHBondContact O-CB 3.34Å; E14-I17 PolarHBondContact O-N 3.17Å; E14-L18 PolarHBondContact O-N 3.35Å
15M58.1Low64.4Low147 Ų147114.4 Ų114.472%0.72461%0.605SS**Hα-helixtrans-56.6-35175-167.7176.3-17300112.8E11 E19E11-M15 PolarHBondContact O-N 3.46Å; E11-M15 VanDerWaalsContact O-N 3.14Å; M15-E19 PolarHBondContact O-N 2.83Å
16N68.7Low66.2Low84 Ų84113.6 Ų113.645%0.44959%0.592SS.*Hα-helixtrans-72.4-33.1177.1-169.2-1.4000112A13 E14 I20A13-N16 WeakPolarHBondContact O-CB 3.43Å; A13-N16 PolarHBondContact O-N 3.2Å; E14-N16 PolarHBondContact O-N 2.84Å; N16-I20 VanDerWaalsContact O-CB 3.28Å; N16-I20 WeakPolarHBondContact O-CB 3.49Å; N16-I20 WeakPolarHBondContact O-CG1 3.41Å; N16-I20 PolarHBondContact O-N 2.87Å; N16-I20 WeakPolarHBondContact OD1-CD1 3.47Å
17I71.2Confident67.9Low100 Ų100115.5 Ų115.551%0.51359%0.585SS.*Hα-helixtrans-67.5-36.3178.5-69.3164.8000111.5A13 E14 N21A13-I17 WeakPolarHBondContact O-CG1 3.4Å; A13-I17 PolarHBondContact O-N 3.18Å; E14-I17 WeakPolarHBondContact O-CB 3.34Å; E14-I17 PolarHBondContact O-N 3.17Å; I17-N21 WeakPolarHBondContact O-CB 3.45Å; I17-N21 PolarHBondContact O-N 2.97Å; I17-N21 PolarHBondContact O-ND2 3.11Å
18L74.8Confident69.8Low125 Ų125113.7 Ų113.765%0.65457%0.567SS**Hα-helixtrans-68.8-49.1175.6-74168.6000111.6E14 I20 N21 E22E14-L18 PolarHBondContact O-N 3.35Å; L18-I20 VanDerWaalsContact C-N 3.3Å; L18-I20 PolarHBondContact O-N 3.25Å; L18-N21 WeakPolarHBondContact O-CA 3.32Å; L18-N21 WeakPolarHBondContact O-CB 3.4Å; L18-N21 PolarHBondContact O-N 3.27Å; L18-E22 PolarHBondContact O-N 3.47Å
19E75.1Confident71.7Confident124 Ų124104 Ų10458%0.57954%0.542SS*.Hα-helixtrans-59.5-38.5176.9-170.3177.5-170.700112.2M15 T23M15-E19 PolarHBondContact O-N 2.83Å; E19-T23 WeakPolarHBondContact O-CG2 3.25Å; E19-T23 PolarHBondContact O-N 3.4Å; E19-T23 VanDerWaalsContact O-N 3.07Å; E19-T23 PolarHBondContact O-OG1 2.69Å
20I77.5Confident73.4Confident75 Ų75105.2 Ų105.239%0.38554%0.54SS..Hα-helixtrans-64.2-40.6171.1-74.9170.8000111.5N16 L18 T23 L24N16-I20 VanDerWaalsContact O-CB 3.28Å; N16-I20 WeakPolarHBondContact O-CB 3.49Å; N16-I20 WeakPolarHBondContact O-CG1 3.41Å; N16-I20 PolarHBondContact O-N 2.87Å; N16-I20 WeakPolarHBondContact OD1-CD1 3.47Å; L18-I20 VanDerWaalsContact C-N 3.3Å; L18-I20 PolarHBondContact O-N 3.25Å; I20-T23 WeakPolarHBondContact CA-OG1 3.42Å; I20-T23 PolarHBondContact O-N 3.03Å; I20-T23 PolarHBondContact O-OG1 2.95Å; I20-L24 HydrophobicContact CG2-CD1 3.52Å; I20-L24 HydrophobicContact CG2-CG 4.08Å; I20-L24 WeakPolarHBondContact O-CB 3.25Å; I20-L24 WeakPolarHBondContact O-CG 3.24Å; I20-L24 PolarHBondContact O-N 2.98Å
21N79Confident74.8Confident72 Ų72107.1 Ų107.139%0.38554%0.539SS..Hα-helixtrans-69.2-40.1178.8-86.7-69.3000112.6I17 L18 T23 R25I17-N21 WeakPolarHBondContact O-CB 3.45Å; I17-N21 PolarHBondContact O-N 2.97Å; I17-N21 PolarHBondContact O-ND2 3.11Å; L18-N21 WeakPolarHBondContact O-CA 3.32Å; L18-N21 WeakPolarHBondContact O-CB 3.4Å; L18-N21 PolarHBondContact O-N 3.27Å; N21-T23 VanDerWaalsContact C-N 3.34Å; N21-R25 WeakPolarHBondContact O-CB 3.38Å; N21-R25 VanDerWaalsContact O-CG 3.31Å; N21-R25 WeakPolarHBondContact O-CG 3.43Å; N21-R25 PolarHBondContact O-N 3.43Å
22E81.2Confident76.6Confident149 Ų149105.4 Ų105.470%0.69653%0.529SS*.Hα-helixtrans-62.5-39.9174.1-70.1-164.5133.700112.1L18 P26L18-E22 PolarHBondContact O-N 3.47Å; E22-P26 WeakPolarHBondContact O-CD 3.39Å; E22-P26 WeakPolarHBondContact O-CG 3.34Å
23T83.5Confident78.3Confident76 Ų76101.1 Ų101.147%0.46651%0.512SS..Hα-helixtrans-79.3-29.2179.253.20000113.7E19 I20 N21 Q27E19-T23 WeakPolarHBondContact O-CG2 3.25Å; E19-T23 PolarHBondContact O-N 3.4Å; E19-T23 VanDerWaalsContact O-N 3.07Å; E19-T23 PolarHBondContact O-OG1 2.69Å; I20-T23 WeakPolarHBondContact CA-OG1 3.42Å; I20-T23 PolarHBondContact O-N 3.03Å; I20-T23 PolarHBondContact O-OG1 2.95Å; N21-T23 VanDerWaalsContact C-N 3.34Å; T23-Q27 WeakPolarHBondContact O-CG 3.38Å; T23-Q27 PolarHBondContact O-NE2 3.38Å
24L81.1Confident79.7Confident88 Ų88102.2 Ų102.246%0.46151%0.507SS..Hα-helixtrans-80.7-32.3177.8-74179.3000113.9I20 Q27 L28I20-L24 HydrophobicContact CG2-CD1 3.52Å; I20-L24 HydrophobicContact CG2-CG 4.08Å; I20-L24 WeakPolarHBondContact O-CB 3.25Å; I20-L24 WeakPolarHBondContact O-CG 3.24Å; I20-L24 PolarHBondContact O-N 2.98Å; L24-Q27 PolarHBondContact O-N 2.87Å; L24-L28 WeakPolarHBondContact O-CB 3.43Å; L24-L28 PolarHBondContact O-N 2.93Å
25R82.7Confident81.2Confident188 Ų188104 Ų10471%0.70951%0.513SS*.Hα-helixtrans-58.2-48.4-179.4-81.4175.4178.9-159.41.5112.8N21 L28 A29N21-R25 WeakPolarHBondContact O-CB 3.38Å; N21-R25 VanDerWaalsContact O-CG 3.31Å; N21-R25 WeakPolarHBondContact O-CG 3.43Å; N21-R25 PolarHBondContact O-N 3.43Å; R25-L28 PolarHBondContact O-N 3.46Å; R25-A29 PolarHBondContact O-N 3.05Å; R25-A29 VanDerWaalsContact O-N 3.08Å
26P86.2Confident82.6Confident83 Ų83102.6 Ų102.654%0.53950%0.5SS..Hα-helixtrans-63.3-43.2174.5-23.434.5000113E22 L28 A29 E30E22-P26 WeakPolarHBondContact O-CD 3.39Å; E22-P26 WeakPolarHBondContact O-CG 3.34Å; P26-L28 VanDerWaalsContact C-N 3.32Å; P26-L28 PolarHBondContact O-N 2.91Å; P26-A29 WeakPolarHBondContact O-CB 3.46Å; P26-A29 PolarHBondContact O-N 2.9Å; P26-A29 VanDerWaalsContact O-N 3.14Å; P26-E30 PolarHBondContact O-N 2.85Å
27Q85.6Confident83.5Confident100 Ų100101.6 Ų101.647%0.46749%0.494SS..Hα-helixtrans-62.2-39.6177.7-70.9179.17100111.7T23 L24 A29 E30 K31T23-Q27 WeakPolarHBondContact O-CG 3.38Å; T23-Q27 PolarHBondContact O-NE2 3.38Å; L24-Q27 PolarHBondContact O-N 2.87Å; Q27-A29 VanDerWaalsContact C-N 3.35Å; Q27-E30 PolarHBondContact O-N 3.3Å; Q27-K31 WeakPolarHBondContact O-CB 3.36Å; Q27-K31 VanDerWaalsContact O-CG 3.23Å; Q27-K31 WeakPolarHBondContact O-CG 3.33Å; Q27-K31 PolarHBondContact O-N 3.2Å
28L87Confident84.3Confident94 Ų94102.4 Ų102.449%0.49250%0.499SS..Hα-helixtrans-65.5-37.9174.9-178.560.6000111.8L24 R25 P26 K32L24-L28 WeakPolarHBondContact O-CB 3.43Å; L24-L28 PolarHBondContact O-N 2.93Å; R25-L28 PolarHBondContact O-N 3.46Å; P26-L28 VanDerWaalsContact C-N 3.32Å; P26-L28 PolarHBondContact O-N 2.91Å; L28-K32 HydrophobicContact CD1-CD 4.41Å; L28-K32 HydrophobicContact CD1-CG 4.46Å; L28-K32 HydrophobicContact CG-CD 4.2Å; L28-K32 VanDerWaalsContact O-CB 3.3Å; L28-K32 WeakPolarHBondContact O-CB 3.24Å; L28-K32 WeakPolarHBondContact O-CG 3.4Å; L28-K32 PolarHBondContact O-N 2.82Å
29A87.5Confident84.9Confident55 Ų55102 Ų10246%0.45549%0.492SS..Hα-helixtrans-65.3-45173.700000111.8R25 P26 Q27 K32 Q33R25-A29 PolarHBondContact O-N 3.05Å; R25-A29 VanDerWaalsContact O-N 3.08Å; P26-A29 WeakPolarHBondContact O-CB 3.46Å; P26-A29 PolarHBondContact O-N 2.9Å; P26-A29 VanDerWaalsContact O-N 3.14Å; Q27-A29 VanDerWaalsContact C-N 3.35Å; A29-K32 PolarHBondContact O-N 2.85Å; A29-Q33 PolarHBondContact O-N 3.26Å
30E91.6Very high85.3Confident99 Ų99101.5 Ų101.546%0.46349%0.49SS..Hα-helixtrans-59.6-49.1175.2-166.1-149.5174.800111.1P26 Q27 K32 Q33 Q34P26-E30 PolarHBondContact O-N 2.85Å; Q27-E30 PolarHBondContact O-N 3.3Å; E30-K32 PolarHBondContact O-N 3.44Å; E30-Q33 CarbonylContact O-C 3.6Å; E30-Q33 PolarHBondContact O-N 3.33Å; E30-Q33 VanDerWaalsContact O-N 3.08Å; E30-Q34 WeakPolarHBondContact O-CG 3.43Å; E30-Q34 PolarHBondContact O-N 3.21Å; E30-Q34 PolarHBondContact OE1-NE2 3.06Å
31K86.4Confident85.7Confident114 Ų114104.5 Ų104.550%0.49650%0.5SS..Hα-helixtrans-65-36.8178.6-65.4-68.3157.9-1630112.3Q27 Q33 Q34 F35Q27-K31 WeakPolarHBondContact O-CB 3.36Å; Q27-K31 VanDerWaalsContact O-CG 3.23Å; Q27-K31 WeakPolarHBondContact O-CG 3.33Å; Q27-K31 PolarHBondContact O-N 3.2Å; K31-Q33 VanDerWaalsContact C-N 3.34Å; K31-Q33 PolarHBondContact O-N 3.16Å; K31-Q34 PolarHBondContact O-N 3.31Å; K31-F35 WeakPolarHBondContact O-CB 3.47Å; K31-F35 PolarHBondContact O-N 3.46Å
32K88.5Confident85.8Confident111 Ų111103.9 Ų103.948%0.48350%0.501SS..Hα-helixtrans-61.4-39.6170.5-77.6170178.3176.90111.7L28 A29 E30 R36L28-K32 HydrophobicContact CD1-CD 4.41Å; L28-K32 HydrophobicContact CD1-CG 4.46Å; L28-K32 HydrophobicContact CG-CD 4.2Å; L28-K32 VanDerWaalsContact O-CB 3.3Å; L28-K32 WeakPolarHBondContact O-CB 3.24Å; L28-K32 WeakPolarHBondContact O-CG 3.4Å; L28-K32 PolarHBondContact O-N 2.82Å; A29-K32 PolarHBondContact O-N 2.85Å; E30-K32 PolarHBondContact O-N 3.44Å; K32-R36 WeakPolarHBondContact O-CG 3.49Å; K32-R36 PolarHBondContact O-N 2.87Å; K32-R36 VanDerWaalsContact O-N 3.09Å
33Q89.3Confident85.8Confident80 Ų80102.6 Ų102.637%0.37449%0.493SS..Hα-helixtrans-71.6-41.7175-169.961.835.100112.5A29 E30 K31 F35 R36 N37A29-Q33 PolarHBondContact O-N 3.26Å; E30-Q33 CarbonylContact O-C 3.6Å; E30-Q33 PolarHBondContact O-N 3.33Å; E30-Q33 VanDerWaalsContact O-N 3.08Å; K31-Q33 VanDerWaalsContact C-N 3.34Å; K31-Q33 PolarHBondContact O-N 3.16Å; Q33-F35 VanDerWaalsContact C-N 3.27Å; Q33-F35 PolarHBondContact O-N 3.35Å; Q33-R36 PolarHBondContact O-N 3.35Å; Q33-R36 VanDerWaalsContact OE1-CZ 3.22Å; Q33-N37 PolarHBondContact NE2-OD1 3.48Å; Q33-N37 WeakPolarHBondContact O-CB 3.38Å; Q33-N37 PolarHBondContact O-N 3.39Å; Q33-N37 PolarHBondContact O-OD1 3.45Å
34Q84.5Confident85.9Confident80 Ų80104.5 Ų104.537%0.37450%0.5SS..Hα-helixtrans-59-40.3174.4-72.3178.7-0.200111.3E30 K31 N37 L38E30-Q34 WeakPolarHBondContact O-CG 3.43Å; E30-Q34 PolarHBondContact O-N 3.21Å; E30-Q34 PolarHBondContact OE1-NE2 3.06Å; K31-Q34 PolarHBondContact O-N 3.31Å; Q34-N37 PolarHBondContact O-N 3.41Å; Q34-L38 VanDerWaalsContact O-CB 3.29Å; Q34-L38 WeakPolarHBondContact O-CB 3.23Å; Q34-L38 PolarHBondContact O-N 2.92Å
35F86.3Confident85.9Confident139 Ų139105.1 Ų105.161%0.6151%0.507SS*.Hα-helixtrans-65.4-42.6174.7-174.9-100.9000112.7K31 Q33 L38 K39K31-F35 WeakPolarHBondContact O-CB 3.47Å; K31-F35 PolarHBondContact O-N 3.46Å; Q33-F35 VanDerWaalsContact C-N 3.27Å; Q33-F35 PolarHBondContact O-N 3.35Å; F35-L38 PolarHBondContact O-N 3Å; F35-K39 WeakPolarHBondContact O-CB 3.29Å; F35-K39 PolarHBondContact O-N 3.31Å
36R87.6Confident85.8Confident118 Ų118101.8 Ų101.845%0.44550%0.5SS..Hα-helixtrans-58.1-53.3172-75-174.2-72.4-101.97111.4K32 Q33 L38 K39 E40K32-R36 WeakPolarHBondContact O-CG 3.49Å; K32-R36 PolarHBondContact O-N 2.87Å; K32-R36 VanDerWaalsContact O-N 3.09Å; Q33-R36 PolarHBondContact O-N 3.35Å; Q33-R36 VanDerWaalsContact OE1-CZ 3.22Å; R36-L38 VanDerWaalsContact C-N 3.26Å; R36-L38 PolarHBondContact O-N 2.94Å; R36-K39 WeakPolarHBondContact O-CB 3.46Å; R36-K39 PolarHBondContact O-N 3.01Å; R36-K39 VanDerWaalsContact O-N 3.11Å; R36-E40 WeakPolarHBondContact O-CG 3.48Å; R36-E40 PolarHBondContact O-N 3.33Å
37N87Confident85.5Confident63 Ų63100.2 Ų100.234%0.33749%0.487SS..Hα-helixtrans-58.1-37.2178.9-65.40.4000112.2Q33 Q34 K41Q33-N37 PolarHBondContact NE2-OD1 3.48Å; Q33-N37 WeakPolarHBondContact O-CB 3.38Å; Q33-N37 PolarHBondContact O-N 3.39Å; Q33-N37 PolarHBondContact O-OD1 3.45Å; Q34-N37 PolarHBondContact O-N 3.41Å; N37-K41 WeakPolarHBondContact O-CB 3.49Å; N37-K41 VanDerWaalsContact O-CG 3.24Å; N37-K41 WeakPolarHBondContact O-CG 3.3Å; N37-K41 PolarHBondContact O-N 3.15Å
38L86.9Confident85.4Confident118 Ų11898.2 Ų98.262%0.61849%0.487SS*.Hα-helixtrans-73.7-38.2177.7-171.766.2000112Q34 F35 R36 K41 C42Q34-L38 VanDerWaalsContact O-CB 3.29Å; Q34-L38 WeakPolarHBondContact O-CB 3.23Å; Q34-L38 PolarHBondContact O-N 2.92Å; F35-L38 PolarHBondContact O-N 3Å; R36-L38 VanDerWaalsContact C-N 3.26Å; R36-L38 PolarHBondContact O-N 2.94Å; L38-K41 PolarHBondContact O-N 3.39Å; L38-C42 VanDerWaalsContact O-CB 3.28Å; L38-C42 WeakPolarHBondContact O-CB 3.47Å; L38-C42 PolarHBondContact O-N 3.15Å
39K87.6Confident85.1Confident117 Ų11795.3 Ų95.351%0.50948%0.48SS..Hα-helixtrans-62.5-45.5174.6-178171.9177.1176.60111F35 R36 C42 F43F35-K39 WeakPolarHBondContact O-CB 3.29Å; F35-K39 PolarHBondContact O-N 3.31Å; R36-K39 WeakPolarHBondContact O-CB 3.46Å; R36-K39 PolarHBondContact O-N 3.01Å; R36-K39 VanDerWaalsContact O-N 3.11Å; K39-C42 WeakPolarHBondContact O-CB 3.28Å; K39-C42 PolarHBondContact O-N 3.28Å; K39-F43 HydrophobicContact CD-CE2 4.29Å; K39-F43 HydrophobicContact CG-CD2 4.06Å; K39-F43 HydrophobicContact CG-CE2 3.66Å; K39-F43 VanDerWaalsContact O-CD2 3.23Å; K39-F43 WeakPolarHBondContact O-CD2 3.37Å; K39-F43 PolarHBondContact O-N 3.44Å
40E83.9Confident84.7Confident113 Ų11397.6 Ų97.653%0.52848%0.48SS..Hα-helixtrans-60.3-49.7173.4-71.7167.6-167.800112R36 C42 F43 L44R36-E40 WeakPolarHBondContact O-CG 3.48Å; R36-E40 PolarHBondContact O-N 3.33Å; E40-C42 VanDerWaalsContact C-N 3.29Å; E40-C42 PolarHBondContact O-N 2.7Å; E40-F43 PolarHBondContact O-N 2.8Å; E40-L44 WeakPolarHBondContact O-CG 3.45Å; E40-L44 PolarHBondContact O-N 3.39Å
41K85.4Confident83.9Confident137 Ų13793.9 Ų93.960%0.59646%0.463SS*.Hα-helixtrans-60.2-36.7175.8-75.8173.8-179.6-176.20112.9N37 L38 T45N37-K41 WeakPolarHBondContact O-CB 3.49Å; N37-K41 VanDerWaalsContact O-CG 3.24Å; N37-K41 WeakPolarHBondContact O-CG 3.3Å; N37-K41 PolarHBondContact O-N 3.15Å; L38-K41 PolarHBondContact O-N 3.39Å; K41-T45 WeakPolarHBondContact O-CB 3.49Å; K41-T45 PolarHBondContact O-N 3.25Å; K41-T45 PolarHBondContact O-OG1 2.87Å
42C81.5Confident83.4Confident60 Ų6090.5 Ų90.541%0.40546%0.456SS..Hα-helixtrans-64-48.6175-1690000111L38 K39 E40 L44 T45 Q46L38-C42 VanDerWaalsContact O-CB 3.28Å; L38-C42 WeakPolarHBondContact O-CB 3.47Å; L38-C42 PolarHBondContact O-N 3.15Å; K39-C42 WeakPolarHBondContact O-CB 3.28Å; K39-C42 PolarHBondContact O-N 3.28Å; E40-C42 VanDerWaalsContact C-N 3.29Å; E40-C42 PolarHBondContact O-N 2.7Å; C42-L44 PolarHBondContact O-N 3.28Å; C42-T45 PolarHBondContact O-N 3.08Å; C42-Q46 WeakPolarHBondContact O-CG 3.46Å; C42-Q46 PolarHBondContact O-N 2.9Å
43F82.5Confident82.6Confident121 Ų12190.1 Ų90.153%0.53146%0.46SS..Hα-helixtrans-60.9-44.1175.4-74.4-54.4000112.7K39 E40 T45 Q46 L47K39-F43 HydrophobicContact CD-CE2 4.29Å; K39-F43 HydrophobicContact CG-CD2 4.06Å; K39-F43 HydrophobicContact CG-CE2 3.66Å; K39-F43 VanDerWaalsContact O-CD2 3.23Å; K39-F43 WeakPolarHBondContact O-CD2 3.37Å; K39-F43 PolarHBondContact O-N 3.44Å; E40-F43 PolarHBondContact O-N 2.8Å; F43-T45 VanDerWaalsContact C-N 3.29Å; F43-T45 PolarHBondContact O-N 3.44Å; F43-Q46 PolarHBondContact O-N 3.49Å; F43-L47 VanDerWaalsContact O-CB 3.25Å; F43-L47 WeakPolarHBondContact O-CB 3.42Å; F43-L47 PolarHBondContact O-N 2.79Å
44L83.9Confident81.4Confident116 Ų11688.8 Ų88.861%0.60745%0.454SS*.Hα-helixtrans-61.2-37.4175.7-70.6169.3000112.1E40 C42 A48E40-L44 WeakPolarHBondContact O-CG 3.45Å; E40-L44 PolarHBondContact O-N 3.39Å; C42-L44 PolarHBondContact O-N 3.28Å; L44-A48 VanDerWaalsContact O-CB 3.32Å; L44-A48 WeakPolarHBondContact O-CB 3.42Å; L44-A48 PolarHBondContact O-N 3.23Å
45T82Confident80.3Confident101 Ų10190.2 Ų90.262%0.6246%0.46SS*.Hα-helixtrans-71-41.3177-54.80000111.7K41 C42 F43 A48 G49K41-T45 WeakPolarHBondContact O-CB 3.49Å; K41-T45 PolarHBondContact O-N 3.25Å; K41-T45 PolarHBondContact O-OG1 2.87Å; C42-T45 PolarHBondContact O-N 3.08Å; F43-T45 VanDerWaalsContact C-N 3.29Å; F43-T45 PolarHBondContact O-N 3.44Å; T45-A48 PolarHBondContact O-N 2.91Å; T45-G49 PolarHBondContact O-N 3.37Å
46Q79.9Confident79.4Confident119 Ų11992 Ų9256%0.55647%0.468SS*.Hα-helixtrans-64.8-41.6174.2-71.4177.44.800111.5C42 F43 G49 F50C42-Q46 WeakPolarHBondContact O-CG 3.46Å; C42-Q46 PolarHBondContact O-N 2.9Å; F43-Q46 PolarHBondContact O-N 3.49Å; Q46-G49 PolarHBondContact O-N 2.88Å; Q46-F50 WeakPolarHBondContact O-CB 3.4Å; Q46-F50 PolarHBondContact O-N 3.37Å
47L81.3Confident78.2Confident50 Ų5093.5 Ų93.526%0.26248%0.478SS..Hα-helixtrans-61.9-47.7175.1-175.168.8000111F43 G49 F50 L51 M70F43-L47 VanDerWaalsContact O-CB 3.25Å; F43-L47 WeakPolarHBondContact O-CB 3.42Å; F43-L47 PolarHBondContact O-N 2.79Å; L47-G49 VanDerWaalsContact C-N 3.34Å; L47-G49 PolarHBondContact O-N 3.26Å; L47-F50 PolarHBondContact O-N 2.94Å; L47-L51 HydrophobicContact CD1-CD1 4.32Å; L47-L51 HydrophobicContact CD1-CG 4.5Å; L47-L51 HydrophobicContact CG-CD1 3.9Å; L47-L51 HydrophobicContact CG-CG 4.46Å; L47-L51 WeakPolarHBondContact O-CB 3.43Å; L47-L51 VanDerWaalsContact O-CG 3.25Å; L47-L51 WeakPolarHBondContact O-CG 3.39Å; L47-L51 PolarHBondContact O-N 3.32Å; L47-M70 HydrophobicContact CD1-CE 3.93Å; L47-M70 HydrophobicContact CD1-SD 3.74Å; L47-M70 HydrophobicContact CD2-CE 4.47Å
48A82.6Confident76.7Confident57 Ų5796.6 Ų96.647%0.47149%0.485SS..Hα-helixtrans-60.1-41.9175.500000112.1L44 T45 L51 A52L44-A48 VanDerWaalsContact O-CB 3.32Å; L44-A48 WeakPolarHBondContact O-CB 3.42Å; L44-A48 PolarHBondContact O-N 3.23Å; T45-A48 PolarHBondContact O-N 2.91Å; A48-L51 PolarHBondContact O-N 3.2Å; A48-A52 VanDerWaalsContact O-CB 3.24Å; A48-A52 WeakPolarHBondContact O-CB 3.49Å; A48-A52 PolarHBondContact O-N 3.34Å
49G81.3Confident75.5Confident34 Ų3499.3 Ų99.335%0.35149%0.492SS..Hα-helixtrans-64.4-41.1174.600000113.4T45 Q46 L47 N53T45-G49 PolarHBondContact O-N 3.37Å; Q46-G49 PolarHBondContact O-N 2.88Å; L47-G49 VanDerWaalsContact C-N 3.34Å; L47-G49 PolarHBondContact O-N 3.26Å; G49-N53 WeakPolarHBondContact O-CB 3.47Å; G49-N53 VanDerWaalsContact O-CG 3.31Å; G49-N53 PolarHBondContact O-N 2.9Å; G49-N53 VanDerWaalsContact O-N 3.1Å; G49-N53 PolarHBondContact O-ND2 3.16Å
50F78.3Confident74.4Confident102 Ų102101.2 Ų101.245%0.44750%0.497SS..Hα-helixtrans-64.1-49174.6179.9-97.9000111.3Q46 L47 A52 N53 Q54 L66Q46-F50 WeakPolarHBondContact O-CB 3.4Å; Q46-F50 PolarHBondContact O-N 3.37Å; L47-F50 PolarHBondContact O-N 2.94Å; F50-A52 PolarHBondContact O-N 3Å; F50-N53 PolarHBondContact O-N 3.21Å; F50-N53 VanDerWaalsContact O-N 3.16Å; F50-Q54 HydrophobicContact CD1-CG 4.08Å; F50-Q54 HydrophobicContact CE1-CG 3.78Å; F50-Q54 HydrophobicContact CE2-CG 4.31Å; F50-Q54 HydrophobicContact CG-CG 4.48Å; F50-Q54 HydrophobicContact CZ-CG 3.92Å; F50-Q54 VanDerWaalsContact CZ-NE2 3.27Å; F50-Q54 WeakPolarHBondContact O-CG 3.48Å; F50-Q54 PolarHBondContact O-N 3.11Å; F50-L66 HydrophobicContact CE1-CD2 3.81Å
51L75.9Confident73.7Confident22 Ų22100.3 Ų100.312%0.11549%0.493CS..Hα-helixtrans-61.6-43.6178.2-70.1168.7000112L47 A48 N53 Q54 Q55 C63 I67L47-L51 HydrophobicContact CD1-CD1 4.32Å; L47-L51 HydrophobicContact CD1-CG 4.5Å; L47-L51 HydrophobicContact CG-CD1 3.9Å; L47-L51 HydrophobicContact CG-CG 4.46Å; L47-L51 WeakPolarHBondContact O-CB 3.43Å; L47-L51 VanDerWaalsContact O-CG 3.25Å; L47-L51 WeakPolarHBondContact O-CG 3.39Å; L47-L51 PolarHBondContact O-N 3.32Å; A48-L51 PolarHBondContact O-N 3.2Å; L51-N53 VanDerWaalsContact C-N 3.26Å; L51-N53 PolarHBondContact O-N 3.48Å; L51-Q54 PolarHBondContact O-N 2.84Å; L51-Q55 WeakPolarHBondContact O-CB 3.46Å; L51-Q55 WeakPolarHBondContact O-CG 3.23Å; L51-Q55 PolarHBondContact O-N 3.45Å; L51-C63 HydrophobicContact CD2-CB 4.1Å; L51-I67 HydrophobicContact CD1-CD1 3.82Å; L51-I67 HydrophobicContact CD1-CG1 3.86Å; L51-I67 HydrophobicContact CD2-CD1 3.94Å; L51-I67 HydrophobicContact CD2-CG1 3.92Å
52A75Confident72.9Confident42 Ų4299.7 Ų99.735%0.34749%0.492SS..Hα-helixtrans-64.5-29.5176.100000113A48 F50 K56A48-A52 VanDerWaalsContact O-CB 3.24Å; A48-A52 WeakPolarHBondContact O-CB 3.49Å; A48-A52 PolarHBondContact O-N 3.34Å; F50-A52 PolarHBondContact O-N 3Å; A52-K56 WeakPolarHBondContact O-CG 2.9Å
53N71.3Confident72.4Confident104 Ų10497.2 Ų97.256%0.55648%0.475SS*.Hα-helixtrans-79.1-33.5173.2-75.2-34.5000112.6G49 F50 L51 K56G49-N53 WeakPolarHBondContact O-CB 3.47Å; G49-N53 VanDerWaalsContact O-CG 3.31Å; G49-N53 PolarHBondContact O-N 2.9Å; G49-N53 VanDerWaalsContact O-N 3.1Å; G49-N53 PolarHBondContact O-ND2 3.16Å; F50-N53 PolarHBondContact O-N 3.21Å; F50-N53 VanDerWaalsContact O-N 3.16Å; L51-N53 VanDerWaalsContact C-N 3.26Å; L51-N53 PolarHBondContact O-N 3.48Å; N53-K56 PolarHBondContact O-N 3.49Å
54Q64.8Low72.3Confident52 Ų5296.3 Ų96.324%0.24347%0.471CS..Hα-helixtrans-74.7-37.5175.4-67-71.226.700112.5F50 L51 K56 K57 Y58 C63F50-Q54 HydrophobicContact CD1-CG 4.08Å; F50-Q54 HydrophobicContact CE1-CG 3.78Å; F50-Q54 HydrophobicContact CE2-CG 4.31Å; F50-Q54 HydrophobicContact CG-CG 4.48Å; F50-Q54 HydrophobicContact CZ-CG 3.92Å; F50-Q54 VanDerWaalsContact CZ-NE2 3.27Å; F50-Q54 WeakPolarHBondContact O-CG 3.48Å; F50-Q54 PolarHBondContact O-N 3.11Å; L51-Q54 PolarHBondContact O-N 2.84Å; Q54-K56 PolarHBondContact O-N 2.61Å; Q54-K57 WeakPolarHBondContact O-CA 3.43Å; Q54-K57 PolarHBondContact O-N 3.44Å; Q54-Y58 PolarHBondContact O-N 3.2Å; Q54-C63 VanDerWaalsContact CB-SG 3.56Å
55Q62Low72.2Confident110 Ų11094.9 Ų94.951%0.51446%0.464SS..Hα-helixtrans-58.5-26.9171.5-77.2178.5-10.200113L51 K57L51-Q55 WeakPolarHBondContact O-CB 3.46Å; L51-Q55 WeakPolarHBondContact O-CG 3.23Å; L51-Q55 PolarHBondContact O-N 3.45Å; Q55-K57 VanDerWaalsContact C-N 3.32Å
56K66Low72.4Confident177 Ų17793 Ų9377%0.7745%0.45SS*.THydrogen-bonded Turntrans-82.4-3.6173.5-71.5174.9-178.5175.80113.9A52 N53 Q54A52-K56 WeakPolarHBondContact O-CG 2.9Å; N53-K56 PolarHBondContact O-N 3.49Å; Q54-K56 PolarHBondContact O-N 2.61Å
57K62.8Low72.7Confident149 Ų14990.5 Ų90.565%0.64844%0.44SS*.THydrogen-bonded Turntrans-130.9-33.9-166.1-161.6-177.8179.9-173.60114.6Q54 Q55Q54-K57 WeakPolarHBondContact O-CA 3.43Å; Q54-K57 PolarHBondContact O-N 3.44Å; Q55-K57 VanDerWaalsContact C-N 3.32Å
58Y55.6Low73Confident128 Ų12894.9 Ų94.950%0.50246%0.457SS..SBendtrans-135167.4-178.1-75.4-84.3000111.8Q54Q54-Y58 PolarHBondContact O-N 3.2Å
59K62.5Low73.2Confident174 Ų17498.1 Ų98.176%0.75746%0.461SS*.  trans-66.2141.3-179.4-74.5-179.3176.5177.80110.7E61 E62K59-E61 PolarHBondContact O-N 3.26Å; K59-E62 PolarHBondContact O-N 2.89Å
60Y63Low73.4Confident157 Ų157100.4 Ų100.462%0.61646%0.463SS*.Hα-helixtrans-44.4-35.5-178-175.6-101.7000115.1E62 C63 K64Y60-E62 PolarHBondContact O-N 3.46Å; Y60-C63 WeakPolarHBondContact O-CB 3.45Å; Y60-C63 PolarHBondContact O-N 3.26Å; Y60-K64 HydrophobicContact CE1-CD 4.41Å; Y60-K64 PolarHBondContact O-N 3.14Å; Y60-K64 VanDerWaalsContact O-N 3.11Å
61E69.4Low73.9Confident94 Ų94100.6 Ų100.644%0.43947%0.468SS..Hα-helixtrans-65.9-37.3-173.4-136.363.5-173.900113.9K59 C63 K64 D65K59-E61 PolarHBondContact O-N 3.26Å; E61-C63 VanDerWaalsContact C-N 3.3Å; E61-C63 PolarHBondContact O-N 2.95Å; E61-K64 WeakPolarHBondContact O-CB 3.19Å; E61-K64 PolarHBondContact O-N 2.96Å; E61-K64 WeakPolarHBondContact OE1-CD 3.38Å; E61-K64 IonicContact OE1-NZ 2.63Å; E61-K64 PolarHBondContact OE1-NZ 3.14Å; E61-K64 IonicContact OE2-NZ 3.8Å; E61-D65 PolarHBondContact O-N 3.42Å
62E69.9Low74.6Confident124 Ų124107.7 Ų107.758%0.57949%0.493SS*.Hα-helixtrans-65.8-34.4177.3-70.1169.6-156.900111.7K59 Y60 L66K59-E62 PolarHBondContact O-N 2.89Å; Y60-E62 PolarHBondContact O-N 3.46Å; E62-L66 WeakPolarHBondContact O-CB 3.33Å; E62-L66 PolarHBondContact O-N 2.86Å; E62-L66 VanDerWaalsContact O-N 3.15Å
63C69.8Low75Confident8 Ų8108.4 Ų108.45%0.05449%0.491CS..Hα-helixtrans-69.5-39.1174-64.70000111.6L51 Q54 Y60 E61 L66 I67L51-C63 HydrophobicContact CD2-CB 4.1Å; Q54-C63 VanDerWaalsContact CB-SG 3.56Å; Y60-C63 WeakPolarHBondContact O-CB 3.45Å; Y60-C63 PolarHBondContact O-N 3.26Å; E61-C63 VanDerWaalsContact C-N 3.3Å; E61-C63 PolarHBondContact O-N 2.95Å; C63-L66 PolarHBondContact O-N 3.16Å; C63-I67 WeakPolarHBondContact O-CD1 3.26Å; C63-I67 VanDerWaalsContact O-CG1 3.24Å; C63-I67 WeakPolarHBondContact O-CG1 3.5Å; C63-I67 PolarHBondContact O-N 3.41Å
64K80.3Confident75.7Confident103 Ų103108 Ų10845%0.44849%0.486SS..Hα-helixtrans-64.7-44179175.4-172.3174.2-1730111.8Y60 E61 I67 K68Y60-K64 HydrophobicContact CE1-CD 4.41Å; Y60-K64 PolarHBondContact O-N 3.14Å; Y60-K64 VanDerWaalsContact O-N 3.11Å; E61-K64 WeakPolarHBondContact O-CB 3.19Å; E61-K64 PolarHBondContact O-N 2.96Å; E61-K64 WeakPolarHBondContact OE1-CD 3.38Å; E61-K64 IonicContact OE1-NZ 2.63Å; E61-K64 PolarHBondContact OE1-NZ 3.14Å; E61-K64 IonicContact OE2-NZ 3.8Å; K64-I67 PolarHBondContact O-N 3.41Å; K64-K68 VanDerWaalsContact O-CB 3.32Å; K64-K68 WeakPolarHBondContact O-CB 3.3Å; K64-K68 PolarHBondContact O-N 3.31Å
65D82.9Confident76.8Confident85 Ų85114.2 Ų114.246%0.45551%0.507SS..Hα-helixtrans-71.1-34.3176.3-78.9-37.9000112.7E61 K68 F69E61-D65 PolarHBondContact O-N 3.42Å; D65-K68 PolarHBondContact O-N 3.08Å; D65-K68 IonicContact OD1-NZ 3.72Å; D65-F69 WeakPolarHBondContact O-CB 3.46Å; D65-F69 PolarHBondContact O-N 3.34Å
66L85.4Confident78Confident63 Ų63113.7 Ų113.733%0.3351%0.505SS..Hα-helixtrans-61.8-46.3171.3178.761.5000112.1F50 E62 C63 K68 F69 M70F50-L66 HydrophobicContact CE1-CD2 3.81Å; E62-L66 WeakPolarHBondContact O-CB 3.33Å; E62-L66 PolarHBondContact O-N 2.86Å; E62-L66 VanDerWaalsContact O-N 3.15Å; C63-L66 PolarHBondContact O-N 3.16Å; L66-K68 VanDerWaalsContact C-N 3.33Å; L66-K68 PolarHBondContact O-N 2.86Å; L66-F69 PolarHBondContact O-N 2.84Å; L66-M70 HydrophobicContact CD1-CG 4.29Å; L66-M70 HydrophobicContact CD1-SD 4.29Å; L66-M70 HydrophobicContact CG-SD 4.35Å; L66-M70 WeakPolarHBondContact O-CG 3.28Å; L66-M70 PolarHBondContact O-N 2.84Å
67I86Confident78.9Confident66 Ų66111.9 Ų111.934%0.33850%0.498SS..Hα-helixtrans-59.4-45.7175.6-68.9161.5000110.4L51 C63 K64 F69 M70 L71L51-I67 HydrophobicContact CD1-CD1 3.82Å; L51-I67 HydrophobicContact CD1-CG1 3.86Å; L51-I67 HydrophobicContact CD2-CD1 3.94Å; L51-I67 HydrophobicContact CD2-CG1 3.92Å; C63-I67 WeakPolarHBondContact O-CD1 3.26Å; C63-I67 VanDerWaalsContact O-CG1 3.24Å; C63-I67 WeakPolarHBondContact O-CG1 3.5Å; C63-I67 PolarHBondContact O-N 3.41Å; K64-I67 PolarHBondContact O-N 3.41Å; I67-F69 VanDerWaalsContact C-N 3.35Å; I67-F69 PolarHBondContact O-N 3.38Å; I67-M70 PolarHBondContact O-N 2.86Å; I67-L71 HydrophobicContact CG2-CD1 3.76Å; I67-L71 HydrophobicContact CG2-CG 4.34Å; I67-L71 WeakPolarHBondContact O-CB 3.14Å; I67-L71 WeakPolarHBondContact O-CG 3.19Å; I67-L71 PolarHBondContact O-N 3.49Å
68K88.4Confident80.2Confident142 Ų142110.2 Ų110.262%0.61749%0.49SS*.Hα-helixtrans-62.8-37.8178.8-178.1-177.6172.9-168.80112.7K64 D65 L66 R72K64-K68 VanDerWaalsContact O-CB 3.32Å; K64-K68 WeakPolarHBondContact O-CB 3.3Å; K64-K68 PolarHBondContact O-N 3.31Å; D65-K68 PolarHBondContact O-N 3.08Å; D65-K68 IonicContact OD1-NZ 3.72Å; L66-K68 VanDerWaalsContact C-N 3.33Å; L66-K68 PolarHBondContact O-N 2.86Å; K68-R72 WeakPolarHBondContact O-CB 3.45Å; K68-R72 PolarHBondContact O-N 2.96Å; K68-R72 VanDerWaalsContact O-N 3.15Å
69F85.9Confident81.9Confident125 Ų125110 Ų11055%0.54849%0.494SS..Hα-helixtrans-66.4-49.8173.4177.8-113.2000111.4D65 L66 I67 L71 R72 N73D65-F69 WeakPolarHBondContact O-CB 3.46Å; D65-F69 PolarHBondContact O-N 3.34Å; L66-F69 PolarHBondContact O-N 2.84Å; I67-F69 VanDerWaalsContact C-N 3.35Å; I67-F69 PolarHBondContact O-N 3.38Å; F69-L71 PolarHBondContact O-N 3.09Å; F69-R72 WeakPolarHBondContact O-CB 3.34Å; F69-R72 PolarHBondContact O-N 3.3Å; F69-R72 VanDerWaalsContact O-N 3.14Å; F69-N73 WeakPolarHBondContact CE1-ND2 3.46Å; F69-N73 WeakPolarHBondContact CZ-ND2 3.5Å; F69-N73 PolarHBondContact O-N 3.05Å; F69-N73 PolarHBondContact O-OD1 3.22Å
70M87Confident83.4Confident82 Ų82108.3 Ų108.340%0.40449%0.488SS..Hα-helixtrans-60.7-43.3178.9-69.6-175.67000112.5L47 L66 I67 R72 N73 E74L47-M70 HydrophobicContact CD1-CE 3.93Å; L47-M70 HydrophobicContact CD1-SD 3.74Å; L47-M70 HydrophobicContact CD2-CE 4.47Å; L66-M70 HydrophobicContact CD1-CG 4.29Å; L66-M70 HydrophobicContact CD1-SD 4.29Å; L66-M70 HydrophobicContact CG-SD 4.35Å; L66-M70 WeakPolarHBondContact O-CG 3.28Å; L66-M70 PolarHBondContact O-N 2.84Å; I67-M70 PolarHBondContact O-N 2.86Å; M70-R72 VanDerWaalsContact C-N 3.31Å; M70-R72 PolarHBondContact O-N 3.14Å; M70-N73 PolarHBondContact O-N 2.94Å; M70-E74 WeakPolarHBondContact O-CB 3.28Å; M70-E74 PolarHBondContact O-N 3.1Å
71L88.8Confident84.9Confident105 Ų105106.7 Ų106.755%0.5549%0.485SS..Hα-helixtrans-65.4-30.9176-72.1172.1000113.3I67 F69 R75I67-L71 HydrophobicContact CG2-CD1 3.76Å; I67-L71 HydrophobicContact CG2-CG 4.34Å; I67-L71 WeakPolarHBondContact O-CB 3.14Å; I67-L71 WeakPolarHBondContact O-CG 3.19Å; I67-L71 PolarHBondContact O-N 3.49Å; F69-L71 PolarHBondContact O-N 3.09Å; L71-R75 PolarHBondContact O-N 3.06Å
72R89.9Confident86.1Confident171 Ų171107.1 Ų107.165%0.64549%0.49SS*.Hα-helixtrans-68.6-48.4171.7171.5174.6-77.3-153.8-5.3110.5K68 F69 M70 E74 R75 Q76K68-R72 WeakPolarHBondContact O-CB 3.45Å; K68-R72 PolarHBondContact O-N 2.96Å; K68-R72 VanDerWaalsContact O-N 3.15Å; F69-R72 WeakPolarHBondContact O-CB 3.34Å; F69-R72 PolarHBondContact O-N 3.3Å; F69-R72 VanDerWaalsContact O-N 3.14Å; M70-R72 VanDerWaalsContact C-N 3.31Å; M70-R72 PolarHBondContact O-N 3.14Å; R72-E74 PolarHBondContact O-N 3.2Å; R72-R75 WeakPolarHBondContact O-CB 3.48Å; R72-R75 PolarHBondContact O-N 3.39Å; R72-Q76 HydrophobicContact CG-CG 4.47Å; R72-Q76 WeakPolarHBondContact O-CG 3.35Å; R72-Q76 PolarHBondContact O-N 3.41Å
73N83.2Confident87.2Confident57 Ų57103.9 Ų103.931%0.30548%0.484SS..Hα-helixtrans-65.5-39-177.7-59.3-2.8000111.6F69 M70 R75 Q76 F77F69-N73 WeakPolarHBondContact CE1-ND2 3.46Å; F69-N73 WeakPolarHBondContact CZ-ND2 3.5Å; F69-N73 PolarHBondContact O-N 3.05Å; F69-N73 PolarHBondContact O-OD1 3.22Å; M70-N73 PolarHBondContact O-N 2.94Å; N73-R75 VanDerWaalsContact C-N 3.3Å; N73-R75 PolarHBondContact O-N 3.08Å; N73-Q76 PolarHBondContact O-N 3.42Å; N73-F77 WeakPolarHBondContact O-CB 3.35Å; N73-F77 PolarHBondContact O-N 2.9Å
74E86.8Confident88.5Confident97 Ų97107.3 Ų107.345%0.45350%0.499SS..Hα-helixtrans-63.6-36.1175.7-164.1-162.3134.100112M70 R72 K78M70-E74 WeakPolarHBondContact O-CB 3.28Å; M70-E74 PolarHBondContact O-N 3.1Å; R72-E74 PolarHBondContact O-N 3.2Å; E74-K78 WeakPolarHBondContact O-CD 3.28Å; E74-K78 VanDerWaalsContact O-CG 3.3Å; E74-K78 WeakPolarHBondContact O-CG 3.21Å; E74-K78 PolarHBondContact O-N 2.88Å; E74-K78 WeakPolarHBondContact OE1-CE 3.2Å; E74-K78 IonicContact OE1-NZ 3.16Å; E74-K78 PolarHBondContact OE1-NZ 2.82Å
75R86.6Confident89.2Confident181 Ų181107.2 Ų107.268%0.68350%0.5SS*.Hα-helixtrans-65.1-49.9171.1-176.2-173-61.1-162.8-2.9111.1L71 R72 N73 F77 K78 E79L71-R75 PolarHBondContact O-N 3.06Å; R72-R75 WeakPolarHBondContact O-CB 3.48Å; R72-R75 PolarHBondContact O-N 3.39Å; N73-R75 VanDerWaalsContact C-N 3.3Å; N73-R75 PolarHBondContact O-N 3.08Å; R75-F77 VanDerWaalsContact C-N 3.34Å; R75-F77 PolarHBondContact O-N 3.24Å; R75-K78 WeakPolarHBondContact O-CB 3.45Å; R75-K78 PolarHBondContact O-N 3.22Å; R75-K78 VanDerWaalsContact O-N 3.08Å; R75-E79 WeakPolarHBondContact O-CB 3.39Å; R75-E79 PolarHBondContact O-N 3.03Å
76Q87.8Confident89.9Confident100 Ų100109.1 Ų109.147%0.46751%0.51SS..Hα-helixtrans-60.9-41.9-178-71178.5-71.400112R72 N73 K78 E79 E80R72-Q76 HydrophobicContact CG-CG 4.47Å; R72-Q76 WeakPolarHBondContact O-CG 3.35Å; R72-Q76 PolarHBondContact O-N 3.41Å; N73-Q76 PolarHBondContact O-N 3.42Å; Q76-K78 VanDerWaalsContact C-N 3.31Å; Q76-K78 PolarHBondContact O-N 2.9Å; Q76-E79 WeakPolarHBondContact O-CB 3.15Å; Q76-E79 PolarHBondContact O-N 2.89Å; Q76-E80 VanDerWaalsContact O-CB 3.28Å; Q76-E80 WeakPolarHBondContact O-CB 3.49Å; Q76-E80 PolarHBondContact O-N 3.47Å
77F85.9Confident90.4Very high139 Ų139110.7 Ų110.761%0.6151%0.514SS*.Hα-helixtrans-62.1-36.1174.2176.6-104.9000113N73 R75 K81N73-F77 WeakPolarHBondContact O-CB 3.35Å; N73-F77 PolarHBondContact O-N 2.9Å; R75-F77 VanDerWaalsContact C-N 3.34Å; R75-F77 PolarHBondContact O-N 3.24Å; F77-K81 VanDerWaalsContact O-CB 3.26Å; F77-K81 WeakPolarHBondContact O-CB 3.47Å; F77-K81 PolarHBondContact O-N 3.4Å; F77-K81 VanDerWaalsContact O-N 3.1Å
78K90Very high90.9Very high113 Ų113112 Ų11249%0.49152%0.518SS..Hα-helixtrans-70.8-38.2174.4-74168.6174.4174.60111.9E74 R75 Q76 L82E74-K78 WeakPolarHBondContact O-CD 3.28Å; E74-K78 VanDerWaalsContact O-CG 3.3Å; E74-K78 WeakPolarHBondContact O-CG 3.21Å; E74-K78 PolarHBondContact O-N 2.88Å; E74-K78 WeakPolarHBondContact OE1-CE 3.2Å; E74-K78 IonicContact OE1-NZ 3.16Å; E74-K78 PolarHBondContact OE1-NZ 2.82Å; R75-K78 WeakPolarHBondContact O-CB 3.45Å; R75-K78 PolarHBondContact O-N 3.22Å; R75-K78 VanDerWaalsContact O-N 3.08Å; Q76-K78 VanDerWaalsContact C-N 3.31Å; Q76-K78 PolarHBondContact O-N 2.9Å; K78-L82 WeakPolarHBondContact O-CB 3.22Å; K78-L82 VanDerWaalsContact O-CG 3.28Å; K78-L82 WeakPolarHBondContact O-CG 3.21Å; K78-L82 PolarHBondContact O-N 2.95Å
79E91.5Very high91.2Very high124 Ų124107.9 Ų107.958%0.57951%0.511SS*.Hα-helixtrans-68.4-47.2178.4-171.3171.917900111.7R75 Q76 L82 A83R75-E79 WeakPolarHBondContact O-CB 3.39Å; R75-E79 PolarHBondContact O-N 3.03Å; Q76-E79 WeakPolarHBondContact O-CB 3.15Å; Q76-E79 PolarHBondContact O-N 2.89Å; E79-L82 PolarHBondContact O-N 3.25Å; E79-A83 PolarHBondContact O-N 3.38Å
80E92.2Very high91.8Very high138 Ų138105.4 Ų105.465%0.64550%0.501SS*.Hα-helixtrans-59.1-45.7173.1-179176.3-156.900111.8Q76 L82 A83 E84Q76-E80 VanDerWaalsContact O-CB 3.28Å; Q76-E80 WeakPolarHBondContact O-CB 3.49Å; Q76-E80 PolarHBondContact O-N 3.47Å; E80-L82 VanDerWaalsContact C-N 3.33Å; E80-L82 PolarHBondContact O-N 3.14Å; E80-A83 PolarHBondContact O-N 3.41Å; E80-E84 PolarHBondContact O-N 2.84Å
81K95.1Very high92.2Very high124 Ų124106.2 Ų106.254%0.53950%0.504SS..Hα-helixtrans-61.1-40.7175.3-175.3-177.6175.9-171.50112.4F77 Q85F77-K81 VanDerWaalsContact O-CB 3.26Å; F77-K81 WeakPolarHBondContact O-CB 3.47Å; F77-K81 PolarHBondContact O-N 3.4Å; F77-K81 VanDerWaalsContact O-N 3.1Å; K81-Q85 WeakPolarHBondContact O-CG 3.36Å; K81-Q85 PolarHBondContact O-N 2.93Å
82L94Very high92.6Very high103 Ų103106.7 Ų106.754%0.53951%0.506SS..Hα-helixtrans-68.3-37.1176.4-74.8168.9000111.8K78 E79 E80 Q85 L86K78-L82 WeakPolarHBondContact O-CB 3.22Å; K78-L82 VanDerWaalsContact O-CG 3.28Å; K78-L82 WeakPolarHBondContact O-CG 3.21Å; K78-L82 PolarHBondContact O-N 2.95Å; E79-L82 PolarHBondContact O-N 3.25Å; E80-L82 VanDerWaalsContact C-N 3.33Å; E80-L82 PolarHBondContact O-N 3.14Å; L82-Q85 PolarHBondContact O-N 3.44Å; L82-L86 WeakPolarHBondContact O-CB 3.35Å; L82-L86 WeakPolarHBondContact O-CG 3.35Å; L82-L86 PolarHBondContact O-N 2.95Å
83A94.6Very high92.9Very high56 Ų56106 Ų10646%0.46350%0.504SS..Hα-helixtrans-62.8-44.3175.500000112.1E79 E80 L86 K87E79-A83 PolarHBondContact O-N 3.38Å; E80-A83 PolarHBondContact O-N 3.41Å; A83-L86 PolarHBondContact O-N 3.5Å; A83-K87 WeakPolarHBondContact O-CB 3.31Å; A83-K87 PolarHBondContact O-N 3.22Å
84E95.6Very high93.6Very high79 Ų79108.9 Ų108.937%0.36952%0.516SS..Hα-helixtrans-68.5-35.4176.6-176.255.6-153.200111.9E80 K87 Q88E80-E84 PolarHBondContact O-N 2.84Å; E84-K87 PolarHBondContact O-N 2.88Å; E84-K87 IonicContact OE1-NZ 3.04Å; E84-K87 PolarHBondContact OE1-NZ 3.37Å; E84-K87 IonicContact OE2-NZ 3.79Å; E84-K87 PolarHBondContact OE2-NZ 3.07Å; E84-Q88 VanDerWaalsContact O-CG 3.29Å; E84-Q88 WeakPolarHBondContact O-CG 3.48Å; E84-Q88 PolarHBondContact O-N 3.23Å; E84-Q88 PolarHBondContact OE1-NE2 3.47Å
85Q96.4Very high94.1Very high102 Ų102110.5 Ų110.548%0.47752%0.519SS..Hα-helixtrans-65.7-38.1171.5-72.8-172.5-76.600112.8K81 L82 A89K81-Q85 WeakPolarHBondContact O-CG 3.36Å; K81-Q85 PolarHBondContact O-N 2.93Å; L82-Q85 PolarHBondContact O-N 3.44Å; Q85-A89 WeakPolarHBondContact O-CB 3.44Å; Q85-A89 PolarHBondContact O-N 3.34Å
86L96.4Very high94.6Very high124 Ų124108 Ų10865%0.64951%0.513SS*.Hα-helixtrans-66.9-40.4174.8-77.5167.8000111.9L82 A83 A89 E90L82-L86 WeakPolarHBondContact O-CB 3.35Å; L82-L86 WeakPolarHBondContact O-CG 3.35Å; L82-L86 PolarHBondContact O-N 2.95Å; A83-L86 PolarHBondContact O-N 3.5Å; L86-A89 PolarHBondContact O-N 2.91Å; L86-E90 PolarHBondContact O-N 2.88Å
87K96.7Very high95Very high96 Ų96108 Ų10842%0.41752%0.519SS..Hα-helixtrans-59.9-49.2173.9171.1170.4152.3-75.10111.4A83 E84 A89 E90 E91A83-K87 WeakPolarHBondContact O-CB 3.31Å; A83-K87 PolarHBondContact O-N 3.22Å; E84-K87 PolarHBondContact O-N 2.88Å; E84-K87 IonicContact OE1-NZ 3.04Å; E84-K87 PolarHBondContact OE1-NZ 3.37Å; E84-K87 IonicContact OE2-NZ 3.79Å; E84-K87 PolarHBondContact OE2-NZ 3.07Å; K87-A89 VanDerWaalsContact C-N 3.31Å; K87-A89 PolarHBondContact O-N 2.96Å; K87-E90 PolarHBondContact O-N 3.24Å; K87-E91 WeakPolarHBondContact CE-OE1 3.29Å; K87-E91 VanDerWaalsContact CG-OE1 3.3Å; K87-E91 WeakPolarHBondContact CG-OE1 3.35Å; K87-E91 IonicContact NZ-OE1 3.15Å; K87-E91 PolarHBondContact NZ-OE1 3.21Å; K87-E91 WeakPolarHBondContact O-CG 3.39Å; K87-E91 PolarHBondContact O-N 2.85Å
88Q96.4Very high95.6Very high93 Ų93106.2 Ų106.244%0.43552%0.515SS..Hα-helixtrans-61.8-37176.2-70.2168.912.800112.4E84 L92E84-Q88 VanDerWaalsContact O-CG 3.29Å; E84-Q88 WeakPolarHBondContact O-CG 3.48Å; E84-Q88 PolarHBondContact O-N 3.23Å; E84-Q88 PolarHBondContact OE1-NE2 3.47Å; Q88-L92 WeakPolarHBondContact O-CB 3.35Å; Q88-L92 VanDerWaalsContact O-CG 3.3Å; Q88-L92 WeakPolarHBondContact O-CG 3.46Å; Q88-L92 PolarHBondContact O-N 2.97Å
89A95.6Very high96Very high56 Ų56102.7 Ų102.746%0.46350%0.503SS..Hα-helixtrans-67-37.6175.600000112.9Q85 L86 K87 R93Q85-A89 WeakPolarHBondContact O-CB 3.44Å; Q85-A89 PolarHBondContact O-N 3.34Å; L86-A89 PolarHBondContact O-N 2.91Å; K87-A89 VanDerWaalsContact C-N 3.31Å; K87-A89 PolarHBondContact O-N 2.96Å; A89-R93 WeakPolarHBondContact O-CB 3.34Å; A89-R93 PolarHBondContact O-N 3.03Å
90E96.6Very high96.2Very high74 Ų74100 Ų10035%0.34649%0.49SS..Hα-helixtrans-73.6-37.4176.2-175.558.8-149.200111.9L86 K87 R93 Q94L86-E90 PolarHBondContact O-N 2.88Å; K87-E90 PolarHBondContact O-N 3.24Å; E90-R93 VanDerWaalsContact CD-NH1 3.25Å; E90-R93 WeakPolarHBondContact O-CB 3.48Å; E90-R93 PolarHBondContact O-N 3.39Å; E90-R93 IonicContact OE1-CZ 3.96Å; E90-R93 IonicContact OE1-NH1 2.78Å; E90-R93 PolarHBondContact OE1-NH1 3.3Å; E90-R93 WeakPolarHBondContact OE2-CD 3.34Å; E90-R93 IonicContact OE2-CZ 3.49Å; E90-R93 IonicContact OE2-NE 2.61Å; E90-R93 IonicContact OE2-NH1 2.95Å; E90-R93 PolarHBondContact OE2-NH1 3.37Å; E90-Q94 WeakPolarHBondContact O-CG 3.34Å; E90-Q94 PolarHBondContact O-N 2.89Å; E90-Q94 PolarHBondContact OE1-NE2 2.68Å
91E96.6Very high96.5Very high99 Ų9995.4 Ų95.446%0.46347%0.474SS..Hα-helixtrans-59.9-46.1170.8-73.5169.9-166.700111.2K87 R93 Q94 Y95K87-E91 WeakPolarHBondContact CE-OE1 3.29Å; K87-E91 VanDerWaalsContact CG-OE1 3.3Å; K87-E91 WeakPolarHBondContact CG-OE1 3.35Å; K87-E91 IonicContact NZ-OE1 3.15Å; K87-E91 PolarHBondContact NZ-OE1 3.21Å; K87-E91 WeakPolarHBondContact O-CG 3.39Å; K87-E91 PolarHBondContact O-N 2.85Å; E91-R93 VanDerWaalsContact C-N 3.35Å; E91-R93 PolarHBondContact O-N 3.31Å; E91-Q94 PolarHBondContact O-N 3.07Å; E91-Y95 PolarHBondContact O-N 3.04Å
92L96.9Very high96.6Very high114 Ų11495 Ų9560%0.59747%0.473SS*.Hα-helixtrans-63.6-36.9174.2-74.6169.9000112.8Q88 Y95 K96Q88-L92 WeakPolarHBondContact O-CB 3.35Å; Q88-L92 VanDerWaalsContact O-CG 3.3Å; Q88-L92 WeakPolarHBondContact O-CG 3.46Å; Q88-L92 PolarHBondContact O-N 2.97Å; L92-Y95 PolarHBondContact O-N 2.98Å; L92-K96 WeakPolarHBondContact O-CB 3.4Å; L92-K96 PolarHBondContact O-N 2.78Å
93R96.8Very high96.8Very high158 Ų15894.4 Ų94.460%0.59647%0.468SS*.Hα-helixtrans-64.5-41.9175.1178.8-177.6169.8-125.1-3.4111.5A89 E90 E91 K96 V97A89-R93 WeakPolarHBondContact O-CB 3.34Å; A89-R93 PolarHBondContact O-N 3.03Å; E90-R93 VanDerWaalsContact CD-NH1 3.25Å; E90-R93 WeakPolarHBondContact O-CB 3.48Å; E90-R93 PolarHBondContact O-N 3.39Å; E90-R93 IonicContact OE1-CZ 3.96Å; E90-R93 IonicContact OE1-NH1 2.78Å; E90-R93 PolarHBondContact OE1-NH1 3.3Å; E90-R93 WeakPolarHBondContact OE2-CD 3.34Å; E90-R93 IonicContact OE2-CZ 3.49Å; E90-R93 IonicContact OE2-NE 2.61Å; E90-R93 IonicContact OE2-NH1 2.95Å; E90-R93 PolarHBondContact OE2-NH1 3.37Å; E91-R93 VanDerWaalsContact C-N 3.35Å; E91-R93 PolarHBondContact O-N 3.31Å; R93-K96 PolarHBondContact O-N 2.98Å; R93-V97 WeakPolarHBondContact O-CG2 3.42Å; R93-V97 PolarHBondContact O-N 3.01Å; R93-V97 VanDerWaalsContact O-N 3.14Å
94Q97.1Very high96.9Very high117 Ų11799.5 Ų99.555%0.54748%0.475SS..Hα-helixtrans-66.1-44.4175.8-71171.823.600111.4E90 E91 K96 V97 L98E90-Q94 WeakPolarHBondContact O-CG 3.34Å; E90-Q94 PolarHBondContact O-N 2.89Å; E90-Q94 PolarHBondContact OE1-NE2 2.68Å; E91-Q94 PolarHBondContact O-N 3.07Å; Q94-K96 VanDerWaalsContact C-N 3.35Å; Q94-K96 PolarHBondContact O-N 3.21Å; Q94-V97 PolarHBondContact O-N 2.93Å; Q94-L98 PolarHBondContact O-N 3.31Å
95Y96.6Very high97Very high131 Ų131102 Ų10251%0.51449%0.487SS..Hα-helixtrans-58.8-44.4174.4-176.6-106.8000112E91 L92 V97 L98 V99E91-Y95 PolarHBondContact O-N 3.04Å; L92-Y95 PolarHBondContact O-N 2.98Å; Y95-V97 VanDerWaalsContact C-N 3.31Å; Y95-V97 PolarHBondContact O-N 3.37Å; Y95-L98 WeakPolarHBondContact O-CB 3.27Å; Y95-L98 PolarHBondContact O-N 3Å; Y95-L98 VanDerWaalsContact O-N 3.1Å; Y95-V99 HydrophobicContact CD1-CG2 4.01Å; Y95-V99 HydrophobicContact CD2-CG2 4.45Å; Y95-V99 HydrophobicContact CE1-CG2 3.56Å; Y95-V99 HydrophobicContact CE2-CG2 4.04Å; Y95-V99 HydrophobicContact CG-CG2 4.43Å; Y95-V99 WeakPolarHBondContact O-CG2 3.2Å; Y95-V99 PolarHBondContact O-N 3.42Å
96K97.4Very high97Very high129 Ų129100.8 Ų100.856%0.56148%0.483SS*.Hα-helixtrans-60.7-36.7176.1-177.7167.4-177.21700113.2L92 R93 Q94 H100L92-K96 WeakPolarHBondContact O-CB 3.4Å; L92-K96 PolarHBondContact O-N 2.78Å; R93-K96 PolarHBondContact O-N 2.98Å; Q94-K96 VanDerWaalsContact C-N 3.35Å; Q94-K96 PolarHBondContact O-N 3.21Å; K96-H100 WeakPolarHBondContact CE-NE2 3.21Å; K96-H100 WeakPolarHBondContact O-CB 3.49Å; K96-H100 PolarHBondContact O-CD2 3Å; K96-H100 VanDerWaalsContact O-CD2 3.26Å; K96-H100 PolarHBondContact O-N 2.93Å; K96-H100 VanDerWaalsContact O-N 3.08Å
97V97.4Very high97.1Very high99 Ų9998.8 Ų98.860%0.648%0.477SS*.Hα-helixtrans-66.2-41.4174171.80000111.1R93 Q94 Y95 H100 S101R93-V97 WeakPolarHBondContact O-CG2 3.42Å; R93-V97 PolarHBondContact O-N 3.01Å; R93-V97 VanDerWaalsContact O-N 3.14Å; Q94-V97 PolarHBondContact O-N 2.93Å; Y95-V97 VanDerWaalsContact C-N 3.31Å; Y95-V97 PolarHBondContact O-N 3.37Å; V97-H100 PolarHBondContact O-N 3.41Å; V97-S101 PolarHBondContact O-N 3.21Å; V97-S101 PolarHBondContact O-OG 3.34Å
98L97.4Very high97.1Very high102 Ų10299.2 Ų99.253%0.53448%0.48SS..Hα-helixtrans-63.9-47.1177.6-178.562.8000112.1Q94 Y95 H100 S101 Q102Q94-L98 PolarHBondContact O-N 3.31Å; Y95-L98 WeakPolarHBondContact O-CB 3.27Å; Y95-L98 PolarHBondContact O-N 3Å; Y95-L98 VanDerWaalsContact O-N 3.1Å; L98-H100 PolarHBondContact O-N 3.14Å; L98-S101 WeakPolarHBondContact CA-OG 3.29Å; L98-S101 PolarHBondContact O-N 3.31Å; L98-S101 VanDerWaalsContact O-N 3.1Å; L98-S101 PolarHBondContact O-OG 2.81Å; L98-Q102 PolarHBondContact O-N 2.77Å
99V97.9Very high97.1Very high39 Ų3999.3 Ų99.324%0.23648%0.483CS..Hα-helixtrans-57.5-49175.31740000110.3Y95 S101 Q102 E103Y95-V99 HydrophobicContact CD1-CG2 4.01Å; Y95-V99 HydrophobicContact CD2-CG2 4.45Å; Y95-V99 HydrophobicContact CE1-CG2 3.56Å; Y95-V99 HydrophobicContact CE2-CG2 4.04Å; Y95-V99 HydrophobicContact CG-CG2 4.43Å; Y95-V99 WeakPolarHBondContact O-CG2 3.2Å; Y95-V99 PolarHBondContact O-N 3.42Å; V99-S101 VanDerWaalsContact C-N 3.26Å; V99-S101 PolarHBondContact O-N 2.88Å; V99-Q102 PolarHBondContact O-N 3.42Å; V99-E103 HydrophobicContact CG1-CG 4.25Å; V99-E103 WeakPolarHBondContact O-CG 3.47Å; V99-E103 PolarHBondContact O-N 2.96Å
100H97.4Very high97.1Very high67 Ų67104.9 Ų104.931%0.3149%0.492SS..Hα-helixtrans-65.3-20.3176.9-71.9-36.1000114.8K96 V97 L98 E103 R104K96-H100 WeakPolarHBondContact CE-NE2 3.21Å; K96-H100 WeakPolarHBondContact O-CB 3.49Å; K96-H100 PolarHBondContact O-CD2 3Å; K96-H100 VanDerWaalsContact O-CD2 3.26Å; K96-H100 PolarHBondContact O-N 2.93Å; K96-H100 VanDerWaalsContact O-N 3.08Å; V97-H100 PolarHBondContact O-N 3.41Å; L98-H100 PolarHBondContact O-N 3.14Å; H100-E103 WeakPolarHBondContact CA-OE2 3.44Å; H100-E103 IonicContact CE1-OE2 3.75Å; H100-E103 IonicContact CG-OE2 3.66Å; H100-E103 IonicContact ND1-OE1 3.94Å; H100-E103 IonicContact ND1-OE2 2.93Å; H100-E103 PolarHBondContact ND1-OE2 3.19Å; H100-R104 VanDerWaalsContact O-CD 3.23Å; H100-R104 WeakPolarHBondContact O-CD 3.46Å; H100-R104 VanDerWaalsContact O-CG 3.25Å; H100-R104 WeakPolarHBondContact O-CG 3.45Å; H100-R104 PolarHBondContact O-NE 2.98Å
101S96.8Very high97.1Very high42 Ų42106.8 Ų106.829%0.29450%0.501SS..Hα-helixtrans-76.3-44.5166.343.90000112V97 L98 V99 E103 R104 E105V97-S101 PolarHBondContact O-N 3.21Å; V97-S101 PolarHBondContact O-OG 3.34Å; L98-S101 WeakPolarHBondContact CA-OG 3.29Å; L98-S101 PolarHBondContact O-N 3.31Å; L98-S101 VanDerWaalsContact O-N 3.1Å; L98-S101 PolarHBondContact O-OG 2.81Å; V99-S101 VanDerWaalsContact C-N 3.26Å; V99-S101 PolarHBondContact O-N 2.88Å; S101-E103 PolarHBondContact O-N 3.44Å; S101-R104 WeakPolarHBondContact O-CB 3.43Å; S101-R104 PolarHBondContact O-N 2.77Å; S101-R104 VanDerWaalsContact O-N 3.15Å; S101-E105 PolarHBondContact O-N 3.22Å; S101-E105 VanDerWaalsContact O-N 3.09Å
102Q98.2Very high97.1Very high114 Ų114108.1 Ų108.153%0.53351%0.505SS..Hα-helixtrans-65.5-38.7-179.1-169.9174.8-2.500112.1L98 V99 R104 E105 L106L98-Q102 PolarHBondContact O-N 2.77Å; V99-Q102 PolarHBondContact O-N 3.42Å; Q102-R104 VanDerWaalsContact C-N 3.29Å; Q102-R104 PolarHBondContact O-N 2.68Å; Q102-E105 PolarHBondContact O-N 3.01Å; Q102-L106 HydrophobicContact CG-CD1 4.26Å; Q102-L106 WeakPolarHBondContact O-CB 3.35Å; Q102-L106 VanDerWaalsContact O-CG 3.31Å; Q102-L106 WeakPolarHBondContact O-CG 3.35Å; Q102-L106 PolarHBondContact O-N 2.79Å
103E97.2Very high97Very high92 Ų92106.2 Ų106.243%0.4350%0.496SS..Hα-helixtrans-56-40.6171.6-74.4169.817300112.5V99 H100 S101 T107V99-E103 HydrophobicContact CG1-CG 4.25Å; V99-E103 WeakPolarHBondContact O-CG 3.47Å; V99-E103 PolarHBondContact O-N 2.96Å; H100-E103 WeakPolarHBondContact CA-OE2 3.44Å; H100-E103 IonicContact CE1-OE2 3.75Å; H100-E103 IonicContact CG-OE2 3.66Å; H100-E103 IonicContact ND1-OE1 3.94Å; H100-E103 IonicContact ND1-OE2 2.93Å; H100-E103 PolarHBondContact ND1-OE2 3.19Å; S101-E103 PolarHBondContact O-N 3.44Å; E103-T107 WeakPolarHBondContact O-CB 3.31Å; E103-T107 PolarHBondContact O-N 3.16Å; E103-T107 PolarHBondContact O-OG1 2.85Å
104R97.5Very high97Very high162 Ų162106.3 Ų106.361%0.61150%0.496SS*.Hα-helixtrans-70.6-42178.4-66.9167-168.7161.66111.5H100 S101 Q102 T107 Q108H100-R104 VanDerWaalsContact O-CD 3.23Å; H100-R104 WeakPolarHBondContact O-CD 3.46Å; H100-R104 VanDerWaalsContact O-CG 3.25Å; H100-R104 WeakPolarHBondContact O-CG 3.45Å; H100-R104 PolarHBondContact O-NE 2.98Å; S101-R104 WeakPolarHBondContact O-CB 3.43Å; S101-R104 PolarHBondContact O-N 2.77Å; S101-R104 VanDerWaalsContact O-N 3.15Å; Q102-R104 VanDerWaalsContact C-N 3.29Å; Q102-R104 PolarHBondContact O-N 2.68Å; R104-T107 WeakPolarHBondContact O-CB 3.45Å; R104-T107 PolarHBondContact O-N 3.47Å; R104-Q108 WeakPolarHBondContact O-CG 3.02Å; R104-Q108 PolarHBondContact O-N 3.02Å
105E98.1Very high97Very high131 Ų131106.4 Ų106.461%0.61250%0.496SS*.Hα-helixtrans-63.9-43.6176.2-70.5179.7-167.300111.5S101 Q102 T107 Q108 L109S101-E105 PolarHBondContact O-N 3.22Å; S101-E105 VanDerWaalsContact O-N 3.09Å; Q102-E105 PolarHBondContact O-N 3.01Å; E105-T107 VanDerWaalsContact C-N 3.3Å; E105-T107 PolarHBondContact O-N 2.79Å; E105-Q108 PolarHBondContact O-N 3.23Å; E105-L109 WeakPolarHBondContact O-CB 3.32Å; E105-L109 PolarHBondContact O-N 2.73Å
106L96.8Very high97Very high77 Ų77101.4 Ų101.440%0.40348%0.484SS..Hα-helixtrans-61.8-37.2172.8-72.1171.7000112.2Q102 L109 R110Q102-L106 HydrophobicContact CG-CD1 4.26Å; Q102-L106 WeakPolarHBondContact O-CB 3.35Å; Q102-L106 VanDerWaalsContact O-CG 3.31Å; Q102-L106 WeakPolarHBondContact O-CG 3.35Å; Q102-L106 PolarHBondContact O-N 2.79Å; L106-L109 PolarHBondContact O-N 2.93Å; L106-R110 WeakPolarHBondContact O-CB 3.48Å; L106-R110 WeakPolarHBondContact O-CD 3.3Å; L106-R110 VanDerWaalsContact O-CG 3.23Å; L106-R110 WeakPolarHBondContact O-CG 3.18Å; L106-R110 PolarHBondContact O-N 3.03Å
107T96.9Very high96.9Very high83 Ų8398 Ų9851%0.50947%0.468SS..Hα-helixtrans-65.5-47.1175.8-59.70000111.4E103 R104 E105 L109 R110 E111E103-T107 WeakPolarHBondContact O-CB 3.31Å; E103-T107 PolarHBondContact O-N 3.16Å; E103-T107 PolarHBondContact O-OG1 2.85Å; R104-T107 WeakPolarHBondContact O-CB 3.45Å; R104-T107 PolarHBondContact O-N 3.47Å; E105-T107 VanDerWaalsContact C-N 3.3Å; E105-T107 PolarHBondContact O-N 2.79Å; T107-L109 VanDerWaalsContact C-N 3.3Å; T107-L109 PolarHBondContact O-N 2.82Å; T107-R110 PolarHBondContact O-N 3.27Å; T107-E111 WeakPolarHBondContact O-CB 3.43Å; T107-E111 PolarHBondContact O-N 3.24Å
108Q97.6Very high96.9Very high104 Ų10496 Ų9649%0.48645%0.454SS..Hα-helixtrans-63.5-32.7174.9-69.7175.816.500112.9R104 E105 K112R104-Q108 WeakPolarHBondContact O-CG 3.02Å; R104-Q108 PolarHBondContact O-N 3.02Å; E105-Q108 PolarHBondContact O-N 3.23Å; Q108-K112 WeakPolarHBondContact O-CG 3.45Å; Q108-K112 PolarHBondContact O-N 3.44Å; Q108-K112 VanDerWaalsContact O-N 3.07Å
109L96.6Very high96.8Very high96 Ų9694.2 Ų94.250%0.50345%0.453SS..Hα-helixtrans-71.1-43.4174.8-175.961000111.5E105 L106 T107 E111 K112 L113E105-L109 WeakPolarHBondContact O-CB 3.32Å; E105-L109 PolarHBondContact O-N 2.73Å; L106-L109 PolarHBondContact O-N 2.93Å; T107-L109 VanDerWaalsContact C-N 3.3Å; T107-L109 PolarHBondContact O-N 2.82Å; L109-E111 VanDerWaalsContact C-N 3.28Å; L109-E111 PolarHBondContact O-N 2.99Å; L109-K112 PolarHBondContact O-N 3.17Å; L109-L113 HydrophobicContact CG-CD1 4.24Å; L109-L113 WeakPolarHBondContact O-CB 3.44Å; L109-L113 VanDerWaalsContact O-CG 3.29Å; L109-L113 WeakPolarHBondContact O-CG 3.44Å; L109-L113 PolarHBondContact O-N 2.95Å
110R95.3Very high96.7Very high172 Ų17293 Ų9365%0.64945%0.447SS*.Hα-helixtrans-61.2-36173.9-75.3166170.1173.9-5.6112.2L106 T107 R114L106-R110 WeakPolarHBondContact O-CB 3.48Å; L106-R110 WeakPolarHBondContact O-CD 3.3Å; L106-R110 VanDerWaalsContact O-CG 3.23Å; L106-R110 WeakPolarHBondContact O-CG 3.18Å; L106-R110 PolarHBondContact O-N 3.03Å; T107-R110 PolarHBondContact O-N 3.27Å; R110-R114 PolarHBondContact O-N 3.1Å; R110-R114 VanDerWaalsContact O-N 3.14Å
111E96.8Very high96.7Very high115 Ų11594.2 Ų94.254%0.53745%0.449SS..Hα-helixtrans-64.8-53.1173-173.8167.3-13300111.3T107 L109 L113 R114 E115T107-E111 WeakPolarHBondContact O-CB 3.43Å; T107-E111 PolarHBondContact O-N 3.24Å; L109-E111 VanDerWaalsContact C-N 3.28Å; L109-E111 PolarHBondContact O-N 2.99Å; E111-L113 VanDerWaalsContact C-N 3.3Å; E111-L113 PolarHBondContact O-N 3.49Å; E111-R114 CarbonylContact O-C 3.59Å; E111-R114 WeakPolarHBondContact O-CA 3.33Å; E111-R114 VanDerWaalsContact O-CB 3.26Å; E111-R114 WeakPolarHBondContact O-CB 3.2Å; E111-R114 PolarHBondContact O-N 3.43Å; E111-E115 PolarHBondContact O-N 2.73Å
112K96.8Very high96.7Very high126 Ų12694.7 Ų94.755%0.54845%0.452SS..Hα-helixtrans-61.1-34.1177.3-73167.9-177.8167.60113.9Q108 L109 R114 G116Q108-K112 WeakPolarHBondContact O-CG 3.45Å; Q108-K112 PolarHBondContact O-N 3.44Å; Q108-K112 VanDerWaalsContact O-N 3.07Å; L109-K112 PolarHBondContact O-N 3.17Å; K112-R114 VanDerWaalsContact C-N 3.33Å; K112-G116 PolarHBondContact O-N 3.26Å
113L95.4Very high96.6Very high75 Ų7593.3 Ų93.339%0.39345%0.448SS..Hα-helixtrans-66.9-35172.8-73.3169.5000111.8L109 E111 R117 L162L109-L113 HydrophobicContact CG-CD1 4.24Å; L109-L113 WeakPolarHBondContact O-CB 3.44Å; L109-L113 VanDerWaalsContact O-CG 3.29Å; L109-L113 WeakPolarHBondContact O-CG 3.44Å; L109-L113 PolarHBondContact O-N 2.95Å; E111-L113 VanDerWaalsContact C-N 3.3Å; E111-L113 PolarHBondContact O-N 3.49Å; L113-R117 VanDerWaalsContact O-CB 3.32Å; L113-R117 WeakPolarHBondContact O-CB 3.48Å; L113-R117 PolarHBondContact O-N 3.45Å; L113-L162 HydrophobicContact CD2-CD2 3.73Å
114R95.8Very high96.4Very high159 Ų15991.4 Ų91.460%0.644%0.437SS*.Hα-helixtrans-68.3-49.9173.1-169.6-174.5-57.4-166.30.2111.2R110 E111 K112 G116 R117 D118R110-R114 PolarHBondContact O-N 3.1Å; R110-R114 VanDerWaalsContact O-N 3.14Å; E111-R114 CarbonylContact O-C 3.59Å; E111-R114 WeakPolarHBondContact O-CA 3.33Å; E111-R114 VanDerWaalsContact O-CB 3.26Å; E111-R114 WeakPolarHBondContact O-CB 3.2Å; E111-R114 PolarHBondContact O-N 3.43Å; K112-R114 VanDerWaalsContact C-N 3.33Å; R114-G116 VanDerWaalsContact C-N 3.3Å; R114-G116 PolarHBondContact O-N 3.07Å; R114-R117 WeakPolarHBondContact O-CB 3.3Å; R114-R117 PolarHBondContact O-N 2.85Å; R114-R117 VanDerWaalsContact O-N 3.11Å; R114-D118 WeakPolarHBondContact O-CB 3.34Å; R114-D118 VanDerWaalsContact O-CG 3.29Å; R114-D118 PolarHBondContact O-N 3.31Å
115E96.9Very high96.2Very high120 Ų12088.4 Ų88.456%0.56143%0.43SS*.Hα-helixtrans-53.4-47174-66.3179.1140.600111.6E111 D118 A119E111-E115 PolarHBondContact O-N 2.73Å; E115-D118 PolarHBondContact O-N 2.92Å; E115-A119 VanDerWaalsContact O-CB 3.28Å; E115-A119 WeakPolarHBondContact O-CB 3.41Å; E115-A119 PolarHBondContact O-N 2.92Å
116G96.4Very high96.1Very high25 Ų2588.3 Ų88.326%0.25843%0.429SS..Hα-helixtrans-64.3-38.3177.300000113.6K112 R114 S120K112-G116 PolarHBondContact O-N 3.26Å; R114-G116 VanDerWaalsContact C-N 3.3Å; R114-G116 PolarHBondContact O-N 3.07Å; G116-S120 VanDerWaalsContact O-CB 3.3Å; G116-S120 WeakPolarHBondContact O-CB 3.34Å; G116-S120 PolarHBondContact O-N 3.08Å; G116-S120 PolarHBondContact O-OG 3.43Å
117R96.1Very high95.8Very high58 Ų5886 Ų8622%0.21942%0.418CS..Hα-helixtrans-65.3-44.9174.6-171.3-163.4-54.2171.5-1.6111.2L113 R114 S120 R121 V159 L162L113-R117 VanDerWaalsContact O-CB 3.32Å; L113-R117 WeakPolarHBondContact O-CB 3.48Å; L113-R117 PolarHBondContact O-N 3.45Å; R114-R117 WeakPolarHBondContact O-CB 3.3Å; R114-R117 PolarHBondContact O-N 2.85Å; R114-R117 VanDerWaalsContact O-N 3.11Å; R117-S120 WeakPolarHBondContact O-CB 3.07Å; R117-S120 PolarHBondContact O-N 2.93Å; R117-R121 PolarHBondContact O-N 3.47Å; R117-V159 HydrophobicContact CG-CG1 4.2Å; R117-L162 HydrophobicContact CB-CB 3.83Å; R117-L162 HydrophobicContact CG-CB 4.18Å; R117-L162 PolarHBondContact NE-O 2.99Å; R117-L162 PolarHBondContact NH2-O 3.2Å
118D96.1Very high95.5Very high58 Ų5887 Ų8731%0.3142%0.416SS..Hα-helixtrans-70.6-41.8-177.6-66-27.7000111R114 E115 S120 R121 S122R114-D118 WeakPolarHBondContact O-CB 3.34Å; R114-D118 VanDerWaalsContact O-CG 3.29Å; R114-D118 PolarHBondContact O-N 3.31Å; E115-D118 PolarHBondContact O-N 2.92Å; D118-S120 VanDerWaalsContact C-N 3.32Å; D118-S120 PolarHBondContact O-N 2.95Å; D118-R121 WeakPolarHBondContact O-CB 3.46Å; D118-R121 PolarHBondContact O-N 3.14Å; D118-R121 VanDerWaalsContact O-N 3.1Å; D118-R121 IonicContact OD1-CZ 2.71Å; D118-R121 IonicContact OD1-NH1 3.79Å; D118-R121 PolarHBondContact OD1-NH1 3.18Å; D118-R121 IonicContact OD1-NH2 2.72Å; D118-R121 PolarHBondContact OD1-NH2 3.29Å; D118-S122 PolarHBondContact O-N 2.95Å; D118-S122 PolarHBondContact O-OG 3.04Å
119A97.1Very high95.1Very high63 Ų6385.1 Ų85.152%0.52142%0.419SS..Hα-helixtrans-60.8-38.5170.100000112.5E115 R121 S122 L123E115-A119 VanDerWaalsContact O-CB 3.28Å; E115-A119 WeakPolarHBondContact O-CB 3.41Å; E115-A119 PolarHBondContact O-N 2.92Å; A119-R121 VanDerWaalsContact C-N 3.31Å; A119-R121 PolarHBondContact O-N 3.46Å; A119-S122 PolarHBondContact O-N 3.49Å; A119-L123 WeakPolarHBondContact O-CB 3.31Å; A119-L123 PolarHBondContact O-N 3.39Å
120S96Very high94.7Very high14 Ų1486 Ų8610%0.09842%0.423CS..Hα-helixtrans-66.3-32.6174-59.80000112.3G116 R117 D118 Y124G116-S120 VanDerWaalsContact O-CB 3.3Å; G116-S120 WeakPolarHBondContact O-CB 3.34Å; G116-S120 PolarHBondContact O-N 3.08Å; G116-S120 PolarHBondContact O-OG 3.43Å; R117-S120 WeakPolarHBondContact O-CB 3.07Å; R117-S120 PolarHBondContact O-N 2.93Å; D118-S120 VanDerWaalsContact C-N 3.32Å; D118-S120 PolarHBondContact O-N 2.95Å; S120-Y124 WeakPolarHBondContact O-CB 3.48Å; S120-Y124 PolarHBondContact O-N 2.89Å
121R96.1Very high94Very high92 Ų9280 Ų8035%0.34740%0.404SS..Hα-helixtrans-69.8-48.2174.5-163.4-167.5-56.9101.311.8111.2R117 D118 A119 L123 Y124 E125 V159R117-R121 PolarHBondContact O-N 3.47Å; D118-R121 WeakPolarHBondContact O-CB 3.46Å; D118-R121 PolarHBondContact O-N 3.14Å; D118-R121 VanDerWaalsContact O-N 3.1Å; D118-R121 IonicContact OD1-CZ 2.71Å; D118-R121 IonicContact OD1-NH1 3.79Å; D118-R121 PolarHBondContact OD1-NH1 3.18Å; D118-R121 IonicContact OD1-NH2 2.72Å; D118-R121 PolarHBondContact OD1-NH2 3.29Å; A119-R121 VanDerWaalsContact C-N 3.31Å; A119-R121 PolarHBondContact O-N 3.46Å; R121-L123 VanDerWaalsContact C-N 3.28Å; R121-L123 PolarHBondContact O-N 3.06Å; R121-Y124 WeakPolarHBondContact O-CB 3.35Å; R121-Y124 PolarHBondContact O-N 3.25Å; R121-Y124 VanDerWaalsContact O-N 3.1Å; R121-E125 WeakPolarHBondContact CD-OE1 3.23Å; R121-E125 WeakPolarHBondContact CG-OE1 3.45Å; R121-E125 WeakPolarHBondContact O-CG 3.42Å; R121-E125 PolarHBondContact O-N 3.36Å; R121-V159 HydrophobicContact CB-CG2 4.11Å
122S96.8Very high92.9Very high53 Ų5378.9 Ų78.937%0.37141%0.405SS..Hα-helixtrans-60.6-37.5175.1-56.90000112.1D118 A119 E125 H126D118-S122 PolarHBondContact O-N 2.95Å; D118-S122 PolarHBondContact O-OG 3.04Å; A119-S122 PolarHBondContact O-N 3.49Å; S122-E125 PolarHBondContact O-N 3.41Å; S122-H126 WeakPolarHBondContact O-CB 3.25Å; S122-H126 PolarHBondContact O-CD2 2.91Å; S122-H126 VanDerWaalsContact O-CD2 3.22Å; S122-H126 PolarHBondContact O-N 3.46Å
123L95.9Very high91.4Very high85 Ų8579 Ų7945%0.44542%0.419SS..Hα-helixtrans-62.6-45.6172.3178.362000111.9A119 R121 H126 L127 A155A119-L123 WeakPolarHBondContact O-CB 3.31Å; A119-L123 PolarHBondContact O-N 3.39Å; R121-L123 VanDerWaalsContact C-N 3.28Å; R121-L123 PolarHBondContact O-N 3.06Å; L123-H126 PolarHBondContact O-N 3.43Å; L123-L127 HydrophobicContact CD1-CD1 3.86Å; L123-L127 HydrophobicContact CD1-CG 4.05Å; L123-L127 HydrophobicContact CG-CD1 3.88Å; L123-L127 HydrophobicContact CG-CG 4.46Å; L123-L127 WeakPolarHBondContact O-CB 3.5Å; L123-L127 VanDerWaalsContact O-CG 3.25Å; L123-L127 WeakPolarHBondContact O-CG 3.42Å; L123-L127 PolarHBondContact O-N 3.49Å; L123-A155 HydrophobicContact CD2-CB 4.31Å; L123-A155 HydrophobicContact CG-CB 4.24Å
124Y94.5Very high89.9Confident52 Ų5284.9 Ų84.920%0.20444%0.437CS..Hα-helixtrans-58.7-48.5175.1173.6-96000111.7S120 R121 H126 L127 Q128 C152 A155 Q156S120-Y124 WeakPolarHBondContact O-CB 3.48Å; S120-Y124 PolarHBondContact O-N 2.89Å; R121-Y124 WeakPolarHBondContact O-CB 3.35Å; R121-Y124 PolarHBondContact O-N 3.25Å; R121-Y124 VanDerWaalsContact O-N 3.1Å; Y124-H126 PolarHBondContact O-N 3.06Å; Y124-L127 PolarHBondContact O-N 2.84Å; Y124-Q128 VanDerWaalsContact CE1-OE1 3.32Å; Y124-Q128 VanDerWaalsContact O-CB 3.25Å; Y124-Q128 WeakPolarHBondContact O-CB 3.48Å; Y124-Q128 PolarHBondContact O-N 3.01Å; Y124-C152 HydrophobicContact CD2-CB 4.31Å; Y124-C152 WeakPolarHBondContact CD2-O 3.47Å; Y124-C152 HydrophobicContact CE2-CB 4.2Å; Y124-A155 HydrophobicContact CD2-CB 4.5Å; Y124-Q156 HydrophobicContact CD2-CB 3.78Å; Y124-Q156 HydrophobicContact CD2-CG 4.49Å; Y124-Q156 HydrophobicContact CE2-CB 3.77Å; Y124-Q156 HydrophobicContact CE2-CG 4.17Å
125E93.3Very high88.2Confident99 Ų9985.8 Ų85.846%0.46345%0.448SS..Hα-helixtrans-61-42.4178.8-71.3167.4-161.500112R121 S122 Q128 A129R121-E125 WeakPolarHBondContact CD-OE1 3.23Å; R121-E125 WeakPolarHBondContact CG-OE1 3.45Å; R121-E125 WeakPolarHBondContact O-CG 3.42Å; R121-E125 PolarHBondContact O-N 3.36Å; S122-E125 PolarHBondContact O-N 3.41Å; E125-Q128 PolarHBondContact O-N 3.48Å; E125-A129 WeakPolarHBondContact O-CB 3.4Å; E125-A129 PolarHBondContact O-N 2.86Å
126H93.9Very high86.5Confident128 Ų12883.2 Ų83.259%0.59344%0.442SS*.Hα-helixtrans-66.7-42.7176-69.7-28000112.8S122 L123 Y124 A129 L130S122-H126 WeakPolarHBondContact O-CB 3.25Å; S122-H126 PolarHBondContact O-CD2 2.91Å; S122-H126 VanDerWaalsContact O-CD2 3.22Å; S122-H126 PolarHBondContact O-N 3.46Å; L123-H126 PolarHBondContact O-N 3.43Å; Y124-H126 PolarHBondContact O-N 3.06Å; H126-A129 PolarHBondContact O-N 2.9Å; H126-L130 WeakPolarHBondContact O-CG 2.97Å; H126-L130 PolarHBondContact O-N 3.1Å; H126-L130 VanDerWaalsContact O-N 3.1Å
127L91.6Very high84.9Confident30 Ų3089 Ų8916%0.15747%0.467CS..Hα-helixtrans-67-37.4176.1-67.5169.9000111.5L123 Y124 L130 L131 L148 C152 A155L123-L127 HydrophobicContact CD1-CD1 3.86Å; L123-L127 HydrophobicContact CD1-CG 4.05Å; L123-L127 HydrophobicContact CG-CD1 3.88Å; L123-L127 HydrophobicContact CG-CG 4.46Å; L123-L127 WeakPolarHBondContact O-CB 3.5Å; L123-L127 VanDerWaalsContact O-CG 3.25Å; L123-L127 WeakPolarHBondContact O-CG 3.42Å; L123-L127 PolarHBondContact O-N 3.49Å; Y124-L127 PolarHBondContact O-N 2.84Å; L127-L130 PolarHBondContact O-N 3.34Å; L127-L131 PolarHBondContact O-N 3.05Å; L127-L131 VanDerWaalsContact O-N 3.1Å; L127-L148 HydrophobicContact CD2-CD2 3.84Å; L127-C152 VanDerWaalsContact C-SG 3.56Å; L127-C152 WeakPolarHBondContact CB-SG 3.41Å; L127-A155 HydrophobicContact CD1-CB 4.4Å
128Q90.2Very high83.4Confident103 Ų10394.9 Ų94.948%0.48149%0.494SS..Hα-helixtrans-66.4-36.7174.8-171.4176.229.700112Y124 E125 L130 L131Y124-Q128 VanDerWaalsContact CE1-OE1 3.32Å; Y124-Q128 VanDerWaalsContact O-CB 3.25Å; Y124-Q128 WeakPolarHBondContact O-CB 3.48Å; Y124-Q128 PolarHBondContact O-N 3.01Å; E125-Q128 PolarHBondContact O-N 3.48Å; Q128-L130 VanDerWaalsContact C-N 3.32Å; Q128-L131 PolarHBondContact O-N 3.23Å
129A89.8Confident82Confident65 Ų6596.2 Ų96.254%0.53751%0.508SS..Hα-helixtrans-66.9-31172.800000112.8E125 H126 T132E125-A129 WeakPolarHBondContact O-CB 3.4Å; E125-A129 PolarHBondContact O-N 2.86Å; H126-A129 PolarHBondContact O-N 2.9Å; A129-T132 WeakPolarHBondContact O-CG2 3.49Å
130L87.2Confident80.4Confident114 Ų114101.2 Ų101.260%0.59752%0.521SS*.Hα-helixtrans-74.3-23.9172.9-68.6170.5000112.9H126 L127 Q128 T132 L148H126-L130 WeakPolarHBondContact O-CG 2.97Å; H126-L130 PolarHBondContact O-N 3.1Å; H126-L130 VanDerWaalsContact O-N 3.1Å; L127-L130 PolarHBondContact O-N 3.34Å; Q128-L130 VanDerWaalsContact C-N 3.32Å; L130-T132 PolarHBondContact O-N 3.14Å; L130-T132 VanDerWaalsContact O-N 3.11Å; L130-L148 HydrophobicContact CB-CD1 4.4Å; L130-L148 HydrophobicContact CB-CD2 4.17Å; L130-L148 HydrophobicContact CD1-CD2 4.2Å
131L81.5Confident79.2Confident45 Ų45101.9 Ų101.924%0.23653%0.529CS..THydrogen-bonded Turntrans-76.522.5173.8-76176.8000114.4L127 Q128 Q145 L148 A149 C152L127-L131 PolarHBondContact O-N 3.05Å; L127-L131 VanDerWaalsContact O-N 3.1Å; Q128-L131 PolarHBondContact O-N 3.23Å; L131-Q145 HydrophobicContact CD2-CG 4.03Å; L131-L148 HydrophobicContact CD2-CB 3.54Å; L131-L148 HydrophobicContact CG-CB 4.02Å; L131-A149 HydrophobicContact CD1-CB 4.42Å; L131-C152 HydrophobicContact CD1-CB 4.28Å; L131-C152 WeakPolarHBondContact CD1-SG 3.26Å
132T72.9Confident78.4Confident93 Ų93103.5 Ų103.557%0.57154%0.541SS*.  trans-48.3131.717334.30000111.7A129 L130 Y134A129-T132 WeakPolarHBondContact O-CG2 3.49Å; L130-T132 PolarHBondContact O-N 3.14Å; L130-T132 VanDerWaalsContact O-N 3.11Å; T132-Y134 PolarHBondContact O-N 3.22Å
133P65.6Low77.7Confident128 Ų128106.3 Ų106.383%0.83155%0.552SS**  trans-79.646.2-173.134.8-38.6000112.7
134Y63.4Low77.1Confident198 Ų198107 Ų10778%0.77656%0.555SS**  trans-76.4131.8170.7-161.5-83.2000108.7T132 P136T132-Y134 PolarHBondContact O-N 3.22Å; Y134-P136 WeakPolarHBondContact O-CD 3.47Å; Y134-P136 VanDerWaalsContact O-N 3.08Å
135E61Low76.7Confident178 Ų178108.1 Ų108.183%0.83256%0.562SS**  trans-57.3112.7-175.4-65.7-172.5130.400111.1
136P60.6Low76.4Confident67 Ų67109.6 Ų109.644%0.43557%0.569SS.*PPolyproline II helixtrans-76132.1-178.9-13.329.5000110.3Y134Y134-P136 WeakPolarHBondContact O-CD 3.47Å; Y134-P136 VanDerWaalsContact O-N 3.08Å
137D62.7Low76.3Confident146 Ų146109.6 Ų109.678%0.78157%0.569SS**PPolyproline II helixtrans-65.7147.4172.3-122.1-37.4000111
138K66.1Low76.2Confident181 Ų181110.4 Ų110.479%0.78757%0.574SS**THydrogen-bonded Turntrans-63.4143.9-147.4-71.5160.6-175.81620115.1Q140K138-Q140 VanDerWaalsContact C-N 3.27Å; K138-Q140 PolarHBondContact O-N 3.15Å
139S65.8Low76.2Confident86 Ų86107 Ų10760%0.60156%0.563SS**THydrogen-bonded Turntrans59.5-54.4-178.355.40000117.2G141 Q142S139-G141 PolarHBondContact O-N 2.68Å; S139-Q142 VanDerWaalsContact O-CB 3.28Å; S139-Q142 WeakPolarHBondContact O-CB 3.49Å; S139-Q142 PolarHBondContact O-N 3.32Å
140Q64.1Low76.4Confident169 Ų169108.5 Ų108.579%0.7956%0.559SS**Hα-helixtrans-73.1-25.3-166.9-166.91713.300113.9K138 Q142K138-Q140 VanDerWaalsContact C-N 3.27Å; K138-Q140 PolarHBondContact O-N 3.15Å; Q140-Q142 VanDerWaalsContact C-N 3.3Å
141G70.1Confident76.8Confident27 Ų27104 Ų10428%0.27854%0.541SS..Hα-helixtrans-77.1-13.9170.900000114.3S139 Q145S139-G141 PolarHBondContact O-N 2.68Å; G141-Q145 WeakPolarHBondContact O-CB 3.35Å; G141-Q145 PolarHBondContact O-N 3.02Å
142Q78.4Confident77.3Confident127 Ų127102.4 Ų102.459%0.59353%0.533SS*.Hα-helixtrans-80.4-45.4-166-159.8164.8-6.500112.1S139 Q140 L144 Q145 E146S139-Q142 VanDerWaalsContact O-CB 3.28Å; S139-Q142 WeakPolarHBondContact O-CB 3.49Å; S139-Q142 PolarHBondContact O-N 3.32Å; Q140-Q142 VanDerWaalsContact C-N 3.3Å; Q142-L144 VanDerWaalsContact C-N 3.28Å; Q142-L144 PolarHBondContact O-N 3.1Å; Q142-Q145 PolarHBondContact O-N 2.98Å; Q142-Q145 VanDerWaalsContact O-N 3.14Å; Q142-E146 PolarHBondContact O-N 3.04Å
143D83.7Confident78.4Confident112 Ų112104.6 Ų104.660%0.59953%0.531SS*.Hα-helixtrans-58.5-40.2172.5-60.416000111.5E146 Q147D143-E146 PolarHBondContact O-N 3.21Å; D143-Q147 WeakPolarHBondContact O-CG 3.39Å; D143-Q147 PolarHBondContact O-N 3.36Å
144L83.4Confident79.8Confident100 Ų100103.1 Ų103.152%0.52452%0.515SS..Hα-helixtrans-66.5-38.3175.9-85.1162000112.2Q142 Q147 L148Q142-L144 VanDerWaalsContact C-N 3.28Å; Q142-L144 PolarHBondContact O-N 3.1Å; L144-Q147 PolarHBondContact O-N 3.48Å; L144-L148 WeakPolarHBondContact O-CB 3.41Å; L144-L148 WeakPolarHBondContact O-CG 3.31Å; L144-L148 PolarHBondContact O-N 2.91Å
145Q85.4Confident81.3Confident75 Ų7593.8 Ų93.835%0.3548%0.479SS..Hα-helixtrans-68.2-37.5175.5-169.2176.519.500111.6L131 G141 Q142 L148 A149L131-Q145 HydrophobicContact CD2-CG 4.03Å; G141-Q145 WeakPolarHBondContact O-CB 3.35Å; G141-Q145 PolarHBondContact O-N 3.02Å; Q142-Q145 PolarHBondContact O-N 2.98Å; Q142-Q145 VanDerWaalsContact O-N 3.14Å; Q145-L148 PolarHBondContact O-N 2.69Å; Q145-A149 WeakPolarHBondContact O-CB 3.4Å; Q145-A149 PolarHBondContact O-N 2.93Å
146E87.8Confident82.9Confident130 Ų13089.5 Ų89.561%0.60746%0.459SS*.Hα-helixtrans-67.1-41.3173.9-176158.8-151.600111.8Q142 D143 A149 E150Q142-E146 PolarHBondContact O-N 3.04Å; D143-E146 PolarHBondContact O-N 3.21Å; E146-A149 PolarHBondContact O-N 3.43Å; E146-E150 WeakPolarHBondContact O-CB 3.23Å; E146-E150 PolarHBondContact O-N 2.94Å
147Q90Very high84.6Confident127 Ų12790.2 Ų90.259%0.59346%0.456SS*.Hα-helixtrans-63.1-40.1173.2-73.7175.54.100112.8D143 L144 E150 G151D143-Q147 WeakPolarHBondContact O-CG 3.39Å; D143-Q147 PolarHBondContact O-N 3.36Å; L144-Q147 PolarHBondContact O-N 3.48Å; Q147-E150 PolarHBondContact O-N 2.7Å; Q147-G151 PolarHBondContact O-N 2.84Å
148L90.2Very high86.1Confident47 Ų4787 Ų8725%0.24644%0.439CS..Hα-helixtrans-66.1-39.5173.9-77.3166.8000112L127 L130 L131 L144 Q145 G151 C152L127-L148 HydrophobicContact CD2-CD2 3.84Å; L130-L148 HydrophobicContact CB-CD1 4.4Å; L130-L148 HydrophobicContact CB-CD2 4.17Å; L130-L148 HydrophobicContact CD1-CD2 4.2Å; L131-L148 HydrophobicContact CD2-CB 3.54Å; L131-L148 HydrophobicContact CG-CB 4.02Å; L144-L148 WeakPolarHBondContact O-CB 3.41Å; L144-L148 WeakPolarHBondContact O-CG 3.31Å; L144-L148 PolarHBondContact O-N 2.91Å; Q145-L148 PolarHBondContact O-N 2.69Å; L148-G151 PolarHBondContact O-N 3.27Å; L148-C152 PolarHBondContact O-N 3.39Å; L148-C152 PolarHBondContact O-SG 3.37Å
149A90.6Very high87.4Confident32 Ų3279.8 Ų79.826%0.26441%0.41SS..Hα-helixtrans-66-39.6174.600000111.9L131 Q145 E146 C152 R153L131-A149 HydrophobicContact CD1-CB 4.42Å; Q145-A149 WeakPolarHBondContact O-CB 3.4Å; Q145-A149 PolarHBondContact O-N 2.93Å; E146-A149 PolarHBondContact O-N 3.43Å; A149-C152 PolarHBondContact O-N 3.24Å; A149-R153 WeakPolarHBondContact O-CG 3.29Å; A149-R153 PolarHBondContact O-N 3.34Å
150E93.8Very high88.7Confident97 Ų9781.5 Ų81.545%0.45341%0.409SS..Hα-helixtrans-64.8-44172.4-173.9158.7-131.100112.1E146 Q147 C152 R153 L154E146-E150 WeakPolarHBondContact O-CB 3.23Å; E146-E150 PolarHBondContact O-N 2.94Å; Q147-E150 PolarHBondContact O-N 2.7Å; E150-C152 VanDerWaalsContact C-N 3.28Å; E150-C152 PolarHBondContact O-N 3.47Å; E150-R153 WeakPolarHBondContact O-CB 3.39Å; E150-R153 PolarHBondContact O-N 2.93Å; E150-R153 VanDerWaalsContact O-N 3.11Å; E150-R153 IonicContact OE1-NH2 2.73Å; E150-L154 HydrophobicContact CG-CD1 4.06Å; E150-L154 HydrophobicContact CG-CG 4.38Å; E150-L154 WeakPolarHBondContact O-CG 3.42Å; E150-L154 PolarHBondContact O-N 2.91Å
151G94.5Very high90Very high20 Ų2080.5 Ų80.521%0.20640%0.401CS..Hα-helixtrans-55.1-42.4172.200000112.6Q147 L148 L154 A155Q147-G151 PolarHBondContact O-N 2.84Å; L148-G151 PolarHBondContact O-N 3.27Å; G151-L154 PolarHBondContact O-N 3.41Å; G151-A155 WeakPolarHBondContact O-CB 3.46Å; G151-A155 PolarHBondContact O-N 2.9Å
152C92.9Very high91Very high11 Ų1181.1 Ų81.17%0.07440%0.398CS..Hα-helixtrans-62.9-46.2173.9-68.10000112.3Y124 L127 L131 L148 A149 E150 L154 A155 Q156Y124-C152 HydrophobicContact CD2-CB 4.31Å; Y124-C152 WeakPolarHBondContact CD2-O 3.47Å; Y124-C152 HydrophobicContact CE2-CB 4.2Å; L127-C152 VanDerWaalsContact C-SG 3.56Å; L127-C152 WeakPolarHBondContact CB-SG 3.41Å; L131-C152 HydrophobicContact CD1-CB 4.28Å; L131-C152 WeakPolarHBondContact CD1-SG 3.26Å; L148-C152 PolarHBondContact O-N 3.39Å; L148-C152 PolarHBondContact O-SG 3.37Å; A149-C152 PolarHBondContact O-N 3.24Å; E150-C152 VanDerWaalsContact C-N 3.28Å; E150-C152 PolarHBondContact O-N 3.47Å; C152-L154 VanDerWaalsContact C-N 3.29Å; C152-L154 PolarHBondContact O-N 2.88Å; C152-A155 PolarHBondContact O-N 3.28Å; C152-Q156 VanDerWaalsContact O-CB 3.32Å; C152-Q156 WeakPolarHBondContact O-CB 3.41Å; C152-Q156 PolarHBondContact O-N 3.09Å
153R95.1Very high91.5Very high138 Ų13877.5 Ų77.552%0.52139%0.387SS..Hα-helixtrans-58.2-43176.2-68.3-177.2-58.6-137.34.2111.2A149 E150 H157A149-R153 WeakPolarHBondContact O-CG 3.29Å; A149-R153 PolarHBondContact O-N 3.34Å; E150-R153 WeakPolarHBondContact O-CB 3.39Å; E150-R153 PolarHBondContact O-N 2.93Å; E150-R153 VanDerWaalsContact O-N 3.11Å; E150-R153 IonicContact OE1-NH2 2.73Å; R153-H157 VanDerWaalsContact O-CB 3.24Å; R153-H157 WeakPolarHBondContact O-CB 3.42Å; R153-H157 PolarHBondContact O-N 3.15Å
154L96.1Very high91.2Very high97 Ų9776.3 Ų76.351%0.50839%0.385SS..Hα-helixtrans-68.9-44.6179.5-68.6172.6000112.4E150 G151 C152 H157 L158E150-L154 HydrophobicContact CG-CD1 4.06Å; E150-L154 HydrophobicContact CG-CG 4.38Å; E150-L154 WeakPolarHBondContact O-CG 3.42Å; E150-L154 PolarHBondContact O-N 2.91Å; G151-L154 PolarHBondContact O-N 3.41Å; C152-L154 VanDerWaalsContact C-N 3.29Å; C152-L154 PolarHBondContact O-N 2.88Å; L154-H157 PolarHBondContact O-N 2.95Å; L154-L158 WeakPolarHBondContact O-CG 3.48Å; L154-L158 PolarHBondContact O-N 2.72Å
155A95.6Very high90.4Very high2 Ų279.8 Ų79.82%0.01740%0.399CS..Hα-helixtrans-63.6-42176.800000111.9L123 Y124 L127 G151 C152 H157 L158 V159L123-A155 HydrophobicContact CD2-CB 4.31Å; L123-A155 HydrophobicContact CG-CB 4.24Å; Y124-A155 HydrophobicContact CD2-CB 4.5Å; L127-A155 HydrophobicContact CD1-CB 4.4Å; G151-A155 WeakPolarHBondContact O-CB 3.46Å; G151-A155 PolarHBondContact O-N 2.9Å; C152-A155 PolarHBondContact O-N 3.28Å; A155-H157 PolarHBondContact O-N 2.71Å; A155-L158 WeakPolarHBondContact O-CB 3.36Å; A155-L158 PolarHBondContact O-N 2.89Å; A155-V159 WeakPolarHBondContact O-CG2 3.32Å; A155-V159 PolarHBondContact O-N 3.34Å
156Q94.1Very high88.9Confident89 Ų8982.6 Ų82.642%0.41642%0.416SS..Hα-helixtrans-63.5-41.7175.5-167.7172.919.500112.2Y124 C152 L158 V159 Q160Y124-Q156 HydrophobicContact CD2-CB 3.78Å; Y124-Q156 HydrophobicContact CD2-CG 4.49Å; Y124-Q156 HydrophobicContact CE2-CB 3.77Å; Y124-Q156 HydrophobicContact CE2-CG 4.17Å; C152-Q156 VanDerWaalsContact O-CB 3.32Å; C152-Q156 WeakPolarHBondContact O-CB 3.41Å; C152-Q156 PolarHBondContact O-N 3.09Å; Q156-L158 VanDerWaalsContact C-N 3.34Å; Q156-V159 PolarHBondContact O-N 2.95Å; Q156-Q160 WeakPolarHBondContact O-CG 3.3Å; Q156-Q160 PolarHBondContact O-N 3.29Å
157H95.2Very high86.7Confident81 Ų8182.3 Ų82.338%0.37542%0.419SS..Hα-helixtrans-67.2-31.5175.4173.4-126.9000112.6R153 L154 A155 Q160 K161R153-H157 VanDerWaalsContact O-CB 3.24Å; R153-H157 WeakPolarHBondContact O-CB 3.42Å; R153-H157 PolarHBondContact O-N 3.15Å; L154-H157 PolarHBondContact O-N 2.95Å; A155-H157 PolarHBondContact O-N 2.71Å; H157-Q160 PolarHBondContact O-N 2.91Å; H157-K161 VanDerWaalsContact NE2-CE 3.25Å; H157-K161 WeakPolarHBondContact NE2-CE 3.41Å; H157-K161 WeakPolarHBondContact O-CB 3.28Å; H157-K161 WeakPolarHBondContact O-CG 3.44Å; H157-K161 PolarHBondContact O-N 3.33Å
158L94.5Very high84.6Confident80 Ų8084.6 Ų84.642%0.41943%0.429SS..Hα-helixtrans-67.5-43.3169.5-74.8171.6000111.9L154 A155 Q156 Q160 K161 L162L154-L158 WeakPolarHBondContact O-CG 3.48Å; L154-L158 PolarHBondContact O-N 2.72Å; A155-L158 WeakPolarHBondContact O-CB 3.36Å; A155-L158 PolarHBondContact O-N 2.89Å; Q156-L158 VanDerWaalsContact C-N 3.34Å; L158-Q160 VanDerWaalsContact C-N 3.29Å; L158-Q160 PolarHBondContact O-N 3.42Å; L158-K161 PolarHBondContact O-N 2.86Å; L158-L162 WeakPolarHBondContact O-CB 3.38Å; L158-L162 VanDerWaalsContact O-CG 3.26Å; L158-L162 WeakPolarHBondContact O-CG 3.4Å; L158-L162 PolarHBondContact O-N 3.11Å
159V94.4Very high82.4Confident29 Ų2988.4 Ų88.418%0.17645%0.45CS..Hα-helixtrans-57.5-44.5172.9174.40000110.7R117 R121 A155 Q156 L162 S163R117-V159 HydrophobicContact CG-CG1 4.2Å; R121-V159 HydrophobicContact CB-CG2 4.11Å; A155-V159 WeakPolarHBondContact O-CG2 3.32Å; A155-V159 PolarHBondContact O-N 3.34Å; Q156-V159 PolarHBondContact O-N 2.95Å; V159-L162 PolarHBondContact O-N 3.14Å; V159-S163 PolarHBondContact O-N 3.23Å; V159-S163 PolarHBondContact O-OG 2.9Å
160Q92Very high80.4Confident122 Ų12295.8 Ų95.857%0.5748%0.479SS*.Hα-helixtrans-62.7-43.8176.5-72.3170.5-16.300112.8Q156 H157 L158 L162 S163Q156-Q160 WeakPolarHBondContact O-CG 3.3Å; Q156-Q160 PolarHBondContact O-N 3.29Å; H157-Q160 PolarHBondContact O-N 2.91Å; L158-Q160 VanDerWaalsContact C-N 3.29Å; L158-Q160 PolarHBondContact O-N 3.42Å; Q160-L162 VanDerWaalsContact C-N 3.3Å; Q160-L162 PolarHBondContact O-N 3.07Å; Q160-S163 WeakPolarHBondContact O-CB 3.41Å; Q160-S163 PolarHBondContact O-N 3.18Å
161K92.6Very high78.1Confident147 Ų14798.6 Ų98.664%0.63950%0.497SS*.Hα-helixtrans-72.9-17.2178.1-79.9-171.6163.4-173.10115.1H157 L158H157-K161 VanDerWaalsContact NE2-CE 3.25Å; H157-K161 WeakPolarHBondContact NE2-CE 3.41Å; H157-K161 WeakPolarHBondContact O-CB 3.28Å; H157-K161 WeakPolarHBondContact O-CG 3.44Å; H157-K161 PolarHBondContact O-N 3.33Å; L158-K161 PolarHBondContact O-N 2.86Å
162L91.4Very high76Confident41 Ų41106.3 Ų106.322%0.21553%0.528CS..Hα-helixtrans-103.2-6.1177.4-63.9173.2000112.5L113 R117 L158 V159 Q160L113-L162 HydrophobicContact CD2-CD2 3.73Å; R117-L162 HydrophobicContact CB-CB 3.83Å; R117-L162 HydrophobicContact CG-CB 4.18Å; R117-L162 PolarHBondContact NE-O 2.99Å; R117-L162 PolarHBondContact NH2-O 3.2Å; L158-L162 WeakPolarHBondContact O-CB 3.38Å; L158-L162 VanDerWaalsContact O-CG 3.26Å; L158-L162 WeakPolarHBondContact O-CG 3.4Å; L158-L162 PolarHBondContact O-N 3.11Å; V159-L162 PolarHBondContact O-N 3.14Å; Q160-L162 VanDerWaalsContact C-N 3.3Å; Q160-L162 PolarHBondContact O-N 3.07Å
163S88.3Confident73.5Confident50 Ų50113.1 Ų113.135%0.3556%0.564SS.*SBendtrans-58161.5160.2-73.70000110.8V159 Q160V159-S163 PolarHBondContact O-N 3.23Å; V159-S163 PolarHBondContact O-OG 2.9Å; Q160-S163 WeakPolarHBondContact O-CB 3.41Å; Q160-S163 PolarHBondContact O-N 3.18Å
164P76.8Confident71.2Confident87 Ų87112.8 Ų112.857%0.56558%0.577SS**PPolyproline II helixtrans-57.9146.7158.4-9.627.9000107.7N166P164-N166 PolarHBondContact O-N 3.49Å
165E67.5Low68.5Low173 Ų173116.6 Ų116.681%0.80859%0.592SS**PPolyproline II helixtrans-63.6135.8159.5-159.1128.9-147.800106.4D167E165-D167 PolarHBondContact O-N 3.2Å
166N52.9Low65.8Low135 Ų135122.9 Ų122.972%0.72263%0.63SS**  trans-81.469.6-177.2-114.665.4000108.5P164 E168P164-N166 PolarHBondContact O-N 3.49Å; N166-E168 PolarHBondContact O-N 2.78Å
167D41.4Very low63.3Low123 Ų123127.2 Ų127.266%0.65865%0.65SS**  trans-63.4108.1158.6-62.7-48.9000106.4E165 D169E165-D167 PolarHBondContact O-N 3.2Å; D167-D169 PolarHBondContact O-N 3.45Å
168E46Very low60.7Low175 Ų175132.6 Ų132.682%0.81868%0.675SS**  trans-77.755.6170.9-70.2-171.5165.900109.8N166N166-E168 PolarHBondContact O-N 2.78Å
169D45.4Very low58.1Low128 Ų128132.8 Ų132.868%0.68469%0.688SS**  trans-77.3121.9164.5-75.5-34.1000107.9D167 D171D167-D169 PolarHBondContact O-N 3.45Å; D169-D171 VanDerWaalsContact C-N 3.31Å; D169-D171 PolarHBondContact O-N 2.97Å
170E47.7Very low55.3Low187 Ų187140.9 Ų140.987%0.87472%0.724SS**  trans-76.177.2-176.9-68.7-172.9144.700111.6E172E170-E172 PolarHBondContact O-N 2.77Å
171D45.5Very low53.1Low155 Ų155145.1 Ų145.183%0.82974%0.741SS**  trans-65.877.3164.3-82.3-19.4000110.1D169 D173D169-D171 VanDerWaalsContact C-N 3.31Å; D169-D171 PolarHBondContact O-N 2.97Å; D171-D173 PolarHBondContact O-N 3.32Å
172E50.8Low50.4Low182 Ų182144.1 Ų144.185%0.8575%0.747SS**  trans-69.866.8166.6-88.5-144.8167.800111.4E170E170-E172 PolarHBondContact O-N 2.77Å
173D40.9Very low47.6Very low154 Ų154149.9 Ų149.982%0.82478%0.777SS**  trans-121.951.8168.8-115.8-28.1000110.8D171 Q175D171-D173 PolarHBondContact O-N 3.32Å; D173-Q175 PolarHBondContact O-N 2.94Å
174V46.2Very low44.8Very low131 Ų131155.2 Ų155.279%0.79480%0.796SS**  trans-73.994.2175-1800000110.7
175Q40.3Very low42.8Very low178 Ų178156.7 Ų156.783%0.83281%0.809SS**  -149.7135.7124.6-59.1-160.65.800107.2D173D173-Q175 PolarHBondContact O-N 2.94Å
176V38.4Very low41Very low133 Ų133154.2 Ų154.281%0.80681%0.81SS**  cis-142.7147.440166.70000111.1
177E41.6Very low40.2Very low181 Ų181152 Ų15285%0.84681%0.811SS**  trans-75.3133.7167.4-63.7-170.6134.900111.8
178E40.7Very low39.7Very low194 Ų194152.5 Ų152.591%0.90782%0.821SS**  trans168.8147.8137.6-91.4-159.3110.900109.3
179A39Very low39.2Very low83 Ų83155.8 Ų155.869%0.68683%0.826SS**  cis-166.394.6-23.400000110.5
180E36.9Very low38.5Very low199 Ų199158.3 Ų158.393%0.9383%0.834SS**  trans-14778.4167.4-149.7166.3-145.900113.5
181K43.7Very low37.5Very low211 Ų211157.7 Ų157.792%0.91783%0.833SS**  trans-13861170.1-89.6-168.5177.1173.60112.3
182V36.9Very low36.7Very low126 Ų126159.3 Ų159.376%0.76484%0.836SS**  trans-140.1117.2163.2-174.40000111
183L33.6Very low36Very low163 Ų163160.7 Ų160.785%0.85384%0.839SS**  trans15056.3157.4-85.5169.5000107.8
184E28.8Very low35.5Very low161 Ų161157.9 Ų157.975%0.75284%0.837SS**  72.7100.983.7-168.2164.8-146.200112.5S186E184-S186 PolarHBondContact O-N 2.87Å
185S35.4Very low34.8Very low118 Ų118160.3 Ų160.383%0.82584%0.839SS**  trans-69.7104.2-177.241.80000112.8A187S185-A187 PolarHBondContact O-N 3.48Å
186S29Very low34.5Very low121 Ų121160.2 Ų160.285%0.84684%0.839SS**  trans-86.484.5171.3-71.60000112.1E184E184-S186 PolarHBondContact O-N 2.87Å
187A35Very low34.5Very low90 Ų90163.9 Ų163.974%0.74484%0.844SS**  trans-98.4119.1172.900000111.6S185S185-A187 PolarHBondContact O-N 3.48Å
188P32.2Very low34Very low133 Ų133164 Ų16486%0.86484%0.844SS**  trans-86.6120.1173.328.1-22.7000111.1
189R35.5Very low33.5Very low244 Ų244161.2 Ų161.292%0.92184%0.841SS**  trans-122.1114.9171-129.2-168.5-172.7-157.54.7108.6
190E29.8Very low33.8Very low180 Ų180162 Ų16284%0.84184%0.838SS**  trans174.4160.6131.9-96.2-150.4128.100112.4
191M26.9Very low33.5Very low175 Ų175161.1 Ų161.186%0.86284%0.835SS**  trans65.1139.9-177.3-59.8-162.917600115.1
192Q29.8Very low32.9Very low189 Ų189158 Ų15888%0.88383%0.828SS**  cis-123.6176.29.4-68.4-179.5-4.600112.7
193K34.4Very low33.1Very low211 Ų211157.2 Ų157.292%0.91783%0.828SS**  trans-136.2108.8-178.8-173.8-172.5-176.9-173.30111.1
194A31.3Very low33.2Very low94 Ų94157.2 Ų157.278%0.77783%0.828SS**  trans-154.6115.2163.600000105.5
195E32.6Very low33.4Very low182 Ų182157.8 Ų157.885%0.8583%0.831SS**  79.8103.164.4-165.8163.5-118.400112.2
196E32Very low33.2Very low177 Ų177160.7 Ų160.783%0.82783%0.831SS**  trans34.8126.8164.2-62.5-171.3152.100121.7
197K38.7Very low33.4Very low209 Ų209160 Ų16091%0.90983%0.825SS**  -156.2147.5103.3-108.8164.8-170.5176.80114.3
198E32.5Very low33.2Very low183 Ų183160 Ų16086%0.85583%0.825SS**  trans-70.8148.6168.2-57.5169.2103.500111.4
199V29.6Very low33.2Very low137 Ų137160.8 Ų160.883%0.8382%0.82SS**  -165137.9110.6144.10000108
200P45.3Very low32.9Very low98 Ų98154.8 Ų154.864%0.63681%0.811SS**  trans-95.8-166.1-176.740.3-37.8000113
201E31.3Very low33.2Very low182 Ų182156.3 Ų156.385%0.8581%0.811SS**  trans78.5137.6179-59.6167.2-178.900112.8
202D30.1Very low33.3Very low145 Ų145153.8 Ų153.878%0.77581%0.81SS**  cis-148.916927.5-146.2-17.5000115.1
203S41.5Very low33.5Very low110 Ų110152.5 Ų152.577%0.76981%0.809SS**  trans66.5120.7164.9540000121.7
204L35.6Very low33.6Very low163 Ų163148.1 Ų148.185%0.85381%0.805SS**  trans-94.3159.5160.4-66.9161.8000110.7
205E33Very low34Very low173 Ų173153.3 Ų153.381%0.80881%0.813SS**  trans166.1116.4140.5-144.980173.100104.6
206E31.7Very low33.9Very low178 Ų178148.2 Ų148.283%0.83281%0.809SS**  cis67.4150.243.9-138.2-178.4154.300115.5
207C33.3Very low34.1Very low107 Ų107144.9 Ų144.972%0.72381%0.805SS**  trans64.6109.2-176.7-56.50000115.6
208A30.4Very low33.6Very low89 Ų89145 Ų14574%0.73680%0.801SS**  cis86130.528.200000117
209I31.3Very low33.5Very low150 Ų150142.4 Ų142.477%0.76979%0.793SS**  trans88.4109144.7-72.9165.4000121
210T31Very low33.7Very low118 Ų118139.4 Ų139.472%0.72478%0.779SS**  trans78135.9143.554.10000125.4
211Y34.2Very low33Very low213 Ų213142 Ų14284%0.83579%0.787SS**  trans13.3137.8136-78.2-96.2000120.9
212S29.6Very low33.4Very low121 Ų121140.2 Ų140.285%0.84678%0.779SS**  -159.9143.5125.6-85.50000113.3
213N33.9Very low33.9Very low162 Ų162139.4 Ų139.487%0.86678%0.781SS**  trans-84.7152.6163.2-83.4-28.9000110.1
214S35.9Very low33.5Very low119 Ų119141.6 Ų141.683%0.83278%0.779SS**  trans-146.3114.7161.164.40000111.7
215H40.1Very low33.2Very low204 Ų204146 Ų14694%0.94478%0.784SS**  trans-87.3141.6166.2-98.9-72.8000111.1
216G30.3Very low33Very low74 Ų74147.2 Ų147.276%0.76379%0.787SS**  trans-147.2157.8167.200000109
217S36.9Very low32.9Very low107 Ų107145.6 Ų145.675%0.74879%0.789SS**  trans-139.2168.9-162.6-167.80000114.4
218Y29Very low32.7Very low212 Ų212148.3 Ų148.383%0.83179%0.789SS**  trans72.6145.8179.5-71-102.7000117.5
219D29.2Very low32.8Very low128 Ų128151.5 Ų151.568%0.68479%0.792SS**  cis-169.5163.2-23.8-179.739.4000110.8
220S33.6Very low32.8Very low75 Ų75148 Ų14852%0.52478%0.778SS.*  trans80116.9147-950000123
221N32.3Very low32.8Very low151 Ų151152.3 Ų152.381%0.80779%0.787SS**  trans84.9130141.2-60.8-49.9000122.4
222Q39.1Very low32.7Very low146 Ų146149.5 Ų149.568%0.68278%0.782SS**  trans-75.4172.1162.6-63-170.72.700111.9H224Q222-H224 PolarHBondContact OE1-CE1 3.42Å; Q222-H224 PolarHBondContact OE1-ND1 3.1Å
223P40.4Very low32.9Very low128 Ų128153.1 Ų153.183%0.83179%0.785SS**  -138150.910937.8-28.6000115.3
224H33.1Very low32.8Very low156 Ų156153 Ų15372%0.72278%0.784SS**  trans-71.7149.4169.9-49.7-59.8000113Q222Q222-H224 PolarHBondContact OE1-CE1 3.42Å; Q222-H224 PolarHBondContact OE1-ND1 3.1Å
225R29.7Very low32.9Very low254 Ų254154.8 Ų154.896%0.95878%0.777SS**  -166.6161127.8-106.7161.8-171.3-1590.8113.1
226K28.2Very low32.6Very low200 Ų200152 Ų15287%0.8777%0.774SS**  trans-94.4158.3-172.5-54.9170.5178.4179.60111.3
227T29.3Very low32.7Very low143 Ų143154.2 Ų154.288%0.87777%0.769SS**  -175.7132.1123.2-74.10000114.2
228K29.6Very low32.8Very low164 Ų164154.4 Ų154.471%0.71377%0.77SS**  trans-39150.3167.5174.1-174.9-179.6-177.70119.3T230K228-T230 HydrophobicContact CD-CG2 4.33Å; K228-T230 HydrophobicContact CG-CG2 4.05Å
229I31.9Very low32.6Very low156 Ų156151.4 Ų151.480%0.877%0.774SS**  trans-174.499.6139.1-94.2148.7000106.4
230T31.5Very low32.8Very low78 Ų78152.5 Ų152.548%0.47978%0.779SS.*  63.4120.884.857.70000116.5K228K228-T230 HydrophobicContact CD-CG2 4.33Å; K228-T230 HydrophobicContact CG-CG2 4.05Å
231F30.5Very low32.7Very low207 Ų207156.5 Ų156.591%0.90879%0.793SS**  trans-136.9151.9144.4-142.8-90.2000109
232E31.7Very low32.4Very low155 Ų155152.3 Ų152.372%0.72479%0.785SS**  trans-99.9150.7-163.9-124.580.5145.500112.8
233E35.6Very low32Very low196 Ų196151.7 Ų151.792%0.91680%0.797SS**  trans-112.9120.3166.4-175.9173.8-143.600108
234D31.6Very low31.6Very low160 Ų160151.9 Ų151.986%0.85680%0.801SS**  trans-119.7155.6-179-167.420000111.3
235K36.9Very low31.7Very low156 Ų156149.6 Ų149.668%0.67880%0.803SS**  trans-126.7129.4-150.4-176.3-165.8175.6-157.40111.9D237K235-D237 IonicContact NZ-OD2 3.67Å
236V35.2Very low31.6Very low146 Ų146144.1 Ų144.189%0.88579%0.788SS**  trans-136.4136.1172.2-86.70000112.1
237D31.7Very low31.7Very low121 Ų121141 Ų14165%0.64779%0.785SS**  trans-102.3141.1-170.9-79.8-69.9000113.4K235K235-D237 IonicContact NZ-OD2 3.67Å
238S38Very low32Very low110 Ų110139.8 Ų139.877%0.76977%0.769SS**  trans33.1129141.4-55.40000122.1
239T26.6Very low32Very low149 Ų149144.2 Ų144.291%0.91478%0.782SS**  trans-145.7153.8148.3-64.70000110.8
240L32.2Very low31.9Very low152 Ų152145 Ų14580%0.79678%0.782SS**  trans-96.8174.9-165.1-166.174.1000113.7
241I31.3Very low31.9Very low159 Ų159149.2 Ų149.282%0.81580%0.801SS**  trans91.7132.4163.8-50.4159.3000114.2
242G26.7Very low31.8Very low62 Ų62142.8 Ų142.864%0.63979%0.787SS**  cis160.8167.3-8.400000114.3
243S31.2Very low31.8Very low134 Ų134141.9 Ų141.994%0.93779%0.792SS**  trans71.3133.6167.5-55.80000120
244S31.3Very low31.6Very low131 Ų131140.5 Ų140.592%0.91679%0.785SS**  trans-141.2148.7158.4-178.70000108.4
245S34.2Very low31.6Very low108 Ų108139.5 Ų139.576%0.75578%0.778SS**  trans-140.8110.4-16559.80000115.1
246H29.4Very low31.7Very low140 Ų140139.4 Ų139.465%0.64878%0.783SS**  45.4119.2127.9-174.1-78.7000121.3E248H246-E248 IonicContact CE1-OE1 3.94Å; H246-E248 IonicContact CE1-OE2 3.99Å; H246-E248 PolarHBondContact CE1-OE2 3.37Å; H246-E248 IonicContact ND1-OE2 3.91Å; H246-E248 IonicContact NE2-OE1 3.16Å; H246-E248 IonicContact NE2-OE2 3.65Å
247V29.9Very low32.1Very low134 Ų134137.7 Ų137.781%0.81278%0.775SS**  trans-140.4140.4137.7174.60000107.5
248E34.8Very low32Very low117 Ų117140 Ų14055%0.54778%0.782SS.*  trans-74.6170.6178.5-52.9101.8136.200114H246H246-E248 IonicContact CE1-OE1 3.94Å; H246-E248 IonicContact CE1-OE2 3.99Å; H246-E248 PolarHBondContact CE1-OE2 3.37Å; H246-E248 IonicContact ND1-OE2 3.91Å; H246-E248 IonicContact NE2-OE1 3.16Å; H246-E248 IonicContact NE2-OE2 3.65Å
249W29.9Very low31.6Very low258 Ų258142.1 Ų142.198%0.97779%0.785SS**  -148.3144.2109.7-105.931.9000108.9
250E30.6Very low31.7Very low173 Ų173143.3 Ų143.381%0.80878%0.78SS**  trans-111-166.6-176.5-61.4-167.3123.100111.9
251D29.5Very low31.7Very low165 Ų165140.6 Ų140.688%0.88277%0.774SS**  trans84.5125.8165-141.545.7000116.1
252A28.4Very low31.8Very low72 Ų72140 Ų14060%0.59577%0.772SS**  cis-146159.2-0.900000111.9
253V33Very low32.1Very low137 Ų137144 Ų14483%0.8378%0.779SS**  trans-116.5131166.5173.90000109.4
254H31Very low32.6Very low167 Ų167146.3 Ų146.377%0.77378%0.775SS**  trans-133.298.5167.8-92-53.3000113.7
255I31.2Very low32.9Very low139 Ų139148.2 Ų148.271%0.71377%0.769SS**  trans59.6112.3131.2-58.7172.8000118
256I40.3Very low33.2Very low153 Ų153151.6 Ų151.679%0.78577%0.773SS**  trans-78.8155.2154.9-25.8177.9000108.9
257P43.3Very low33.4Very low111 Ų111151.6 Ų151.672%0.72177%0.774SS**  -140.8169.910938.4-26.5000114.9
258E29.8Very low33.5Very low170 Ų170152.1 Ų152.179%0.79477%0.767SS**  trans-77.4169.8-180-58.1133.5125.100113.8
259N28.6Very low33.4Very low153 Ų153153.8 Ų153.882%0.81877%0.773SS**  trans-179.7131.1145.7-80.5-29.2000105.6
260E29.8Very low33.3Very low174 Ų174144.7 Ų144.781%0.81376%0.759SS**  cis109.2143.432.2-171173-111.700111.2
261S31.3Very low33.9Very low96 Ų96142.4 Ų142.467%0.67176%0.76SS**  trans76.6110.2174.160.60000121.5
262D33.3Very low33.8Very low147 Ų147140.5 Ų140.579%0.78675%0.753SS**  63.3129.1113.9-49.6-6.8000123.9
263D34.1Very low34.3Very low146 Ų146142.6 Ų142.678%0.78176%0.764SS**  29.8136.1129-54.6-16.6000122.3
264E40.4Very low34.7Very low181 Ų181140.6 Ų140.685%0.84675%0.753SS**  -169162.9102.7-98.3-68.6-166.800112
265E38.1Very low34.7Very low171 Ų171144 Ų14480%0.79976%0.76SS**  trans-81.1172.8171.8-62.2-170.9149.800112.5
266E40.3Very low34.8Very low180 Ų180144.7 Ų144.784%0.84177%0.765SS**  trans-162.3154.1132.6-105.9-66.3-174.700110.6
267E33.6Very low34.4Very low140 Ų140144.6 Ų144.665%0.65477%0.765SS**  trans-80.2-171.1173.6-74.9-149.4155.400110K269E267-K269 IonicContact OE2-NZ 2.79Å; E267-K269 PolarHBondContact OE2-NZ 2.93Å
268E33.1Very low33.7Very low144 Ų144146.1 Ų146.167%0.67376%0.762SS**  cis-154.7153.127.5-102-154.1119.400112.3
269K31.5Very low33.7Very low152 Ų152145.9 Ų145.966%0.66176%0.761SS**  trans39.7130.5136.3-41.3-83.2147.434.30116.8E267E267-K269 IonicContact OE2-NZ 2.79Å; E267-K269 PolarHBondContact OE2-NZ 2.93Å
270G28.9Very low33.9Very low68 Ų68142.8 Ų142.870%0.70175%0.751SS**  cis156.3-177.338.900000111.4
271P42.7Very low33.9Very low125 Ų125142.3 Ų142.381%0.81275%0.749SS**  trans-126.9-164.4-134.236.6-20.1000115.2
272V27.4Very low33.8Very low124 Ų124146.3 Ų146.375%0.75276%0.757SS**  trans107.2113159.3-173.70000116.1P274V272-P274 HydrophobicContact CG1-CG 4.1Å
273S39.1Very low33.7Very low116 Ų116147.8 Ų147.881%0.81176%0.76SS**  trans-117.4143.6148.7166.40000107.9
274P41.6Very low33.6Very low95 Ų95147 Ų14762%0.61775%0.751SS**  trans-144.7123.3155.432.4-12.2000116.1V272V272-P274 HydrophobicContact CG1-CG 4.1Å
275R29.6Very low33.2Very low240 Ų240144 Ų14491%0.90675%0.745SS**  trans71144.5130.8-64.5-178.3169.7-176.9-4.5122.1
276N34.2Very low33.1Very low153 Ų153141 Ų14182%0.81874%0.741SS**  trans-73.3162.4157.2-62.3-70.6000112
277L32.5Very low32.6Very low150 Ų150140.9 Ų140.979%0.78574%0.74SS**  -179.4120.9126.5-97.4165.8000113.4
278Q28.3Very low32.4Very low144 Ų144143.3 Ų143.367%0.67375%0.751SS**  73143.6128.3-165.6160.8-24.800123
279E29.5Very low32.3Very low164 Ų164141.9 Ų141.977%0.76676%0.757SS**  trans63.7144.3167.3-79.3150-146.400117.8
280S32.1Very low32.3Very low88 Ų88146.2 Ų146.262%0.61577%0.769SS**  cis-147.6-160.3-2.454.80000109.5
281E30.2Very low32.2Very low164 Ų164150.5 Ų150.577%0.76678%0.777SS**  cis-156.6-138.711.2-15380.1-98.800110.4
282E28.7Very low31.9Very low180 Ų180151.8 Ų151.884%0.84177%0.771SS**  trans-85.3-178.4176.2-61163.414200112.1
283E31.5Very low31.9Very low179 Ų179149.3 Ų149.384%0.83677%0.772SS**  cis-148.9-171.113.7-145-175.5175.400106.5
284E32.8Very low31.5Very low130 Ų130153.8 Ų153.861%0.60777%0.772SS**  cis-157.8165.74.8-174.1-114.3-125.500108.1P286E284-P286 WeakPolarHBondContact OE2-CD 3.4Å; E284-P286 WeakPolarHBondContact OE2-CG 3.48Å
285V31.3Very low31.2Very low118 Ų118155.2 Ų155.272%0.71578%0.784SS**  trans-143.1129.9167172.60000111
286P37.2Very low31.2Very low108 Ų108149.7 Ų149.770%0.70178%0.778SS**  trans-82.5123.5165.3-11.430.3000110.9E284E284-P286 WeakPolarHBondContact OE2-CD 3.4Å; E284-P286 WeakPolarHBondContact OE2-CG 3.48Å
287Q29.7Very low30.8Very low176 Ų176150 Ų15082%0.82278%0.778SS**  trans-89.5-170.8170-63.1-166.4-91.300111.8
288E29.6Very low30.7Very low192 Ų192147.6 Ų147.690%0.89777%0.774SS**  trans81.5143.6170.5-51.9-172.5177.400115.8
289S31Very low31Very low114 Ų114148 Ų14880%0.79778%0.779SS**  cis-130.2145.810.448.70000113
290W31.5Very low31Very low242 Ų242145.7 Ų145.792%0.91778%0.778SS**  trans-88154.1158-70.782.6000109.1
291D26.1Very low31.1Very low159 Ų159146.3 Ų146.385%0.8578%0.78SS**  trans-140.4136.5153.5-161.44.7000110.2
292E36.2Very low31.1Very low151 Ų151147 Ų14771%0.70678%0.784SS**  trans-127.779.3-169.1176.185.4-129.100108.1
293G28.1Very low31.1Very low73 Ų73146.1 Ų146.175%0.75378%0.781SS**  trans-102.292.9-169.300000114.8S295G293-S295 PolarHBondContact O-N 3.3Å
294Y31Very low31.2Very low209 Ų209146.3 Ų146.382%0.8279%0.787SS**  trans-63.6126.9167.7-87.7-108.8000111.7
295S35.3Very low30.9Very low126 Ų126143.9 Ų143.988%0.88179%0.79SS**  trans-154.7121.2155.2-87.50000113.4G293G293-S295 PolarHBondContact O-N 3.3Å
296T28.2Very low30.7Very low124 Ų124143.7 Ų143.776%0.76179%0.793SS**  trans-88.5166.4171.8-4.10000111.3
297L25.8Very low30.3Very low159 Ų159149 Ų14983%0.83280%0.801SS**  trans69.5138.5170.3-95.471.9000114.8
298S30.3Very low30.2Very low100 Ų100149.2 Ų149.270%0.69980%0.802SS**  cis-151.1162.920.4-61.30000113.1
299I34.3Very low30.1Very low151 Ų151144.5 Ų144.577%0.77479%0.79SS**  trans-84.5132.2163.3-63.1164.4000109.5
300P30.1Very low29.9Very low116 Ų116150 Ų15075%0.75380%0.795SS**  trans-88.2118.8154.632.2-26.4000110
301P34.9Very low29.7Very low101 Ų101143 Ų14366%0.65678%0.783SS**  trans-81.1178.317035.6-35.3000111.3
302E29Very low29.8Very low180 Ų180139.9 Ų139.984%0.84177%0.774SS**  trans73.8141.6-179.2-51.6176.2-166.500113.4
303M29.2Very low29.5Very low160 Ų160137 Ų13779%0.78877%0.766SS**  cis-139.3118.318.9-170.3-178.8-59.400112.1
304L33.6Very low29.5Very low183 Ų183143.2 Ų143.296%0.95877%0.773SS**  trans-89.9111.5166.3-80.3171000109.6
305A26.6Very low29.3Very low80 Ų80141.2 Ų141.266%0.66177%0.771SS**  trans-159148.416700000111.4
306S27.9Very low29Very low113 Ų113140.5 Ų140.579%0.7977%0.766SS**SBendtrans69.3119178.4-150.40000114.9
307Y27.8Very low29Very low219 Ų219142.8 Ų142.886%0.85977%0.773SS**  cis-149.3136.8-0.1-149.5-106.3000110.1
308Q27.9Very low29.3Very low181 Ų181143.1 Ų143.185%0.84677%0.77SS**  trans-103.7177.5171.6-88.5-168.6-12.500110.9
309S28.3Very low29.5Very low93 Ų93146.8 Ų146.865%0.6578%0.776SS**  trans89.3130.1178.5-148.60000112.9
310Y27.1Very low29.4Very low230 Ų230148 Ų14890%0.90278%0.778SS**  cis-104.2132.230.2-93.2-108.8000117.3
311S26.9Very low29.5Very low95 Ų95151 Ų15166%0.66478%0.782SS**  trans-77.3166.1143.854.50000108.9
312S27.9Very low29.1Very low94 Ų94150.9 Ų150.966%0.65778%0.779SS**  -178.6171.751.3-168.40000106
313T30.5Very low29Very low89 Ų89147.5 Ų147.555%0.54678%0.775SS.*  cis-154.6141.815.5-32.10000105.3
314F26.4Very low29.2Very low205 Ų205148.4 Ų148.490%0.89978%0.779SS**  -159.5164.381.1-91.8-81.4000111.5
315H26.5Very low29.4Very low166 Ų166143.6 Ų143.677%0.76977%0.766SS**  trans-96.5140.5-163.9-69.1-90.6000115.3
316S29.8Very low29.5Very low111 Ų111146.9 Ų146.978%0.77678%0.777SS**  trans42.5111.7132.9-149.60000119.2
317L28.3Very low29.7Very low172 Ų172148 Ų14890%0.90178%0.775SS**  trans-132.3124.1141.9-174.158.1000108.7
318E32.8Very low29.8Very low167 Ų167146.2 Ų146.278%0.7878%0.778SS**  trans-86.2162.4170.3-169167.9-175.400108.9
319E34.1Very low29.7Very low177 Ų177140.5 Ų140.583%0.82777%0.768SS**  trans64.5102.3-173.9-53.8-167.4114.800117.1
320Q31.4Very low29.8Very low175 Ų175148.3 Ų148.382%0.81878%0.783SS**  -162.4100.1110.1-113-178.8-3.400112.9V322Q320-V322 HydrophobicContact CB-CG2 4.17Å; Q320-V322 HydrophobicContact CG-CG2 4.29Å; Q320-V322 PolarHBondContact O-N 2.99Å
321Q32.6Very low29.9Very low180 Ų180145.7 Ų145.784%0.84178%0.779SS**  trans-78.4103.6154.9-70.5-175.87.800108.2C323Q321-C323 PolarHBondContact O-N 2.69Å
322V26.4Very low30Very low98 Ų98151.1 Ų151.159%0.59479%0.785SS**  trans-85.369.9175.5-173.90000110.1Q320 M324Q320-V322 HydrophobicContact CB-CG2 4.17Å; Q320-V322 HydrophobicContact CG-CG2 4.29Å; Q320-V322 PolarHBondContact O-N 2.99Å; V322-M324 HydrophobicContact CG1-CG 3.88Å; V322-M324 PolarHBondContact O-N 2.97Å
323C27.5Very low29.9Very low110 Ų110158.8 Ų158.874%0.74380%0.799SS**  trans-80.888162.9-71.10000109Q321 A325Q321-C323 PolarHBondContact O-N 2.69Å; C323-A325 PolarHBondContact O-N 2.92Å
324M33Very low29.9Very low178 Ų178160 Ų16088%0.87780%0.803SS**  trans-81.4100.5169.1-71.3-159.4-59.400110.4V322V322-M324 HydrophobicContact CG1-CG 3.88Å; V322-M324 PolarHBondContact O-N 2.97Å
325A36.9Very low30Very low83 Ų83158 Ų15869%0.68680%0.796SS**  trans-97.9147.5167.600000110.7C323C323-A325 PolarHBondContact O-N 2.92Å
326V29.3Very low30.1Very low148 Ų148157 Ų15790%0.89780%0.801SS**  trans-135.1106.2160.81790000107.6
327D32.5Very low30.2Very low137 Ų137159.5 Ų159.573%0.73380%0.798SS**  trans-77.1159171.9-73.8-78.4000112.1
328I29.9Very low30.6Very low181 Ų181159.2 Ų159.293%0.92879%0.789SS**  trans179.9125.2132.8-90.8149.2000107.2
329G25.8Very low30.5Very low62 Ų62158.3 Ų158.364%0.63979%0.785SS**  cis-168.1151.3-8.200000111.9
330R30.4Very low30.4Very low257 Ų257156.1 Ų156.197%0.9778%0.779SS**  trans-74.9146.1173.7-64.4176.9-178.7-100.80.8110.6
331H29.4Very low30.4Very low175 Ų175156.4 Ų156.481%0.8178%0.781SS**  trans-122.2122.5160.261.1-91.1000111.4
332R27.9Very low30.3Very low208 Ų208156.6 Ų156.679%0.78578%0.781SS**  trans42.7122.7161.9-57.3-175-172.2-74.3-5.9119.8D334R332-D334 WeakPolarHBondContact CD-OD2 3.48Å; R332-D334 IonicContact NH1-OD2 3.88Å; R332-D334 PolarHBondContact NH1-OD2 3.4Å; R332-D334 VanDerWaalsContact NH1-OD2 3.16Å
333W26.2Very low30.4Very low255 Ų255156.2 Ų156.297%0.96679%0.789SS**  trans-127.480.1151.1-139.170.2000108.3Q335W333-Q335 PolarHBondContact O-N 2.98Å
334D30.2Very low30.4Very low115 Ų115157.5 Ų157.562%0.61579%0.794SS**  trans-95.779.4-173.6-74.7-43.7000111.4R332R332-D334 WeakPolarHBondContact CD-OD2 3.48Å; R332-D334 IonicContact NH1-OD2 3.88Å; R332-D334 PolarHBondContact NH1-OD2 3.4Å; R332-D334 VanDerWaalsContact NH1-OD2 3.16Å
335Q29.3Very low30.3Very low163 Ų163152.4 Ų152.476%0.76279%0.786SS**  trans13.1113.2144.5-172.5178.6117.100118.8W333W333-Q335 PolarHBondContact O-N 2.98Å
336V28.4Very low30.1Very low144 Ų144154.6 Ų154.687%0.87379%0.794SS**  trans-125.9143155.4177.70000109.4
337K33.1Very low30.3Very low165 Ų165159.1 Ų159.172%0.71780%0.795SS**  trans-100.4150-179-68.7176.6175.3176.10111.6
338K35.1Very low30.1Very low165 Ų165160.3 Ų160.372%0.71780%0.8SS**  trans62.7170.4157.8-78.9169141.4-79.60113.3
339E30.6Very low30.2Very low148 Ų148156.4 Ų156.469%0.69279%0.789SS**  cis-138.3-159.510.7-150.9124.7-124.200111
340D32.3Very low30.5Very low132 Ų132163 Ų16371%0.70679%0.794SS**  trans-83-169.6-167.6-55.3-82.6000115.6
341Q32.2Very low30.4Very low180 Ų180157 Ų15784%0.84178%0.777SS**  trans88.3111.1173.2-61.3159.58.900115
342E29.1Very low30.4Very low184 Ų184155.4 Ų155.486%0.8677%0.774SS**  87.397.755.6-175.7-180-152.800112.7
343A29.6Very low30.5Very low91 Ų91152.7 Ų152.775%0.75277%0.774SS**  trans-164.7109.7150.600000111.9
344T28.2Very low30.7Very low137 Ų137147.2 Ų147.284%0.8476%0.764SS**  trans37.2100.8135.5-45.30000119.4
345G29.3Very low30.8Very low70 Ų70149 Ų14972%0.72277%0.768SS**  trans-97.7159137.700000110.1
346P33.7Very low30.9Very low130 Ų130148.6 Ų148.684%0.84476%0.764SS**  trans-109.5120.9161.432.2-22.4000111.6
347R33.1Very low31.2Very low242 Ų242150 Ų15091%0.91376%0.761SS**  trans-95137.7160.9-75.3179.7169-169.7-3.3109.4
348L28.6Very low31.5Very low162 Ų162147.8 Ų147.885%0.84876%0.764SS**  trans-144.8118.8148-69-179.4000105
349S32.2Very low31.4Very low99 Ų99148 Ų14869%0.69277%0.768SS**  72.6138.962.386.50000112
350R31.9Very low31.4Very low201 Ų201147.9 Ų147.976%0.75878%0.777SS**  cis-173156.811.4116.1-165.4-157.1162.119.6112.4
351E28.9Very low31.3Very low131 Ų131149.1 Ų149.161%0.61278%0.783SS**  trans55.3131.1154.5-78.6176.2154.500124.8
352L28Very low31.3Very low142 Ų142149.3 Ų149.374%0.74378%0.783SS**  88.8133129.3-73.2167.8000124.4
353L31.6Very low31.2Very low150 Ų150147.3 Ų147.379%0.78578%0.778SS**  trans87.3145.4140.9-83.9164.1000122.6
354D30.2Very low31.3Very low140 Ų140148.6 Ų148.675%0.74978%0.782SS**  trans-66.1148.7173.6-53.7-88.7000113.1
355E30.7Very low31.4Very low152 Ų152149.3 Ų149.371%0.7178%0.78SS**  -172.6153.4108-104.6-156.9152.900113.1
356K31.5Very low31.5Very low155 Ų155152.2 Ų152.267%0.67478%0.779SS**  trans55.9107.5151.3-68.4-177.7176.777.20120.3
357E34.4Very low31.2Very low173 Ų173155.2 Ų155.281%0.80877%0.773SS**  trans-56.4149.4134.5-178.7173.3-116.200111.1
358P40.3Very low30.9Very low119 Ų119148 Ų14877%0.77376%0.759SS**  -138.5145.5126.537.2-27000114.1
359E33.2Very low30.8Very low170 Ų170150.5 Ų150.579%0.79476%0.759SS**  trans-67.5154.4162-53.5173.7114.700111.5
360V30.9Very low30.7Very low146 Ų146151.5 Ų151.589%0.88577%0.766SS**  -175.3156.5128.1141.60000110.7
361L30.1Very low30.5Very low158 Ų158148.4 Ų148.483%0.82777%0.769SS**  trans-92-180-163.1-64164.4000115.2
362Q30.8Very low30.6Very low183 Ų183148 Ų14886%0.85578%0.778SS**  trans101.5104.1161.5-58.7178.4-6.500114.7
363D28.2Very low30.5Very low142 Ų142146.8 Ų146.876%0.75978%0.781SS**  cis85.7119.641.7-169.134.4000113.7
364S31.6Very low30.4Very low119 Ų119143.2 Ų143.283%0.83278%0.781SS**  trans-158.612516655.80000111.3
365L31.2Very low30.2Very low151 Ų151147.1 Ų147.179%0.79179%0.787SS**  trans-91.6130.6179.7-75.7156.4000111.8
366D29.4Very low30.1Very low131 Ų131146.7 Ų146.770%0.70179%0.789SS**  -173162.8120.8-114.89.5000109
367R29.3Very low30.1Very low194 Ų194147.3 Ų147.373%0.73279%0.794SS**  cis163152.9-32.2-172.9-156.2-62.7-111.9-8.7105.9
368C26.4Very low29.8Very low90 Ų90147 Ų14761%0.60880%0.797SS**  trans73.6104163.9-72.50000119.3
369Y26.6Very low29.6Very low214 Ų214147.2 Ų147.284%0.83980%0.799SS**  39.6128.3126.7-53.9-71.8000121.7
370S30.3Very low29.3Very low121 Ų121146.4 Ų146.485%0.84680%0.8SS**  -155.6127.7127.8-83.20000111.3
371T27.5Very low29.3Very low136 Ų136147.6 Ų147.683%0.83480%0.8SS**PPolyproline II helixtrans-98.7125.7168.6-58.90000108.8
372P29.4Very low29.2Very low121 Ų121143.2 Ų143.279%0.78679%0.793SS**PPolyproline II helixtrans-92.3129.8162.75.514.1000110
373S27.4Very low29.1Very low117 Ų117142.8 Ų142.882%0.81879%0.791SS**PPolyproline II helixtrans-83.2152.6170.550.20000111.7
374G29Very low29.5Very low76 Ų76141.3 Ų141.378%0.78479%0.79SS**  trans-138.9135.9172.400000109.8
375Y24.9Very low29.1Very low221 Ų221146.5 Ų146.587%0.86779%0.793SS**  trans-93.2175.1-178.2-102.3-107.3000112
376L30.2Very low28.9Very low143 Ų143144 Ų14475%0.74979%0.788SS**  trans78.2137.5-173.6-71.667.8000113.3
377E30.7Very low28.6Very low169 Ų169143.5 Ų143.579%0.7979%0.794SS**  cis-150.4145.11.1-134.1161.4-166.100111.4
378L29.1Very low28.4Very low166 Ų166138.6 Ų138.687%0.86980%0.795SS**  trans-112.7121.6173.8-78.4171.9000109.8D380L378-D380 PolarHBondContact O-N 3.49Å
379P35.3Very low28.6Very low124 Ų124140.3 Ų140.381%0.80580%0.803SS**  trans-85.293.916732.5-29.9000110
380D27.1Very low28.6Very low153 Ų153141.2 Ų141.282%0.81881%0.806SS**  trans-77.9128.2172.1-165.311000110.2L378L378-D380 PolarHBondContact O-N 3.49Å
381L30.8Very low28.7Very low170 Ų170140.9 Ų140.989%0.8980%0.804SS**  trans-153.7120.7177.2-128.3132.1000111.1
382G28.7Very low28.7Very low67 Ų67142.6 Ų142.669%0.69181%0.807SS**  trans-80.3150.4-155.900000117.3
383Q28.8Very low28.8Very low173 Ų173144.5 Ų144.581%0.80881%0.806SS**  trans-51.1143.5144.7-70.8-70.2-21.600109.3
384P35.3Very low29.2Very low112 Ų112146 Ų14673%0.72780%0.8SS**  -149.8149.965.938.7-20.1000117.4
385Y23.9Very low29.3Very low228 Ų228150.5 Ų150.589%0.89480%0.8SS**  trans-153.7158.1140.5-118.6-79.9000110.9
386S27.2Very low29.5Very low99 Ų99148.1 Ų148.169%0.69279%0.791SS**  trans-121.4166-176.461.40000113.4
387S23.4Very low29.4Very low119 Ų119148.8 Ų148.883%0.83280%0.795SS**  trans92.5156.316481.60000119.5
388A25.2Very low29.2Very low91 Ų91144.2 Ų144.275%0.75279%0.792SS**  trans7882.7168.200000119.5
389V30.1Very low29.4Very low127 Ų127143.7 Ų143.777%0.7779%0.79SS**  trans20.6126131.1-161.40000119
390Y26.6Very low29.1Very low232 Ų232142.5 Ų142.591%0.9179%0.791SS**  -160.5135.9126.5-109.1-72.1000110.7
391S31.1Very low29.5Very low114 Ų114142.8 Ų142.880%0.79779%0.791SS**  trans-71138172.5-50.60000110.2
392L29.4Very low29.3Very low173 Ų173142.5 Ų142.591%0.90679%0.791SS**  trans-105.5103.1169.9-173.265.6000109.3
393E30.7Very low29.7Very low160 Ų160144.5 Ų144.575%0.74879%0.789SS**  trans-62.1136.2176.6-172.4177.1-143.200111.5Q395E393-Q395 PolarHBondContact O-N 3.36Å
394E36.5Very low29.8Very low150 Ų150142.8 Ų142.870%0.70179%0.785SS**  trans-73.1119.1-177.9-68-164.9127.600111.9Y396E394-Y396 HydrophobicContact CB-CD2 4.2Å; E394-Y396 HydrophobicContact CB-CE2 4.5Å; E394-Y396 WeakPolarHBondContact OE1-CE2 3.26Å; E394-Y396 WeakPolarHBondContact OE2-CE2 3.33Å
395Q30Very low29.7Very low170 Ų170149.3 Ų149.379%0.79480%0.795SS**  trans-108.576.8168.4-66.3-166.75.400111E393 L397E393-Q395 PolarHBondContact O-N 3.36Å; Q395-L397 VanDerWaalsContact C-N 3.27Å; Q395-L397 PolarHBondContact O-N 2.98Å
396Y29Very low30.4Very low171 Ų171145.4 Ų145.467%0.67179%0.788SS**  trans-64.981.5168.9-89.4-78000111.5E394 G398E394-Y396 HydrophobicContact CB-CD2 4.2Å; E394-Y396 HydrophobicContact CB-CE2 4.5Å; E394-Y396 WeakPolarHBondContact OE1-CE2 3.26Å; E394-Y396 WeakPolarHBondContact OE2-CE2 3.33Å; Y396-G398 PolarHBondContact O-N 3.28Å; Y396-G398 VanDerWaalsContact O-N 3.07Å
397L28.7Very low31Very low157 Ų157148.7 Ų148.782%0.82279%0.791SS**  trans-78.992.3175.1-165.672.3000110.6Q395 L399Q395-L397 VanDerWaalsContact C-N 3.27Å; Q395-L397 PolarHBondContact O-N 2.98Å; L397-L399 PolarHBondContact O-N 2.93Å
398G27.3Very low31.6Very low72 Ų72152.7 Ų152.774%0.74279%0.793SS**  trans-57.5116.1-178.100000113.9Y396 A400Y396-G398 PolarHBondContact O-N 3.28Å; Y396-G398 VanDerWaalsContact O-N 3.07Å; G398-A400 PolarHBondContact O-N 3.25Å
399L32.2Very low32.1Very low156 Ų156154.4 Ų154.482%0.81779%0.789SS**  trans-79.482.3174.2-70.2173.5000111L397 L401L397-L399 PolarHBondContact O-N 2.93Å; L399-L401 PolarHBondContact O-N 3.43Å
400A29.5Very low32.2Very low99 Ų99156.6 Ų156.682%0.81879%0.791SS**  trans-69.6113.9166.500000110G398 D402G398-A400 PolarHBondContact O-N 3.25Å; A400-D402 PolarHBondContact O-N 2.94Å
401L34.1Very low32.7Very low159 Ų159153.5 Ų153.583%0.83279%0.785SS**  trans-82.6111.5171.7-70.9170.3000109.2L399 V403L399-L401 PolarHBondContact O-N 3.43Å; L401-V403 PolarHBondContact O-N 3.47Å
402D27.7Very low32.9Very low164 Ų164157 Ų15788%0.87779%0.789SS**  trans-76.4115.3176.4-168.920.1000109.8A400A400-D402 PolarHBondContact O-N 2.94Å
403V37.1Very low33.1Very low108 Ų108157.5 Ų157.566%0.65579%0.787SS**  trans-122.6123.3-173.6177.10000110.3L401L401-V403 PolarHBondContact O-N 3.47Å
404D31.9Very low33.2Very low138 Ų138158.2 Ų158.274%0.73879%0.79SS**  trans52.382.6164.5-63.9-22.4000118.7I406D404-I406 PolarHBondContact O-N 3.42Å
405R31.8Very low33.1Very low248 Ų248156.7 Ų156.794%0.93679%0.787SS**  trans-92.881.3153.9-158.8172.6-170.7-168.91.5111.8
406I39.5Very low33.3Very low146 Ų146156.6 Ų156.675%0.74979%0.786SS**  trans-58.6135.1169.6-64.7176000109.7D404D404-I406 PolarHBondContact O-N 3.42Å
407K38.6Very low33.3Very low169 Ų169151.6 Ų151.674%0.73579%0.786SS**  trans-69.3138.4175.5-67.2-171.8175.4-166.80111.8
408K36.7Very low34.5Very low202 Ų202150.1 Ų150.188%0.87879%0.787SS**  trans-132.2121.5148.8-75.5-169.7173.9-175.10108
409D36.3Very low35.3Very low127 Ų127152.5 Ų152.568%0.67979%0.789SS**  trans-98.5178.8169-56.2-62.2000108.6
410Q32.4Very low35.4Very low174 Ų174150.5 Ų150.581%0.81379%0.786SS**  trans76.7140.1-168.8-53.5177.7-93.700114
411E36.6Very low35.9Very low167 Ų167151.1 Ų151.178%0.7878%0.782SS**  cis-143.1168.96.6-143.9146.4-125.800111.9
412E35.7Very low35.7Very low187 Ų187154 Ų15487%0.87478%0.782SS**  trans-89.8144.4-175.3-61.9174.5110.100112.6
413E34Very low35.5Very low184 Ų184154 Ų15486%0.8678%0.781SS**  -171.1165.4112.9-115.2-175.9-167.500115.2
414E32.4Very low35.1Very low174 Ų174153.7 Ų153.781%0.81378%0.784SS**  trans-31.9163.2165.4-72.5-173176.700119.2
415D33.8Very low35.1Very low119 Ų119158.2 Ų158.264%0.63679%0.791SS**  cis-169.4168.7-11.4174.835000109.8
416Q34.2Very low34.9Very low167 Ų167154.8 Ų154.878%0.7879%0.785SS**  trans69.4161.8172.9-56.4-52.7-38.200119.5
417G29.8Very low34.3Very low66 Ų66154.9 Ų154.968%0.6879%0.787SS**  trans-119.8-154.5-156.400000118.7
418P53.6Low33.9Very low127 Ų127154 Ų15483%0.82579%0.789SS**  trans-87.7175.3-152.338.6-41.5000114.8
419P43.7Very low33.6Very low121 Ų121153.3 Ų153.379%0.78679%0.789SS**  cis-144.1-178.223.543.3-22.7000119.6
420C34.4Very low33.6Very low114 Ų114152.8 Ų152.877%0.7779%0.79SS**  trans-52.9173.6166.9-46.20000114
421P40.4Very low33.6Very low112 Ų112150.7 Ų150.773%0.72779%0.789SS**  cis-155.9-179.526.145.1-23.2000121
422R28.4Very low33.4Very low220 Ų220150.8 Ų150.883%0.8379%0.79SS**  trans67.8124.8142-88.1177.3176169.7-0.7123
423L24.5Very low33.3Very low163 Ų163147.8 Ų147.885%0.85379%0.786SS**  trans70.2156.2146.1-56.3171.8000116.3
424S29.4Very low33.2Very low103 Ų103147.7 Ų147.772%0.7279%0.786SS**  cis-154.4147.56.8550000114
425R30.3Very low33.2Very low232 Ų232145.3 Ų145.388%0.87578%0.783SS**  trans31.7111.6131.4-172.2-162.5-155.3169.58.2119.8
426E27.8Very low33.2Very low176 Ų176147.8 Ų147.882%0.82280%0.795SS**  trans-160.4117134.7-106.1178.4153.600108.1
427L28.4Very low33.2Very low149 Ų149148 Ų14878%0.7880%0.796SS**  83.994.396.2-81-174.6000115.7
428L30.1Very low33.1Very low151 Ų151152.5 Ų152.579%0.79181%0.805SS**  trans18.5114.4137.4-172.175.2000118.2V430L428-V430 HydrophobicContact CD1-CG2 4.31Å; L428-V430 HydrophobicContact CG-CG2 4.42Å
429E29.5Very low32.1Very low186 Ų186151.3 Ų151.387%0.86980%0.799SS**  trans-124141.8148.4-169.9156.6-13300108.8
430V36.6Very low31.7Very low117 Ų117154 Ų15471%0.70981%0.806SS**  trans-96.1123.7-1731740000109.6L428L428-V430 HydrophobicContact CD1-CG2 4.31Å; L428-V430 HydrophobicContact CG-CG2 4.42Å
431V32Very low31.6Very low130 Ų130154.4 Ų154.479%0.78880%0.8SS**  trans-132.5129.1168-177.30000108
432E31.9Very low31.1Very low169 Ų169158.5 Ų158.579%0.7980%0.802SS**  trans-71.1138.7176.5-65172.9106.100110.5E434E432-E434 PolarHBondContact O-N 2.95Å; E432-E434 VanDerWaalsContact O-N 3.16Å
433P35Very low31.1Very low124 Ų124154.4 Ų154.481%0.80581%0.805SS**  trans-74.7101.5166.930.1-31.2000109.3V435P433-V435 PolarHBondContact O-N 3.46Å
434E30.9Very low31.4Very low182 Ų182157.2 Ų157.285%0.8581%0.806SS**  trans-57.6130.1173.6-68.6-175.3123.600111.1E432 L436E432-E434 PolarHBondContact O-N 2.95Å; E432-E434 VanDerWaalsContact O-N 3.16Å; E434-L436 PolarHBondContact O-N 2.89Å
435V32.5Very low31.3Very low123 Ų123158.4 Ų158.475%0.74581%0.814SS**  trans-80.5101.7-179.6177.10000109.9P433 Q437P433-V435 PolarHBondContact O-N 3.46Å; V435-Q437 HydrophobicContact CG1-CG 4.03Å; V435-Q437 PolarHBondContact O-N 2.95Å
436L34.9Very low31.3Very low171 Ų171153.5 Ų153.590%0.89581%0.81SS**  trans-82.792.5167.4-72.7177.7000110.9E434E434-L436 PolarHBondContact O-N 2.89Å
437Q32.2Very low31.7Very low171 Ų171151 Ų15180%0.79981%0.809SS**  trans-86.1111.4159.8-79.4175.8-14.600109.8V435V435-Q437 HydrophobicContact CG1-CG 4.03Å; V435-Q437 PolarHBondContact O-N 2.95Å
438D28.7Very low31.7Very low162 Ų162149.3 Ų149.387%0.86681%0.809SS**  trans-174.9150.6137.7-109.7-22.8000109.8
439S33.6Very low31.5Very low101 Ų101146.9 Ų146.971%0.70681%0.805SS**  cis-144.3140.21.257.30000110.9
440L34.1Very low31.4Very low177 Ų177143.9 Ų143.993%0.92780%0.803SS**  trans-110.4117.4169.4-90.4172.5000110.3
441D31.4Very low31Very low123 Ų123144.7 Ų144.766%0.65880%0.803SS**  trans-158.5142.8166.9-141.365.6000109
442R31.2Very low30.9Very low199 Ų199147.8 Ų147.875%0.75181%0.809SS**  cis-172.1135.2-22.8170.3-170.1-49.5-150.6-0.6107.1
443C28.1Very low30.9Very low133 Ų133147.7 Ų147.790%0.89981%0.808SS**  trans-172.293151.1-112.70000112
444Y30.7Very low31.5Very low223 Ų223146.4 Ų146.488%0.87580%0.8SS**  trans-96.1142.4158.1-83.5-88.2000109.4
445S28.4Very low31.4Very low128 Ų128144.7 Ų144.790%0.89580%0.797SS**  trans-161.7127.4149.4-88.20000110.4
446T29Very low31.2Very low128 Ų128144.1 Ų144.179%0.78580%0.798SS**  trans-96.4142.7-179-53.40000109.5
447P37.1Very low30.8Very low125 Ų125142.1 Ų142.181%0.81280%0.797SS**  trans-81.5138.8-169.731-36.5000114.8
448S28Very low30.8Very low112 Ų112142.3 Ų142.378%0.78380%0.798SS**  trans-174154.2168.1175.20000109
449S26.8Very low31.1Very low100 Ų100140 Ų14070%0.69979%0.792SS**  cis-170.3146.4-41.154.60000107.2
450C25.9Very low30.7Very low123 Ų123145.6 Ų145.683%0.83180%0.799SS**  trans170.5156163.5-101.50000110.4
451L29.3Very low30.4Very low134 Ų134140.9 Ų140.970%0.70279%0.793SS**  cis-167.9124.8-42.9-138.1173.6000108.1Q453L451-Q453 HydrophobicContact CD2-CG 4.18Å
452E29.9Very low30.3Very low196 Ų196140.3 Ų140.392%0.91680%0.799SS**  trans-151.7159.6158.3-122.8171.9-168.200110
453Q32.3Very low30.2Very low166 Ų166136.3 Ų136.378%0.77680%0.802SS**  trans-140168.9-159.6-91.2-174.5-19.100110.8L451L451-Q453 HydrophobicContact CD2-CG 4.18Å
454P47.3Very low30.2Very low98 Ų98138.7 Ų138.764%0.63680%0.797SS**  cis-138.7-159.9-24.534-11.9000113
455D27.3Very low30.2Very low146 Ų146139 Ų13978%0.78180%0.798SS**  trans102.3127.8143.9-73.5-15000124.2
456S28.4Very low30.2Very low110 Ų110137.1 Ų137.177%0.76979%0.791SS**  trans87.7111151.3740000122.1
457C28.1Very low30.4Very low129 Ų129139.4 Ų139.487%0.87280%0.797SS**  trans67.1109.9134.4-59.30000122.5
458Q31.5Very low30.1Very low176 Ų176142.1 Ų142.182%0.82280%0.799SS**  trans-53.3164147.1-91.6-174.612.700113.1
459P35.3Very low30.2Very low114 Ų114143.6 Ų143.674%0.7479%0.793SS**  cis-151.115648.841.8-20.7000121.6
460Y25.1Very low30.3Very low218 Ų218146.3 Ų146.386%0.85579%0.793SS**  24.9133.2125.8-140.8-92.2000121.1
461G27.6Very low30.4Very low78 Ų78148.9 Ų148.980%0.80479%0.792SS**  trans162.898.3160.200000114.9
462S29Very low30.3Very low111 Ų111148.9 Ų148.978%0.77680%0.797SS**  trans-112.6153.7170.262.70000111.6
463S29.3Very low30.1Very low115 Ų115143.1 Ų143.180%0.80479%0.791SS**  trans-158.6143.3158540000112.2
464F29Very low29.8Very low182 Ų182144.4 Ų144.480%0.79879%0.794SS**  trans-93.7151160.4-72.4-106.6000108.3
465Y28.9Very low28.8Very low229 Ų229144.7 Ų144.790%0.89880%0.799SS**  173.5166.2106.6-101.6-75000112
466A29.3Very low28.8Very low90 Ų90146.1 Ų146.174%0.74481%0.805SS**  trans-84.1166.4-178.600000113.1
467L32.2Very low28.7Very low176 Ų176147.4 Ų147.492%0.92180%0.803SS**  trans-154140.9154.9-118.7163.4000110.7
468E32.1Very low28.9Very low181 Ų181148 Ų14885%0.84680%0.803SS**  trans-89.1-178.8173.8-67.5-174.295.100112.2
469E28.7Very low28.7Very low143 Ų143142.3 Ų142.367%0.66879%0.791SS**  trans81.495.5150.2-163124.7-9700119
470K30.2Very low28.5Very low157 Ų157145.8 Ų145.868%0.68380%0.797SS**  29.4129.4128.8-43.5158.1-163.11480117.4
471H27.6Very low29Very low178 Ų178143.6 Ų143.682%0.82480%0.799SS**  -169.8157.593.2-109.9-86.4000113.1
472V26.9Very low29.3Very low133 Ų133146.7 Ų146.781%0.80679%0.792SS**  trans-88.1135.5176.5174.40000110.5
473G25.2Very low29.5Very low76 Ų76150.6 Ų150.678%0.78480%0.795SS**  trans-165.4124.7170.900000111.6
474F26.1Very low29.5Very low193 Ų193153.1 Ų153.185%0.84679%0.788SS**  trans-98.2160.4-174.2-104.1-89.9000113.1
475S27.2Very low29.6Very low104 Ų104152.1 Ų152.173%0.72779%0.786SS**  trans69.6124.2155.7-56.20000119.3
476L27.7Very low29.6Very low175 Ų175149 Ų14992%0.91678%0.779SS**  -159.8159.195.6-109165.1000112.8
477D26.6Very low29.6Very low137 Ų137150.6 Ų150.673%0.73378%0.78SS**  trans-99.1156.6-177.6-179.530.2000111
478V32.1Very low29.5Very low143 Ų143150.2 Ų150.287%0.86777%0.773SS**  trans-142.387.3171.7-175.90000108.9
479G27.9Very low29.4Very low55 Ų55150 Ų15057%0.56777%0.773SS**  trans-94.2155.116500000111.8
480E30.8Very low29.4Very low187 Ų187149.9 Ų149.987%0.87478%0.776SS**  trans-171.5135.3143-113.5174.5-151.500111.1
481I35.7Very low29.4Very low173 Ų173149.5 Ų149.589%0.88778%0.777SS**  trans-175.3126133.2-93.7159.3000106.6
482E33.8Very low29.9Very low142 Ų142148.3 Ų148.366%0.66478%0.777SS**  trans-80.4158.8-172.2-51.7170.8109.500113.5
483K32.2Very low30.6Very low194 Ų194146.6 Ų146.684%0.84377%0.768SS**  -163.6143.5120.6-109.2169.9-173.8-179.60114.5
484Y29.8Very low30.6Very low168 Ų168148 Ų14866%0.65977%0.766SS**  trans-43.4158.8172.2-41-77000114.3
485Q31.1Very low31.1Very low160 Ų160144.5 Ų144.575%0.74876%0.764SS**  cis-161.1129.828.3-141146-2.300107.8
486E28Very low31.7Very low163 Ų163145 Ų14576%0.76277%0.765SS**  86150.780.9-160.1170.3-142.800114.7
487V29.5Very low31.5Very low124 Ų124147 Ų14775%0.75276%0.761SS**  trans90.6105.2174.9-170.50000118.5
488E30.9Very low31.4Very low168 Ų168148 Ų14879%0.78577%0.765SS**  trans28.1121.6133.6-75.1171.8-17100120.3
489E29.2Very low31Very low178 Ų178148.9 Ų148.983%0.83277%0.765SS**  98.1105.272.5-85-157.5160.200114.2
490D29.8Very low31Very low140 Ų140149.2 Ų149.275%0.74977%0.768SS**  trans67.5171.7139.8-157.528000120.7
491Q28.6Very low30.8Very low149 Ų149146.9 Ų146.970%0.69677%0.766SS**  trans74.585.9173.9-52.3-65.5-53.600117.4
492D39.2Very low30.3Very low152 Ų152146.6 Ų146.681%0.81377%0.766SS**  trans-81.4120.2148.4179.523.8000108.6
493P41.8Very low30Very low97 Ų97147.4 Ų147.463%0.6377%0.771SS**  -148.9152.9111.436.9-21.3000115.7
494S24.8Very low29.8Very low106 Ų106145.3 Ų145.374%0.74176%0.764SS**  trans121.3110.8141-500000117.1
495C36.7Very low29.7Very low120 Ų120143.8 Ų143.881%0.81177%0.772SS**  trans-61159.4145.4-63.20000110.1
496P39.7Very low29.5Very low113 Ų113145.1 Ų145.173%0.73478%0.779SS**  cis-154.1-164.635.240.4-16.5000117.5
497R24.1Very low29.3Very low219 Ų219146.3 Ų146.383%0.82678%0.784SS**  trans89.8117.9150.1-77.5174.5169.1178.8-3.2122.3
498L23.3Very low29.1Very low156 Ų156151.8 Ų151.882%0.81779%0.791SS**  61.9118125.3-60169.5000121.3
499N25.1Very low28.9Very low163 Ų163152.7 Ų152.787%0.87280%0.795SS**  -160.7165.8110.8-143.6-24.4000112.5
500G27.3Very low28.9Very low62 Ų62149.7 Ų149.764%0.63979%0.789SS**  trans87.757.9170.100000116.3
501V26.9Very low28.8Very low137 Ų137150.2 Ų150.283%0.8379%0.791SS**  89.2132.985.2170.20000113.5
502L25.5Very low29Very low167 Ų167151.7 Ų151.787%0.87480%0.798SS**  trans-106153.2-172.3-83.2163.5000113.5
503M25.9Very low28.3Very low160 Ų160151.5 Ų151.579%0.78880%0.797SS**  trans-161.2132.1150.3-103.1-175.577.100105.9
504E28.7Very low27.7Very low149 Ų149151.2 Ų151.270%0.69680%0.798SS**  cis-131.8146.1-0.4-78.2169.412700107.8
505V26.8Very low27.9Very low136 Ų136154.5 Ų154.582%0.82481%0.806SS**  44114.788-169.90000111
506E27.6Very low27.4Very low188 Ų188154.9 Ų154.988%0.87980%0.8SS**  cis-146.5165.948.2-167.5165.1-158.900113.6
507E24.5Very low26.6Very low188 Ų188158.8 Ų158.888%0.87980%0.8SS**  trans-89.4123.1-175.4-71.3-173.1106.800114.9
508R24.1Very low26.8Very low239 Ų239153.6 Ų153.690%0.90280%0.796SS**  trans-3.2122.3137.7-177.4-162.9-139.5-1777.5117.2
509E27.9Very low26.8Very low187 Ų187156.9 Ų156.987%0.87480%0.799SS**  trans-144.3104.1142-128176.3-14900114.6
510V28.7Very low26.8Very low116 Ų116153.9 Ų153.970%0.70379%0.791SS**  trans61.586.3138.9-179.60000119.3
511L28.6Very low26.8Very low150 Ų150157.5 Ų157.579%0.78580%0.8SS**  175.8143.3105.3-97.3169.3000113.6
512Q31.5Very low26.7Very low180 Ų180156.6 Ų156.684%0.84180%0.798SS**  trans64.3156.2172.3-62.7163.7-1300113.6
513D25.5Very low26.7Very low149 Ų149153.6 Ų153.680%0.79779%0.79SS**  cis-148.7179.710.7-162.88.7000111.9
514S27.5Very low26.6Very low91 Ų91153.9 Ų153.964%0.63679%0.792SS**  trans73.4118.7152.771.20000122.6
515L30.2Very low26.4Very low174 Ų174155.9 Ų155.991%0.91179%0.794SS**  trans44.8106.2133-63.3171.8000122.3
516D25.5Very low26.4Very low128 Ų128159.3 Ų159.368%0.68480%0.798SS**  trans-151.9143148-154.970.1000105.9
517R23.6Very low26.4Very low196 Ų196158.6 Ų158.674%0.7480%0.795SS**  cis-165155.5-12.7168.9-176.2-51-144.7-4.6107.6
518C28.1Very low26.5Very low109 Ų109156.1 Ų156.174%0.73679%0.787SS**  trans-16.2127.5176.2-49.10000118.4
519Y22.4Very low26.7Very low226 Ų226150.3 Ų150.389%0.88678%0.78SS**  trans-152.4139.8140.8-93.1-62.5000113.9
520S25.1Very low26.9Very low100 Ų100148 Ų14870%0.69977%0.774SS**  trans50.5122.3146.2-550000121.8P522S520-P522 WeakPolarHBondContact O-CD 3.43Å
521T28.3Very low27.3Very low137 Ų137146.7 Ų146.784%0.8477%0.77SS**  trans-52.8130.5156.4-38.20000112.4
522P24.1Very low27.5Very low119 Ų119148.5 Ų148.577%0.77377%0.772SS**  trans-104.1121.9158.314.25.3000110.2S520S520-P522 WeakPolarHBondContact O-CD 3.43Å
523S25.5Very low27.4Very low103 Ų103148.4 Ų148.472%0.7277%0.771SS**  trans-75.7133.9168174.10000110.5
524M25.2Very low27.7Very low167 Ų167150.2 Ų150.282%0.82378%0.775SS**  trans-150.8137151.9-96-100.662.100109.3
525Y24.5Very low27.9Very low191 Ų191157 Ų15775%0.74979%0.788SS**  trans-63.2144.9-178.4-77.9-121.8000112.5
526F26.1Very low28Very low207 Ų207160.2 Ų160.291%0.90879%0.788SS**  trans-141.7154.2138-109-78.3000109.5
527E27.3Very low28.5Very low173 Ų173159.8 Ų159.881%0.80880%0.795SS**  trans-87167.5-161.4-66.5158.911900114.2
528L27.2Very low28.7Very low137 Ų137156.6 Ų156.672%0.71780%0.797SS**  trans-59.5157.3-178-68.6161.7000112.9
529P27.1Very low29Very low116 Ų116161.1 Ų161.175%0.75380%0.804SS**  -131.7141.993.635.5-26.8000114.5S531P529-S531 PolarHBondContact O-N 3.35Å; P529-S531 VanDerWaalsContact O-N 3.14Å
530D33.7Very low29.3Very low140 Ų140160.6 Ų160.675%0.74980%0.803SS**  trans-64.3106.9-177.8-60.1-80.5000113.7
531S35.6Very low29.6Very low87 Ų87159.7 Ų159.761%0.60880%0.796SS**  trans-159.8152.5157.755.70000111.8P529P529-S531 PolarHBondContact O-N 3.35Å; P529-S531 VanDerWaalsContact O-N 3.14Å
532F34.2Very low29.9Very low189 Ų189161.1 Ų161.183%0.82979%0.791SS**SBendtrans68.142.4168.8-57.6-77.9000120.1
533Q29.8Very low30.6Very low177 Ų177163.1 Ų163.183%0.82779%0.79SS**  trans-138.132.7156.8-79.7-52.5-23.600116.3
534H30.2Very low31Very low188 Ų188165.1 Ų165.187%0.8779%0.788SS**  trans-122.969.7169.9-79.5-0.7000111.8
535Y31.4Very low31.5Very low233 Ų233163.8 Ų163.891%0.91478%0.78SS**SBendtrans-138.336.9165.5-123.1-79.7000113.2
536R33.5Very low32Very low241 Ų241160.3 Ų160.391%0.90977%0.77SS**SBendtrans-154.8146.6164.1-112.9174.2174.4-179.6-3.5109.1
537S34.7Very low32.5Very low120 Ų120155.8 Ų155.884%0.83975%0.754SS**  trans70.257.9173.5-163.50000118.6
538V28.6Very low32.7Very low128 Ų128151.7 Ų151.778%0.77675%0.745SS**  trans-137.3106.5140-166.60000108.4
539F35.2Very low33Very low204 Ų204151.8 Ų151.890%0.89574%0.739SS**  trans-144.235.6175.4-117.6-67.2000111.3
540Y28.3Very low33.5Very low216 Ų216148.5 Ų148.585%0.84772%0.722SS**SBendtrans-142.1166.1173.3-87.5-76.9000109.8
541S31.1Very low33.7Very low80 Ų80147.2 Ų147.256%0.55972%0.715SS**  trans57.454.7177.860.10000118.1
542F33.8Very low33.5Very low168 Ų168149.5 Ų149.574%0.73771%0.711SS**SBendtrans-73.4-27.2163.9-162.1-97.2000113.2E544 H546F542-E544 PolarHBondContact O-N 2.94Å; F542-H546 AromaticContact CE1-NE2 3.74Å
543E39.5Very low33.8Very low161 Ų161143.9 Ų143.975%0.75269%0.692SS**SBendtrans-66.8-37.8-172-139.462-151.800114.2
544E34.8Very low34.1Very low145 Ų145139.9 Ų139.968%0.67868%0.676SS**SBendtrans-88-26.4-160.2-158.8169.9-152.200113.8F542 H546 I547F542-E544 PolarHBondContact O-N 2.94Å; E544-H546 PolarHBondContact O-N 3.1Å; E544-I547 PolarHBondContact O-N 2.99Å
545Q34.7Very low34.4Very low139 Ų139136 Ų13665%0.6566%0.662SS**Hα-helixtrans-69.2-23.2179.7-64.8-165.74.300113.1I547 F549Q545-I547 VanDerWaalsContact C-N 3.33Å; Q545-I547 PolarHBondContact O-N 3.22Å; Q545-F549 PolarHBondContact O-N 3.49Å; Q545-F549 VanDerWaalsContact O-N 3.1Å
546H34.8Very low34.7Very low118 Ų118131.6 Ų131.655%0.54664%0.643SS.*Hα-helixtrans-66.2-31.5178.9-86.8-69.8000113.3F542 E544 A550F542-H546 AromaticContact CE1-NE2 3.74Å; E544-H546 PolarHBondContact O-N 3.1Å; H546-A550 WeakPolarHBondContact O-CB 3.38Å; H546-A550 PolarHBondContact O-N 3.36Å
547I37.1Very low35Very low112 Ų112126.7 Ų126.757%0.57463%0.629SS**Hα-helixtrans-70.1-47.2179.3-58.6177.4000110.3E544 Q545 A550 L551E544-I547 PolarHBondContact O-N 2.99Å; Q545-I547 VanDerWaalsContact C-N 3.33Å; Q545-I547 PolarHBondContact O-N 3.22Å; I547-A550 PolarHBondContact O-N 2.92Å; I547-L551 HydrophobicContact CG2-CD1 3.98Å; I547-L551 WeakPolarHBondContact O-CB 3.41Å; I547-L551 WeakPolarHBondContact O-CG 3.25Å; I547-L551 PolarHBondContact O-N 2.83Å
548S31.7Very low35.2Very low87 Ų87127.9 Ų127.961%0.60862%0.62SS**Hα-helixtrans-65.2-40.8177.9-75.10000112.8Y552S548-Y552 VanDerWaalsContact O-CB 3.31Å; S548-Y552 WeakPolarHBondContact O-CB 3.44Å; S548-Y552 PolarHBondContact O-N 3.32Å
549F34.2Very low35.8Very low138 Ų138125.4 Ų125.461%0.60561%0.605SS**Hα-helixtrans-71.8-37.5177.7-102-80.5000113.2Q545 Y552 V553Q545-F549 PolarHBondContact O-N 3.49Å; Q545-F549 VanDerWaalsContact O-N 3.1Å; F549-Y552 PolarHBondContact O-N 3.34Å; F549-V553 WeakPolarHBondContact O-CB 3.37Å; F549-V553 VanDerWaalsContact O-CG2 3.31Å; F549-V553 WeakPolarHBondContact O-CG2 3.49Å; F549-V553 PolarHBondContact O-N 3.45Å
550A37.1Very low36Very low47 Ų47121.4 Ų121.439%0.38859%0.592SS.*Hα-helixtrans-59.5-54.9172.800000110.4H546 I547 Y552 V553 D554H546-A550 WeakPolarHBondContact O-CB 3.38Å; H546-A550 PolarHBondContact O-N 3.36Å; I547-A550 PolarHBondContact O-N 2.92Å; A550-Y552 VanDerWaalsContact C-N 3.28Å; A550-Y552 PolarHBondContact O-N 3.24Å; A550-V553 PolarHBondContact O-N 3.24Å; A550-V553 VanDerWaalsContact O-N 3.17Å; A550-D554 WeakPolarHBondContact O-CB 3.39Å; A550-D554 PolarHBondContact O-N 2.94Å
551L36.8Very low36.8Very low113 Ų113114.1 Ų114.159%0.59257%0.57SS**Hα-helixtrans-60.8-33.7-179.9-68.3173.9000113.1I547 N555I547-L551 HydrophobicContact CG2-CD1 3.98Å; I547-L551 WeakPolarHBondContact O-CB 3.41Å; I547-L551 WeakPolarHBondContact O-CG 3.25Å; I547-L551 PolarHBondContact O-N 2.83Å; L551-N555 WeakPolarHBondContact O-CB 3.42Å; L551-N555 PolarHBondContact O-N 3.25Å
552Y31.6Very low37.2Very low136 Ų136113.8 Ų113.853%0.53356%0.564SS.*Hα-helixtrans-73.6-37.6177-166-112000113.3S548 F549 A550 R556S548-Y552 VanDerWaalsContact O-CB 3.31Å; S548-Y552 WeakPolarHBondContact O-CB 3.44Å; S548-Y552 PolarHBondContact O-N 3.32Å; F549-Y552 PolarHBondContact O-N 3.34Å; A550-Y552 VanDerWaalsContact C-N 3.28Å; A550-Y552 PolarHBondContact O-N 3.24Å; Y552-R556 WeakPolarHBondContact O-CB 3.32Å; Y552-R556 WeakPolarHBondContact O-CG 3.39Å; Y552-R556 PolarHBondContact O-N 2.91Å; Y552-R556 PolarHBondContact OH-NH2 3.03Å
553V40.6Very low37.6Very low70 Ų70109.5 Ų109.542%0.42455%0.552SS.*Hα-helixtrans-74.1-44.5176.4173.80000110.6F549 A550 R556 F557F549-V553 WeakPolarHBondContact O-CB 3.37Å; F549-V553 VanDerWaalsContact O-CG2 3.31Å; F549-V553 WeakPolarHBondContact O-CG2 3.49Å; F549-V553 PolarHBondContact O-N 3.45Å; A550-V553 PolarHBondContact O-N 3.24Å; A550-V553 VanDerWaalsContact O-N 3.17Å; V553-R556 PolarHBondContact O-N 3.5Å; V553-F557 HydrophobicContact CG1-CD2 4.42Å; V553-F557 PolarHBondContact O-N 3.35Å
554D37.4Very low37.5Very low94 Ų94105 Ų10550%0.50354%0.539SS..Hα-helixtrans-63.4-42.5178-73-26.4000111.6A550 R556 F557 F558A550-D554 WeakPolarHBondContact O-CB 3.39Å; A550-D554 PolarHBondContact O-N 2.94Å; D554-R556 VanDerWaalsContact C-N 3.35Å; D554-R556 PolarHBondContact O-N 3.4Å; D554-F557 CarbonylContact O-C 3.55Å; D554-F557 PolarHBondContact O-N 3.39Å; D554-F557 VanDerWaalsContact O-N 3.16Å; D554-F558 WeakPolarHBondContact O-CB 3.24Å; D554-F558 PolarHBondContact O-N 3.22Å
555N35.4Very low37.7Very low107 Ų107103.1 Ų103.157%0.57253%0.532SS*.Hα-helixtrans-67.7-34.5177.4-164.5-18.7000111.7L551 T559L551-N555 WeakPolarHBondContact O-CB 3.42Å; L551-N555 PolarHBondContact O-N 3.25Å; N555-T559 WeakPolarHBondContact O-CB 3.5Å; N555-T559 WeakPolarHBondContact O-CG2 3.25Å; N555-T559 PolarHBondContact O-N 3.1Å; N555-T559 PolarHBondContact O-OG1 2.88Å
556R38.1Very low37.6Very low139 Ų139102.1 Ų102.153%0.52553%0.528SS..Hα-helixtrans-66.5-39.7168.5-78.5178.7177.3-119.68.6112.5Y552 V553 D554 T559 L560Y552-R556 WeakPolarHBondContact O-CB 3.32Å; Y552-R556 WeakPolarHBondContact O-CG 3.39Å; Y552-R556 PolarHBondContact O-N 2.91Å; Y552-R556 PolarHBondContact OH-NH2 3.03Å; V553-R556 PolarHBondContact O-N 3.5Å; D554-R556 VanDerWaalsContact C-N 3.35Å; D554-R556 PolarHBondContact O-N 3.4Å; R556-T559 WeakPolarHBondContact CA-OG1 3.25Å; R556-T559 PolarHBondContact O-OG1 3.38Å; R556-L560 WeakPolarHBondContact O-CB 3.48Å; R556-L560 PolarHBondContact O-N 2.81Å
557F39.4Very low37.7Very low138 Ų138101.6 Ų101.661%0.60553%0.528SS*.Hα-helixtrans-68.4-41.8177.3-117.9-87.6000111.7V553 D554 T561V553-F557 HydrophobicContact CG1-CD2 4.42Å; V553-F557 PolarHBondContact O-N 3.35Å; D554-F557 CarbonylContact O-C 3.55Å; D554-F557 PolarHBondContact O-N 3.39Å; D554-F557 VanDerWaalsContact O-N 3.16Å; F557-T561 HydrophobicContact CD1-CG2 4.29Å; F557-T561 WeakPolarHBondContact O-CB 3.4Å; F557-T561 WeakPolarHBondContact O-CG2 3.36Å; F557-T561 PolarHBondContact O-N 3.03Å; F557-T561 PolarHBondContact O-OG1 3.28Å
558F39.4Very low37.8Very low146 Ų146100.6 Ų100.664%0.6453%0.527SS*.Hα-helixtrans-62.3-48.6173-111.5-88.8000111.5D554 L560 T561 V562D554-F558 WeakPolarHBondContact O-CB 3.24Å; D554-F558 PolarHBondContact O-N 3.22Å; F558-L560 PolarHBondContact O-N 3.1Å; F558-T561 WeakPolarHBondContact CA-OG1 3.42Å; F558-T561 PolarHBondContact O-N 3.11Å; F558-T561 PolarHBondContact O-OG1 2.93Å; F558-V562 HydrophobicContact CD1-CG2 4.05Å; F558-V562 WeakPolarHBondContact O-CB 3.41Å; F558-V562 WeakPolarHBondContact O-CG2 3.49Å; F558-V562 PolarHBondContact O-N 2.96Å
559T39.8Very low38Very low75 Ų75103.9 Ų103.946%0.4653%0.531SS..Hα-helixtrans-65-37.4178.746.20000112.8N555 R556 T563N555-T559 WeakPolarHBondContact O-CB 3.5Å; N555-T559 WeakPolarHBondContact O-CG2 3.25Å; N555-T559 PolarHBondContact O-N 3.1Å; N555-T559 PolarHBondContact O-OG1 2.88Å; R556-T559 WeakPolarHBondContact CA-OG1 3.25Å; R556-T559 PolarHBondContact O-OG1 3.38Å; T559-T563 WeakPolarHBondContact O-CB 3.35Å; T559-T563 VanDerWaalsContact O-CG2 3.29Å; T559-T563 WeakPolarHBondContact O-CG2 3.45Å; T559-T563 PolarHBondContact O-N 3.39Å; T559-T563 PolarHBondContact O-OG1 3.45Å
560L41.1Very low38.3Very low120 Ų120103.8 Ų103.863%0.62853%0.532SS*.Hα-helixtrans-70.1-40.9173.7-82164.2000113.3R556 F558 T563 S564R556-L560 WeakPolarHBondContact O-CB 3.48Å; R556-L560 PolarHBondContact O-N 2.81Å; F558-L560 PolarHBondContact O-N 3.1Å; L560-T563 PolarHBondContact O-OG1 3.11Å; L560-S564 WeakPolarHBondContact O-CB 3.36Å; L560-S564 PolarHBondContact O-N 2.94Å
561T45.2Very low38.4Very low63 Ų63109.4 Ų109.439%0.38755%0.552SS.*Hα-helixtrans-72.8-38.6178.349.60000112.5F557 F558 S564 L565F557-T561 HydrophobicContact CD1-CG2 4.29Å; F557-T561 WeakPolarHBondContact O-CB 3.4Å; F557-T561 WeakPolarHBondContact O-CG2 3.36Å; F557-T561 PolarHBondContact O-N 3.03Å; F557-T561 PolarHBondContact O-OG1 3.28Å; F558-T561 WeakPolarHBondContact CA-OG1 3.42Å; F558-T561 PolarHBondContact O-N 3.11Å; F558-T561 PolarHBondContact O-OG1 2.93Å; T561-S564 PolarHBondContact O-N 3.36Å; T561-L565 WeakPolarHBondContact O-CB 3.11Å; T561-L565 PolarHBondContact O-N 2.89Å
562V39.7Very low38.7Very low73 Ų73106.6 Ų106.644%0.44255%0.551SS.*Hα-helixtrans-66.8-44.2174.5171.50000111.1F558 S564 L565 H566F558-V562 HydrophobicContact CD1-CG2 4.05Å; F558-V562 WeakPolarHBondContact O-CB 3.41Å; F558-V562 WeakPolarHBondContact O-CG2 3.49Å; F558-V562 PolarHBondContact O-N 2.96Å; V562-S564 PolarHBondContact O-N 2.86Å; V562-L565 PolarHBondContact O-N 2.83Å; V562-H566 VanDerWaalsContact O-CB 3.27Å; V562-H566 WeakPolarHBondContact O-CB 3.35Å; V562-H566 PolarHBondContact O-N 3.14Å
563T40.8Very low39.3Very low78 Ų78105.1 Ų105.148%0.47956%0.556SS.*Hα-helixtrans-66.6-36.4175.550.90000112.4T559 L560 H566 L567T559-T563 WeakPolarHBondContact O-CB 3.35Å; T559-T563 VanDerWaalsContact O-CG2 3.29Å; T559-T563 WeakPolarHBondContact O-CG2 3.45Å; T559-T563 PolarHBondContact O-N 3.39Å; T559-T563 PolarHBondContact O-OG1 3.45Å; L560-T563 PolarHBondContact O-OG1 3.11Å; T563-H566 PolarHBondContact O-N 3.46Å; T563-L567 WeakPolarHBondContact O-CB 3.41Å; T563-L567 PolarHBondContact O-N 2.95Å
564S37.5Very low39Very low68 Ų68109.6 Ų109.648%0.47658%0.576SS.*Hα-helixtrans-62.3-50172-175.80000112.1L560 T561 V562 H566 L567 V568L560-S564 WeakPolarHBondContact O-CB 3.36Å; L560-S564 PolarHBondContact O-N 2.94Å; T561-S564 PolarHBondContact O-N 3.36Å; V562-S564 PolarHBondContact O-N 2.86Å; S564-H566 VanDerWaalsContact C-N 3.31Å; S564-H566 PolarHBondContact O-N 3.42Å; S564-L567 PolarHBondContact O-N 3.34Å; S564-V568 WeakPolarHBondContact O-CG2 3.45Å; S564-V568 PolarHBondContact O-N 3.4Å
565L39.1Very low38.9Very low104 Ų104113.9 Ų113.955%0.54559%0.59SS.*Hα-helixtrans-59.4-39.8175.2-88.7158.1000112.2T561 V562 V568 F569T561-L565 WeakPolarHBondContact O-CB 3.11Å; T561-L565 PolarHBondContact O-N 2.89Å; V562-L565 PolarHBondContact O-N 2.83Å; L565-V568 PolarHBondContact O-N 3.03Å; L565-F569 WeakPolarHBondContact O-CB 3.33Å; L565-F569 PolarHBondContact O-N 3.38Å
566H32.4Very low39.1Very low118 Ų118114.6 Ų114.655%0.54660%0.6SS.*Hα-helixtrans-71-31.6179.5-155.6-44000112.7V562 T563 S564 Q570V562-H566 VanDerWaalsContact O-CB 3.27Å; V562-H566 WeakPolarHBondContact O-CB 3.35Å; V562-H566 PolarHBondContact O-N 3.14Å; T563-H566 PolarHBondContact O-N 3.46Å; S564-H566 VanDerWaalsContact C-N 3.31Å; S564-H566 PolarHBondContact O-N 3.42Å; H566-Q570 PolarHBondContact O-N 3.32Å; H566-Q570 VanDerWaalsContact O-N 3.14Å
567L37.3Very low39Very low108 Ų108120.7 Ų120.757%0.56564%0.635SS**Hα-helixtrans-70.9-43.4169.9-85.5162.6000111.9T563 S564 F569 Q570 M571T563-L567 WeakPolarHBondContact O-CB 3.41Å; T563-L567 PolarHBondContact O-N 2.95Å; S564-L567 PolarHBondContact O-N 3.34Å; L567-F569 VanDerWaalsContact C-N 3.34Å; L567-F569 PolarHBondContact O-N 3.02Å; L567-Q570 PolarHBondContact O-N 2.88Å; L567-M571 WeakPolarHBondContact O-CG 3.28Å; L567-M571 PolarHBondContact O-N 3.09Å
568V39.4Very low39Very low91 Ų91119.9 Ų119.955%0.55264%0.637SS**Hα-helixtrans-62.3-41176.2170.50000111.1S564 L565 M571 G572S564-V568 WeakPolarHBondContact O-CG2 3.45Å; S564-V568 PolarHBondContact O-N 3.4Å; L565-V568 PolarHBondContact O-N 3.03Å; V568-M571 PolarHBondContact O-N 2.93Å; V568-G572 PolarHBondContact O-N 3.2Å
569F35.9Very low39Very low155 Ų155118.5 Ų118.568%0.6864%0.636SS**Hα-helixtrans-68.2-33.9174.8-102.6-88.8000113.6L565 L567L565-F569 WeakPolarHBondContact O-CB 3.33Å; L565-F569 PolarHBondContact O-N 3.38Å; L567-F569 VanDerWaalsContact C-N 3.34Å; L567-F569 PolarHBondContact O-N 3.02Å
570Q39.6Very low38.9Very low136 Ų136120.9 Ų120.964%0.63665%0.646SS**Hα-helixtrans-72.5-30.9174-81.3-172.3-25.700113.3H566 L567H566-Q570 PolarHBondContact O-N 3.32Å; H566-Q570 VanDerWaalsContact O-N 3.14Å; L567-Q570 PolarHBondContact O-N 2.88Å
571M39.9Very low38.8Very low165 Ų165120.9 Ų120.981%0.81365%0.647SS**Hα-helixtrans-83.6-11.8175.8-66.6-65.9-70.700113.5L567 V568L567-M571 WeakPolarHBondContact O-CG 3.28Å; L567-M571 PolarHBondContact O-N 3.09Å; V568-M571 PolarHBondContact O-N 2.93Å
572G42.4Very low38.4Very low54 Ų54124.6 Ų124.656%0.55766%0.663SS**SBendtrans-86.7-9.2-177.900000116.1V568V568-G572 PolarHBondContact O-N 3.2Å
573V44.9Very low38.3Very low105 Ų105128 Ų12864%0.63668%0.678SS**  trans-135.879.1-173.8-168.80000112.6
574I34Very low38.1Very low164 Ų164131.6 Ų131.684%0.84169%0.692SS**  trans-151.6118.1141.3-92.6137.5000106.2
575F34.5Very low38.2Very low185 Ų185136.5 Ų136.581%0.81171%0.709SS**  trans-86152.3177.6-88.5-102.3000111.3
576P40.2Very low38.1Very low121 Ų121139.2 Ų139.279%0.78672%0.723SS**  trans-79.1129.7162.432.5-31.4000110.9
577Q36.4Very low38.6Very low268 Ų268141.1 Ų141.1100%1.25274%0.739SS**  trans-150.30157.2-167.9165.93200110.1

Retrieved 577 of 577 residues in 274.4 ms (Link to these results)