A0A087Y4N7_POEFO Loading...

Ubiquitin-protein ligase E3B

AlphaFold DB , UniProt , Accession A0A087Y4N7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,068 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
1M40.8Very low57.1Low241 Ų241130.3 Ų130.3100%1.18771%0.706SS**  097.60-89.9176164.700107.4S3M1-S3 PolarHBondContact O-N 2.69Å
2F41.2Very low58.7Low218 Ų218131.6 Ų131.696%0.95670%0.701SS**  trans-83.7105.4-172.6-67.6-86.2000110.2
3S48.9Very low60.2Low113 Ų113129 Ų12979%0.7969%0.686SS**  trans-94.6113.7161.459.80000108.5M1M1-S3 PolarHBondContact O-N 2.69Å
4V55.9Low61.3Low129 Ų129125.6 Ų125.678%0.78267%0.669SS**  trans-57.3134.3172178.80000108.6Q6V4-Q6 PolarHBondContact O-N 3.02Å; V4-Q6 VanDerWaalsContact O-N 3.14Å
5P53.6Low62.4Low117 Ų117126.9 Ų126.976%0.7667%0.666SS**  trans-67.2116.7177.710.3-1.3000108.3S7P5-S7 PolarHBondContact O-N 3.46Å
6Q55.3Low63.4Low149 Ų149120.8 Ų120.870%0.69664%0.639SS**  trans-55.4113.6165.7-94.9-177.6-19.300107.7V4 S10V4-Q6 PolarHBondContact O-N 3.02Å; V4-Q6 VanDerWaalsContact O-N 3.14Å; Q6-S10 WeakPolarHBondContact CB-OG 3.3Å
7S60.1Low64.4Low71 Ų71122.9 Ų122.950%0.49764%0.636SS.*  trans-50.4143-179.667.30000110.6P5 K9 S10P5-S7 PolarHBondContact O-N 3.46Å; S7-K9 PolarHBondContact O-N 3.15Å; S7-S10 PolarHBondContact O-N 3.01Å; S7-S10 PolarHBondContact O-OG 3.1Å
8S64Low65.2Low101 Ų101122.7 Ų122.771%0.70663%0.632SS**Hα-helixtrans-52.1-22.2176.469.40000113.4F12S8-F12 VanDerWaalsContact O-CB 3.29Å; S8-F12 WeakPolarHBondContact O-CB 3.26Å; S8-F12 PolarHBondContact O-N 3.44Å
9K68.9Low66.1Low148 Ų148117.6 Ų117.664%0.64361%0.61SS**Hα-helixtrans-64.4-38.4172.1-168176.9-178.9179.40113S7 L13S7-K9 PolarHBondContact O-N 3.15Å; K9-L13 HydrophobicContact CG-CD1 4.14Å; K9-L13 WeakPolarHBondContact O-CB 3.49Å; K9-L13 WeakPolarHBondContact O-CG 3.41Å; K9-L13 PolarHBondContact O-N 3.48Å
10S68.5Low66.8Low30 Ų30120.7 Ų120.721%0.2161%0.613CS.*Hα-helixtrans-70.1-45.8178.760.90000112.4Q6 S7 F12 L13 D14Q6-S10 WeakPolarHBondContact CB-OG 3.3Å; S7-S10 PolarHBondContact O-N 3.01Å; S7-S10 PolarHBondContact O-OG 3.1Å; S10-F12 VanDerWaalsContact C-N 3.33Å; S10-F12 PolarHBondContact O-N 3.43Å; S10-L13 PolarHBondContact O-N 3.14Å; S10-D14 PolarHBondContact O-N 2.86Å
11E71.1Confident67.4Low116 Ų116120.7 Ų120.754%0.54261%0.611SS.*Hα-helixtrans-61.9-38.6172.4-78.1-170.7146.700112.5K15E11-K15 WeakPolarHBondContact O-CB 3.46Å; E11-K15 WeakPolarHBondContact O-CG 3.41Å; E11-K15 PolarHBondContact O-N 3.35Å
12F76.3Confident69.4Low146 Ų146115 Ų11564%0.6458%0.582SS**Hα-helixtrans-65.6-42.1175178.6-95.4000112S8 S10 A16S8-F12 VanDerWaalsContact O-CB 3.29Å; S8-F12 WeakPolarHBondContact O-CB 3.26Å; S8-F12 PolarHBondContact O-N 3.44Å; S10-F12 VanDerWaalsContact C-N 3.33Å; S10-F12 PolarHBondContact O-N 3.43Å; F12-A16 WeakPolarHBondContact O-CB 3.02Å; F12-A16 PolarHBondContact O-N 2.71Å
13L77.8Confident71.4Confident98 Ų98112.5 Ų112.551%0.51357%0.566SS.*Hα-helixtrans-66.6-38.7176.9-75.7170.5000111.9K9 S10 A16 R17K9-L13 HydrophobicContact CG-CD1 4.14Å; K9-L13 WeakPolarHBondContact O-CB 3.49Å; K9-L13 WeakPolarHBondContact O-CG 3.41Å; K9-L13 PolarHBondContact O-N 3.48Å; S10-L13 PolarHBondContact O-N 3.14Å; L13-A16 PolarHBondContact O-N 3.18Å; L13-R17 VanDerWaalsContact O-CB 3.28Å; L13-R17 WeakPolarHBondContact O-CB 3.41Å; L13-R17 PolarHBondContact O-N 3.41Å
14D76.2Confident73Confident82 Ų82113.3 Ų113.344%0.43956%0.555SS.*Hα-helixtrans-70.2-42.6175.3-83.7-17.9000111.9S10 A16 R17 Q18S10-D14 PolarHBondContact O-N 2.86Å; D14-A16 VanDerWaalsContact C-N 3.31Å; D14-A16 PolarHBondContact O-N 3.04Å; D14-R17 PolarHBondContact O-N 2.86Å; D14-Q18 VanDerWaalsContact O-CB 3.29Å; D14-Q18 WeakPolarHBondContact O-CB 3.47Å; D14-Q18 PolarHBondContact O-N 3.21Å
15K77.4Confident74.3Confident145 Ų145108.4 Ų108.463%0.6353%0.53SS*.Hα-helixtrans-60.1-40170.6-79.6179.4178.3171.50112.1E11 A19E11-K15 WeakPolarHBondContact O-CB 3.46Å; E11-K15 WeakPolarHBondContact O-CG 3.41Å; E11-K15 PolarHBondContact O-N 3.35Å; K15-A19 VanDerWaalsContact O-CB 3.23Å; K15-A19 WeakPolarHBondContact O-CB 3.5Å; K15-A19 PolarHBondContact O-N 3.41Å
16A79.2Confident75.8Confident28 Ų28109.1 Ų109.123%0.23152%0.523CS..Hα-helixtrans-69.5-35.3176.300000112.3F12 L13 D14 R20F12-A16 WeakPolarHBondContact O-CB 3.02Å; F12-A16 PolarHBondContact O-N 2.71Å; L13-A16 PolarHBondContact O-N 3.18Å; D14-A16 VanDerWaalsContact C-N 3.31Å; D14-A16 PolarHBondContact O-N 3.04Å; A16-R20 WeakPolarHBondContact O-CB 3.45Å; A16-R20 WeakPolarHBondContact O-CG 3.34Å; A16-R20 PolarHBondContact O-N 3.07Å
17R79.6Confident77.3Confident157 Ų157109.2 Ų109.259%0.59252%0.521SS*.Hα-helixtrans-67.2-47.2173.5-176.8-175.7-117.3169.2-4.8110.7L13 D14 A19 R20 E21L13-R17 VanDerWaalsContact O-CB 3.28Å; L13-R17 WeakPolarHBondContact O-CB 3.41Å; L13-R17 PolarHBondContact O-N 3.41Å; D14-R17 PolarHBondContact O-N 2.86Å; R17-A19 PolarHBondContact O-N 3.37Å; R17-R20 CarbonylContact O-C 3.2Å; R17-R20 WeakPolarHBondContact O-CA 3.32Å; R17-R20 WeakPolarHBondContact O-CB 3.44Å; R17-R20 PolarHBondContact O-N 3.34Å; R17-R20 VanDerWaalsContact O-N 3.08Å; R17-E21 PolarHBondContact O-N 3.2Å
18Q79.2Confident78.6Confident120 Ų120111.2 Ų111.256%0.56152%0.523SS*.Hα-helixtrans-62-44.5177.4-156.5171.226.800110.8D14 R20 E21 E22D14-Q18 VanDerWaalsContact O-CB 3.29Å; D14-Q18 WeakPolarHBondContact O-CB 3.47Å; D14-Q18 PolarHBondContact O-N 3.21Å; Q18-R20 VanDerWaalsContact C-N 3.31Å; Q18-R20 PolarHBondContact O-N 2.86Å; Q18-E21 PolarHBondContact O-N 3.4Å; Q18-E22 WeakPolarHBondContact O-CB 3.4Å; Q18-E22 WeakPolarHBondContact O-CG 3.47Å; Q18-E22 PolarHBondContact O-N 3.09Å
19A81.5Confident79.7Confident26 Ų26113.6 Ų113.622%0.21552%0.52CS..Hα-helixtrans-64.6-31.6173.100000113.2K15 R17 R23K15-A19 VanDerWaalsContact O-CB 3.23Å; K15-A19 WeakPolarHBondContact O-CB 3.5Å; K15-A19 PolarHBondContact O-N 3.41Å; R17-A19 PolarHBondContact O-N 3.37Å; A19-R23 WeakPolarHBondContact O-CB 3.41Å; A19-R23 WeakPolarHBondContact O-CG 3.47Å; A19-R23 PolarHBondContact O-N 3.13Å
20R80.8Confident80.6Confident178 Ų178113 Ų11367%0.67252%0.52SS*.Hα-helixtrans-71.1-39.7172.6-79.1170.9-174176.73.1111.5A16 R17 Q18 R23 K24A16-R20 WeakPolarHBondContact O-CB 3.45Å; A16-R20 WeakPolarHBondContact O-CG 3.34Å; A16-R20 PolarHBondContact O-N 3.07Å; R17-R20 CarbonylContact O-C 3.2Å; R17-R20 WeakPolarHBondContact O-CA 3.32Å; R17-R20 WeakPolarHBondContact O-CB 3.44Å; R17-R20 PolarHBondContact O-N 3.34Å; R17-R20 VanDerWaalsContact O-N 3.08Å; Q18-R20 VanDerWaalsContact C-N 3.31Å; Q18-R20 PolarHBondContact O-N 2.86Å; R20-R23 PolarHBondContact O-N 2.77Å; R20-K24 VanDerWaalsContact O-CB 3.31Å; R20-K24 WeakPolarHBondContact O-CB 3.45Å; R20-K24 PolarHBondContact O-N 2.95Å
21E80.3Confident81.7Confident121 Ų121118.3 Ų118.357%0.56554%0.539SS*.Hα-helixtrans-67.3-41.2175.4-77179.4176.100111.7R17 Q18 K24 G25R17-E21 PolarHBondContact O-N 3.2Å; Q18-E21 PolarHBondContact O-N 3.4Å; E21-K24 CarbonylContact O-C 3.55Å; E21-K24 WeakPolarHBondContact O-CB 3.16Å; E21-K24 PolarHBondContact O-N 2.9Å; E21-G25 PolarHBondContact O-N 3.2Å
22E81.9Confident82.4Confident123 Ų123114.8 Ų114.858%0.57553%0.53SS*.Hα-helixtrans-61.7-44.7172.1-75.9178.9170.300111.7Q18 K24 G25 H26Q18-E22 WeakPolarHBondContact O-CB 3.4Å; Q18-E22 WeakPolarHBondContact O-CG 3.47Å; Q18-E22 PolarHBondContact O-N 3.09Å; E22-K24 VanDerWaalsContact C-N 3.33Å; E22-K24 PolarHBondContact O-N 3.48Å; E22-G25 PolarHBondContact O-N 3.25Å; E22-H26 WeakPolarHBondContact O-CB 3.49Å; E22-H26 PolarHBondContact O-CD2 3.18Å; E22-H26 PolarHBondContact O-N 3.3Å
23R83.4Confident83.1Confident165 Ų165109.8 Ų109.862%0.62352%0.515SS*.Hα-helixtrans-63.6-37.7173.9-74.9178.2-138165.92.2112.2A19 R20 H26 K27A19-R23 WeakPolarHBondContact O-CB 3.41Å; A19-R23 WeakPolarHBondContact O-CG 3.47Å; A19-R23 PolarHBondContact O-N 3.13Å; R20-R23 PolarHBondContact O-N 2.77Å; R23-H26 PolarHBondContact O-N 3.37Å; R23-K27 WeakPolarHBondContact O-CG 3.4Å; R23-K27 PolarHBondContact O-N 2.79Å
24K82.7Confident83.7Confident130 Ų130109 Ų10957%0.56552%0.515SS*.Hα-helixtrans-65-45.7174.8-173.8-176.8173.7-169.50110.3R20 E21 E22 H26 K27 E28R20-K24 VanDerWaalsContact O-CB 3.31Å; R20-K24 WeakPolarHBondContact O-CB 3.45Å; R20-K24 PolarHBondContact O-N 2.95Å; E21-K24 CarbonylContact O-C 3.55Å; E21-K24 WeakPolarHBondContact O-CB 3.16Å; E21-K24 PolarHBondContact O-N 2.9Å; E22-K24 VanDerWaalsContact C-N 3.33Å; E22-K24 PolarHBondContact O-N 3.48Å; K24-H26 PolarHBondContact O-N 2.85Å; K24-K27 PolarHBondContact O-N 3.47Å; K24-E28 WeakPolarHBondContact CE-OE1 3.38Å; K24-E28 WeakPolarHBondContact O-CB 3.49Å; K24-E28 WeakPolarHBondContact O-CG 3.11Å; K24-E28 PolarHBondContact O-N 3.3Å
25G83.4Confident84.4Confident25 Ų25110.5 Ų110.526%0.25852%0.52SS..Hα-helixtrans-61.7-38.8175.100000112.9E21 E22 E28 K29E21-G25 PolarHBondContact O-N 3.2Å; E22-G25 PolarHBondContact O-N 3.25Å; G25-E28 PolarHBondContact O-N 3.08Å; G25-K29 WeakPolarHBondContact O-CB 3.48Å; G25-K29 WeakPolarHBondContact O-CG 3.43Å; G25-K29 PolarHBondContact O-N 3.23Å
26H85.4Confident85.1Confident132 Ų132108.6 Ų108.661%0.61152%0.515SS*.Hα-helixtrans-65.3-44.8172.5-93.3-73.7000112.5E22 R23 K24 E28 K29 E30E22-H26 WeakPolarHBondContact O-CB 3.49Å; E22-H26 PolarHBondContact O-CD2 3.18Å; E22-H26 PolarHBondContact O-N 3.3Å; R23-H26 PolarHBondContact O-N 3.37Å; K24-H26 PolarHBondContact O-N 2.85Å; H26-E28 VanDerWaalsContact C-N 3.31Å; H26-E28 PolarHBondContact O-N 3.44Å; H26-K29 PolarHBondContact O-N 2.61Å; H26-E30 WeakPolarHBondContact O-CB 3.5Å; H26-E30 PolarHBondContact O-N 3.13Å
27K85.9Confident85.7Confident151 Ų151112.2 Ų112.266%0.65753%0.527SS*.Hα-helixtrans-61.7-39174.7-76.7-178.9178.4-174.30112.2R23 K24 E30 K31R23-K27 WeakPolarHBondContact O-CG 3.4Å; R23-K27 PolarHBondContact O-N 2.79Å; K24-K27 PolarHBondContact O-N 3.47Å; K27-E30 PolarHBondContact O-N 3.37Å; K27-K31 VanDerWaalsContact O-CB 3.29Å; K27-K31 WeakPolarHBondContact O-CB 3.47Å; K27-K31 PolarHBondContact O-N 3.29Å
28E86.4Confident86.2Confident113 Ų113107.4 Ų107.453%0.52852%0.521SS..Hα-helixtrans-66.8-43.1175.7-75.5174.9-176.900111.6K24 G25 H26 E30 K31 A32K24-E28 WeakPolarHBondContact CE-OE1 3.38Å; K24-E28 WeakPolarHBondContact O-CB 3.49Å; K24-E28 WeakPolarHBondContact O-CG 3.11Å; K24-E28 PolarHBondContact O-N 3.3Å; G25-E28 PolarHBondContact O-N 3.08Å; H26-E28 VanDerWaalsContact C-N 3.31Å; H26-E28 PolarHBondContact O-N 3.44Å; E28-E30 PolarHBondContact O-N 3.2Å; E28-K31 PolarHBondContact O-N 3.4Å; E28-A32 WeakPolarHBondContact O-CB 3.48Å; E28-A32 PolarHBondContact O-N 2.56Å
29K86.8Confident86.8Confident151 Ų151107.1 Ų107.166%0.65752%0.523SS*.Hα-helixtrans-60.6-42.9172.9-77.1176.9-179.21780112.2G25 H26 A32 A33G25-K29 WeakPolarHBondContact O-CB 3.48Å; G25-K29 WeakPolarHBondContact O-CG 3.43Å; G25-K29 PolarHBondContact O-N 3.23Å; H26-K29 PolarHBondContact O-N 2.61Å; K29-A32 PolarHBondContact O-N 3Å; K29-A33 WeakPolarHBondContact O-CB 3.47Å; K29-A33 PolarHBondContact O-N 2.97Å
30E89.8Confident87.3Confident135 Ų135109.3 Ų109.363%0.63153%0.533SS*.Hα-helixtrans-68.3-40.2179.1-168.3177.2-175.300112H26 K27 E28 A33 T34H26-E30 WeakPolarHBondContact O-CB 3.5Å; H26-E30 PolarHBondContact O-N 3.13Å; K27-E30 PolarHBondContact O-N 3.37Å; E28-E30 PolarHBondContact O-N 3.2Å; E30-A33 PolarHBondContact O-N 3.05Å; E30-T34 WeakPolarHBondContact O-CB 3.22Å; E30-T34 PolarHBondContact O-N 3.06Å; E30-T34 PolarHBondContact O-OG1 2.74Å
31K90.4Very high87.9Confident142 Ų142109.2 Ų109.262%0.61753%0.533SS*.Hα-helixtrans-63.5-44173.1-171.6178.5-179.1-178.30111.5K27 E28 T34 Q35K27-K31 VanDerWaalsContact O-CB 3.29Å; K27-K31 WeakPolarHBondContact O-CB 3.47Å; K27-K31 PolarHBondContact O-N 3.29Å; E28-K31 PolarHBondContact O-N 3.4Å; K31-T34 PolarHBondContact O-N 2.71Å; K31-Q35 WeakPolarHBondContact O-CG 3.38Å; K31-Q35 PolarHBondContact O-N 2.85Å
32A86.9Confident88.4Confident43 Ų43111.3 Ų111.336%0.35554%0.535SS..Hα-helixtrans-62.5-44.7175.100000111.4E28 K29 T34 Q35 I36E28-A32 WeakPolarHBondContact O-CB 3.48Å; E28-A32 PolarHBondContact O-N 2.56Å; K29-A32 PolarHBondContact O-N 3Å; A32-T34 VanDerWaalsContact C-N 3.33Å; A32-T34 PolarHBondContact O-N 3.29Å; A32-Q35 PolarHBondContact O-N 3.17Å; A32-I36 VanDerWaalsContact O-CG1 3.27Å; A32-I36 WeakPolarHBondContact O-CG1 3.19Å; A32-I36 PolarHBondContact O-N 3.17Å
33A90.3Very high88.8Confident40 Ų40111.8 Ų111.833%0.33154%0.536SS..Hα-helixtrans-59.3-43175.500000111.9K29 E30 Q35 I36 Q37K29-A33 WeakPolarHBondContact O-CB 3.47Å; K29-A33 PolarHBondContact O-N 2.97Å; E30-A33 PolarHBondContact O-N 3.05Å; A33-Q35 PolarHBondContact O-N 3.42Å; A33-I36 PolarHBondContact O-N 3.15Å; A33-Q37 WeakPolarHBondContact O-CB 3.38Å; A33-Q37 VanDerWaalsContact O-CG 3.23Å; A33-Q37 WeakPolarHBondContact O-CG 3.49Å; A33-Q37 PolarHBondContact O-N 2.88Å
34T91.2Very high89.1Confident82 Ų82107.9 Ų107.950%0.50353%0.527SS..Hα-helixtrans-62.4-43.3176.8-55.50000111.7E30 K31 A32 Q37 A38E30-T34 WeakPolarHBondContact O-CB 3.22Å; E30-T34 PolarHBondContact O-N 3.06Å; E30-T34 PolarHBondContact O-OG1 2.74Å; K31-T34 PolarHBondContact O-N 2.71Å; A32-T34 VanDerWaalsContact C-N 3.33Å; A32-T34 PolarHBondContact O-N 3.29Å; T34-Q37 PolarHBondContact O-N 3.13Å; T34-A38 WeakPolarHBondContact O-CB 3.49Å; T34-A38 PolarHBondContact O-N 3.3Å
35Q90.5Very high89.5Confident114 Ų114105.6 Ų105.653%0.53353%0.527SS..Hα-helixtrans-65.1-44.7176.7-73.2178.5-16.300111.9K31 A32 A33 A38 L39K31-Q35 WeakPolarHBondContact O-CG 3.38Å; K31-Q35 PolarHBondContact O-N 2.85Å; A32-Q35 PolarHBondContact O-N 3.17Å; A33-Q35 PolarHBondContact O-N 3.42Å; Q35-A38 PolarHBondContact O-N 3.28Å; Q35-L39 WeakPolarHBondContact O-CG 3.4Å; Q35-L39 PolarHBondContact O-N 3.28Å
36I91.4Very high89.7Confident105 Ų105111.6 Ų111.654%0.53854%0.541SS..Hα-helixtrans-60.6-47.4176.1-68.2166.2000110A32 A33 A38 L39 V40A32-I36 VanDerWaalsContact O-CG1 3.27Å; A32-I36 WeakPolarHBondContact O-CG1 3.19Å; A32-I36 PolarHBondContact O-N 3.17Å; A33-I36 PolarHBondContact O-N 3.15Å; I36-A38 VanDerWaalsContact C-N 3.34Å; I36-A38 PolarHBondContact O-N 2.96Å; I36-L39 PolarHBondContact O-N 3.15Å; I36-V40 HydrophobicContact CG2-CG2 4.29Å; I36-V40 VanDerWaalsContact O-CG2 3.29Å; I36-V40 WeakPolarHBondContact O-CG2 3.43Å; I36-V40 PolarHBondContact O-N 2.61Å
37Q91.1Very high89.9Confident103 Ų103107 Ų10748%0.48152%0.523SS..Hα-helixtrans-60.4-41.7177.4-74.7176.71.600112.2A33 T34 V40 R41A33-Q37 WeakPolarHBondContact O-CB 3.38Å; A33-Q37 VanDerWaalsContact O-CG 3.23Å; A33-Q37 WeakPolarHBondContact O-CG 3.49Å; A33-Q37 PolarHBondContact O-N 2.88Å; T34-Q37 PolarHBondContact O-N 3.13Å; Q37-V40 PolarHBondContact O-N 3.29Å; Q37-R41 WeakPolarHBondContact O-CB 3.12Å; Q37-R41 VanDerWaalsContact O-CG 3.25Å; Q37-R41 WeakPolarHBondContact O-CG 3.45Å; Q37-R41 PolarHBondContact O-N 3.23Å
38A91.5Very high90.1Very high56 Ų56108.5 Ų108.546%0.46353%0.525SS..Hα-helixtrans-63.4-42.817600000111.9T34 Q35 I36 R41 R42T34-A38 WeakPolarHBondContact O-CB 3.49Å; T34-A38 PolarHBondContact O-N 3.3Å; Q35-A38 PolarHBondContact O-N 3.28Å; I36-A38 VanDerWaalsContact C-N 3.34Å; I36-A38 PolarHBondContact O-N 2.96Å; A38-R41 PolarHBondContact O-N 3.09Å; A38-R42 WeakPolarHBondContact O-CB 3.41Å; A38-R42 PolarHBondContact O-N 3.4Å
39L91.7Very high90.3Very high114 Ų114106.9 Ų106.960%0.59752%0.519SS*.Hα-helixtrans-63.7-43175.6-71.2173.8000111.9Q35 I36 R42 F43Q35-L39 WeakPolarHBondContact O-CG 3.4Å; Q35-L39 PolarHBondContact O-N 3.28Å; I36-L39 PolarHBondContact O-N 3.15Å; L39-R42 PolarHBondContact O-N 2.99Å; L39-F43 WeakPolarHBondContact O-CB 3.19Å; L39-F43 PolarHBondContact O-N 2.94Å
40V91.9Very high90.5Very high72 Ų72101 Ų10144%0.43649%0.494SS..Hα-helixtrans-65.1-45.4177172.50000111.1I36 Q37 R42 F43 L44I36-V40 HydrophobicContact CG2-CG2 4.29Å; I36-V40 VanDerWaalsContact O-CG2 3.29Å; I36-V40 WeakPolarHBondContact O-CG2 3.43Å; I36-V40 PolarHBondContact O-N 2.61Å; Q37-V40 PolarHBondContact O-N 3.29Å; V40-R42 VanDerWaalsContact C-N 3.32Å; V40-R42 PolarHBondContact O-N 3.41Å; V40-F43 PolarHBondContact O-N 2.61Å; V40-L44 HydrophobicContact CG1-CD1 3.98Å; V40-L44 HydrophobicContact CG1-CG 4.31Å; V40-L44 WeakPolarHBondContact O-CB 3.41Å; V40-L44 WeakPolarHBondContact O-CG 3.49Å; V40-L44 PolarHBondContact O-N 3.46Å
41R92.4Very high90.4Very high177 Ų177101.8 Ų101.867%0.66850%0.496SS*.Hα-helixtrans-59.8-42.9175.3-73.5173.8-174.7176.84.1111.4Q37 A38 L44 C45Q37-R41 WeakPolarHBondContact O-CB 3.12Å; Q37-R41 VanDerWaalsContact O-CG 3.25Å; Q37-R41 WeakPolarHBondContact O-CG 3.45Å; Q37-R41 PolarHBondContact O-N 3.23Å; A38-R41 PolarHBondContact O-N 3.09Å; R41-L44 PolarHBondContact O-N 2.87Å; R41-C45 VanDerWaalsContact O-CB 3.3Å; R41-C45 WeakPolarHBondContact O-CB 3.29Å; R41-C45 PolarHBondContact O-N 2.93Å
42R91.6Very high90.5Very high164 Ų164100.3 Ų100.362%0.61949%0.491SS*.Hα-helixtrans-62.8-44.3175.3-174.1179-178.2-174.11111.5A38 L39 V40 C45 R46A38-R42 WeakPolarHBondContact O-CB 3.41Å; A38-R42 PolarHBondContact O-N 3.4Å; L39-R42 PolarHBondContact O-N 2.99Å; V40-R42 VanDerWaalsContact C-N 3.32Å; V40-R42 PolarHBondContact O-N 3.41Å; R42-C45 PolarHBondContact O-N 3.33Å; R42-R46 VanDerWaalsContact O-CG 3.29Å; R42-R46 WeakPolarHBondContact O-CG 3.34Å; R42-R46 PolarHBondContact O-N 3.34Å
43F89.3Confident90.8Very high134 Ų13498.9 Ų98.959%0.58848%0.477SS*.Hα-helixtrans-60.8-51176.4174.9-101.8000111.5L39 V40 C45 R46 C47L39-F43 WeakPolarHBondContact O-CB 3.19Å; L39-F43 PolarHBondContact O-N 2.94Å; V40-F43 PolarHBondContact O-N 2.61Å; F43-C45 VanDerWaalsContact C-N 3.34Å; F43-C45 PolarHBondContact O-N 3.18Å; F43-R46 PolarHBondContact O-N 3.18Å; F43-C47 PolarHBondContact O-N 3.37Å; F43-C47 PolarHBondContact O-SG 3.32Å
44L91.3Very high90.8Very high83 Ų8398.9 Ų98.944%0.43547%0.469SS..Hα-helixtrans-60.8-40.5178.4-69.7175.1000112.4V40 R41 C47 R48V40-L44 HydrophobicContact CG1-CD1 3.98Å; V40-L44 HydrophobicContact CG1-CG 4.31Å; V40-L44 WeakPolarHBondContact O-CB 3.41Å; V40-L44 WeakPolarHBondContact O-CG 3.49Å; V40-L44 PolarHBondContact O-N 3.46Å; R41-L44 PolarHBondContact O-N 2.87Å; L44-C47 PolarHBondContact O-N 3Å; L44-R48 WeakPolarHBondContact O-CG 3.49Å; L44-R48 PolarHBondContact O-N 3.45Å
45C91Very high90.8Very high82 Ų82101.5 Ų101.555%0.55447%0.473SS*.Hα-helixtrans-61.7-46.3175-176.30000111.5R41 R42 F43 C47 R48 L49R41-C45 VanDerWaalsContact O-CB 3.3Å; R41-C45 WeakPolarHBondContact O-CB 3.29Å; R41-C45 PolarHBondContact O-N 2.93Å; R42-C45 PolarHBondContact O-N 3.33Å; F43-C45 VanDerWaalsContact C-N 3.34Å; F43-C45 PolarHBondContact O-N 3.18Å; C45-C47 VanDerWaalsContact C-N 3.33Å; C45-C47 PolarHBondContact O-N 2.82Å; C45-R48 PolarHBondContact O-N 3.44Å; C45-L49 WeakPolarHBondContact O-CB 3.49Å; C45-L49 PolarHBondContact O-N 3.06Å
46R87.9Confident90.8Very high151 Ų15198.8 Ų98.857%0.5746%0.46SS*.Hα-helixtrans-61-41175.1-68.6175.391.5-179.26.5111.6R42 F43 L49 Q50R42-R46 VanDerWaalsContact O-CG 3.29Å; R42-R46 WeakPolarHBondContact O-CG 3.34Å; R42-R46 PolarHBondContact O-N 3.34Å; F43-R46 PolarHBondContact O-N 3.18Å; R46-L49 PolarHBondContact O-N 3.41Å; R46-Q50 WeakPolarHBondContact O-CB 3.47Å; R46-Q50 VanDerWaalsContact O-CG 3.23Å; R46-Q50 WeakPolarHBondContact O-CG 3.24Å; R46-Q50 PolarHBondContact O-N 3.27Å
47C88.1Confident90.8Very high34 Ų3493.8 Ų93.823%0.2344%0.435CS..Hα-helixtrans-63.8-42.2176-68.90000112.5F43 L44 C45 Q50 K51F43-C47 PolarHBondContact O-N 3.37Å; F43-C47 PolarHBondContact O-SG 3.32Å; L44-C47 PolarHBondContact O-N 3Å; C45-C47 VanDerWaalsContact C-N 3.33Å; C45-C47 PolarHBondContact O-N 2.82Å; C47-Q50 PolarHBondContact O-N 3.08Å; C47-K51 WeakPolarHBondContact O-CG 3.43Å; C47-K51 PolarHBondContact O-N 2.93Å
48R91.4Very high90.7Very high184 Ų18491.3 Ų91.369%0.69443%0.425SS*.Hα-helixtrans-62.9-47175.5-73.1179.4-168.3168.32.5111.3L44 C45 Q50 K51 Q52L44-R48 WeakPolarHBondContact O-CG 3.49Å; L44-R48 PolarHBondContact O-N 3.45Å; C45-R48 PolarHBondContact O-N 3.44Å; R48-Q50 PolarHBondContact O-N 2.93Å; R48-K51 PolarHBondContact O-N 3.5Å; R48-Q52 WeakPolarHBondContact O-CB 3.49Å; R48-Q52 PolarHBondContact O-N 3.1Å
49L90.3Very high90.6Very high78 Ų7892 Ų9241%0.40842%0.421SS..Hα-helixtrans-60.8-44.2177.3-17963.1000111.7C45 R46 K51 Q52 I53 F85C45-L49 WeakPolarHBondContact O-CB 3.49Å; C45-L49 PolarHBondContact O-N 3.06Å; R46-L49 PolarHBondContact O-N 3.41Å; L49-K51 PolarHBondContact O-N 2.91Å; L49-Q52 PolarHBondContact O-N 3.09Å; L49-I53 HydrophobicContact CD1-CD1 3.94Å; L49-I53 HydrophobicContact CD1-CG1 4.25Å; L49-I53 HydrophobicContact CG-CD1 3.88Å; L49-I53 WeakPolarHBondContact O-CB 3.18Å; L49-I53 WeakPolarHBondContact O-CG1 3.44Å; L49-I53 PolarHBondContact O-N 3.35Å; L49-F85 HydrophobicContact CD2-CE1 4.37Å
50Q89.6Confident90.3Very high27 Ų2789 Ų8913%0.12640%0.402CS..Hα-helixtrans-60.8-43.8175.6-75.8173.9-10.300112R46 C47 R48 I53 R54 I86R46-Q50 WeakPolarHBondContact O-CB 3.47Å; R46-Q50 VanDerWaalsContact O-CG 3.23Å; R46-Q50 WeakPolarHBondContact O-CG 3.24Å; R46-Q50 PolarHBondContact O-N 3.27Å; C47-Q50 PolarHBondContact O-N 3.08Å; R48-Q50 PolarHBondContact O-N 2.93Å; Q50-I53 PolarHBondContact O-N 3.39Å; Q50-R54 WeakPolarHBondContact O-CB 3.5Å; Q50-R54 VanDerWaalsContact O-CG 3.31Å; Q50-R54 WeakPolarHBondContact O-CG 3.47Å; Q50-R54 PolarHBondContact O-N 3.25Å; Q50-I86 HydrophobicContact CG-CB 4.2Å; Q50-I86 HydrophobicContact CG-CG2 3.96Å
51K89.8Confident89.9Confident152 Ų15285.8 Ų85.866%0.66138%0.382SS*.Hα-helixtrans-62.9-43.6175.7-75.7-178.5179.7-1730112C47 R48 L49 R54 K55C47-K51 WeakPolarHBondContact O-CG 3.43Å; C47-K51 PolarHBondContact O-N 2.93Å; R48-K51 PolarHBondContact O-N 3.5Å; L49-K51 PolarHBondContact O-N 2.91Å; K51-R54 PolarHBondContact O-N 3.43Å; K51-K55 WeakPolarHBondContact O-CB 3.38Å; K51-K55 PolarHBondContact O-N 2.76Å
52Q92.5Very high89.3Confident112 Ų11283 Ų8352%0.52338%0.377SS..Hα-helixtrans-61.6-48.3177.3-177.8-180-9.900111.2R48 L49 R54 K55 E56R48-Q52 WeakPolarHBondContact O-CB 3.49Å; R48-Q52 PolarHBondContact O-N 3.1Å; L49-Q52 PolarHBondContact O-N 3.09Å; Q52-R54 PolarHBondContact O-N 3Å; Q52-K55 WeakPolarHBondContact O-CB 3.45Å; Q52-K55 PolarHBondContact O-N 2.83Å; Q52-E56 PolarHBondContact NE2-OE1 3.22Å; Q52-E56 WeakPolarHBondContact O-CG 3.38Å; Q52-E56 PolarHBondContact O-N 2.88Å
53I91.6Very high88Confident13 Ų1379.1 Ų79.17%0.06737%0.371CS..Hα-helixtrans-62.5-42.9178.4-69.2169.1000111.1L49 Q50 K55 E56 V57 K82 F85 I86L49-I53 HydrophobicContact CD1-CD1 3.94Å; L49-I53 HydrophobicContact CD1-CG1 4.25Å; L49-I53 HydrophobicContact CG-CD1 3.88Å; L49-I53 WeakPolarHBondContact O-CB 3.18Å; L49-I53 WeakPolarHBondContact O-CG1 3.44Å; L49-I53 PolarHBondContact O-N 3.35Å; Q50-I53 PolarHBondContact O-N 3.39Å; I53-K55 VanDerWaalsContact C-N 3.31Å; I53-K55 PolarHBondContact O-N 3.35Å; I53-E56 PolarHBondContact O-N 3.17Å; I53-V57 HydrophobicContact CG2-CG2 4.32Å; I53-V57 VanDerWaalsContact O-CG2 3.24Å; I53-V57 WeakPolarHBondContact O-CG2 3.48Å; I53-V57 PolarHBondContact O-N 3.26Å; I53-K82 HydrophobicContact CG2-CB 3.92Å; I53-F85 HydrophobicContact CD1-CD1 4.27Å; I53-I86 HydrophobicContact CB-CD1 3.85Å; I53-I86 HydrophobicContact CD1-CG2 3.68Å; I53-I86 HydrophobicContact CG2-CD1 3.49Å; I53-I86 VanDerWaalsContact CG2-CD1 3.49Å; I53-I86 HydrophobicContact CG2-CG1 3.85Å; I53-I86 HydrophobicContact CG2-CG2 4.43Å
54R91.6Very high86.4Confident40 Ų4075 Ų7515%0.15136%0.359CS..Hα-helixtrans-59.2-43.2175.8-76.7174.2177.9152.5-6.2111.9Q50 K51 Q52 V57 D58 I86 E90 D91Q50-R54 WeakPolarHBondContact O-CB 3.5Å; Q50-R54 VanDerWaalsContact O-CG 3.31Å; Q50-R54 WeakPolarHBondContact O-CG 3.47Å; Q50-R54 PolarHBondContact O-N 3.25Å; K51-R54 PolarHBondContact O-N 3.43Å; Q52-R54 PolarHBondContact O-N 3Å; R54-V57 PolarHBondContact O-N 2.77Å; R54-D58 WeakPolarHBondContact O-CB 3.43Å; R54-D58 PolarHBondContact O-N 3.3Å; R54-I86 HydrophobicContact CG-CD1 3.65Å; R54-E90 IonicContact NH2-OE2 3.09Å; R54-D91 IonicContact CZ-OD1 2.77Å; R54-D91 IonicContact CZ-OD2 3.37Å; R54-D91 IonicContact NE-OD1 2.76Å; R54-D91 PolarHBondContact NE-OD1 3.27Å; R54-D91 IonicContact NE-OD2 2.78Å; R54-D91 PolarHBondContact NE-OD2 2.98Å; R54-D91 IonicContact NH2-OD1 3.79Å; R54-D91 IonicContact NH2-OD2 2.93Å; R54-D91 PolarHBondContact NH2-OD2 3.41Å
55K91.3Very high84.7Confident137 Ų13777.6 Ų77.660%0.59637%0.369SS*.Hα-helixtrans-61-48.1175.6-172.6-179.7177.3-177.60111.6K51 Q52 I53 V57 D58 D59K51-K55 WeakPolarHBondContact O-CB 3.38Å; K51-K55 PolarHBondContact O-N 2.76Å; Q52-K55 WeakPolarHBondContact O-CB 3.45Å; Q52-K55 PolarHBondContact O-N 2.83Å; I53-K55 VanDerWaalsContact C-N 3.31Å; I53-K55 PolarHBondContact O-N 3.35Å; K55-V57 VanDerWaalsContact C-N 3.26Å; K55-V57 PolarHBondContact O-N 3.03Å; K55-D58 PolarHBondContact O-N 3Å; K55-D58 VanDerWaalsContact O-N 3.15Å; K55-D59 WeakPolarHBondContact O-CB 3.33Å; K55-D59 PolarHBondContact O-N 3.33Å
56E90.6Very high82.9Confident56 Ų5679.1 Ų79.126%0.26238%0.376SS..Hα-helixtrans-59.2-37.2176.8-70.9175.4-168.300112.7Q52 I53 Y60 K82Q52-E56 PolarHBondContact NE2-OE1 3.22Å; Q52-E56 WeakPolarHBondContact O-CG 3.38Å; Q52-E56 PolarHBondContact O-N 2.88Å; I53-E56 PolarHBondContact O-N 3.17Å; E56-Y60 WeakPolarHBondContact O-CB 3.17Å; E56-Y60 PolarHBondContact O-N 3.48Å; E56-Y60 VanDerWaalsContact O-N 3.13Å; E56-K82 WeakPolarHBondContact OE2-CD 3.43Å; E56-K82 IonicContact OE2-NZ 3.2Å; E56-K82 PolarHBondContact OE2-NZ 3.32Å
57V90.1Very high81.1Confident0 Ų075 Ų750%038%0.38CS..Hα-helixtrans-68.2-45.2175.5173.20000110.8I53 R54 K55 Y60 F61 I79 L83 R94I53-V57 HydrophobicContact CG2-CG2 4.32Å; I53-V57 VanDerWaalsContact O-CG2 3.24Å; I53-V57 WeakPolarHBondContact O-CG2 3.48Å; I53-V57 PolarHBondContact O-N 3.26Å; R54-V57 PolarHBondContact O-N 2.77Å; K55-V57 VanDerWaalsContact C-N 3.26Å; K55-V57 PolarHBondContact O-N 3.03Å; V57-Y60 PolarHBondContact O-N 3.09Å; V57-F61 HydrophobicContact CG1-CD2 3.71Å; V57-F61 HydrophobicContact CG1-CE2 3.57Å; V57-F61 WeakPolarHBondContact O-CD2 3.45Å; V57-F61 PolarHBondContact O-N 3.19Å; V57-F61 VanDerWaalsContact O-N 3.13Å; V57-I79 HydrophobicContact CG2-CG2 4.25Å; V57-L83 HydrophobicContact CG1-CD1 4.39Å; V57-L83 HydrophobicContact CG2-CB 4.21Å; V57-L83 HydrophobicContact CG2-CD1 4.46Å; V57-R94 HydrophobicContact CG1-CB 4.21Å; V57-R94 HydrophobicContact CG1-CG 4.33Å
58D89.9Confident79Confident51 Ų5179.5 Ų79.527%0.27341%0.406SS..Hα-helixtrans-63.8-45.5179.1-67.2-24.1000111.5R54 K55 Y60 F61 Q62 R94R54-D58 WeakPolarHBondContact O-CB 3.43Å; R54-D58 PolarHBondContact O-N 3.3Å; K55-D58 PolarHBondContact O-N 3Å; K55-D58 VanDerWaalsContact O-N 3.15Å; D58-Y60 VanDerWaalsContact C-N 3.32Å; D58-Y60 PolarHBondContact O-N 3.43Å; D58-F61 PolarHBondContact O-N 3.43Å; D58-F61 VanDerWaalsContact O-N 3.09Å; D58-Q62 PolarHBondContact O-N 2.85Å; D58-R94 WeakPolarHBondContact OD1-CD 3.48Å; D58-R94 IonicContact OD1-CZ 2.76Å; D58-R94 IonicContact OD1-NE 3.33Å; D58-R94 PolarHBondContact OD1-NE 3.23Å; D58-R94 IonicContact OD1-NH2 2.61Å; D58-R94 PolarHBondContact OD1-NH2 3.45Å; D58-R94 IonicContact OD2-CZ 3.84Å; D58-R94 IonicContact OD2-NE 3.85Å; D58-R94 PolarHBondContact OD2-NE 2.98Å; D58-R94 IonicContact OD2-NH2 3.03Å; D58-R94 PolarHBondContact OD2-NH2 2.88Å
59D88.3Confident77.2Confident72 Ų7275 Ų7539%0.38540%0.4SS..Hα-helixtrans-59-43.7176.7-66.2-15.5000110.4K55 F61 Q62 V63K55-D59 WeakPolarHBondContact O-CB 3.33Å; K55-D59 PolarHBondContact O-N 3.33Å; D59-F61 VanDerWaalsContact C-N 3.29Å; D59-F61 PolarHBondContact O-N 3.4Å; D59-Q62 PolarHBondContact O-N 3.46Å; D59-V63 VanDerWaalsContact O-CG2 3.26Å; D59-V63 WeakPolarHBondContact O-CG2 3.49Å; D59-V63 PolarHBondContact O-N 3.33Å
60Y86.3Confident75.7Confident49 Ų4978.8 Ų78.819%0.19241%0.413CS..Hα-helixtrans-62.2-33.9176.4-179.4-97000113.3E56 V57 D58 R71 S75 I76 I79E56-Y60 WeakPolarHBondContact O-CB 3.17Å; E56-Y60 PolarHBondContact O-N 3.48Å; E56-Y60 VanDerWaalsContact O-N 3.13Å; V57-Y60 PolarHBondContact O-N 3.09Å; D58-Y60 VanDerWaalsContact C-N 3.32Å; D58-Y60 PolarHBondContact O-N 3.43Å; Y60-R71 PolarHBondContact O-NH2 3.01Å; Y60-R71 WeakPolarHBondContact OH-CD 3.37Å; Y60-R71 WeakPolarHBondContact OH-CG 3.47Å; Y60-S75 PolarHBondContact OH-OG 3.37Å; Y60-I76 WeakPolarHBondContact OH-CG1 3.33Å; Y60-I76 PolarHBondContact OH-N 3.31Å; Y60-I79 HydrophobicContact CD1-CB 4.24Å; Y60-I79 HydrophobicContact CD1-CG1 3.89Å; Y60-I79 HydrophobicContact CD1-CG2 3.88Å; Y60-I79 HydrophobicContact CD2-CD1 4.09Å; Y60-I79 HydrophobicContact CD2-CG1 3.73Å; Y60-I79 HydrophobicContact CE1-CB 4.34Å; Y60-I79 HydrophobicContact CE1-CG1 4.12Å; Y60-I79 HydrophobicContact CE1-CG2 4.31Å; Y60-I79 HydrophobicContact CE2-CG1 3.97Å; Y60-I79 HydrophobicContact CG-CB 4.5Å; Y60-I79 HydrophobicContact CG-CD1 3.94Å; Y60-I79 HydrophobicContact CG-CG1 3.68Å; Y60-I79 HydrophobicContact CG-CG2 4.31Å
61F83.8Confident74.9Confident6 Ų680 Ų803%0.02642%0.416CS..Hα-helixtrans-84.1-31.5178.8-71.3-61.3000113.5V57 D58 D59 R71 I79 K97 L98 A101V57-F61 HydrophobicContact CG1-CD2 3.71Å; V57-F61 HydrophobicContact CG1-CE2 3.57Å; V57-F61 WeakPolarHBondContact O-CD2 3.45Å; V57-F61 PolarHBondContact O-N 3.19Å; V57-F61 VanDerWaalsContact O-N 3.13Å; D58-F61 PolarHBondContact O-N 3.43Å; D58-F61 VanDerWaalsContact O-N 3.09Å; D59-F61 VanDerWaalsContact C-N 3.29Å; D59-F61 PolarHBondContact O-N 3.4Å; F61-R71 VanDerWaalsContact CD1-NH2 3.31Å; F61-I79 HydrophobicContact CE2-CG2 4.34Å; F61-I79 HydrophobicContact CZ-CG2 4.41Å; F61-K97 HydrophobicContact CB-CD 3.82Å; F61-K97 HydrophobicContact CD1-CB 3.89Å; F61-K97 HydrophobicContact CD2-CB 4.09Å; F61-K97 HydrophobicContact CE1-CB 4.14Å; F61-K97 HydrophobicContact CE2-CB 4.28Å; F61-K97 HydrophobicContact CG-CB 3.92Å; F61-K97 HydrophobicContact CG-CD 4.14Å; F61-K97 HydrophobicContact CZ-CB 4.35Å; F61-L98 HydrophobicContact CE2-CB 4.44Å; F61-L98 HydrophobicContact CZ-CB 3.87Å; F61-L98 HydrophobicContact CZ-CD1 4.17Å; F61-A101 HydrophobicContact CE1-CB 3.91Å
62Q79.5Confident74.5Confident118 Ų11876.7 Ų76.755%0.55141%0.406SS*.Hα-helixtrans-67.5-42.2176-84.5-175.6-13.100113.3D58 D59 S64 E65D58-Q62 PolarHBondContact O-N 2.85Å; D59-Q62 PolarHBondContact O-N 3.46Å; Q62-S64 PolarHBondContact O-N 2.91Å; Q62-E65 PolarHBondContact O-N 3.16Å; Q62-E65 VanDerWaalsContact O-N 3.1Å
63V63.8Low74.2Confident83 Ų8371.5 Ų71.550%0.50338%0.382SS..THydrogen-bonded Turntrans-61.4-17.4-178.2173.10000113.2D59 T66D59-V63 VanDerWaalsContact O-CG2 3.26Å; D59-V63 WeakPolarHBondContact O-CG2 3.49Å; D59-V63 PolarHBondContact O-N 3.33Å; V63-T66 PolarHBondContact O-OG1 3.39Å
64S55Low74Confident47 Ų4774.2 Ų74.233%0.32940%0.396SS..THydrogen-bonded Turntrans-90.8-19.3179.5179.50000114.4Q62 T66 R71Q62-S64 PolarHBondContact O-N 2.91Å; S64-T66 PolarHBondContact O-N 3.46Å; S64-R71 VanDerWaalsContact CB-CZ 3.46Å; S64-R71 PolarHBondContact OG-NH2 3.3Å
65E56.3Low73.8Confident138 Ų13873.6 Ų73.665%0.64540%0.398SS*.THydrogen-bonded Turntrans-75.1-16.1177.8-71.1172.7-167.900110.9Q62 K97Q62-E65 PolarHBondContact O-N 3.16Å; Q62-E65 VanDerWaalsContact O-N 3.1Å; E65-K97 IonicContact OE1-NZ 3.88Å; E65-K97 PolarHBondContact OE1-NZ 3.31Å
66T52.5Low73.7Confident114 Ų11467.1 Ų67.170%0.69937%0.37SS*.THydrogen-bonded Turntrans-99.45.2-177.250.80000115.3V63 S64V63-T66 PolarHBondContact O-OG1 3.39Å; S64-T66 PolarHBondContact O-N 3.46Å
67G50Low73.8Confident63 Ų6365 Ų6565%0.64936%0.36SS*.THydrogen-bonded Turntrans97.413.6150.600000121.2
68T44.8Very low73.9Confident129 Ų12971 Ų7179%0.79139%0.386SS*.  trans-135.33.5-171.847.10000119.6
69T53.3Low74Confident90 Ų9069.4 Ų69.455%0.55238%0.377SS*.  trans-131115.7176.644.10000114.4R71T69-R71 PolarHBondContact O-N 2.97Å
70K58.9Low74.2Confident157 Ų15766 Ų6668%0.68336%0.359SS*.PPolyproline II helixtrans-65.6124.2170.4-71.9-179.8174.6178.70109.7N72 E111K70-N72 PolarHBondContact O-N 2.86Å; K70-E111 IonicContact NZ-OE1 2.69Å; K70-E111 PolarHBondContact NZ-OE1 3.26Å; K70-E111 IonicContact NZ-OE2 3.81Å
71R72.8Confident74.5Confident53 Ų5371.6 Ų71.620%0.238%0.38CS..PPolyproline II helixtrans-76.7117.6179.4-67.8177.8173.4143.9-0.4110.7Y60 F61 S64 T69 I76Y60-R71 PolarHBondContact O-NH2 3.01Å; Y60-R71 WeakPolarHBondContact OH-CD 3.37Å; Y60-R71 WeakPolarHBondContact OH-CG 3.47Å; F61-R71 VanDerWaalsContact CD1-NH2 3.31Å; S64-R71 VanDerWaalsContact CB-CZ 3.46Å; S64-R71 PolarHBondContact OG-NH2 3.3Å; T69-R71 PolarHBondContact O-N 2.97Å; R71-I76 HydrophobicContact CB-CD1 3.97Å; R71-I76 HydrophobicContact CB-CG1 4.01Å
72N82.1Confident74.9Confident82 Ų8275.6 Ų75.644%0.43940%0.397SS..PPolyproline II helixtrans-75.4152.6171.868.121000111.4K70 L74 S75 I76K70-N72 PolarHBondContact O-N 2.86Å; N72-L74 PolarHBondContact O-N 2.93Å; N72-S75 PolarHBondContact O-N 3.31Å; N72-S75 VanDerWaalsContact O-N 3.13Å; N72-S75 PolarHBondContact O-OG 3.36Å; N72-S75 WeakPolarHBondContact OD1-CA 3.46Å; N72-S75 WeakPolarHBondContact OD1-CB 3.38Å; N72-S75 PolarHBondContact OD1-N 3.33Å; N72-S75 PolarHBondContact OD1-OG 2.96Å; N72-I76 PolarHBondContact O-N 2.92Å
73A85.2Confident75.5Confident3 Ų370 Ų703%0.02537%0.371CS..Hα-helixtrans-55.8-38.1-177.300000112.7S75 I76 F77 W115 L119A73-S75 PolarHBondContact O-N 3.17Å; A73-I76 PolarHBondContact O-N 2.91Å; A73-F77 WeakPolarHBondContact O-CB 3.37Å; A73-F77 PolarHBondContact O-N 3.2Å; A73-W115 WeakPolarHBondContact CB-O 3.34Å; A73-L119 HydrophobicContact CB-CD1 4.03Å; A73-L119 HydrophobicContact CB-CD2 4.12Å; A73-L119 HydrophobicContact CB-CG 3.89Å
74L87.4Confident76.9Confident70 Ų7067.6 Ų67.637%0.36636%0.355SS..Hα-helixtrans-66.6-35.3-178.9-170.966.7000113.1N72 F77 K78 L119 L125N72-L74 PolarHBondContact O-N 2.93Å; L74-F77 PolarHBondContact O-N 2.91Å; L74-K78 WeakPolarHBondContact O-CG 3.49Å; L74-K78 PolarHBondContact O-N 3.04Å; L74-K78 VanDerWaalsContact O-N 3.08Å; L74-L119 HydrophobicContact CD1-CD2 4.43Å; L74-L125 HydrophobicContact CD1-CD1 3.71Å
75S88.4Confident78.6Confident28 Ų2872.8 Ų72.820%0.19637%0.372CS..Hα-helixtrans-68.4-43.9175.867.70000111.1Y60 N72 A73 F77 K78 I79Y60-S75 PolarHBondContact OH-OG 3.37Å; N72-S75 PolarHBondContact O-N 3.31Å; N72-S75 VanDerWaalsContact O-N 3.13Å; N72-S75 PolarHBondContact O-OG 3.36Å; N72-S75 WeakPolarHBondContact OD1-CA 3.46Å; N72-S75 WeakPolarHBondContact OD1-CB 3.38Å; N72-S75 PolarHBondContact OD1-N 3.33Å; N72-S75 PolarHBondContact OD1-OG 2.96Å; A73-S75 PolarHBondContact O-N 3.17Å; S75-F77 VanDerWaalsContact C-N 3.31Å; S75-F77 PolarHBondContact O-N 3.48Å; S75-K78 PolarHBondContact O-N 3.05Å; S75-I79 WeakPolarHBondContact O-CG1 3.04Å; S75-I79 PolarHBondContact O-N 2.97Å
76I89.7Confident80.3Confident1 Ų166.7 Ų66.71%0.00534%0.344CS..Hα-helixtrans-60.3-44.8175.3-58.6174.2000109.4Y60 R71 N72 A73 K78 I79 A80 L98 I102 Y116Y60-I76 WeakPolarHBondContact OH-CG1 3.33Å; Y60-I76 PolarHBondContact OH-N 3.31Å; R71-I76 HydrophobicContact CB-CD1 3.97Å; R71-I76 HydrophobicContact CB-CG1 4.01Å; N72-I76 PolarHBondContact O-N 2.92Å; A73-I76 PolarHBondContact O-N 2.91Å; I76-K78 PolarHBondContact O-N 3.28Å; I76-I79 PolarHBondContact O-N 3.48Å; I76-A80 WeakPolarHBondContact O-CB 3.38Å; I76-A80 PolarHBondContact O-N 3.45Å; I76-L98 HydrophobicContact CG2-CD1 4.05Å; I76-I102 HydrophobicContact CG2-CG1 3.68Å; I76-Y116 HydrophobicContact CB-CD2 4.18Å; I76-Y116 HydrophobicContact CB-CE2 4.03Å; I76-Y116 HydrophobicContact CG2-CD2 3.93Å; I76-Y116 HydrophobicContact CG2-CE2 3.64Å
77F91.8Very high82.1Confident10 Ų1063.7 Ų63.74%0.04432%0.32CS..Hα-helixtrans-58-44.6177.4178.1-98.6000113A73 L74 S75 R81 Y116 L119 L125 P128 W129 Q132A73-F77 WeakPolarHBondContact O-CB 3.37Å; A73-F77 PolarHBondContact O-N 3.2Å; L74-F77 PolarHBondContact O-N 2.91Å; S75-F77 VanDerWaalsContact C-N 3.31Å; S75-F77 PolarHBondContact O-N 3.48Å; F77-R81 WeakPolarHBondContact O-CB 3.36Å; F77-R81 PolarHBondContact O-N 2.73Å; F77-Y116 HydrophobicContact CB-CE2 4.27Å; F77-L119 HydrophobicContact CB-CD1 3.61Å; F77-L119 HydrophobicContact CD2-CD1 4.04Å; F77-L119 HydrophobicContact CG-CD1 4Å; F77-L125 HydrophobicContact CE1-CD2 4.09Å; F77-P128 HydrophobicContact CZ-CB 3.84Å; F77-W129 HydrophobicContact CE2-CB 4.14Å; F77-Q132 HydrophobicContact CE2-CB 4.35Å; F77-Q132 PolarHBondContact O-NE2 3.41Å
78K91.4Very high83.9Confident127 Ų12766.5 Ų66.555%0.55231%0.311SS*.Hα-helixtrans-65-45.3178.4-74.2176.3-178.8-179.20112L74 S75 I76 R81 K82L74-K78 WeakPolarHBondContact O-CG 3.49Å; L74-K78 PolarHBondContact O-N 3.04Å; L74-K78 VanDerWaalsContact O-N 3.08Å; S75-K78 PolarHBondContact O-N 3.05Å; I76-K78 PolarHBondContact O-N 3.28Å; K78-R81 PolarHBondContact O-N 3.18Å; K78-K82 PolarHBondContact O-N 3.49Å
79I91.9Very high85.7Confident18 Ų1865.9 Ų65.99%0.09230%0.302CS..Hα-helixtrans-68.1-43.9179.4-67.9-68.7000111V57 Y60 F61 S75 I76 R81 K82 L83V57-I79 HydrophobicContact CG2-CG2 4.25Å; Y60-I79 HydrophobicContact CD1-CB 4.24Å; Y60-I79 HydrophobicContact CD1-CG1 3.89Å; Y60-I79 HydrophobicContact CD1-CG2 3.88Å; Y60-I79 HydrophobicContact CD2-CD1 4.09Å; Y60-I79 HydrophobicContact CD2-CG1 3.73Å; Y60-I79 HydrophobicContact CE1-CB 4.34Å; Y60-I79 HydrophobicContact CE1-CG1 4.12Å; Y60-I79 HydrophobicContact CE1-CG2 4.31Å; Y60-I79 HydrophobicContact CE2-CG1 3.97Å; Y60-I79 HydrophobicContact CG-CB 4.5Å; Y60-I79 HydrophobicContact CG-CD1 3.94Å; Y60-I79 HydrophobicContact CG-CG1 3.68Å; Y60-I79 HydrophobicContact CG-CG2 4.31Å; F61-I79 HydrophobicContact CE2-CG2 4.34Å; F61-I79 HydrophobicContact CZ-CG2 4.41Å; S75-I79 WeakPolarHBondContact O-CG1 3.04Å; S75-I79 PolarHBondContact O-N 2.97Å; I76-I79 PolarHBondContact O-N 3.48Å; I79-R81 VanDerWaalsContact C-N 3.28Å; I79-R81 PolarHBondContact O-N 3.44Å; I79-K82 PolarHBondContact O-N 3.21Å; I79-L83 PolarHBondContact O-N 3.37Å
80A92.6Very high87.2Confident0 Ų068.4 Ų68.40%031%0.308CS..Hα-helixtrans-55.9-43.8174.500000111.4I76 K82 L83 L84 L98I76-A80 WeakPolarHBondContact O-CB 3.38Å; I76-A80 PolarHBondContact O-N 3.45Å; A80-K82 VanDerWaalsContact C-N 3.35Å; A80-K82 PolarHBondContact O-N 2.94Å; A80-L83 PolarHBondContact O-N 2.9Å; A80-L84 WeakPolarHBondContact O-CB 3.37Å; A80-L84 WeakPolarHBondContact O-CD1 3.47Å; A80-L84 WeakPolarHBondContact O-CG 3.13Å; A80-L84 PolarHBondContact O-N 2.85Å; A80-L98 HydrophobicContact CB-CD1 3.86Å; A80-L98 HydrophobicContact CB-CD2 3.81Å; A80-L98 HydrophobicContact CB-CG 4.46Å
81R93.1Very high88.6Confident167 Ų16761 Ų6163%0.6328%0.276SS*.Hα-helixtrans-63.7-40.4179.7-173174.9170.8175.4-3111.8F77 K78 I79 F85F77-R81 WeakPolarHBondContact O-CB 3.36Å; F77-R81 PolarHBondContact O-N 2.73Å; K78-R81 PolarHBondContact O-N 3.18Å; I79-R81 VanDerWaalsContact C-N 3.28Å; I79-R81 PolarHBondContact O-N 3.44Å; R81-F85 WeakPolarHBondContact O-CB 3.33Å; R81-F85 PolarHBondContact O-N 3.4Å
82K92.1Very high89.4Confident89 Ų8962.5 Ų62.539%0.38728%0.284SS..Hα-helixtrans-65.6-45.3175.6-72.1-176.3176-173.80111.5I53 E56 K78 I79 A80 F85I53-K82 HydrophobicContact CG2-CB 3.92Å; E56-K82 WeakPolarHBondContact OE2-CD 3.43Å; E56-K82 IonicContact OE2-NZ 3.2Å; E56-K82 PolarHBondContact OE2-NZ 3.32Å; K78-K82 PolarHBondContact O-N 3.49Å; I79-K82 PolarHBondContact O-N 3.21Å; A80-K82 VanDerWaalsContact C-N 3.35Å; A80-K82 PolarHBondContact O-N 2.94Å; K82-F85 WeakPolarHBondContact O-CB 3.36Å; K82-F85 PolarHBondContact O-N 3.04Å
83L92.2Very high89.8Confident0 Ų065.9 Ų65.90%030%0.299CS..Hα-helixtrans-63-48178.6-177.960.1000111.6V57 I79 A80 F85 I86 Y87 D91 R94 L98V57-L83 HydrophobicContact CG1-CD1 4.39Å; V57-L83 HydrophobicContact CG2-CB 4.21Å; V57-L83 HydrophobicContact CG2-CD1 4.46Å; I79-L83 PolarHBondContact O-N 3.37Å; A80-L83 PolarHBondContact O-N 2.9Å; L83-F85 VanDerWaalsContact C-N 3.25Å; L83-F85 PolarHBondContact O-N 3.46Å; L83-I86 WeakPolarHBondContact O-CG1 3.37Å; L83-I86 PolarHBondContact O-N 3.44Å; L83-I86 VanDerWaalsContact O-N 3.14Å; L83-Y87 WeakPolarHBondContact O-CA 3.49Å; L83-Y87 WeakPolarHBondContact O-CB 3.42Å; L83-Y87 PolarHBondContact O-N 3.4Å; L83-D91 HydrophobicContact CD1-CB 4.41Å; L83-R94 HydrophobicContact CD1-CB 4.11Å; L83-R94 HydrophobicContact CD2-CB 4.18Å; L83-L98 HydrophobicContact CD2-CB 4.26Å; L83-L98 HydrophobicContact CD2-CD2 3.95Å
84L92.6Very high90.1Very high34 Ų3468.4 Ų68.418%0.17831%0.308CS..Hα-helixtrans-61.7-31.9179.3-68.4166.7000112.7A80 I86 F95 Q132 V136 I139A80-L84 WeakPolarHBondContact O-CB 3.37Å; A80-L84 WeakPolarHBondContact O-CD1 3.47Å; A80-L84 WeakPolarHBondContact O-CG 3.13Å; A80-L84 PolarHBondContact O-N 2.85Å; L84-I86 VanDerWaalsContact C-N 3.27Å; L84-I86 PolarHBondContact O-N 3.43Å; L84-F95 HydrophobicContact CD2-CE2 4.48Å; L84-Q132 HydrophobicContact CD1-CG 3.39Å; L84-V136 HydrophobicContact CD1-CG2 3.83Å; L84-V136 HydrophobicContact CD2-CG2 4.17Å; L84-V136 HydrophobicContact CG-CG2 4.49Å; L84-I139 HydrophobicContact CD2-CD1 3.33Å
85F91.4Very high90.4Very high156 Ų15665.1 Ų65.168%0.68429%0.29SS*.Hα-helixtrans-64.1-30.2177.2179.5-108.2000113.2L49 I53 R81 K82 L83L49-F85 HydrophobicContact CD2-CE1 4.37Å; I53-F85 HydrophobicContact CD1-CD1 4.27Å; R81-F85 WeakPolarHBondContact O-CB 3.33Å; R81-F85 PolarHBondContact O-N 3.4Å; K82-F85 WeakPolarHBondContact O-CB 3.36Å; K82-F85 PolarHBondContact O-N 3.04Å; L83-F85 VanDerWaalsContact C-N 3.25Å; L83-F85 PolarHBondContact O-N 3.46Å
86I91.6Very high90.7Very high9 Ų965.7 Ų65.75%0.04629%0.29CS..Hα-helixtrans-112.61.6-178.164.4156.2000114.1Q50 I53 R54 L83 L84 R88Q50-I86 HydrophobicContact CG-CB 4.2Å; Q50-I86 HydrophobicContact CG-CG2 3.96Å; I53-I86 HydrophobicContact CB-CD1 3.85Å; I53-I86 HydrophobicContact CD1-CG2 3.68Å; I53-I86 HydrophobicContact CG2-CD1 3.49Å; I53-I86 VanDerWaalsContact CG2-CD1 3.49Å; I53-I86 HydrophobicContact CG2-CG1 3.85Å; I53-I86 HydrophobicContact CG2-CG2 4.43Å; R54-I86 HydrophobicContact CG-CD1 3.65Å; L83-I86 WeakPolarHBondContact O-CG1 3.37Å; L83-I86 PolarHBondContact O-N 3.44Å; L83-I86 VanDerWaalsContact O-N 3.14Å; L84-I86 VanDerWaalsContact C-N 3.27Å; L84-I86 PolarHBondContact O-N 3.43Å; I86-R88 PolarHBondContact O-N 2.6Å
87Y91.2Very high90.7Very high51 Ų5169.4 Ų69.420%0.231%0.306CS..  trans-56.3129.4-166.5179.7-104.1000112.6L83 D91 F95 I139L83-Y87 WeakPolarHBondContact O-CA 3.49Å; L83-Y87 WeakPolarHBondContact O-CB 3.42Å; L83-Y87 PolarHBondContact O-N 3.4Å; Y87-D91 HydrophobicContact CD2-CB 4.08Å; Y87-D91 HydrophobicContact CE2-CB 4.28Å; Y87-F95 HydrophobicContact CD2-CB 4.47Å; Y87-F95 HydrophobicContact CD2-CD2 4.46Å; Y87-F95 HydrophobicContact CE2-CB 3.77Å; Y87-F95 HydrophobicContact CE2-CD2 4.16Å; Y87-F95 HydrophobicContact CE2-CG 4.05Å; Y87-I139 HydrophobicContact CD1-CD1 3.8Å; Y87-I139 HydrophobicContact CD1-CG1 4.28Å; Y87-I139 HydrophobicContact CD1-CG2 4.39Å; Y87-I139 HydrophobicContact CE1-CD1 4.05Å; Y87-I139 HydrophobicContact CE1-CG1 4.1Å; Y87-I139 HydrophobicContact CE1-CG2 3.55Å; Y87-I139 HydrophobicContact CE2-CG2 4.34Å; Y87-I139 HydrophobicContact CG-CD1 4.24Å; Y87-I139 WeakPolarHBondContact OH-CG2 3.4Å
88R87.3Confident90.8Very high123 Ų12369 Ų6946%0.46430%0.304SS..  trans-132.7165.7170.9-67.5-176.5176.6-178.7-1.2109.5I86 E90 D91I86-R88 PolarHBondContact O-N 2.6Å; R88-E90 PolarHBondContact O-N 3.46Å; R88-E90 VanDerWaalsContact O-N 3.09Å; R88-D91 PolarHBondContact N-OD2 3.01Å; R88-D91 WeakPolarHBondContact O-CB 3.31Å; R88-D91 PolarHBondContact O-N 3.11Å
89L82.3Confident90.9Very high115 Ų11562.9 Ų62.960%0.60228%0.278SS*.G310 helixtrans-57.5-23.7177.1-78.1161000113.7D91 K92L89-D91 PolarHBondContact O-N 2.96Å; L89-K92 VanDerWaalsContact CD2-CE 3.41Å; L89-K92 WeakPolarHBondContact O-CD 3.38Å; L89-K92 WeakPolarHBondContact O-CG 3.37Å
90E84.8Confident90.9Very high144 Ų14468.6 Ų68.667%0.67330%0.298SS*.G310 helixtrans-67.9-22.8173.2-64.3165.8-173.800112.9R54 R88 K92R54-E90 IonicContact NH2-OE2 3.09Å; R88-E90 PolarHBondContact O-N 3.46Å; R88-E90 VanDerWaalsContact O-N 3.09Å; E90-K92 VanDerWaalsContact C-N 3.29Å; E90-K92 PolarHBondContact O-N 2.85Å
91D89.6Confident90.8Very high1 Ų169 Ų691%0.00530%0.301CS..G310 helixtrans-90.914.9-175.4-63.7-65000112.9R54 L83 Y87 R88 L89 M93 R94 F95R54-D91 IonicContact CZ-OD1 2.77Å; R54-D91 IonicContact CZ-OD2 3.37Å; R54-D91 IonicContact NE-OD1 2.76Å; R54-D91 PolarHBondContact NE-OD1 3.27Å; R54-D91 IonicContact NE-OD2 2.78Å; R54-D91 PolarHBondContact NE-OD2 2.98Å; R54-D91 IonicContact NH2-OD1 3.79Å; R54-D91 IonicContact NH2-OD2 2.93Å; R54-D91 PolarHBondContact NH2-OD2 3.41Å; L83-D91 HydrophobicContact CD1-CB 4.41Å; Y87-D91 HydrophobicContact CD2-CB 4.08Å; Y87-D91 HydrophobicContact CE2-CB 4.28Å; R88-D91 PolarHBondContact N-OD2 3.01Å; R88-D91 WeakPolarHBondContact O-CB 3.31Å; R88-D91 PolarHBondContact O-N 3.11Å; L89-D91 PolarHBondContact O-N 2.96Å; D91-M93 VanDerWaalsContact C-N 3.34Å; D91-M93 PolarHBondContact O-N 3.25Å; D91-R94 WeakPolarHBondContact O-CB 3.23Å; D91-R94 PolarHBondContact O-N 2.81Å; D91-R94 VanDerWaalsContact O-N 3.09Å; D91-R94 IonicContact OD1-CZ 3.17Å; D91-R94 IonicContact OD1-NH1 2.61Å; D91-R94 PolarHBondContact OD1-NH1 3.14Å; D91-F95 PolarHBondContact O-N 2.82Å
92K88.8Confident90.7Very high85 Ų8561 Ų6137%0.3727%0.271SS..Hα-helixtrans-52-45.2-180-82.1171.1-173.5-169.80113.6L89 E90 R94 F95 E96 L143L89-K92 VanDerWaalsContact CD2-CE 3.41Å; L89-K92 WeakPolarHBondContact O-CD 3.38Å; L89-K92 WeakPolarHBondContact O-CG 3.37Å; E90-K92 VanDerWaalsContact C-N 3.29Å; E90-K92 PolarHBondContact O-N 2.85Å; K92-R94 PolarHBondContact O-N 3.34Å; K92-F95 WeakPolarHBondContact O-CB 3.45Å; K92-F95 PolarHBondContact O-N 3.43Å; K92-E96 PolarHBondContact O-N 3.39Å; K92-L143 HydrophobicContact CD-CD2 4.04Å; K92-L143 HydrophobicContact CG-CD2 3.72Å
93M90Very high90.7Very high152 Ų15257.6 Ų57.675%0.74926%0.257SS*.Hα-helixtrans-65.1-38.5178.7-71.4-173176.300112.4D91 F95 E96 K97D91-M93 VanDerWaalsContact C-N 3.34Å; D91-M93 PolarHBondContact O-N 3.25Å; M93-F95 VanDerWaalsContact C-N 3.33Å; M93-E96 WeakPolarHBondContact O-CB 3.42Å; M93-E96 PolarHBondContact O-N 3.5Å; M93-K97 PolarHBondContact O-N 3.39Å; M93-K97 VanDerWaalsContact O-N 3.09Å
94R92.4Very high90.5Very high57 Ų5760.1 Ų60.122%0.21528%0.278CS..Hα-helixtrans-66-39.8175.4-66.6179.9179.986.515.4110.9V57 D58 L83 D91 K92 K97 L98V57-R94 HydrophobicContact CG1-CB 4.21Å; V57-R94 HydrophobicContact CG1-CG 4.33Å; D58-R94 WeakPolarHBondContact OD1-CD 3.48Å; D58-R94 IonicContact OD1-CZ 2.76Å; D58-R94 IonicContact OD1-NE 3.33Å; D58-R94 PolarHBondContact OD1-NE 3.23Å; D58-R94 IonicContact OD1-NH2 2.61Å; D58-R94 PolarHBondContact OD1-NH2 3.45Å; D58-R94 IonicContact OD2-CZ 3.84Å; D58-R94 IonicContact OD2-NE 3.85Å; D58-R94 PolarHBondContact OD2-NE 2.98Å; D58-R94 IonicContact OD2-NH2 3.03Å; D58-R94 PolarHBondContact OD2-NH2 2.88Å; L83-R94 HydrophobicContact CD1-CB 4.11Å; L83-R94 HydrophobicContact CD2-CB 4.18Å; D91-R94 WeakPolarHBondContact O-CB 3.23Å; D91-R94 PolarHBondContact O-N 2.81Å; D91-R94 VanDerWaalsContact O-N 3.09Å; D91-R94 IonicContact OD1-CZ 3.17Å; D91-R94 IonicContact OD1-NH1 2.61Å; D91-R94 PolarHBondContact OD1-NH1 3.14Å; K92-R94 PolarHBondContact O-N 3.34Å; R94-K97 PolarHBondContact O-N 3.02Å; R94-L98 PolarHBondContact O-N 3.11Å
95F94.4Very high90.2Very high0 Ų058.8 Ų58.80%027%0.271CS..Hα-helixtrans-66.1-39.6176.4-173.9-97.2000112.1L84 Y87 D91 K92 M93 L98 C99 V136 I139 L143 Y161L84-F95 HydrophobicContact CD2-CE2 4.48Å; Y87-F95 HydrophobicContact CD2-CB 4.47Å; Y87-F95 HydrophobicContact CD2-CD2 4.46Å; Y87-F95 HydrophobicContact CE2-CB 3.77Å; Y87-F95 HydrophobicContact CE2-CD2 4.16Å; Y87-F95 HydrophobicContact CE2-CG 4.05Å; D91-F95 PolarHBondContact O-N 2.82Å; K92-F95 WeakPolarHBondContact O-CB 3.45Å; K92-F95 PolarHBondContact O-N 3.43Å; M93-F95 VanDerWaalsContact C-N 3.33Å; F95-L98 WeakPolarHBondContact O-CB 3.49Å; F95-L98 PolarHBondContact O-N 2.84Å; F95-C99 WeakPolarHBondContact CE1-SG 3.42Å; F95-C99 PolarHBondContact O-N 3.44Å; F95-C99 PolarHBondContact O-SG 3.32Å; F95-V136 HydrophobicContact CE2-CG1 4.25Å; F95-V136 HydrophobicContact CZ-CG1 4Å; F95-V136 WeakPolarHBondContact CZ-O 3.32Å; F95-I139 HydrophobicContact CD1-CG2 4Å; F95-I139 HydrophobicContact CD2-CG2 4.05Å; F95-I139 HydrophobicContact CE1-CB 4.25Å; F95-I139 HydrophobicContact CE1-CG2 3.61Å; F95-I139 HydrophobicContact CE2-CB 3.93Å; F95-I139 HydrophobicContact CE2-CD1 4.1Å; F95-I139 HydrophobicContact CE2-CG2 3.67Å; F95-I139 HydrophobicContact CG-CG2 4.21Å; F95-I139 HydrophobicContact CZ-CB 3.65Å; F95-I139 HydrophobicContact CZ-CG2 3.44Å; F95-I139 VanDerWaalsContact CZ-CG2 3.44Å; F95-L143 HydrophobicContact CD1-CD1 3.56Å; F95-L143 HydrophobicContact CE1-CD1 3.87Å; F95-L143 HydrophobicContact CG-CD1 4.5Å; F95-Y161 HydrophobicContact CD1-CE1 4.09Å; F95-Y161 AromaticContact CE1-CE1 3.98Å; F95-Y161 HydrophobicContact CE1-CE1 3.98Å
96E92.9Very high90Very high40 Ų4052 Ų5219%0.18724%0.242CC..Hα-helixtrans-58.2-49.1172.3-172.9-166.316200111.9K92 M93 L98 C99 R100 L157 L160K92-E96 PolarHBondContact O-N 3.39Å; M93-E96 WeakPolarHBondContact O-CB 3.42Å; M93-E96 PolarHBondContact O-N 3.5Å; E96-L98 PolarHBondContact O-N 2.86Å; E96-C99 PolarHBondContact O-N 2.71Å; E96-R100 WeakPolarHBondContact O-CG 3.41Å; E96-R100 PolarHBondContact O-N 3.4Å; E96-R100 IonicContact OE1-CZ 2.86Å; E96-R100 IonicContact OE1-NE 3.44Å; E96-R100 PolarHBondContact OE1-NE 3.07Å; E96-R100 IonicContact OE1-NH2 2.71Å; E96-R100 PolarHBondContact OE1-NH2 2.7Å; E96-L157 HydrophobicContact CG-CD2 3.65Å; E96-L160 HydrophobicContact CG-CD2 3.59Å
97K91.4Very high89.5Confident79 Ų7958 Ų5834%0.34327%0.269SS..Hα-helixtrans-59-37.5175.4-68.1-164-177.2-157.60111.8F61 E65 M93 R94 A101F61-K97 HydrophobicContact CB-CD 3.82Å; F61-K97 HydrophobicContact CD1-CB 3.89Å; F61-K97 HydrophobicContact CD2-CB 4.09Å; F61-K97 HydrophobicContact CE1-CB 4.14Å; F61-K97 HydrophobicContact CE2-CB 4.28Å; F61-K97 HydrophobicContact CG-CB 3.92Å; F61-K97 HydrophobicContact CG-CD 4.14Å; F61-K97 HydrophobicContact CZ-CB 4.35Å; E65-K97 IonicContact OE1-NZ 3.88Å; E65-K97 PolarHBondContact OE1-NZ 3.31Å; M93-K97 PolarHBondContact O-N 3.39Å; M93-K97 VanDerWaalsContact O-N 3.09Å; R94-K97 PolarHBondContact O-N 3.02Å; K97-A101 WeakPolarHBondContact O-CB 3.46Å; K97-A101 PolarHBondContact O-N 3.08Å
98L93.1Very high89.1Confident1 Ų157.6 Ų57.61%0.00527%0.273CS..Hα-helixtrans-63.6-48.5174.5176.764.3000112.2F61 I76 A80 L83 R94 F95 E96 R100 A101 I102F61-L98 HydrophobicContact CE2-CB 4.44Å; F61-L98 HydrophobicContact CZ-CB 3.87Å; F61-L98 HydrophobicContact CZ-CD1 4.17Å; I76-L98 HydrophobicContact CG2-CD1 4.05Å; A80-L98 HydrophobicContact CB-CD1 3.86Å; A80-L98 HydrophobicContact CB-CD2 3.81Å; A80-L98 HydrophobicContact CB-CG 4.46Å; L83-L98 HydrophobicContact CD2-CB 4.26Å; L83-L98 HydrophobicContact CD2-CD2 3.95Å; R94-L98 PolarHBondContact O-N 3.11Å; F95-L98 WeakPolarHBondContact O-CB 3.49Å; F95-L98 PolarHBondContact O-N 2.84Å; E96-L98 PolarHBondContact O-N 2.86Å; L98-R100 VanDerWaalsContact C-N 3.34Å; L98-R100 PolarHBondContact O-N 2.81Å; L98-A101 PolarHBondContact O-N 2.88Å; L98-I102 HydrophobicContact CD1-CD1 4.04Å; L98-I102 HydrophobicContact CD1-CG1 4.22Å; L98-I102 HydrophobicContact CG-CD1 3.97Å; L98-I102 WeakPolarHBondContact O-CG1 3.19Å; L98-I102 PolarHBondContact O-N 3.08Å
99C93.8Very high88.6Confident0 Ų058.4 Ų58.40%028%0.281CS..Hα-helixtrans-58.6-45.7177.2-70.10000111.6F95 E96 A101 I102 L103 L160 M164F95-C99 WeakPolarHBondContact CE1-SG 3.42Å; F95-C99 PolarHBondContact O-N 3.44Å; F95-C99 PolarHBondContact O-SG 3.32Å; E96-C99 PolarHBondContact O-N 2.71Å; C99-A101 VanDerWaalsContact C-N 3.32Å; C99-A101 PolarHBondContact O-N 3.43Å; C99-I102 PolarHBondContact O-N 3.32Å; C99-L103 PolarHBondContact O-N 2.85Å; C99-L160 HydrophobicContact CB-CD1 4.4Å; C99-L160 HydrophobicContact CB-CD2 4.13Å; C99-L160 HydrophobicContact CB-CG 4.23Å; C99-M164 HydrophobicContact CB-CG 3.98Å; C99-M164 HydrophobicContact CB-SD 4.23Å
100R92.4Very high88Confident138 Ų13859.9 Ų59.952%0.52129%0.29SS..Hα-helixtrans-59.7-41.8175.8-68.8-178.1-173.9-161.31.6111.8E96 L98 L103 A104 L160E96-R100 WeakPolarHBondContact O-CG 3.41Å; E96-R100 PolarHBondContact O-N 3.4Å; E96-R100 IonicContact OE1-CZ 2.86Å; E96-R100 IonicContact OE1-NE 3.44Å; E96-R100 PolarHBondContact OE1-NE 3.07Å; E96-R100 IonicContact OE1-NH2 2.71Å; E96-R100 PolarHBondContact OE1-NH2 2.7Å; L98-R100 VanDerWaalsContact C-N 3.34Å; L98-R100 PolarHBondContact O-N 2.81Å; R100-L103 PolarHBondContact O-N 2.71Å; R100-A104 WeakPolarHBondContact O-CB 3.48Å; R100-A104 PolarHBondContact O-N 2.96Å; R100-L160 HydrophobicContact CG-CD1 3.73Å; R100-L160 HydrophobicContact CG-CD2 3.95Å
101A89.8Confident87.7Confident7 Ų756.2 Ų56.26%0.05827%0.273CS..Hα-helixtrans-65.7-39.7177.500000112.7F61 K97 L98 C99 S105F61-A101 HydrophobicContact CE1-CB 3.91Å; K97-A101 WeakPolarHBondContact O-CB 3.46Å; K97-A101 PolarHBondContact O-N 3.08Å; L98-A101 PolarHBondContact O-N 2.88Å; C99-A101 VanDerWaalsContact C-N 3.32Å; C99-A101 PolarHBondContact O-N 3.43Å; A101-S105 WeakPolarHBondContact O-CB 3.47Å; A101-S105 PolarHBondContact O-N 3.32Å; A101-S105 VanDerWaalsContact O-N 3.08Å
102I91.1Very high86.9Confident0 Ų059.5 Ų59.50%029%0.294CS..Hα-helixtrans-64.4-48.4175.5-67.2168.6000110.1I76 L98 C99 S105 M106 Y116 V136 M164 F168I76-I102 HydrophobicContact CG2-CG1 3.68Å; L98-I102 HydrophobicContact CD1-CD1 4.04Å; L98-I102 HydrophobicContact CD1-CG1 4.22Å; L98-I102 HydrophobicContact CG-CD1 3.97Å; L98-I102 WeakPolarHBondContact O-CG1 3.19Å; L98-I102 PolarHBondContact O-N 3.08Å; C99-I102 PolarHBondContact O-N 3.32Å; I102-S105 WeakPolarHBondContact O-CB 3.33Å; I102-S105 PolarHBondContact O-N 3.41Å; I102-S105 PolarHBondContact O-OG 3.38Å; I102-M106 WeakPolarHBondContact O-CG 3.42Å; I102-M106 PolarHBondContact O-N 3.49Å; I102-Y116 HydrophobicContact CD1-CE1 4.45Å; I102-Y116 HydrophobicContact CG1-CD2 4.39Å; I102-Y116 HydrophobicContact CG1-CE2 4.35Å; I102-Y116 HydrophobicContact CG2-CD1 3.94Å; I102-Y116 HydrophobicContact CG2-CG 3.97Å; I102-V136 HydrophobicContact CD1-CG1 4.48Å; I102-M164 HydrophobicContact CB-CE 4.37Å; I102-M164 HydrophobicContact CB-SD 4.28Å; I102-M164 HydrophobicContact CD1-CE 4.3Å; I102-M164 HydrophobicContact CG2-CE 4Å; I102-M164 HydrophobicContact CG2-SD 4.14Å; I102-F168 HydrophobicContact CG2-CE2 3.52Å; I102-F168 HydrophobicContact CG2-CZ 3.45Å; I102-F168 VanDerWaalsContact CG2-CZ 3.45Å
103L90.9Very high86.3Confident17 Ų1764.5 Ų64.59%0.08932%0.316CS..Hα-helixtrans-64.2-46.1178.8-70.8177.9000112.5C99 R100 S105 M106 E107 L160 T163 M164 T167C99-L103 PolarHBondContact O-N 2.85Å; R100-L103 PolarHBondContact O-N 2.71Å; L103-S105 PolarHBondContact O-N 2.94Å; L103-M106 WeakPolarHBondContact O-CA 3.46Å; L103-M106 WeakPolarHBondContact O-CB 3.47Å; L103-M106 PolarHBondContact O-N 3.11Å; L103-E107 PolarHBondContact O-N 3.14Å; L103-L160 HydrophobicContact CD1-CD1 3.64Å; L103-T163 HydrophobicContact CD1-CG2 3.85Å; L103-T163 HydrophobicContact CD2-CG2 4.03Å; L103-M164 HydrophobicContact CD1-CG 4.05Å; L103-M164 HydrophobicContact CD1-SD 4.13Å; L103-M164 HydrophobicContact CD2-CG 4.25Å; L103-M164 HydrophobicContact CD2-SD 3.62Å; L103-M164 HydrophobicContact CG-CG 4.09Å; L103-M164 HydrophobicContact CG-SD 3.49Å; L103-M164 WeakPolarHBondContact CG-SD 3.5Å; L103-T167 HydrophobicContact CD2-CG2 4.44Å
104A88.1Confident85.9Confident53 Ų5358 Ų5844%0.43829%0.285SS..Hα-helixtrans-57.1-36.1176.300000111.4R100 M106 E107 V108R100-A104 WeakPolarHBondContact O-CB 3.48Å; R100-A104 PolarHBondContact O-N 2.96Å; A104-M106 PolarHBondContact O-N 3.31Å; A104-E107 PolarHBondContact O-N 3.04Å; A104-V108 WeakPolarHBondContact O-CG2 3.37Å
105S87.9Confident85.6Confident6 Ų656.3 Ų56.34%0.04228%0.278CS..Hα-helixtrans-63.2-27.8174.984.30000113A101 I102 L103 V114 Y116A101-S105 WeakPolarHBondContact O-CB 3.47Å; A101-S105 PolarHBondContact O-N 3.32Å; A101-S105 VanDerWaalsContact O-N 3.08Å; I102-S105 WeakPolarHBondContact O-CB 3.33Å; I102-S105 PolarHBondContact O-N 3.41Å; I102-S105 PolarHBondContact O-OG 3.38Å; L103-S105 PolarHBondContact O-N 2.94Å; S105-V114 WeakPolarHBondContact CB-O 3.46Å; S105-Y116 PolarHBondContact OG-N 3.23Å
106M85.8Confident85.2Confident15 Ų1556.3 Ų56.37%0.07428%0.278CS..Hα-helixtrans-81.6-17.1179.7-62.5-63.6-66.200113I102 L103 A104 W115 V117 T167 F168 W174I102-M106 WeakPolarHBondContact O-CG 3.42Å; I102-M106 PolarHBondContact O-N 3.49Å; L103-M106 WeakPolarHBondContact O-CA 3.46Å; L103-M106 WeakPolarHBondContact O-CB 3.47Å; L103-M106 PolarHBondContact O-N 3.11Å; A104-M106 PolarHBondContact O-N 3.31Å; M106-W115 HydrophobicContact SD-CB 4.29Å; M106-V117 HydrophobicContact CE-CB 3.93Å; M106-V117 HydrophobicContact CE-CG2 3.55Å; M106-V117 HydrophobicContact SD-CB 4.17Å; M106-V117 HydrophobicContact SD-CG2 4.04Å; M106-T167 HydrophobicContact CE-CG2 4.18Å; M106-T167 HydrophobicContact CG-CG2 4.25Å; M106-F168 HydrophobicContact CG-CZ 4.35Å; M106-F168 HydrophobicContact SD-CZ 4.37Å; M106-W174 HydrophobicContact CE-CG 4.34Å
107E82.6Confident85Confident133 Ų13354.5 Ų54.562%0.62127%0.27SS*.Hα-helixtrans-92.9-9.5-178.1-67.3-178.9172.500113.9L103 A104 E109 R175L103-E107 PolarHBondContact O-N 3.14Å; A104-E107 PolarHBondContact O-N 3.04Å; E107-E109 PolarHBondContact O-N 3.49Å; E107-R175 VanDerWaalsContact C-NH1 3.31Å; E107-R175 VanDerWaalsContact O-CZ 3.23Å; E107-R175 PolarHBondContact O-NH1 2.94Å; E107-R175 PolarHBondContact O-NH2 3.48Å
108V82.7Confident84.8Confident44 Ų4451.9 Ų51.927%0.26726%0.261SS..  trans-67131.2178.5-176.70000110.8A104 E111 V114 W115 R175A104-V108 WeakPolarHBondContact O-CG2 3.37Å; V108-E111 HydrophobicContact CG1-CB 4.25Å; V108-V114 HydrophobicContact CB-CG1 4.23Å; V108-V114 HydrophobicContact CG2-CG1 3.95Å; V108-W115 PolarHBondContact O-NE1 3.24Å; V108-R175 VanDerWaalsContact C-NH1 3.32Å; V108-R175 PolarHBondContact O-NH1 2.97Å; V108-R175 VanDerWaalsContact O-NH1 3.14Å
109E75.8Confident84.5Confident139 Ų13952.6 Ų52.665%0.6527%0.265SS*.SBendtrans-81.3143.3177.9-70.8-173.2174.500112.3E107 E111 R175E107-E109 PolarHBondContact O-N 3.49Å; E109-E111 PolarHBondContact O-N 3.47Å; E109-R175 VanDerWaalsContact CG-NH1 3.32Å
110N70.4Confident84.1Confident147 Ų14752.8 Ų52.879%0.78627%0.267SS*.SBendtrans56.818.3167.6-60.1-33.1000117.8
111E78.3Confident83.7Confident67 Ų6750.2 Ų50.231%0.31326%0.263SS..  trans-127.183.5177.6-69.9-176.8-160.700112.8K70 V108 E109 K113 V114K70-E111 IonicContact NZ-OE1 2.69Å; K70-E111 PolarHBondContact NZ-OE1 3.26Å; K70-E111 IonicContact NZ-OE2 3.81Å; V108-E111 HydrophobicContact CG1-CB 4.25Å; E109-E111 PolarHBondContact O-N 3.47Å; E111-K113 PolarHBondContact O-N 3.47Å; E111-K113 VanDerWaalsContact O-N 3.07Å; E111-V114 HydrophobicContact CB-CB 4.3Å; E111-V114 HydrophobicContact CB-CG2 3.93Å; E111-V114 PolarHBondContact O-N 2.9Å; E111-V114 VanDerWaalsContact OE2-CG2 3.3Å; E111-V114 WeakPolarHBondContact OE2-CG2 3.26Å
112P71.7Confident83.4Confident70 Ų7051.9 Ų51.946%0.45528%0.275SS..THydrogen-bonded Turntrans-59.4-26.4-177.4-23.332.2000114.2V114 W115 S118P112-V114 PolarHBondContact O-N 3.26Å; P112-W115 HydrophobicContact CB-CE3 4.08Å; P112-W115 HydrophobicContact CB-CZ3 4.01Å; P112-W115 HydrophobicContact CG-CH2 4.36Å; P112-W115 HydrophobicContact CG-CZ3 4.14Å; P112-S118 WeakPolarHBondContact O-CB 3.32Å; P112-S118 PolarHBondContact O-OG 2.88Å
113K75.9Confident83Confident190 Ų19061.5 Ų61.583%0.82632%0.316SS*.THydrogen-bonded Turntrans-71.6-13.8179.7-65.9-178.2179.8177.20113.6E111E111-K113 PolarHBondContact O-N 3.47Å; E111-K113 VanDerWaalsContact O-N 3.07Å
114V81.8Confident82.8Confident14 Ų1467.4 Ų67.49%0.08535%0.348CS..THydrogen-bonded Turntrans-91.5-32.3-179.8176.30000111.4S105 V108 E111 P112 Y116S105-V114 WeakPolarHBondContact CB-O 3.46Å; V108-V114 HydrophobicContact CB-CG1 4.23Å; V108-V114 HydrophobicContact CG2-CG1 3.95Å; E111-V114 HydrophobicContact CB-CB 4.3Å; E111-V114 HydrophobicContact CB-CG2 3.93Å; E111-V114 PolarHBondContact O-N 2.9Å; E111-V114 VanDerWaalsContact OE2-CG2 3.3Å; E111-V114 WeakPolarHBondContact OE2-CG2 3.26Å; P112-V114 PolarHBondContact O-N 3.26Å; V114-Y116 PolarHBondContact O-N 3.44Å
115W85.8Confident82.8Confident23 Ų2366.8 Ų66.89%0.08734%0.337CS..  trans-62.1125.7-178.5-57.3-21.3000111.5A73 M106 V108 P112 V117 S118 R175 I176A73-W115 WeakPolarHBondContact CB-O 3.34Å; M106-W115 HydrophobicContact SD-CB 4.29Å; V108-W115 PolarHBondContact O-NE1 3.24Å; P112-W115 HydrophobicContact CB-CE3 4.08Å; P112-W115 HydrophobicContact CB-CZ3 4.01Å; P112-W115 HydrophobicContact CG-CH2 4.36Å; P112-W115 HydrophobicContact CG-CZ3 4.14Å; W115-V117 PolarHBondContact O-N 2.94Å; W115-S118 VanDerWaalsContact O-CB 3.32Å; W115-S118 WeakPolarHBondContact O-CB 3.43Å; W115-S118 PolarHBondContact O-N 3.42Å; W115-S118 PolarHBondContact O-OG 3.42Å; W115-R175 HydrophobicContact CH2-CB 3.76Å; W115-R175 HydrophobicContact CZ2-CB 3.66Å; W115-R175 HydrophobicContact CZ3-CB 4.32Å; W115-I176 HydrophobicContact CE3-CB 3.76Å; W115-I176 HydrophobicContact CE3-CD1 4.23Å; W115-I176 HydrophobicContact CE3-CG1 4.09Å; W115-I176 VanDerWaalsContact CZ3-CA 3.48Å; W115-I176 HydrophobicContact CZ3-CB 3.7Å; W115-I176 HydrophobicContact CZ3-CG1 3.95Å
116Y87.8Confident82.8Confident0 Ų068.3 Ų68.30%035%0.346CS..G310 helixtrans-57.7-34.9179.4-161.6-108.2000113.4I76 F77 I102 S105 V114 S118 L119 W129 Q132 I133 F168I76-Y116 HydrophobicContact CB-CD2 4.18Å; I76-Y116 HydrophobicContact CB-CE2 4.03Å; I76-Y116 HydrophobicContact CG2-CD2 3.93Å; I76-Y116 HydrophobicContact CG2-CE2 3.64Å; F77-Y116 HydrophobicContact CB-CE2 4.27Å; I102-Y116 HydrophobicContact CD1-CE1 4.45Å; I102-Y116 HydrophobicContact CG1-CD2 4.39Å; I102-Y116 HydrophobicContact CG1-CE2 4.35Å; I102-Y116 HydrophobicContact CG2-CD1 3.94Å; I102-Y116 HydrophobicContact CG2-CG 3.97Å; S105-Y116 PolarHBondContact OG-N 3.23Å; V114-Y116 PolarHBondContact O-N 3.44Å; Y116-S118 VanDerWaalsContact C-N 3.26Å; Y116-S118 PolarHBondContact O-N 3.41Å; Y116-L119 HydrophobicContact CD2-CD1 4.29Å; Y116-L119 HydrophobicContact CE2-CD1 4.22Å; Y116-L119 PolarHBondContact O-N 2.87Å; Y116-W129 HydrophobicContact CD1-CZ2 4.48Å; Y116-W129 AromaticContact CD1-NE1 3.32Å; Y116-W129 VanDerWaalsContact CD1-NE1 3.32Å; Y116-W129 AromaticContact CE1-CD1 3.8Å; Y116-W129 AromaticContact CE1-NE1 3.27Å; Y116-W129 VanDerWaalsContact CE1-NE1 3.27Å; Y116-W129 PolarHBondContact O-NE1 2.9Å; Y116-W129 VanDerWaalsContact O-NE1 3.09Å; Y116-Q132 PolarHBondContact OH-OE1 3.37Å; Y116-I133 HydrophobicContact CE1-CD1 4.21Å; Y116-F168 AromaticContact CD1-CE1 4Å; Y116-F168 HydrophobicContact CD1-CE1 4Å; Y116-F168 AromaticContact CD1-CZ 3.88Å; Y116-F168 HydrophobicContact CD1-CZ 3.88Å
117V88.3Confident83Confident1 Ų174.3 Ų74.31%0.00638%0.377CS..G310 helixtrans-62-27.8175.9154.30000113.2M106 W115 L119 A120 W129 F168 W174 I176M106-V117 HydrophobicContact CE-CB 3.93Å; M106-V117 HydrophobicContact CE-CG2 3.55Å; M106-V117 HydrophobicContact SD-CB 4.17Å; M106-V117 HydrophobicContact SD-CG2 4.04Å; W115-V117 PolarHBondContact O-N 2.94Å; V117-L119 PolarHBondContact O-N 3.43Å; V117-L119 VanDerWaalsContact O-N 3.1Å; V117-A120 WeakPolarHBondContact O-CB 3.31Å; V117-A120 PolarHBondContact O-N 2.86Å; V117-W129 HydrophobicContact CG2-CH2 4.49Å; V117-W129 HydrophobicContact CG2-CZ2 4.15Å; V117-F168 HydrophobicContact CG2-CD1 4.08Å; V117-F168 HydrophobicContact CG2-CE1 3.66Å; V117-W174 HydrophobicContact CB-CD2 4.43Å; V117-W174 HydrophobicContact CG1-CD2 3.88Å; V117-W174 HydrophobicContact CG1-CE3 3.74Å; V117-W174 HydrophobicContact CG1-CG 4.24Å; V117-W174 HydrophobicContact CG1-CZ3 4.26Å; V117-W174 HydrophobicContact CG2-CD2 3.71Å; V117-W174 HydrophobicContact CG2-CE3 4.25Å; V117-W174 HydrophobicContact CG2-CG 4.02Å; V117-W174 HydrophobicContact CG2-CH2 4.48Å; V117-W174 HydrophobicContact CG2-CZ2 3.99Å; V117-I176 HydrophobicContact CG1-CG2 3.81Å
118S86.5Confident83.5Confident24 Ų2470.5 Ų70.517%0.16836%0.364CS..G310 helixtrans-63.1-21.7-177.7-590000113.4P112 W115 Y116 A120 L121 I176P112-S118 WeakPolarHBondContact O-CB 3.32Å; P112-S118 PolarHBondContact O-OG 2.88Å; W115-S118 VanDerWaalsContact O-CB 3.32Å; W115-S118 WeakPolarHBondContact O-CB 3.43Å; W115-S118 PolarHBondContact O-N 3.42Å; W115-S118 PolarHBondContact O-OG 3.42Å; Y116-S118 VanDerWaalsContact C-N 3.26Å; Y116-S118 PolarHBondContact O-N 3.41Å; S118-A120 PolarHBondContact O-N 3.05Å; S118-L121 PolarHBondContact O-N 3.35Å; S118-L121 VanDerWaalsContact O-N 3.17Å; S118-I176 WeakPolarHBondContact OG-CD1 3.5Å
119L87Confident84Confident16 Ų1668.4 Ų68.48%0.08435%0.351CS..G310 helixtrans-64.6-25.2172.4-61.2174.3000112.5A73 L74 F77 Y116 V117 L121 S122 L125 W129A73-L119 HydrophobicContact CB-CD1 4.03Å; A73-L119 HydrophobicContact CB-CD2 4.12Å; A73-L119 HydrophobicContact CB-CG 3.89Å; L74-L119 HydrophobicContact CD1-CD2 4.43Å; F77-L119 HydrophobicContact CB-CD1 3.61Å; F77-L119 HydrophobicContact CD2-CD1 4.04Å; F77-L119 HydrophobicContact CG-CD1 4Å; Y116-L119 HydrophobicContact CD2-CD1 4.29Å; Y116-L119 HydrophobicContact CE2-CD1 4.22Å; Y116-L119 PolarHBondContact O-N 2.87Å; V117-L119 PolarHBondContact O-N 3.43Å; V117-L119 VanDerWaalsContact O-N 3.1Å; L119-L121 PolarHBondContact O-N 3.02Å; L119-S122 PolarHBondContact O-N 3.06Å; L119-L125 HydrophobicContact CD2-CD1 3.97Å; L119-W129 HydrophobicContact CB-CB 4.48Å; L119-W129 HydrophobicContact CB-CG 4.09Å
120A85Confident84.9Confident5 Ų563.4 Ų63.44%0.04133%0.329CS..G310 helixtrans-66.2-22.2175.300000112.5V117 S118 T126 W129V117-A120 WeakPolarHBondContact O-CB 3.31Å; V117-A120 PolarHBondContact O-N 2.86Å; S118-A120 PolarHBondContact O-N 3.05Å; A120-T126 WeakPolarHBondContact O-CG2 3.4Å; A120-T126 PolarHBondContact O-OG1 3.29Å; A120-W129 HydrophobicContact CB-CD2 4.1Å; A120-W129 HydrophobicContact CB-CE3 3.64Å; A120-W129 HydrophobicContact CB-CH2 3.96Å; A120-W129 HydrophobicContact CB-CZ2 4.37Å; A120-W129 HydrophobicContact CB-CZ3 3.57Å
121L83.9Confident85.9Confident83 Ų8363.2 Ų63.244%0.43532%0.321SS..G310 helixtrans-86.8-6.7177.9-58.6-177.8000113.4S118 L119 I176 L184 L188S118-L121 PolarHBondContact O-N 3.35Å; S118-L121 VanDerWaalsContact O-N 3.17Å; L119-L121 PolarHBondContact O-N 3.02Å; L121-I176 HydrophobicContact CD1-CD1 3.37Å; L121-I176 HydrophobicContact CD1-CG1 4.22Å; L121-I176 HydrophobicContact CG-CD1 4.33Å; L121-L184 HydrophobicContact CD1-CD1 4.22Å; L121-L184 HydrophobicContact CD2-CD1 4.18Å; L121-L188 HydrophobicContact CD2-CD2 4.12Å
122S84.9Confident86.7Confident43 Ų4360.5 Ų60.530%0.30131%0.308SS..SBendtrans-87.8122.6179.8171.90000111.3L119 D124 L125 T126L119-S122 PolarHBondContact O-N 3.06Å; S122-D124 PolarHBondContact O-N 2.91Å; S122-D124 VanDerWaalsContact O-N 3.07Å; S122-L125 PolarHBondContact O-N 2.95Å; S122-T126 PolarHBondContact O-N 3.14Å; S122-T126 PolarHBondContact O-OG1 3.18Å
123K82Confident87.8Confident202 Ų20257.2 Ų57.288%0.87829%0.287SS*.THydrogen-bonded Turntrans-49.4-38.1-178.6-69.1-174.4177.7-178.50113.9
124D86.6Confident88.7Confident140 Ų14049.9 Ų49.975%0.74926%0.255SS*.THydrogen-bonded Turntrans-86.8-22.8-176.6-55.7-39.8000113.4S122S122-D124 PolarHBondContact O-N 2.91Å; S122-D124 VanDerWaalsContact O-N 3.07Å
125L88.8Confident89.3Confident40 Ų4051.8 Ų51.821%0.20927%0.265CS..THydrogen-bonded Turntrans-108.3-13.6-171-61.8176000113.8L74 F77 L119 S122 I127 P128 W129L74-L125 HydrophobicContact CD1-CD1 3.71Å; F77-L125 HydrophobicContact CE1-CD2 4.09Å; L119-L125 HydrophobicContact CD2-CD1 3.97Å; S122-L125 PolarHBondContact O-N 2.95Å; L125-I127 PolarHBondContact O-N 3.37Å; L125-P128 WeakPolarHBondContact O-CD 3.23Å; L125-W129 WeakPolarHBondContact O-CB 3.37Å; L125-W129 PolarHBondContact O-N 3.37Å
126T88.2Confident89.8Confident39 Ų3950.7 Ų50.724%0.23926%0.261CS..Hα-helixtrans-54.7-51.6-178.2-54.20000112.9A120 S122 W129 L130A120-T126 WeakPolarHBondContact O-CG2 3.4Å; A120-T126 PolarHBondContact O-OG1 3.29Å; S122-T126 PolarHBondContact O-N 3.14Å; S122-T126 PolarHBondContact O-OG1 3.18Å; T126-W129 PolarHBondContact O-N 2.89Å; T126-L130 VanDerWaalsContact O-CB 3.31Å; T126-L130 WeakPolarHBondContact O-CB 3.47Å; T126-L130 PolarHBondContact O-N 2.94Å
127I90.2Very high90.1Very high141 Ų14150.7 Ų50.772%0.72326%0.261SS*.Hα-helixtrans-68.7-49.2-177.6-60171.9000111.4L125 W129 L130 K131L125-I127 PolarHBondContact O-N 3.37Å; I127-W129 VanDerWaalsContact C-N 3.31Å; I127-W129 PolarHBondContact O-N 3.45Å; I127-L130 PolarHBondContact O-N 2.96Å; I127-K131 PolarHBondContact O-N 2.75Å
128P91.9Very high90.5Very high52 Ų5252.7 Ų52.734%0.33827%0.268SS..Hα-helixtrans-57.3-40.6173.8-27.635.6000113.8F77 L125 Q132F77-P128 HydrophobicContact CZ-CB 3.84Å; L125-P128 WeakPolarHBondContact O-CD 3.23Å; P128-Q132 WeakPolarHBondContact O-CB 3.47Å; P128-Q132 PolarHBondContact O-N 3.13Å
129W94.1Very high90.9Very high0 Ų052.7 Ų52.70%027%0.266CS..Hα-helixtrans-65.2-44.9176.7177.789.7000111.8F77 Y116 V117 L119 A120 L125 T126 I127 K131 Q132 I133 F168 I191F77-W129 HydrophobicContact CE2-CB 4.14Å; Y116-W129 HydrophobicContact CD1-CZ2 4.48Å; Y116-W129 AromaticContact CD1-NE1 3.32Å; Y116-W129 VanDerWaalsContact CD1-NE1 3.32Å; Y116-W129 AromaticContact CE1-CD1 3.8Å; Y116-W129 AromaticContact CE1-NE1 3.27Å; Y116-W129 VanDerWaalsContact CE1-NE1 3.27Å; Y116-W129 PolarHBondContact O-NE1 2.9Å; Y116-W129 VanDerWaalsContact O-NE1 3.09Å; V117-W129 HydrophobicContact CG2-CH2 4.49Å; V117-W129 HydrophobicContact CG2-CZ2 4.15Å; L119-W129 HydrophobicContact CB-CB 4.48Å; L119-W129 HydrophobicContact CB-CG 4.09Å; A120-W129 HydrophobicContact CB-CD2 4.1Å; A120-W129 HydrophobicContact CB-CE3 3.64Å; A120-W129 HydrophobicContact CB-CH2 3.96Å; A120-W129 HydrophobicContact CB-CZ2 4.37Å; A120-W129 HydrophobicContact CB-CZ3 3.57Å; L125-W129 WeakPolarHBondContact O-CB 3.37Å; L125-W129 PolarHBondContact O-N 3.37Å; T126-W129 PolarHBondContact O-N 2.89Å; I127-W129 VanDerWaalsContact C-N 3.31Å; I127-W129 PolarHBondContact O-N 3.45Å; W129-K131 VanDerWaalsContact C-N 3.33Å; W129-K131 PolarHBondContact O-N 3.25Å; W129-Q132 PolarHBondContact O-N 3.35Å; W129-Q132 VanDerWaalsContact O-N 3.14Å; W129-I133 HydrophobicContact CE3-CG2 4.34Å; W129-I133 HydrophobicContact CH2-CG2 4.25Å; W129-I133 HydrophobicContact CZ3-CG2 4.15Å; W129-I133 PolarHBondContact O-N 3.35Å; W129-F168 HydrophobicContact CH2-CD1 4.48Å; W129-F168 HydrophobicContact CZ2-CD1 4.17Å; W129-F168 AromaticContact CZ2-CE1 3.99Å; W129-F168 HydrophobicContact CZ2-CE1 3.99Å; W129-I191 HydrophobicContact CZ3-CG2 4.03Å
130L92.9Very high91.3Very high34 Ų3451.9 Ų51.918%0.17826%0.262CS..Hα-helixtrans-61.4-41.6178.1-177.758.8000111.8T126 I127 I133 K134 I191 I195T126-L130 VanDerWaalsContact O-CB 3.31Å; T126-L130 WeakPolarHBondContact O-CB 3.47Å; T126-L130 PolarHBondContact O-N 2.94Å; I127-L130 PolarHBondContact O-N 2.96Å; L130-I133 HydrophobicContact CD1-CG2 4.3Å; L130-I133 WeakPolarHBondContact O-CG2 3.31Å; L130-K134 HydrophobicContact CG-CD 4.45Å; L130-K134 WeakPolarHBondContact O-CB 3.31Å; L130-K134 WeakPolarHBondContact O-CD 3.35Å; L130-K134 VanDerWaalsContact O-CG 3.24Å; L130-K134 WeakPolarHBondContact O-CG 3.46Å; L130-K134 PolarHBondContact O-N 3.46Å; L130-I191 HydrophobicContact CD1-CG2 3.93Å; L130-I195 HydrophobicContact CD1-CD1 4Å; L130-I195 HydrophobicContact CD1-CG1 3.57Å
131K92.8Very high91.7Very high144 Ų14451.7 Ų51.763%0.62626%0.26SS*.Hα-helixtrans-62.3-46.1173.9-178.3174.9179.3174.40111.2I127 W129 K134 D135I127-K131 PolarHBondContact O-N 2.75Å; W129-K131 VanDerWaalsContact C-N 3.33Å; W129-K131 PolarHBondContact O-N 3.25Å; K131-K134 WeakPolarHBondContact O-CB 3.26Å; K131-K134 PolarHBondContact O-N 2.94Å; K131-D135 PolarHBondContact O-N 2.9Å
132Q94.9Very high92.1Very high10 Ų1051.2 Ų51.25%0.04726%0.255CS..Hα-helixtrans-65.2-44.1-177.9-167.5-174.349.600112.6F77 L84 Y116 P128 W129 K134 D135 V136F77-Q132 HydrophobicContact CE2-CB 4.35Å; F77-Q132 PolarHBondContact O-NE2 3.41Å; L84-Q132 HydrophobicContact CD1-CG 3.39Å; Y116-Q132 PolarHBondContact OH-OE1 3.37Å; P128-Q132 WeakPolarHBondContact O-CB 3.47Å; P128-Q132 PolarHBondContact O-N 3.13Å; W129-Q132 PolarHBondContact O-N 3.35Å; W129-Q132 VanDerWaalsContact O-N 3.14Å; Q132-K134 VanDerWaalsContact C-N 3.32Å; Q132-K134 PolarHBondContact O-N 2.87Å; Q132-D135 PolarHBondContact O-N 3.15Å; Q132-V136 VanDerWaalsContact O-CG2 3.32Å; Q132-V136 WeakPolarHBondContact O-CG2 3.39Å; Q132-V136 PolarHBondContact O-N 2.82Å
133I94.8Very high92.5Very high0 Ų049.5 Ų49.50%024%0.243CC..Hα-helixtrans-66.6-36.9179.8-163.862.4000111Y116 W129 L130 D135 V136 L137 F168 I195Y116-I133 HydrophobicContact CE1-CD1 4.21Å; W129-I133 HydrophobicContact CE3-CG2 4.34Å; W129-I133 HydrophobicContact CH2-CG2 4.25Å; W129-I133 HydrophobicContact CZ3-CG2 4.15Å; W129-I133 PolarHBondContact O-N 3.35Å; L130-I133 HydrophobicContact CD1-CG2 4.3Å; L130-I133 WeakPolarHBondContact O-CG2 3.31Å; I133-D135 VanDerWaalsContact C-N 3.35Å; I133-D135 PolarHBondContact O-N 2.88Å; I133-V136 PolarHBondContact O-N 3.2Å; I133-L137 HydrophobicContact CD1-CG 4.41Å; I133-L137 HydrophobicContact CG1-CD1 4.12Å; I133-L137 HydrophobicContact CG1-CG 4.23Å; I133-L137 WeakPolarHBondContact O-CB 3.16Å; I133-L137 VanDerWaalsContact O-CG 3.23Å; I133-L137 WeakPolarHBondContact O-CG 3.24Å; I133-L137 PolarHBondContact O-N 3.02Å; I133-F168 HydrophobicContact CD1-CB 4.42Å; I133-F168 HydrophobicContact CD1-CD1 3.77Å; I133-F168 HydrophobicContact CD1-CD2 3.85Å; I133-F168 HydrophobicContact CD1-CE1 3.9Å; I133-F168 HydrophobicContact CD1-CE2 4.01Å; I133-F168 HydrophobicContact CD1-CG 3.74Å; I133-F168 HydrophobicContact CD1-CZ 4.03Å; I133-F168 HydrophobicContact CG1-CB 4.15Å; I133-F168 HydrophobicContact CG1-CD1 3.8Å; I133-F168 HydrophobicContact CG1-CD2 4.48Å; I133-F168 HydrophobicContact CG1-CE1 4.32Å; I133-F168 HydrophobicContact CG1-CG 3.88Å; I133-I195 HydrophobicContact CG2-CD1 3.77Å; I133-I195 HydrophobicContact CG2-CG1 4.24Å
134K94.9Very high93Very high36 Ų3640 Ų4016%0.15720%0.201CC..Hα-helixtrans-58.4-45.2171-77.7173.5176.5-174.80112.2L130 K131 Q132 W138 N194 I195 H198L130-K134 HydrophobicContact CG-CD 4.45Å; L130-K134 WeakPolarHBondContact O-CB 3.31Å; L130-K134 WeakPolarHBondContact O-CD 3.35Å; L130-K134 VanDerWaalsContact O-CG 3.24Å; L130-K134 WeakPolarHBondContact O-CG 3.46Å; L130-K134 PolarHBondContact O-N 3.46Å; K131-K134 WeakPolarHBondContact O-CB 3.26Å; K131-K134 PolarHBondContact O-N 2.94Å; Q132-K134 VanDerWaalsContact C-N 3.32Å; Q132-K134 PolarHBondContact O-N 2.87Å; K134-W138 VanDerWaalsContact O-CB 3.24Å; K134-W138 WeakPolarHBondContact O-CB 3.49Å; K134-W138 PolarHBondContact O-N 3.06Å; K134-N194 WeakPolarHBondContact CE-OD1 3.44Å; K134-N194 PolarHBondContact NZ-OD1 3.28Å; K134-I195 HydrophobicContact CG-CG1 4.35Å; K134-H198 HydrophobicContact CD-CB 3.92Å; K134-H198 HydrophobicContact CG-CB 4.16Å
135D94.3Very high93.2Very high55 Ų5537.6 Ų37.629%0.29419%0.185SC..Hα-helixtrans-66.1-42.9178.1-69.5-26.9000111.6K131 Q132 I133 W138 I139K131-D135 PolarHBondContact O-N 2.9Å; Q132-D135 PolarHBondContact O-N 3.15Å; I133-D135 VanDerWaalsContact C-N 3.35Å; I133-D135 PolarHBondContact O-N 2.88Å; D135-W138 PolarHBondContact O-N 3.41Å; D135-I139 VanDerWaalsContact O-CG1 3.27Å; D135-I139 WeakPolarHBondContact O-CG1 3.44Å; D135-I139 PolarHBondContact O-N 2.89Å
136V95.3Very high93.3Very high0 Ų040.5 Ų40.50%020%0.2CC..Hα-helixtrans-60.4-53.1175.8171.40000110.8L84 F95 I102 Q132 I133 W138 I139 C140 M164L84-V136 HydrophobicContact CD1-CG2 3.83Å; L84-V136 HydrophobicContact CD2-CG2 4.17Å; L84-V136 HydrophobicContact CG-CG2 4.49Å; F95-V136 HydrophobicContact CE2-CG1 4.25Å; F95-V136 HydrophobicContact CZ-CG1 4Å; F95-V136 WeakPolarHBondContact CZ-O 3.32Å; I102-V136 HydrophobicContact CD1-CG1 4.48Å; Q132-V136 VanDerWaalsContact O-CG2 3.32Å; Q132-V136 WeakPolarHBondContact O-CG2 3.39Å; Q132-V136 PolarHBondContact O-N 2.82Å; I133-V136 PolarHBondContact O-N 3.2Å; V136-W138 VanDerWaalsContact C-N 3.28Å; V136-W138 PolarHBondContact O-N 3.47Å; V136-I139 PolarHBondContact O-N 3.14Å; V136-I139 VanDerWaalsContact O-N 3.15Å; V136-C140 PolarHBondContact O-N 2.94Å; V136-C140 PolarHBondContact O-SG 3.45Å; V136-C140 VanDerWaalsContact O-SG 3.35Å; V136-M164 HydrophobicContact CG1-CE 3.82Å
137L95.9Very high93.4Very high0 Ų039.4 Ų39.40%019%0.193CC..Hα-helixtrans-63.7-36.1-178.9-65.9177.5000111.8I133 C140 C141 M164 L165 F168 I195 L199I133-L137 HydrophobicContact CD1-CG 4.41Å; I133-L137 HydrophobicContact CG1-CD1 4.12Å; I133-L137 HydrophobicContact CG1-CG 4.23Å; I133-L137 WeakPolarHBondContact O-CB 3.16Å; I133-L137 VanDerWaalsContact O-CG 3.23Å; I133-L137 WeakPolarHBondContact O-CG 3.24Å; I133-L137 PolarHBondContact O-N 3.02Å; L137-C140 VanDerWaalsContact O-CB 3.31Å; L137-C140 WeakPolarHBondContact O-CB 3.33Å; L137-C140 PolarHBondContact O-N 2.98Å; L137-C141 PolarHBondContact O-N 3.01Å; L137-C141 PolarHBondContact O-SG 3.46Å; L137-M164 HydrophobicContact CD2-CB 4.17Å; L137-M164 HydrophobicContact CD2-CE 4.29Å; L137-M164 WeakPolarHBondContact CD2-O 3.44Å; L137-L165 HydrophobicContact CB-CD2 4.06Å; L137-L165 HydrophobicContact CD2-CD2 4.11Å; L137-F168 HydrophobicContact CD1-CB 3.8Å; L137-F168 HydrophobicContact CD2-CB 4.26Å; L137-F168 HydrophobicContact CD2-CD2 4.43Å; L137-I195 HydrophobicContact CD1-CG2 3.45Å; L137-I195 VanDerWaalsContact CD1-CG2 3.45Å; L137-L199 HydrophobicContact CB-CD1 4.37Å; L137-L199 HydrophobicContact CB-CD2 4.07Å
138W95.5Very high93.3Very high43 Ų4338.3 Ų38.316%0.16318%0.183CC..Hα-helixtrans-65.2-39.9174.4-178.9-115000112.5K134 D135 V136 C140 C141 Q142 L199 K202 I207K134-W138 VanDerWaalsContact O-CB 3.24Å; K134-W138 WeakPolarHBondContact O-CB 3.49Å; K134-W138 PolarHBondContact O-N 3.06Å; D135-W138 PolarHBondContact O-N 3.41Å; V136-W138 VanDerWaalsContact C-N 3.28Å; V136-W138 PolarHBondContact O-N 3.47Å; W138-C140 VanDerWaalsContact C-N 3.33Å; W138-C141 HydrophobicContact CE3-CB 4.08Å; W138-C141 HydrophobicContact CZ3-CB 4.21Å; W138-C141 WeakPolarHBondContact O-CB 3.41Å; W138-C141 PolarHBondContact O-N 3.34Å; W138-Q142 HydrophobicContact CD2-CG 4.43Å; W138-Q142 VanDerWaalsContact CH2-NE2 3.25Å; W138-Q142 HydrophobicContact CZ2-CG 4.07Å; W138-Q142 WeakPolarHBondContact O-CG 3.39Å; W138-Q142 PolarHBondContact O-N 2.94Å; W138-L199 HydrophobicContact CB-CD2 4.32Å; W138-L199 HydrophobicContact CE3-CD2 4.24Å; W138-K202 HydrophobicContact CD2-CB 3.98Å; W138-K202 HydrophobicContact CD2-CD 3.55Å; W138-K202 HydrophobicContact CD2-CG 4.44Å; W138-K202 HydrophobicContact CE3-CB 3.69Å; W138-K202 HydrophobicContact CE3-CD 4.01Å; W138-K202 HydrophobicContact CG-CD 3.77Å; W138-K202 HydrophobicContact CH2-CB 3.48Å; W138-K202 VanDerWaalsContact CH2-CB 3.48Å; W138-K202 WeakPolarHBondContact CH2-O 3.24Å; W138-K202 HydrophobicContact CZ2-CB 3.69Å; W138-K202 HydrophobicContact CZ2-CD 4.21Å; W138-K202 HydrophobicContact CZ2-CG 4.48Å; W138-K202 HydrophobicContact CZ3-CB 3.45Å; W138-K202 VanDerWaalsContact CZ3-CB 3.45Å; W138-I207 HydrophobicContact CH2-CD1 3.67Å; W138-I207 HydrophobicContact CZ3-CD1 3.64Å
139I94.3Very high93.1Very high23 Ų2335.9 Ų35.912%0.11817%0.167CC..Hα-helixtrans-63.4-40.8173.1-67.6164.1000110.4L84 Y87 F95 D135 V136 C141 Q142 L143L84-I139 HydrophobicContact CD2-CD1 3.33Å; Y87-I139 HydrophobicContact CD1-CD1 3.8Å; Y87-I139 HydrophobicContact CD1-CG1 4.28Å; Y87-I139 HydrophobicContact CD1-CG2 4.39Å; Y87-I139 HydrophobicContact CE1-CD1 4.05Å; Y87-I139 HydrophobicContact CE1-CG1 4.1Å; Y87-I139 HydrophobicContact CE1-CG2 3.55Å; Y87-I139 HydrophobicContact CE2-CG2 4.34Å; Y87-I139 HydrophobicContact CG-CD1 4.24Å; Y87-I139 WeakPolarHBondContact OH-CG2 3.4Å; F95-I139 HydrophobicContact CD1-CG2 4Å; F95-I139 HydrophobicContact CD2-CG2 4.05Å; F95-I139 HydrophobicContact CE1-CB 4.25Å; F95-I139 HydrophobicContact CE1-CG2 3.61Å; F95-I139 HydrophobicContact CE2-CB 3.93Å; F95-I139 HydrophobicContact CE2-CD1 4.1Å; F95-I139 HydrophobicContact CE2-CG2 3.67Å; F95-I139 HydrophobicContact CG-CG2 4.21Å; F95-I139 HydrophobicContact CZ-CB 3.65Å; F95-I139 HydrophobicContact CZ-CG2 3.44Å; F95-I139 VanDerWaalsContact CZ-CG2 3.44Å; D135-I139 VanDerWaalsContact O-CG1 3.27Å; D135-I139 WeakPolarHBondContact O-CG1 3.44Å; D135-I139 PolarHBondContact O-N 2.89Å; V136-I139 PolarHBondContact O-N 3.14Å; V136-I139 VanDerWaalsContact O-N 3.15Å; I139-C141 VanDerWaalsContact C-N 3.3Å; I139-C141 PolarHBondContact O-N 3.46Å; I139-Q142 PolarHBondContact O-N 2.6Å; I139-L143 HydrophobicContact CG2-CD1 4.03Å; I139-L143 HydrophobicContact CG2-CG 4.25Å; I139-L143 WeakPolarHBondContact O-CG 3.34Å; I139-L143 PolarHBondContact O-N 3.15Å
140C95.3Very high92.6Very high0 Ų039.9 Ų39.90%019%0.189CC..Hα-helixtrans-54.3-47.4172.2-65.70000111.2V136 L137 W138 Q142 L143 L144 Y161V136-C140 PolarHBondContact O-N 2.94Å; V136-C140 PolarHBondContact O-SG 3.45Å; V136-C140 VanDerWaalsContact O-SG 3.35Å; L137-C140 VanDerWaalsContact O-CB 3.31Å; L137-C140 WeakPolarHBondContact O-CB 3.33Å; L137-C140 PolarHBondContact O-N 2.98Å; W138-C140 VanDerWaalsContact C-N 3.33Å; C140-Q142 PolarHBondContact O-N 3.35Å; C140-L143 PolarHBondContact O-N 3.18Å; C140-L144 WeakPolarHBondContact O-CG 3.28Å; C140-L144 PolarHBondContact O-N 3.05Å; C140-Y161 HydrophobicContact CB-CD1 4.18Å; C140-Y161 HydrophobicContact CB-CG 4.24Å
141C94.6Very high92.4Very high0 Ų041.8 Ų41.80%020%0.198CC..Hα-helixtrans-61.5-44.1176.5-61.70000112.5L137 W138 I139 L143 L144 K145 I207L137-C141 PolarHBondContact O-N 3.01Å; L137-C141 PolarHBondContact O-SG 3.46Å; W138-C141 HydrophobicContact CE3-CB 4.08Å; W138-C141 HydrophobicContact CZ3-CB 4.21Å; W138-C141 WeakPolarHBondContact O-CB 3.41Å; W138-C141 PolarHBondContact O-N 3.34Å; I139-C141 VanDerWaalsContact C-N 3.3Å; I139-C141 PolarHBondContact O-N 3.46Å; C141-L143 VanDerWaalsContact C-N 3.29Å; C141-L143 PolarHBondContact O-N 3.4Å; C141-L144 WeakPolarHBondContact O-CB 3.24Å; C141-L144 PolarHBondContact O-N 2.88Å; C141-K145 PolarHBondContact O-N 3.41Å; C141-K145 VanDerWaalsContact O-N 3.16Å; C141-I207 HydrophobicContact CB-CD1 3.51Å; C141-I207 HydrophobicContact CB-CG2 4.19Å; C141-I207 WeakPolarHBondContact O-CG2 3.42Å
142Q92.8Very high92.2Very high74 Ų7441.1 Ų41.135%0.34620%0.201SC..Hα-helixtrans-64.2-33.5177.6-73.4-62.7-4200113W138 I139 C140 N146W138-Q142 HydrophobicContact CD2-CG 4.43Å; W138-Q142 VanDerWaalsContact CH2-NE2 3.25Å; W138-Q142 HydrophobicContact CZ2-CG 4.07Å; W138-Q142 WeakPolarHBondContact O-CG 3.39Å; W138-Q142 PolarHBondContact O-N 2.94Å; I139-Q142 PolarHBondContact O-N 2.6Å; C140-Q142 PolarHBondContact O-N 3.35Å; Q142-N146 PolarHBondContact O-ND2 2.95Å; Q142-N146 VanDerWaalsContact O-ND2 3.14Å
143L92.6Very high91.8Very high7 Ų747.7 Ų47.74%0.03723%0.231CC..Hα-helixtrans-72.5-43.2174.1-67.6178.3000111.3K92 F95 I139 C140 C141 K145 N146 L147 Y161K92-L143 HydrophobicContact CD-CD2 4.04Å; K92-L143 HydrophobicContact CG-CD2 3.72Å; F95-L143 HydrophobicContact CD1-CD1 3.56Å; F95-L143 HydrophobicContact CE1-CD1 3.87Å; F95-L143 HydrophobicContact CG-CD1 4.5Å; I139-L143 HydrophobicContact CG2-CD1 4.03Å; I139-L143 HydrophobicContact CG2-CG 4.25Å; I139-L143 WeakPolarHBondContact O-CG 3.34Å; I139-L143 PolarHBondContact O-N 3.15Å; C140-L143 PolarHBondContact O-N 3.18Å; C141-L143 VanDerWaalsContact C-N 3.29Å; C141-L143 PolarHBondContact O-N 3.4Å; L143-K145 PolarHBondContact O-N 3.49Å; L143-N146 PolarHBondContact O-N 3.12Å; L143-L147 WeakPolarHBondContact O-CG 3.33Å; L143-Y161 HydrophobicContact CB-CD2 4.15Å; L143-Y161 HydrophobicContact CB-CE2 3.7Å; L143-Y161 HydrophobicContact CD1-CE1 4.27Å; L143-Y161 HydrophobicContact CD1-CE2 3.98Å; L143-Y161 WeakPolarHBondContact CD1-OH 3.35Å
144L93.3Very high91.6Very high1 Ų149.2 Ų49.21%0.00524%0.239CC..Hα-helixtrans-52.4-38.6175.1-78.5170.6000112.5C140 C141 N146 L147 V158 Y161 L162 L165 I207 L211C140-L144 WeakPolarHBondContact O-CG 3.28Å; C140-L144 PolarHBondContact O-N 3.05Å; C141-L144 WeakPolarHBondContact O-CB 3.24Å; C141-L144 PolarHBondContact O-N 2.88Å; L144-N146 PolarHBondContact O-N 3.3Å; L144-N146 VanDerWaalsContact O-N 3.1Å; L144-L147 HydrophobicContact CD2-CD1 4.37Å; L144-L147 PolarHBondContact O-N 3.11Å; L144-V158 HydrophobicContact CD2-CB 4.2Å; L144-V158 HydrophobicContact CD2-CG1 4.13Å; L144-V158 HydrophobicContact CD2-CG2 4.1Å; L144-Y161 HydrophobicContact CD2-CD2 4.35Å; L144-Y161 HydrophobicContact CG-CD2 4.33Å; L144-L162 HydrophobicContact CD1-CD2 4.04Å; L144-L162 HydrophobicContact CD1-CG 4.4Å; L144-L162 HydrophobicContact CD2-CG 4.36Å; L144-L165 HydrophobicContact CD1-CD1 3.75Å; L144-I207 HydrophobicContact CB-CG2 4.11Å; L144-L211 HydrophobicContact CD2-CD2 4.2Å
145K90.5Very high91.4Very high91 Ų9149.2 Ų49.240%0.39624%0.241SC..THydrogen-bonded Turntrans-54.6-29.7177.8-174.9174.8178.3178.10113.9C141 L143 I210C141-K145 PolarHBondContact O-N 3.41Å; C141-K145 VanDerWaalsContact O-N 3.16Å; L143-K145 PolarHBondContact O-N 3.49Å; K145-I210 HydrophobicContact CD-CD1 4.09Å; K145-I210 HydrophobicContact CG-CD1 3.81Å
146N89.5Confident91.2Very high101 Ų10153 Ų5354%0.5426%0.255SS..THydrogen-bonded Turntrans-103.3-2-174-60.2-60.3000113.7Q142 L143 L144Q142-N146 PolarHBondContact O-ND2 2.95Å; Q142-N146 VanDerWaalsContact O-ND2 3.14Å; L143-N146 PolarHBondContact O-N 3.12Å; L144-N146 PolarHBondContact O-N 3.3Å; L144-N146 VanDerWaalsContact O-N 3.1Å
147L90.5Very high91.1Very high16 Ų1654.5 Ų54.58%0.08426%0.263CS..  trans-89.3144.6-177.4-66.4174.5000111.2L143 L144 D154 L157 V158 Y161L143-L147 WeakPolarHBondContact O-CG 3.33Å; L144-L147 HydrophobicContact CD2-CD1 4.37Å; L144-L147 PolarHBondContact O-N 3.11Å; L147-D154 HydrophobicContact CB-CB 4.24Å; L147-D154 HydrophobicContact CD2-CB 4.02Å; L147-L157 HydrophobicContact CD1-CB 3.7Å; L147-L157 HydrophobicContact CD2-CB 4.28Å; L147-L157 HydrophobicContact CD2-CD1 3.96Å; L147-V158 HydrophobicContact CB-CG2 3.74Å; L147-V158 HydrophobicContact CD1-CG2 3.78Å; L147-V158 HydrophobicContact CG-CG2 4.42Å; L147-Y161 HydrophobicContact CD1-CD2 3.83Å; L147-Y161 HydrophobicContact CD1-CE2 3.91Å
148K88.6Confident91Very high117 Ų11754.5 Ų54.551%0.50926%0.263SS..  trans-110.5109.6178.2-70.8-170.7178.9-174.10110.5D150 I151 D154K148-D150 WeakPolarHBondContact CB-OD1 3.41Å; K148-D150 PolarHBondContact O-N 2.98Å; K148-I151 HydrophobicContact CB-CD1 4.04Å; K148-I151 HydrophobicContact CB-CG1 4.23Å; K148-I151 HydrophobicContact CD-CD1 4.34Å; K148-I151 PolarHBondContact O-N 3.07Å; K148-D154 PolarHBondContact N-OD2 2.86Å; K148-D154 WeakPolarHBondContact O-CB 3.32Å
149P87.4Confident90.9Very high2 Ų255.2 Ų55.21%0.01327%0.272CS..THydrogen-bonded Turntrans-62.9-17.8-172-22.132.3000115.5I151 N155 L211 N214 L223P149-I151 VanDerWaalsContact C-N 3.32Å; P149-N155 PolarHBondContact O-ND2 3.47Å; P149-L211 HydrophobicContact CG-CD1 3.87Å; P149-N214 HydrophobicContact CG-CB 4.49Å; P149-L223 HydrophobicContact CB-CD2 3.75Å; P149-L223 HydrophobicContact CG-CD2 3.84Å
150D84.3Confident90.9Very high84 Ų8455.1 Ų55.145%0.44927%0.272SS..THydrogen-bonded Turntrans-71.8-21.9174.350.9-64.2000114K148 R218K148-D150 WeakPolarHBondContact CB-OD1 3.41Å; K148-D150 PolarHBondContact O-N 2.98Å; D150-R218 IonicContact OD1-NH2 2.62Å; D150-R218 PolarHBondContact OD1-NH2 3.39Å
151I89.1Confident90.9Very high74 Ų7455.4 Ų55.438%0.37927%0.273SS..SBendtrans-86.3121.9175.4-57.9175.9000108.3K148 P149 Q153 D154 N155K148-I151 HydrophobicContact CB-CD1 4.04Å; K148-I151 HydrophobicContact CB-CG1 4.23Å; K148-I151 HydrophobicContact CD-CD1 4.34Å; K148-I151 PolarHBondContact O-N 3.07Å; P149-I151 VanDerWaalsContact C-N 3.32Å; I151-Q153 VanDerWaalsContact C-N 3.25Å; I151-Q153 HydrophobicContact CG2-CB 4.4Å; I151-Q153 PolarHBondContact O-N 3.37Å; I151-Q153 VanDerWaalsContact O-N 3.16Å; I151-D154 HydrophobicContact CB-CB 4.05Å; I151-D154 HydrophobicContact CG2-CB 4.45Å; I151-D154 PolarHBondContact O-N 2.87Å; I151-N155 PolarHBondContact O-N 3.29Å
152L87.1Confident90.9Very high129 Ų12955.5 Ų55.568%0.67527%0.273SS*.Hα-helixtrans-55.3-37.7-175.9-168.6106.3000113.4K156L152-K156 PolarHBondContact O-N 3.43Å
153Q87.4Confident91Very high149 Ų14954.6 Ų54.670%0.69627%0.273SS*.Hα-helixtrans-67.3-46177.1-66.9-177.9-3.100111.5I151 N155 K156 L157I151-Q153 VanDerWaalsContact C-N 3.25Å; I151-Q153 HydrophobicContact CG2-CB 4.4Å; I151-Q153 PolarHBondContact O-N 3.37Å; I151-Q153 VanDerWaalsContact O-N 3.16Å; Q153-N155 VanDerWaalsContact C-N 3.32Å; Q153-N155 PolarHBondContact O-N 3.41Å; Q153-K156 PolarHBondContact O-N 3.08Å; Q153-L157 PolarHBondContact O-N 2.84Å
154D90.6Very high91.1Very high31 Ų3154.3 Ų54.317%0.16627%0.271CS..Hα-helixtrans-64.7-37.3176.9-76.49.3000111.3L147 K148 I151 K156 L157 V158L147-D154 HydrophobicContact CB-CB 4.24Å; L147-D154 HydrophobicContact CD2-CB 4.02Å; K148-D154 PolarHBondContact N-OD2 2.86Å; K148-D154 WeakPolarHBondContact O-CB 3.32Å; I151-D154 HydrophobicContact CB-CB 4.05Å; I151-D154 HydrophobicContact CG2-CB 4.45Å; I151-D154 PolarHBondContact O-N 2.87Å; D154-K156 VanDerWaalsContact C-N 3.31Å; D154-K156 PolarHBondContact O-N 3.07Å; D154-L157 CarbonylContact O-C 3.57Å; D154-L157 WeakPolarHBondContact O-CA 3.38Å; D154-L157 WeakPolarHBondContact O-CB 3.41Å; D154-L157 PolarHBondContact O-N 3.07Å; D154-V158 WeakPolarHBondContact O-CG2 3.31Å; D154-V158 PolarHBondContact O-N 2.9Å
155N90.2Very high91.2Very high36 Ų3654.2 Ų54.219%0.19327%0.271CS..Hα-helixtrans-60.4-39.4177.4-164.4-56.7000112.2P149 I151 Q153 L157 V158 T159 S222P149-N155 PolarHBondContact O-ND2 3.47Å; I151-N155 PolarHBondContact O-N 3.29Å; Q153-N155 VanDerWaalsContact C-N 3.32Å; Q153-N155 PolarHBondContact O-N 3.41Å; N155-L157 VanDerWaalsContact C-N 3.33Å; N155-L157 PolarHBondContact O-N 3.12Å; N155-V158 PolarHBondContact O-N 3.44Å; N155-T159 WeakPolarHBondContact O-CB 3.48Å; N155-T159 PolarHBondContact O-N 2.92Å; N155-T159 PolarHBondContact O-OG1 3.21Å; N155-S222 PolarHBondContact ND2-O 3.11Å
156K90.6Very high91.3Very high136 Ų13651.3 Ų51.359%0.59126%0.261SS*.Hα-helixtrans-62.2-41172.7-68.3177.7-177.5-178.10111.6L152 Q153 D154 L160L152-K156 PolarHBondContact O-N 3.43Å; Q153-K156 PolarHBondContact O-N 3.08Å; D154-K156 VanDerWaalsContact C-N 3.31Å; D154-K156 PolarHBondContact O-N 3.07Å; K156-L160 WeakPolarHBondContact O-CB 3.31Å; K156-L160 PolarHBondContact O-N 3.35Å
157L92.4Very high91.5Very high31 Ų3147.2 Ų47.216%0.16224%0.24CC..Hα-helixtrans-69.2-40.1176.5-65.4176.9000112.3E96 L147 Q153 D154 N155 T159 L160 Y161E96-L157 HydrophobicContact CG-CD2 3.65Å; L147-L157 HydrophobicContact CD1-CB 3.7Å; L147-L157 HydrophobicContact CD2-CB 4.28Å; L147-L157 HydrophobicContact CD2-CD1 3.96Å; Q153-L157 PolarHBondContact O-N 2.84Å; D154-L157 CarbonylContact O-C 3.57Å; D154-L157 WeakPolarHBondContact O-CA 3.38Å; D154-L157 WeakPolarHBondContact O-CB 3.41Å; D154-L157 PolarHBondContact O-N 3.07Å; N155-L157 VanDerWaalsContact C-N 3.33Å; N155-L157 PolarHBondContact O-N 3.12Å; L157-T159 VanDerWaalsContact C-N 3.32Å; L157-T159 PolarHBondContact O-N 3.19Å; L157-L160 PolarHBondContact O-N 3.26Å; L157-Y161 HydrophobicContact CB-CD2 4.43Å; L157-Y161 HydrophobicContact CB-CE2 4.04Å; L157-Y161 WeakPolarHBondContact O-CB 3.44Å; L157-Y161 WeakPolarHBondContact O-CD2 3.4Å; L157-Y161 VanDerWaalsContact O-CG 3.31Å; L157-Y161 PolarHBondContact O-N 3.38Å
158V93.8Very high91.6Very high0 Ų046.5 Ų46.50%024%0.236CC..Hα-helixtrans-57.9-49174.1167.90000109.5L144 L147 D154 N155 L160 Y161 L162 L211 T227L144-V158 HydrophobicContact CD2-CB 4.2Å; L144-V158 HydrophobicContact CD2-CG1 4.13Å; L144-V158 HydrophobicContact CD2-CG2 4.1Å; L147-V158 HydrophobicContact CB-CG2 3.74Å; L147-V158 HydrophobicContact CD1-CG2 3.78Å; L147-V158 HydrophobicContact CG-CG2 4.42Å; D154-V158 WeakPolarHBondContact O-CG2 3.31Å; D154-V158 PolarHBondContact O-N 2.9Å; N155-V158 PolarHBondContact O-N 3.44Å; V158-L160 PolarHBondContact O-N 2.87Å; V158-Y161 PolarHBondContact O-N 2.7Å; V158-L162 HydrophobicContact CG1-CD1 3.66Å; V158-L162 HydrophobicContact CG1-CG 4.33Å; V158-L162 WeakPolarHBondContact O-CB 3.48Å; V158-L162 VanDerWaalsContact O-CG 3.26Å; V158-L162 WeakPolarHBondContact O-CG 3.25Å; V158-L162 PolarHBondContact O-N 3.07Å; V158-L211 HydrophobicContact CG1-CD1 3.97Å; V158-L211 HydrophobicContact CG1-CD2 4.19Å; V158-L211 HydrophobicContact CG2-CD1 3.98Å; V158-T227 HydrophobicContact CG1-CG2 3.67Å
159T93.6Very high91.7Very high57 Ų5741.4 Ų41.435%0.3521%0.214SC..Hα-helixtrans-59.7-48.6177.2-57.80000110.7N155 L157 Y161 L162 T163N155-T159 WeakPolarHBondContact O-CB 3.48Å; N155-T159 PolarHBondContact O-N 2.92Å; N155-T159 PolarHBondContact O-OG1 3.21Å; L157-T159 VanDerWaalsContact C-N 3.32Å; L157-T159 PolarHBondContact O-N 3.19Å; T159-Y161 PolarHBondContact O-N 3.27Å; T159-L162 PolarHBondContact O-N 2.99Å; T159-T163 WeakPolarHBondContact O-CB 3.44Å; T159-T163 PolarHBondContact O-N 3.21Å; T159-T163 PolarHBondContact O-OG1 3.38Å
160L94.3Very high91.7Very high22 Ų2243.3 Ų43.312%0.11522%0.224CC..Hα-helixtrans-56-49.2178178.468.3000113E96 C99 R100 L103 K156 L157 V158 T163 M164E96-L160 HydrophobicContact CG-CD2 3.59Å; C99-L160 HydrophobicContact CB-CD1 4.4Å; C99-L160 HydrophobicContact CB-CD2 4.13Å; C99-L160 HydrophobicContact CB-CG 4.23Å; R100-L160 HydrophobicContact CG-CD1 3.73Å; R100-L160 HydrophobicContact CG-CD2 3.95Å; L103-L160 HydrophobicContact CD1-CD1 3.64Å; K156-L160 WeakPolarHBondContact O-CB 3.31Å; K156-L160 PolarHBondContact O-N 3.35Å; L157-L160 PolarHBondContact O-N 3.26Å; V158-L160 PolarHBondContact O-N 2.87Å; L160-T163 PolarHBondContact O-N 2.93Å; L160-M164 PolarHBondContact O-N 3.38Å
161Y95.7Very high91.8Very high5 Ų539.9 Ų39.92%0.0221%0.206CC..Hα-helixtrans-72.6-34.4-177.1-63.7-34.9000112.6F95 C140 L143 L144 L147 L157 V158 T159 M164 L165F95-Y161 HydrophobicContact CD1-CE1 4.09Å; F95-Y161 AromaticContact CE1-CE1 3.98Å; F95-Y161 HydrophobicContact CE1-CE1 3.98Å; C140-Y161 HydrophobicContact CB-CD1 4.18Å; C140-Y161 HydrophobicContact CB-CG 4.24Å; L143-Y161 HydrophobicContact CB-CD2 4.15Å; L143-Y161 HydrophobicContact CB-CE2 3.7Å; L143-Y161 HydrophobicContact CD1-CE1 4.27Å; L143-Y161 HydrophobicContact CD1-CE2 3.98Å; L143-Y161 WeakPolarHBondContact CD1-OH 3.35Å; L144-Y161 HydrophobicContact CD2-CD2 4.35Å; L144-Y161 HydrophobicContact CG-CD2 4.33Å; L147-Y161 HydrophobicContact CD1-CD2 3.83Å; L147-Y161 HydrophobicContact CD1-CE2 3.91Å; L157-Y161 HydrophobicContact CB-CD2 4.43Å; L157-Y161 HydrophobicContact CB-CE2 4.04Å; L157-Y161 WeakPolarHBondContact O-CB 3.44Å; L157-Y161 WeakPolarHBondContact O-CD2 3.4Å; L157-Y161 VanDerWaalsContact O-CG 3.31Å; L157-Y161 PolarHBondContact O-N 3.38Å; V158-Y161 PolarHBondContact O-N 2.7Å; T159-Y161 PolarHBondContact O-N 3.27Å; Y161-M164 WeakPolarHBondContact O-CB 3.16Å; Y161-M164 PolarHBondContact O-N 3.31Å; Y161-L165 WeakPolarHBondContact O-CG 3.35Å; Y161-L165 PolarHBondContact O-N 3.43Å; Y161-L165 VanDerWaalsContact O-N 3.13Å
162L94.7Very high91.6Very high2 Ų239.7 Ų39.71%0.0121%0.212CC..Hα-helixtrans-68.2-40171.5-71.5172.1000111.7L144 V158 T159 M164 L165 V166 L211 T227 A230 V231 L234L144-L162 HydrophobicContact CD1-CD2 4.04Å; L144-L162 HydrophobicContact CD1-CG 4.4Å; L144-L162 HydrophobicContact CD2-CG 4.36Å; V158-L162 HydrophobicContact CG1-CD1 3.66Å; V158-L162 HydrophobicContact CG1-CG 4.33Å; V158-L162 WeakPolarHBondContact O-CB 3.48Å; V158-L162 VanDerWaalsContact O-CG 3.26Å; V158-L162 WeakPolarHBondContact O-CG 3.25Å; V158-L162 PolarHBondContact O-N 3.07Å; T159-L162 PolarHBondContact O-N 2.99Å; L162-M164 VanDerWaalsContact C-N 3.32Å; L162-M164 PolarHBondContact O-N 2.9Å; L162-L165 HydrophobicContact CD2-CD1 4.31Å; L162-L165 WeakPolarHBondContact O-CB 3.3Å; L162-L165 PolarHBondContact O-N 3.31Å; L162-L165 VanDerWaalsContact O-N 3.11Å; L162-V166 WeakPolarHBondContact O-CG2 3.2Å; L162-V166 PolarHBondContact O-N 2.89Å; L162-L211 HydrophobicContact CD1-CD2 4.13Å; L162-L211 HydrophobicContact CD2-CD2 4.15Å; L162-L211 HydrophobicContact CG-CD2 4.44Å; L162-T227 HydrophobicContact CD1-CG2 3.42Å; L162-T227 VanDerWaalsContact CD1-CG2 3.42Å; L162-A230 HydrophobicContact CB-CB 4.41Å; L162-V231 HydrophobicContact CD1-CG2 3.62Å; L162-V231 HydrophobicContact CD2-CG2 3.75Å; L162-V231 HydrophobicContact CG-CG2 4.35Å; L162-L234 HydrophobicContact CD2-CD1 3.95Å
163T94.6Very high91.4Very high56 Ų5635.7 Ų35.734%0.34419%0.193SC..Hα-helixtrans-60.3-43.6174.1-56.90000110.7L103 T159 L160 L165 V166 T167L103-T163 HydrophobicContact CD1-CG2 3.85Å; L103-T163 HydrophobicContact CD2-CG2 4.03Å; T159-T163 WeakPolarHBondContact O-CB 3.44Å; T159-T163 PolarHBondContact O-N 3.21Å; T159-T163 PolarHBondContact O-OG1 3.38Å; L160-T163 PolarHBondContact O-N 2.93Å; T163-L165 VanDerWaalsContact C-N 3.3Å; T163-L165 PolarHBondContact O-N 3.48Å; T163-V166 PolarHBondContact O-N 3.17Å; T163-T167 WeakPolarHBondContact O-CB 3.29Å; T163-T167 PolarHBondContact O-N 3.35Å; T163-T167 PolarHBondContact O-OG1 3.19Å
164M95.3Very high91.4Very high0 Ų028.7 Ų28.70%016%0.16CC..Hα-helixtrans-53.3-46.9171.7-79.3-66.4-59.600112.2C99 I102 L103 V136 L137 L160 Y161 L162 F168C99-M164 HydrophobicContact CB-CG 3.98Å; C99-M164 HydrophobicContact CB-SD 4.23Å; I102-M164 HydrophobicContact CB-CE 4.37Å; I102-M164 HydrophobicContact CB-SD 4.28Å; I102-M164 HydrophobicContact CD1-CE 4.3Å; I102-M164 HydrophobicContact CG2-CE 4Å; I102-M164 HydrophobicContact CG2-SD 4.14Å; L103-M164 HydrophobicContact CD1-CG 4.05Å; L103-M164 HydrophobicContact CD1-SD 4.13Å; L103-M164 HydrophobicContact CD2-CG 4.25Å; L103-M164 HydrophobicContact CD2-SD 3.62Å; L103-M164 HydrophobicContact CG-CG 4.09Å; L103-M164 HydrophobicContact CG-SD 3.49Å; L103-M164 WeakPolarHBondContact CG-SD 3.5Å; V136-M164 HydrophobicContact CG1-CE 3.82Å; L137-M164 HydrophobicContact CD2-CB 4.17Å; L137-M164 HydrophobicContact CD2-CE 4.29Å; L137-M164 WeakPolarHBondContact CD2-O 3.44Å; L160-M164 PolarHBondContact O-N 3.38Å; Y161-M164 WeakPolarHBondContact O-CB 3.16Å; Y161-M164 PolarHBondContact O-N 3.31Å; L162-M164 VanDerWaalsContact C-N 3.32Å; L162-M164 PolarHBondContact O-N 2.9Å; M164-F168 HydrophobicContact CE-CD2 3.91Å; M164-F168 HydrophobicContact CE-CE2 3.7Å; M164-F168 WeakPolarHBondContact O-CD2 3.37Å; M164-F168 PolarHBondContact O-N 3.34Å; M164-F168 VanDerWaalsContact O-N 3.14Å; M164-F168 HydrophobicContact SD-CE2 4.12Å
165L94.8Very high91Very high0 Ų030.9 Ų30.90%017%0.166CC..Hα-helixtrans-64.5-48178-70.6164.4000111.6L137 L144 Y161 L162 T163 T167 F168 T169 L199 F204 L234L137-L165 HydrophobicContact CB-CD2 4.06Å; L137-L165 HydrophobicContact CD2-CD2 4.11Å; L144-L165 HydrophobicContact CD1-CD1 3.75Å; Y161-L165 WeakPolarHBondContact O-CG 3.35Å; Y161-L165 PolarHBondContact O-N 3.43Å; Y161-L165 VanDerWaalsContact O-N 3.13Å; L162-L165 HydrophobicContact CD2-CD1 4.31Å; L162-L165 WeakPolarHBondContact O-CB 3.3Å; L162-L165 PolarHBondContact O-N 3.31Å; L162-L165 VanDerWaalsContact O-N 3.11Å; T163-L165 VanDerWaalsContact C-N 3.3Å; T163-L165 PolarHBondContact O-N 3.48Å; L165-T167 VanDerWaalsContact C-N 3.34Å; L165-T167 PolarHBondContact O-N 3.27Å; L165-F168 PolarHBondContact O-N 3.24Å; L165-T169 VanDerWaalsContact O-CB 3.31Å; L165-T169 WeakPolarHBondContact O-CB 3.34Å; L165-T169 VanDerWaalsContact O-CG2 3.24Å; L165-T169 WeakPolarHBondContact O-CG2 3.34Å; L165-T169 PolarHBondContact O-N 3.5Å; L165-T169 VanDerWaalsContact O-N 3.15Å; L165-T169 PolarHBondContact O-OG1 2.86Å; L165-L199 HydrophobicContact CD2-CD1 3.82Å; L165-F204 HydrophobicContact CD1-CE2 4.09Å; L165-F204 HydrophobicContact CD2-CE2 4.31Å; L165-L234 HydrophobicContact CB-CD1 3.68Å; L165-L234 HydrophobicContact CB-CD2 4.04Å; L165-L234 HydrophobicContact CD1-CD1 4.31Å
166V93.9Very high90.6Very high30 Ų3030.2 Ų30.218%0.18216%0.162CC..Hα-helixtrans-59.4-45.9179.7171.50000110.9L162 T163 D170 T173 A230 L234 R237L162-V166 WeakPolarHBondContact O-CG2 3.2Å; L162-V166 PolarHBondContact O-N 2.89Å; T163-V166 PolarHBondContact O-N 3.17Å; V166-D170 PolarHBondContact O-N 3.02Å; V166-T173 HydrophobicContact CG1-CG2 4.35Å; V166-A230 HydrophobicContact CG2-CB 3.86Å; V166-L234 HydrophobicContact CG2-CD1 3.91Å; V166-L234 HydrophobicContact CG2-CD2 4.2Å; V166-L234 HydrophobicContact CG2-CG 3.93Å; V166-R237 PolarHBondContact O-NH1 3.09Å; V166-R237 VanDerWaalsContact O-NH1 3.08Å
167T92Very high90Very high15 Ų1523.9 Ų23.99%0.09214%0.135CC..Hα-helixtrans-62.2-49.6-179.2-580000111.3L103 M106 T163 L165 T169 T173 W174L103-T167 HydrophobicContact CD2-CG2 4.44Å; M106-T167 HydrophobicContact CE-CG2 4.18Å; M106-T167 HydrophobicContact CG-CG2 4.25Å; T163-T167 WeakPolarHBondContact O-CB 3.29Å; T163-T167 PolarHBondContact O-N 3.35Å; T163-T167 PolarHBondContact O-OG1 3.19Å; L165-T167 VanDerWaalsContact C-N 3.34Å; L165-T167 PolarHBondContact O-N 3.27Å; T167-T169 VanDerWaalsContact C-N 3.33Å; T167-T169 PolarHBondContact O-N 3.2Å; T167-T173 WeakPolarHBondContact CA-OG1 2.95Å; T167-T173 PolarHBondContact O-OG1 3.1Å; T167-W174 PolarHBondContact O-NE1 3.16Å
168F92.6Very high89.5Confident0 Ų030.7 Ų30.70%016%0.158CC..Hα-helixtrans-89.24.9-173.3-71.9-79.9000115.1I102 M106 Y116 V117 W129 I133 L137 M164 L165 W174I102-F168 HydrophobicContact CG2-CE2 3.52Å; I102-F168 HydrophobicContact CG2-CZ 3.45Å; I102-F168 VanDerWaalsContact CG2-CZ 3.45Å; M106-F168 HydrophobicContact CG-CZ 4.35Å; M106-F168 HydrophobicContact SD-CZ 4.37Å; Y116-F168 AromaticContact CD1-CE1 4Å; Y116-F168 HydrophobicContact CD1-CE1 4Å; Y116-F168 AromaticContact CD1-CZ 3.88Å; Y116-F168 HydrophobicContact CD1-CZ 3.88Å; V117-F168 HydrophobicContact CG2-CD1 4.08Å; V117-F168 HydrophobicContact CG2-CE1 3.66Å; W129-F168 HydrophobicContact CH2-CD1 4.48Å; W129-F168 HydrophobicContact CZ2-CD1 4.17Å; W129-F168 AromaticContact CZ2-CE1 3.99Å; W129-F168 HydrophobicContact CZ2-CE1 3.99Å; I133-F168 HydrophobicContact CD1-CB 4.42Å; I133-F168 HydrophobicContact CD1-CD1 3.77Å; I133-F168 HydrophobicContact CD1-CD2 3.85Å; I133-F168 HydrophobicContact CD1-CE1 3.9Å; I133-F168 HydrophobicContact CD1-CE2 4.01Å; I133-F168 HydrophobicContact CD1-CG 3.74Å; I133-F168 HydrophobicContact CD1-CZ 4.03Å; I133-F168 HydrophobicContact CG1-CB 4.15Å; I133-F168 HydrophobicContact CG1-CD1 3.8Å; I133-F168 HydrophobicContact CG1-CD2 4.48Å; I133-F168 HydrophobicContact CG1-CE1 4.32Å; I133-F168 HydrophobicContact CG1-CG 3.88Å; L137-F168 HydrophobicContact CD1-CB 3.8Å; L137-F168 HydrophobicContact CD2-CB 4.26Å; L137-F168 HydrophobicContact CD2-CD2 4.43Å; M164-F168 HydrophobicContact CE-CD2 3.91Å; M164-F168 HydrophobicContact CE-CE2 3.7Å; M164-F168 WeakPolarHBondContact O-CD2 3.37Å; M164-F168 PolarHBondContact O-N 3.34Å; M164-F168 VanDerWaalsContact O-N 3.14Å; M164-F168 HydrophobicContact SD-CE2 4.12Å; L165-F168 PolarHBondContact O-N 3.24Å; F168-W174 HydrophobicContact CD1-CZ2 4.43Å
169T90.9Very high88.7Confident10 Ų1033.5 Ų33.56%0.06119%0.188CC..THydrogen-bonded Turntrans-116.33.2176.5620000113.8L165 T167 I195 M196 L199 L234 R237L165-T169 VanDerWaalsContact O-CB 3.31Å; L165-T169 WeakPolarHBondContact O-CB 3.34Å; L165-T169 VanDerWaalsContact O-CG2 3.24Å; L165-T169 WeakPolarHBondContact O-CG2 3.34Å; L165-T169 PolarHBondContact O-N 3.5Å; L165-T169 VanDerWaalsContact O-N 3.15Å; L165-T169 PolarHBondContact O-OG1 2.86Å; T167-T169 VanDerWaalsContact C-N 3.33Å; T167-T169 PolarHBondContact O-N 3.2Å; T169-I195 HydrophobicContact CG2-CG2 4.29Å; T169-M196 VanDerWaalsContact CB-CE 3.42Å; T169-M196 HydrophobicContact CG2-CE 3.53Å; T169-M196 HydrophobicContact CG2-SD 4.25Å; T169-L199 HydrophobicContact CG2-CD1 4.45Å; T169-L234 WeakPolarHBondContact OG1-CD2 3.46Å; T169-R237 PolarHBondContact OG1-NH1 3.46Å
170D88.1Confident87.3Confident42 Ų4241.2 Ų41.223%0.22522%0.216CC..  trans-143.5124.1176178.56.4000111.6V166 S172 T173 R237V166-D170 PolarHBondContact O-N 3.02Å; D170-S172 PolarHBondContact O-N 2.68Å; D170-S172 VanDerWaalsContact OD1-CB 3.29Å; D170-S172 WeakPolarHBondContact OD1-CB 3.47Å; D170-S172 PolarHBondContact OD1-N 2.75Å; D170-S172 PolarHBondContact OD1-OG 3.08Å; D170-S172 VanDerWaalsContact OD1-OG 3.08Å; D170-S172 PolarHBondContact OD2-OG 3.06Å; D170-T173 HydrophobicContact CB-CG2 4.5Å; D170-T173 PolarHBondContact O-N 3.2Å; D170-T173 PolarHBondContact O-OG1 3.01Å; D170-R237 VanDerWaalsContact CB-NH1 3.27Å; D170-R237 IonicContact OD2-CZ 3.51Å; D170-R237 IonicContact OD2-NH2 3.23Å; D170-R237 PolarHBondContact OD2-NH2 3.15Å
171T86.4Confident86.2Confident12 Ų1240.7 Ų40.77%0.07422%0.216CC..G310 helixtrans-69.1-19-178.454.40000112.7T173 W174 L188 T189T171-T173 PolarHBondContact O-N 3.17Å; T171-W174 HydrophobicContact CG2-CE3 4.02Å; T171-W174 HydrophobicContact CG2-CZ3 4.05Å; T171-W174 WeakPolarHBondContact O-CB 3.17Å; T171-W174 PolarHBondContact O-N 3.19Å; T171-L188 HydrophobicContact CG2-CB 3.87Å; T171-T189 PolarHBondContact OG1-OG1 3.34Å
172S84.3Confident85.4Confident71 Ų7145.5 Ų45.550%0.49724%0.239SC..G310 helixtrans-60.7-29.7175.576.90000112.6D170 W174D170-S172 PolarHBondContact O-N 2.68Å; D170-S172 VanDerWaalsContact OD1-CB 3.29Å; D170-S172 WeakPolarHBondContact OD1-CB 3.47Å; D170-S172 PolarHBondContact OD1-N 2.75Å; D170-S172 PolarHBondContact OD1-OG 3.08Å; D170-S172 VanDerWaalsContact OD1-OG 3.08Å; D170-S172 PolarHBondContact OD2-OG 3.06Å; S172-W174 VanDerWaalsContact C-N 3.28Å
173T84Confident84.7Confident45 Ų4549.8 Ų49.828%0.27628%0.275SS..G310 helixtrans-78.7-14.9177.871.60000112.4V166 T167 D170 T171 R175V166-T173 HydrophobicContact CG1-CG2 4.35Å; T167-T173 WeakPolarHBondContact CA-OG1 2.95Å; T167-T173 PolarHBondContact O-OG1 3.1Å; D170-T173 HydrophobicContact CB-CG2 4.5Å; D170-T173 PolarHBondContact O-N 3.2Å; D170-T173 PolarHBondContact O-OG1 3.01Å; T171-T173 PolarHBondContact O-N 3.17Å; T173-R175 PolarHBondContact O-N 3.28Å
174W87.8Confident84.1Confident1 Ų150.6 Ų50.60%0.00428%0.277CS..  trans-88.9107.2-176.6-60.9-3.3000110M106 V117 T167 F168 T171 S172 I176 V177 L188 I191 C192M106-W174 HydrophobicContact CE-CG 4.34Å; V117-W174 HydrophobicContact CB-CD2 4.43Å; V117-W174 HydrophobicContact CG1-CD2 3.88Å; V117-W174 HydrophobicContact CG1-CE3 3.74Å; V117-W174 HydrophobicContact CG1-CG 4.24Å; V117-W174 HydrophobicContact CG1-CZ3 4.26Å; V117-W174 HydrophobicContact CG2-CD2 3.71Å; V117-W174 HydrophobicContact CG2-CE3 4.25Å; V117-W174 HydrophobicContact CG2-CG 4.02Å; V117-W174 HydrophobicContact CG2-CH2 4.48Å; V117-W174 HydrophobicContact CG2-CZ2 3.99Å; T167-W174 PolarHBondContact O-NE1 3.16Å; F168-W174 HydrophobicContact CD1-CZ2 4.43Å; T171-W174 HydrophobicContact CG2-CE3 4.02Å; T171-W174 HydrophobicContact CG2-CZ3 4.05Å; T171-W174 WeakPolarHBondContact O-CB 3.17Å; T171-W174 PolarHBondContact O-N 3.19Å; S172-W174 VanDerWaalsContact C-N 3.28Å; W174-I176 HydrophobicContact CB-CG2 4.1Å; W174-I176 PolarHBondContact O-N 3.39Å; W174-V177 HydrophobicContact CB-CG2 3.95Å; W174-V177 HydrophobicContact CE3-CG2 4.48Å; W174-V177 WeakPolarHBondContact O-CB 3.34Å; W174-V177 PolarHBondContact O-N 3.28Å; W174-L188 HydrophobicContact CE3-CB 4.1Å; W174-L188 HydrophobicContact CE3-CD1 4.24Å; W174-L188 HydrophobicContact CE3-CD2 4.29Å; W174-L188 HydrophobicContact CE3-CG 4.43Å; W174-L188 HydrophobicContact CZ3-CB 3.74Å; W174-L188 HydrophobicContact CZ3-CD1 4.5Å; W174-L188 HydrophobicContact CZ3-CD2 3.82Å; W174-L188 HydrophobicContact CZ3-CG 4.2Å; W174-I191 HydrophobicContact CH2-CG2 4.47Å; W174-C192 WeakPolarHBondContact CH2-SG 3.27Å; W174-C192 WeakPolarHBondContact CZ2-SG 3.4Å
175R81.4Confident83.6Confident77 Ų7755.5 Ų55.529%0.29130%0.295SS..G310 helixtrans-56.5-25.6177.3-65-178.5178-173.8-0.1113.2E107 V108 E109 W115 T173 V177 R178E107-R175 VanDerWaalsContact C-NH1 3.31Å; E107-R175 VanDerWaalsContact O-CZ 3.23Å; E107-R175 PolarHBondContact O-NH1 2.94Å; E107-R175 PolarHBondContact O-NH2 3.48Å; V108-R175 VanDerWaalsContact C-NH1 3.32Å; V108-R175 PolarHBondContact O-NH1 2.97Å; V108-R175 VanDerWaalsContact O-NH1 3.14Å; E109-R175 VanDerWaalsContact CG-NH1 3.32Å; W115-R175 HydrophobicContact CH2-CB 3.76Å; W115-R175 HydrophobicContact CZ2-CB 3.66Å; W115-R175 HydrophobicContact CZ3-CB 4.32Å; T173-R175 PolarHBondContact O-N 3.28Å; R175-V177 PolarHBondContact O-N 2.9Å; R175-V177 VanDerWaalsContact O-N 3.17Å; R175-R178 PolarHBondContact O-N 3.49Å
176I81.6Confident83.2Confident22 Ų2259.7 Ų59.711%0.11332%0.323CS..G310 helixtrans-62.2-18.9176-153.6162.5000114.1W115 V117 S118 L121 W174 G181 L188W115-I176 HydrophobicContact CE3-CB 3.76Å; W115-I176 HydrophobicContact CE3-CD1 4.23Å; W115-I176 HydrophobicContact CE3-CG1 4.09Å; W115-I176 VanDerWaalsContact CZ3-CA 3.48Å; W115-I176 HydrophobicContact CZ3-CB 3.7Å; W115-I176 HydrophobicContact CZ3-CG1 3.95Å; V117-I176 HydrophobicContact CG1-CG2 3.81Å; S118-I176 WeakPolarHBondContact OG-CD1 3.5Å; L121-I176 HydrophobicContact CD1-CD1 3.37Å; L121-I176 HydrophobicContact CD1-CG1 4.22Å; L121-I176 HydrophobicContact CG-CD1 4.33Å; W174-I176 HydrophobicContact CB-CG2 4.1Å; W174-I176 PolarHBondContact O-N 3.39Å; I176-G181 WeakPolarHBondContact O-CA 3.41Å; I176-L188 HydrophobicContact CG2-CD1 4.15Å
177V79Confident82.8Confident3 Ų361.2 Ų61.22%0.01834%0.338CS..G310 helixtrans-91.8-5.6-177.9-174.70000111.9W174 R175 E182 R185 L188W174-V177 HydrophobicContact CB-CG2 3.95Å; W174-V177 HydrophobicContact CE3-CG2 4.48Å; W174-V177 WeakPolarHBondContact O-CB 3.34Å; W174-V177 PolarHBondContact O-N 3.28Å; R175-V177 PolarHBondContact O-N 2.9Å; R175-V177 VanDerWaalsContact O-N 3.17Å; V177-E182 WeakPolarHBondContact O-CA 3.38Å; V177-E182 PolarHBondContact O-N 2.9Å; V177-R185 HydrophobicContact CG1-CB 3.65Å; V177-R185 HydrophobicContact CG1-CG 3.77Å; V177-R185 VanDerWaalsContact CG1-NE 3.32Å; V177-L188 HydrophobicContact CG2-CD1 3.56Å
178R80.1Confident82.6Confident174 Ų17460.7 Ų60.766%0.65734%0.335SS*.SBendtrans-84.5145.8177.8-61-175.6-179.3-173.4-1.6111.1R175 K180R175-R178 PolarHBondContact O-N 3.49Å; R178-K180 PolarHBondContact O-N 3.18Å
179G77.6Confident82.3Confident60 Ų6062.8 Ų62.862%0.61935%0.348SS*.G310 helixtrans65.2-124.4177.800000113G181 E182G179-G181 PolarHBondContact O-N 2.94Å; G179-E182 WeakPolarHBondContact O-CB 3.26Å; G179-E182 PolarHBondContact O-N 3.09Å; G179-E182 VanDerWaalsContact O-N 3.15Å
180K65.4Low82.2Confident218 Ų21871.3 Ų71.395%0.94838%0.379SS*.G310 helixtrans-61.2-17-177.5-66.5-175.2178.9-1790114.5R178R178-K180 PolarHBondContact O-N 3.18Å
181G70.3Confident82.3Confident11 Ų1170.7 Ų70.711%0.11338%0.375CS..G310 helixtrans-86.2-0.4178.700000115.2I176 G179 A183 L184I176-G181 WeakPolarHBondContact O-CA 3.41Å; G179-G181 PolarHBondContact O-N 2.94Å; G181-A183 PolarHBondContact O-N 3.39Å; G181-L184 WeakPolarHBondContact O-CB 3.47Å; G181-L184 PolarHBondContact O-N 3.28Å
182E78.6Confident82.5Confident106 Ų10670.5 Ų70.550%0.49537%0.374SS..G310 helixtrans-63.3-31.1-177.5-168.4152.1-13700112.7V177 G179 L184 R185V177-E182 WeakPolarHBondContact O-CA 3.38Å; V177-E182 PolarHBondContact O-N 2.9Å; G179-E182 WeakPolarHBondContact O-CB 3.26Å; G179-E182 PolarHBondContact O-N 3.09Å; G179-E182 VanDerWaalsContact O-N 3.15Å; E182-L184 PolarHBondContact O-N 3.4Å; E182-R185 WeakPolarHBondContact O-CB 3.24Å; E182-R185 PolarHBondContact O-N 3.02Å; E182-R185 IonicContact OE1-CZ 3.29Å; E182-R185 IonicContact OE1-NH1 2.74Å; E182-R185 IonicContact OE1-NH2 3.48Å; E182-R185 PolarHBondContact OE1-NH2 3.11Å
183A80.2Confident82.7Confident92 Ų9271.5 Ų71.576%0.7637%0.371SS*.G310 helixtrans-61.1-23.8172.900000113.6G181G181-A183 PolarHBondContact O-N 3.39Å
184L81.8Confident83Confident74 Ų7473.1 Ų73.139%0.38738%0.378SS..G310 helixtrans-86.4-9.2178-60172.8000112.7L121 G181 E182 A187 L188L121-L184 HydrophobicContact CD1-CD1 4.22Å; L121-L184 HydrophobicContact CD2-CD1 4.18Å; G181-L184 WeakPolarHBondContact O-CB 3.47Å; G181-L184 PolarHBondContact O-N 3.28Å; E182-L184 PolarHBondContact O-N 3.4Å; L184-A187 PolarHBondContact O-N 3.19Å; L184-L188 HydrophobicContact CB-CD1 3.92Å; L184-L188 HydrophobicContact CB-CG 4.38Å; L184-L188 WeakPolarHBondContact O-CB 3.43Å; L184-L188 WeakPolarHBondContact O-CG 3.47Å; L184-L188 PolarHBondContact O-N 2.87Å
185R85.8Confident83.3Confident102 Ų10273.1 Ų73.139%0.38538%0.378SS..Hα-helixtrans-52.9-47.3-176.1-171.5176.6-65.6172.811.6112.7V177 E182 A187 L188 T189V177-R185 HydrophobicContact CG1-CB 3.65Å; V177-R185 HydrophobicContact CG1-CG 3.77Å; V177-R185 VanDerWaalsContact CG1-NE 3.32Å; E182-R185 WeakPolarHBondContact O-CB 3.24Å; E182-R185 PolarHBondContact O-N 3.02Å; E182-R185 IonicContact OE1-CZ 3.29Å; E182-R185 IonicContact OE1-NH1 2.74Å; E182-R185 IonicContact OE1-NH2 3.48Å; E182-R185 PolarHBondContact OE1-NH2 3.11Å; R185-A187 PolarHBondContact O-N 3.04Å; R185-L188 PolarHBondContact O-N 3.24Å; R185-T189 WeakPolarHBondContact O-CB 3.49Å; R185-T189 PolarHBondContact O-N 2.98Å; R185-T189 PolarHBondContact O-OG1 2.94Å
186P85.7Confident83.8Confident89 Ų8970 Ų7058%0.57837%0.367SS*.Hα-helixtrans-62.2-41.2-178.3-22.934.7000113.4T189 R190P186-T189 PolarHBondContact O-N 3.43Å; P186-R190 PolarHBondContact O-N 3.3Å
187A85.1Confident84.2Confident61 Ų6170.3 Ų70.350%0.50438%0.375SS..Hα-helixtrans-68.4-40.9179.200000111.7L184 R185 R190 I191L184-A187 PolarHBondContact O-N 3.19Å; R185-A187 PolarHBondContact O-N 3.04Å; A187-R190 PolarHBondContact O-N 2.77Å; A187-I191 PolarHBondContact O-N 3.2Å
188L87.3Confident84.9Confident4 Ų472 Ų722%0.02138%0.383CS..Hα-helixtrans-69.7-34.5177.5-68.7174.7000112.1L121 T171 W174 I176 V177 L184 R185 I191 C192L121-L188 HydrophobicContact CD2-CD2 4.12Å; T171-L188 HydrophobicContact CG2-CB 3.87Å; W174-L188 HydrophobicContact CE3-CB 4.1Å; W174-L188 HydrophobicContact CE3-CD1 4.24Å; W174-L188 HydrophobicContact CE3-CD2 4.29Å; W174-L188 HydrophobicContact CE3-CG 4.43Å; W174-L188 HydrophobicContact CZ3-CB 3.74Å; W174-L188 HydrophobicContact CZ3-CD1 4.5Å; W174-L188 HydrophobicContact CZ3-CD2 3.82Å; W174-L188 HydrophobicContact CZ3-CG 4.2Å; I176-L188 HydrophobicContact CG2-CD1 4.15Å; V177-L188 HydrophobicContact CG2-CD1 3.56Å; L184-L188 HydrophobicContact CB-CD1 3.92Å; L184-L188 HydrophobicContact CB-CG 4.38Å; L184-L188 WeakPolarHBondContact O-CB 3.43Å; L184-L188 WeakPolarHBondContact O-CG 3.47Å; L184-L188 PolarHBondContact O-N 2.87Å; R185-L188 PolarHBondContact O-N 3.24Å; L188-I191 HydrophobicContact CD2-CD1 4.22Å; L188-I191 WeakPolarHBondContact O-CB 3.44Å; L188-I191 PolarHBondContact O-N 3.22Å; L188-I191 VanDerWaalsContact O-N 3.14Å; L188-C192 PolarHBondContact O-N 3Å; L188-C192 VanDerWaalsContact O-N 3.11Å
189T88.1Confident85.5Confident45 Ų4563.7 Ų63.728%0.27635%0.352SS..Hα-helixtrans-63.8-41.2174-620000111.2T171 R185 P186 I191 C192 E193T171-T189 PolarHBondContact OG1-OG1 3.34Å; R185-T189 WeakPolarHBondContact O-CB 3.49Å; R185-T189 PolarHBondContact O-N 2.98Å; R185-T189 PolarHBondContact O-OG1 2.94Å; P186-T189 PolarHBondContact O-N 3.43Å; T189-I191 PolarHBondContact O-N 3.06Å; T189-C192 WeakPolarHBondContact O-CB 3.43Å; T189-C192 PolarHBondContact O-N 3.26Å; T189-C192 VanDerWaalsContact O-N 3.07Å; T189-E193 WeakPolarHBondContact O-CG 3.38Å; T189-E193 PolarHBondContact O-N 3.28Å
190R87.9Confident86.1Confident188 Ų18862.5 Ų62.571%0.70933%0.331SS*.Hα-helixtrans-59.9-32.6172.7-73.7-176.1177.1-179.90.2113.1P186 A187 N194P186-R190 PolarHBondContact O-N 3.3Å; A187-R190 PolarHBondContact O-N 2.77Å; R190-N194 VanDerWaalsContact O-CB 3.31Å; R190-N194 WeakPolarHBondContact O-CB 3.48Å; R190-N194 PolarHBondContact O-N 3.37Å
191I89.7Confident87.3Confident30 Ų3060.1 Ų60.115%0.15432%0.324CS..Hα-helixtrans-66.4-46.3173.6-66.4178.8000110.3W129 L130 W174 A187 L188 T189 E193 N194 I195W129-I191 HydrophobicContact CZ3-CG2 4.03Å; L130-I191 HydrophobicContact CD1-CG2 3.93Å; W174-I191 HydrophobicContact CH2-CG2 4.47Å; A187-I191 PolarHBondContact O-N 3.2Å; L188-I191 HydrophobicContact CD2-CD1 4.22Å; L188-I191 WeakPolarHBondContact O-CB 3.44Å; L188-I191 PolarHBondContact O-N 3.22Å; L188-I191 VanDerWaalsContact O-N 3.14Å; T189-I191 PolarHBondContact O-N 3.06Å; I191-E193 VanDerWaalsContact C-N 3.35Å; I191-E193 PolarHBondContact O-N 3.12Å; I191-N194 WeakPolarHBondContact O-CB 3.2Å; I191-N194 PolarHBondContact O-N 2.98Å; I191-I195 HydrophobicContact CG2-CD1 3.96Å; I191-I195 WeakPolarHBondContact O-CG1 3.13Å; I191-I195 PolarHBondContact O-N 3.47Å
192C90.8Very high88.4Confident7 Ų763.5 Ų63.55%0.04734%0.335CS..Hα-helixtrans-59.2-43.7175-69.50000112.2W174 L188 T189 N194 I195 M196W174-C192 WeakPolarHBondContact CH2-SG 3.27Å; W174-C192 WeakPolarHBondContact CZ2-SG 3.4Å; L188-C192 PolarHBondContact O-N 3Å; L188-C192 VanDerWaalsContact O-N 3.11Å; T189-C192 WeakPolarHBondContact O-CB 3.43Å; T189-C192 PolarHBondContact O-N 3.26Å; T189-C192 VanDerWaalsContact O-N 3.07Å; C192-N194 VanDerWaalsContact C-N 3.33Å; C192-N194 PolarHBondContact O-N 3.05Å; C192-I195 PolarHBondContact O-N 3.17Å; C192-M196 WeakPolarHBondContact O-CB 3.38Å; C192-M196 PolarHBondContact O-N 3.38Å
193E88.7Confident88.9Confident92 Ų9260 Ų6043%0.4333%0.327SS..Hα-helixtrans-59.7-42.4174.7-71.1167.8-177.500111.7T189 I191 M196 G197 A241T189-E193 WeakPolarHBondContact O-CG 3.38Å; T189-E193 PolarHBondContact O-N 3.28Å; I191-E193 VanDerWaalsContact C-N 3.35Å; I191-E193 PolarHBondContact O-N 3.12Å; E193-M196 PolarHBondContact O-N 3.48Å; E193-G197 PolarHBondContact O-N 2.86Å; E193-A241 HydrophobicContact CG-CB 4.39Å
194N91.4Very high89.6Confident80 Ų8055.6 Ų55.643%0.42829%0.291SS..Hα-helixtrans-66.7-38.9178-168.6-69.3000112.5K134 R190 I191 C192 H198K134-N194 WeakPolarHBondContact CE-OD1 3.44Å; K134-N194 PolarHBondContact NZ-OD1 3.28Å; R190-N194 VanDerWaalsContact O-CB 3.31Å; R190-N194 WeakPolarHBondContact O-CB 3.48Å; R190-N194 PolarHBondContact O-N 3.37Å; I191-N194 WeakPolarHBondContact O-CB 3.2Å; I191-N194 PolarHBondContact O-N 2.98Å; C192-N194 VanDerWaalsContact C-N 3.33Å; C192-N194 PolarHBondContact O-N 3.05Å; N194-H198 PolarHBondContact O-N 3.1Å; N194-H198 VanDerWaalsContact O-N 3.13Å
195I93.1Very high90.2Very high0 Ų052.6 Ų52.60%027%0.274CS..Hα-helixtrans-62.9-48.8172.4-68.8168.3000109.7L130 I133 K134 L137 T169 I191 C192 G197 H198 L199L130-I195 HydrophobicContact CD1-CD1 4Å; L130-I195 HydrophobicContact CD1-CG1 3.57Å; I133-I195 HydrophobicContact CG2-CD1 3.77Å; I133-I195 HydrophobicContact CG2-CG1 4.24Å; K134-I195 HydrophobicContact CG-CG1 4.35Å; L137-I195 HydrophobicContact CD1-CG2 3.45Å; L137-I195 VanDerWaalsContact CD1-CG2 3.45Å; T169-I195 HydrophobicContact CG2-CG2 4.29Å; I191-I195 HydrophobicContact CG2-CD1 3.96Å; I191-I195 WeakPolarHBondContact O-CG1 3.13Å; I191-I195 PolarHBondContact O-N 3.47Å; C192-I195 PolarHBondContact O-N 3.17Å; I195-G197 PolarHBondContact O-N 3.01Å; I195-H198 WeakPolarHBondContact O-CB 3.34Å; I195-H198 PolarHBondContact O-N 2.95Å; I195-H198 VanDerWaalsContact O-N 3.16Å; I195-L199 HydrophobicContact CG2-CD1 4.33Å; I195-L199 WeakPolarHBondContact O-CG 3.41Å; I195-L199 PolarHBondContact O-N 2.9Å
196M91.3Very high90.6Very high11 Ų1149.9 Ų49.95%0.05427%0.271CS..Hα-helixtrans-63.6-42.8-178.7-166.363.584.300112T169 C192 E193 H198 L199 N200 F204 L234 R237 P238T169-M196 VanDerWaalsContact CB-CE 3.42Å; T169-M196 HydrophobicContact CG2-CE 3.53Å; T169-M196 HydrophobicContact CG2-SD 4.25Å; C192-M196 WeakPolarHBondContact O-CB 3.38Å; C192-M196 PolarHBondContact O-N 3.38Å; E193-M196 PolarHBondContact O-N 3.48Å; M196-H198 VanDerWaalsContact C-N 3.28Å; M196-H198 PolarHBondContact O-N 3.36Å; M196-L199 PolarHBondContact O-N 3.44Å; M196-L199 VanDerWaalsContact O-N 3.17Å; M196-L199 HydrophobicContact SD-CD1 4.48Å; M196-N200 PolarHBondContact O-N 2.98Å; M196-F204 HydrophobicContact SD-CD1 4.35Å; M196-F204 HydrophobicContact SD-CE1 4.04Å; M196-L234 HydrophobicContact CE-CD2 4.32Å; M196-R237 HydrophobicContact CE-CB 4.14Å; M196-P238 HydrophobicContact CE-CG 4.49Å; M196-P238 HydrophobicContact CG-CB 3.87Å; M196-P238 HydrophobicContact CG-CG 3.62Å; M196-P238 HydrophobicContact SD-CG 3.95Å
197G90.4Very high91Very high29 Ų2946 Ų4630%0.29925%0.245SC..Hα-helixtrans-58-39.8173.700000112.4E193 I195 N200 Q201E193-G197 PolarHBondContact O-N 2.86Å; I195-G197 PolarHBondContact O-N 3.01Å; G197-N200 PolarHBondContact O-N 3.36Å; G197-Q201 WeakPolarHBondContact O-CG 3.14Å; G197-Q201 PolarHBondContact O-N 3.48Å; G197-Q201 VanDerWaalsContact O-N 3.07Å
198H92.9Very high91.4Very high38 Ų3843 Ų4318%0.17622%0.221CC..Hα-helixtrans-65-42.1174.9-17872.6000113K134 N194 I195 M196 K202K134-H198 HydrophobicContact CD-CB 3.92Å; K134-H198 HydrophobicContact CG-CB 4.16Å; N194-H198 PolarHBondContact O-N 3.1Å; N194-H198 VanDerWaalsContact O-N 3.13Å; I195-H198 WeakPolarHBondContact O-CB 3.34Å; I195-H198 PolarHBondContact O-N 2.95Å; I195-H198 VanDerWaalsContact O-N 3.16Å; M196-H198 VanDerWaalsContact C-N 3.28Å; M196-H198 PolarHBondContact O-N 3.36Å; H198-K202 VanDerWaalsContact CE1-CE 3.45Å; H198-K202 WeakPolarHBondContact CE1-CE 3.42Å; H198-K202 VanDerWaalsContact NE2-CE 3.32Å; H198-K202 WeakPolarHBondContact NE2-CE 3.31Å; H198-K202 PolarHBondContact NE2-NZ 3.13Å; H198-K202 PolarHBondContact O-N 3.31Å
199L93.4Very high91.8Very high0 Ų044.7 Ų44.70%023%0.229CC..Hα-helixtrans-64.6-44.3177.3-65.1175.7000110.7L137 W138 L165 T169 I195 M196 Q201 K202 G203 F204L137-L199 HydrophobicContact CB-CD1 4.37Å; L137-L199 HydrophobicContact CB-CD2 4.07Å; W138-L199 HydrophobicContact CB-CD2 4.32Å; W138-L199 HydrophobicContact CE3-CD2 4.24Å; L165-L199 HydrophobicContact CD2-CD1 3.82Å; T169-L199 HydrophobicContact CG2-CD1 4.45Å; I195-L199 HydrophobicContact CG2-CD1 4.33Å; I195-L199 WeakPolarHBondContact O-CG 3.41Å; I195-L199 PolarHBondContact O-N 2.9Å; M196-L199 PolarHBondContact O-N 3.44Å; M196-L199 VanDerWaalsContact O-N 3.17Å; M196-L199 HydrophobicContact SD-CD1 4.48Å; L199-Q201 PolarHBondContact O-N 2.81Å; L199-K202 PolarHBondContact O-N 3.07Å; L199-K202 VanDerWaalsContact O-N 3.1Å; L199-G203 PolarHBondContact O-N 3.29Å; L199-F204 HydrophobicContact CB-CB 4.1Å; L199-F204 HydrophobicContact CB-CD2 4.36Å; L199-F204 HydrophobicContact CB-CG 4.21Å; L199-F204 WeakPolarHBondContact O-CB 3.44Å; L199-F204 PolarHBondContact O-N 3.36Å
200N90.8Very high92Very high35 Ų3544.8 Ų44.819%0.18723%0.227CC..Hα-helixtrans-60.5-45.8178.9-73.5-12.3000112.5M196 G197 K202 G203 F204 P238M196-N200 PolarHBondContact O-N 2.98Å; G197-N200 PolarHBondContact O-N 3.36Å; N200-K202 PolarHBondContact O-N 3.16Å; N200-K202 VanDerWaalsContact O-N 3.13Å; N200-G203 PolarHBondContact O-N 2.65Å; N200-F204 WeakPolarHBondContact OD1-CD1 3.29Å; N200-P238 WeakPolarHBondContact ND2-CB 3.38Å
201Q91.1Very high92.2Very high169 Ų16935.8 Ų35.879%0.7919%0.193SC*.Hα-helixtrans-58.3-26.1176.4-75.4173.32.400113.3G197 L199G197-Q201 WeakPolarHBondContact O-CG 3.14Å; G197-Q201 PolarHBondContact O-N 3.48Å; G197-Q201 VanDerWaalsContact O-N 3.07Å; L199-Q201 PolarHBondContact O-N 2.81Å
202K91.6Very high92.4Very high82 Ų8234.6 Ų34.636%0.35719%0.187SC..THydrogen-bonded Turntrans-91.3-2178.4-72.7-173.2165.3171.10114.1W138 H198 L199 N200W138-K202 HydrophobicContact CD2-CB 3.98Å; W138-K202 HydrophobicContact CD2-CD 3.55Å; W138-K202 HydrophobicContact CD2-CG 4.44Å; W138-K202 HydrophobicContact CE3-CB 3.69Å; W138-K202 HydrophobicContact CE3-CD 4.01Å; W138-K202 HydrophobicContact CG-CD 3.77Å; W138-K202 HydrophobicContact CH2-CB 3.48Å; W138-K202 VanDerWaalsContact CH2-CB 3.48Å; W138-K202 WeakPolarHBondContact CH2-O 3.24Å; W138-K202 HydrophobicContact CZ2-CB 3.69Å; W138-K202 HydrophobicContact CZ2-CD 4.21Å; W138-K202 HydrophobicContact CZ2-CG 4.48Å; W138-K202 HydrophobicContact CZ3-CB 3.45Å; W138-K202 VanDerWaalsContact CZ3-CB 3.45Å; H198-K202 VanDerWaalsContact CE1-CE 3.45Å; H198-K202 WeakPolarHBondContact CE1-CE 3.42Å; H198-K202 VanDerWaalsContact NE2-CE 3.32Å; H198-K202 WeakPolarHBondContact NE2-CE 3.31Å; H198-K202 PolarHBondContact NE2-NZ 3.13Å; H198-K202 PolarHBondContact O-N 3.31Å; L199-K202 PolarHBondContact O-N 3.07Å; L199-K202 VanDerWaalsContact O-N 3.1Å; N200-K202 PolarHBondContact O-N 3.16Å; N200-K202 VanDerWaalsContact O-N 3.13Å
203G90.3Very high92.4Very high31 Ų3135.6 Ų35.632%0.3219%0.193SC..THydrogen-bonded Turntrans99.436.1177.900000114.7L199 N200 Y205 S206 I207L199-G203 PolarHBondContact O-N 3.29Å; N200-G203 PolarHBondContact O-N 2.65Å; G203-Y205 PolarHBondContact O-N 3.43Å; G203-S206 PolarHBondContact O-N 2.94Å; G203-I207 PolarHBondContact O-N 2.99Å
204F94.1Very high92.5Very high1 Ų133.9 Ų33.90%0.00419%0.186CC..Hα-helixtrans-52.9-45.7178.7-177.4-125.4000114.2L165 M196 L199 N200 S206 I207 L208 L234L165-F204 HydrophobicContact CD1-CE2 4.09Å; L165-F204 HydrophobicContact CD2-CE2 4.31Å; M196-F204 HydrophobicContact SD-CD1 4.35Å; M196-F204 HydrophobicContact SD-CE1 4.04Å; L199-F204 HydrophobicContact CB-CB 4.1Å; L199-F204 HydrophobicContact CB-CD2 4.36Å; L199-F204 HydrophobicContact CB-CG 4.21Å; L199-F204 WeakPolarHBondContact O-CB 3.44Å; L199-F204 PolarHBondContact O-N 3.36Å; N200-F204 WeakPolarHBondContact OD1-CD1 3.29Å; F204-S206 VanDerWaalsContact C-N 3.35Å; F204-S206 PolarHBondContact O-N 3.03Å; F204-I207 WeakPolarHBondContact O-CB 3.39Å; F204-I207 PolarHBondContact O-N 3.28Å; F204-I207 VanDerWaalsContact O-N 3.08Å; F204-L208 HydrophobicContact CD1-CD1 4.15Å; F204-L208 HydrophobicContact CE1-CD1 3.62Å; F204-L208 HydrophobicContact CE1-CG 4.24Å; F204-L208 HydrophobicContact CE2-CD1 4.39Å; F204-L208 HydrophobicContact CE2-CD2 3.97Å; F204-L208 HydrophobicContact CE2-CG 4.18Å; F204-L208 HydrophobicContact CZ-CD1 3.76Å; F204-L208 HydrophobicContact CZ-CD2 3.96Å; F204-L208 HydrophobicContact CZ-CG 4.05Å; F204-L208 PolarHBondContact O-N 3.08Å; F204-L208 VanDerWaalsContact O-N 3.12Å; F204-L234 HydrophobicContact CE1-CB 4.43Å; F204-L234 HydrophobicContact CZ-CB 4.11Å
205Y94.4Very high92.4Very high10 Ų1030 Ų304%0.03917%0.166CC..Hα-helixtrans-60.9-39.4-179.4-78.9-78000113.5G203 I207 L208 Q209 S235 V239 L248 F252 H255 I256G203-Y205 PolarHBondContact O-N 3.43Å; Y205-I207 PolarHBondContact O-N 2.96Å; Y205-L208 PolarHBondContact O-N 3.44Å; Y205-Q209 PolarHBondContact O-N 3.14Å; Y205-S235 PolarHBondContact OH-O 3.2Å; Y205-S235 VanDerWaalsContact OH-O 3.07Å; Y205-V239 VanDerWaalsContact OH-CG2 3.24Å; Y205-V239 WeakPolarHBondContact OH-CG2 3.36Å; Y205-L248 HydrophobicContact CE2-CD2 4.07Å; Y205-F252 HydrophobicContact CE1-CB 4.46Å; Y205-F252 HydrophobicContact CE1-CD2 4.14Å; Y205-H255 VanDerWaalsContact CB-CD2 3.48Å; Y205-H255 WeakPolarHBondContact CB-CD2 3.23Å; Y205-H255 HydrophobicContact CD1-CB 4.47Å; Y205-I256 HydrophobicContact CD1-CD1 4.25Å; Y205-I256 HydrophobicContact CD1-CG1 4.03Å; Y205-I256 HydrophobicContact CE1-CG1 4.27Å
206S94.5Very high92.2Very high46 Ų4630 Ų3032%0.32217%0.166SC..Hα-helixtrans-61.6-33.5176.2174.60000112G203 F204 I210G203-S206 PolarHBondContact O-N 2.94Å; F204-S206 VanDerWaalsContact C-N 3.35Å; F204-S206 PolarHBondContact O-N 3.03Å; S206-I210 WeakPolarHBondContact O-CG1 3.33Å; S206-I210 PolarHBondContact O-N 3.41Å; S206-I210 VanDerWaalsContact O-N 3.16Å
207I94Very high92Very high6 Ų629.9 Ų29.93%0.03117%0.167CC..Hα-helixtrans-71.9-42.4177.3-64.2171.5000110.6W138 C141 L144 G203 F204 Y205 Q209 I210 L211W138-I207 HydrophobicContact CH2-CD1 3.67Å; W138-I207 HydrophobicContact CZ3-CD1 3.64Å; C141-I207 HydrophobicContact CB-CD1 3.51Å; C141-I207 HydrophobicContact CB-CG2 4.19Å; C141-I207 WeakPolarHBondContact O-CG2 3.42Å; L144-I207 HydrophobicContact CB-CG2 4.11Å; G203-I207 PolarHBondContact O-N 2.99Å; F204-I207 WeakPolarHBondContact O-CB 3.39Å; F204-I207 PolarHBondContact O-N 3.28Å; F204-I207 VanDerWaalsContact O-N 3.08Å; Y205-I207 PolarHBondContact O-N 2.96Å; I207-Q209 VanDerWaalsContact C-N 3.33Å; I207-I210 PolarHBondContact O-N 3.11Å; I207-L211 PolarHBondContact O-N 3.27Å; I207-L211 VanDerWaalsContact O-N 3.11Å
208L94.6Very high91.8Very high0 Ų031.2 Ų31.20%016%0.163CC..Hα-helixtrans-63.6-39.9175.1-62.2-171.9000111.7F204 Y205 L211 L212 V231 I256F204-L208 HydrophobicContact CD1-CD1 4.15Å; F204-L208 HydrophobicContact CE1-CD1 3.62Å; F204-L208 HydrophobicContact CE1-CG 4.24Å; F204-L208 HydrophobicContact CE2-CD1 4.39Å; F204-L208 HydrophobicContact CE2-CD2 3.97Å; F204-L208 HydrophobicContact CE2-CG 4.18Å; F204-L208 HydrophobicContact CZ-CD1 3.76Å; F204-L208 HydrophobicContact CZ-CD2 3.96Å; F204-L208 HydrophobicContact CZ-CG 4.05Å; F204-L208 PolarHBondContact O-N 3.08Å; F204-L208 VanDerWaalsContact O-N 3.12Å; Y205-L208 PolarHBondContact O-N 3.44Å; L208-L211 PolarHBondContact O-N 3.29Å; L208-L212 WeakPolarHBondContact O-CB 3.33Å; L208-L212 VanDerWaalsContact O-CG 3.29Å; L208-L212 WeakPolarHBondContact O-CG 3.4Å; L208-L212 PolarHBondContact O-N 3.11Å; L208-V231 HydrophobicContact CB-CG1 4.39Å; L208-V231 HydrophobicContact CD2-CG1 4.23Å; L208-I256 HydrophobicContact CB-CD1 3.98Å; L208-I256 HydrophobicContact CD1-CD1 4.4Å
209Q94.1Very high91.1Very high39 Ų3932.8 Ų32.818%0.18218%0.178CC..Hα-helixtrans-56.4-52174.4-175.1-178.415.500111Y205 I207 L211 L212 T213 H255 V259Y205-Q209 PolarHBondContact O-N 3.14Å; I207-Q209 VanDerWaalsContact C-N 3.33Å; Q209-L211 VanDerWaalsContact C-N 3.29Å; Q209-L211 PolarHBondContact O-N 3.05Å; Q209-L212 PolarHBondContact O-N 3.36Å; Q209-T213 WeakPolarHBondContact O-CB 3.18Å; Q209-T213 PolarHBondContact O-N 3.03Å; Q209-T213 PolarHBondContact O-OG1 2.94Å; Q209-H255 WeakPolarHBondContact CA-O 3.34Å; Q209-H255 HydrophobicContact CB-CB 4.08Å; Q209-H255 VanDerWaalsContact CB-O 3.23Å; Q209-H255 WeakPolarHBondContact CB-O 3.46Å; Q209-H255 WeakPolarHBondContact CG-O 3.35Å; Q209-H255 PolarHBondContact OE1-ND1 3.22Å; Q209-V259 HydrophobicContact CG-CG2 4.38Å
210I92.4Very high90.5Very high46 Ų4641 Ų4124%0.23621%0.213CC..Hα-helixtrans-58.9-43.1-179.7-68.3166.4000110.9K145 S206 I207 N214K145-I210 HydrophobicContact CD-CD1 4.09Å; K145-I210 HydrophobicContact CG-CD1 3.81Å; S206-I210 WeakPolarHBondContact O-CG1 3.33Å; S206-I210 PolarHBondContact O-N 3.41Å; S206-I210 VanDerWaalsContact O-N 3.16Å; I207-I210 PolarHBondContact O-N 3.11Å; I210-N214 WeakPolarHBondContact O-CB 3.33Å; I210-N214 PolarHBondContact O-N 3.48Å; I210-N214 PolarHBondContact O-ND2 2.87Å
211L93.1Very high90.2Very high0 Ų041.4 Ų41.40%022%0.218CC..Hα-helixtrans-64.5-43.7178.5-177.964.4000112.1L144 P149 V158 L162 I207 L208 Q209 G215 V231L144-L211 HydrophobicContact CD2-CD2 4.2Å; P149-L211 HydrophobicContact CG-CD1 3.87Å; V158-L211 HydrophobicContact CG1-CD1 3.97Å; V158-L211 HydrophobicContact CG1-CD2 4.19Å; V158-L211 HydrophobicContact CG2-CD1 3.98Å; L162-L211 HydrophobicContact CD1-CD2 4.13Å; L162-L211 HydrophobicContact CD2-CD2 4.15Å; L162-L211 HydrophobicContact CG-CD2 4.44Å; I207-L211 PolarHBondContact O-N 3.27Å; I207-L211 VanDerWaalsContact O-N 3.11Å; L208-L211 PolarHBondContact O-N 3.29Å; Q209-L211 VanDerWaalsContact C-N 3.29Å; Q209-L211 PolarHBondContact O-N 3.05Å; L211-G215 PolarHBondContact O-N 3.21Å; L211-V231 HydrophobicContact CD2-CG2 3.78Å
212L93.5Very high90.1Very high4 Ų434.5 Ų34.52%0.02119%0.189CC..Hα-helixtrans-66.2-46.2177.7-74.9168.2000111.2L208 Q209 G215 L216 L223 L228 V231 I256 V259L208-L212 WeakPolarHBondContact O-CB 3.33Å; L208-L212 VanDerWaalsContact O-CG 3.29Å; L208-L212 WeakPolarHBondContact O-CG 3.4Å; L208-L212 PolarHBondContact O-N 3.11Å; Q209-L212 PolarHBondContact O-N 3.36Å; L212-G215 CarbonylContact O-C 3.46Å; L212-G215 PolarHBondContact O-N 2.86Å; L212-G215 VanDerWaalsContact O-N 3.08Å; L212-L216 HydrophobicContact CB-CD1 4.5Å; L212-L216 HydrophobicContact CD2-CD1 3.87Å; L212-L216 VanDerWaalsContact O-CB 3.26Å; L212-L216 WeakPolarHBondContact O-CB 3.48Å; L212-L216 WeakPolarHBondContact O-CG 3.36Å; L212-L216 PolarHBondContact O-N 2.85Å; L212-L223 HydrophobicContact CD2-CD1 4.14Å; L212-L228 HydrophobicContact CD2-CD1 3.91Å; L212-V231 HydrophobicContact CD1-CG1 3.85Å; L212-V231 HydrophobicContact CD2-CB 4.39Å; L212-V231 HydrophobicContact CD2-CG1 3.7Å; L212-V231 HydrophobicContact CG-CG1 3.69Å; L212-I256 HydrophobicContact CD1-CD1 3.76Å; L212-I256 HydrophobicContact CD1-CG2 4.28Å; L212-V259 HydrophobicContact CB-CB 4.47Å; L212-V259 HydrophobicContact CB-CG1 3.96Å; L212-V259 HydrophobicContact CB-CG2 3.86Å; L212-V259 HydrophobicContact CD1-CG2 4.22Å
213T91.3Very high90Very high28 Ų2831 Ų3117%0.17217%0.174CC..Hα-helixtrans-60.4-48176.9-58.10000110.9Q209 G215 L216 A217Q209-T213 WeakPolarHBondContact O-CB 3.18Å; Q209-T213 PolarHBondContact O-N 3.03Å; Q209-T213 PolarHBondContact O-OG1 2.94Å; T213-G215 PolarHBondContact O-N 3.41Å; T213-L216 PolarHBondContact O-N 3.42Å; T213-A217 HydrophobicContact CG2-CB 3.9Å; T213-A217 WeakPolarHBondContact O-CB 3.33Å; T213-A217 PolarHBondContact O-N 3.36Å
214N89.4Confident89.9Confident56 Ų5632 Ų3230%0.29918%0.176SC..Hα-helixtrans-60.4-29.4176.1-71.8-13.4000112.5P149 I210 R218P149-N214 HydrophobicContact CG-CB 4.49Å; I210-N214 WeakPolarHBondContact O-CB 3.33Å; I210-N214 PolarHBondContact O-N 3.48Å; I210-N214 PolarHBondContact O-ND2 2.87Å; N214-R218 PolarHBondContact O-NE 2.93Å; N214-R218 PolarHBondContact O-NH2 3.4Å
215G89Confident89.8Confident0 Ų036.9 Ų36.90%020%0.197CC..Hα-helixtrans-86.7-34.6-17800000115.7L211 L212 T213 P221 S222L211-G215 PolarHBondContact O-N 3.21Å; L212-G215 CarbonylContact O-C 3.46Å; L212-G215 PolarHBondContact O-N 2.86Å; L212-G215 VanDerWaalsContact O-N 3.08Å; T213-G215 PolarHBondContact O-N 3.41Å; G215-P221 WeakPolarHBondContact O-CA 3.23Å; G215-S222 WeakPolarHBondContact CA-OG 3.47Å; G215-S222 PolarHBondContact O-N 2.74Å; G215-S222 PolarHBondContact O-OG 3.2Å
216L90.1Very high89.5Confident0 Ų038.7 Ų38.70%022%0.219CC..Hα-helixtrans-117.6-23.5-165.8-58.2-178.4000114L212 T213 R218 P221 L223 L228 V259 V262 H265L212-L216 HydrophobicContact CB-CD1 4.5Å; L212-L216 HydrophobicContact CD2-CD1 3.87Å; L212-L216 VanDerWaalsContact O-CB 3.26Å; L212-L216 WeakPolarHBondContact O-CB 3.48Å; L212-L216 WeakPolarHBondContact O-CG 3.36Å; L212-L216 PolarHBondContact O-N 2.85Å; T213-L216 PolarHBondContact O-N 3.42Å; L216-R218 PolarHBondContact O-N 3.29Å; L216-P221 HydrophobicContact CD2-CB 3.8Å; L216-L223 HydrophobicContact CD2-CD1 4.08Å; L216-L223 HydrophobicContact CG-CD1 4.09Å; L216-L228 HydrophobicContact CD1-CD1 4.17Å; L216-V259 HydrophobicContact CB-CG1 4.33Å; L216-V259 HydrophobicContact CD1-CG1 4.2Å; L216-V262 HydrophobicContact CD1-CB 4.39Å; L216-V262 HydrophobicContact CD1-CG2 3.91Å; L216-H265 HydrophobicContact CD2-CB 4.16Å
217A87.7Confident89.4Confident8 Ų836.7 Ų36.77%0.06621%0.205CC..SBendtrans-76.668.6178.700000111.1T213 P260 G372T213-A217 HydrophobicContact CG2-CB 3.9Å; T213-A217 WeakPolarHBondContact O-CB 3.33Å; T213-A217 PolarHBondContact O-N 3.36Å; A217-P260 HydrophobicContact CB-CG 4.18Å; A217-G372 CarbonylContact C-O 3.52Å; A217-G372 VanDerWaalsContact C-O 3.28Å; A217-G372 CarbonylContact O-C 3.04Å; A217-G372 WeakPolarHBondContact O-CA 3.23Å
218R85.4Confident89.3Confident56 Ų5636.5 Ų36.521%0.21120%0.204CC..SBendtrans-167.7166.4-175.249.8-179.975.5-154.98.5110.1D150 N214 L216 K220D150-R218 IonicContact OD1-NH2 2.62Å; D150-R218 PolarHBondContact OD1-NH2 3.39Å; N214-R218 PolarHBondContact O-NE 2.93Å; N214-R218 PolarHBondContact O-NH2 3.4Å; L216-R218 PolarHBondContact O-N 3.29Å; R218-K220 WeakPolarHBondContact CD-O 3.37Å; R218-K220 WeakPolarHBondContact CG-O 3.45Å
219S77.6Confident89.3Confident71 Ų7137.9 Ų37.950%0.49721%0.212SC..SBendtrans-66.4-37.2179.355.10000113.6E375S219-E375 WeakPolarHBondContact CB-OE1 3.43Å; S219-E375 PolarHBondContact N-OE1 2.83Å; S219-E375 PolarHBondContact OG-OE1 2.83Å
220K81.6Confident89.2Confident172 Ų17236.9 Ų36.975%0.74821%0.211SC*.SBendtrans-122.5122.4175.7-68.6-178.8-178.8177.20110.4R218R218-K220 WeakPolarHBondContact CD-O 3.37Å; R218-K220 WeakPolarHBondContact CG-O 3.45Å
221P85.3Confident89.3Confident45 Ų4534.7 Ų34.729%0.29220%0.2SC..  trans-64.9140-177.127-33.7000111.2G215 L216 L269G215-P221 WeakPolarHBondContact O-CA 3.23Å; L216-P221 HydrophobicContact CD2-CB 3.8Å; P221-L269 HydrophobicContact CB-CD1 4.29Å; P221-L269 HydrophobicContact CG-CD1 3.83Å
222S88.5Confident89.3Confident24 Ų2435 Ų3517%0.16820%0.201CC..  trans-96.7-10.317858.90000113.6N155 G215N155-S222 PolarHBondContact ND2-O 3.11Å; G215-S222 WeakPolarHBondContact CA-OG 3.47Å; G215-S222 PolarHBondContact O-N 2.74Å; G215-S222 PolarHBondContact O-OG 3.2Å
223L88.9Confident89.3Confident7 Ų736.1 Ų36.14%0.03721%0.209CC..SBendtrans-78.8132.9175.7-63.5172.7000110.7P149 L212 L216 T227 L228P149-L223 HydrophobicContact CB-CD2 3.75Å; P149-L223 HydrophobicContact CG-CD2 3.84Å; L212-L223 HydrophobicContact CD2-CD1 4.14Å; L216-L223 HydrophobicContact CD2-CD1 4.08Å; L216-L223 HydrophobicContact CG-CD1 4.09Å; L223-T227 HydrophobicContact CD2-CG2 3.72Å; L223-L228 HydrophobicContact CB-CB 4.47Å; L223-L228 HydrophobicContact CD1-CD1 4.35Å
224S89.4Confident89.4Confident53 Ų5334.8 Ų34.837%0.37120%0.201SC..  trans-70.2160.1172.782.40000111.3G226 T227 L228S224-G226 VanDerWaalsContact C-N 3.28Å; S224-G226 PolarHBondContact O-N 2.93Å; S224-T227 PolarHBondContact O-N 2.95Å; S224-T227 VanDerWaalsContact O-N 3.11Å; S224-T227 PolarHBondContact OG-N 3.14Å; S224-T227 PolarHBondContact OG-OG1 2.75Å; S224-L228 PolarHBondContact O-N 3.08Å
225K90.3Very high89.6Confident103 Ų10332.1 Ų32.145%0.44819%0.187SC..Hα-helixtrans-46.8-52.1173.2178.7178.7-179.7-167.80111.3T227 L228 T229 L269 T270 E272K225-T227 PolarHBondContact O-N 3.42Å; K225-L228 PolarHBondContact O-N 2.86Å; K225-T229 WeakPolarHBondContact O-CB 3.29Å; K225-T229 PolarHBondContact O-N 3.08Å; K225-T229 PolarHBondContact O-OG1 3.02Å; K225-L269 WeakPolarHBondContact CD-O 3.32Å; K225-L269 WeakPolarHBondContact CG-O 2.91Å; K225-T270 HydrophobicContact CG-CG2 3.92Å; K225-T270 WeakPolarHBondContact O-CG2 3.43Å; K225-E272 IonicContact NZ-OE1 3.63Å; K225-E272 PolarHBondContact NZ-OE1 3.28Å
226G88.8Confident89.8Confident48 Ų4832.4 Ų32.450%0.49519%0.188SC..Hα-helixtrans-65-38.6-178.200000113.5S224 A230S224-G226 VanDerWaalsContact C-N 3.28Å; S224-G226 PolarHBondContact O-N 2.93Å; G226-A230 WeakPolarHBondContact O-CB 3.45Å; G226-A230 PolarHBondContact O-N 2.79Å
227T91.9Very high89.8Confident5 Ų535 Ų353%0.03120%0.198CC..Hα-helixtrans-65.4-46.1177.5-46.30000111.1V158 L162 L223 S224 K225 A230 V231V158-T227 HydrophobicContact CG1-CG2 3.67Å; L162-T227 HydrophobicContact CD1-CG2 3.42Å; L162-T227 VanDerWaalsContact CD1-CG2 3.42Å; L223-T227 HydrophobicContact CD2-CG2 3.72Å; S224-T227 PolarHBondContact O-N 2.95Å; S224-T227 VanDerWaalsContact O-N 3.11Å; S224-T227 PolarHBondContact OG-N 3.14Å; S224-T227 PolarHBondContact OG-OG1 2.75Å; K225-T227 PolarHBondContact O-N 3.42Å; T227-A230 PolarHBondContact O-N 3.42Å; T227-V231 WeakPolarHBondContact O-CG2 3.45Å; T227-V231 PolarHBondContact O-N 2.95Å
228L93.3Very high89.9Confident1 Ų134.9 Ų34.91%0.00520%0.197CC..Hα-helixtrans-65.5-43.9179.4-176.860.1000111.5L212 L216 L223 S224 K225 A230 V231 F232 H265 L266 L269 T270L212-L228 HydrophobicContact CD2-CD1 3.91Å; L216-L228 HydrophobicContact CD1-CD1 4.17Å; L223-L228 HydrophobicContact CB-CB 4.47Å; L223-L228 HydrophobicContact CD1-CD1 4.35Å; S224-L228 PolarHBondContact O-N 3.08Å; K225-L228 PolarHBondContact O-N 2.86Å; L228-A230 VanDerWaalsContact C-N 3.34Å; L228-A230 PolarHBondContact O-N 2.86Å; L228-V231 PolarHBondContact O-N 3.12Å; L228-F232 WeakPolarHBondContact O-CB 3.44Å; L228-F232 PolarHBondContact O-N 3.09Å; L228-H265 HydrophobicContact CD2-CB 4.33Å; L228-L266 HydrophobicContact CD1-CD2 4.17Å; L228-L266 HydrophobicContact CD2-CD2 4.04Å; L228-L266 HydrophobicContact CG-CD2 3.87Å; L228-L269 HydrophobicContact CD2-CB 4.24Å; L228-L269 HydrophobicContact CD2-CD1 4.07Å; L228-T270 HydrophobicContact CB-CG2 4.23Å; L228-T270 HydrophobicContact CD2-CG2 4.19Å; L228-T270 HydrophobicContact CG-CG2 4.28Å
229T93.3Very high90.2Very high29 Ų2932.3 Ų32.318%0.17819%0.187CC..Hα-helixtrans-57.4-47.4173.2-60.40000111.2K225 V231 F232 S233 T270K225-T229 WeakPolarHBondContact O-CB 3.29Å; K225-T229 PolarHBondContact O-N 3.08Å; K225-T229 PolarHBondContact O-OG1 3.02Å; T229-V231 PolarHBondContact O-N 2.8Å; T229-F232 PolarHBondContact O-N 3.4Å; T229-S233 WeakPolarHBondContact O-CB 3.44Å; T229-S233 PolarHBondContact O-N 3.13Å; T229-S233 PolarHBondContact O-OG 3.05Å; T229-S233 VanDerWaalsContact O-OG 3.07Å; T229-T270 WeakPolarHBondContact OG1-CG2 3.41Å
230A92.6Very high90.8Very high19 Ų1931 Ų3116%0.15718%0.176CC..Hα-helixtrans-60.4-46.4179.600000112.2L162 V166 G226 T227 L228 L234L162-A230 HydrophobicContact CB-CB 4.41Å; V166-A230 HydrophobicContact CG2-CB 3.86Å; G226-A230 WeakPolarHBondContact O-CB 3.45Å; G226-A230 PolarHBondContact O-N 2.79Å; T227-A230 PolarHBondContact O-N 3.42Å; L228-A230 VanDerWaalsContact C-N 3.34Å; L228-A230 PolarHBondContact O-N 2.86Å; A230-L234 VanDerWaalsContact O-CB 3.26Å; A230-L234 WeakPolarHBondContact O-CB 3.41Å; A230-L234 WeakPolarHBondContact O-CD1 3.37Å; A230-L234 WeakPolarHBondContact O-CG 3.5Å; A230-L234 PolarHBondContact O-N 3.03Å
231V94.3Very high91.1Very high0 Ų025.2 Ų25.20%016%0.16CC..Hα-helixtrans-62.8-45.9179.11740000111.4L162 L208 L211 L212 T227 L228 T229 L234 S235L162-V231 HydrophobicContact CD1-CG2 3.62Å; L162-V231 HydrophobicContact CD2-CG2 3.75Å; L162-V231 HydrophobicContact CG-CG2 4.35Å; L208-V231 HydrophobicContact CB-CG1 4.39Å; L208-V231 HydrophobicContact CD2-CG1 4.23Å; L211-V231 HydrophobicContact CD2-CG2 3.78Å; L212-V231 HydrophobicContact CD1-CG1 3.85Å; L212-V231 HydrophobicContact CD2-CB 4.39Å; L212-V231 HydrophobicContact CD2-CG1 3.7Å; L212-V231 HydrophobicContact CG-CG1 3.69Å; T227-V231 WeakPolarHBondContact O-CG2 3.45Å; T227-V231 PolarHBondContact O-N 2.95Å; L228-V231 PolarHBondContact O-N 3.12Å; T229-V231 PolarHBondContact O-N 2.8Å; V231-L234 PolarHBondContact O-N 3.11Å; V231-S235 PolarHBondContact O-N 3.16Å; V231-S235 PolarHBondContact O-OG 3.12Å
232F94.1Very high91.2Very high6 Ų625 Ų253%0.02616%0.162CC..Hα-helixtrans-67.4-43-179.8-171.2-95.2000112.4L228 T229 L234 S235 L236 F252 L266 C273 I277L228-F232 WeakPolarHBondContact O-CB 3.44Å; L228-F232 PolarHBondContact O-N 3.09Å; T229-F232 PolarHBondContact O-N 3.4Å; F232-L234 VanDerWaalsContact C-N 3.31Å; F232-L234 PolarHBondContact O-N 3.39Å; F232-S235 PolarHBondContact O-N 2.87Å; F232-S235 PolarHBondContact O-OG 3.5Å; F232-L236 HydrophobicContact CE1-CD2 4.26Å; F232-L236 WeakPolarHBondContact O-CB 3.48Å; F232-L236 PolarHBondContact O-N 3.08Å; F232-F252 AromaticContact CE2-CZ 3.87Å; F232-F252 HydrophobicContact CE2-CZ 3.87Å; F232-F252 HydrophobicContact CZ-CZ 4.19Å; F232-L266 HydrophobicContact CB-CD2 4.17Å; F232-L266 HydrophobicContact CD2-CD1 3.57Å; F232-L266 HydrophobicContact CD2-CD2 4.09Å; F232-L266 HydrophobicContact CD2-CG 4.49Å; F232-L266 HydrophobicContact CE2-CD1 3.54Å; F232-L266 HydrophobicContact CG-CD1 4.29Å; F232-L266 HydrophobicContact CG-CD2 4.09Å; F232-L266 HydrophobicContact CZ-CD1 4.25Å; F232-C273 HydrophobicContact CD1-CB 3.72Å; F232-C273 HydrophobicContact CE1-CB 4.11Å; F232-C273 HydrophobicContact CG-CB 4.35Å; F232-I277 HydrophobicContact CE1-CD1 4.33Å; F232-I277 HydrophobicContact CE1-CG1 3.97Å; F232-I277 HydrophobicContact CE2-CD1 4.32Å; F232-I277 HydrophobicContact CZ-CD1 3.65Å; F232-I277 HydrophobicContact CZ-CG1 3.57Å
233S92.1Very high91.3Very high27 Ų2731.7 Ų31.719%0.18919%0.191CC..Hα-helixtrans-62.4-40174.6-64.60000111.7T229 L236 R237T229-S233 WeakPolarHBondContact O-CB 3.44Å; T229-S233 PolarHBondContact O-N 3.13Å; T229-S233 PolarHBondContact O-OG 3.05Å; T229-S233 VanDerWaalsContact O-OG 3.07Å; S233-L236 PolarHBondContact O-N 3.34Å; S233-R237 VanDerWaalsContact O-CG 3.24Å; S233-R237 WeakPolarHBondContact O-CG 3.37Å; S233-R237 PolarHBondContact O-N 3.3Å; S233-R237 VanDerWaalsContact O-N 3.08Å
234L93.4Very high91.4Very high0 Ų033 Ų330%020%0.196CC..Hα-helixtrans-65.6-36.7176.6-77.7170.8000112.8L162 L165 V166 T169 M196 F204 A230 V231 F232 P238L162-L234 HydrophobicContact CD2-CD1 3.95Å; L165-L234 HydrophobicContact CB-CD1 3.68Å; L165-L234 HydrophobicContact CB-CD2 4.04Å; L165-L234 HydrophobicContact CD1-CD1 4.31Å; V166-L234 HydrophobicContact CG2-CD1 3.91Å; V166-L234 HydrophobicContact CG2-CD2 4.2Å; V166-L234 HydrophobicContact CG2-CG 3.93Å; T169-L234 WeakPolarHBondContact OG1-CD2 3.46Å; M196-L234 HydrophobicContact CE-CD2 4.32Å; F204-L234 HydrophobicContact CE1-CB 4.43Å; F204-L234 HydrophobicContact CZ-CB 4.11Å; A230-L234 VanDerWaalsContact O-CB 3.26Å; A230-L234 WeakPolarHBondContact O-CB 3.41Å; A230-L234 WeakPolarHBondContact O-CD1 3.37Å; A230-L234 WeakPolarHBondContact O-CG 3.5Å; A230-L234 PolarHBondContact O-N 3.03Å; V231-L234 PolarHBondContact O-N 3.11Å; F232-L234 VanDerWaalsContact C-N 3.31Å; F232-L234 PolarHBondContact O-N 3.39Å; L234-P238 WeakPolarHBondContact O-CD 3.43Å
235S94.3Very high91.6Very high0 Ų032.6 Ų32.60%019%0.193CC..Hα-helixtrans-73.8-31.1176.8660000112.8Y205 V231 F232 F252Y205-S235 PolarHBondContact OH-O 3.2Å; Y205-S235 VanDerWaalsContact OH-O 3.07Å; V231-S235 PolarHBondContact O-N 3.16Å; V231-S235 PolarHBondContact O-OG 3.12Å; F232-S235 PolarHBondContact O-N 2.87Å; F232-S235 PolarHBondContact O-OG 3.5Å; S235-F252 WeakPolarHBondContact OG-CE2 3.29Å
236L92.7Very high91.6Very high6 Ų630.8 Ų30.83%0.03119%0.189CC..Hα-helixtrans-77.9-36.4179.8-17459.1000113.2F232 S233 V239 T240 L276 L282F232-L236 HydrophobicContact CE1-CD2 4.26Å; F232-L236 WeakPolarHBondContact O-CB 3.48Å; F232-L236 PolarHBondContact O-N 3.08Å; S233-L236 PolarHBondContact O-N 3.34Å; L236-V239 WeakPolarHBondContact O-CB 3.43Å; L236-V239 PolarHBondContact O-N 3.3Å; L236-T240 PolarHBondContact O-N 3.3Å; L236-T240 PolarHBondContact O-OG1 3.37Å; L236-L276 HydrophobicContact CD2-CB 4.2Å; L236-L282 HydrophobicContact CD1-CD1 3.82Å; L236-L282 HydrophobicContact CD1-CD2 4.25Å
237R90.6Very high91.8Very high55 Ų5534.6 Ų34.621%0.20820%0.198CC..Hα-helixtrans-48.2-51.5-177.6-84.3170-172.4-175.6-0.9114.5V166 T169 D170 M196 S233 V239 T240 A241V166-R237 PolarHBondContact O-NH1 3.09Å; V166-R237 VanDerWaalsContact O-NH1 3.08Å; T169-R237 PolarHBondContact OG1-NH1 3.46Å; D170-R237 VanDerWaalsContact CB-NH1 3.27Å; D170-R237 IonicContact OD2-CZ 3.51Å; D170-R237 IonicContact OD2-NH2 3.23Å; D170-R237 PolarHBondContact OD2-NH2 3.15Å; M196-R237 HydrophobicContact CE-CB 4.14Å; S233-R237 VanDerWaalsContact O-CG 3.24Å; S233-R237 WeakPolarHBondContact O-CG 3.37Å; S233-R237 PolarHBondContact O-N 3.3Å; S233-R237 VanDerWaalsContact O-N 3.08Å; R237-V239 VanDerWaalsContact C-N 3.31Å; R237-V239 PolarHBondContact O-N 3.01Å; R237-T240 PolarHBondContact O-N 2.62Å; R237-A241 WeakPolarHBondContact O-CB 3.24Å; R237-A241 PolarHBondContact O-N 3.37Å
238P90.6Very high91.8Very high6 Ų635.9 Ų35.94%0.03920%0.204CC..Hα-helixtrans-64.5-35.6179.2-3.38000113.4M196 N200 L234 A242 L248M196-P238 HydrophobicContact CE-CG 4.49Å; M196-P238 HydrophobicContact CG-CB 3.87Å; M196-P238 HydrophobicContact CG-CG 3.62Å; M196-P238 HydrophobicContact SD-CG 3.95Å; N200-P238 WeakPolarHBondContact ND2-CB 3.38Å; L234-P238 WeakPolarHBondContact O-CD 3.43Å; P238-A242 WeakPolarHBondContact O-CB 3.15Å; P238-A242 PolarHBondContact O-N 3.43Å; P238-A242 VanDerWaalsContact O-N 3.12Å; P238-L248 HydrophobicContact CB-CD1 4.36Å; P238-L248 WeakPolarHBondContact O-CD1 3.32Å
239V91.6Very high91.8Very high1 Ų136.1 Ų36.11%0.00621%0.205CC..Hα-helixtrans-64.1-45.7177.6-171.30000109.9Y205 L236 R237 A242 H243 F244 L248 L249 F252Y205-V239 VanDerWaalsContact OH-CG2 3.24Å; Y205-V239 WeakPolarHBondContact OH-CG2 3.36Å; L236-V239 WeakPolarHBondContact O-CB 3.43Å; L236-V239 PolarHBondContact O-N 3.3Å; R237-V239 VanDerWaalsContact C-N 3.31Å; R237-V239 PolarHBondContact O-N 3.01Å; V239-A242 PolarHBondContact O-N 3.38Å; V239-H243 PolarHBondContact O-N 3.02Å; V239-F244 HydrophobicContact CG1-CB 4.36Å; V239-F244 HydrophobicContact CG1-CD1 3.49Å; V239-F244 VanDerWaalsContact CG1-CD1 3.49Å; V239-F244 HydrophobicContact CG1-CE1 4.02Å; V239-F244 HydrophobicContact CG1-CG 4.18Å; V239-F244 PolarHBondContact O-N 3.49Å; V239-L248 HydrophobicContact CG2-CB 4.34Å; V239-L249 HydrophobicContact CG1-CD1 4.35Å; V239-F252 HydrophobicContact CG2-CB 4.17Å; V239-F252 HydrophobicContact CG2-CD2 3.9Å; V239-F252 HydrophobicContact CG2-CG 4.34Å
240T90.4Very high91.8Very high45 Ų4538.2 Ų38.228%0.27621%0.21SC..Hα-helixtrans-65.7-43.5178-53.90000112.1L236 R237 A242 H243L236-T240 PolarHBondContact O-N 3.3Å; L236-T240 PolarHBondContact O-OG1 3.37Å; R237-T240 PolarHBondContact O-N 2.62Å; T240-A242 VanDerWaalsContact C-N 3.28Å; T240-A242 PolarHBondContact O-N 3.23Å; T240-H243 PolarHBondContact O-N 3.46Å; T240-H243 VanDerWaalsContact O-N 3.11Å
241A86.9Confident91.9Very high49 Ų4938.7 Ų38.741%0.40521%0.212SC..Hα-helixtrans-64.1-32-179.900000113E193 R237 H243E193-A241 HydrophobicContact CG-CB 4.39Å; R237-A241 WeakPolarHBondContact O-CB 3.24Å; R237-A241 PolarHBondContact O-N 3.37Å; A241-H243 VanDerWaalsContact C-N 3.31Å
242A87.7Confident92Very high41 Ų4138.8 Ų38.834%0.33921%0.212SC..THydrogen-bonded Turntrans-93.318.5176.300000113.4P238 V239 T240 F244 S245 L248P238-A242 WeakPolarHBondContact O-CB 3.15Å; P238-A242 PolarHBondContact O-N 3.43Å; P238-A242 VanDerWaalsContact O-N 3.12Å; V239-A242 PolarHBondContact O-N 3.38Å; T240-A242 VanDerWaalsContact C-N 3.28Å; T240-A242 PolarHBondContact O-N 3.23Å; A242-F244 VanDerWaalsContact C-N 3.26Å; A242-F244 PolarHBondContact O-N 3.02Å; A242-S245 PolarHBondContact O-N 3Å; A242-L248 HydrophobicContact CB-CD1 3.47Å; A242-L248 VanDerWaalsContact CB-CD1 3.47Å
243H89.5Confident92.1Very high165 Ų16538.5 Ų38.576%0.76421%0.211SC*.THydrogen-bonded Turntrans49.743-179.1-58.8-69.3000113.9V239 T240 A241 S245V239-H243 PolarHBondContact O-N 3.02Å; T240-H243 PolarHBondContact O-N 3.46Å; T240-H243 VanDerWaalsContact O-N 3.11Å; A241-H243 VanDerWaalsContact C-N 3.31Å; H243-S245 PolarHBondContact O-N 3.21Å
244F91.5Very high92.2Very high34 Ų3437.7 Ų37.715%0.14921%0.205CC..THydrogen-bonded Turntrans61.735.3176.7-52.2-91.7000114.7V239 A242 H280 L282 K285V239-F244 HydrophobicContact CG1-CB 4.36Å; V239-F244 HydrophobicContact CG1-CD1 3.49Å; V239-F244 VanDerWaalsContact CG1-CD1 3.49Å; V239-F244 HydrophobicContact CG1-CE1 4.02Å; V239-F244 HydrophobicContact CG1-CG 4.18Å; V239-F244 PolarHBondContact O-N 3.49Å; A242-F244 VanDerWaalsContact C-N 3.26Å; A242-F244 PolarHBondContact O-N 3.02Å; F244-H280 HydrophobicContact CE1-CB 4.34Å; F244-H280 HydrophobicContact CZ-CB 3.91Å; F244-H280 AromaticContact CZ-ND1 3.98Å; F244-L282 HydrophobicContact CD1-CD2 3.95Å; F244-L282 HydrophobicContact CE1-CD2 3.48Å; F244-L282 VanDerWaalsContact CE1-CD2 3.48Å; F244-K285 HydrophobicContact CB-CD 4.16Å; F244-K285 HydrophobicContact CD1-CD 3.62Å; F244-K285 HydrophobicContact CD2-CD 4.2Å; F244-K285 HydrophobicContact CE1-CD 4.1Å; F244-K285 HydrophobicContact CG-CD 3.71Å; F244-K285 VanDerWaalsContact CZ-NZ 3.26Å
245S93.2Very high92.3Very high45 Ų4540 Ų4032%0.31522%0.215SC..  trans-50.7140.3173.264.80000113.7A242 H243 N247 L248 L249A242-S245 PolarHBondContact O-N 3Å; H243-S245 PolarHBondContact O-N 3.21Å; S245-N247 VanDerWaalsContact C-N 3.25Å; S245-N247 PolarHBondContact O-N 3.42Å; S245-N247 VanDerWaalsContact O-N 3.12Å; S245-L248 PolarHBondContact O-N 3.25Å; S245-L249 PolarHBondContact O-N 3.2Å
246D91.3Very high92.3Very high65 Ų6540 Ų4035%0.34822%0.215SC..Hα-helixtrans-48.4-42.2-177.8-74.222.2000113.3L248 L249 R250 F289 R292 Q295D246-L248 PolarHBondContact O-N 2.82Å; D246-L249 PolarHBondContact O-N 3.36Å; D246-R250 VanDerWaalsContact O-CB 3.25Å; D246-R250 WeakPolarHBondContact O-CB 3.4Å; D246-R250 PolarHBondContact O-N 2.9Å; D246-F289 HydrophobicContact CB-CD2 4.41Å; D246-F289 HydrophobicContact CB-CE2 3.84Å; D246-F289 WeakPolarHBondContact O-CE2 3.5Å; D246-R292 IonicContact OD2-CZ 3.54Å; D246-R292 IonicContact OD2-NH1 3.91Å; D246-R292 PolarHBondContact OD2-NH1 3.3Å; D246-Q295 PolarHBondContact OD2-NE2 2.97Å
247N91.7Very high92.5Very high128 Ų12839.8 Ų39.868%0.68421%0.214SC*.Hα-helixtrans-62.8-40-180-72.8-26.4000113.5S245 S251S245-N247 VanDerWaalsContact C-N 3.25Å; S245-N247 PolarHBondContact O-N 3.42Å; S245-N247 VanDerWaalsContact O-N 3.12Å; N247-S251 PolarHBondContact O-N 3.19Å; N247-S251 VanDerWaalsContact O-N 3.16Å; N247-S251 PolarHBondContact O-OG 2.93Å
248L92.1Very high92.7Very high31 Ų3137.2 Ų37.216%0.16221%0.205CC..Hα-helixtrans-82-32.1179.7-69.1178.5000111.5Y205 P238 V239 A242 S245 D246 S251 F252Y205-L248 HydrophobicContact CE2-CD2 4.07Å; P238-L248 HydrophobicContact CB-CD1 4.36Å; P238-L248 WeakPolarHBondContact O-CD1 3.32Å; V239-L248 HydrophobicContact CG2-CB 4.34Å; A242-L248 HydrophobicContact CB-CD1 3.47Å; A242-L248 VanDerWaalsContact CB-CD1 3.47Å; S245-L248 PolarHBondContact O-N 3.25Å; D246-L248 PolarHBondContact O-N 2.82Å; L248-S251 PolarHBondContact O-N 3.48Å; L248-F252 WeakPolarHBondContact O-CB 3.42Å; L248-F252 PolarHBondContact O-N 3.47Å
249L93.5Very high92.9Very high6 Ų637 Ų373%0.03120%0.203CC..Hα-helixtrans-64-44.7172.8-16167.1000110.9V239 S245 D246 S251 F252 L253 K285 F286 F289V239-L249 HydrophobicContact CG1-CD1 4.35Å; S245-L249 PolarHBondContact O-N 3.2Å; D246-L249 PolarHBondContact O-N 3.36Å; L249-S251 VanDerWaalsContact C-N 3.35Å; L249-S251 PolarHBondContact O-N 3.07Å; L249-F252 WeakPolarHBondContact O-CB 3.47Å; L249-F252 PolarHBondContact O-N 3.35Å; L249-L253 WeakPolarHBondContact O-CG 3.46Å; L249-L253 PolarHBondContact O-N 3.42Å; L249-K285 HydrophobicContact CD2-CB 4.5Å; L249-F286 HydrophobicContact CD1-CD1 3.71Å; L249-F286 HydrophobicContact CD1-CE1 3.51Å; L249-F286 HydrophobicContact CG-CD1 4.2Å; L249-F286 HydrophobicContact CG-CE1 4.36Å; L249-F289 HydrophobicContact CB-CD2 4.36Å; L249-F289 HydrophobicContact CD2-CB 3.53Å; L249-F289 HydrophobicContact CD2-CD2 3.73Å; L249-F289 HydrophobicContact CD2-CG 3.7Å; L249-F289 HydrophobicContact CG-CD2 4.4Å; L249-F289 HydrophobicContact CG-CG 4.37Å
250R94.5Very high92.9Very high73 Ų7336.9 Ų36.928%0.27520%0.203SC..Hα-helixtrans-54.1-49.4170-176.3-174.7179.1-81-3.3111.8D246 F252 L253 L254 F289 D298 I299 C302D246-R250 VanDerWaalsContact O-CB 3.25Å; D246-R250 WeakPolarHBondContact O-CB 3.4Å; D246-R250 PolarHBondContact O-N 2.9Å; R250-F252 VanDerWaalsContact C-N 3.3Å; R250-F252 PolarHBondContact O-N 3.1Å; R250-L253 PolarHBondContact O-N 3.13Å; R250-L254 HydrophobicContact CG-CD1 3.96Å; R250-L254 HydrophobicContact CG-CG 4.49Å; R250-L254 VanDerWaalsContact CZ-CD1 3.49Å; R250-L254 WeakPolarHBondContact O-CB 3.44Å; R250-L254 WeakPolarHBondContact O-CG 3.33Å; R250-L254 PolarHBondContact O-N 3.05Å; R250-F289 HydrophobicContact CB-CE1 4.49Å; R250-F289 HydrophobicContact CB-CZ 3.83Å; R250-F289 HydrophobicContact CG-CZ 4.45Å; R250-D298 IonicContact CZ-OD2 2.9Å; R250-D298 IonicContact NE-OD2 3.35Å; R250-D298 PolarHBondContact NE-OD2 3.37Å; R250-D298 IonicContact NH2-OD1 3.87Å; R250-D298 PolarHBondContact NH2-OD1 2.91Å; R250-D298 IonicContact NH2-OD2 3.5Å; R250-D298 PolarHBondContact NH2-OD2 3.01Å; R250-I299 HydrophobicContact CG-CG1 4.46Å; R250-C302 PolarHBondContact NH2-SG 3.14Å; R250-C302 VanDerWaalsContact NH2-SG 3.37Å
251S94.4Very high93Very high29 Ų2934.8 Ų34.820%0.20319%0.19CC..Hα-helixtrans-62.5-38.3179.5-59.20000112N247 L248 L249 H255N247-S251 PolarHBondContact O-N 3.19Å; N247-S251 VanDerWaalsContact O-N 3.16Å; N247-S251 PolarHBondContact O-OG 2.93Å; L248-S251 PolarHBondContact O-N 3.48Å; L249-S251 VanDerWaalsContact C-N 3.35Å; L249-S251 PolarHBondContact O-N 3.07Å; S251-H255 WeakPolarHBondContact O-CB 3.42Å; S251-H255 PolarHBondContact O-CD2 3.07Å; S251-H255 VanDerWaalsContact O-CD2 3.25Å; S251-H255 PolarHBondContact O-N 3.37Å; S251-H255 VanDerWaalsContact O-N 3.08Å
252F95.6Very high93.4Very high2 Ų232.5 Ų32.51%0.00917%0.171CC..Hα-helixtrans-67.1-44.5177.1-168-85.6000111.7Y205 F232 S235 V239 L248 L249 R250 I256 M257 F286Y205-F252 HydrophobicContact CE1-CB 4.46Å; Y205-F252 HydrophobicContact CE1-CD2 4.14Å; F232-F252 AromaticContact CE2-CZ 3.87Å; F232-F252 HydrophobicContact CE2-CZ 3.87Å; F232-F252 HydrophobicContact CZ-CZ 4.19Å; S235-F252 WeakPolarHBondContact OG-CE2 3.29Å; V239-F252 HydrophobicContact CG2-CB 4.17Å; V239-F252 HydrophobicContact CG2-CD2 3.9Å; V239-F252 HydrophobicContact CG2-CG 4.34Å; L248-F252 WeakPolarHBondContact O-CB 3.42Å; L248-F252 PolarHBondContact O-N 3.47Å; L249-F252 WeakPolarHBondContact O-CB 3.47Å; L249-F252 PolarHBondContact O-N 3.35Å; R250-F252 VanDerWaalsContact C-N 3.3Å; R250-F252 PolarHBondContact O-N 3.1Å; F252-I256 HydrophobicContact CD1-CB 4.34Å; F252-I256 HydrophobicContact CD2-CB 4.35Å; F252-I256 HydrophobicContact CD2-CG1 4.04Å; F252-I256 HydrophobicContact CE1-CB 4.27Å; F252-I256 HydrophobicContact CE1-CG2 4.2Å; F252-I256 HydrophobicContact CE2-CB 4.28Å; F252-I256 HydrophobicContact CE2-CG1 4.19Å; F252-I256 HydrophobicContact CE2-CG2 4.18Å; F252-I256 HydrophobicContact CG-CB 4.37Å; F252-I256 HydrophobicContact CG-CG1 4.38Å; F252-I256 HydrophobicContact CZ-CB 4.24Å; F252-I256 HydrophobicContact CZ-CG2 3.88Å; F252-I256 WeakPolarHBondContact O-CA 3.39Å; F252-I256 VanDerWaalsContact O-CB 3.29Å; F252-I256 WeakPolarHBondContact O-CB 3.47Å; F252-I256 PolarHBondContact O-N 3.45Å; F252-M257 HydrophobicContact CD1-CG 3.77Å; F252-M257 HydrophobicContact CE1-CG 3.63Å; F252-M257 HydrophobicContact CE1-SD 3.9Å; F252-M257 PolarHBondContact O-N 3.19Å; F252-M257 VanDerWaalsContact O-N 3.11Å; F252-F286 AromaticContact CD1-CE1 3.99Å; F252-F286 HydrophobicContact CD1-CE1 3.99Å; F252-F286 AromaticContact CD1-CZ 3.76Å; F252-F286 HydrophobicContact CD1-CZ 3.76Å; F252-F286 HydrophobicContact CE1-CE1 4.39Å; F252-F286 AromaticContact CE1-CZ 3.7Å; F252-F286 HydrophobicContact CE1-CZ 3.7Å
253L95.6Very high93.7Very high0 Ų030.5 Ų30.50%015%0.154CC..Iπ-helixtrans-61.6-46.3176.2-72.8168.2000111.7L249 R250 M257 S258 F286 F289 L290 I299 L311L249-L253 WeakPolarHBondContact O-CG 3.46Å; L249-L253 PolarHBondContact O-N 3.42Å; R250-L253 PolarHBondContact O-N 3.13Å; L253-M257 HydrophobicContact CD2-CB 4.16Å; L253-M257 HydrophobicContact CD2-CG 4.18Å; L253-S258 PolarHBondContact O-N 3.11Å; L253-S258 VanDerWaalsContact O-N 3.15Å; L253-F286 HydrophobicContact CD1-CD1 4.4Å; L253-F286 HydrophobicContact CD2-CB 4.29Å; L253-F286 HydrophobicContact CD2-CD1 3.75Å; L253-F286 HydrophobicContact CD2-CD2 4.48Å; L253-F286 HydrophobicContact CD2-CE1 4.17Å; L253-F286 HydrophobicContact CD2-CG 3.94Å; L253-F286 HydrophobicContact CG-CD1 4.12Å; L253-F286 HydrophobicContact CG-CE1 4.43Å; L253-F289 HydrophobicContact CD1-CD1 3.62Å; L253-F289 HydrophobicContact CD1-CE1 3.97Å; L253-F289 HydrophobicContact CD1-CG 4.48Å; L253-L290 HydrophobicContact CD1-CD2 4.26Å; L253-L290 HydrophobicContact CD1-CG 4.31Å; L253-I299 HydrophobicContact CB-CD1 3.92Å; L253-I299 HydrophobicContact CD1-CD1 3.67Å; L253-I299 HydrophobicContact CG-CD1 4.45Å; L253-L311 HydrophobicContact CD2-CD1 4Å
254L95Very high93.9Very high11 Ų1123.7 Ų23.76%0.05813%0.125CC..Iπ-helixtrans-68.4-34.1-177.6-76.2176.8000114.8R250 S258 I299 C302 L303R250-L254 HydrophobicContact CG-CD1 3.96Å; R250-L254 HydrophobicContact CG-CG 4.49Å; R250-L254 VanDerWaalsContact CZ-CD1 3.49Å; R250-L254 WeakPolarHBondContact O-CB 3.44Å; R250-L254 WeakPolarHBondContact O-CG 3.33Å; R250-L254 PolarHBondContact O-N 3.05Å; L254-S258 VanDerWaalsContact C-OG 3.31Å; L254-S258 WeakPolarHBondContact O-CB 3.32Å; L254-S258 PolarHBondContact O-OG 3Å; L254-I299 HydrophobicContact CD2-CB 4.29Å; L254-I299 HydrophobicContact CD2-CG1 4.19Å; L254-I299 HydrophobicContact CD2-CG2 4.02Å; L254-I299 HydrophobicContact CG-CG1 4.34Å; L254-C302 HydrophobicContact CD1-CB 4.38Å; L254-C302 HydrophobicContact CD2-CB 3.61Å; L254-L303 HydrophobicContact CD2-CD1 4.37Å; L254-L303 HydrophobicContact CD2-CD2 3.86Å; L254-L303 HydrophobicContact CD2-CG 3.74Å; L254-L303 WeakPolarHBondContact O-CD2 3.35Å
255H95Very high93.9Very high47 Ų4722.7 Ų22.722%0.21812%0.121CC..Iπ-helixtrans-112.7-22.5-169.6-66.1-60000114.3Y205 Q209 S251 V259Y205-H255 VanDerWaalsContact CB-CD2 3.48Å; Y205-H255 WeakPolarHBondContact CB-CD2 3.23Å; Y205-H255 HydrophobicContact CD1-CB 4.47Å; Q209-H255 WeakPolarHBondContact CA-O 3.34Å; Q209-H255 HydrophobicContact CB-CB 4.08Å; Q209-H255 VanDerWaalsContact CB-O 3.23Å; Q209-H255 WeakPolarHBondContact CB-O 3.46Å; Q209-H255 WeakPolarHBondContact CG-O 3.35Å; Q209-H255 PolarHBondContact OE1-ND1 3.22Å; S251-H255 WeakPolarHBondContact O-CB 3.42Å; S251-H255 PolarHBondContact O-CD2 3.07Å; S251-H255 VanDerWaalsContact O-CD2 3.25Å; S251-H255 PolarHBondContact O-N 3.37Å; S251-H255 VanDerWaalsContact O-N 3.08Å; H255-V259 WeakPolarHBondContact O-CG2 3.48Å
256I95.6Very high93.9Very high1 Ų120.5 Ų20.51%0.00511%0.106CC..Iπ-helixtrans-111.5-55.1-177.4-51-62.1000110.2Y205 L208 L212 F252 S258 V259Y205-I256 HydrophobicContact CD1-CD1 4.25Å; Y205-I256 HydrophobicContact CD1-CG1 4.03Å; Y205-I256 HydrophobicContact CE1-CG1 4.27Å; L208-I256 HydrophobicContact CB-CD1 3.98Å; L208-I256 HydrophobicContact CD1-CD1 4.4Å; L212-I256 HydrophobicContact CD1-CD1 3.76Å; L212-I256 HydrophobicContact CD1-CG2 4.28Å; F252-I256 HydrophobicContact CD1-CB 4.34Å; F252-I256 HydrophobicContact CD2-CB 4.35Å; F252-I256 HydrophobicContact CD2-CG1 4.04Å; F252-I256 HydrophobicContact CE1-CB 4.27Å; F252-I256 HydrophobicContact CE1-CG2 4.2Å; F252-I256 HydrophobicContact CE2-CB 4.28Å; F252-I256 HydrophobicContact CE2-CG1 4.19Å; F252-I256 HydrophobicContact CE2-CG2 4.18Å; F252-I256 HydrophobicContact CG-CB 4.37Å; F252-I256 HydrophobicContact CG-CG1 4.38Å; F252-I256 HydrophobicContact CZ-CB 4.24Å; F252-I256 HydrophobicContact CZ-CG2 3.88Å; F252-I256 WeakPolarHBondContact O-CA 3.39Å; F252-I256 VanDerWaalsContact O-CB 3.29Å; F252-I256 WeakPolarHBondContact O-CB 3.47Å; F252-I256 PolarHBondContact O-N 3.45Å; I256-S258 VanDerWaalsContact C-N 3.27Å; I256-S258 PolarHBondContact O-N 3.4Å; I256-V259 WeakPolarHBondContact O-CB 3.33Å; I256-V259 WeakPolarHBondContact O-CG2 3.39Å; I256-V259 PolarHBondContact O-N 2.82Å
257M95.7Very high93.9Very high2 Ų219.1 Ų19.11%0.0110%0.101CC..Iπ-helixtrans-74.8-15-176.8-65.1-60.5-62.700113.9F252 L253 V259 V262 V263 F286 L311 N314 L318F252-M257 HydrophobicContact CD1-CG 3.77Å; F252-M257 HydrophobicContact CE1-CG 3.63Å; F252-M257 HydrophobicContact CE1-SD 3.9Å; F252-M257 PolarHBondContact O-N 3.19Å; F252-M257 VanDerWaalsContact O-N 3.11Å; L253-M257 HydrophobicContact CD2-CB 4.16Å; L253-M257 HydrophobicContact CD2-CG 4.18Å; M257-V259 VanDerWaalsContact C-N 3.32Å; M257-V262 HydrophobicContact SD-CG1 4.47Å; M257-V263 HydrophobicContact CE-CG2 3.72Å; M257-F286 HydrophobicContact CE-CE2 4.32Å; M257-F286 HydrophobicContact CG-CE2 4.27Å; M257-F286 HydrophobicContact CG-CZ 4.25Å; M257-F286 HydrophobicContact SD-CE2 4.29Å; M257-L311 HydrophobicContact CB-CD1 3.56Å; M257-L311 WeakPolarHBondContact O-CA 3.44Å; M257-N314 HydrophobicContact CE-CB 3.87Å; M257-N314 PolarHBondContact O-ND2 3.48Å; M257-L318 HydrophobicContact CE-CD1 3.45Å; M257-L318 VanDerWaalsContact CE-CD1 3.45Å; M257-L318 HydrophobicContact CE-CG 4.38Å
258S95.1Very high93.8Very high0 Ų018.3 Ų18.30%010%0.101CC..THydrogen-bonded Turntrans-81.7-9.217266.40000113.7L253 L254 I256 L303 C310L253-S258 PolarHBondContact O-N 3.11Å; L253-S258 VanDerWaalsContact O-N 3.15Å; L254-S258 VanDerWaalsContact C-OG 3.31Å; L254-S258 WeakPolarHBondContact O-CB 3.32Å; L254-S258 PolarHBondContact O-OG 3Å; I256-S258 VanDerWaalsContact C-N 3.27Å; I256-S258 PolarHBondContact O-N 3.4Å; S258-L303 VanDerWaalsContact CB-CD2 3.42Å; S258-C310 WeakPolarHBondContact O-CB 3.29Å
259V94.5Very high93.6Very high1 Ų119.3 Ų19.31%0.00611%0.106CC..SBendtrans-68.1133.3177.9176.40000109.2Q209 L212 L216 H255 I256 M257 A261 V262 N314Q209-V259 HydrophobicContact CG-CG2 4.38Å; L212-V259 HydrophobicContact CB-CB 4.47Å; L212-V259 HydrophobicContact CB-CG1 3.96Å; L212-V259 HydrophobicContact CB-CG2 3.86Å; L212-V259 HydrophobicContact CD1-CG2 4.22Å; L216-V259 HydrophobicContact CB-CG1 4.33Å; L216-V259 HydrophobicContact CD1-CG1 4.2Å; H255-V259 WeakPolarHBondContact O-CG2 3.48Å; I256-V259 WeakPolarHBondContact O-CB 3.33Å; I256-V259 WeakPolarHBondContact O-CG2 3.39Å; I256-V259 PolarHBondContact O-N 2.82Å; M257-V259 VanDerWaalsContact C-N 3.32Å; V259-A261 PolarHBondContact O-N 3.23Å; V259-V262 HydrophobicContact CB-CB 4.25Å; V259-V262 HydrophobicContact CG1-CB 4.47Å; V259-V262 PolarHBondContact O-N 3.12Å; V259-N314 PolarHBondContact O-ND2 3.46Å
260P92.9Very high93.4Very high0 Ų019 Ų190%011%0.105CC..THydrogen-bonded Turntrans-54.6130.4-178.3-24.433.1000112.4A217 V262 L373 S376 V380A217-P260 HydrophobicContact CB-CG 4.18Å; P260-V262 PolarHBondContact O-N 2.59Å; P260-L373 HydrophobicContact CB-CD1 4.32Å; P260-L373 HydrophobicContact CG-CD1 3.45Å; P260-L373 VanDerWaalsContact CG-CD1 3.45Å; P260-S376 WeakPolarHBondContact CB-OG 3.4Å; P260-V380 HydrophobicContact CB-CG2 4.19Å
261A92.6Very high93.1Very high0 Ų019.2 Ų19.20%012%0.115CC..THydrogen-bonded Turntrans53.720.6173.400000116.9V259 V263 S264 H265 L379 Q383V259-A261 PolarHBondContact O-N 3.23Å; A261-V263 VanDerWaalsContact C-N 3.27Å; A261-V263 PolarHBondContact O-N 3.09Å; A261-S264 WeakPolarHBondContact O-CB 3.33Å; A261-S264 PolarHBondContact O-N 3.39Å; A261-H265 PolarHBondContact O-CD2 2.88Å; A261-H265 PolarHBondContact O-N 3.09Å; A261-L379 HydrophobicContact CB-CB 3.6Å; A261-L379 HydrophobicContact CB-CD1 4.11Å; A261-Q383 VanDerWaalsContact CA-OE1 3.28Å
262V94.4Very high92.9Very high1 Ų123.2 Ų23.21%0.00613%0.131CC..Hα-helixtrans-56.7-40.8-176.477.10000112L216 M257 V259 P260 S264 H265 L266 N314L216-V262 HydrophobicContact CD1-CB 4.39Å; L216-V262 HydrophobicContact CD1-CG2 3.91Å; M257-V262 HydrophobicContact SD-CG1 4.47Å; V259-V262 HydrophobicContact CB-CB 4.25Å; V259-V262 HydrophobicContact CG1-CB 4.47Å; V259-V262 PolarHBondContact O-N 3.12Å; P260-V262 PolarHBondContact O-N 2.59Å; V262-S264 PolarHBondContact O-N 2.98Å; V262-H265 PolarHBondContact O-N 3.2Å; V262-L266 HydrophobicContact CG2-CD1 4.14Å; V262-L266 HydrophobicContact CG2-CG 4.36Å; V262-L266 WeakPolarHBondContact O-CB 3.11Å; V262-L266 WeakPolarHBondContact O-CG 3.08Å; V262-L266 PolarHBondContact O-N 3.27Å; V262-N314 PolarHBondContact N-OD1 3.19Å
263V94.5Very high92.7Very high0 Ų023.2 Ų23.20%013%0.131CC..Hα-helixtrans-67.4-38.3179.3176.10000111.1M257 A261 H265 L266 S267 M274 N314 H317 L318 L321M257-V263 HydrophobicContact CE-CG2 3.72Å; A261-V263 VanDerWaalsContact C-N 3.27Å; A261-V263 PolarHBondContact O-N 3.09Å; V263-H265 VanDerWaalsContact C-N 3.32Å; V263-H265 PolarHBondContact O-N 3.33Å; V263-L266 PolarHBondContact O-N 3.5Å; V263-S267 WeakPolarHBondContact O-CB 3.39Å; V263-S267 PolarHBondContact O-N 3.23Å; V263-S267 PolarHBondContact O-OG 2.84Å; V263-M274 HydrophobicContact CG1-CE 4.42Å; V263-N314 HydrophobicContact CB-CB 4.41Å; V263-N314 HydrophobicContact CG2-CB 3.68Å; V263-N314 PolarHBondContact N-OD1 3.46Å; V263-H317 HydrophobicContact CB-CB 4.43Å; V263-H317 HydrophobicContact CG1-CB 3.96Å; V263-L318 HydrophobicContact CG1-CD2 3.67Å; V263-L318 HydrophobicContact CG1-CG 3.92Å; V263-L318 HydrophobicContact CG2-CD1 4.25Å; V263-L318 HydrophobicContact CG2-CD2 4.1Å; V263-L318 HydrophobicContact CG2-CG 3.83Å; V263-L321 HydrophobicContact CG1-CD1 4.35Å
264S92.6Very high92.5Very high22 Ų2224 Ų2415%0.15413%0.134CC..Hα-helixtrans-65-37.1175.4-169.30000112.2A261 V262 S267 V268A261-S264 WeakPolarHBondContact O-CB 3.33Å; A261-S264 PolarHBondContact O-N 3.39Å; V262-S264 PolarHBondContact O-N 2.98Å; S264-S267 PolarHBondContact O-OG 3.18Å; S264-S267 VanDerWaalsContact O-OG 3.1Å; S264-V268 WeakPolarHBondContact O-CG2 3.28Å; S264-V268 PolarHBondContact O-N 3.39Å
265H92.1Very high92.2Very high12 Ų1225.6 Ų25.66%0.05615%0.149CC..Hα-helixtrans-73.5-38.8176.2-67.3-56.1000111.8L216 L228 A261 V262 V263 V268 L269L216-H265 HydrophobicContact CD2-CB 4.16Å; L228-H265 HydrophobicContact CD2-CB 4.33Å; A261-H265 PolarHBondContact O-CD2 2.88Å; A261-H265 PolarHBondContact O-N 3.09Å; V262-H265 PolarHBondContact O-N 3.2Å; V263-H265 VanDerWaalsContact C-N 3.32Å; V263-H265 PolarHBondContact O-N 3.33Å; H265-V268 PolarHBondContact O-N 3.36Å; H265-L269 VanDerWaalsContact O-CB 3.31Å; H265-L269 WeakPolarHBondContact O-CB 3.41Å; H265-L269 PolarHBondContact O-N 3.43Å
266L92.4Very high92Very high0 Ų026.4 Ų26.40%016%0.155CC..Hα-helixtrans-64.6-41.4177.6-71170.9000111.9L228 F232 V262 V263 V268 T270 C273 M274 I277L228-L266 HydrophobicContact CD1-CD2 4.17Å; L228-L266 HydrophobicContact CD2-CD2 4.04Å; L228-L266 HydrophobicContact CG-CD2 3.87Å; F232-L266 HydrophobicContact CB-CD2 4.17Å; F232-L266 HydrophobicContact CD2-CD1 3.57Å; F232-L266 HydrophobicContact CD2-CD2 4.09Å; F232-L266 HydrophobicContact CD2-CG 4.49Å; F232-L266 HydrophobicContact CE2-CD1 3.54Å; F232-L266 HydrophobicContact CG-CD1 4.29Å; F232-L266 HydrophobicContact CG-CD2 4.09Å; F232-L266 HydrophobicContact CZ-CD1 4.25Å; V262-L266 HydrophobicContact CG2-CD1 4.14Å; V262-L266 HydrophobicContact CG2-CG 4.36Å; V262-L266 WeakPolarHBondContact O-CB 3.11Å; V262-L266 WeakPolarHBondContact O-CG 3.08Å; V262-L266 PolarHBondContact O-N 3.27Å; V263-L266 PolarHBondContact O-N 3.5Å; L266-V268 PolarHBondContact O-N 3.46Å; L266-T270 WeakPolarHBondContact CA-OG1 3.24Å; L266-T270 VanDerWaalsContact CD2-OG1 3.28Å; L266-T270 WeakPolarHBondContact CD2-OG1 3.28Å; L266-T270 CarbonylContact O-C 3.57Å; L266-T270 WeakPolarHBondContact O-CA 3.39Å; L266-T270 PolarHBondContact O-N 3.22Å; L266-T270 PolarHBondContact O-OG1 2.87Å; L266-T270 VanDerWaalsContact O-OG1 3.12Å; L266-C273 HydrophobicContact CD2-CB 4.09Å; L266-M274 HydrophobicContact CB-SD 3.76Å; L266-I277 HydrophobicContact CD1-CD1 4.48Å
267S91.1Very high91.7Very high36 Ų3626.5 Ų26.525%0.25216%0.155SC..Hα-helixtrans-65.8-36.6179.165.90000112.9V263 S264V263-S267 WeakPolarHBondContact O-CB 3.39Å; V263-S267 PolarHBondContact O-N 3.23Å; V263-S267 PolarHBondContact O-OG 2.84Å; S264-S267 PolarHBondContact O-OG 3.18Å; S264-S267 VanDerWaalsContact O-OG 3.1Å
268V89.7Confident91.4Very high110 Ų11031.4 Ų31.467%0.66718%0.178SC*.Hα-helixtrans-82.6-45.8-179.2175.60000112.5S264 H265 L266S264-V268 WeakPolarHBondContact O-CG2 3.28Å; S264-V268 PolarHBondContact O-N 3.39Å; H265-V268 PolarHBondContact O-N 3.36Å; L266-V268 PolarHBondContact O-N 3.46Å
269L88.8Confident91.2Very high53 Ų5336.7 Ų36.728%0.27721%0.211SC..Hα-helixtrans-92.8-33-170.9-62174.7000113.3P221 K225 L228 H265P221-L269 HydrophobicContact CB-CD1 4.29Å; P221-L269 HydrophobicContact CG-CD1 3.83Å; K225-L269 WeakPolarHBondContact CD-O 3.32Å; K225-L269 WeakPolarHBondContact CG-O 2.91Å; L228-L269 HydrophobicContact CD2-CB 4.24Å; L228-L269 HydrophobicContact CD2-CD1 4.07Å; H265-L269 VanDerWaalsContact O-CB 3.31Å; H265-L269 WeakPolarHBondContact O-CB 3.41Å; H265-L269 PolarHBondContact O-N 3.43Å
270T89.6Confident91.1Very high0 Ų039.1 Ų39.10%022%0.222CC..  trans-136.369.8-169.957.10000112.2K225 L228 T229 L266 E272 C273K225-T270 HydrophobicContact CG-CG2 3.92Å; K225-T270 WeakPolarHBondContact O-CG2 3.43Å; L228-T270 HydrophobicContact CB-CG2 4.23Å; L228-T270 HydrophobicContact CD2-CG2 4.19Å; L228-T270 HydrophobicContact CG-CG2 4.28Å; T229-T270 WeakPolarHBondContact OG1-CG2 3.41Å; L266-T270 WeakPolarHBondContact CA-OG1 3.24Å; L266-T270 VanDerWaalsContact CD2-OG1 3.28Å; L266-T270 WeakPolarHBondContact CD2-OG1 3.28Å; L266-T270 CarbonylContact O-C 3.57Å; L266-T270 WeakPolarHBondContact O-CA 3.39Å; L266-T270 PolarHBondContact O-N 3.22Å; L266-T270 PolarHBondContact O-OG1 2.87Å; L266-T270 VanDerWaalsContact O-OG1 3.12Å; T270-E272 PolarHBondContact O-N 3.15Å; T270-E272 VanDerWaalsContact O-N 3.11Å; T270-C273 WeakPolarHBondContact O-CB 3.27Å; T270-C273 PolarHBondContact O-N 3.13Å
271P88.8Confident91Very high76 Ų7641.3 Ų41.349%0.49423%0.234SC..Hα-helixtrans-57.6-30.3-179.4-2232000113.3C273 M274 A275P271-C273 VanDerWaalsContact C-N 3.27Å; P271-C273 PolarHBondContact O-N 2.73Å; P271-M274 WeakPolarHBondContact O-CB 3.48Å; P271-M274 PolarHBondContact O-N 2.85Å; P271-M274 VanDerWaalsContact O-N 3.07Å; P271-A275 PolarHBondContact O-N 3.3Å
272E90.4Very high91.1Very high114 Ų11441.5 Ų41.553%0.53324%0.235SC..Hα-helixtrans-58.4-37.3175-62.5160.2-134.200112.2K225 T270 A275 L276K225-E272 IonicContact NZ-OE1 3.63Å; K225-E272 PolarHBondContact NZ-OE1 3.28Å; T270-E272 PolarHBondContact O-N 3.15Å; T270-E272 VanDerWaalsContact O-N 3.11Å; E272-A275 PolarHBondContact O-N 3.13Å; E272-L276 PolarHBondContact O-N 3.03Å
273C90.5Very high91.1Very high1 Ų141.6 Ų41.61%0.00724%0.235CC..Hα-helixtrans-69.6-35175.6-65.50000111.6F232 L266 T270 P271 A275 L276 I277F232-C273 HydrophobicContact CD1-CB 3.72Å; F232-C273 HydrophobicContact CE1-CB 4.11Å; F232-C273 HydrophobicContact CG-CB 4.35Å; L266-C273 HydrophobicContact CD2-CB 4.09Å; T270-C273 WeakPolarHBondContact O-CB 3.27Å; T270-C273 PolarHBondContact O-N 3.13Å; P271-C273 VanDerWaalsContact C-N 3.27Å; P271-C273 PolarHBondContact O-N 2.73Å; C273-A275 VanDerWaalsContact C-N 3.33Å; C273-L276 WeakPolarHBondContact O-CB 3.4Å; C273-L276 PolarHBondContact O-N 3.08Å; C273-I277 WeakPolarHBondContact O-CG1 3.18Å; C273-I277 PolarHBondContact O-N 2.6Å; C273-I277 VanDerWaalsContact O-N 3.12Å
274M91.2Very high91.2Very high17 Ų1744.7 Ų44.78%0.08425%0.247CC..Hα-helixtrans-64.8-38.2174.4-63.2-55.7-54.600111.8V263 L266 P271 L276 I277 Q278 L318 L321V263-M274 HydrophobicContact CG1-CE 4.42Å; L266-M274 HydrophobicContact CB-SD 3.76Å; P271-M274 WeakPolarHBondContact O-CB 3.48Å; P271-M274 PolarHBondContact O-N 2.85Å; P271-M274 VanDerWaalsContact O-N 3.07Å; M274-L276 VanDerWaalsContact C-N 3.28Å; M274-L276 PolarHBondContact O-N 2.9Å; M274-I277 HydrophobicContact CE-CD1 4.05Å; M274-I277 WeakPolarHBondContact O-CB 3.39Å; M274-I277 PolarHBondContact O-N 3.46Å; M274-I277 VanDerWaalsContact O-N 3.14Å; M274-I277 HydrophobicContact SD-CD1 3.81Å; M274-Q278 PolarHBondContact O-N 2.94Å; M274-Q278 VanDerWaalsContact O-N 3.08Å; M274-L318 HydrophobicContact CE-CD2 3.77Å; M274-L321 HydrophobicContact CE-CD1 3.61Å
275A89.4Confident91.3Very high45 Ų4546.5 Ų46.537%0.37225%0.252SS..Hα-helixtrans-61.3-35.8173.400000112.2P271 E272 C273 Q278 T279P271-A275 PolarHBondContact O-N 3.3Å; E272-A275 PolarHBondContact O-N 3.13Å; C273-A275 VanDerWaalsContact C-N 3.33Å; A275-Q278 PolarHBondContact O-N 3.37Å; A275-T279 WeakPolarHBondContact O-CB 3.49Å; A275-T279 PolarHBondContact O-N 3.49Å; A275-T279 PolarHBondContact O-OG1 2.82Å
276L89.4Confident91.5Very high63 Ų6346 Ų4633%0.3325%0.25SC..Hα-helixtrans-66-40.1173.4-66.7173.3000112.3L236 E272 C273 M274 Q278 T279 H280L236-L276 HydrophobicContact CD2-CB 4.2Å; E272-L276 PolarHBondContact O-N 3.03Å; C273-L276 WeakPolarHBondContact O-CB 3.4Å; C273-L276 PolarHBondContact O-N 3.08Å; M274-L276 VanDerWaalsContact C-N 3.28Å; M274-L276 PolarHBondContact O-N 2.9Å; L276-Q278 VanDerWaalsContact C-N 3.29Å; L276-Q278 PolarHBondContact O-N 3.02Å; L276-T279 PolarHBondContact O-N 3.02Å; L276-H280 WeakPolarHBondContact O-CB 3.27Å; L276-H280 PolarHBondContact O-CD2 3.35Å; L276-H280 VanDerWaalsContact O-CD2 3.29Å; L276-H280 PolarHBondContact O-N 2.8Å
277I89.9Confident91.6Very high3 Ų346.1 Ų46.12%0.01525%0.25CS..Hα-helixtrans-58.8-44.5176-64.7176.9000110.2F232 L266 C273 M274 D281 L282 L318F232-I277 HydrophobicContact CE1-CD1 4.33Å; F232-I277 HydrophobicContact CE1-CG1 3.97Å; F232-I277 HydrophobicContact CE2-CD1 4.32Å; F232-I277 HydrophobicContact CZ-CD1 3.65Å; F232-I277 HydrophobicContact CZ-CG1 3.57Å; L266-I277 HydrophobicContact CD1-CD1 4.48Å; C273-I277 WeakPolarHBondContact O-CG1 3.18Å; C273-I277 PolarHBondContact O-N 2.6Å; C273-I277 VanDerWaalsContact O-N 3.12Å; M274-I277 HydrophobicContact CE-CD1 4.05Å; M274-I277 WeakPolarHBondContact O-CB 3.39Å; M274-I277 PolarHBondContact O-N 3.46Å; M274-I277 VanDerWaalsContact O-N 3.14Å; M274-I277 HydrophobicContact SD-CD1 3.81Å; I277-D281 PolarHBondContact O-N 3.41Å; I277-L282 HydrophobicContact CB-CD1 4.27Å; I277-L282 HydrophobicContact CG1-CD1 4.04Å; I277-L282 HydrophobicContact CG2-CB 3.94Å; I277-L282 HydrophobicContact CG2-CD1 4.28Å; I277-L282 PolarHBondContact O-N 3.21Å; I277-L282 VanDerWaalsContact O-N 3.11Å; I277-L318 HydrophobicContact CD1-CD2 4.23Å; I277-L318 HydrophobicContact CG2-CD2 4.05Å
278Q88.9Confident91.8Very high106 Ų10647.9 Ų47.950%0.49526%0.256SS..Hα-helixtrans-68-47.5177.8-71179.7-23.500112.3M274 A275 L276 H280 D281 N322M274-Q278 PolarHBondContact O-N 2.94Å; M274-Q278 VanDerWaalsContact O-N 3.08Å; A275-Q278 PolarHBondContact O-N 3.37Å; L276-Q278 VanDerWaalsContact C-N 3.29Å; L276-Q278 PolarHBondContact O-N 3.02Å; Q278-H280 PolarHBondContact O-N 3.23Å; Q278-D281 PolarHBondContact O-N 2.8Å; Q278-N322 VanDerWaalsContact CG-OD1 3.31Å; Q278-N322 WeakPolarHBondContact CG-OD1 3.39Å; Q278-N322 PolarHBondContact NE2-OD1 3.16Å
279T91.4Very high92.1Very high111 Ų11143.1 Ų43.168%0.68123%0.227SC*.Hα-helixtrans-59.2-34.6-179.6-570000112A275 L276A275-T279 WeakPolarHBondContact O-CB 3.49Å; A275-T279 PolarHBondContact O-N 3.49Å; A275-T279 PolarHBondContact O-OG1 2.82Å; L276-T279 PolarHBondContact O-N 3.02Å
280H91.8Very high92.4Very high51 Ų5140.7 Ų40.724%0.23621%0.214CC..THydrogen-bonded Turntrans-92.64.2179.1-71.4-55000114.4F244 L276 Q278 L282 K285F244-H280 HydrophobicContact CE1-CB 4.34Å; F244-H280 HydrophobicContact CZ-CB 3.91Å; F244-H280 AromaticContact CZ-ND1 3.98Å; L276-H280 WeakPolarHBondContact O-CB 3.27Å; L276-H280 PolarHBondContact O-CD2 3.35Å; L276-H280 VanDerWaalsContact O-CD2 3.29Å; L276-H280 PolarHBondContact O-N 2.8Å; Q278-H280 PolarHBondContact O-N 3.23Å; H280-L282 HydrophobicContact CB-CG 4.14Å; H280-L282 PolarHBondContact O-N 3.41Å; H280-K285 PolarHBondContact O-NZ 3.28Å
281D92.6Very high92.6Very high47 Ų4741.8 Ų41.825%0.25122%0.222SC..THydrogen-bonded Turntrans47.445-177.7-161.215.3000112.8I277 Q278 L283 R284 K285I277-D281 PolarHBondContact O-N 3.41Å; Q278-D281 PolarHBondContact O-N 2.8Å; D281-L283 VanDerWaalsContact C-N 3.32Å; D281-L283 PolarHBondContact O-N 2.94Å; D281-R284 WeakPolarHBondContact OD1-CB 3.36Å; D281-R284 WeakPolarHBondContact OD2-CB 3.47Å; D281-R284 WeakPolarHBondContact OD2-CD 3.36Å; D281-R284 IonicContact OD2-CZ 3.13Å; D281-R284 IonicContact OD2-NE 3.93Å; D281-R284 IonicContact OD2-NH1 3.87Å; D281-R284 PolarHBondContact OD2-NH1 2.88Å; D281-K285 WeakPolarHBondContact O-CG 3.41Å; D281-K285 PolarHBondContact O-N 2.93Å
282L93.4Very high92.8Very high3 Ų344.3 Ų44.32%0.01622%0.221CC..Hα-helixtrans-65.3-35.8-173.6-79.6-177.7000112.5L236 F244 I277 H280 K285 F286L236-L282 HydrophobicContact CD1-CD1 3.82Å; L236-L282 HydrophobicContact CD1-CD2 4.25Å; F244-L282 HydrophobicContact CD1-CD2 3.95Å; F244-L282 HydrophobicContact CE1-CD2 3.48Å; F244-L282 VanDerWaalsContact CE1-CD2 3.48Å; I277-L282 HydrophobicContact CB-CD1 4.27Å; I277-L282 HydrophobicContact CG1-CD1 4.04Å; I277-L282 HydrophobicContact CG2-CB 3.94Å; I277-L282 HydrophobicContact CG2-CD1 4.28Å; I277-L282 PolarHBondContact O-N 3.21Å; I277-L282 VanDerWaalsContact O-N 3.11Å; H280-L282 HydrophobicContact CB-CG 4.14Å; H280-L282 PolarHBondContact O-N 3.41Å; L282-K285 PolarHBondContact O-N 2.91Å; L282-F286 HydrophobicContact CB-CD2 4.44Å; L282-F286 HydrophobicContact CB-CE2 3.83Å; L282-F286 HydrophobicContact CB-CZ 3.93Å; L282-F286 HydrophobicContact CD1-CZ 4.22Å; L282-F286 HydrophobicContact CD2-CE1 4.34Å; L282-F286 HydrophobicContact CD2-CZ 4.11Å; L282-F286 HydrophobicContact CG-CZ 4.33Å; L282-F286 WeakPolarHBondContact O-CD2 3.34Å; L282-F286 WeakPolarHBondContact O-CG 3.4Å; L282-F286 PolarHBondContact O-N 3Å
283L94.8Very high92.8Very high3 Ų345.3 Ų45.32%0.01623%0.226CC..Hα-helixtrans-59.7-51.4179176.562000111D281 K285 F286 I287 L318 N322 V325D281-L283 VanDerWaalsContact C-N 3.32Å; D281-L283 PolarHBondContact O-N 2.94Å; L283-K285 VanDerWaalsContact C-N 3.27Å; L283-K285 PolarHBondContact O-N 3.19Å; L283-F286 PolarHBondContact O-N 2.78Å; L283-F286 VanDerWaalsContact O-N 3.15Å; L283-I287 HydrophobicContact CD1-CD1 3.84Å; L283-I287 HydrophobicContact CD1-CG1 4.16Å; L283-I287 HydrophobicContact CG-CD1 3.82Å; L283-I287 WeakPolarHBondContact O-CG1 3.49Å; L283-I287 PolarHBondContact O-N 2.8Å; L283-L318 HydrophobicContact CD1-CB 4Å; L283-N322 HydrophobicContact CD2-CB 3.81Å; L283-V325 HydrophobicContact CB-CG1 4.25Å; L283-V325 HydrophobicContact CD2-CB 4.05Å; L283-V325 HydrophobicContact CD2-CG1 3.89Å; L283-V325 HydrophobicContact CG-CG1 3.93Å
284R95.8Very high92.8Very high65 Ų6553.5 Ų53.525%0.24526%0.264CS..Hα-helixtrans-56.7-44.4176.9178.5177.7-89.7136.7-9.9111D281 F286 I287 L288 V325 E328 E329D281-R284 WeakPolarHBondContact OD1-CB 3.36Å; D281-R284 WeakPolarHBondContact OD2-CB 3.47Å; D281-R284 WeakPolarHBondContact OD2-CD 3.36Å; D281-R284 IonicContact OD2-CZ 3.13Å; D281-R284 IonicContact OD2-NE 3.93Å; D281-R284 IonicContact OD2-NH1 3.87Å; D281-R284 PolarHBondContact OD2-NH1 2.88Å; R284-F286 VanDerWaalsContact C-N 3.35Å; R284-F286 PolarHBondContact O-N 3.16Å; R284-I287 PolarHBondContact O-N 2.91Å; R284-L288 HydrophobicContact CG-CD1 3.76Å; R284-L288 HydrophobicContact CG-CG 4.16Å; R284-L288 WeakPolarHBondContact O-CB 3.28Å; R284-L288 WeakPolarHBondContact O-CG 3.41Å; R284-L288 PolarHBondContact O-N 2.82Å; R284-V325 HydrophobicContact CB-CG1 3.84Å; R284-E328 IonicContact CZ-OE2 2.7Å; R284-E328 IonicContact NH1-OE2 3.25Å; R284-E328 IonicContact NH2-OE2 3.38Å; R284-E328 PolarHBondContact NH2-OE2 2.95Å; R284-E329 HydrophobicContact CG-CG 4.17Å; R284-E329 IonicContact CZ-OE1 3.43Å; R284-E329 IonicContact NE-OE1 3.31Å; R284-E329 PolarHBondContact NE-OE1 3.39Å; R284-E329 IonicContact NH2-OE1 3.44Å
285K95.3Very high92.8Very high61 Ų6154.6 Ų54.627%0.26527%0.269SS..Hα-helixtrans-62.6-40.2179-71171-179.4158.60112.6F244 L249 H280 D281 L282 L283 F289F244-K285 HydrophobicContact CB-CD 4.16Å; F244-K285 HydrophobicContact CD1-CD 3.62Å; F244-K285 HydrophobicContact CD2-CD 4.2Å; F244-K285 HydrophobicContact CE1-CD 4.1Å; F244-K285 HydrophobicContact CG-CD 3.71Å; F244-K285 VanDerWaalsContact CZ-NZ 3.26Å; L249-K285 HydrophobicContact CD2-CB 4.5Å; H280-K285 PolarHBondContact O-NZ 3.28Å; D281-K285 WeakPolarHBondContact O-CG 3.41Å; D281-K285 PolarHBondContact O-N 2.93Å; L282-K285 PolarHBondContact O-N 2.91Å; L283-K285 VanDerWaalsContact C-N 3.27Å; L283-K285 PolarHBondContact O-N 3.19Å; K285-F289 VanDerWaalsContact O-CB 3.24Å; K285-F289 WeakPolarHBondContact O-CB 3.17Å; K285-F289 PolarHBondContact O-N 3.15Å
286F96.1Very high92.9Very high1 Ų152.6 Ų52.60%0.00425%0.252CS..Hα-helixtrans-64.8-45.1175.9-61-32.2000111.4L249 F252 L253 M257 L282 L283 R284 F289 L290 L315 L318L249-F286 HydrophobicContact CD1-CD1 3.71Å; L249-F286 HydrophobicContact CD1-CE1 3.51Å; L249-F286 HydrophobicContact CG-CD1 4.2Å; L249-F286 HydrophobicContact CG-CE1 4.36Å; F252-F286 AromaticContact CD1-CE1 3.99Å; F252-F286 HydrophobicContact CD1-CE1 3.99Å; F252-F286 AromaticContact CD1-CZ 3.76Å; F252-F286 HydrophobicContact CD1-CZ 3.76Å; F252-F286 HydrophobicContact CE1-CE1 4.39Å; F252-F286 AromaticContact CE1-CZ 3.7Å; F252-F286 HydrophobicContact CE1-CZ 3.7Å; L253-F286 HydrophobicContact CD1-CD1 4.4Å; L253-F286 HydrophobicContact CD2-CB 4.29Å; L253-F286 HydrophobicContact CD2-CD1 3.75Å; L253-F286 HydrophobicContact CD2-CD2 4.48Å; L253-F286 HydrophobicContact CD2-CE1 4.17Å; L253-F286 HydrophobicContact CD2-CG 3.94Å; L253-F286 HydrophobicContact CG-CD1 4.12Å; L253-F286 HydrophobicContact CG-CE1 4.43Å; M257-F286 HydrophobicContact CE-CE2 4.32Å; M257-F286 HydrophobicContact CG-CE2 4.27Å; M257-F286 HydrophobicContact CG-CZ 4.25Å; M257-F286 HydrophobicContact SD-CE2 4.29Å; L282-F286 HydrophobicContact CB-CD2 4.44Å; L282-F286 HydrophobicContact CB-CE2 3.83Å; L282-F286 HydrophobicContact CB-CZ 3.93Å; L282-F286 HydrophobicContact CD1-CZ 4.22Å; L282-F286 HydrophobicContact CD2-CE1 4.34Å; L282-F286 HydrophobicContact CD2-CZ 4.11Å; L282-F286 HydrophobicContact CG-CZ 4.33Å; L282-F286 WeakPolarHBondContact O-CD2 3.34Å; L282-F286 WeakPolarHBondContact O-CG 3.4Å; L282-F286 PolarHBondContact O-N 3Å; L283-F286 PolarHBondContact O-N 2.78Å; L283-F286 VanDerWaalsContact O-N 3.15Å; R284-F286 VanDerWaalsContact C-N 3.35Å; R284-F286 PolarHBondContact O-N 3.16Å; F286-F289 PolarHBondContact O-N 3.39Å; F286-L290 WeakPolarHBondContact O-CB 3.33Å; F286-L290 VanDerWaalsContact O-CG 3.28Å; F286-L290 WeakPolarHBondContact O-CG 3.39Å; F286-L290 PolarHBondContact O-N 3.33Å; F286-L315 HydrophobicContact CB-CD2 4.13Å; F286-L315 HydrophobicContact CD2-CD2 4.27Å; F286-L318 HydrophobicContact CD2-CD1 4.33Å; F286-L318 HydrophobicContact CE2-CD1 4.21Å
287I95.6Very high93.1Very high2 Ų254.1 Ų54.11%0.0126%0.26CS..Hα-helixtrans-60.8-51.1177.5-65.8167.7000110.5L283 R284 F289 L290 S291 E329 H332 F333 D336L283-I287 HydrophobicContact CD1-CD1 3.84Å; L283-I287 HydrophobicContact CD1-CG1 4.16Å; L283-I287 HydrophobicContact CG-CD1 3.82Å; L283-I287 WeakPolarHBondContact O-CG1 3.49Å; L283-I287 PolarHBondContact O-N 2.8Å; R284-I287 PolarHBondContact O-N 2.91Å; I287-F289 VanDerWaalsContact C-N 3.3Å; I287-F289 PolarHBondContact O-N 3.3Å; I287-L290 PolarHBondContact O-N 3.48Å; I287-S291 WeakPolarHBondContact O-CB 3.46Å; I287-S291 PolarHBondContact O-N 3Å; I287-E329 HydrophobicContact CD1-CB 4.1Å; I287-E329 HydrophobicContact CG2-CB 4.05Å; I287-H332 HydrophobicContact CG2-CB 3.33Å; I287-F333 HydrophobicContact CD1-CB 4.15Å; I287-F333 HydrophobicContact CD1-CD2 3.78Å; I287-F333 HydrophobicContact CD1-CG 4.37Å; I287-F333 HydrophobicContact CG1-CD2 3.94Å; I287-F333 HydrophobicContact CG2-CB 4.49Å; I287-D336 WeakPolarHBondContact CA-OD2 3.29Å; I287-D336 VanDerWaalsContact O-OD2 3.11Å
288L95.1Very high93.3Very high74 Ų7457 Ų5739%0.38728%0.276SS..Hα-helixtrans-63.9-34.4-179.5-67.2176.9000113R284 S291R284-L288 HydrophobicContact CG-CD1 3.76Å; R284-L288 HydrophobicContact CG-CG 4.16Å; R284-L288 WeakPolarHBondContact O-CB 3.28Å; R284-L288 WeakPolarHBondContact O-CG 3.41Å; R284-L288 PolarHBondContact O-N 2.82Å; L288-S291 PolarHBondContact O-OG 3.26Å
289F95.3Very high93.5Very high10 Ų1052 Ų524%0.04425%0.252CS..Hα-helixtrans-66.1-48.5173.3-180-87.9000111.4D246 L249 R250 L253 K285 F286 I287 S291 Q295 I299D246-F289 HydrophobicContact CB-CD2 4.41Å; D246-F289 HydrophobicContact CB-CE2 3.84Å; D246-F289 WeakPolarHBondContact O-CE2 3.5Å; L249-F289 HydrophobicContact CB-CD2 4.36Å; L249-F289 HydrophobicContact CD2-CB 3.53Å; L249-F289 HydrophobicContact CD2-CD2 3.73Å; L249-F289 HydrophobicContact CD2-CG 3.7Å; L249-F289 HydrophobicContact CG-CD2 4.4Å; L249-F289 HydrophobicContact CG-CG 4.37Å; R250-F289 HydrophobicContact CB-CE1 4.49Å; R250-F289 HydrophobicContact CB-CZ 3.83Å; R250-F289 HydrophobicContact CG-CZ 4.45Å; L253-F289 HydrophobicContact CD1-CD1 3.62Å; L253-F289 HydrophobicContact CD1-CE1 3.97Å; L253-F289 HydrophobicContact CD1-CG 4.48Å; K285-F289 VanDerWaalsContact O-CB 3.24Å; K285-F289 WeakPolarHBondContact O-CB 3.17Å; K285-F289 PolarHBondContact O-N 3.15Å; F286-F289 PolarHBondContact O-N 3.39Å; I287-F289 VanDerWaalsContact C-N 3.3Å; I287-F289 PolarHBondContact O-N 3.3Å; F289-S291 VanDerWaalsContact C-N 3.32Å; F289-S291 PolarHBondContact O-N 3.08Å; F289-Q295 HydrophobicContact CD1-CB 4.5Å; F289-Q295 HydrophobicContact CE1-CB 3.94Å; F289-Q295 HydrophobicContact CZ-CB 4.07Å; F289-Q295 HydrophobicContact CZ-CG 4.27Å; F289-Q295 PolarHBondContact O-OE1 3.01Å; F289-I299 HydrophobicContact CD1-CD1 4.3Å; F289-I299 HydrophobicContact CE1-CD1 3.59Å
290L95Very high93.6Very high1 Ų146.8 Ų46.81%0.00522%0.221CC..Hα-helixtrans-70.7-26.4-178.4-69.1169.7000113L253 F286 I287 R292 C296 I299 L315 D336 M340L253-L290 HydrophobicContact CD1-CD2 4.26Å; L253-L290 HydrophobicContact CD1-CG 4.31Å; F286-L290 WeakPolarHBondContact O-CB 3.33Å; F286-L290 VanDerWaalsContact O-CG 3.28Å; F286-L290 WeakPolarHBondContact O-CG 3.39Å; F286-L290 PolarHBondContact O-N 3.33Å; I287-L290 PolarHBondContact O-N 3.48Å; L290-R292 CarbonylContact O-C 3.49Å; L290-R292 PolarHBondContact O-N 3.17Å; L290-C296 HydrophobicContact CD2-CB 4.35Å; L290-C296 WeakPolarHBondContact O-CB 3.49Å; L290-I299 HydrophobicContact CD2-CD1 3.79Å; L290-L315 HydrophobicContact CD1-CD1 3.61Å; L290-D336 HydrophobicContact CB-CB 4.24Å; L290-D336 WeakPolarHBondContact CB-OD2 3.18Å; L290-M340 HydrophobicContact CD1-CE 3.76Å; L290-M340 HydrophobicContact CD2-CE 3.9Å; L290-M340 HydrophobicContact CG-CE 4.44Å
291S93.8Very high93.7Very high24 Ų2448.4 Ų48.417%0.16823%0.234CC..THydrogen-bonded Turntrans-54.1-23177.676.20000114.6I287 L288 F289 E293 K335 D336I287-S291 WeakPolarHBondContact O-CB 3.46Å; I287-S291 PolarHBondContact O-N 3Å; L288-S291 PolarHBondContact O-OG 3.26Å; F289-S291 VanDerWaalsContact C-N 3.32Å; F289-S291 PolarHBondContact O-N 3.08Å; S291-E293 PolarHBondContact O-N 3.49Å; S291-K335 PolarHBondContact O-NZ 3.07Å; S291-K335 VanDerWaalsContact O-NZ 3.12Å; S291-D336 WeakPolarHBondContact CA-OD1 3.49Å; S291-D336 PolarHBondContact N-OD1 2.97Å; S291-D336 VanDerWaalsContact N-OD1 3.08Å
292R94.1Very high93.7Very high128 Ų12849.3 Ų49.348%0.48324%0.243SC..SBendtrans-80.6110.7172.8-59.1-178.2-170.6161.64.8109.3D246 L290 E294 Q295 C296D246-R292 IonicContact OD2-CZ 3.54Å; D246-R292 IonicContact OD2-NH1 3.91Å; D246-R292 PolarHBondContact OD2-NH1 3.3Å; L290-R292 CarbonylContact O-C 3.49Å; L290-R292 PolarHBondContact O-N 3.17Å; R292-E294 VanDerWaalsContact C-N 3.31Å; R292-E294 PolarHBondContact O-N 3.43Å; R292-Q295 HydrophobicContact CB-CB 4.24Å; R292-Q295 HydrophobicContact CB-CG 4.07Å; R292-Q295 VanDerWaalsContact NH1-NE2 3.11Å; R292-Q295 WeakPolarHBondContact O-CB 3.35Å; R292-Q295 PolarHBondContact O-N 3.46Å; R292-C296 PolarHBondContact O-N 3.5Å; R292-C296 VanDerWaalsContact O-N 3.1Å
293E88.4Confident93.5Very high135 Ų13549.7 Ų49.763%0.63125%0.245SC*.Hα-helixtrans-52.8-43.4-172.6-169.8178171.500113.5S291 Q295 C296 L297S291-E293 PolarHBondContact O-N 3.49Å; E293-Q295 VanDerWaalsContact C-N 3.3Å; E293-Q295 PolarHBondContact O-N 3.06Å; E293-C296 PolarHBondContact O-N 3.29Å; E293-L297 WeakPolarHBondContact O-CB 3.16Å; E293-L297 PolarHBondContact O-N 3.06Å
294E90.8Very high93.2Very high173 Ų17353.3 Ų53.381%0.80826%0.262SS*.Hα-helixtrans-60.5-38.1177.2-64.6-176.7175.100112.7R292 D298R292-E294 VanDerWaalsContact C-N 3.31Å; R292-E294 PolarHBondContact O-N 3.43Å; E294-D298 WeakPolarHBondContact O-CB 3.33Å; E294-D298 PolarHBondContact O-N 3.37Å; E294-D298 VanDerWaalsContact O-N 3.1Å
295Q91.8Very high92.7Very high41 Ų4150.2 Ų50.219%0.19225%0.25CS..Hα-helixtrans-75.4-41.1-178.5-63.2-172.5-18.400111.5D246 F289 R292 E293 I299D246-Q295 PolarHBondContact OD2-NE2 2.97Å; F289-Q295 HydrophobicContact CD1-CB 4.5Å; F289-Q295 HydrophobicContact CE1-CB 3.94Å; F289-Q295 HydrophobicContact CZ-CB 4.07Å; F289-Q295 HydrophobicContact CZ-CG 4.27Å; F289-Q295 PolarHBondContact O-OE1 3.01Å; R292-Q295 HydrophobicContact CB-CB 4.24Å; R292-Q295 HydrophobicContact CB-CG 4.07Å; R292-Q295 VanDerWaalsContact NH1-NE2 3.11Å; R292-Q295 WeakPolarHBondContact O-CB 3.35Å; R292-Q295 PolarHBondContact O-N 3.46Å; E293-Q295 VanDerWaalsContact C-N 3.3Å; E293-Q295 PolarHBondContact O-N 3.06Å; Q295-I299 WeakPolarHBondContact O-CG1 3.42Å; Q295-I299 PolarHBondContact O-N 3.24Å; Q295-I299 VanDerWaalsContact O-N 3.14Å
296C92.7Very high92.3Very high2 Ų247.3 Ų47.31%0.01424%0.238CC..Hα-helixtrans-62.8-46.6175.3-173.90000111.4L290 R292 E293 I299 C300L290-C296 HydrophobicContact CD2-CB 4.35Å; L290-C296 WeakPolarHBondContact O-CB 3.49Å; R292-C296 PolarHBondContact O-N 3.5Å; R292-C296 VanDerWaalsContact O-N 3.1Å; E293-C296 PolarHBondContact O-N 3.29Å; C296-I299 PolarHBondContact O-N 2.76Å; C296-C300 PolarHBondContact O-N 2.8Å; C296-C300 PolarHBondContact O-SG 2.69Å
297L92.7Very high92.1Very high95 Ų9549.4 Ų49.450%0.49725%0.247SC..Hα-helixtrans-62.8-45179.4-177.464.3000111.8E293 I299 C300 V301 Y343E293-L297 WeakPolarHBondContact O-CB 3.16Å; E293-L297 PolarHBondContact O-N 3.06Å; L297-I299 VanDerWaalsContact C-N 3.31Å; L297-I299 PolarHBondContact O-N 3.46Å; L297-C300 PolarHBondContact O-N 3.28Å; L297-V301 HydrophobicContact CD1-CG2 4.24Å; L297-V301 HydrophobicContact CG-CG2 4.37Å; L297-V301 WeakPolarHBondContact O-CB 3.45Å; L297-V301 VanDerWaalsContact O-CG2 3.27Å; L297-V301 WeakPolarHBondContact O-CG2 3.47Å; L297-V301 PolarHBondContact O-N 3.23Å; L297-Y343 HydrophobicContact CD1-CD2 4.21Å
298D93.6Very high92Very high65 Ų6549.3 Ų49.335%0.34825%0.247SC..Hα-helixtrans-57.9-42.4176.6174.770000112R250 E294 C302R250-D298 IonicContact CZ-OD2 2.9Å; R250-D298 IonicContact NE-OD2 3.35Å; R250-D298 PolarHBondContact NE-OD2 3.37Å; R250-D298 IonicContact NH2-OD1 3.87Å; R250-D298 PolarHBondContact NH2-OD1 2.91Å; R250-D298 IonicContact NH2-OD2 3.5Å; R250-D298 PolarHBondContact NH2-OD2 3.01Å; E294-D298 WeakPolarHBondContact O-CB 3.33Å; E294-D298 PolarHBondContact O-N 3.37Å; E294-D298 VanDerWaalsContact O-N 3.1Å; D298-C302 PolarHBondContact O-N 2.78Å; D298-C302 VanDerWaalsContact O-N 3.1Å; D298-C302 PolarHBondContact O-SG 3.02Å
299I94.1Very high92Very high0 Ų045.8 Ų45.80%023%0.229CC..Hα-helixtrans-62.9-49175.5-75.5179.2000111.3R250 L253 L254 F289 L290 Q295 C296 L297 V301 C302 L303 L311R250-I299 HydrophobicContact CG-CG1 4.46Å; L253-I299 HydrophobicContact CB-CD1 3.92Å; L253-I299 HydrophobicContact CD1-CD1 3.67Å; L253-I299 HydrophobicContact CG-CD1 4.45Å; L254-I299 HydrophobicContact CD2-CB 4.29Å; L254-I299 HydrophobicContact CD2-CG1 4.19Å; L254-I299 HydrophobicContact CD2-CG2 4.02Å; L254-I299 HydrophobicContact CG-CG1 4.34Å; F289-I299 HydrophobicContact CD1-CD1 4.3Å; F289-I299 HydrophobicContact CE1-CD1 3.59Å; L290-I299 HydrophobicContact CD2-CD1 3.79Å; Q295-I299 WeakPolarHBondContact O-CG1 3.42Å; Q295-I299 PolarHBondContact O-N 3.24Å; Q295-I299 VanDerWaalsContact O-N 3.14Å; C296-I299 PolarHBondContact O-N 2.76Å; L297-I299 VanDerWaalsContact C-N 3.31Å; L297-I299 PolarHBondContact O-N 3.46Å; I299-V301 VanDerWaalsContact C-N 3.32Å; I299-V301 PolarHBondContact O-N 3.03Å; I299-C302 PolarHBondContact O-N 3.39Å; I299-C302 VanDerWaalsContact O-N 3.16Å; I299-L303 HydrophobicContact CG2-CD1 3.77Å; I299-L303 HydrophobicContact CG2-CG 4.34Å; I299-L303 WeakPolarHBondContact O-CG 3.36Å; I299-L303 PolarHBondContact O-N 3.2Å; I299-L311 HydrophobicContact CG2-CD2 3.65Å
300C93.6Very high91.9Very high2 Ų245.3 Ų45.31%0.01423%0.226CC..Hα-helixtrans-60.6-43.1-178.8-66.80000111.7C296 L297 C302 L303 E304 T308 Y343C296-C300 PolarHBondContact O-N 2.8Å; C296-C300 PolarHBondContact O-SG 2.69Å; L297-C300 PolarHBondContact O-N 3.28Å; C300-C302 VanDerWaalsContact C-N 3.31Å; C300-C302 PolarHBondContact O-N 3.35Å; C300-L303 PolarHBondContact O-N 3.04Å; C300-E304 PolarHBondContact O-N 3.29Å; C300-T308 HydrophobicContact CB-CG2 4.37Å; C300-T308 PolarHBondContact O-OG1 3.41Å; C300-Y343 HydrophobicContact CB-CD1 3.6Å; C300-Y343 HydrophobicContact CB-CD2 3.79Å; C300-Y343 HydrophobicContact CB-CE1 3.87Å; C300-Y343 HydrophobicContact CB-CE2 4.06Å; C300-Y343 HydrophobicContact CB-CG 3.57Å; C300-Y343 WeakPolarHBondContact O-CE1 3.35Å; C300-Y343 PolarHBondContact O-OH 3.22Å
301V92.9Very high92Very high84 Ų8445.3 Ų45.351%0.50923%0.226SC..Hα-helixtrans-61.2-39.5176.3171.90000111.7L297 I299 Y343L297-V301 HydrophobicContact CD1-CG2 4.24Å; L297-V301 HydrophobicContact CG-CG2 4.37Å; L297-V301 WeakPolarHBondContact O-CB 3.45Å; L297-V301 VanDerWaalsContact O-CG2 3.27Å; L297-V301 WeakPolarHBondContact O-CG2 3.47Å; L297-V301 PolarHBondContact O-N 3.23Å; I299-V301 VanDerWaalsContact C-N 3.32Å; I299-V301 PolarHBondContact O-N 3.03Å; V301-Y343 WeakPolarHBondContact CA-OH 3.37Å; V301-Y343 HydrophobicContact CG2-CE2 3.9Å
302C93Very high92.1Very high67 Ų6744.2 Ų44.245%0.45322%0.218SC..Hα-helixtrans-71.2-32.7177.8-69.90000113.8R250 L254 D298 I299 C300R250-C302 PolarHBondContact NH2-SG 3.14Å; R250-C302 VanDerWaalsContact NH2-SG 3.37Å; L254-C302 HydrophobicContact CD1-CB 4.38Å; L254-C302 HydrophobicContact CD2-CB 3.61Å; D298-C302 PolarHBondContact O-N 2.78Å; D298-C302 VanDerWaalsContact O-N 3.1Å; D298-C302 PolarHBondContact O-SG 3.02Å; I299-C302 PolarHBondContact O-N 3.39Å; I299-C302 VanDerWaalsContact O-N 3.16Å; C300-C302 VanDerWaalsContact C-N 3.31Å; C300-C302 PolarHBondContact O-N 3.35Å
303L88.3Confident92.3Very high11 Ų1138.1 Ų38.16%0.05820%0.195CC..Hα-helixtrans-86.1-23.6-176.6-71.5-178.6000113.7L254 S258 I299 C300 H307 L311L254-L303 HydrophobicContact CD2-CD1 4.37Å; L254-L303 HydrophobicContact CD2-CD2 3.86Å; L254-L303 HydrophobicContact CD2-CG 3.74Å; L254-L303 WeakPolarHBondContact O-CD2 3.35Å; S258-L303 VanDerWaalsContact CB-CD2 3.42Å; I299-L303 HydrophobicContact CG2-CD1 3.77Å; I299-L303 HydrophobicContact CG2-CG 4.34Å; I299-L303 WeakPolarHBondContact O-CG 3.36Å; I299-L303 PolarHBondContact O-N 3.2Å; C300-L303 PolarHBondContact O-N 3.04Å; L303-H307 HydrophobicContact CB-CB 3.97Å; L303-H307 HydrophobicContact CD2-CB 4.12Å; L303-H307 WeakPolarHBondContact O-CB 3.22Å; L303-H307 PolarHBondContact O-ND1 2.91Å; L303-L311 HydrophobicContact CD1-CB 4.08Å; L303-L311 HydrophobicContact CD1-CD2 3.73Å
304E88.4Confident92.6Very high79 Ų7931.7 Ų31.737%0.36917%0.165SC..Hα-helixtrans60.6175.8-166.1-48.2-171.8-17700112.8C300 S306 T308 Y347C300-E304 PolarHBondContact O-N 3.29Å; E304-S306 PolarHBondContact O-N 3.33Å; E304-T308 VanDerWaalsContact O-CB 3.25Å; E304-T308 WeakPolarHBondContact O-CB 3.19Å; E304-T308 PolarHBondContact O-N 3.4Å; E304-T308 PolarHBondContact O-OG1 3.43Å; E304-Y347 HydrophobicContact CB-CE2 3.73Å; E304-Y347 HydrophobicContact CG-CE2 4.26Å; E304-Y347 PolarHBondContact OE2-OH 2.91Å
305G85.9Confident92.9Very high0 Ų023.6 Ų23.60%013%0.128CC..Hα-helixtrans-54.8-50.8-171.900000114.9T308 L309G305-T308 PolarHBondContact O-N 3.18Å; G305-L309 PolarHBondContact O-N 2.94Å
306S88.3Confident93.2Very high0 Ų021.8 Ų21.80%012%0.12CC..Hα-helixtrans-72.9-35.1-169.9-39.30000113.8E304 L309 C310 Q367E304-S306 PolarHBondContact O-N 3.33Å; S306-L309 WeakPolarHBondContact O-CB 3.45Å; S306-C310 PolarHBondContact O-N 2.6Å; S306-C310 PolarHBondContact O-SG 2.99Å; S306-Q367 PolarHBondContact OG-NE2 3.01Å; S306-Q367 PolarHBondContact OG-OE1 3.02Å
307H90.9Very high93.3Very high45 Ų4522.4 Ų22.421%0.20812%0.122CC..Hα-helixtrans-82-25.7173.9-58.490.8000112.2L303 L309 C310 L311L303-H307 HydrophobicContact CB-CB 3.97Å; L303-H307 HydrophobicContact CD2-CB 4.12Å; L303-H307 WeakPolarHBondContact O-CB 3.22Å; L303-H307 PolarHBondContact O-ND1 2.91Å; H307-L309 VanDerWaalsContact C-N 3.27Å; H307-L309 PolarHBondContact O-N 3.07Å; H307-C310 WeakPolarHBondContact O-CB 3.41Å; H307-C310 PolarHBondContact O-N 3.25Å; H307-L311 PolarHBondContact O-N 3.27Å
308T94.4Very high93.4Very high0 Ų017.9 Ų17.90%010%0.098CC..Hα-helixtrans-60.6-40.8167.3-58.30000110.1C300 E304 G305 C310 L311 L312 M340 Y343C300-T308 HydrophobicContact CB-CG2 4.37Å; C300-T308 PolarHBondContact O-OG1 3.41Å; E304-T308 VanDerWaalsContact O-CB 3.25Å; E304-T308 WeakPolarHBondContact O-CB 3.19Å; E304-T308 PolarHBondContact O-N 3.4Å; E304-T308 PolarHBondContact O-OG1 3.43Å; G305-T308 PolarHBondContact O-N 3.18Å; T308-C310 VanDerWaalsContact C-N 3.33Å; T308-C310 PolarHBondContact O-N 3.08Å; T308-L311 PolarHBondContact O-N 2.92Å; T308-L312 WeakPolarHBondContact O-CB 3.5Å; T308-L312 PolarHBondContact O-N 3.39Å; T308-M340 HydrophobicContact CG2-CB 4.15Å; T308-M340 HydrophobicContact CG2-CG 4.27Å; T308-Y343 HydrophobicContact CG2-CD1 4.36Å
309L93.6Very high93.5Very high0 Ų014.8 Ų14.80%08%0.082CC..Hα-helixtrans-62.2-37.2173.5-169.971000112.9G305 S306 H307 L312 G313 V361 L362 V380 L384 L474G305-L309 PolarHBondContact O-N 2.94Å; S306-L309 WeakPolarHBondContact O-CB 3.45Å; H307-L309 VanDerWaalsContact C-N 3.27Å; H307-L309 PolarHBondContact O-N 3.07Å; L309-L312 HydrophobicContact CD1-CD2 4.21Å; L309-L312 WeakPolarHBondContact O-CB 3.38Å; L309-L312 PolarHBondContact O-N 3.29Å; L309-G313 PolarHBondContact O-N 3.12Å; L309-V361 HydrophobicContact CD1-CG1 4.36Å; L309-V361 HydrophobicContact CD2-CB 3.74Å; L309-V361 HydrophobicContact CD2-CG1 3.79Å; L309-V361 HydrophobicContact CD2-CG2 4.09Å; L309-L362 HydrophobicContact CD2-CG 4.34Å; L309-V380 HydrophobicContact CG-CG1 4.39Å; L309-L384 HydrophobicContact CD1-CD1 3.8Å; L309-L384 HydrophobicContact CD1-CD2 4.35Å; L309-L384 HydrophobicContact CG-CD1 4.25Å; L309-L474 HydrophobicContact CD1-CD2 3.97Å
310C94.9Very high93.5Very high0 Ų019 Ų190%010%0.098CC..Hα-helixtrans-66.1-43.4175.3-64.80000111.8S258 S306 H307 T308 L312 G313 N314S258-C310 WeakPolarHBondContact O-CB 3.29Å; S306-C310 PolarHBondContact O-N 2.6Å; S306-C310 PolarHBondContact O-SG 2.99Å; H307-C310 WeakPolarHBondContact O-CB 3.41Å; H307-C310 PolarHBondContact O-N 3.25Å; T308-C310 VanDerWaalsContact C-N 3.33Å; T308-C310 PolarHBondContact O-N 3.08Å; C310-L312 VanDerWaalsContact C-N 3.35Å; C310-G313 PolarHBondContact O-N 3.21Å; C310-N314 WeakPolarHBondContact O-CB 3.39Å; C310-N314 PolarHBondContact O-N 3.23Å; C310-N314 PolarHBondContact O-ND2 2.94Å; C310-N314 VanDerWaalsContact O-ND2 3.09Å
311L96.6Very high93.4Very high0 Ų021.8 Ų21.80%011%0.113CC..Hα-helixtrans-59.7-46.7173.1177.460.1000111.1L253 M257 I299 L303 H307 T308 G313 N314 L315 M340L253-L311 HydrophobicContact CD2-CD1 4Å; M257-L311 HydrophobicContact CB-CD1 3.56Å; M257-L311 WeakPolarHBondContact O-CA 3.44Å; I299-L311 HydrophobicContact CG2-CD2 3.65Å; L303-L311 HydrophobicContact CD1-CB 4.08Å; L303-L311 HydrophobicContact CD1-CD2 3.73Å; H307-L311 PolarHBondContact O-N 3.27Å; T308-L311 PolarHBondContact O-N 2.92Å; L311-G313 PolarHBondContact O-N 3.22Å; L311-N314 PolarHBondContact O-N 3Å; L311-L315 HydrophobicContact CD1-CD1 4.15Å; L311-L315 HydrophobicContact CD1-CG 4.15Å; L311-L315 HydrophobicContact CG-CD1 4.06Å; L311-L315 HydrophobicContact CG-CG 4.48Å; L311-L315 WeakPolarHBondContact O-CG 3.31Å; L311-L315 PolarHBondContact O-N 3.22Å; L311-M340 HydrophobicContact CD2-CE 3.52Å; L311-M340 HydrophobicContact CD2-SD 4.48Å; L311-M340 HydrophobicContact CG-CE 4.03Å
312L96.4Very high93.3Very high1 Ų118.9 Ų18.91%0.0059%0.094CC..Hα-helixtrans-55.2-50.9176.4-169.182.2000111.5T308 L309 C310 N314 L315 I316 L337 M340 L341 L384T308-L312 WeakPolarHBondContact O-CB 3.5Å; T308-L312 PolarHBondContact O-N 3.39Å; L309-L312 HydrophobicContact CD1-CD2 4.21Å; L309-L312 WeakPolarHBondContact O-CB 3.38Å; L309-L312 PolarHBondContact O-N 3.29Å; C310-L312 VanDerWaalsContact C-N 3.35Å; L312-N314 PolarHBondContact O-N 2.99Å; L312-L315 PolarHBondContact O-N 2.96Å; L312-I316 HydrophobicContact CD2-CD1 4.32Å; L312-I316 HydrophobicContact CG-CD1 3.88Å; L312-I316 VanDerWaalsContact O-CG1 3.31Å; L312-I316 WeakPolarHBondContact O-CG1 3.49Å; L312-I316 PolarHBondContact O-N 2.92Å; L312-L337 HydrophobicContact CD1-CB 4.09Å; L312-L337 HydrophobicContact CD1-CD2 3.36Å; L312-L337 HydrophobicContact CD1-CG 4.28Å; L312-L337 HydrophobicContact CG-CD2 4.19Å; L312-M340 HydrophobicContact CD1-CB 3.74Å; L312-M340 HydrophobicContact CD1-CG 4.45Å; L312-M340 HydrophobicContact CD1-SD 3.94Å; L312-L341 HydrophobicContact CD1-CG 4.49Å; L312-L341 HydrophobicContact CD2-CD2 3.57Å; L312-L341 HydrophobicContact CD2-CG 3.89Å; L312-L384 HydrophobicContact CD2-CD2 3.81Å; L312-L384 HydrophobicContact CG-CD2 4.23Å
313G96.3Very high93.1Very high0 Ų020.3 Ų20.30%010%0.095CC..Hα-helixtrans-60.4-41.6177.600000113L309 C310 L311 I316 H317 Q383L309-G313 PolarHBondContact O-N 3.12Å; C310-G313 PolarHBondContact O-N 3.21Å; L311-G313 PolarHBondContact O-N 3.22Å; G313-I316 PolarHBondContact O-N 3.4Å; G313-H317 WeakPolarHBondContact O-CB 3.34Å; G313-H317 PolarHBondContact O-N 3.42Å; G313-Q383 WeakPolarHBondContact O-CB 3.21Å
314N96.7Very high93.2Very high0 Ų027.9 Ų27.90%013%0.127CC..Hα-helixtrans-66.2-40.1176.9-73.4-41.4000112.7M257 V259 V262 V263 C310 L311 L312 L318 Q383M257-N314 HydrophobicContact CE-CB 3.87Å; M257-N314 PolarHBondContact O-ND2 3.48Å; V259-N314 PolarHBondContact O-ND2 3.46Å; V262-N314 PolarHBondContact N-OD1 3.19Å; V263-N314 HydrophobicContact CB-CB 4.41Å; V263-N314 HydrophobicContact CG2-CB 3.68Å; V263-N314 PolarHBondContact N-OD1 3.46Å; C310-N314 WeakPolarHBondContact O-CB 3.39Å; C310-N314 PolarHBondContact O-N 3.23Å; C310-N314 PolarHBondContact O-ND2 2.94Å; C310-N314 VanDerWaalsContact O-ND2 3.09Å; L311-N314 PolarHBondContact O-N 3Å; L312-N314 PolarHBondContact O-N 2.99Å; N314-L318 WeakPolarHBondContact O-CG 3.33Å; N314-L318 PolarHBondContact O-N 3.28Å; N314-Q383 PolarHBondContact OD1-NE2 3.45Å
315L96.8Very high93.4Very high4 Ų425 Ų252%0.02111%0.114CC..Hα-helixtrans-65.7-43.5175.5-70.4173.1000112F286 L290 L311 L312 H317 L318 G319 M340F286-L315 HydrophobicContact CB-CD2 4.13Å; F286-L315 HydrophobicContact CD2-CD2 4.27Å; L290-L315 HydrophobicContact CD1-CD1 3.61Å; L311-L315 HydrophobicContact CD1-CD1 4.15Å; L311-L315 HydrophobicContact CD1-CG 4.15Å; L311-L315 HydrophobicContact CG-CD1 4.06Å; L311-L315 HydrophobicContact CG-CG 4.48Å; L311-L315 WeakPolarHBondContact O-CG 3.31Å; L311-L315 PolarHBondContact O-N 3.22Å; L312-L315 PolarHBondContact O-N 2.96Å; L315-H317 PolarHBondContact O-N 3.09Å; L315-L318 PolarHBondContact O-N 3.15Å; L315-G319 PolarHBondContact O-N 3.4Å; L315-M340 HydrophobicContact CD1-CE 4Å; L315-M340 HydrophobicContact CD1-SD 4.15Å
316I96.9Very high93.7Very high3 Ų325 Ų252%0.01511%0.114CC..Hα-helixtrans-59.8-46.4176-70.8163.1000110.9L312 G313 L318 G319 Y320 L337 Q383 L384 H386 L387L312-I316 HydrophobicContact CD2-CD1 4.32Å; L312-I316 HydrophobicContact CG-CD1 3.88Å; L312-I316 VanDerWaalsContact O-CG1 3.31Å; L312-I316 WeakPolarHBondContact O-CG1 3.49Å; L312-I316 PolarHBondContact O-N 2.92Å; G313-I316 PolarHBondContact O-N 3.4Å; I316-L318 VanDerWaalsContact C-N 3.34Å; I316-L318 PolarHBondContact O-N 2.95Å; I316-G319 PolarHBondContact O-N 2.94Å; I316-Y320 PolarHBondContact O-N 3.28Å; I316-L337 HydrophobicContact CD1-CD1 4.33Å; I316-L337 HydrophobicContact CD1-CD2 4.37Å; I316-L337 HydrophobicContact CG1-CD1 3.84Å; I316-L337 HydrophobicContact CG1-CD2 3.93Å; I316-Q383 VanDerWaalsContact CG2-O 3.29Å; I316-Q383 WeakPolarHBondContact CG2-O 3.33Å; I316-L384 HydrophobicContact CD1-CD2 3.76Å; I316-H386 HydrophobicContact CG2-CB 3.99Å; I316-L387 HydrophobicContact CD1-CB 4.1Å; I316-L387 HydrophobicContact CD1-CD2 4.08Å; I316-L387 HydrophobicContact CG1-CB 4.44Å; I316-L387 HydrophobicContact CG2-CB 3.86Å
317H96.1Very high93.9Very high14 Ų1430.9 Ų30.97%0.06514%0.142CC..Hα-helixtrans-64.2-38.8177.5-165.7174000111.5V263 G313 L315 Y320 L321 Q383 H386V263-H317 HydrophobicContact CB-CB 4.43Å; V263-H317 HydrophobicContact CG1-CB 3.96Å; G313-H317 WeakPolarHBondContact O-CB 3.34Å; G313-H317 PolarHBondContact O-N 3.42Å; L315-H317 PolarHBondContact O-N 3.09Å; H317-Y320 PolarHBondContact O-N 2.75Å; H317-L321 WeakPolarHBondContact O-CG 3.2Å; H317-L321 PolarHBondContact O-N 2.92Å; H317-L321 VanDerWaalsContact O-N 3.09Å; H317-Q383 HydrophobicContact CB-CB 4.31Å; H317-Q383 HydrophobicContact CB-CG 4.14Å; H317-H386 AromaticContact CD2-CD2 3.99Å
318L94.9Very high94Very high0 Ų034.5 Ų34.50%016%0.159CC..Hα-helixtrans-64.7-38.4174-76.2-179.2000113.2M257 V263 M274 I277 L283 F286 N314 L315 I316 L321 N322M257-L318 HydrophobicContact CE-CD1 3.45Å; M257-L318 VanDerWaalsContact CE-CD1 3.45Å; M257-L318 HydrophobicContact CE-CG 4.38Å; V263-L318 HydrophobicContact CG1-CD2 3.67Å; V263-L318 HydrophobicContact CG1-CG 3.92Å; V263-L318 HydrophobicContact CG2-CD1 4.25Å; V263-L318 HydrophobicContact CG2-CD2 4.1Å; V263-L318 HydrophobicContact CG2-CG 3.83Å; M274-L318 HydrophobicContact CE-CD2 3.77Å; I277-L318 HydrophobicContact CD1-CD2 4.23Å; I277-L318 HydrophobicContact CG2-CD2 4.05Å; L283-L318 HydrophobicContact CD1-CB 4Å; F286-L318 HydrophobicContact CD2-CD1 4.33Å; F286-L318 HydrophobicContact CE2-CD1 4.21Å; N314-L318 WeakPolarHBondContact O-CG 3.33Å; N314-L318 PolarHBondContact O-N 3.28Å; L315-L318 PolarHBondContact O-N 3.15Å; I316-L318 VanDerWaalsContact C-N 3.34Å; I316-L318 PolarHBondContact O-N 2.95Å; L318-L321 PolarHBondContact O-N 2.91Å; L318-N322 PolarHBondContact O-N 3.2Å; L318-N322 PolarHBondContact O-ND2 3.29Å
319G93.7Very high93.9Very high0 Ų035.9 Ų35.90%017%0.166CC..Hα-helixtrans-61.4-46.417400000111.8L315 I316 L321 N322L315-G319 PolarHBondContact O-N 3.4Å; I316-G319 PolarHBondContact O-N 2.94Å; G319-L321 VanDerWaalsContact C-N 3.29Å; G319-L321 PolarHBondContact O-N 3.41Å; G319-N322 CarbonylContact O-C 3.59Å; G319-N322 PolarHBondContact O-N 2.88Å; G319-N322 VanDerWaalsContact O-N 3.09Å
320Y94.4Very high93.9Very high88 Ų8836.1 Ų36.135%0.34517%0.168SC..Hα-helixtrans-58-38.1175173.2-108.2000113I316 H317 N322 H386 V392I316-Y320 PolarHBondContact O-N 3.28Å; H317-Y320 PolarHBondContact O-N 2.75Å; Y320-N322 VanDerWaalsContact C-N 3.32Å; Y320-N322 PolarHBondContact O-N 3.34Å; Y320-H386 AromaticContact CD1-CE1 3.9Å; Y320-H386 AromaticContact CD1-ND1 3.74Å; Y320-H386 HydrophobicContact CD2-CB 4.41Å; Y320-H386 AromaticContact CE1-CE1 3.77Å; Y320-H386 AromaticContact CE1-ND1 3.82Å; Y320-H386 HydrophobicContact CG-CB 4.08Å; Y320-H386 AromaticContact CG-CG 3.98Å; Y320-H386 AromaticContact CG-ND1 3.9Å; Y320-V392 HydrophobicContact CD2-CG2 4.15Å
321L92.2Very high93.8Very high62 Ų6240.7 Ų40.733%0.32519%0.192SC..Hα-helixtrans-78.2-13.5178.5-65.6174.6000113.9V263 M274 H317 L318 G319V263-L321 HydrophobicContact CG1-CD1 4.35Å; M274-L321 HydrophobicContact CE-CD1 3.61Å; H317-L321 WeakPolarHBondContact O-CG 3.2Å; H317-L321 PolarHBondContact O-N 2.92Å; H317-L321 VanDerWaalsContact O-N 3.09Å; L318-L321 PolarHBondContact O-N 2.91Å; G319-L321 VanDerWaalsContact C-N 3.29Å; G319-L321 PolarHBondContact O-N 3.41Å
322N91.3Very high93.7Very high22 Ų2244.2 Ų44.212%0.11821%0.209CC..  trans-13365.3-175-61.4-63.2000111.6Q278 L283 L318 G319 Y320 K324 V325 L326Q278-N322 VanDerWaalsContact CG-OD1 3.31Å; Q278-N322 WeakPolarHBondContact CG-OD1 3.39Å; Q278-N322 PolarHBondContact NE2-OD1 3.16Å; L283-N322 HydrophobicContact CD2-CB 3.81Å; L318-N322 PolarHBondContact O-N 3.2Å; L318-N322 PolarHBondContact O-ND2 3.29Å; G319-N322 CarbonylContact O-C 3.59Å; G319-N322 PolarHBondContact O-N 2.88Å; G319-N322 VanDerWaalsContact O-N 3.09Å; Y320-N322 VanDerWaalsContact C-N 3.32Å; Y320-N322 PolarHBondContact O-N 3.34Å; N322-K324 PolarHBondContact O-N 3.1Å; N322-K324 VanDerWaalsContact O-N 3.13Å; N322-V325 HydrophobicContact CB-CB 4.49Å; N322-V325 PolarHBondContact O-N 3.41Å; N322-V325 VanDerWaalsContact O-N 3.15Å; N322-L326 PolarHBondContact O-N 3.44Å; N322-L326 VanDerWaalsContact O-N 3.13Å
323E88.6Confident93.6Very high98 Ų9844.4 Ų44.446%0.45821%0.209SC..Hα-helixtrans-52.9-37.4-175.9-64.3-177.1163.200113.6L326 E327 S391E323-L326 WeakPolarHBondContact O-CB 3.19Å; E323-L326 PolarHBondContact O-N 2.84Å; E323-E327 WeakPolarHBondContact O-CB 3.12Å; E323-E327 PolarHBondContact O-N 2.99Å; E323-S391 WeakPolarHBondContact OE1-CB 3.46Å; E323-S391 PolarHBondContact OE1-OG 2.96Å
324K90.3Very high93.6Very high169 Ų16944.5 Ų44.574%0.73521%0.21SC*.Hα-helixtrans-61.1-47.9179.2-65.8-174.7178.5-176.40113N322 L326 E327 E328N322-K324 PolarHBondContact O-N 3.1Å; N322-K324 VanDerWaalsContact O-N 3.13Å; K324-L326 VanDerWaalsContact C-N 3.3Å; K324-E327 PolarHBondContact O-N 3.24Å; K324-E328 WeakPolarHBondContact O-CG 3.47Å; K324-E328 PolarHBondContact O-N 3.23Å; K324-E328 VanDerWaalsContact O-N 3.08Å
325V92.8Very high93.5Very high18 Ų1848.7 Ų48.711%0.10923%0.228CC..Hα-helixtrans-69.3-36.2179.7176.40000110.1L283 R284 N322 E327 E328 E329L283-V325 HydrophobicContact CB-CG1 4.25Å; L283-V325 HydrophobicContact CD2-CB 4.05Å; L283-V325 HydrophobicContact CD2-CG1 3.89Å; L283-V325 HydrophobicContact CG-CG1 3.93Å; R284-V325 HydrophobicContact CB-CG1 3.84Å; N322-V325 HydrophobicContact CB-CB 4.49Å; N322-V325 PolarHBondContact O-N 3.41Å; N322-V325 VanDerWaalsContact O-N 3.15Å; V325-E327 VanDerWaalsContact C-N 3.35Å; V325-E328 PolarHBondContact O-N 3.31Å; V325-E329 HydrophobicContact CG1-CG 4.49Å; V325-E329 WeakPolarHBondContact O-CB 3.44Å; V325-E329 PolarHBondContact O-N 3.25Å
326L92.8Very high93.5Very high0 Ų048.6 Ų48.60%023%0.228CC..Hα-helixtrans-62.7-40.6175179.562.9000111.9N322 E323 K324 A330 F333 V392 T395 L396N322-L326 PolarHBondContact O-N 3.44Å; N322-L326 VanDerWaalsContact O-N 3.13Å; E323-L326 WeakPolarHBondContact O-CB 3.19Å; E323-L326 PolarHBondContact O-N 2.84Å; K324-L326 VanDerWaalsContact C-N 3.3Å; L326-A330 WeakPolarHBondContact O-CA 3.38Å; L326-A330 VanDerWaalsContact O-CB 3.29Å; L326-A330 WeakPolarHBondContact O-CB 3.23Å; L326-A330 PolarHBondContact O-N 3.48Å; L326-F333 HydrophobicContact CD1-CB 4.3Å; L326-F333 HydrophobicContact CD1-CD1 3.24Å; L326-F333 HydrophobicContact CD1-CD2 4.34Å; L326-F333 HydrophobicContact CD1-CE1 3.44Å; L326-F333 VanDerWaalsContact CD1-CE1 3.44Å; L326-F333 HydrophobicContact CD1-CG 3.72Å; L326-F333 HydrophobicContact CD1-CZ 4.09Å; L326-V392 HydrophobicContact CD2-CG1 4.28Å; L326-V392 HydrophobicContact CD2-CG2 4.23Å; L326-T395 HydrophobicContact CB-CG2 4.46Å; L326-T395 HydrophobicContact CD2-CG2 4.16Å; L326-T395 HydrophobicContact CG-CG2 4.03Å; L326-L396 HydrophobicContact CD1-CD2 4.38Å
327E91.3Very high93.4Very high124 Ų12448.5 Ų48.558%0.57923%0.227SC*.Hα-helixtrans-65.6-45.7176-171.2177.7-174.600111.6E323 K324 V325 T395E323-E327 WeakPolarHBondContact O-CB 3.12Å; E323-E327 PolarHBondContact O-N 2.99Å; K324-E327 PolarHBondContact O-N 3.24Å; V325-E327 VanDerWaalsContact C-N 3.35Å; E327-T395 HydrophobicContact CB-CG2 3.88Å; E327-T395 HydrophobicContact CG-CG2 4.44Å
328E92.3Very high93.5Very high122 Ų12248.6 Ų48.657%0.5723%0.229SC*.Hα-helixtrans-67.2-38-179.1-70171.4158.600112.7R284 K324 V325R284-E328 IonicContact CZ-OE2 2.7Å; R284-E328 IonicContact NH1-OE2 3.25Å; R284-E328 IonicContact NH2-OE2 3.38Å; R284-E328 PolarHBondContact NH2-OE2 2.95Å; K324-E328 WeakPolarHBondContact O-CG 3.47Å; K324-E328 PolarHBondContact O-N 3.23Å; K324-E328 VanDerWaalsContact O-N 3.08Å; V325-E328 PolarHBondContact O-N 3.31Å
329E94.3Very high93.5Very high28 Ų2851 Ų5113%0.13124%0.241CC..THydrogen-bonded Turntrans-110.119.8-175.3-57.9-63.1162.300113.8R284 I287 V325 N331 H332 F333R284-E329 HydrophobicContact CG-CG 4.17Å; R284-E329 IonicContact CZ-OE1 3.43Å; R284-E329 IonicContact NE-OE1 3.31Å; R284-E329 PolarHBondContact NE-OE1 3.39Å; R284-E329 IonicContact NH2-OE1 3.44Å; I287-E329 HydrophobicContact CD1-CB 4.1Å; I287-E329 HydrophobicContact CG2-CB 4.05Å; V325-E329 HydrophobicContact CG1-CG 4.49Å; V325-E329 WeakPolarHBondContact O-CB 3.44Å; V325-E329 PolarHBondContact O-N 3.25Å; E329-N331 VanDerWaalsContact C-N 3.27Å; E329-N331 PolarHBondContact O-N 3.42Å; E329-N331 VanDerWaalsContact O-N 3.13Å; E329-H332 PolarHBondContact O-N 2.9Å; E329-H332 VanDerWaalsContact O-N 3.13Å; E329-H332 IonicContact OE2-CE1 3.52Å; E329-H332 IonicContact OE2-ND1 3.68Å; E329-H332 PolarHBondContact OE2-ND1 3.26Å; E329-F333 WeakPolarHBondContact O-CB 3.24Å; E329-F333 PolarHBondContact O-N 2.87Å
330A92Very high93.6Very high6 Ų651 Ų515%0.0524%0.242CC..Hα-helixtrans-51.7-41.9-172.500000113.5L326 F333 V334 L396L326-A330 WeakPolarHBondContact O-CA 3.38Å; L326-A330 VanDerWaalsContact O-CB 3.29Å; L326-A330 WeakPolarHBondContact O-CB 3.23Å; L326-A330 PolarHBondContact O-N 3.48Å; A330-F333 PolarHBondContact O-N 2.97Å; A330-V334 WeakPolarHBondContact O-CB 3.38Å; A330-V334 WeakPolarHBondContact O-CG2 3.42Å; A330-V334 PolarHBondContact O-N 3.24Å; A330-L396 HydrophobicContact CB-CD2 4.19Å
331N92.4Very high93.6Very high95 Ų9546.9 Ų46.951%0.50823%0.225SC..Hα-helixtrans-64.6-46.3-178.5-68-25.8000112.3E329 K335 K459E329-N331 VanDerWaalsContact C-N 3.27Å; E329-N331 PolarHBondContact O-N 3.42Å; E329-N331 VanDerWaalsContact O-N 3.13Å; N331-K335 WeakPolarHBondContact O-CB 3.35Å; N331-K335 PolarHBondContact O-N 3.32Å; N331-K335 VanDerWaalsContact O-N 3.13Å; N331-K459 WeakPolarHBondContact OD1-CG 3.39Å
332H94.9Very high93.7Very high75 Ų7545.1 Ų45.135%0.34722%0.219SC..Hα-helixtrans-66-44.4177.2-63.1119.4000110.2I287 E329 V334 K335 D336I287-H332 HydrophobicContact CG2-CB 3.33Å; E329-H332 PolarHBondContact O-N 2.9Å; E329-H332 VanDerWaalsContact O-N 3.13Å; E329-H332 IonicContact OE2-CE1 3.52Å; E329-H332 IonicContact OE2-ND1 3.68Å; E329-H332 PolarHBondContact OE2-ND1 3.26Å; H332-V334 PolarHBondContact O-N 3Å; H332-K335 WeakPolarHBondContact O-CB 3.34Å; H332-K335 PolarHBondContact O-N 3Å; H332-D336 PolarHBondContact O-N 3.12Å
333F95.8Very high93.9Very high5 Ų546 Ų462%0.02222%0.22CC..Hα-helixtrans-59.3-47.3178.6-174.9-105.3000112.6I287 L326 E329 A330 K335 D336 L337I287-F333 HydrophobicContact CD1-CB 4.15Å; I287-F333 HydrophobicContact CD1-CD2 3.78Å; I287-F333 HydrophobicContact CD1-CG 4.37Å; I287-F333 HydrophobicContact CG1-CD2 3.94Å; I287-F333 HydrophobicContact CG2-CB 4.49Å; L326-F333 HydrophobicContact CD1-CB 4.3Å; L326-F333 HydrophobicContact CD1-CD1 3.24Å; L326-F333 HydrophobicContact CD1-CD2 4.34Å; L326-F333 HydrophobicContact CD1-CE1 3.44Å; L326-F333 VanDerWaalsContact CD1-CE1 3.44Å; L326-F333 HydrophobicContact CD1-CG 3.72Å; L326-F333 HydrophobicContact CD1-CZ 4.09Å; E329-F333 WeakPolarHBondContact O-CB 3.24Å; E329-F333 PolarHBondContact O-N 2.87Å; A330-F333 PolarHBondContact O-N 2.97Å; F333-K335 VanDerWaalsContact C-N 3.32Å; F333-K335 PolarHBondContact O-N 2.99Å; F333-D336 PolarHBondContact O-N 3.42Å; F333-L337 HydrophobicContact CD1-CD1 3.95Å; F333-L337 HydrophobicContact CD1-CG 4.45Å; F333-L337 HydrophobicContact CE1-CD1 3.42Å; F333-L337 VanDerWaalsContact CE1-CD1 3.42Å; F333-L337 HydrophobicContact CE1-CG 4.22Å; F333-L337 HydrophobicContact CE2-CD1 4.37Å; F333-L337 HydrophobicContact CE2-CD2 4.39Å; F333-L337 HydrophobicContact CE2-CG 4.46Å; F333-L337 HydrophobicContact CZ-CD1 3.68Å; F333-L337 HydrophobicContact CZ-CD2 4.34Å; F333-L337 HydrophobicContact CZ-CG 4.23Å; F333-L337 WeakPolarHBondContact O-CG 3.46Å; F333-L337 PolarHBondContact O-N 3.15Å
334V95.8Very high94.1Very high2 Ų241.3 Ų41.31%0.01220%0.199CC..Hα-helixtrans-60.6-42.5177.21670000111.2A330 H332 T338 L396 S462 I463 L466A330-V334 WeakPolarHBondContact O-CB 3.38Å; A330-V334 WeakPolarHBondContact O-CG2 3.42Å; A330-V334 PolarHBondContact O-N 3.24Å; H332-V334 PolarHBondContact O-N 3Å; V334-T338 WeakPolarHBondContact O-CB 3.33Å; V334-T338 PolarHBondContact O-N 3.01Å; V334-T338 PolarHBondContact O-OG1 3.26Å; V334-L396 HydrophobicContact CG2-CD1 4.41Å; V334-L396 HydrophobicContact CG2-CD2 3.84Å; V334-S462 WeakPolarHBondContact CG1-O 3.24Å; V334-I463 HydrophobicContact CG1-CG1 4.34Å; V334-I463 HydrophobicContact CG2-CG1 3.9Å; V334-L466 HydrophobicContact CB-CD2 4.39Å; V334-L466 HydrophobicContact CG1-CB 4Å; V334-L466 HydrophobicContact CG1-CD2 4.17Å; V334-L466 HydrophobicContact CG2-CD2 4.13Å
335K94.9Very high94.2Very high87 Ų8736.7 Ų36.738%0.37818%0.18SC..Hα-helixtrans-61.6-51.1176.1-174.5-170.2173.5-1650111.4S291 N331 H332 F333 L337 T338 D339S291-K335 PolarHBondContact O-NZ 3.07Å; S291-K335 VanDerWaalsContact O-NZ 3.12Å; N331-K335 WeakPolarHBondContact O-CB 3.35Å; N331-K335 PolarHBondContact O-N 3.32Å; N331-K335 VanDerWaalsContact O-N 3.13Å; H332-K335 WeakPolarHBondContact O-CB 3.34Å; H332-K335 PolarHBondContact O-N 3Å; F333-K335 VanDerWaalsContact C-N 3.32Å; F333-K335 PolarHBondContact O-N 2.99Å; K335-L337 VanDerWaalsContact C-N 3.34Å; K335-L337 PolarHBondContact O-N 3.31Å; K335-T338 WeakPolarHBondContact O-CB 3.48Å; K335-T338 PolarHBondContact O-N 3.43Å; K335-T338 VanDerWaalsContact O-N 3.08Å; K335-D339 PolarHBondContact O-N 3.01Å
336D95.1Very high94.1Very high3 Ų344 Ų442%0.01621%0.205CC..Hα-helixtrans-57.5-45.9-178.1-64.8-16.9000111.8I287 L290 S291 H332 F333 D339 M340I287-D336 WeakPolarHBondContact CA-OD2 3.29Å; I287-D336 VanDerWaalsContact O-OD2 3.11Å; L290-D336 HydrophobicContact CB-CB 4.24Å; L290-D336 WeakPolarHBondContact CB-OD2 3.18Å; S291-D336 WeakPolarHBondContact CA-OD1 3.49Å; S291-D336 PolarHBondContact N-OD1 2.97Å; S291-D336 VanDerWaalsContact N-OD1 3.08Å; H332-D336 PolarHBondContact O-N 3.12Å; F333-D336 PolarHBondContact O-N 3.42Å; D336-D339 PolarHBondContact O-N 3.46Å; D336-M340 WeakPolarHBondContact O-CG 3.27Å; D336-M340 PolarHBondContact O-N 3.19Å; D336-M340 VanDerWaalsContact O-N 3.07Å
337L96.8Very high94Very high1 Ų144.6 Ų44.61%0.00521%0.208CC..Hα-helixtrans-65.7-38.8177.6-62.8-173.9000111.9L312 I316 F333 K335 M340 L341 L387 L466L312-L337 HydrophobicContact CD1-CB 4.09Å; L312-L337 HydrophobicContact CD1-CD2 3.36Å; L312-L337 HydrophobicContact CD1-CG 4.28Å; L312-L337 HydrophobicContact CG-CD2 4.19Å; I316-L337 HydrophobicContact CD1-CD1 4.33Å; I316-L337 HydrophobicContact CD1-CD2 4.37Å; I316-L337 HydrophobicContact CG1-CD1 3.84Å; I316-L337 HydrophobicContact CG1-CD2 3.93Å; F333-L337 HydrophobicContact CD1-CD1 3.95Å; F333-L337 HydrophobicContact CD1-CG 4.45Å; F333-L337 HydrophobicContact CE1-CD1 3.42Å; F333-L337 VanDerWaalsContact CE1-CD1 3.42Å; F333-L337 HydrophobicContact CE1-CG 4.22Å; F333-L337 HydrophobicContact CE2-CD1 4.37Å; F333-L337 HydrophobicContact CE2-CD2 4.39Å; F333-L337 HydrophobicContact CE2-CG 4.46Å; F333-L337 HydrophobicContact CZ-CD1 3.68Å; F333-L337 HydrophobicContact CZ-CD2 4.34Å; F333-L337 HydrophobicContact CZ-CG 4.23Å; F333-L337 WeakPolarHBondContact O-CG 3.46Å; F333-L337 PolarHBondContact O-N 3.15Å; K335-L337 VanDerWaalsContact C-N 3.34Å; K335-L337 PolarHBondContact O-N 3.31Å; L337-M340 PolarHBondContact O-N 3.45Å; L337-L341 WeakPolarHBondContact O-CB 3.32Å; L337-L341 VanDerWaalsContact O-CG 3.31Å; L337-L341 WeakPolarHBondContact O-CG 3.41Å; L337-L341 PolarHBondContact O-N 2.88Å; L337-L387 HydrophobicContact CD1-CD1 3.87Å; L337-L466 HydrophobicContact CB-CD1 3.56Å; L337-L466 HydrophobicContact CB-CD2 4.5Å; L337-L466 HydrophobicContact CD1-CD1 4.48Å; L337-L466 HydrophobicContact CD1-CD2 4.25Å
338T96.3Very high93.8Very high15 Ų1539.6 Ų39.69%0.09219%0.185CC..Hα-helixtrans-64.5-43.4178.3-58.30000111.1V334 K335 L341 S342 V465 L466V334-T338 WeakPolarHBondContact O-CB 3.33Å; V334-T338 PolarHBondContact O-N 3.01Å; V334-T338 PolarHBondContact O-OG1 3.26Å; K335-T338 WeakPolarHBondContact O-CB 3.48Å; K335-T338 PolarHBondContact O-N 3.43Å; K335-T338 VanDerWaalsContact O-N 3.08Å; T338-L341 PolarHBondContact O-N 3.13Å; T338-S342 VanDerWaalsContact O-CB 3.27Å; T338-S342 WeakPolarHBondContact O-CB 3.37Å; T338-S342 PolarHBondContact O-N 2.99Å; T338-S342 PolarHBondContact O-OG 3.44Å; T338-V465 HydrophobicContact CG2-CG1 3.92Å; T338-L466 WeakPolarHBondContact OG1-CA 3.41Å; T338-L466 WeakPolarHBondContact OG1-CB 3.48Å
339D95.3Very high93.5Very high50 Ų5037 Ų3727%0.26718%0.18SC..Hα-helixtrans-64.7-43.5178.4-71.1-18.2000111.1K335 D336 S342 Y343K335-D339 PolarHBondContact O-N 3.01Å; D336-D339 PolarHBondContact O-N 3.46Å; D339-S342 PolarHBondContact O-N 2.94Å; D339-Y343 WeakPolarHBondContact O-CB 3.34Å; D339-Y343 PolarHBondContact O-N 2.89Å
340M95.9Very high93.1Very high1 Ų143.1 Ų43.11%0.00521%0.209CC..Hα-helixtrans-63.9-43.3176.1-74.4-174.4172.300112.9L290 T308 L311 L312 L315 D336 L337 Y343 C344L290-M340 HydrophobicContact CD1-CE 3.76Å; L290-M340 HydrophobicContact CD2-CE 3.9Å; L290-M340 HydrophobicContact CG-CE 4.44Å; T308-M340 HydrophobicContact CG2-CB 4.15Å; T308-M340 HydrophobicContact CG2-CG 4.27Å; L311-M340 HydrophobicContact CD2-CE 3.52Å; L311-M340 HydrophobicContact CD2-SD 4.48Å; L311-M340 HydrophobicContact CG-CE 4.03Å; L312-M340 HydrophobicContact CD1-CB 3.74Å; L312-M340 HydrophobicContact CD1-CG 4.45Å; L312-M340 HydrophobicContact CD1-SD 3.94Å; L315-M340 HydrophobicContact CD1-CE 4Å; L315-M340 HydrophobicContact CD1-SD 4.15Å; D336-M340 WeakPolarHBondContact O-CG 3.27Å; D336-M340 PolarHBondContact O-N 3.19Å; D336-M340 VanDerWaalsContact O-N 3.07Å; L337-M340 PolarHBondContact O-N 3.45Å; M340-Y343 PolarHBondContact O-N 3.44Å; M340-C344 PolarHBondContact O-N 3.16Å; M340-C344 PolarHBondContact O-SG 3.35Å
341L95.8Very high92.7Very high1 Ų146.4 Ų46.41%0.00522%0.222CC..Hα-helixtrans-65.6-43.6176.1-74.9166.7000111.3L312 L337 T338 Y343 C344 Q345 L466 T469 A470 T473 L474L312-L341 HydrophobicContact CD1-CG 4.49Å; L312-L341 HydrophobicContact CD2-CD2 3.57Å; L312-L341 HydrophobicContact CD2-CG 3.89Å; L337-L341 WeakPolarHBondContact O-CB 3.32Å; L337-L341 VanDerWaalsContact O-CG 3.31Å; L337-L341 WeakPolarHBondContact O-CG 3.41Å; L337-L341 PolarHBondContact O-N 2.88Å; T338-L341 PolarHBondContact O-N 3.13Å; L341-Y343 VanDerWaalsContact C-N 3.3Å; L341-Y343 PolarHBondContact O-N 3.41Å; L341-C344 WeakPolarHBondContact O-CB 3.35Å; L341-C344 PolarHBondContact O-N 3.35Å; L341-C344 VanDerWaalsContact O-N 3.09Å; L341-Q345 PolarHBondContact O-N 2.95Å; L341-L466 HydrophobicContact CD1-CD1 3.79Å; L341-T469 HydrophobicContact CB-CG2 3.73Å; L341-A470 HydrophobicContact CD1-CB 3.95Å; L341-T473 HydrophobicContact CD2-CG2 4.13Å; L341-T473 PolarHBondContact O-OG1 3.47Å; L341-L474 HydrophobicContact CD2-CD1 4.19Å; L341-L474 HydrophobicContact CD2-CD2 4.14Å; L341-L474 HydrophobicContact CD2-CG 4.16Å
342S94Very high92Very high26 Ų2649.1 Ų49.118%0.18223%0.23CC..Hα-helixtrans-60-40.1175.8-63.60000111.8T338 D339 Q345 R346T338-S342 VanDerWaalsContact O-CB 3.27Å; T338-S342 WeakPolarHBondContact O-CB 3.37Å; T338-S342 PolarHBondContact O-N 2.99Å; T338-S342 PolarHBondContact O-OG 3.44Å; D339-S342 PolarHBondContact O-N 2.94Å; S342-Q345 PolarHBondContact O-N 3.03Å; S342-R346 WeakPolarHBondContact O-CG 3.47Å; S342-R346 PolarHBondContact O-N 3.37Å
343Y94.9Very high91Very high39 Ų3948.3 Ų48.315%0.15323%0.233CC..Hα-helixtrans-61.1-47.8172.2174.9-91.2000111.6L297 C300 V301 T308 D339 M340 L341 Q345 R346 Y347L297-Y343 HydrophobicContact CD1-CD2 4.21Å; C300-Y343 HydrophobicContact CB-CD1 3.6Å; C300-Y343 HydrophobicContact CB-CD2 3.79Å; C300-Y343 HydrophobicContact CB-CE1 3.87Å; C300-Y343 HydrophobicContact CB-CE2 4.06Å; C300-Y343 HydrophobicContact CB-CG 3.57Å; C300-Y343 WeakPolarHBondContact O-CE1 3.35Å; C300-Y343 PolarHBondContact O-OH 3.22Å; V301-Y343 WeakPolarHBondContact CA-OH 3.37Å; V301-Y343 HydrophobicContact CG2-CE2 3.9Å; T308-Y343 HydrophobicContact CG2-CD1 4.36Å; D339-Y343 WeakPolarHBondContact O-CB 3.34Å; D339-Y343 PolarHBondContact O-N 2.89Å; M340-Y343 PolarHBondContact O-N 3.44Å; L341-Y343 VanDerWaalsContact C-N 3.3Å; L341-Y343 PolarHBondContact O-N 3.41Å; Y343-Q345 VanDerWaalsContact C-N 3.31Å; Y343-Q345 PolarHBondContact O-N 2.84Å; Y343-R346 PolarHBondContact O-N 2.89Å; Y343-Y347 HydrophobicContact CE1-CD2 4.32Å; Y343-Y347 WeakPolarHBondContact O-CB 3.48Å; Y343-Y347 PolarHBondContact O-N 3.24Å
344C93.1Very high89.5Confident1 Ų156.2 Ų56.21%0.00728%0.275CS..Hα-helixtrans-58.4-43.5178-67.40000111.6M340 L341 Y347 V348 L362 T473M340-C344 PolarHBondContact O-N 3.16Å; M340-C344 PolarHBondContact O-SG 3.35Å; L341-C344 WeakPolarHBondContact O-CB 3.35Å; L341-C344 PolarHBondContact O-N 3.35Å; L341-C344 VanDerWaalsContact O-N 3.09Å; C344-Y347 PolarHBondContact O-N 3.33Å; C344-V348 VanDerWaalsContact O-CG2 3.3Å; C344-V348 WeakPolarHBondContact O-CG2 3.2Å; C344-V348 PolarHBondContact O-N 3.47Å; C344-L362 HydrophobicContact CB-CD2 4.23Å; C344-T473 HydrophobicContact CB-CG2 3.9Å
345Q91.4Very high88.1Confident71 Ų7162.9 Ų62.933%0.33231%0.31SS..Hα-helixtrans-60.3-47.2176.7-166-173.51300111.9L341 S342 Y343 S349 T473L341-Q345 PolarHBondContact O-N 2.95Å; S342-Q345 PolarHBondContact O-N 3.03Å; Y343-Q345 VanDerWaalsContact C-N 3.31Å; Y343-Q345 PolarHBondContact O-N 2.84Å; Q345-S349 WeakPolarHBondContact O-CB 3.33Å; Q345-S349 PolarHBondContact O-N 2.84Å; Q345-S349 PolarHBondContact O-OG 3.25Å; Q345-T473 HydrophobicContact CB-CG2 4.28Å
346R91.2Very high87.2Confident171 Ų17160.9 Ų60.965%0.64531%0.305SS*.Hα-helixtrans-63.2-43.6177-71174.3-1741734.4111.4S342 Y343 S349 Q350S342-R346 WeakPolarHBondContact O-CG 3.47Å; S342-R346 PolarHBondContact O-N 3.37Å; Y343-R346 PolarHBondContact O-N 2.89Å; R346-S349 PolarHBondContact O-N 3.46Å; R346-Q350 WeakPolarHBondContact O-CB 3.42Å; R346-Q350 VanDerWaalsContact O-CG 3.29Å; R346-Q350 WeakPolarHBondContact O-CG 3.26Å; R346-Q350 PolarHBondContact O-N 2.95Å
347Y89.9Confident86.5Confident14 Ų1465.1 Ų65.16%0.05533%0.325CS..Hα-helixtrans-60-48.4178.7179.7-84.4000111.8E304 Y343 C344 S349 Q350 K351 F365E304-Y347 HydrophobicContact CB-CE2 3.73Å; E304-Y347 HydrophobicContact CG-CE2 4.26Å; E304-Y347 PolarHBondContact OE2-OH 2.91Å; Y343-Y347 HydrophobicContact CE1-CD2 4.32Å; Y343-Y347 WeakPolarHBondContact O-CB 3.48Å; Y343-Y347 PolarHBondContact O-N 3.24Å; C344-Y347 PolarHBondContact O-N 3.33Å; Y347-S349 VanDerWaalsContact C-N 3.34Å; Y347-S349 PolarHBondContact O-N 3.41Å; Y347-Q350 PolarHBondContact O-N 2.88Å; Y347-K351 HydrophobicContact CE1-CD 3.92Å; Y347-K351 HydrophobicContact CE2-CD 4.18Å; Y347-K351 VanDerWaalsContact CZ-NZ 3.34Å; Y347-K351 PolarHBondContact O-N 3.4Å; Y347-K351 PolarHBondContact OH-NZ 3.49Å; Y347-F365 HydrophobicContact CD1-CD2 4.48Å; Y347-F365 HydrophobicContact CD1-CE2 4.36Å; Y347-F365 AromaticContact CE1-CD2 3.98Å; Y347-F365 HydrophobicContact CE1-CD2 3.98Å; Y347-F365 AromaticContact CE1-CE2 3.7Å; Y347-F365 HydrophobicContact CE1-CE2 3.7Å
348V87.1Confident85.7Confident18 Ų1870.9 Ų70.911%0.10935%0.347CS..Hα-helixtrans-61.8-43.8176.9170.20000110.8C344 Q350 K351 L362 F365C344-V348 VanDerWaalsContact O-CG2 3.3Å; C344-V348 WeakPolarHBondContact O-CG2 3.2Å; C344-V348 PolarHBondContact O-N 3.47Å; V348-Q350 PolarHBondContact O-N 3.49Å; V348-K351 PolarHBondContact O-N 3.18Å; V348-L362 HydrophobicContact CG2-CB 4.04Å; V348-L362 HydrophobicContact CG2-CD1 4.3Å; V348-F365 HydrophobicContact CG1-CB 4.18Å; V348-F365 HydrophobicContact CG1-CD1 4.35Å; V348-F365 HydrophobicContact CG1-CG 4.49Å; V348-F365 HydrophobicContact CG2-CD1 3.96Å; V348-F365 HydrophobicContact CG2-CE1 4.26Å; V348-F365 HydrophobicContact CG2-CG 4.24Å
349S86.5Confident85Confident67 Ų6770.5 Ų70.547%0.46934%0.344SS..Hα-helixtrans-63.6-40-178.9-57.70000112.8Q345 R346 Y347Q345-S349 WeakPolarHBondContact O-CB 3.33Å; Q345-S349 PolarHBondContact O-N 2.84Å; Q345-S349 PolarHBondContact O-OG 3.25Å; R346-S349 PolarHBondContact O-N 3.46Å; Y347-S349 VanDerWaalsContact C-N 3.34Å; Y347-S349 PolarHBondContact O-N 3.41Å
350Q86.9Confident84.2Confident158 Ų15869.7 Ų69.774%0.73834%0.341SS*.Hα-helixtrans-73-25.2179.7-72.8174.3-100113.4R346 Y347 V348R346-Q350 WeakPolarHBondContact O-CB 3.42Å; R346-Q350 VanDerWaalsContact O-CG 3.29Å; R346-Q350 WeakPolarHBondContact O-CG 3.26Å; R346-Q350 PolarHBondContact O-N 2.95Å; Y347-Q350 PolarHBondContact O-N 2.88Å; V348-Q350 PolarHBondContact O-N 3.49Å
351K83.1Confident83.7Confident74 Ų7469.7 Ų69.732%0.32234%0.341SS..THydrogen-bonded Turntrans-101.218.7-176.4-67-160.8178.8-171.20114.2Y347 V348 S353 F365 S366Y347-K351 HydrophobicContact CE1-CD 3.92Å; Y347-K351 HydrophobicContact CE2-CD 4.18Å; Y347-K351 VanDerWaalsContact CZ-NZ 3.34Å; Y347-K351 PolarHBondContact O-N 3.4Å; Y347-K351 PolarHBondContact OH-NZ 3.49Å; V348-K351 PolarHBondContact O-N 3.18Å; K351-S353 PolarHBondContact O-N 3.48Å; K351-F365 HydrophobicContact CB-CB 4.46Å; K351-S366 WeakPolarHBondContact CD-O 3.39Å; K351-S366 WeakPolarHBondContact O-CB 3.21Å; K351-S366 PolarHBondContact O-N 3.42Å
352K77.9Confident83.2Confident152 Ų15270 Ų7066%0.66134%0.342SS*.  trans-68.7124.5171.7-69.3-173.3177.5179.50110.2
353S72.6Confident82.7Confident59 Ų5968.9 Ų68.941%0.41334%0.335SS..  trans-145.5164.5-177.4177.70000110.4K351 L355 T356K351-S353 PolarHBondContact O-N 3.48Å; S353-L355 PolarHBondContact O-N 3.48Å; S353-L355 PolarHBondContact OG-N 3.46Å; S353-T356 WeakPolarHBondContact O-CG2 3.37Å
354N65.8Low82Confident171 Ų17174 Ų7491%0.91436%0.355SS*.SBendtrans-64.9-18.4171.9-66-16.7000112.6
355L65Low81.5Confident141 Ų14174.1 Ų74.174%0.73836%0.355SS*.SBendtrans-105.374.2172.7-63.1171.8000109.2S353S353-L355 PolarHBondContact O-N 3.48Å; S353-L355 PolarHBondContact OG-N 3.46Å
356T77.8Confident80.9Confident46 Ų4673 Ų7328%0.28236%0.355SS..  trans-96.2145.9177.246.70000111.4S353 W364S353-T356 WeakPolarHBondContact O-CG2 3.37Å; T356-W364 HydrophobicContact CG2-CB 4.48Å
357H78.8Confident80.3Confident92 Ų9266.4 Ų66.443%0.42633%0.331SS..EExtended strand (participates in β ladder)trans-107.5145.4167.7-68.4-76.2000109.1W364 F365 Q367 V369H357-W364 WeakPolarHBondContact O-CA 3.48Å; H357-F365 PolarHBondContact N-O 2.85Å; H357-F365 PolarHBondContact O-N 3.31Å; H357-F365 VanDerWaalsContact O-N 3.11Å; H357-Q367 PolarHBondContact CD2-O 2.91Å; H357-V369 HydrophobicContact CB-CG2 4.21Å; H357-V369 VanDerWaalsContact ND1-CG2 3.25Å; H357-V369 WeakPolarHBondContact ND1-CG2 3.49Å
358W79.8Confident79.5Confident122 Ų12271.5 Ų71.546%0.46236%0.364SS..EExtended strand (participates in β ladder)trans-84.9127.6176.1-176.881000110.5P360 W364W358-P360 VanDerWaalsContact CH2-CA 3.42Å; W358-P360 HydrophobicContact CH2-CB 3.66Å; W358-P360 HydrophobicContact CZ2-CB 4.39Å; W358-P360 HydrophobicContact CZ3-CB 3.79Å; W358-W364 HydrophobicContact CB-CD2 3.92Å; W358-W364 HydrophobicContact CB-CE3 3.83Å; W358-W364 HydrophobicContact CB-CH2 3.71Å; W358-W364 HydrophobicContact CB-CZ2 3.78Å; W358-W364 HydrophobicContact CB-CZ3 3.74Å; W358-W364 AromaticContact CD1-CD1 3.94Å; W358-W364 AromaticContact CD1-CE2 3.55Å; W358-W364 AromaticContact CD1-CZ2 3.93Å; W358-W364 AromaticContact CD1-NE1 3.49Å; W358-W364 HydrophobicContact CG-CD2 4.41Å; W358-W364 HydrophobicContact CG-CZ2 4.13Å
359H82.3Confident78.8Confident7 Ų773.3 Ų73.33%0.03238%0.375CS..EExtended strand (participates in β ladder)trans-109134.7170.8-174.4-69.3000109.5V361 L362 G363 F365H359-V361 VanDerWaalsContact C-N 3.28Å; H359-V361 PolarHBondContact ND1-N 3.13Å; H359-V361 VanDerWaalsContact ND1-N 3.13Å; H359-V361 PolarHBondContact O-N 3.12Å; H359-L362 HydrophobicContact CB-CB 4.35Å; H359-L362 PolarHBondContact ND1-N 3.4Å; H359-G363 WeakPolarHBondContact CB-O 3.42Å; H359-G363 PolarHBondContact N-O 3.44Å; H359-G363 WeakPolarHBondContact O-CA 3.36Å; H359-G363 PolarHBondContact O-N 3.18Å; H359-F365 HydrophobicContact CB-CD1 4.47Å; H359-F365 HydrophobicContact CB-CE1 3.58Å; H359-F365 HydrophobicContact CB-CZ 4.24Å
360P79.4Confident78.4Confident33 Ų3373.2 Ų73.221%0.21437%0.369CS..THydrogen-bonded Turntrans-62.9-29.1-171.923-34.4000114.9W358 M377 Q476W358-P360 VanDerWaalsContact CH2-CA 3.42Å; W358-P360 HydrophobicContact CH2-CB 3.66Å; W358-P360 HydrophobicContact CZ2-CB 4.39Å; W358-P360 HydrophobicContact CZ3-CB 3.79Å; P360-M377 HydrophobicContact CG-CB 3.56Å; P360-M377 HydrophobicContact CG-CG 3.54Å; P360-Q476 WeakPolarHBondContact O-CB 3.17Å; P360-Q476 WeakPolarHBondContact O-CG 3.44Å
361V84.5Confident77.9Confident1 Ų174.6 Ų74.61%0.00637%0.369CS..THydrogen-bonded Turntrans-99.3-52.2177.7-174.90000113.2L309 H359 L384 L474 Q476 I477L309-V361 HydrophobicContact CD1-CG1 4.36Å; L309-V361 HydrophobicContact CD2-CB 3.74Å; L309-V361 HydrophobicContact CD2-CG1 3.79Å; L309-V361 HydrophobicContact CD2-CG2 4.09Å; H359-V361 VanDerWaalsContact C-N 3.28Å; H359-V361 PolarHBondContact ND1-N 3.13Å; H359-V361 VanDerWaalsContact ND1-N 3.13Å; H359-V361 PolarHBondContact O-N 3.12Å; V361-L384 HydrophobicContact CG1-CD1 4.19Å; V361-L474 HydrophobicContact CG1-CD2 3.58Å; V361-Q476 WeakPolarHBondContact O-CG 3.25Å; V361-I477 HydrophobicContact CG1-CD1 4.07Å
362L85.6Confident77.7Confident6 Ų672.1 Ų72.13%0.03136%0.364CS..THydrogen-bonded Turntrans-85.8-7.5-173.4-65.3176.3000114.9L309 C344 V348 H359 F365 T473 L474L309-L362 HydrophobicContact CD2-CG 4.34Å; C344-L362 HydrophobicContact CB-CD2 4.23Å; V348-L362 HydrophobicContact CG2-CB 4.04Å; V348-L362 HydrophobicContact CG2-CD1 4.3Å; H359-L362 HydrophobicContact CB-CB 4.35Å; H359-L362 PolarHBondContact ND1-N 3.4Å; L362-F365 HydrophobicContact CB-CD1 4.42Å; L362-F365 HydrophobicContact CB-CE1 3.76Å; L362-F365 HydrophobicContact CD1-CE1 4.29Å; L362-F365 HydrophobicContact CD1-CZ 4.31Å; L362-T473 HydrophobicContact CD2-CG2 4.1Å; L362-L474 HydrophobicContact CD2-CD2 4.24Å
363G84Confident77.9Confident3 Ų365.1 Ų65.13%0.03133%0.334CS..EExtended strand (participates in β ladder)trans77.4-149.1-179.700000113.7H359H359-G363 WeakPolarHBondContact CB-O 3.42Å; H359-G363 PolarHBondContact N-O 3.44Å; H359-G363 WeakPolarHBondContact O-CA 3.36Å; H359-G363 PolarHBondContact O-N 3.18Å
364W80.2Confident78.4Confident148 Ų14864.9 Ų64.956%0.56133%0.328SS*.EExtended strand (participates in β ladder)trans-87.6120.5-171.2-66.396.4000113.3T356 H357 W358T356-W364 HydrophobicContact CG2-CB 4.48Å; H357-W364 WeakPolarHBondContact O-CA 3.48Å; W358-W364 HydrophobicContact CB-CD2 3.92Å; W358-W364 HydrophobicContact CB-CE3 3.83Å; W358-W364 HydrophobicContact CB-CH2 3.71Å; W358-W364 HydrophobicContact CB-CZ2 3.78Å; W358-W364 HydrophobicContact CB-CZ3 3.74Å; W358-W364 AromaticContact CD1-CD1 3.94Å; W358-W364 AromaticContact CD1-CE2 3.55Å; W358-W364 AromaticContact CD1-CZ2 3.93Å; W358-W364 AromaticContact CD1-NE1 3.49Å; W358-W364 HydrophobicContact CG-CD2 4.41Å; W358-W364 HydrophobicContact CG-CZ2 4.13Å
365F82.8Confident79.4Confident3 Ų361.2 Ų61.21%0.01331%0.305CS..EExtended strand (participates in β ladder)trans-157.2166.1170.562.8-78.8000112.3Y347 V348 K351 H357 H359 L362 Q367Y347-F365 HydrophobicContact CD1-CD2 4.48Å; Y347-F365 HydrophobicContact CD1-CE2 4.36Å; Y347-F365 AromaticContact CE1-CD2 3.98Å; Y347-F365 HydrophobicContact CE1-CD2 3.98Å; Y347-F365 AromaticContact CE1-CE2 3.7Å; Y347-F365 HydrophobicContact CE1-CE2 3.7Å; V348-F365 HydrophobicContact CG1-CB 4.18Å; V348-F365 HydrophobicContact CG1-CD1 4.35Å; V348-F365 HydrophobicContact CG1-CG 4.49Å; V348-F365 HydrophobicContact CG2-CD1 3.96Å; V348-F365 HydrophobicContact CG2-CE1 4.26Å; V348-F365 HydrophobicContact CG2-CG 4.24Å; K351-F365 HydrophobicContact CB-CB 4.46Å; H357-F365 PolarHBondContact N-O 2.85Å; H357-F365 PolarHBondContact O-N 3.31Å; H357-F365 VanDerWaalsContact O-N 3.11Å; H359-F365 HydrophobicContact CB-CD1 4.47Å; H359-F365 HydrophobicContact CB-CE1 3.58Å; H359-F365 HydrophobicContact CB-CZ 4.24Å; L362-F365 HydrophobicContact CB-CD1 4.42Å; L362-F365 HydrophobicContact CB-CE1 3.76Å; L362-F365 HydrophobicContact CD1-CE1 4.29Å; L362-F365 HydrophobicContact CD1-CZ 4.31Å; F365-Q367 HydrophobicContact CD2-CB 3.95Å; F365-Q367 HydrophobicContact CE2-CB 3.55Å; F365-Q367 HydrophobicContact CE2-CG 4.22Å; F365-Q367 VanDerWaalsContact CE2-OE1 3.3Å; F365-Q367 HydrophobicContact CZ-CB 4.42Å; F365-Q367 PolarHBondContact O-N 3.2Å
366S77.8Confident80.5Confident47 Ų4754.5 Ų54.533%0.32927%0.27SS..  trans-80.5104.8179.9-176.60000111.4K351K351-S366 WeakPolarHBondContact CD-O 3.39Å; K351-S366 WeakPolarHBondContact O-CB 3.21Å; K351-S366 PolarHBondContact O-N 3.42Å
367Q77.7Confident81Confident33 Ų3352.4 Ų52.415%0.15426%0.257CS..  trans-152.2150.5173.8-170.9-177.935.400110.7S306 H357 F365 V369S306-Q367 PolarHBondContact OG-NE2 3.01Å; S306-Q367 PolarHBondContact OG-OE1 3.02Å; H357-Q367 PolarHBondContact CD2-O 2.91Å; F365-Q367 HydrophobicContact CD2-CB 3.95Å; F365-Q367 HydrophobicContact CE2-CB 3.55Å; F365-Q367 HydrophobicContact CE2-CG 4.22Å; F365-Q367 VanDerWaalsContact CE2-OE1 3.3Å; F365-Q367 HydrophobicContact CZ-CB 4.42Å; F365-Q367 PolarHBondContact O-N 3.2Å; Q367-V369 PolarHBondContact O-N 3.46Å
368T75.1Confident81.6Confident121 Ų12152.4 Ų52.474%0.74227%0.265SS*.  trans-61.1131.3170.9510000111.1D370T368-D370 PolarHBondContact O-N 3.12Å
369V71.1Confident82.1Confident56 Ų5648.5 Ų48.534%0.33925%0.254SS..  trans-68.7117.2178.1-1780000110.1H357 Q367 Y371H357-V369 HydrophobicContact CB-CG2 4.21Å; H357-V369 VanDerWaalsContact ND1-CG2 3.25Å; H357-V369 WeakPolarHBondContact ND1-CG2 3.49Å; Q367-V369 PolarHBondContact O-N 3.46Å; V369-Y371 HydrophobicContact CG1-CD1 4.14Å; V369-Y371 HydrophobicContact CG1-CD2 4.25Å; V369-Y371 HydrophobicContact CG1-CE1 3.97Å; V369-Y371 HydrophobicContact CG1-CE2 4.08Å; V369-Y371 HydrophobicContact CG1-CG 4.29Å
370D78.8Confident82.6Confident65 Ų6548.2 Ų48.235%0.34825%0.252SS..  trans-101.4104.6165.8-173.7-25.8000109T368 G372 L373 N374T368-D370 PolarHBondContact O-N 3.12Å; D370-G372 VanDerWaalsContact C-N 3.34Å; D370-G372 PolarHBondContact O-N 3.04Å; D370-G372 PolarHBondContact OD1-N 3.19Å; D370-L373 HydrophobicContact CB-CB 3.74Å; D370-L373 HydrophobicContact CB-CD2 4.42Å; D370-L373 PolarHBondContact O-N 3.19Å; D370-L373 PolarHBondContact OD1-N 3.43Å; D370-N374 PolarHBondContact O-N 3.49Å
371Y75.7Confident83.2Confident187 Ų18747.6 Ų47.673%0.73325%0.248SC*.Hα-helixtrans-64.8-35.3-177.8-68.5-80.7000113V369 N374 E375V369-Y371 HydrophobicContact CG1-CD1 4.14Å; V369-Y371 HydrophobicContact CG1-CD2 4.25Å; V369-Y371 HydrophobicContact CG1-CE1 3.97Å; V369-Y371 HydrophobicContact CG1-CE2 4.08Å; V369-Y371 HydrophobicContact CG1-CG 4.29Å; Y371-N374 PolarHBondContact O-N 3Å; Y371-E375 PolarHBondContact O-N 3.26Å; Y371-E375 VanDerWaalsContact O-N 3.08Å
372G78.4Confident83.5Confident21 Ų2153.5 Ų53.522%0.21627%0.274CS..Hα-helixtrans-70.8-4117900000111.2A217 D370 N374 E375 S376A217-G372 CarbonylContact C-O 3.52Å; A217-G372 VanDerWaalsContact C-O 3.28Å; A217-G372 CarbonylContact O-C 3.04Å; A217-G372 WeakPolarHBondContact O-CA 3.23Å; D370-G372 VanDerWaalsContact C-N 3.34Å; D370-G372 PolarHBondContact O-N 3.04Å; D370-G372 PolarHBondContact OD1-N 3.19Å; G372-N374 PolarHBondContact O-N 3.35Å; G372-E375 PolarHBondContact O-N 2.7Å; G372-S376 PolarHBondContact O-N 3.28Å
373L82.3Confident84Confident5 Ų553.3 Ų53.33%0.02627%0.272CS..Hα-helixtrans-57.9-50.6173.2-174.262000110.8P260 D370 E375 S376 M377P260-L373 HydrophobicContact CB-CD1 4.32Å; P260-L373 HydrophobicContact CG-CD1 3.45Å; P260-L373 VanDerWaalsContact CG-CD1 3.45Å; D370-L373 HydrophobicContact CB-CB 3.74Å; D370-L373 HydrophobicContact CB-CD2 4.42Å; D370-L373 PolarHBondContact O-N 3.19Å; D370-L373 PolarHBondContact OD1-N 3.43Å; L373-E375 VanDerWaalsContact C-N 3.32Å; L373-E375 PolarHBondContact O-N 3.18Å; L373-S376 PolarHBondContact O-N 2.97Å; L373-S376 PolarHBondContact O-OG 2.94Å; L373-M377 HydrophobicContact CD1-CE 3.42Å; L373-M377 VanDerWaalsContact CD1-CE 3.42Å; L373-M377 HydrophobicContact CG-CE 3.78Å; L373-M377 VanDerWaalsContact O-CE 3.28Å; L373-M377 WeakPolarHBondContact O-CE 3.47Å; L373-M377 WeakPolarHBondContact O-CG 3.45Å; L373-M377 PolarHBondContact O-N 3.42Å
374N84.3Confident84.5Confident55 Ų5553.2 Ų53.229%0.29427%0.271SS..Hα-helixtrans-57.8-39.8178.2-77.7-16.8000113.3D370 Y371 G372 S376 M377D370-N374 PolarHBondContact O-N 3.49Å; Y371-N374 PolarHBondContact O-N 3Å; G372-N374 PolarHBondContact O-N 3.35Å; N374-S376 VanDerWaalsContact C-N 3.27Å; N374-S376 PolarHBondContact O-N 3.01Å; N374-M377 WeakPolarHBondContact O-CB 3.34Å; N374-M377 PolarHBondContact O-N 2.97Å
375E85.5Confident85.2Confident93 Ų9349.6 Ų49.644%0.43526%0.26SS..Hα-helixtrans-65.4-30.8177.2-159.4-164.815000112.5S219 Y371 G372 L373 P378S219-E375 WeakPolarHBondContact CB-OE1 3.43Å; S219-E375 PolarHBondContact N-OE1 2.83Å; S219-E375 PolarHBondContact OG-OE1 2.83Å; Y371-E375 PolarHBondContact O-N 3.26Å; Y371-E375 VanDerWaalsContact O-N 3.08Å; G372-E375 PolarHBondContact O-N 2.7Å; L373-E375 VanDerWaalsContact C-N 3.32Å; L373-E375 PolarHBondContact O-N 3.18Å; E375-P378 WeakPolarHBondContact O-CD 3.37Å
376S88.3Confident85.8Confident0 Ų051.2 Ų51.20%027%0.268CS..Hα-helixtrans-83.2-10.3177.570.30000114.6P260 G372 L373 N374 P378 L379 V380P260-S376 WeakPolarHBondContact CB-OG 3.4Å; G372-S376 PolarHBondContact O-N 3.28Å; L373-S376 PolarHBondContact O-N 2.97Å; L373-S376 PolarHBondContact O-OG 2.94Å; N374-S376 VanDerWaalsContact C-N 3.27Å; N374-S376 PolarHBondContact O-N 3.01Å; S376-P378 VanDerWaalsContact C-CD 3.41Å; S376-L379 WeakPolarHBondContact O-CB 3.44Å; S376-L379 PolarHBondContact O-N 2.7Å; S376-V380 PolarHBondContact O-N 3.44Å
377M89.4Confident86.6Confident2 Ų249.1 Ų49.11%0.0125%0.253CS..Hα-helixtrans-59.3-32.9-176.6-71.6-61.8101.900115.6P360 L373 N374 L379 V380 T381P360-M377 HydrophobicContact CG-CB 3.56Å; P360-M377 HydrophobicContact CG-CG 3.54Å; L373-M377 HydrophobicContact CD1-CE 3.42Å; L373-M377 VanDerWaalsContact CD1-CE 3.42Å; L373-M377 HydrophobicContact CG-CE 3.78Å; L373-M377 VanDerWaalsContact O-CE 3.28Å; L373-M377 WeakPolarHBondContact O-CE 3.47Å; L373-M377 WeakPolarHBondContact O-CG 3.45Å; L373-M377 PolarHBondContact O-N 3.42Å; N374-M377 WeakPolarHBondContact O-CB 3.34Å; N374-M377 PolarHBondContact O-N 2.97Å; M377-L379 VanDerWaalsContact C-N 3.25Å; M377-L379 PolarHBondContact O-N 3.48Å; M377-V380 HydrophobicContact CE-CB 4.17Å; M377-V380 HydrophobicContact CE-CG2 3.75Å; M377-V380 PolarHBondContact O-N 3.28Å; M377-V380 HydrophobicContact SD-CB 4.48Å; M377-T381 WeakPolarHBondContact O-CB 3.48Å; M377-T381 PolarHBondContact O-N 3.23Å; M377-T381 PolarHBondContact O-OG1 2.9Å
378P90.1Very high87.4Confident92 Ų9248.2 Ų48.260%0.59725%0.248SC*.Hα-helixtrans-58.3-38172.4-26.236.4000112.8E375 S376 T381 K382E375-P378 WeakPolarHBondContact O-CD 3.37Å; S376-P378 VanDerWaalsContact C-CD 3.41Å; P378-T381 PolarHBondContact O-N 3.42Å; P378-K382 PolarHBondContact O-N 3.44Å
379L91.2Very high88.1Confident41 Ų4143.5 Ų43.522%0.21522%0.223CC..Hα-helixtrans-69.7-44177-62.3174000111.2A261 S376 M377 T381 K382 Q383A261-L379 HydrophobicContact CB-CB 3.6Å; A261-L379 HydrophobicContact CB-CD1 4.11Å; S376-L379 WeakPolarHBondContact O-CB 3.44Å; S376-L379 PolarHBondContact O-N 2.7Å; M377-L379 VanDerWaalsContact C-N 3.25Å; M377-L379 PolarHBondContact O-N 3.48Å; L379-T381 VanDerWaalsContact C-N 3.31Å; L379-T381 PolarHBondContact O-N 2.95Å; L379-K382 WeakPolarHBondContact O-CB 3.41Å; L379-K382 PolarHBondContact O-N 3.2Å; L379-Q383 WeakPolarHBondContact O-CG 3.42Å; L379-Q383 PolarHBondContact O-N 3.41Å
380V92.4Very high89Confident0 Ų043.6 Ų43.60%022%0.224CC..Hα-helixtrans-62.5-40.8175.8179.60000110.7P260 L309 S376 M377 K382 Q383 L384P260-V380 HydrophobicContact CB-CG2 4.19Å; L309-V380 HydrophobicContact CG-CG1 4.39Å; S376-V380 PolarHBondContact O-N 3.44Å; M377-V380 HydrophobicContact CE-CB 4.17Å; M377-V380 HydrophobicContact CE-CG2 3.75Å; M377-V380 PolarHBondContact O-N 3.28Å; M377-V380 HydrophobicContact SD-CB 4.48Å; V380-K382 VanDerWaalsContact C-N 3.33Å; V380-K382 PolarHBondContact O-N 3Å; V380-Q383 WeakPolarHBondContact O-CA 3.35Å; V380-Q383 WeakPolarHBondContact O-CB 3.44Å; V380-Q383 PolarHBondContact O-N 2.87Å; V380-L384 WeakPolarHBondContact O-CG 3.34Å; V380-L384 PolarHBondContact O-N 2.69Å
381T91.9Very high89.4Confident20 Ų2041.8 Ų41.812%0.12322%0.216CC..Hα-helixtrans-61.2-42.6176-55.40000111M377 P378 L379 Q383 L384 Q385 I477M377-T381 WeakPolarHBondContact O-CB 3.48Å; M377-T381 PolarHBondContact O-N 3.23Å; M377-T381 PolarHBondContact O-OG1 2.9Å; P378-T381 PolarHBondContact O-N 3.42Å; L379-T381 VanDerWaalsContact C-N 3.31Å; L379-T381 PolarHBondContact O-N 2.95Å; T381-Q383 VanDerWaalsContact C-N 3.29Å; T381-Q383 PolarHBondContact O-N 2.92Å; T381-L384 PolarHBondContact O-N 2.85Å; T381-Q385 WeakPolarHBondContact O-CG 3.37Å; T381-Q385 PolarHBondContact O-N 3.41Å; T381-I477 HydrophobicContact CG2-CD1 4.31Å; T381-I477 HydrophobicContact CG2-CG2 4.17Å
382K91.6Very high90.2Very high126 Ų12633 Ų3355%0.54818%0.182SC..Hα-helixtrans-61.3-36.5173.3-171.4175.6-178.3175.70112.4P378 L379 V380 Q385P378-K382 PolarHBondContact O-N 3.44Å; L379-K382 WeakPolarHBondContact O-CB 3.41Å; L379-K382 PolarHBondContact O-N 3.2Å; V380-K382 VanDerWaalsContact C-N 3.33Å; V380-K382 PolarHBondContact O-N 3Å; K382-Q385 WeakPolarHBondContact O-CB 3.39Å; K382-Q385 PolarHBondContact O-N 3.4Å
383Q95.1Very high90.9Very high1 Ų132 Ų321%0.00517%0.172CC..Hα-helixtrans-66.1-43.7174.2-67.3178.3-69.400112.3A261 G313 N314 I316 H317 L379 V380 T381 Q385 H386A261-Q383 VanDerWaalsContact CA-OE1 3.28Å; G313-Q383 WeakPolarHBondContact O-CB 3.21Å; N314-Q383 PolarHBondContact OD1-NE2 3.45Å; I316-Q383 VanDerWaalsContact CG2-O 3.29Å; I316-Q383 WeakPolarHBondContact CG2-O 3.33Å; H317-Q383 HydrophobicContact CB-CB 4.31Å; H317-Q383 HydrophobicContact CB-CG 4.14Å; L379-Q383 WeakPolarHBondContact O-CG 3.42Å; L379-Q383 PolarHBondContact O-N 3.41Å; V380-Q383 WeakPolarHBondContact O-CA 3.35Å; V380-Q383 WeakPolarHBondContact O-CB 3.44Å; V380-Q383 PolarHBondContact O-N 2.87Å; T381-Q383 VanDerWaalsContact C-N 3.29Å; T381-Q383 PolarHBondContact O-N 2.92Å; Q383-Q385 VanDerWaalsContact C-N 3.25Å; Q383-Q385 PolarHBondContact O-N 3.04Å; Q383-H386 WeakPolarHBondContact O-CB 3.28Å; Q383-H386 PolarHBondContact O-N 3.05Å
384L95.3Very high91.3Very high1 Ų137.9 Ų37.91%0.00519%0.194CC..Hα-helixtrans-61-36.6175.8-63.1174.1000111.4L309 L312 I316 V361 V380 T381 H386 L387 W388 I477L309-L384 HydrophobicContact CD1-CD1 3.8Å; L309-L384 HydrophobicContact CD1-CD2 4.35Å; L309-L384 HydrophobicContact CG-CD1 4.25Å; L312-L384 HydrophobicContact CD2-CD2 3.81Å; L312-L384 HydrophobicContact CG-CD2 4.23Å; I316-L384 HydrophobicContact CD1-CD2 3.76Å; V361-L384 HydrophobicContact CG1-CD1 4.19Å; V380-L384 WeakPolarHBondContact O-CG 3.34Å; V380-L384 PolarHBondContact O-N 2.69Å; T381-L384 PolarHBondContact O-N 2.85Å; L384-H386 PolarHBondContact O-N 3.06Å; L384-H386 VanDerWaalsContact O-N 3.12Å; L384-L387 WeakPolarHBondContact O-CB 3.25Å; L384-L387 PolarHBondContact O-N 3.1Å; L384-W388 HydrophobicContact CB-CH2 3.88Å; L384-W388 HydrophobicContact CB-CZ3 4.2Å; L384-W388 WeakPolarHBondContact O-CZ3 3.5Å; L384-I477 HydrophobicContact CD1-CD1 4.43Å
385Q93.9Very high91.6Very high72 Ų7236.2 Ų36.234%0.33619%0.186SC..Hα-helixtrans-56.8-26.7177.4-74.8170.1-4.500114.1T381 K382 Q383 L387 W388 G389T381-Q385 WeakPolarHBondContact O-CG 3.37Å; T381-Q385 PolarHBondContact O-N 3.41Å; K382-Q385 WeakPolarHBondContact O-CB 3.39Å; K382-Q385 PolarHBondContact O-N 3.4Å; Q383-Q385 VanDerWaalsContact C-N 3.25Å; Q383-Q385 PolarHBondContact O-N 3.04Å; Q385-L387 PolarHBondContact O-N 2.74Å; Q385-W388 VanDerWaalsContact CA-CE2 3.47Å; Q385-W388 VanDerWaalsContact CA-CZ2 3.47Å; Q385-W388 HydrophobicContact CB-CZ2 4.04Å; Q385-W388 HydrophobicContact CG-CH2 4.43Å; Q385-W388 HydrophobicContact CG-CZ2 3.51Å; Q385-W388 CarbonylContact O-C 3.28Å; Q385-W388 PolarHBondContact O-N 3.37Å; Q385-G389 PolarHBondContact O-N 3.08Å
386H95.1Very high91.9Very high37 Ų3731.9 Ų31.917%0.17117%0.165CC..G310 helixtrans-63-24.7174.5-65.9-58000113I316 H317 Y320 Q383 L384 W388 G389 V392I316-H386 HydrophobicContact CG2-CB 3.99Å; H317-H386 AromaticContact CD2-CD2 3.99Å; Y320-H386 AromaticContact CD1-CE1 3.9Å; Y320-H386 AromaticContact CD1-ND1 3.74Å; Y320-H386 HydrophobicContact CD2-CB 4.41Å; Y320-H386 AromaticContact CE1-CE1 3.77Å; Y320-H386 AromaticContact CE1-ND1 3.82Å; Y320-H386 HydrophobicContact CG-CB 4.08Å; Y320-H386 AromaticContact CG-CG 3.98Å; Y320-H386 AromaticContact CG-ND1 3.9Å; Q383-H386 WeakPolarHBondContact O-CB 3.28Å; Q383-H386 PolarHBondContact O-N 3.05Å; L384-H386 PolarHBondContact O-N 3.06Å; L384-H386 VanDerWaalsContact O-N 3.12Å; H386-W388 VanDerWaalsContact C-N 3.31Å; H386-W388 PolarHBondContact O-N 3.41Å; H386-G389 PolarHBondContact O-N 3.46Å; H386-G389 VanDerWaalsContact O-N 3.1Å; H386-V392 WeakPolarHBondContact O-CB 3.43Å; H386-V392 WeakPolarHBondContact O-CG2 3.42Å
387L95.3Very high92Very high3 Ų332 Ų322%0.01617%0.166CC..G310 helixtrans-64-35.1178.5-179.460.9000112.8I316 L337 L384 Q385 V392 L466 Y467I316-L387 HydrophobicContact CD1-CB 4.1Å; I316-L387 HydrophobicContact CD1-CD2 4.08Å; I316-L387 HydrophobicContact CG1-CB 4.44Å; I316-L387 HydrophobicContact CG2-CB 3.86Å; L337-L387 HydrophobicContact CD1-CD1 3.87Å; L384-L387 WeakPolarHBondContact O-CB 3.25Å; L384-L387 PolarHBondContact O-N 3.1Å; Q385-L387 PolarHBondContact O-N 2.74Å; L387-V392 HydrophobicContact CD1-CG1 4.32Å; L387-L466 HydrophobicContact CD1-CD2 4.14Å; L387-Y467 HydrophobicContact CG-CE1 3.99Å; L387-Y467 PolarHBondContact O-OH 2.93Å
388W94Very high91.9Very high15 Ų1533.3 Ų33.36%0.05718%0.176CC..G310 helixtrans-106.124.1173.655.182000111.7L384 Q385 H386 I393 Y467 I477 Q480 I481 G484 L485L384-W388 HydrophobicContact CB-CH2 3.88Å; L384-W388 HydrophobicContact CB-CZ3 4.2Å; L384-W388 WeakPolarHBondContact O-CZ3 3.5Å; Q385-W388 VanDerWaalsContact CA-CE2 3.47Å; Q385-W388 VanDerWaalsContact CA-CZ2 3.47Å; Q385-W388 HydrophobicContact CB-CZ2 4.04Å; Q385-W388 HydrophobicContact CG-CH2 4.43Å; Q385-W388 HydrophobicContact CG-CZ2 3.51Å; Q385-W388 CarbonylContact O-C 3.28Å; Q385-W388 PolarHBondContact O-N 3.37Å; H386-W388 VanDerWaalsContact C-N 3.31Å; H386-W388 PolarHBondContact O-N 3.41Å; W388-I393 HydrophobicContact CB-CD1 4.41Å; W388-I393 WeakPolarHBondContact O-CD1 3.41Å; W388-Y467 HydrophobicContact CB-CE1 4.32Å; W388-I477 HydrophobicContact CH2-CD1 3.83Å; W388-I477 HydrophobicContact CZ2-CD1 4.37Å; W388-Q480 HydrophobicContact CZ2-CB 4.42Å; W388-Q480 PolarHBondContact NE1-O 3.37Å; W388-I481 HydrophobicContact CD2-CB 4.34Å; W388-I481 HydrophobicContact CD2-CG1 3.99Å; W388-I481 HydrophobicContact CD2-CG2 4.44Å; W388-I481 HydrophobicContact CE3-CB 4.41Å; W388-I481 HydrophobicContact CE3-CG1 3.78Å; W388-I481 HydrophobicContact CE3-CG2 4.3Å; W388-I481 HydrophobicContact CH2-CD1 4.37Å; W388-I481 HydrophobicContact CH2-CG1 3.74Å; W388-I481 HydrophobicContact CZ2-CG1 3.91Å; W388-I481 HydrophobicContact CZ3-CD1 4.16Å; W388-I481 HydrophobicContact CZ3-CG1 3.68Å; W388-G484 CarbonylContact O-C 3.56Å; W388-L485 HydrophobicContact CB-CG 4.46Å
389G90.4Very high91.4Very high21 Ų2131.1 Ų31.122%0.21616%0.159CC..SBendtrans-79.2151.8169.200000111.5Q385 H386 S391 V392 I393Q385-G389 PolarHBondContact O-N 3.08Å; H386-G389 PolarHBondContact O-N 3.46Å; H386-G389 VanDerWaalsContact O-N 3.1Å; G389-S391 VanDerWaalsContact C-N 3.29Å; G389-S391 PolarHBondContact O-N 3.23Å; G389-V392 PolarHBondContact O-N 3.36Å; G389-I393 WeakPolarHBondContact O-CG1 3.49Å; G389-I393 PolarHBondContact O-N 2.85Å
390V89.1Confident90.9Very high58 Ų5829.3 Ų29.335%0.35215%0.149SC..Hα-helixtrans-52.1-42.7-176.3173.80000113R394 L488V390-R394 HydrophobicContact CG1-CG 4.46Å; V390-R394 WeakPolarHBondContact O-CB 3.46Å; V390-R394 VanDerWaalsContact O-CG 3.23Å; V390-R394 WeakPolarHBondContact O-CG 3.45Å; V390-R394 PolarHBondContact O-N 2.98Å; V390-L488 HydrophobicContact CG1-CD1 4.22Å
391S88.8Confident90.4Very high27 Ų2730.3 Ų30.319%0.18915%0.154CC..Hα-helixtrans-63.6-53.2-179.7144.70000111.8E323 G389 I393 R394 T395E323-S391 WeakPolarHBondContact OE1-CB 3.46Å; E323-S391 PolarHBondContact OE1-OG 2.96Å; G389-S391 VanDerWaalsContact C-N 3.29Å; G389-S391 PolarHBondContact O-N 3.23Å; S391-I393 PolarHBondContact O-N 3.33Å; S391-R394 PolarHBondContact O-N 2.88Å; S391-R394 VanDerWaalsContact O-N 3.16Å; S391-T395 PolarHBondContact O-N 2.71Å; S391-T395 PolarHBondContact O-OG1 2.87Å; S391-T395 VanDerWaalsContact O-OG1 3.13Å
392V92.1Very high89.5Confident3 Ų333.9 Ų33.92%0.01818%0.18CC..Hα-helixtrans-63-42.3179.8175.30000111.6Y320 L326 H386 L387 G389 R394 T395 L396Y320-V392 HydrophobicContact CD2-CG2 4.15Å; L326-V392 HydrophobicContact CD2-CG1 4.28Å; L326-V392 HydrophobicContact CD2-CG2 4.23Å; H386-V392 WeakPolarHBondContact O-CB 3.43Å; H386-V392 WeakPolarHBondContact O-CG2 3.42Å; L387-V392 HydrophobicContact CD1-CG1 4.32Å; G389-V392 PolarHBondContact O-N 3.36Å; V392-R394 VanDerWaalsContact C-N 3.33Å; V392-R394 PolarHBondContact O-N 2.96Å; V392-T395 PolarHBondContact O-N 2.88Å; V392-L396 HydrophobicContact CG1-CD1 3.8Å; V392-L396 HydrophobicContact CG1-CG 4.1Å; V392-L396 WeakPolarHBondContact O-CB 3.39Å; V392-L396 WeakPolarHBondContact O-CG 3.4Å; V392-L396 PolarHBondContact O-N 2.95Å
393I92.1Very high88.1Confident0 Ų031.3 Ų31.30%017%0.169CC..Hα-helixtrans-59.2-45.2175.9-68.8170.7000110.5W388 G389 S391 T395 L396 F397 L485 L488 L491W388-I393 HydrophobicContact CB-CD1 4.41Å; W388-I393 WeakPolarHBondContact O-CD1 3.41Å; G389-I393 WeakPolarHBondContact O-CG1 3.49Å; G389-I393 PolarHBondContact O-N 2.85Å; S391-I393 PolarHBondContact O-N 3.33Å; I393-T395 VanDerWaalsContact C-N 3.34Å; I393-T395 PolarHBondContact O-N 3.44Å; I393-L396 PolarHBondContact O-N 3.43Å; I393-F397 HydrophobicContact CG2-CD2 4.06Å; I393-F397 WeakPolarHBondContact O-CB 3.3Å; I393-F397 PolarHBondContact O-N 2.88Å; I393-L485 HydrophobicContact CD1-CD2 3.93Å; I393-L485 HydrophobicContact CG1-CD2 4.29Å; I393-L488 HydrophobicContact CG2-CD1 4.24Å; I393-L491 HydrophobicContact CG2-CD1 4.46Å; I393-L491 HydrophobicContact CG2-CD2 3.87Å
394R90.9Very high86Confident129 Ų12940.3 Ų40.349%0.48721%0.208SC..Hα-helixtrans-62.4-40.1178.4-77179.5-175.7-77.3-1.3112.3V390 S391 V392 S398 L401 L488V390-R394 HydrophobicContact CG1-CG 4.46Å; V390-R394 WeakPolarHBondContact O-CB 3.46Å; V390-R394 VanDerWaalsContact O-CG 3.23Å; V390-R394 WeakPolarHBondContact O-CG 3.45Å; V390-R394 PolarHBondContact O-N 2.98Å; S391-R394 PolarHBondContact O-N 2.88Å; S391-R394 VanDerWaalsContact O-N 3.16Å; V392-R394 VanDerWaalsContact C-N 3.33Å; V392-R394 PolarHBondContact O-N 2.96Å; R394-S398 WeakPolarHBondContact O-CA 2.88Å; R394-S398 PolarHBondContact O-N 3.05Å; R394-L401 HydrophobicContact CB-CD1 4.43Å; R394-L401 HydrophobicContact CG-CD1 4.11Å; R394-L488 HydrophobicContact CG-CD1 3.61Å
395T90.4Very high83.8Confident20 Ų2044.9 Ų44.912%0.12323%0.232CC..Hα-helixtrans-68.2-46.1176.9-53.80000111.8L326 E327 S391 V392 I393L326-T395 HydrophobicContact CB-CG2 4.46Å; L326-T395 HydrophobicContact CD2-CG2 4.16Å; L326-T395 HydrophobicContact CG-CG2 4.03Å; E327-T395 HydrophobicContact CB-CG2 3.88Å; E327-T395 HydrophobicContact CG-CG2 4.44Å; S391-T395 PolarHBondContact O-N 2.71Å; S391-T395 PolarHBondContact O-OG1 2.87Å; S391-T395 VanDerWaalsContact O-OG1 3.13Å; V392-T395 PolarHBondContact O-N 2.88Å; I393-T395 VanDerWaalsContact C-N 3.34Å; I393-T395 PolarHBondContact O-N 3.44Å
396L91.9Very high81.1Confident1 Ų149.8 Ų49.81%0.00526%0.255CS..Hα-helixtrans-69.3-46-178.2-66.4-178000111.8L326 A330 V334 V392 I393 S398 I463L326-L396 HydrophobicContact CD1-CD2 4.38Å; A330-L396 HydrophobicContact CB-CD2 4.19Å; V334-L396 HydrophobicContact CG2-CD1 4.41Å; V334-L396 HydrophobicContact CG2-CD2 3.84Å; V392-L396 HydrophobicContact CG1-CD1 3.8Å; V392-L396 HydrophobicContact CG1-CG 4.1Å; V392-L396 WeakPolarHBondContact O-CB 3.39Å; V392-L396 WeakPolarHBondContact O-CG 3.4Å; V392-L396 PolarHBondContact O-N 2.95Å; I393-L396 PolarHBondContact O-N 3.43Å; L396-S398 VanDerWaalsContact C-N 3.3Å; L396-S398 PolarHBondContact O-N 3.34Å; L396-I463 HydrophobicContact CB-CD1 4.08Å; L396-I463 HydrophobicContact CB-CG1 4.38Å; L396-I463 HydrophobicContact CB-CG2 4.26Å; L396-I463 WeakPolarHBondContact O-CD1 3.24Å
397F90.6Very high78.1Confident2 Ų253 Ų531%0.00928%0.282CS..THydrogen-bonded Turntrans-90.323.9179.6-73.3-79.4000113.9I393 D399 V400 L401 V460 I463 Y467 L491I393-F397 HydrophobicContact CG2-CD2 4.06Å; I393-F397 WeakPolarHBondContact O-CB 3.3Å; I393-F397 PolarHBondContact O-N 2.88Å; F397-D399 PolarHBondContact O-N 2.93Å; F397-D399 VanDerWaalsContact O-N 3.11Å; F397-V400 HydrophobicContact CD1-CB 4.45Å; F397-V400 HydrophobicContact CD1-CG2 4.13Å; F397-V400 PolarHBondContact O-N 3.31Å; F397-L401 HydrophobicContact CB-CD1 4.01Å; F397-L401 HydrophobicContact CB-CG 4.15Å; F397-L401 WeakPolarHBondContact O-CB 3.04Å; F397-L401 WeakPolarHBondContact O-CG 3.17Å; F397-L401 PolarHBondContact O-N 2.83Å; F397-V460 HydrophobicContact CE1-CG1 4.28Å; F397-I463 HydrophobicContact CD2-CG2 4.08Å; F397-I463 HydrophobicContact CE1-CB 4.43Å; F397-I463 HydrophobicContact CE1-CG2 3.96Å; F397-I463 HydrophobicContact CE2-CG2 3.46Å; F397-I463 VanDerWaalsContact CE2-CG2 3.46Å; F397-I463 HydrophobicContact CZ-CB 4.26Å; F397-I463 HydrophobicContact CZ-CG2 3.39Å; F397-Y467 HydrophobicContact CE2-CD2 4.16Å; F397-Y467 AromaticContact CE2-CE2 3.7Å; F397-Y467 HydrophobicContact CE2-CE2 3.7Å; F397-Y467 HydrophobicContact CZ-CD2 4.41Å; F397-Y467 HydrophobicContact CZ-CE2 4.36Å; F397-L491 HydrophobicContact CB-CD1 3.95Å; F397-L491 HydrophobicContact CD1-CD1 4.17Å; F397-L491 HydrophobicContact CD2-CD1 3.95Å; F397-L491 HydrophobicContact CE2-CD1 4.43Å; F397-L491 HydrophobicContact CE2-CD2 4.49Å; F397-L491 HydrophobicContact CG-CD1 3.78Å
398S87.1Confident75.2Confident31 Ų3161.8 Ų61.822%0.21732%0.323CS..Hα-helixtrans-50-40.2-179.5630000113.1R394 L396 V400 L401 S402R394-S398 WeakPolarHBondContact O-CA 2.88Å; R394-S398 PolarHBondContact O-N 3.05Å; L396-S398 VanDerWaalsContact C-N 3.3Å; L396-S398 PolarHBondContact O-N 3.34Å; S398-V400 VanDerWaalsContact C-N 3.35Å; S398-V400 PolarHBondContact O-N 3.38Å; S398-L401 PolarHBondContact O-N 2.89Å; S398-S402 WeakPolarHBondContact O-CB 3.29Å; S398-S402 PolarHBondContact O-N 3.21Å; S398-S402 PolarHBondContact O-OG 3.21Å
399D80.9Confident72Confident46 Ų4670 Ų7025%0.24636%0.362CS..Hα-helixtrans-69.9-31.8-177-55.5-34.4000112.4F397 E456 K459F397-D399 PolarHBondContact O-N 2.93Å; F397-D399 VanDerWaalsContact O-N 3.11Å; D399-E456 HydrophobicContact CB-CG 3.79Å; D399-K459 IonicContact OD1-NZ 3.66Å; D399-K459 VanDerWaalsContact OD2-CD 3.28Å; D399-K459 WeakPolarHBondContact OD2-CD 3.42Å; D399-K459 WeakPolarHBondContact OD2-CE 3.5Å; D399-K459 IonicContact OD2-NZ 2.88Å; D399-K459 PolarHBondContact OD2-NZ 2.96Å
400V80.6Confident69.1Low2 Ų274.5 Ų74.51%0.01239%0.39CS..Hα-helixtrans-81.5-42.6176.2178.30000110.6F397 S398 V460 K494 F498F397-V400 HydrophobicContact CD1-CB 4.45Å; F397-V400 HydrophobicContact CD1-CG2 4.13Å; F397-V400 PolarHBondContact O-N 3.31Å; S398-V400 VanDerWaalsContact C-N 3.35Å; S398-V400 PolarHBondContact O-N 3.38Å; V400-V460 HydrophobicContact CG2-CG1 4.06Å; V400-V460 HydrophobicContact CG2-CG2 3.56Å; V400-K494 HydrophobicContact CG1-CB 3.77Å; V400-F498 HydrophobicContact CG2-CD2 4.22Å; V400-F498 HydrophobicContact CG2-CG 4.43Å
401L80.4Confident66Low21 Ų2178.1 Ų78.111%0.1141%0.412CS..Hα-helixtrans-78.9-26.2-171.1-68.3173.3000114.3R394 F397 S398 K403 L488 L491 K494R394-L401 HydrophobicContact CB-CD1 4.43Å; R394-L401 HydrophobicContact CG-CD1 4.11Å; F397-L401 HydrophobicContact CB-CD1 4.01Å; F397-L401 HydrophobicContact CB-CG 4.15Å; F397-L401 WeakPolarHBondContact O-CB 3.04Å; F397-L401 WeakPolarHBondContact O-CG 3.17Å; F397-L401 PolarHBondContact O-N 2.83Å; S398-L401 PolarHBondContact O-N 2.89Å; L401-K403 PolarHBondContact O-N 3.44Å; L401-L488 HydrophobicContact CD1-CD1 4.44Å; L401-L488 HydrophobicContact CD1-CD2 4.36Å; L401-L488 HydrophobicContact CD2-CD2 3.71Å; L401-L491 HydrophobicContact CD2-CB 4.47Å; L401-L491 HydrophobicContact CD2-CD1 4.06Å; L401-L491 HydrophobicContact CG-CD1 4.39Å; L401-K494 HydrophobicContact CD2-CD 4.07Å; L401-K494 PolarHBondContact O-NZ 2.8Å
402S74.1Confident63.3Low95 Ų9582.4 Ų82.466%0.66444%0.44SS*.THydrogen-bonded Turntrans-71-13.3-179.6560000114.2S398S398-S402 WeakPolarHBondContact O-CB 3.29Å; S398-S402 PolarHBondContact O-N 3.21Å; S398-S402 PolarHBondContact O-OG 3.21Å
403K61.9Low60.5Low72 Ų7287.8 Ų87.831%0.31348%0.475SS..SBendtrans-77.2132.4177.1-70.4-175.8163.9-1550111.9L401 K494 E501L401-K403 PolarHBondContact O-N 3.44Å; K403-K494 WeakPolarHBondContact O-CE 3.45Å; K403-E501 IonicContact NZ-OE1 3.16Å; K403-E501 PolarHBondContact NZ-OE1 3.29Å; K403-E501 IonicContact NZ-OE2 3.98Å; K403-E501 PolarHBondContact NZ-OE2 3.22Å
404K50.3Low57.7Low190 Ų19093.3 Ų93.383%0.82651%0.51SS*.  trans-75.5132.3165.8-72.2-174.3176.9-177.40108.9E406K404-E406 PolarHBondContact O-N 3.42Å
405L49.7Very low54.9Low97 Ų9793.4 Ų93.451%0.50853%0.528SS..  trans-7094168.7-76.7151.3000107.5S407 K494 A497L405-S407 PolarHBondContact O-N 3.41Å; L405-K494 HydrophobicContact CD1-CG 4.21Å; L405-K494 HydrophobicContact CG-CG 4.35Å; L405-A497 HydrophobicContact CD2-CB 4.46Å
406E38.3Very low52Low175 Ų175101.4 Ų101.482%0.81856%0.564SS**  trans-73.9116.3170.9-72.5-178176.100108.8K404 Q408K404-E406 PolarHBondContact O-N 3.42Å; E406-Q408 PolarHBondContact O-N 3.23Å; E406-Q408 VanDerWaalsContact O-N 3.07Å
407S32Very low49Very low105 Ų105107.1 Ų107.173%0.73460%0.601SS**  trans-61.9103.8171.143.80000109.8L405 E409L405-S407 PolarHBondContact O-N 3.41Å; S407-E409 PolarHBondContact O-N 2.89Å
408Q33.3Very low46.3Very low188 Ų188112.6 Ų112.688%0.87964%0.639SS**  trans-71.694.4172.9-74.3-173.3-10.500110.2E406 S410E406-Q408 PolarHBondContact O-N 3.23Å; E406-Q408 VanDerWaalsContact O-N 3.07Å; Q408-S410 PolarHBondContact O-N 3.39Å
409E27Very low43.4Very low186 Ų186117.9 Ų117.987%0.86967%0.671SS**  trans-68.4116155.7-79.9-176.2160.100108.4S407 T411S407-E409 PolarHBondContact O-N 2.89Å; E409-T411 PolarHBondContact O-N 3.13Å
410S29Very low40.8Very low117 Ų117121.1 Ų121.182%0.81870%0.697SS**  trans-87.8101.3179.647.20000110.7Q408Q408-S410 PolarHBondContact O-N 3.39Å
411T25.6Very low38.4Very low133 Ų133130.6 Ų130.682%0.81674%0.741SS**PPolyproline II helixtrans-75.3129.3161.135.30000110.2E409E409-T411 PolarHBondContact O-N 3.13Å
412P32Very low35.9Very low118 Ų118136.8 Ų136.877%0.76677%0.774SS**PPolyproline II helixtrans-75.8142.8-178.828.7-31.7000111.8
413P33.5Very low33.6Very low115 Ų115140 Ų14075%0.74778%0.784SS**PPolyproline II helixtrans-77.2152173.930.1-31.3000111.8
414P31.6Very low32Very low116 Ų116144 Ų14475%0.75381%0.808SS**PPolyproline II helixtrans-73151.8-175.830.1-33.7000112.2
415P33.7Very low31.4Very low131 Ų131140.4 Ų140.485%0.85180%0.804SS**PPolyproline II helixtrans-78.5140.1-175.931.9-32.4000111.4
416Q28.6Very low30.5Very low189 Ų189141.7 Ų141.788%0.88382%0.816SS**  trans-121.8152165.2-84.2-164.3-12.300111.6
417P28.3Very low29.9Very low121 Ų121142.3 Ų142.379%0.78682%0.816SS**  trans-90.1154.3-151.814.51.2000114
418S34.1Very low29.7Very low116 Ų116144.8 Ų144.881%0.81182%0.821SS**  trans-62.9132.917551.90000113.7
419T25.6Very low29.6Very low142 Ų142143.2 Ų143.287%0.87182%0.818SS**  trans-135119.3150.245.80000110.8
420S28.2Very low29.7Very low115 Ų115143.9 Ų143.980%0.80482%0.818SS**  trans-69.5139.5168.340.20000112.5
421Q28.7Very low29.6Very low201 Ų201148 Ų14894%0.93982%0.821SS**  trans-156.1127.2145.8-109.6173.720.500111.9
422N28.5Very low29.9Very low150 Ų150153.7 Ų153.780%0.80283%0.828SS**  trans-65.7147.4173.1-79.4-32.2000112.1
423N25.1Very low29.8Very low163 Ų163152 Ų15287%0.87282%0.823SS**  -177.6122.6124.7-89-20.2000111.9
424L29.1Very low29.6Very low157 Ų157156.5 Ų156.582%0.82283%0.832SS**  trans-91.6163.1152.9-87.8154.9000107.2
425P38.3Very low29.5Very low113 Ų113160.5 Ų160.573%0.73484%0.84SS**  cis-148.9164.136.934.7-10.6000118.8
426V30Very low29.5Very low124 Ų124163.9 Ų163.975%0.75284%0.842SS**  trans32.3108.8139.6-168.20000119.3
427K25.3Very low29.7Very low188 Ų188161 Ų16182%0.81784%0.842SS**  172.2116.3125.9-98.2174-177.6178.30110.2
428N28.4Very low29.6Very low157 Ų157158.7 Ų158.784%0.8483%0.834SS**  trans170.572.1137.7-83.2-16.1000110
429L31.7Very low29.6Very low156 Ų156156.7 Ų156.782%0.81782%0.82SS**  trans-58.3140.3139.6-99.477.7000106.8
430F28.6Very low30.2Very low199 Ų199154.4 Ų154.487%0.87381%0.805SS**  trans87.469.1-173.7-58.5-81.1000116.6
431K26.8Very low30.6Very low205 Ų205159 Ų15989%0.89181%0.805SS**  trans-148.866.5138.4-122.8177.9-176.7179.30110.2
432R32.5Very low31Very low251 Ų251155.7 Ų155.795%0.94779%0.793SS**  trans-123.163.4173.1-148.5-179.6-163.5179.84.4108.7
433A30Very low31.7Very low82 Ų82154.1 Ų154.168%0.67878%0.784SS**SBendtrans-174132.3165.900000106
434F28.6Very low32.5Very low210 Ų210149 Ų14992%0.92176%0.757SS**  trans80.473.7-174.8-82.6-94.5000117.6
435Q30Very low33Very low201 Ų201148.8 Ų148.894%0.93975%0.749SS**  trans-152.770.7131.8-102.2176.18.100107.2
436K32.6Very low33.2Very low202 Ų202144.9 Ų144.988%0.87872%0.723SS**  trans-86.5140.4156-86-177.3174.4-178.70106.2
437S32.8Very low33.7Very low128 Ų128145.1 Ų145.190%0.89573%0.725SS**  trans8559.6176.8-40.80000115.8
438A27Very low34.6Very low73 Ų73140.1 Ų140.160%0.60373%0.726SS**  trans-104.2123.1148.600000107.7V440A438-V440 PolarHBondContact O-N 2.95Å
439S34.1Very low36Very low74 Ų74134.2 Ų134.252%0.51770%0.703SS.*  trans-51.9131.5175.5166.40000111.1R441 N442S439-R441 PolarHBondContact O-N 2.97Å; S439-N442 PolarHBondContact O-N 3.43Å; S439-N442 VanDerWaalsContact O-N 3.16Å
440V37.5Very low37.6Very low94 Ų94128.9 Ų128.957%0.5767%0.673SS**G310 helixtrans-51.9-19.3-179.6175.80000113A438 N442 L444A438-V440 PolarHBondContact O-N 2.95Å; V440-N442 VanDerWaalsContact C-N 3.29Å; V440-N442 PolarHBondContact O-N 3.13Å; V440-L444 HydrophobicContact CG1-CD1 4.42Å
441R36.5Very low39.5Very low212 Ų212126.9 Ų126.980%0.866%0.66SS**G310 helixtrans-66.9-21.3178.3-67.3-175.6-169.9165.33115S439S439-R441 PolarHBondContact O-N 2.97Å
442N37.2Very low41.7Very low130 Ų130117.3 Ų117.370%0.69562%0.618SS**G310 helixtrans-94-6.7-175-78.2-16.8000114.8S439 V440S439-N442 PolarHBondContact O-N 3.43Å; S439-N442 VanDerWaalsContact O-N 3.16Å; V440-N442 VanDerWaalsContact C-N 3.29Å; V440-N442 PolarHBondContact O-N 3.13Å
443I44.6Very low43.5Very low117 Ų117110.2 Ų110.260%0.660%0.599SS**THydrogen-bonded Turntrans-104.1-16.1-173.5-58.2174.6000112.1K445I443-K445 VanDerWaalsContact C-N 3.32Å; I443-K445 PolarHBondContact O-N 2.72Å
444L40.9Very low46.1Very low57 Ų57107.9 Ų107.930%0.29858%0.578SS.*  trans-87.533.9179.2-68.2168.1000114.5V440 P446 V452 L510V440-L444 HydrophobicContact CG1-CD1 4.42Å; L444-P446 WeakPolarHBondContact O-CD 3.34Å; L444-V452 HydrophobicContact CD2-CB 4.27Å; L444-V452 HydrophobicContact CD2-CG1 4.19Å; L444-V452 HydrophobicContact CD2-CG2 4.44Å; L444-L510 HydrophobicContact CD2-CD1 4.27Å
445K39.8Very low48.7Very low152 Ų152102 Ų10266%0.66157%0.569SS**  trans-92.4100.2170.4-78.8-173.9179.1178.90109.3I443 V447I443-K445 VanDerWaalsContact C-N 3.32Å; I443-K445 PolarHBondContact O-N 2.72Å; K445-V447 PolarHBondContact O-N 3.48Å
446P41.7Very low51.3Low30 Ų3095.1 Ų95.120%0.19554%0.536CS..  trans-62.7128.516825-29.9000108.3L444 G448 K450 L502L444-P446 WeakPolarHBondContact O-CD 3.34Å; P446-G448 PolarHBondContact O-N 2.91Å; P446-K450 WeakPolarHBondContact CG-O 3.4Å; P446-L502 VanDerWaalsContact CB-O 3.28Å; P446-L502 WeakPolarHBondContact CB-O 3.37Å
447V42.1Very low53.8Low130 Ų13085.5 Ų85.579%0.78849%0.494SS*.THydrogen-bonded Turntrans-72.387.3168.9-178.70000106.1K445K445-V447 PolarHBondContact O-N 3.48Å
448G43.3Very low56.5Low82 Ų8281.9 Ų81.985%0.84546%0.464SS*.THydrogen-bonded Turntrans104.734.1168.900000118P446P446-G448 PolarHBondContact O-N 2.91Å
449G58.7Low59.5Low34 Ų3480 Ų8035%0.35144%0.442SS..SBendtrans-153.5178-179.200000115.3E501G449-E501 CarbonylContact C-O 3.55Å; G449-E501 WeakPolarHBondContact CA-O 3.37Å
450K64.3Low62.3Low44 Ų4476.5 Ų76.519%0.19142%0.417CS..  trans-55.7139173.6-80.4-173177.51780110.1P446 E456 F498 E501P446-K450 WeakPolarHBondContact CG-O 3.4Å; K450-E456 VanDerWaalsContact CE-OE2 3.3Å; K450-E456 WeakPolarHBondContact CE-OE2 3.32Å; K450-E456 IonicContact NZ-OE1 3.5Å; K450-E456 PolarHBondContact NZ-OE1 3.37Å; K450-E456 IonicContact NZ-OE2 3.61Å; K450-E456 PolarHBondContact NZ-OE2 3.03Å; K450-F498 HydrophobicContact CD-CE2 4.25Å; K450-E501 WeakPolarHBondContact CD-OE2 3.27Å; K450-E501 WeakPolarHBondContact CE-OE2 3.42Å; K450-E501 PolarHBondContact N-O 2.86Å; K450-E501 IonicContact NZ-OE2 3.88Å; K450-E501 PolarHBondContact NZ-OE2 3.47Å
451R68.4Low64.9Low156 Ų15672.1 Ų72.159%0.58939%0.39SS*.  trans-72.8134.9179.4-53.3-173176.3175.62.7110.9D453 S454R451-D453 WeakPolarHBondContact CB-OD1 3.47Å; R451-D453 PolarHBondContact O-N 3.02Å; R451-S454 VanDerWaalsContact O-CB 3.23Å; R451-S454 WeakPolarHBondContact O-CB 3.19Å; R451-S454 PolarHBondContact O-N 3.11Å; R451-S454 PolarHBondContact O-OG 2.8Å
452V72.3Confident67.6Low4 Ų463.9 Ų63.92%0.02437%0.366CS..THydrogen-bonded Turntrans-61.9-27.5-1791800000112.2L444 S454 Q458 L510 L525L444-V452 HydrophobicContact CD2-CB 4.27Å; L444-V452 HydrophobicContact CD2-CG1 4.19Å; L444-V452 HydrophobicContact CD2-CG2 4.44Å; V452-S454 VanDerWaalsContact C-N 3.3Å; V452-Q458 PolarHBondContact O-NE2 2.87Å; V452-L510 HydrophobicContact CG2-CD1 4.12Å; V452-L510 HydrophobicContact CG2-CD2 3.8Å; V452-L525 HydrophobicContact CG1-CD1 3.71Å; V452-L525 HydrophobicContact CG1-CD2 4.36Å
453D71.4Confident70.3Confident102 Ų10257.8 Ų57.855%0.54533%0.333SS..THydrogen-bonded Turntrans-83.62.3176.665.4-23.7000113.9R451R451-D453 WeakPolarHBondContact CB-OD1 3.47Å; R451-D453 PolarHBondContact O-N 3.02Å
454S83.6Confident72.8Confident34 Ų3452.2 Ų52.224%0.23831%0.305CS..SBendtrans-68.7142.5177.265.60000111.7R451 V452 E456 V457 Q458R451-S454 VanDerWaalsContact O-CB 3.23Å; R451-S454 WeakPolarHBondContact O-CB 3.19Å; R451-S454 PolarHBondContact O-N 3.11Å; R451-S454 PolarHBondContact O-OG 2.8Å; V452-S454 VanDerWaalsContact C-N 3.3Å; S454-E456 PolarHBondContact O-N 3.02Å; S454-V457 PolarHBondContact O-N 3.43Å; S454-V457 VanDerWaalsContact O-N 3.1Å; S454-V457 WeakPolarHBondContact OG-CG2 3.28Å; S454-V457 PolarHBondContact OG-N 3.28Å; S454-Q458 WeakPolarHBondContact O-CG 3.33Å; S454-Q458 PolarHBondContact O-N 3.44Å; S454-Q458 VanDerWaalsContact O-N 3.1Å
455A82.9Confident75.4Confident87 Ų8751.2 Ų51.272%0.71930%0.3SS*.Hα-helixtrans-57.9-33.1179.600000112.7K459A455-K459 WeakPolarHBondContact O-CB 3.45Å; A455-K459 PolarHBondContact O-N 3.46Å
456E85.1Confident78.1Confident55 Ų5544 Ų4426%0.25727%0.269SS..Hα-helixtrans-62.4-48175.3-166.3-167.7167.900111.8D399 K450 S454 Q458 K459 V460D399-E456 HydrophobicContact CB-CG 3.79Å; K450-E456 VanDerWaalsContact CE-OE2 3.3Å; K450-E456 WeakPolarHBondContact CE-OE2 3.32Å; K450-E456 IonicContact NZ-OE1 3.5Å; K450-E456 PolarHBondContact NZ-OE1 3.37Å; K450-E456 IonicContact NZ-OE2 3.61Å; K450-E456 PolarHBondContact NZ-OE2 3.03Å; S454-E456 PolarHBondContact O-N 3.02Å; E456-Q458 PolarHBondContact O-N 2.77Å; E456-K459 PolarHBondContact O-N 2.82Å; E456-V460 WeakPolarHBondContact O-CG2 3.38Å; E456-V460 PolarHBondContact O-N 3.24Å
457V86.4Confident80.7Confident0 Ų042.5 Ų42.50%026%0.26CS..Hα-helixtrans-63.5-43.7178.1173.60000111.1S454 K459 V460 C461 F498 L502 L525S454-V457 PolarHBondContact O-N 3.43Å; S454-V457 VanDerWaalsContact O-N 3.1Å; S454-V457 WeakPolarHBondContact OG-CG2 3.28Å; S454-V457 PolarHBondContact OG-N 3.28Å; V457-K459 VanDerWaalsContact C-N 3.33Å; V457-K459 PolarHBondContact O-N 3.48Å; V457-V460 PolarHBondContact O-N 2.86Å; V457-C461 WeakPolarHBondContact O-CB 3.49Å; V457-C461 PolarHBondContact O-N 3.27Å; V457-C461 PolarHBondContact O-SG 3.03Å; V457-F498 HydrophobicContact CB-CZ 4.35Å; V457-F498 HydrophobicContact CG2-CE1 4.3Å; V457-F498 HydrophobicContact CG2-CZ 3.72Å; V457-L502 HydrophobicContact CG1-CD2 4.18Å; V457-L502 HydrophobicContact CG2-CD2 3.82Å; V457-L525 HydrophobicContact CG1-CD2 4.37Å
458Q88.6Confident83.2Confident53 Ų5337.2 Ų37.225%0.24823%0.226CC..Hα-helixtrans-62.9-39.2178.3-63.9-61.4-4200112.2V452 S454 E456 S462V452-Q458 PolarHBondContact O-NE2 2.87Å; S454-Q458 WeakPolarHBondContact O-CG 3.33Å; S454-Q458 PolarHBondContact O-N 3.44Å; S454-Q458 VanDerWaalsContact O-N 3.1Å; E456-Q458 PolarHBondContact O-N 2.77Å; Q458-S462 WeakPolarHBondContact O-CB 3.29Å; Q458-S462 PolarHBondContact O-N 2.91Å; Q458-S462 PolarHBondContact O-OG 3.46Å
459K90.1Very high85.6Confident33 Ų3334 Ų3414%0.14319%0.191CC..Hα-helixtrans-63.4-50.9174.9176.6173.5166.4-154.10111.5N331 D399 A455 E456 V457 C461 S462 I463N331-K459 WeakPolarHBondContact OD1-CG 3.39Å; D399-K459 IonicContact OD1-NZ 3.66Å; D399-K459 VanDerWaalsContact OD2-CD 3.28Å; D399-K459 WeakPolarHBondContact OD2-CD 3.42Å; D399-K459 WeakPolarHBondContact OD2-CE 3.5Å; D399-K459 IonicContact OD2-NZ 2.88Å; D399-K459 PolarHBondContact OD2-NZ 2.96Å; A455-K459 WeakPolarHBondContact O-CB 3.45Å; A455-K459 PolarHBondContact O-N 3.46Å; E456-K459 PolarHBondContact O-N 2.82Å; V457-K459 VanDerWaalsContact C-N 3.33Å; V457-K459 PolarHBondContact O-N 3.48Å; K459-C461 PolarHBondContact O-N 2.91Å; K459-S462 PolarHBondContact O-N 3.45Å; K459-I463 HydrophobicContact CG-CD1 4Å; K459-I463 WeakPolarHBondContact O-CD1 3.25Å; K459-I463 WeakPolarHBondContact O-CG1 3.32Å; K459-I463 PolarHBondContact O-N 3.3Å
460V91.9Very high87.4Confident1 Ų132.4 Ų32.41%0.00617%0.174CC..Hα-helixtrans-60.2-44.6178.7174.60000111.4F397 V400 E456 V457 S462 I463 C464 L495 F498 M528F397-V460 HydrophobicContact CE1-CG1 4.28Å; V400-V460 HydrophobicContact CG2-CG1 4.06Å; V400-V460 HydrophobicContact CG2-CG2 3.56Å; E456-V460 WeakPolarHBondContact O-CG2 3.38Å; E456-V460 PolarHBondContact O-N 3.24Å; V457-V460 PolarHBondContact O-N 2.86Å; V460-S462 PolarHBondContact O-N 3.14Å; V460-I463 PolarHBondContact O-N 3.33Å; V460-C464 PolarHBondContact O-N 3.44Å; V460-C464 PolarHBondContact O-SG 3.09Å; V460-C464 VanDerWaalsContact O-SG 3.34Å; V460-L495 HydrophobicContact CG1-CD1 4.17Å; V460-F498 HydrophobicContact CB-CE1 4.1Å; V460-F498 HydrophobicContact CB-CZ 4.07Å; V460-F498 HydrophobicContact CG1-CD1 4.27Å; V460-F498 HydrophobicContact CG1-CE1 3.9Å; V460-F498 HydrophobicContact CG1-CZ 4.31Å; V460-F498 HydrophobicContact CG2-CE1 4.38Å; V460-F498 HydrophobicContact CG2-CE2 4.28Å; V460-F498 HydrophobicContact CG2-CZ 3.95Å; V460-M528 HydrophobicContact CG1-SD 4.16Å
461C92.1Very high88.7Confident1 Ų130.4 Ų30.41%0.00717%0.165CC..Hα-helixtrans-62.4-41.3176.7-690000112.4V457 K459 I463 C464 V465 Q524V457-C461 WeakPolarHBondContact O-CB 3.49Å; V457-C461 PolarHBondContact O-N 3.27Å; V457-C461 PolarHBondContact O-SG 3.03Å; K459-C461 PolarHBondContact O-N 2.91Å; C461-I463 VanDerWaalsContact C-N 3.32Å; C461-I463 PolarHBondContact O-N 3.39Å; C461-C464 WeakPolarHBondContact O-CB 3.39Å; C461-C464 PolarHBondContact O-N 3.25Å; C461-C464 VanDerWaalsContact O-N 3.17Å; C461-V465 WeakPolarHBondContact O-CG2 3.45Å; C461-V465 PolarHBondContact O-N 3.16Å; C461-Q524 HydrophobicContact CB-CB 4.02Å
462S93.6Very high89.8Confident40 Ų4024.9 Ų24.928%0.2815%0.151SC..Hα-helixtrans-61.7-40.3176.9-600000111.9V334 Q458 K459 V460 V465 L466V334-S462 WeakPolarHBondContact CG1-O 3.24Å; Q458-S462 WeakPolarHBondContact O-CB 3.29Å; Q458-S462 PolarHBondContact O-N 2.91Å; Q458-S462 PolarHBondContact O-OG 3.46Å; K459-S462 PolarHBondContact O-N 3.45Å; V460-S462 PolarHBondContact O-N 3.14Å; S462-V465 PolarHBondContact O-N 3.45Å; S462-L466 PolarHBondContact O-N 2.69Å
463I95.4Very high90.7Very high2 Ų225.1 Ų25.11%0.0115%0.152CC..Hα-helixtrans-64.7-42174.7-63.2157.9000110.5V334 L396 F397 K459 V460 C461 V465 L466 Y467V334-I463 HydrophobicContact CG1-CG1 4.34Å; V334-I463 HydrophobicContact CG2-CG1 3.9Å; L396-I463 HydrophobicContact CB-CD1 4.08Å; L396-I463 HydrophobicContact CB-CG1 4.38Å; L396-I463 HydrophobicContact CB-CG2 4.26Å; L396-I463 WeakPolarHBondContact O-CD1 3.24Å; F397-I463 HydrophobicContact CD2-CG2 4.08Å; F397-I463 HydrophobicContact CE1-CB 4.43Å; F397-I463 HydrophobicContact CE1-CG2 3.96Å; F397-I463 HydrophobicContact CE2-CG2 3.46Å; F397-I463 VanDerWaalsContact CE2-CG2 3.46Å; F397-I463 HydrophobicContact CZ-CB 4.26Å; F397-I463 HydrophobicContact CZ-CG2 3.39Å; K459-I463 HydrophobicContact CG-CD1 4Å; K459-I463 WeakPolarHBondContact O-CD1 3.25Å; K459-I463 WeakPolarHBondContact O-CG1 3.32Å; K459-I463 PolarHBondContact O-N 3.3Å; V460-I463 PolarHBondContact O-N 3.33Å; C461-I463 VanDerWaalsContact C-N 3.32Å; C461-I463 PolarHBondContact O-N 3.39Å; I463-V465 VanDerWaalsContact C-N 3.32Å; I463-V465 PolarHBondContact O-N 3.03Å; I463-L466 WeakPolarHBondContact O-CB 3.42Å; I463-L466 PolarHBondContact O-N 3.21Å; I463-Y467 HydrophobicContact CG2-CD2 3.84Å; I463-Y467 HydrophobicContact CG2-CE2 3.56Å; I463-Y467 VanDerWaalsContact O-CD2 3.27Å; I463-Y467 WeakPolarHBondContact O-CD2 3.45Å; I463-Y467 PolarHBondContact O-N 2.88Å; I463-Y467 VanDerWaalsContact O-N 3.14Å
464C95.4Very high91.7Very high0 Ų020.3 Ų20.30%013%0.126CC..Hα-helixtrans-62.8-38.8176.2-70.20000112.4V460 C461 Y467 Q468 M528 L531V460-C464 PolarHBondContact O-N 3.44Å; V460-C464 PolarHBondContact O-SG 3.09Å; V460-C464 VanDerWaalsContact O-SG 3.34Å; C461-C464 WeakPolarHBondContact O-CB 3.39Å; C461-C464 PolarHBondContact O-N 3.25Å; C461-C464 VanDerWaalsContact O-N 3.17Å; C464-Y467 PolarHBondContact O-N 3.11Å; C464-Q468 WeakPolarHBondContact O-CB 3.34Å; C464-Q468 WeakPolarHBondContact O-CG 3.13Å; C464-Q468 PolarHBondContact O-N 2.73Å; C464-M528 HydrophobicContact CB-CB 3.94Å; C464-L531 HydrophobicContact CB-CD2 3.99Å
465V95.6Very high91.9Very high35 Ų3522.2 Ų22.221%0.21214%0.137CC..Hα-helixtrans-62.6-42.6173.71710000111T338 C461 S462 I463 Y467 Q468 T469 Q524 A527T338-V465 HydrophobicContact CG2-CG1 3.92Å; C461-V465 WeakPolarHBondContact O-CG2 3.45Å; C461-V465 PolarHBondContact O-N 3.16Å; S462-V465 PolarHBondContact O-N 3.45Å; I463-V465 VanDerWaalsContact C-N 3.32Å; I463-V465 PolarHBondContact O-N 3.03Å; V465-Y467 PolarHBondContact O-N 2.94Å; V465-Q468 PolarHBondContact O-N 3.23Å; V465-T469 VanDerWaalsContact O-CB 3.32Å; V465-T469 WeakPolarHBondContact O-CB 3.23Å; V465-T469 PolarHBondContact O-N 2.81Å; V465-T469 PolarHBondContact O-OG1 2.71Å; V465-Q524 HydrophobicContact CG2-CB 4.31Å; V465-Q524 HydrophobicContact CG2-CG 4.03Å; V465-A527 HydrophobicContact CG2-CB 3.66Å
466L96.3Very high92Very high0 Ų022.5 Ų22.50%012%0.123CC..Hα-helixtrans-55.1-51.7175.2170.563.2000111.6V334 L337 T338 L341 L387 S462 I463 T469 A470V334-L466 HydrophobicContact CB-CD2 4.39Å; V334-L466 HydrophobicContact CG1-CB 4Å; V334-L466 HydrophobicContact CG1-CD2 4.17Å; V334-L466 HydrophobicContact CG2-CD2 4.13Å; L337-L466 HydrophobicContact CB-CD1 3.56Å; L337-L466 HydrophobicContact CB-CD2 4.5Å; L337-L466 HydrophobicContact CD1-CD1 4.48Å; L337-L466 HydrophobicContact CD1-CD2 4.25Å; T338-L466 WeakPolarHBondContact OG1-CA 3.41Å; T338-L466 WeakPolarHBondContact OG1-CB 3.48Å; L341-L466 HydrophobicContact CD1-CD1 3.79Å; L387-L466 HydrophobicContact CD1-CD2 4.14Å; S462-L466 PolarHBondContact O-N 2.69Å; I463-L466 WeakPolarHBondContact O-CB 3.42Å; I463-L466 PolarHBondContact O-N 3.21Å; L466-T469 PolarHBondContact O-N 2.9Å; L466-A470 WeakPolarHBondContact O-CB 3.48Å; L466-A470 PolarHBondContact O-N 3.37Å
467Y96.4Very high92.2Very high0 Ų020.4 Ų20.40%011%0.113CC..Hα-helixtrans-69.3-35.7-179.6-71.9-67.7000112.8L387 W388 F397 I463 C464 V465 T469 A470 L471 L485 L531L387-Y467 HydrophobicContact CG-CE1 3.99Å; L387-Y467 PolarHBondContact O-OH 2.93Å; W388-Y467 HydrophobicContact CB-CE1 4.32Å; F397-Y467 HydrophobicContact CE2-CD2 4.16Å; F397-Y467 AromaticContact CE2-CE2 3.7Å; F397-Y467 HydrophobicContact CE2-CE2 3.7Å; F397-Y467 HydrophobicContact CZ-CD2 4.41Å; F397-Y467 HydrophobicContact CZ-CE2 4.36Å; I463-Y467 HydrophobicContact CG2-CD2 3.84Å; I463-Y467 HydrophobicContact CG2-CE2 3.56Å; I463-Y467 VanDerWaalsContact O-CD2 3.27Å; I463-Y467 WeakPolarHBondContact O-CD2 3.45Å; I463-Y467 PolarHBondContact O-N 2.88Å; I463-Y467 VanDerWaalsContact O-N 3.14Å; C464-Y467 PolarHBondContact O-N 3.11Å; V465-Y467 PolarHBondContact O-N 2.94Å; Y467-T469 VanDerWaalsContact C-N 3.34Å; Y467-A470 PolarHBondContact O-N 2.88Å; Y467-L471 WeakPolarHBondContact O-CB 3.37Å; Y467-L471 VanDerWaalsContact O-CG 3.23Å; Y467-L471 WeakPolarHBondContact O-CG 3.36Å; Y467-L471 PolarHBondContact O-N 2.94Å; Y467-L485 HydrophobicContact CD1-CD1 4.01Å; Y467-L485 HydrophobicContact CD1-CD2 3.84Å; Y467-L485 HydrophobicContact CD1-CG 4.33Å; Y467-L485 HydrophobicContact CD2-CD2 4.2Å; Y467-L485 HydrophobicContact CE1-CD2 3.71Å; Y467-L485 HydrophobicContact CE2-CD2 4.09Å; Y467-L485 HydrophobicContact CG-CD1 4.11Å; Y467-L485 HydrophobicContact CG-CD2 4.09Å; Y467-L531 HydrophobicContact CD2-CD2 4.37Å; Y467-L531 HydrophobicContact CG-CD2 4.48Å
468Q95.1Very high92.3Very high19 Ų1923.6 Ų23.69%0.08913%0.126CC..Hα-helixtrans-62.1-41.7171.5-81.6-63.6-40.600112.2C464 V465 A470 L471 S472 A527 M530 L531C464-Q468 WeakPolarHBondContact O-CB 3.34Å; C464-Q468 WeakPolarHBondContact O-CG 3.13Å; C464-Q468 PolarHBondContact O-N 2.73Å; V465-Q468 PolarHBondContact O-N 3.23Å; Q468-A470 VanDerWaalsContact C-N 3.34Å; Q468-L471 PolarHBondContact O-N 3Å; Q468-S472 PolarHBondContact O-N 2.93Å; Q468-S472 PolarHBondContact O-OG 3.31Å; Q468-A527 HydrophobicContact CG-CB 4.3Å; Q468-A527 WeakPolarHBondContact CG-O 3.28Å; Q468-M530 HydrophobicContact CG-CB 4.42Å; Q468-L531 HydrophobicContact CG-CB 4.02Å; Q468-L531 HydrophobicContact CG-CD1 4.36Å; Q468-L531 VanDerWaalsContact NE2-N 3.13Å
469T94.5Very high92.2Very high15 Ų1526.8 Ų26.89%0.09214%0.143CC..Hα-helixtrans-66.7-38.4176.8-51.20000110.6L341 V465 L466 Y467 S472 T473L341-T469 HydrophobicContact CB-CG2 3.73Å; V465-T469 VanDerWaalsContact O-CB 3.32Å; V465-T469 WeakPolarHBondContact O-CB 3.23Å; V465-T469 PolarHBondContact O-N 2.81Å; V465-T469 PolarHBondContact O-OG1 2.71Å; L466-T469 PolarHBondContact O-N 2.9Å; Y467-T469 VanDerWaalsContact C-N 3.34Å; T469-S472 PolarHBondContact O-N 3.1Å; T469-S472 PolarHBondContact O-OG 3.25Å; T469-S472 VanDerWaalsContact O-OG 3.04Å; T469-T473 WeakPolarHBondContact O-CB 3.38Å; T469-T473 PolarHBondContact O-N 3.33Å; T469-T473 PolarHBondContact O-OG1 3.11Å
470A95.3Very high92.1Very high0 Ų029 Ų290%016%0.155CC..Hα-helixtrans-63.5-43.6173.200000111.6L341 L466 Y467 Q468 S472 T473 L474 I481L341-A470 HydrophobicContact CD1-CB 3.95Å; L466-A470 WeakPolarHBondContact O-CB 3.48Å; L466-A470 PolarHBondContact O-N 3.37Å; Y467-A470 PolarHBondContact O-N 2.88Å; Q468-A470 VanDerWaalsContact C-N 3.34Å; A470-S472 VanDerWaalsContact C-N 3.33Å; A470-S472 PolarHBondContact O-N 3.19Å; A470-T473 PolarHBondContact O-N 3.5Å; A470-L474 HydrophobicContact CB-CD1 4.34Å; A470-L474 VanDerWaalsContact O-CB 3.26Å; A470-L474 WeakPolarHBondContact O-CB 3.05Å; A470-L474 WeakPolarHBondContact O-CG 3.44Å; A470-L474 PolarHBondContact O-N 3.43Å; A470-I481 HydrophobicContact CB-CD1 4.19Å
471L93.3Very high92Very high1 Ų129 Ų291%0.00515%0.154CC..Hα-helixtrans-65.3-31.9178.3-76.2173.6000113.5Y467 Q468 R478 I481 L482 L531Y467-L471 WeakPolarHBondContact O-CB 3.37Å; Y467-L471 VanDerWaalsContact O-CG 3.23Å; Y467-L471 WeakPolarHBondContact O-CG 3.36Å; Y467-L471 PolarHBondContact O-N 2.94Å; Q468-L471 PolarHBondContact O-N 3Å; L471-R478 HydrophobicContact CD2-CG 3.67Å; L471-R478 PolarHBondContact O-NH1 3.28Å; L471-I481 HydrophobicContact CD2-CB 3.84Å; L471-I481 HydrophobicContact CD2-CD1 4.4Å; L471-I481 HydrophobicContact CD2-CG2 3.77Å; L471-I481 HydrophobicContact CG-CG2 4.16Å; L471-L482 HydrophobicContact CD1-CD2 3.91Å; L471-L482 HydrophobicContact CD2-CD1 4.49Å; L471-L482 HydrophobicContact CD2-CD2 3.76Å; L471-L482 HydrophobicContact CD2-CG 3.73Å; L471-L531 HydrophobicContact CD1-CD1 3.68Å
472S91Very high91.9Very high41 Ų4129.1 Ų29.129%0.28716%0.155SC..Hα-helixtrans-85.2-30.3177.367.80000112.9Q468 T469 A470 T475Q468-S472 PolarHBondContact O-N 2.93Å; Q468-S472 PolarHBondContact O-OG 3.31Å; T469-S472 PolarHBondContact O-N 3.1Å; T469-S472 PolarHBondContact O-OG 3.25Å; T469-S472 VanDerWaalsContact O-OG 3.04Å; A470-S472 VanDerWaalsContact C-N 3.33Å; A470-S472 PolarHBondContact O-N 3.19Å; S472-T475 WeakPolarHBondContact O-CG2 3.42Å
473T91.5Very high91.6Very high8 Ų830.5 Ų30.55%0.04916%0.162CC..Hα-helixtrans-84-45.9-179.7-55.10000112L341 C344 Q345 L362 T469 A470 T475L341-T473 HydrophobicContact CD2-CG2 4.13Å; L341-T473 PolarHBondContact O-OG1 3.47Å; C344-T473 HydrophobicContact CB-CG2 3.9Å; Q345-T473 HydrophobicContact CB-CG2 4.28Å; L362-T473 HydrophobicContact CD2-CG2 4.1Å; T469-T473 WeakPolarHBondContact O-CB 3.38Å; T469-T473 PolarHBondContact O-N 3.33Å; T469-T473 PolarHBondContact O-OG1 3.11Å; A470-T473 PolarHBondContact O-N 3.5Å; T473-T475 VanDerWaalsContact C-N 3.34Å; T473-T475 PolarHBondContact O-N 3.03Å
474L91.9Very high91.1Very high2 Ų231.1 Ų31.11%0.0117%0.168CC..  trans-9752.1-171-49.8175.9000111.4L309 L341 V361 L362 A470 Q476 I477 R478 I481L309-L474 HydrophobicContact CD1-CD2 3.97Å; L341-L474 HydrophobicContact CD2-CD1 4.19Å; L341-L474 HydrophobicContact CD2-CD2 4.14Å; L341-L474 HydrophobicContact CD2-CG 4.16Å; V361-L474 HydrophobicContact CG1-CD2 3.58Å; L362-L474 HydrophobicContact CD2-CD2 4.24Å; A470-L474 HydrophobicContact CB-CD1 4.34Å; A470-L474 VanDerWaalsContact O-CB 3.26Å; A470-L474 WeakPolarHBondContact O-CB 3.05Å; A470-L474 WeakPolarHBondContact O-CG 3.44Å; A470-L474 PolarHBondContact O-N 3.43Å; L474-Q476 PolarHBondContact O-N 3.1Å; L474-Q476 VanDerWaalsContact O-N 3.1Å; L474-I477 HydrophobicContact CB-CD1 4.13Å; L474-I477 HydrophobicContact CB-CG1 3.72Å; L474-I477 HydrophobicContact CD1-CD1 4.23Å; L474-I477 CarbonylContact O-C 3.59Å; L474-I477 PolarHBondContact O-N 3.24Å; L474-R478 PolarHBondContact O-N 3.49Å; L474-R478 VanDerWaalsContact O-N 3.11Å; L474-I481 HydrophobicContact CB-CD1 4.07Å; L474-I481 HydrophobicContact CD1-CD1 4.13Å
475T87Confident90.8Very high74 Ų7431.2 Ų31.245%0.45417%0.169SC..G310 helixtrans-55.5-33.1-170.858.30000114.3S472 T473 I477 R478S472-T475 WeakPolarHBondContact O-CG2 3.42Å; T473-T475 VanDerWaalsContact C-N 3.34Å; T473-T475 PolarHBondContact O-N 3.03Å; T475-I477 VanDerWaalsContact C-N 3.3Å; T475-I477 PolarHBondContact O-N 3.21Å; T475-R478 WeakPolarHBondContact O-CB 3.49Å; T475-R478 PolarHBondContact O-N 3.03Å
476Q86.3Confident90.3Very high93 Ų9330 Ų3044%0.43516%0.161SC..G310 helixtrans-70.2-25.9-179-57.2-54.7-69.800113.2P360 V361 L474P360-Q476 WeakPolarHBondContact O-CB 3.17Å; P360-Q476 WeakPolarHBondContact O-CG 3.44Å; V361-Q476 WeakPolarHBondContact O-CG 3.25Å; L474-Q476 PolarHBondContact O-N 3.1Å; L474-Q476 VanDerWaalsContact O-N 3.1Å
477I88.1Confident89.6Confident11 Ų1136.5 Ų36.56%0.05619%0.192CC..G310 helixtrans-114.615.3179.560.4175.8000112.3V361 T381 L384 W388 L474 T475 L479 Q480 I481V361-I477 HydrophobicContact CG1-CD1 4.07Å; T381-I477 HydrophobicContact CG2-CD1 4.31Å; T381-I477 HydrophobicContact CG2-CG2 4.17Å; L384-I477 HydrophobicContact CD1-CD1 4.43Å; W388-I477 HydrophobicContact CH2-CD1 3.83Å; W388-I477 HydrophobicContact CZ2-CD1 4.37Å; L474-I477 HydrophobicContact CB-CD1 4.13Å; L474-I477 HydrophobicContact CB-CG1 3.72Å; L474-I477 HydrophobicContact CD1-CD1 4.23Å; L474-I477 CarbonylContact O-C 3.59Å; L474-I477 PolarHBondContact O-N 3.24Å; T475-I477 VanDerWaalsContact C-N 3.3Å; T475-I477 PolarHBondContact O-N 3.21Å; I477-L479 VanDerWaalsContact C-N 3.28Å; I477-L479 PolarHBondContact O-N 2.66Å; I477-Q480 WeakPolarHBondContact O-CB 3.34Å; I477-Q480 PolarHBondContact O-N 3.41Å; I477-I481 PolarHBondContact O-N 3.16Å
478R89.6Confident88.9Confident67 Ų6736.9 Ų36.925%0.25319%0.194SC..Hα-helixtrans-51.1-43.9-178.4-176.2-176.7165.2915.1112.9L471 L474 T475 Q480 I481 L482 D534L471-R478 HydrophobicContact CD2-CG 3.67Å; L471-R478 PolarHBondContact O-NH1 3.28Å; L474-R478 PolarHBondContact O-N 3.49Å; L474-R478 VanDerWaalsContact O-N 3.11Å; T475-R478 WeakPolarHBondContact O-CB 3.49Å; T475-R478 PolarHBondContact O-N 3.03Å; R478-Q480 VanDerWaalsContact C-N 3.32Å; R478-Q480 PolarHBondContact O-N 3.19Å; R478-I481 PolarHBondContact O-N 3.06Å; R478-L482 HydrophobicContact CG-CD1 4.36Å; R478-L482 WeakPolarHBondContact O-CG 3.45Å; R478-L482 PolarHBondContact O-N 2.85Å; R478-L482 VanDerWaalsContact O-N 3.08Å; R478-D534 IonicContact CZ-OD2 2.6Å; R478-D534 IonicContact NH2-OD1 3.68Å; R478-D534 PolarHBondContact NH2-OD1 3.01Å; R478-D534 IonicContact NH2-OD2 3.86Å; R478-D534 PolarHBondContact NH2-OD2 3.23Å
479L85.9Confident88.1Confident119 Ų11940.3 Ų40.362%0.62321%0.212SC*.Hα-helixtrans-65.9-32.7179.2-66.9176.1000112.7I477 T483I477-L479 VanDerWaalsContact C-N 3.28Å; I477-L479 PolarHBondContact O-N 2.66Å; L479-T483 WeakPolarHBondContact O-CB 3.5Å; L479-T483 PolarHBondContact O-N 3.3Å; L479-T483 PolarHBondContact O-OG1 3.04Å
480Q86.9Confident87.5Confident81 Ų8143.3 Ų43.338%0.37923%0.228SC..Hα-helixtrans-67.7-39.3176-60.6-177.89.400111W388 I477 R478 T483 G484W388-Q480 HydrophobicContact CZ2-CB 4.42Å; W388-Q480 PolarHBondContact NE1-O 3.37Å; I477-Q480 WeakPolarHBondContact O-CB 3.34Å; I477-Q480 PolarHBondContact O-N 3.41Å; R478-Q480 VanDerWaalsContact C-N 3.32Å; R478-Q480 PolarHBondContact O-N 3.19Å; Q480-T483 PolarHBondContact O-N 3.44Å; Q480-G484 PolarHBondContact O-N 3.1Å
481I91.4Very high87.3Confident0 Ų043.5 Ų43.50%023%0.229CC..Hα-helixtrans-62.6-50.4175.9-56.9173000110.1W388 A470 L471 L474 I477 R478 T483 G484 L485W388-I481 HydrophobicContact CD2-CB 4.34Å; W388-I481 HydrophobicContact CD2-CG1 3.99Å; W388-I481 HydrophobicContact CD2-CG2 4.44Å; W388-I481 HydrophobicContact CE3-CB 4.41Å; W388-I481 HydrophobicContact CE3-CG1 3.78Å; W388-I481 HydrophobicContact CE3-CG2 4.3Å; W388-I481 HydrophobicContact CH2-CD1 4.37Å; W388-I481 HydrophobicContact CH2-CG1 3.74Å; W388-I481 HydrophobicContact CZ2-CG1 3.91Å; W388-I481 HydrophobicContact CZ3-CD1 4.16Å; W388-I481 HydrophobicContact CZ3-CG1 3.68Å; A470-I481 HydrophobicContact CB-CD1 4.19Å; L471-I481 HydrophobicContact CD2-CB 3.84Å; L471-I481 HydrophobicContact CD2-CD1 4.4Å; L471-I481 HydrophobicContact CD2-CG2 3.77Å; L471-I481 HydrophobicContact CG-CG2 4.16Å; L474-I481 HydrophobicContact CB-CD1 4.07Å; L474-I481 HydrophobicContact CD1-CD1 4.13Å; I477-I481 PolarHBondContact O-N 3.16Å; R478-I481 PolarHBondContact O-N 3.06Å; I481-T483 VanDerWaalsContact C-N 3.32Å; I481-T483 PolarHBondContact O-N 2.94Å; I481-G484 PolarHBondContact O-N 3.08Å; I481-L485 HydrophobicContact CG2-CD1 4.03Å; I481-L485 HydrophobicContact CG2-CG 4.5Å; I481-L485 WeakPolarHBondContact O-CG 3.45Å; I481-L485 PolarHBondContact O-N 3.26Å
482L89.8Confident87.2Confident4 Ų443.8 Ų43.82%0.02123%0.23CC..Hα-helixtrans-60.5-41.9178.5-67171.2000111.7L471 R478 L485 T486 D534 H538L471-L482 HydrophobicContact CD1-CD2 3.91Å; L471-L482 HydrophobicContact CD2-CD1 4.49Å; L471-L482 HydrophobicContact CD2-CD2 3.76Å; L471-L482 HydrophobicContact CD2-CG 3.73Å; R478-L482 HydrophobicContact CG-CD1 4.36Å; R478-L482 WeakPolarHBondContact O-CG 3.45Å; R478-L482 PolarHBondContact O-N 2.85Å; R478-L482 VanDerWaalsContact O-N 3.08Å; L482-L485 PolarHBondContact O-N 2.87Å; L482-T486 WeakPolarHBondContact O-CB 3.26Å; L482-T486 WeakPolarHBondContact O-CG2 3.48Å; L482-T486 PolarHBondContact O-N 2.84Å; L482-T486 VanDerWaalsContact O-N 3.08Å; L482-T486 PolarHBondContact O-OG1 3.44Å; L482-D534 HydrophobicContact CD2-CB 4.24Å; L482-H538 HydrophobicContact CB-CB 4.05Å; L482-H538 HydrophobicContact CD1-CB 4.19Å
483T86.9Confident87.1Confident69 Ų6942 Ų4242%0.42322%0.218SC..Hα-helixtrans-65.1-40.5177.1-53.30000111.7L479 Q480 I481 T486 H487 H538L479-T483 WeakPolarHBondContact O-CB 3.5Å; L479-T483 PolarHBondContact O-N 3.3Å; L479-T483 PolarHBondContact O-OG1 3.04Å; Q480-T483 PolarHBondContact O-N 3.44Å; I481-T483 VanDerWaalsContact C-N 3.32Å; I481-T483 PolarHBondContact O-N 2.94Å; T483-T486 WeakPolarHBondContact CA-OG1 3.31Å; T483-T486 PolarHBondContact O-N 3.42Å; T483-T486 PolarHBondContact O-OG1 2.96Å; T483-T486 VanDerWaalsContact O-OG1 3.04Å; T483-H487 PolarHBondContact O-N 3.03Å; T483-H487 VanDerWaalsContact O-N 3.1Å; T483-H538 PolarHBondContact N-NE2 3.37Å; T483-H538 PolarHBondContact OG1-NE2 2.77Å
484G85.4Confident87Confident14 Ų1443 Ų4314%0.14422%0.222CC..Hα-helixtrans-64.1-43.4176.200000113.7W388 Q480 I481 T486 H487W388-G484 CarbonylContact O-C 3.56Å; Q480-G484 PolarHBondContact O-N 3.1Å; I481-G484 PolarHBondContact O-N 3.08Å; G484-T486 VanDerWaalsContact C-N 3.28Å; G484-T486 PolarHBondContact O-N 3.44Å; G484-H487 PolarHBondContact O-N 3.41Å
485L88.3Confident86.9Confident3 Ų343.1 Ų43.12%0.01622%0.222CC..Hα-helixtrans-66.8-29177.5-70.8174000113.1W388 I393 Y467 I481 L482 L531W388-L485 HydrophobicContact CB-CG 4.46Å; I393-L485 HydrophobicContact CD1-CD2 3.93Å; I393-L485 HydrophobicContact CG1-CD2 4.29Å; Y467-L485 HydrophobicContact CD1-CD1 4.01Å; Y467-L485 HydrophobicContact CD1-CD2 3.84Å; Y467-L485 HydrophobicContact CD1-CG 4.33Å; Y467-L485 HydrophobicContact CD2-CD2 4.2Å; Y467-L485 HydrophobicContact CE1-CD2 3.71Å; Y467-L485 HydrophobicContact CE2-CD2 4.09Å; Y467-L485 HydrophobicContact CG-CD1 4.11Å; Y467-L485 HydrophobicContact CG-CD2 4.09Å; I481-L485 HydrophobicContact CG2-CD1 4.03Å; I481-L485 HydrophobicContact CG2-CG 4.5Å; I481-L485 WeakPolarHBondContact O-CG 3.45Å; I481-L485 PolarHBondContact O-N 3.26Å; L482-L485 PolarHBondContact O-N 2.87Å; L485-L531 HydrophobicContact CD1-CD1 4.07Å
486T86.4Confident87.1Confident9 Ų940 Ų406%0.05520%0.202CC..Hα-helixtrans-89.3-12.6-17950.80000113.5L482 T483 G484 L488 L492 C535 L539L482-T486 WeakPolarHBondContact O-CB 3.26Å; L482-T486 WeakPolarHBondContact O-CG2 3.48Å; L482-T486 PolarHBondContact O-N 2.84Å; L482-T486 VanDerWaalsContact O-N 3.08Å; L482-T486 PolarHBondContact O-OG1 3.44Å; T483-T486 WeakPolarHBondContact CA-OG1 3.31Å; T483-T486 PolarHBondContact O-N 3.42Å; T483-T486 PolarHBondContact O-OG1 2.96Å; T483-T486 VanDerWaalsContact O-OG1 3.04Å; G484-T486 VanDerWaalsContact C-N 3.28Å; G484-T486 PolarHBondContact O-N 3.44Å; T486-L488 PolarHBondContact O-N 3.42Å; T486-L492 HydrophobicContact CG2-CD1 4.14Å; T486-C535 HydrophobicContact CG2-CB 4.09Å; T486-C535 VanDerWaalsContact CG2-O 3.3Å; T486-C535 WeakPolarHBondContact CG2-O 3.25Å; T486-L539 HydrophobicContact CG2-CB 3.77Å
487H81.6Confident87.2Confident137 Ų13737.3 Ų37.363%0.63420%0.195SC*.SBendtrans-67.7-17.9178.9-169.659.5000113.9T483 G484T483-H487 PolarHBondContact O-N 3.03Å; T483-H487 VanDerWaalsContact O-N 3.1Å; G484-H487 PolarHBondContact O-N 3.41Å
488L81.5Confident87.2Confident8 Ų837 Ų374%0.04219%0.194CC..SBendtrans-95.796.6174.6-161.6148.6000109.1V390 I393 R394 L401 T486 D490 L491V390-L488 HydrophobicContact CG1-CD1 4.22Å; I393-L488 HydrophobicContact CG2-CD1 4.24Å; R394-L488 HydrophobicContact CG-CD1 3.61Å; L401-L488 HydrophobicContact CD1-CD1 4.44Å; L401-L488 HydrophobicContact CD1-CD2 4.36Å; L401-L488 HydrophobicContact CD2-CD2 3.71Å; T486-L488 PolarHBondContact O-N 3.42Å; L488-D490 HydrophobicContact CD2-CB 4.05Å; L488-D490 PolarHBondContact O-N 2.92Å; L488-L491 HydrophobicContact CB-CB 4.3Å; L488-L491 HydrophobicContact CD2-CB 3.83Å; L488-L491 WeakPolarHBondContact O-CB 3.42Å; L488-L491 PolarHBondContact O-N 3.19Å
489D76.7Confident87.1Confident90 Ų9033.8 Ų33.848%0.48118%0.182SC..THydrogen-bonded Turntrans-52.7-34.7-170.1-59.3-32000114.1P493D489-P493 VanDerWaalsContact O-CD 3.29Å; D489-P493 WeakPolarHBondContact O-CD 3.27Å
490D83.6Confident87.1Confident78 Ų7830.4 Ų30.442%0.41717%0.167SC..THydrogen-bonded Turntrans-80.8-13.5-178.2-74.41.3000114.7L488 K494L488-D490 HydrophobicContact CD2-CB 4.05Å; L488-D490 PolarHBondContact O-N 2.92Å; D490-K494 HydrophobicContact CB-CD 4.24Å; D490-K494 VanDerWaalsContact O-CB 3.3Å; D490-K494 WeakPolarHBondContact O-CB 3.49Å; D490-K494 VanDerWaalsContact O-CG 3.24Å; D490-K494 WeakPolarHBondContact O-CG 3.33Å; D490-K494 PolarHBondContact O-N 3.24Å; D490-K494 IonicContact OD2-NZ 3.9Å; D490-K494 PolarHBondContact OD2-NZ 2.99Å
491L89.4Confident86.9Confident5 Ų529.6 Ų29.63%0.02616%0.164CC..Hα-helixtrans-67.1-52.8-170-179.863.3000111.5I393 F397 L401 L488 K494 L495I393-L491 HydrophobicContact CG2-CD1 4.46Å; I393-L491 HydrophobicContact CG2-CD2 3.87Å; F397-L491 HydrophobicContact CB-CD1 3.95Å; F397-L491 HydrophobicContact CD1-CD1 4.17Å; F397-L491 HydrophobicContact CD2-CD1 3.95Å; F397-L491 HydrophobicContact CE2-CD1 4.43Å; F397-L491 HydrophobicContact CE2-CD2 4.49Å; F397-L491 HydrophobicContact CG-CD1 3.78Å; L401-L491 HydrophobicContact CD2-CB 4.47Å; L401-L491 HydrophobicContact CD2-CD1 4.06Å; L401-L491 HydrophobicContact CG-CD1 4.39Å; L488-L491 HydrophobicContact CB-CB 4.3Å; L488-L491 HydrophobicContact CD2-CB 3.83Å; L488-L491 WeakPolarHBondContact O-CB 3.42Å; L488-L491 PolarHBondContact O-N 3.19Å; L491-K494 PolarHBondContact O-N 3.4Å; L491-L495 VanDerWaalsContact O-CB 3.25Å; L491-L495 WeakPolarHBondContact O-CB 3.4Å; L491-L495 PolarHBondContact O-N 3.14Å
492L91.6Very high86.4Confident6 Ų629.7 Ų29.73%0.03116%0.164CC..Hα-helixtrans-68.1-42.4-175-58.1-178.3000113.3T486 K494 L495 W496 F532 C535 L539 F555T486-L492 HydrophobicContact CG2-CD1 4.14Å; L492-K494 PolarHBondContact O-N 3.28Å; L492-L495 PolarHBondContact O-N 2.74Å; L492-W496 PolarHBondContact O-N 3.46Å; L492-F532 HydrophobicContact CB-CE2 4.46Å; L492-C535 HydrophobicContact CD1-CB 4.02Å; L492-C535 HydrophobicContact CD2-CB 3.58Å; L492-C535 HydrophobicContact CG-CB 4.44Å; L492-L539 HydrophobicContact CD1-CB 4.32Å; L492-L539 HydrophobicContact CD1-CD2 3.84Å; L492-F555 HydrophobicContact CB-CE1 4.46Å; L492-F555 HydrophobicContact CB-CE2 4.15Å; L492-F555 HydrophobicContact CB-CZ 3.64Å; L492-F555 HydrophobicContact CD1-CE2 4.37Å
493P89.8Confident85.6Confident5 Ų530 Ų303%0.03217%0.168CC..Hα-helixtrans-61-43.3174.4-23.735000112.1D489 W496 A497 S554 F555D489-P493 VanDerWaalsContact O-CD 3.29Å; D489-P493 WeakPolarHBondContact O-CD 3.27Å; P493-W496 WeakPolarHBondContact O-CB 3.3Å; P493-W496 PolarHBondContact O-N 3.1Å; P493-A497 PolarHBondContact O-N 2.66Å; P493-S554 WeakPolarHBondContact CG-O 3.28Å; P493-F555 HydrophobicContact CB-CD1 4.48Å; P493-F555 HydrophobicContact CB-CE1 4.46Å; P493-F555 HydrophobicContact CG-CD1 4.21Å; P493-F555 HydrophobicContact CG-CE1 4.23Å
494K88.6Confident84.5Confident29 Ų2930.7 Ų30.713%0.12617%0.174CC..Hα-helixtrans-69.1-34.7176.9-69.7177.8179168.50112.5V400 L401 K403 L405 D490 L491 L492 A497 F498V400-K494 HydrophobicContact CG1-CB 3.77Å; L401-K494 HydrophobicContact CD2-CD 4.07Å; L401-K494 PolarHBondContact O-NZ 2.8Å; K403-K494 WeakPolarHBondContact O-CE 3.45Å; L405-K494 HydrophobicContact CD1-CG 4.21Å; L405-K494 HydrophobicContact CG-CG 4.35Å; D490-K494 HydrophobicContact CB-CD 4.24Å; D490-K494 VanDerWaalsContact O-CB 3.3Å; D490-K494 WeakPolarHBondContact O-CB 3.49Å; D490-K494 VanDerWaalsContact O-CG 3.24Å; D490-K494 WeakPolarHBondContact O-CG 3.33Å; D490-K494 PolarHBondContact O-N 3.24Å; D490-K494 IonicContact OD2-NZ 3.9Å; D490-K494 PolarHBondContact OD2-NZ 2.99Å; L491-K494 PolarHBondContact O-N 3.4Å; L492-K494 PolarHBondContact O-N 3.28Å; K494-A497 PolarHBondContact O-N 2.67Å; K494-F498 WeakPolarHBondContact O-CB 3.45Å; K494-F498 PolarHBondContact O-N 3.14Å
495L90.8Very high83.4Confident3 Ų338 Ų382%0.01620%0.204CC..Hα-helixtrans-66.4-38.5172.9-174.162.9000111.3V460 L491 L492 F498 I499 M528 F532V460-L495 HydrophobicContact CG1-CD1 4.17Å; L491-L495 VanDerWaalsContact O-CB 3.25Å; L491-L495 WeakPolarHBondContact O-CB 3.4Å; L491-L495 PolarHBondContact O-N 3.14Å; L492-L495 PolarHBondContact O-N 2.74Å; L495-F498 WeakPolarHBondContact O-CB 3.33Å; L495-F498 PolarHBondContact O-N 3.42Å; L495-I499 HydrophobicContact CG-CD1 4.46Å; L495-I499 VanDerWaalsContact O-CG1 3.31Å; L495-I499 WeakPolarHBondContact O-CG1 3.24Å; L495-I499 PolarHBondContact O-N 3.5Å; L495-M528 HydrophobicContact CD1-CG 4.35Å; L495-M528 HydrophobicContact CD1-SD 4.43Å; L495-F532 HydrophobicContact CD2-CB 4.15Å; L495-F532 HydrophobicContact CD2-CD2 4.35Å; L495-F532 HydrophobicContact CG-CD2 4.5Å
496W91.3Very high82.2Confident10 Ų1038.3 Ų38.34%0.03821%0.209CC..Hα-helixtrans-64.1-45.5172.8179.9-118.2000112.2L492 P493 F498 I499 C500 F532 I563 F566L492-W496 PolarHBondContact O-N 3.46Å; P493-W496 WeakPolarHBondContact O-CB 3.3Å; P493-W496 PolarHBondContact O-N 3.1Å; W496-F498 VanDerWaalsContact C-N 3.27Å; W496-F498 PolarHBondContact O-N 2.85Å; W496-I499 HydrophobicContact CE3-CB 4.34Å; W496-I499 HydrophobicContact CE3-CD1 4.33Å; W496-I499 HydrophobicContact CE3-CG2 4.3Å; W496-I499 HydrophobicContact CZ3-CG2 4.12Å; W496-I499 WeakPolarHBondContact O-CB 3.23Å; W496-I499 PolarHBondContact O-N 3.06Å; W496-I499 VanDerWaalsContact O-N 3.16Å; W496-C500 VanDerWaalsContact CE2-SG 3.58Å; W496-C500 PolarHBondContact O-N 2.9Å; W496-C500 PolarHBondContact O-SG 3.31Å; W496-F532 HydrophobicContact CB-CD2 4.49Å; W496-F532 HydrophobicContact CB-CE2 3.65Å; W496-F532 HydrophobicContact CB-CZ 3.77Å; W496-F532 HydrophobicContact CD2-CE1 4.17Å; W496-F532 AromaticContact CD2-CZ 3.9Å; W496-F532 HydrophobicContact CD2-CZ 3.9Å; W496-F532 HydrophobicContact CE3-CD1 4.02Å; W496-F532 AromaticContact CE3-CE1 3.38Å; W496-F532 HydrophobicContact CE3-CE1 3.38Å; W496-F532 HydrophobicContact CE3-CE2 4.31Å; W496-F532 AromaticContact CE3-CZ 3.56Å; W496-F532 HydrophobicContact CE3-CZ 3.56Å; W496-F532 HydrophobicContact CG-CE2 4.38Å; W496-F532 HydrophobicContact CG-CZ 4Å; W496-F532 HydrophobicContact CZ3-CD1 4.41Å; W496-F532 AromaticContact CZ3-CE1 3.86Å; W496-F532 HydrophobicContact CZ3-CE1 3.86Å; W496-F532 HydrophobicContact CZ3-CZ 4.44Å; W496-I563 HydrophobicContact CD2-CD1 4.18Å; W496-I563 HydrophobicContact CD2-CG1 3.64Å; W496-I563 HydrophobicContact CE3-CG1 4.19Å; W496-I563 HydrophobicContact CG-CD1 4.12Å; W496-I563 HydrophobicContact CG-CG1 4.07Å; W496-I563 HydrophobicContact CH2-CG1 4.11Å; W496-I563 HydrophobicContact CZ2-CB 4.25Å; W496-I563 HydrophobicContact CZ2-CG1 3.54Å; W496-I563 HydrophobicContact CZ3-CG1 4.41Å; W496-F566 HydrophobicContact CH2-CB 3.89Å; W496-F566 AromaticContact CH2-CD1 3.93Å; W496-F566 HydrophobicContact CH2-CD1 3.93Å; W496-F566 HydrophobicContact CH2-CD2 4.26Å; W496-F566 AromaticContact CH2-CG 3.77Å; W496-F566 HydrophobicContact CH2-CG 3.77Å; W496-F566 HydrophobicContact CZ2-CB 4.46Å; W496-F566 HydrophobicContact CZ3-CD1 4.31Å
497A87.7Confident81.6Confident35 Ų3538 Ų3829%0.28921%0.206SC..Hα-helixtrans-58.2-42.317400000111L405 P493 K494 C500 E501L405-A497 HydrophobicContact CD2-CB 4.46Å; P493-A497 PolarHBondContact O-N 2.66Å; K494-A497 PolarHBondContact O-N 2.67Å; A497-C500 WeakPolarHBondContact O-CB 3.35Å; A497-C500 PolarHBondContact O-N 3.27Å; A497-E501 WeakPolarHBondContact O-CG 3.45Å; A497-E501 PolarHBondContact O-N 3.28Å
498F87.7Confident81.7Confident5 Ų531.7 Ų31.72%0.02218%0.178CC..Hα-helixtrans-61.5-43174.6-174.5-90.4000112.7V400 K450 V457 V460 K494 L495 W496 C500 E501 M528V400-F498 HydrophobicContact CG2-CD2 4.22Å; V400-F498 HydrophobicContact CG2-CG 4.43Å; K450-F498 HydrophobicContact CD-CE2 4.25Å; V457-F498 HydrophobicContact CB-CZ 4.35Å; V457-F498 HydrophobicContact CG2-CE1 4.3Å; V457-F498 HydrophobicContact CG2-CZ 3.72Å; V460-F498 HydrophobicContact CB-CE1 4.1Å; V460-F498 HydrophobicContact CB-CZ 4.07Å; V460-F498 HydrophobicContact CG1-CD1 4.27Å; V460-F498 HydrophobicContact CG1-CE1 3.9Å; V460-F498 HydrophobicContact CG1-CZ 4.31Å; V460-F498 HydrophobicContact CG2-CE1 4.38Å; V460-F498 HydrophobicContact CG2-CE2 4.28Å; V460-F498 HydrophobicContact CG2-CZ 3.95Å; K494-F498 WeakPolarHBondContact O-CB 3.45Å; K494-F498 PolarHBondContact O-N 3.14Å; L495-F498 WeakPolarHBondContact O-CB 3.33Å; L495-F498 PolarHBondContact O-N 3.42Å; W496-F498 VanDerWaalsContact C-N 3.27Å; W496-F498 PolarHBondContact O-N 2.85Å; F498-C500 VanDerWaalsContact C-N 3.28Å; F498-C500 PolarHBondContact O-N 3.47Å; F498-E501 WeakPolarHBondContact O-CB 3.35Å; F498-E501 PolarHBondContact O-N 3.12Å; F498-M528 HydrophobicContact CD1-SD 4.07Å; F498-M528 HydrophobicContact CE1-SD 4.06Å
499I88.3Confident81.8Confident0 Ų038.4 Ų38.40%021%0.206CC..Hα-helixtrans-60.4-41173.9-70.8165.9000110.5L495 W496 E501 L502 F511 M528 F532L495-I499 HydrophobicContact CG-CD1 4.46Å; L495-I499 VanDerWaalsContact O-CG1 3.31Å; L495-I499 WeakPolarHBondContact O-CG1 3.24Å; L495-I499 PolarHBondContact O-N 3.5Å; W496-I499 HydrophobicContact CE3-CB 4.34Å; W496-I499 HydrophobicContact CE3-CD1 4.33Å; W496-I499 HydrophobicContact CE3-CG2 4.3Å; W496-I499 HydrophobicContact CZ3-CG2 4.12Å; W496-I499 WeakPolarHBondContact O-CB 3.23Å; W496-I499 PolarHBondContact O-N 3.06Å; W496-I499 VanDerWaalsContact O-N 3.16Å; I499-E501 VanDerWaalsContact C-N 3.31Å; I499-E501 PolarHBondContact O-N 3Å; I499-L502 WeakPolarHBondContact O-CB 3.48Å; I499-L502 PolarHBondContact O-N 3.46Å; I499-F511 HydrophobicContact CG2-CE2 3.71Å; I499-F511 HydrophobicContact CG2-CZ 3.94Å; I499-M528 HydrophobicContact CD1-CG 4.4Å; I499-M528 HydrophobicContact CG1-CE 4.12Å; I499-M528 HydrophobicContact CG1-CG 4.33Å; I499-M528 HydrophobicContact CG1-SD 4.21Å; I499-F532 HydrophobicContact CD1-CB 3.9Å; I499-F532 HydrophobicContact CD1-CD1 4.24Å; I499-F532 HydrophobicContact CD1-CD2 4.46Å; I499-F532 HydrophobicContact CD1-CG 3.93Å
500C85.2Confident82.2Confident47 Ų4735.3 Ų35.332%0.31819%0.19SC..Hα-helixtrans-64.7-32.2177.4-67.10000113.5W496 A497 F498 L502 G503W496-C500 VanDerWaalsContact CE2-SG 3.58Å; W496-C500 PolarHBondContact O-N 2.9Å; W496-C500 PolarHBondContact O-SG 3.31Å; A497-C500 WeakPolarHBondContact O-CB 3.35Å; A497-C500 PolarHBondContact O-N 3.27Å; F498-C500 VanDerWaalsContact C-N 3.28Å; F498-C500 PolarHBondContact O-N 3.47Å; C500-L502 PolarHBondContact O-N 3.19Å; C500-G503 VanDerWaalsContact O-O 3.14Å
501E83.4Confident82.4Confident65 Ų6531.6 Ų31.630%0.30417%0.17SC..THydrogen-bonded Turntrans-67.6-12.9175.9-71.7178.8174.500113.8K403 G449 K450 A497 F498 I499 G503K403-E501 IonicContact NZ-OE1 3.16Å; K403-E501 PolarHBondContact NZ-OE1 3.29Å; K403-E501 IonicContact NZ-OE2 3.98Å; K403-E501 PolarHBondContact NZ-OE2 3.22Å; G449-E501 CarbonylContact C-O 3.55Å; G449-E501 WeakPolarHBondContact CA-O 3.37Å; K450-E501 WeakPolarHBondContact CD-OE2 3.27Å; K450-E501 WeakPolarHBondContact CE-OE2 3.42Å; K450-E501 PolarHBondContact N-O 2.86Å; K450-E501 IonicContact NZ-OE2 3.88Å; K450-E501 PolarHBondContact NZ-OE2 3.47Å; A497-E501 WeakPolarHBondContact O-CG 3.45Å; A497-E501 PolarHBondContact O-N 3.28Å; F498-E501 WeakPolarHBondContact O-CB 3.35Å; F498-E501 PolarHBondContact O-N 3.12Å; I499-E501 VanDerWaalsContact C-N 3.31Å; I499-E501 PolarHBondContact O-N 3Å; E501-G503 VanDerWaalsContact C-N 3.31Å; E501-G503 PolarHBondContact O-N 3.06Å
502L80.7Confident82.3Confident1 Ų132 Ų321%0.00517%0.172CC..THydrogen-bonded Turntrans-79.3-11-178.6-61172.7000113.6P446 V457 I499 C500 L510 F511 L525 M528P446-L502 VanDerWaalsContact CB-O 3.28Å; P446-L502 WeakPolarHBondContact CB-O 3.37Å; V457-L502 HydrophobicContact CG1-CD2 4.18Å; V457-L502 HydrophobicContact CG2-CD2 3.82Å; I499-L502 WeakPolarHBondContact O-CB 3.48Å; I499-L502 PolarHBondContact O-N 3.46Å; C500-L502 PolarHBondContact O-N 3.19Å; L502-L510 HydrophobicContact CB-CD2 4.02Å; L502-F511 HydrophobicContact CD1-CZ 4.38Å; L502-L525 HydrophobicContact CD1-CD2 4.36Å; L502-M528 HydrophobicContact CD1-CE 3.45Å; L502-M528 VanDerWaalsContact CD1-CE 3.45Å
503G72.8Confident82Confident10 Ų1035.2 Ų35.210%0.10319%0.187CC..SBendtrans165.4170.6173.700000114.6C500 E501 G506 G507C500-G503 VanDerWaalsContact O-O 3.14Å; E501-G503 VanDerWaalsContact C-N 3.31Å; E501-G503 PolarHBondContact O-N 3.06Å; G503-G506 PolarHBondContact O-N 3.08Å; G503-G507 PolarHBondContact O-N 3.07Å
504P63.6Low81.9Confident85 Ų8535.3 Ų35.355%0.55219%0.188SC*.THydrogen-bonded Turntrans-60.9145.4-178.525.5-33.4000111.7
505Q61.8Low81.7Confident166 Ų16634 Ų3478%0.77618%0.182SC*.THydrogen-bonded Turntrans57.845.1-173.7-56.6-179-12.700113.7G507 L508Q505-G507 VanDerWaalsContact C-N 3.3Å; Q505-G507 PolarHBondContact O-N 3.35Å; Q505-L508 WeakPolarHBondContact O-CB 3.49Å; Q505-L508 PolarHBondContact O-N 3.46Å
506G63.1Low81.2Confident11 Ų1139.1 Ų39.111%0.11321%0.209CC..THydrogen-bonded Turntrans72.521175.500000114.3G503 L508 F566G503-G506 PolarHBondContact O-N 3.08Å; G506-L508 VanDerWaalsContact C-N 3.27Å; G506-L508 PolarHBondContact O-N 3.47Å; G506-F566 VanDerWaalsContact O-CE2 3.24Å; G506-F566 WeakPolarHBondContact O-CE2 3.44Å
507G74.3Confident80.8Confident1 Ų143 Ų431%0.0123%0.231CC..THydrogen-bonded Turntrans71.214.2-173.400000114.8G503 Q505 K509 L510 F511G503-G507 PolarHBondContact O-N 3.07Å; Q505-G507 VanDerWaalsContact C-N 3.3Å; Q505-G507 PolarHBondContact O-N 3.35Å; G507-K509 VanDerWaalsContact C-N 3.27Å; G507-K509 PolarHBondContact O-N 3.07Å; G507-K509 VanDerWaalsContact O-N 3.14Å; G507-L510 WeakPolarHBondContact O-CA 3.44Å; G507-L510 VanDerWaalsContact O-CB 3.28Å; G507-L510 WeakPolarHBondContact O-CB 3.17Å; G507-L510 PolarHBondContact O-N 2.99Å; G507-F511 VanDerWaalsContact O-CD2 3.25Å; G507-F511 WeakPolarHBondContact O-CD2 3.4Å; G507-F511 PolarHBondContact O-N 3.35Å; G507-F511 VanDerWaalsContact O-N 3.11Å
508L83.8Confident80.3Confident6 Ų647.5 Ų47.53%0.03125%0.25CC..Hα-helixtrans-50.3-45.3-175.8179.574.1000113.1Q505 G506 L510 F511 M512 F566 T569 F570Q505-L508 WeakPolarHBondContact O-CB 3.49Å; Q505-L508 PolarHBondContact O-N 3.46Å; G506-L508 VanDerWaalsContact C-N 3.27Å; G506-L508 PolarHBondContact O-N 3.47Å; L508-L510 VanDerWaalsContact C-N 3.32Å; L508-L510 PolarHBondContact O-N 3.42Å; L508-F511 PolarHBondContact O-N 2.91Å; L508-M512 WeakPolarHBondContact O-CB 3.47Å; L508-M512 VanDerWaalsContact O-CG 3.24Å; L508-M512 WeakPolarHBondContact O-CG 3.34Å; L508-M512 PolarHBondContact O-N 3.17Å; L508-M512 VanDerWaalsContact O-N 3.09Å; L508-F566 HydrophobicContact CB-CD2 3.99Å; L508-F566 HydrophobicContact CB-CE2 3.81Å; L508-F566 HydrophobicContact CD1-CD2 4.06Å; L508-F566 HydrophobicContact CD1-CE2 3.93Å; L508-F566 HydrophobicContact CD1-CZ 4.4Å; L508-T569 HydrophobicContact CD1-CG2 4.45Å; L508-T569 HydrophobicContact CD2-CG2 3.48Å; L508-T569 VanDerWaalsContact CD2-CG2 3.48Å; L508-F570 HydrophobicContact CD1-CB 3.84Å; L508-F570 HydrophobicContact CD1-CD2 3.86Å; L508-F570 HydrophobicContact CD1-CG 4.37Å
509K83.6Confident80.2Confident148 Ų14849.4 Ų49.464%0.64326%0.262SS*.Hα-helixtrans-62.4-40.7178.9-173-179.9173.8-173.10111.8G507 M512 E513G507-K509 VanDerWaalsContact C-N 3.27Å; G507-K509 PolarHBondContact O-N 3.07Å; G507-K509 VanDerWaalsContact O-N 3.14Å; K509-M512 PolarHBondContact O-N 3.14Å; K509-E513 WeakPolarHBondContact CE-OE1 3.36Å; K509-E513 WeakPolarHBondContact O-CG 3.37Å; K509-E513 PolarHBondContact O-N 2.91Å
510L85.6Confident79.9Confident25 Ų2554.9 Ų54.913%0.13129%0.288CS..Hα-helixtrans-61.7-52.6178.5176.968.7000110.8L444 V452 L502 G507 L508 M512 E513 C514L444-L510 HydrophobicContact CD2-CD1 4.27Å; V452-L510 HydrophobicContact CG2-CD1 4.12Å; V452-L510 HydrophobicContact CG2-CD2 3.8Å; L502-L510 HydrophobicContact CB-CD2 4.02Å; G507-L510 WeakPolarHBondContact O-CA 3.44Å; G507-L510 VanDerWaalsContact O-CB 3.28Å; G507-L510 WeakPolarHBondContact O-CB 3.17Å; G507-L510 PolarHBondContact O-N 2.99Å; L508-L510 VanDerWaalsContact C-N 3.32Å; L508-L510 PolarHBondContact O-N 3.42Å; L510-M512 VanDerWaalsContact C-N 3.31Å; L510-M512 PolarHBondContact O-N 3.45Å; L510-E513 WeakPolarHBondContact O-CB 3.46Å; L510-E513 PolarHBondContact O-N 3.1Å; L510-E513 VanDerWaalsContact O-N 3.08Å; L510-C514 PolarHBondContact O-N 3.01Å; L510-C514 PolarHBondContact O-SG 2.69Å; L510-C514 VanDerWaalsContact O-SG 3.32Å
511F88.6Confident79.8Confident0 Ų057 Ų570%029%0.293CS..Hα-helixtrans-64.9-34.2-178.9-65.3-70.9000112.9I499 L502 G507 L508 E513 C514 L515 L525 L526 M528 L529 F566 F570I499-F511 HydrophobicContact CG2-CE2 3.71Å; I499-F511 HydrophobicContact CG2-CZ 3.94Å; L502-F511 HydrophobicContact CD1-CZ 4.38Å; G507-F511 VanDerWaalsContact O-CD2 3.25Å; G507-F511 WeakPolarHBondContact O-CD2 3.4Å; G507-F511 PolarHBondContact O-N 3.35Å; G507-F511 VanDerWaalsContact O-N 3.11Å; L508-F511 PolarHBondContact O-N 2.91Å; F511-E513 VanDerWaalsContact C-N 3.34Å; F511-C514 WeakPolarHBondContact O-CB 3.35Å; F511-C514 PolarHBondContact O-N 2.94Å; F511-L515 PolarHBondContact O-N 2.97Å; F511-L525 HydrophobicContact CE1-CB 4.22Å; F511-L525 WeakPolarHBondContact CE1-O 3.25Å; F511-L526 HydrophobicContact CD1-CD2 4.23Å; F511-M528 HydrophobicContact CE1-CE 4.42Å; F511-M528 HydrophobicContact CZ-CE 4.16Å; F511-L529 HydrophobicContact CB-CD2 4.43Å; F511-L529 HydrophobicContact CD1-CB 4.36Å; F511-L529 HydrophobicContact CD1-CD2 4.18Å; F511-L529 HydrophobicContact CD2-CD2 4.44Å; F511-L529 HydrophobicContact CE1-CB 4.07Å; F511-L529 HydrophobicContact CG-CD2 4.11Å; F511-L529 HydrophobicContact CZ-CB 4.45Å; F511-F566 HydrophobicContact CD2-CE2 4.29Å; F511-F566 AromaticContact CD2-CZ 3.92Å; F511-F566 HydrophobicContact CD2-CZ 3.92Å; F511-F566 HydrophobicContact CE2-CZ 4.37Å; F511-F570 HydrophobicContact CB-CD2 4.43Å; F511-F570 HydrophobicContact CB-CE2 3.61Å; F511-F570 HydrophobicContact CB-CZ 4.38Å
512M87.3Confident79.9Confident15 Ų1554.3 Ų54.37%0.07428%0.282CS..Hα-helixtrans-66.9-33.6173-69.3-59.6-5300112.7L508 K509 L510 L515 N516 F570 K573 I579L508-M512 WeakPolarHBondContact O-CB 3.47Å; L508-M512 VanDerWaalsContact O-CG 3.24Å; L508-M512 WeakPolarHBondContact O-CG 3.34Å; L508-M512 PolarHBondContact O-N 3.17Å; L508-M512 VanDerWaalsContact O-N 3.09Å; K509-M512 PolarHBondContact O-N 3.14Å; L510-M512 VanDerWaalsContact C-N 3.31Å; L510-M512 PolarHBondContact O-N 3.45Å; M512-L515 HydrophobicContact CE-CD1 4.31Å; M512-L515 HydrophobicContact SD-CD1 4.05Å; M512-N516 PolarHBondContact O-ND2 3.42Å; M512-F570 HydrophobicContact CG-CD2 4.26Å; M512-F570 HydrophobicContact CG-CE2 4.33Å; M512-F570 HydrophobicContact SD-CD2 3.69Å; M512-F570 HydrophobicContact SD-CE2 3.75Å; M512-F570 HydrophobicContact SD-CG 4.33Å; M512-F570 HydrophobicContact SD-CZ 4.48Å; M512-K573 HydrophobicContact CE-CB 3.53Å; M512-K573 HydrophobicContact CE-CD 4.35Å; M512-K573 HydrophobicContact CG-CD 4.33Å; M512-K573 HydrophobicContact SD-CB 3.98Å; M512-K573 HydrophobicContact SD-CD 4.42Å; M512-I579 HydrophobicContact CE-CD1 3.84Å
513E84.7Confident80.2Confident73 Ų7356.8 Ų56.834%0.34129%0.292SS..Hα-helixtrans-71-40.6172.5-73.7173.3-171.700111.3K509 L510 F511 L515 N516 N517K509-E513 WeakPolarHBondContact CE-OE1 3.36Å; K509-E513 WeakPolarHBondContact O-CG 3.37Å; K509-E513 PolarHBondContact O-N 2.91Å; L510-E513 WeakPolarHBondContact O-CB 3.46Å; L510-E513 PolarHBondContact O-N 3.1Å; L510-E513 VanDerWaalsContact O-N 3.08Å; F511-E513 VanDerWaalsContact C-N 3.34Å; E513-L515 VanDerWaalsContact C-N 3.27Å; E513-L515 PolarHBondContact O-N 3.13Å; E513-N516 PolarHBondContact O-N 3.08Å; E513-N517 PolarHBondContact O-N 3.22Å; E513-N517 PolarHBondContact O-ND2 3.44Å
514C86.6Confident81Confident7 Ų758.5 Ų58.55%0.04730%0.298CS..Hα-helixtrans-58.4-35.9173.2-680000112.4L510 F511 N516 N517 L526L510-C514 PolarHBondContact O-N 3.01Å; L510-C514 PolarHBondContact O-SG 2.69Å; L510-C514 VanDerWaalsContact O-SG 3.32Å; F511-C514 WeakPolarHBondContact O-CB 3.35Å; F511-C514 PolarHBondContact O-N 2.94Å; C514-N516 PolarHBondContact O-N 3.18Å; C514-N517 PolarHBondContact O-N 3.32Å; C514-L526 HydrophobicContact CB-CD2 4.03Å; C514-L526 HydrophobicContact CB-CG 4.18Å
515L84.4Confident82.2Confident0 Ų054.7 Ų54.70%027%0.272CS..Hα-helixtrans-62.2-27.4174.9-82.2174.6000113.9F511 M512 E513 L526 F570 M574 I579 K587 L590F511-L515 PolarHBondContact O-N 2.97Å; M512-L515 HydrophobicContact CE-CD1 4.31Å; M512-L515 HydrophobicContact SD-CD1 4.05Å; E513-L515 VanDerWaalsContact C-N 3.27Å; E513-L515 PolarHBondContact O-N 3.13Å; L515-L526 HydrophobicContact CD2-CD1 4.18Å; L515-L526 HydrophobicContact CG-CD2 4.38Å; L515-F570 HydrophobicContact CD1-CE1 4.2Å; L515-F570 HydrophobicContact CD1-CE2 4.1Å; L515-F570 HydrophobicContact CD1-CZ 3.59Å; L515-F570 HydrophobicContact CG-CZ 4.29Å; L515-M574 HydrophobicContact CD1-CE 3.99Å; L515-M574 HydrophobicContact CD1-CG 3.68Å; L515-M574 HydrophobicContact CD1-SD 4.02Å; L515-M574 HydrophobicContact CD2-CE 4.03Å; L515-I579 HydrophobicContact CB-CD1 4.34Å; L515-I579 HydrophobicContact CD1-CD1 4.23Å; L515-K587 HydrophobicContact CD2-CG 4.4Å; L515-K587 WeakPolarHBondContact O-CE 3.4Å; L515-K587 PolarHBondContact O-NZ 3.32Å; L515-L590 HydrophobicContact CD2-CD2 3.65Å; L515-L590 HydrophobicContact CG-CD2 4.4Å
516N81.9Confident83.7Confident112 Ų11247.5 Ų47.560%0.59924%0.239SC*.Hα-helixtrans-90.1-18.1179.6-69.8-55.9000112.8M512 E513 C514M512-N516 PolarHBondContact O-ND2 3.42Å; E513-N516 PolarHBondContact O-N 3.08Å; C514-N516 PolarHBondContact O-N 3.18Å
517N81.4Confident85Confident91 Ų9147.6 Ų47.649%0.48724%0.239SC..  trans-108.1122.3-177.1-65.1-24.8000110.8E513 C514 T519 S522E513-N517 PolarHBondContact O-N 3.22Å; E513-N517 PolarHBondContact O-ND2 3.44Å; C514-N517 PolarHBondContact O-N 3.32Å; N517-T519 VanDerWaalsContact C-N 3.31Å; N517-T519 PolarHBondContact O-N 2.92Å; N517-S522 WeakPolarHBondContact O-CB 3.38Å
518D77.3Confident86Confident129 Ų12947.6 Ų47.669%0.6924%0.239SC*.  trans-93.255179.7-164.823.5000111.6K523D518-K523 WeakPolarHBondContact OD1-CE 3.01Å; D518-K523 IonicContact OD1-NZ 3.03Å
519T85.7Confident86.5Confident46 Ų4647.3 Ų47.328%0.28224%0.237SC..  trans-101.3153.7175.278.60000111N517 E521 S522 K523N517-T519 VanDerWaalsContact C-N 3.31Å; N517-T519 PolarHBondContact O-N 2.92Å; T519-E521 VanDerWaalsContact C-N 3.28Å; T519-E521 WeakPolarHBondContact CB-OE2 3.4Å; T519-E521 PolarHBondContact O-N 3.48Å; T519-E521 PolarHBondContact OG1-OE2 3.12Å; T519-S522 WeakPolarHBondContact O-CB 3.3Å; T519-S522 PolarHBondContact O-N 3.25Å; T519-S522 PolarHBondContact OG1-N 2.87Å; T519-S522 PolarHBondContact OG1-OG 2.85Å; T519-K523 PolarHBondContact O-N 3.29Å
520E82.1Confident87Confident114 Ų11440.9 Ų40.953%0.53321%0.21SC..Hα-helixtrans-60.7-37.3178.6-68-57.1125.200112S522 K523 Q524E520-S522 VanDerWaalsContact C-N 3.27Å; E520-S522 PolarHBondContact O-N 3.04Å; E520-K523 PolarHBondContact O-N 3Å; E520-K523 IonicContact OE1-NZ 3.74Å; E520-K523 PolarHBondContact OE1-NZ 3.46Å; E520-Q524 VanDerWaalsContact O-CG 3.29Å; E520-Q524 WeakPolarHBondContact O-CG 3.41Å; E520-Q524 PolarHBondContact O-N 3.34Å
521E83.4Confident87.4Confident91 Ų9139.9 Ų39.943%0.42521%0.205SC..Hα-helixtrans-64.6-34.9175.4-52.283.1178.200111.7T519 L525T519-E521 VanDerWaalsContact C-N 3.28Å; T519-E521 WeakPolarHBondContact CB-OE2 3.4Å; T519-E521 PolarHBondContact O-N 3.48Å; T519-E521 PolarHBondContact OG1-OE2 3.12Å; E521-L525 WeakPolarHBondContact O-CG 3.34Å; E521-L525 PolarHBondContact O-N 3.29Å; E521-L525 VanDerWaalsContact O-N 3.14Å
522S85.9Confident87.8Confident10 Ų1039.9 Ų39.97%0.0721%0.205CC..Hα-helixtrans-66.7-43.9176.1-58.80000110.6N517 T519 E520 Q524 L525 L526N517-S522 WeakPolarHBondContact O-CB 3.38Å; T519-S522 WeakPolarHBondContact O-CB 3.3Å; T519-S522 PolarHBondContact O-N 3.25Å; T519-S522 PolarHBondContact OG1-N 2.87Å; T519-S522 PolarHBondContact OG1-OG 2.85Å; E520-S522 VanDerWaalsContact C-N 3.27Å; E520-S522 PolarHBondContact O-N 3.04Å; S522-Q524 PolarHBondContact O-N 3.46Å; S522-L525 PolarHBondContact O-N 3.04Å; S522-L526 VanDerWaalsContact O-CG 3.28Å; S522-L526 WeakPolarHBondContact O-CG 3.49Å; S522-L526 PolarHBondContact O-N 3.43Å
523K86.9Confident88.2Confident52 Ų5239.2 Ų39.223%0.22620%0.201CC..Hα-helixtrans-61.7-42.8176.6-64.6177.5-173.9165.60112.2D518 T519 E520 L525 L526 A527 E586D518-K523 WeakPolarHBondContact OD1-CE 3.01Å; D518-K523 IonicContact OD1-NZ 3.03Å; T519-K523 PolarHBondContact O-N 3.29Å; E520-K523 PolarHBondContact O-N 3Å; E520-K523 IonicContact OE1-NZ 3.74Å; E520-K523 PolarHBondContact OE1-NZ 3.46Å; K523-L525 PolarHBondContact O-N 3.48Å; K523-L526 PolarHBondContact O-N 2.84Å; K523-A527 WeakPolarHBondContact O-CB 3.21Å; K523-A527 PolarHBondContact O-N 3.43Å; K523-E586 WeakPolarHBondContact CD-OE2 3.46Å; K523-E586 WeakPolarHBondContact CG-OE2 3.47Å
524Q89.3Confident88.6Confident47 Ų4736 Ų3622%0.2219%0.187CC..Hα-helixtrans-60.7-42.3177.3-73.4179.4-1.500112.6C461 V465 E520 S522 A527 M528C461-Q524 HydrophobicContact CB-CB 4.02Å; V465-Q524 HydrophobicContact CG2-CB 4.31Å; V465-Q524 HydrophobicContact CG2-CG 4.03Å; E520-Q524 VanDerWaalsContact O-CG 3.29Å; E520-Q524 WeakPolarHBondContact O-CG 3.41Å; E520-Q524 PolarHBondContact O-N 3.34Å; S522-Q524 PolarHBondContact O-N 3.46Å; Q524-A527 PolarHBondContact O-N 2.91Å; Q524-M528 PolarHBondContact O-N 3.44Å
525L89.1Confident88.9Confident4 Ų435.9 Ų35.92%0.02119%0.185CC..Hα-helixtrans-65-43174.5-73.1164.8000112.1V452 V457 L502 F511 E521 S522 K523 A527 M528 L529V452-L525 HydrophobicContact CG1-CD1 3.71Å; V452-L525 HydrophobicContact CG1-CD2 4.36Å; V457-L525 HydrophobicContact CG1-CD2 4.37Å; L502-L525 HydrophobicContact CD1-CD2 4.36Å; F511-L525 HydrophobicContact CE1-CB 4.22Å; F511-L525 WeakPolarHBondContact CE1-O 3.25Å; E521-L525 WeakPolarHBondContact O-CG 3.34Å; E521-L525 PolarHBondContact O-N 3.29Å; E521-L525 VanDerWaalsContact O-N 3.14Å; S522-L525 PolarHBondContact O-N 3.04Å; K523-L525 PolarHBondContact O-N 3.48Å; L525-A527 VanDerWaalsContact C-N 3.31Å; L525-A527 PolarHBondContact O-N 3.29Å; L525-M528 HydrophobicContact CD2-CE 4.02Å; L525-M528 WeakPolarHBondContact O-CB 3.4Å; L525-M528 PolarHBondContact O-N 3.02Å; L525-L529 PolarHBondContact O-N 3.42Å
526L91.8Very high89.3Confident16 Ų1635.9 Ų35.98%0.08419%0.185CC..Hα-helixtrans-63.5-38.1177.3-64.9177.4000111.5F511 C514 L515 S522 K523 M528 L529 M530 L590F511-L526 HydrophobicContact CD1-CD2 4.23Å; C514-L526 HydrophobicContact CB-CD2 4.03Å; C514-L526 HydrophobicContact CB-CG 4.18Å; L515-L526 HydrophobicContact CD2-CD1 4.18Å; L515-L526 HydrophobicContact CG-CD2 4.38Å; S522-L526 VanDerWaalsContact O-CG 3.28Å; S522-L526 WeakPolarHBondContact O-CG 3.49Å; S522-L526 PolarHBondContact O-N 3.43Å; K523-L526 PolarHBondContact O-N 2.84Å; L526-M528 VanDerWaalsContact C-N 3.32Å; L526-M528 PolarHBondContact O-N 3.36Å; L526-L529 PolarHBondContact O-N 3.21Å; L526-M530 VanDerWaalsContact O-CG 3.29Å; L526-M530 WeakPolarHBondContact O-CG 3.47Å; L526-M530 PolarHBondContact O-N 2.98Å; L526-L590 HydrophobicContact CB-CD2 4.29Å; L526-L590 HydrophobicContact CD1-CD2 4.19Å; L526-L590 HydrophobicContact CD2-CD2 3.73Å; L526-L590 HydrophobicContact CG-CD2 4.27Å
527A92.4Very high89.7Confident13 Ų1333 Ų3311%0.10717%0.166CC..Hα-helixtrans-62.2-35.617600000113V465 Q468 K523 Q524 L525 M530 L531V465-A527 HydrophobicContact CG2-CB 3.66Å; Q468-A527 HydrophobicContact CG-CB 4.3Å; Q468-A527 WeakPolarHBondContact CG-O 3.28Å; K523-A527 WeakPolarHBondContact O-CB 3.21Å; K523-A527 PolarHBondContact O-N 3.43Å; Q524-A527 PolarHBondContact O-N 2.91Å; L525-A527 VanDerWaalsContact C-N 3.31Å; L525-A527 PolarHBondContact O-N 3.29Å; A527-M530 PolarHBondContact O-N 2.89Å; A527-L531 WeakPolarHBondContact O-CB 3.31Å; A527-L531 PolarHBondContact O-N 3.5Å
528M93.6Very high90Very high0 Ų029.7 Ų29.70%015%0.148CC..Hα-helixtrans-63-45.7172.3173.6177.26500111.8V460 C464 L495 F498 I499 L502 F511 Q524 L525 L526 M530 L531 F532V460-M528 HydrophobicContact CG1-SD 4.16Å; C464-M528 HydrophobicContact CB-CB 3.94Å; L495-M528 HydrophobicContact CD1-CG 4.35Å; L495-M528 HydrophobicContact CD1-SD 4.43Å; F498-M528 HydrophobicContact CD1-SD 4.07Å; F498-M528 HydrophobicContact CE1-SD 4.06Å; I499-M528 HydrophobicContact CD1-CG 4.4Å; I499-M528 HydrophobicContact CG1-CE 4.12Å; I499-M528 HydrophobicContact CG1-CG 4.33Å; I499-M528 HydrophobicContact CG1-SD 4.21Å; L502-M528 HydrophobicContact CD1-CE 3.45Å; L502-M528 VanDerWaalsContact CD1-CE 3.45Å; F511-M528 HydrophobicContact CE1-CE 4.42Å; F511-M528 HydrophobicContact CZ-CE 4.16Å; Q524-M528 PolarHBondContact O-N 3.44Å; L525-M528 HydrophobicContact CD2-CE 4.02Å; L525-M528 WeakPolarHBondContact O-CB 3.4Å; L525-M528 PolarHBondContact O-N 3.02Å; L526-M528 VanDerWaalsContact C-N 3.32Å; L526-M528 PolarHBondContact O-N 3.36Å; M528-M530 VanDerWaalsContact C-N 3.33Å; M528-M530 PolarHBondContact O-N 3.33Å; M528-L531 PolarHBondContact O-N 2.71Å; M528-F532 WeakPolarHBondContact O-CB 3.21Å; M528-F532 PolarHBondContact O-N 2.69Å
529L94.3Very high90.5Very high0 Ų024.2 Ų24.20%012%0.118CC..Hα-helixtrans-63.6-39.9175.8-179.860000111.6F511 L525 L526 F532 C533 F566 F570 L590 V594F511-L529 HydrophobicContact CB-CD2 4.43Å; F511-L529 HydrophobicContact CD1-CB 4.36Å; F511-L529 HydrophobicContact CD1-CD2 4.18Å; F511-L529 HydrophobicContact CD2-CD2 4.44Å; F511-L529 HydrophobicContact CE1-CB 4.07Å; F511-L529 HydrophobicContact CG-CD2 4.11Å; F511-L529 HydrophobicContact CZ-CB 4.45Å; L525-L529 PolarHBondContact O-N 3.42Å; L526-L529 PolarHBondContact O-N 3.21Å; L529-F532 PolarHBondContact O-N 2.79Å; L529-C533 PolarHBondContact O-N 3.34Å; L529-C533 PolarHBondContact O-SG 3.07Å; L529-F566 HydrophobicContact CD1-CE1 3.87Å; L529-F566 HydrophobicContact CD1-CZ 4.28Å; L529-F566 HydrophobicContact CD2-CE1 4.2Å; L529-F566 HydrophobicContact CD2-CZ 4.23Å; L529-F570 HydrophobicContact CD2-CE1 4.44Å; L529-F570 HydrophobicContact CD2-CE2 4.27Å; L529-F570 HydrophobicContact CD2-CZ 4.09Å; L529-L590 HydrophobicContact CD2-CD1 4.23Å; L529-L590 HydrophobicContact CG-CD1 4.35Å; L529-V594 HydrophobicContact CD2-CG2 4.31Å; L529-V594 HydrophobicContact CG-CG2 4.35Å
530M94.6Very high90.6Very high13 Ų1322.2 Ų22.26%0.06411%0.106CC..Hα-helixtrans-59.5-49.3175-71.5173.762.400111.8Q468 L526 A527 M528 F532 C533 D534 E589 L590Q468-M530 HydrophobicContact CG-CB 4.42Å; L526-M530 VanDerWaalsContact O-CG 3.29Å; L526-M530 WeakPolarHBondContact O-CG 3.47Å; L526-M530 PolarHBondContact O-N 2.98Å; A527-M530 PolarHBondContact O-N 2.89Å; M528-M530 VanDerWaalsContact C-N 3.33Å; M528-M530 PolarHBondContact O-N 3.33Å; M530-F532 PolarHBondContact O-N 2.62Å; M530-C533 PolarHBondContact O-N 3.2Å; M530-D534 WeakPolarHBondContact O-CB 3.39Å; M530-D534 PolarHBondContact O-N 3.05Å; M530-E589 HydrophobicContact CE-CB 3.69Å; M530-L590 HydrophobicContact CG-CB 3.9Å; M530-L590 HydrophobicContact CG-CD1 3.39Å; M530-L590 HydrophobicContact CG-CG 4.23Å; M530-L590 HydrophobicContact SD-CB 3.8Å; M530-L590 HydrophobicContact SD-CD1 4.29Å
531L95.1Very high90.5Very high5 Ų518.9 Ų18.93%0.0269%0.093CC..Hα-helixtrans-62.4-44.2-179.7-17167.1000112.2C464 Y467 Q468 L471 L485 A527 M528 C533 D534 C535C464-L531 HydrophobicContact CB-CD2 3.99Å; Y467-L531 HydrophobicContact CD2-CD2 4.37Å; Y467-L531 HydrophobicContact CG-CD2 4.48Å; Q468-L531 HydrophobicContact CG-CB 4.02Å; Q468-L531 HydrophobicContact CG-CD1 4.36Å; Q468-L531 VanDerWaalsContact NE2-N 3.13Å; L471-L531 HydrophobicContact CD1-CD1 3.68Å; L485-L531 HydrophobicContact CD1-CD1 4.07Å; A527-L531 WeakPolarHBondContact O-CB 3.31Å; A527-L531 PolarHBondContact O-N 3.5Å; M528-L531 PolarHBondContact O-N 2.71Å; L531-C533 VanDerWaalsContact C-N 3.34Å; L531-C533 PolarHBondContact O-N 3.06Å; L531-D534 PolarHBondContact O-N 2.77Å; L531-C535 WeakPolarHBondContact O-CB 3.23Å; L531-C535 PolarHBondContact O-N 3.3Å; L531-C535 PolarHBondContact O-SG 2.84Å
532F95.3Very high90.3Very high0 Ų018.7 Ų18.70%09%0.094CC..Hα-helixtrans-57.2-48.2175172.7-103.5000111.5L492 L495 W496 I499 M528 L529 M530 S536 F555 I563L492-F532 HydrophobicContact CB-CE2 4.46Å; L495-F532 HydrophobicContact CD2-CB 4.15Å; L495-F532 HydrophobicContact CD2-CD2 4.35Å; L495-F532 HydrophobicContact CG-CD2 4.5Å; W496-F532 HydrophobicContact CB-CD2 4.49Å; W496-F532 HydrophobicContact CB-CE2 3.65Å; W496-F532 HydrophobicContact CB-CZ 3.77Å; W496-F532 HydrophobicContact CD2-CE1 4.17Å; W496-F532 AromaticContact CD2-CZ 3.9Å; W496-F532 HydrophobicContact CD2-CZ 3.9Å; W496-F532 HydrophobicContact CE3-CD1 4.02Å; W496-F532 AromaticContact CE3-CE1 3.38Å; W496-F532 HydrophobicContact CE3-CE1 3.38Å; W496-F532 HydrophobicContact CE3-CE2 4.31Å; W496-F532 AromaticContact CE3-CZ 3.56Å; W496-F532 HydrophobicContact CE3-CZ 3.56Å; W496-F532 HydrophobicContact CG-CE2 4.38Å; W496-F532 HydrophobicContact CG-CZ 4Å; W496-F532 HydrophobicContact CZ3-CD1 4.41Å; W496-F532 AromaticContact CZ3-CE1 3.86Å; W496-F532 HydrophobicContact CZ3-CE1 3.86Å; W496-F532 HydrophobicContact CZ3-CZ 4.44Å; I499-F532 HydrophobicContact CD1-CB 3.9Å; I499-F532 HydrophobicContact CD1-CD1 4.24Å; I499-F532 HydrophobicContact CD1-CD2 4.46Å; I499-F532 HydrophobicContact CD1-CG 3.93Å; M528-F532 WeakPolarHBondContact O-CB 3.21Å; M528-F532 PolarHBondContact O-N 2.69Å; L529-F532 PolarHBondContact O-N 2.79Å; M530-F532 PolarHBondContact O-N 2.62Å; F532-S536 VanDerWaalsContact CE2-OG 3.3Å; F532-S536 WeakPolarHBondContact CE2-OG 3.31Å; F532-S536 WeakPolarHBondContact O-CB 3.15Å; F532-S536 PolarHBondContact O-N 3.45Å; F532-S536 PolarHBondContact O-OG 3Å; F532-F555 HydrophobicContact CE2-CE1 4.18Å; F532-F555 AromaticContact CE2-CZ 3.86Å; F532-F555 HydrophobicContact CE2-CZ 3.86Å; F532-F555 HydrophobicContact CZ-CE1 4.28Å; F532-F555 HydrophobicContact CZ-CZ 4.1Å; F532-I563 HydrophobicContact CE1-CG2 4.45Å; F532-I563 HydrophobicContact CZ-CD1 3.98Å; F532-I563 HydrophobicContact CZ-CG1 4.37Å
533C95.5Very high90Very high0 Ų018.9 Ų18.90%09%0.094CC..Hα-helixtrans-65.3-44.3-179.8-65.30000112.2L529 M530 L531 R537 S593 W597L529-C533 PolarHBondContact O-N 3.34Å; L529-C533 PolarHBondContact O-SG 3.07Å; M530-C533 PolarHBondContact O-N 3.2Å; L531-C533 VanDerWaalsContact C-N 3.34Å; L531-C533 PolarHBondContact O-N 3.06Å; C533-R537 WeakPolarHBondContact O-CB 3.17Å; C533-R537 PolarHBondContact O-N 3.2Å; C533-S593 WeakPolarHBondContact CB-O 3.49Å; C533-W597 HydrophobicContact CB-CB 4.03Å; C533-W597 HydrophobicContact CB-CG 4.47Å
534D93.4Very high89.6Confident7 Ų716.8 Ų16.84%0.0379%0.086CC..Hα-helixtrans-65-42.5179.9-98-23.9000112.6R478 L482 M530 L531 R537 H538R478-D534 IonicContact CZ-OD2 2.6Å; R478-D534 IonicContact NH2-OD1 3.68Å; R478-D534 PolarHBondContact NH2-OD1 3.01Å; R478-D534 IonicContact NH2-OD2 3.86Å; R478-D534 PolarHBondContact NH2-OD2 3.23Å; L482-D534 HydrophobicContact CD2-CB 4.24Å; M530-D534 WeakPolarHBondContact O-CB 3.39Å; M530-D534 PolarHBondContact O-N 3.05Å; L531-D534 PolarHBondContact O-N 2.77Å; D534-R537 IonicContact OD1-CZ 3.03Å; D534-R537 IonicContact OD1-NE 3.78Å; D534-R537 IonicContact OD1-NH2 3.49Å; D534-R537 PolarHBondContact OD1-NH2 3.15Å; D534-H538 WeakPolarHBondContact O-CB 3.47Å; D534-H538 PolarHBondContact O-N 3.05Å; D534-H538 VanDerWaalsContact O-N 3.11Å
535C93.1Very high89.1Confident3 Ų315.4 Ų15.42%0.028%0.08CC..Hα-helixtrans-71.4-43.7178.2-62.40000111.7T486 L492 L531 R537 H538 L539T486-C535 HydrophobicContact CG2-CB 4.09Å; T486-C535 VanDerWaalsContact CG2-O 3.3Å; T486-C535 WeakPolarHBondContact CG2-O 3.25Å; L492-C535 HydrophobicContact CD1-CB 4.02Å; L492-C535 HydrophobicContact CD2-CB 3.58Å; L492-C535 HydrophobicContact CG-CB 4.44Å; L531-C535 WeakPolarHBondContact O-CB 3.23Å; L531-C535 PolarHBondContact O-N 3.3Å; L531-C535 PolarHBondContact O-SG 2.84Å; C535-R537 VanDerWaalsContact C-N 3.33Å; C535-R537 PolarHBondContact O-N 3.22Å; C535-H538 PolarHBondContact O-N 3.46Å; C535-L539 WeakPolarHBondContact O-CB 3.27Å; C535-L539 PolarHBondContact O-N 3.44Å
536S93Very high88.7Confident0 Ų017.2 Ų17.20%09%0.089CC..Hα-helixtrans-64.1-40.9178.9-55.90000111.5F532 L539 I540F532-S536 VanDerWaalsContact CE2-OG 3.3Å; F532-S536 WeakPolarHBondContact CE2-OG 3.31Å; F532-S536 WeakPolarHBondContact O-CB 3.15Å; F532-S536 PolarHBondContact O-N 3.45Å; F532-S536 PolarHBondContact O-OG 3Å; S536-L539 PolarHBondContact O-N 3.05Å; S536-I540 WeakPolarHBondContact O-CB 3.36Å; S536-I540 WeakPolarHBondContact O-CG1 3.47Å; S536-I540 PolarHBondContact O-N 3.49Å
537R90.8Very high88.4Confident52 Ų5218.1 Ų18.120%0.1969%0.093CC..Hα-helixtrans-58.3-50.4173-178.5177.863.7109.3-5.9111.6C533 D534 C535 T541 W597 V600C533-R537 WeakPolarHBondContact O-CB 3.17Å; C533-R537 PolarHBondContact O-N 3.2Å; D534-R537 IonicContact OD1-CZ 3.03Å; D534-R537 IonicContact OD1-NE 3.78Å; D534-R537 IonicContact OD1-NH2 3.49Å; D534-R537 PolarHBondContact OD1-NH2 3.15Å; C535-R537 VanDerWaalsContact C-N 3.33Å; C535-R537 PolarHBondContact O-N 3.22Å; R537-T541 WeakPolarHBondContact O-CG2 3.44Å; R537-T541 PolarHBondContact O-N 3.24Å; R537-T541 VanDerWaalsContact O-N 3.12Å; R537-T541 PolarHBondContact O-OG1 2.75Å; R537-T541 VanDerWaalsContact O-OG1 3.04Å; R537-W597 VanDerWaalsContact CA-CE3 3.42Å; R537-W597 HydrophobicContact CB-CB 4.35Å; R537-W597 HydrophobicContact CB-CD2 4.36Å; R537-W597 HydrophobicContact CB-CE3 3.86Å; R537-W597 HydrophobicContact CG-CE3 4.4Å; R537-V600 HydrophobicContact CG-CG2 3.97Å
538H88.3Confident88.1Confident22 Ų2217.8 Ų17.810%0.1029%0.089CC..Hα-helixtrans-60.5-47.6179.1-177.477.5000112.2L482 T483 D534 C535 I540 T541 I542L482-H538 HydrophobicContact CB-CB 4.05Å; L482-H538 HydrophobicContact CD1-CB 4.19Å; T483-H538 PolarHBondContact N-NE2 3.37Å; T483-H538 PolarHBondContact OG1-NE2 2.77Å; D534-H538 WeakPolarHBondContact O-CB 3.47Å; D534-H538 PolarHBondContact O-N 3.05Å; D534-H538 VanDerWaalsContact O-N 3.11Å; C535-H538 PolarHBondContact O-N 3.46Å; H538-I540 PolarHBondContact O-N 2.96Å; H538-T541 PolarHBondContact O-N 2.75Å; H538-T541 PolarHBondContact O-OG1 3.12Å; H538-I542 WeakPolarHBondContact NE2-CD1 3.42Å; H538-I542 WeakPolarHBondContact O-CG1 3.31Å; H538-I542 PolarHBondContact O-N 3.49Å
539L87.8Confident87.7Confident14 Ų1418.8 Ų18.87%0.0739%0.093CC..Hα-helixtrans-56.7-54178.3175.562.2000111.1T486 L492 C535 S536 T541 I542 L543 F555T486-L539 HydrophobicContact CG2-CB 3.77Å; L492-L539 HydrophobicContact CD1-CB 4.32Å; L492-L539 HydrophobicContact CD1-CD2 3.84Å; C535-L539 WeakPolarHBondContact O-CB 3.27Å; C535-L539 PolarHBondContact O-N 3.44Å; S536-L539 PolarHBondContact O-N 3.05Å; L539-T541 VanDerWaalsContact C-N 3.26Å; L539-T541 PolarHBondContact O-N 3.41Å; L539-I542 WeakPolarHBondContact O-CB 3.43Å; L539-I542 PolarHBondContact O-N 3.14Å; L539-L543 HydrophobicContact CD1-CD1 3.97Å; L539-L543 HydrophobicContact CD1-CD2 4.2Å; L539-L543 HydrophobicContact CD1-CG 3.99Å; L539-L543 HydrophobicContact CD2-CD1 4.47Å; L539-L543 HydrophobicContact CG-CD1 3.9Å; L539-L543 HydrophobicContact CG-CG 4.26Å; L539-L543 WeakPolarHBondContact O-CG 3.49Å; L539-L543 PolarHBondContact O-N 3.26Å; L539-F555 HydrophobicContact CD2-CE2 4.33Å
540I86.3Confident87.3Confident3 Ų324.6 Ų24.62%0.01512%0.12CC..Hα-helixtrans-70.3-24.8-172.1-70.5-91.1000112S536 H538 I542 L543 V548 F555 L560 W597 V600 R604S536-I540 WeakPolarHBondContact O-CB 3.36Å; S536-I540 WeakPolarHBondContact O-CG1 3.47Å; S536-I540 PolarHBondContact O-N 3.49Å; H538-I540 PolarHBondContact O-N 2.96Å; I540-I542 VanDerWaalsContact C-N 3.29Å; I540-L543 HydrophobicContact CD1-CD1 4.31Å; I540-V548 HydrophobicContact CD1-CG1 4.39Å; I540-V548 HydrophobicContact CD1-CG2 4.04Å; I540-F555 HydrophobicContact CD1-CD2 4.43Å; I540-L560 HydrophobicContact CD1-CD2 4.49Å; I540-W597 HydrophobicContact CB-CH2 3.55Å; I540-W597 HydrophobicContact CB-CZ3 3.61Å; I540-W597 HydrophobicContact CD1-CH2 4.24Å; I540-W597 HydrophobicContact CG1-CH2 3.43Å; I540-W597 VanDerWaalsContact CG1-CH2 3.43Å; I540-W597 HydrophobicContact CG1-CZ2 4.27Å; I540-W597 HydrophobicContact CG1-CZ3 4.03Å; I540-W597 HydrophobicContact CG2-CH2 3.73Å; I540-W597 HydrophobicContact CG2-CZ3 3.72Å; I540-V600 HydrophobicContact CG2-CG1 3.97Å; I540-R604 PolarHBondContact O-NH2 3.08Å
541T81.6Confident86.8Confident44 Ų4428.9 Ų28.927%0.2714%0.14SC..Hα-helixtrans-72.5-19.4170.551.40000114.2R537 H538 L539 V600R537-T541 WeakPolarHBondContact O-CG2 3.44Å; R537-T541 PolarHBondContact O-N 3.24Å; R537-T541 VanDerWaalsContact O-N 3.12Å; R537-T541 PolarHBondContact O-OG1 2.75Å; R537-T541 VanDerWaalsContact O-OG1 3.04Å; H538-T541 PolarHBondContact O-N 2.75Å; H538-T541 PolarHBondContact O-OG1 3.12Å; L539-T541 VanDerWaalsContact C-N 3.26Å; L539-T541 PolarHBondContact O-N 3.41Å; T541-V600 HydrophobicContact CG2-CG1 4.17Å; T541-V600 HydrophobicContact CG2-CG2 4.14Å
542I78.6Confident86.4Confident88 Ų8832.2 Ų32.245%0.45116%0.156SC..Hα-helixtrans-91.9-33.1178.3-66.2168.1000111.2H538 L539 I540H538-I542 WeakPolarHBondContact NE2-CD1 3.42Å; H538-I542 WeakPolarHBondContact O-CG1 3.31Å; H538-I542 PolarHBondContact O-N 3.49Å; L539-I542 WeakPolarHBondContact O-CB 3.43Å; L539-I542 PolarHBondContact O-N 3.14Å; I540-I542 VanDerWaalsContact C-N 3.29Å
543L79.8Confident85.7Confident13 Ų1334 Ų347%0.06817%0.167CC..SBendtrans-70.3136.1179.5-62.8178.7000111.6L539 I540 E547 V548 R604L539-L543 HydrophobicContact CD1-CD1 3.97Å; L539-L543 HydrophobicContact CD1-CD2 4.2Å; L539-L543 HydrophobicContact CD1-CG 3.99Å; L539-L543 HydrophobicContact CD2-CD1 4.47Å; L539-L543 HydrophobicContact CG-CD1 3.9Å; L539-L543 HydrophobicContact CG-CG 4.26Å; L539-L543 WeakPolarHBondContact O-CG 3.49Å; L539-L543 PolarHBondContact O-N 3.26Å; I540-L543 HydrophobicContact CD1-CD1 4.31Å; L543-E547 WeakPolarHBondContact CA-OE2 3.49Å; L543-E547 HydrophobicContact CB-CB 4.19Å; L543-E547 HydrophobicContact CD2-CB 4.17Å; L543-V548 HydrophobicContact CB-CG2 3.51Å; L543-V548 HydrophobicContact CD1-CG2 4.02Å; L543-V548 HydrophobicContact CG-CG2 4.43Å; L543-R604 PolarHBondContact O-NH2 3.09Å
544D77.5Confident85.2Confident8 Ų835.1 Ų35.14%0.04318%0.175CC..  trans-79.7175.4173.966.447.9000112.4I546 E547 V548 K834D544-I546 VanDerWaalsContact C-N 3.29Å; D544-I546 PolarHBondContact O-N 2.81Å; D544-I546 WeakPolarHBondContact OD1-CB 3.28Å; D544-I546 PolarHBondContact OD1-N 3.47Å; D544-E547 VanDerWaalsContact CG-OE2 3.32Å; D544-E547 PolarHBondContact N-OE2 2.83Å; D544-E547 PolarHBondContact O-N 3.23Å; D544-E547 WeakPolarHBondContact OD1-CG 3.1Å; D544-E547 PolarHBondContact OD1-N 3.35Å; D544-V548 WeakPolarHBondContact O-CG2 3.33Å; D544-V548 PolarHBondContact O-N 3.06Å; D544-K834 IonicContact OD2-NZ 3.68Å; D544-K834 PolarHBondContact OD2-NZ 2.95Å
545D79.4Confident85Confident19 Ų1935 Ų3510%0.10217%0.174CC..Hα-helixtrans-64.2-32.9-178.1-82.71.2000113.6Y549 R604 R607D545-Y549 HydrophobicContact CB-CD2 4.08Å; D545-Y549 HydrophobicContact CB-CE2 4.45Å; D545-Y549 WeakPolarHBondContact O-CB 3.38Å; D545-Y549 VanDerWaalsContact O-CD2 3.24Å; D545-Y549 WeakPolarHBondContact O-CD2 3.25Å; D545-Y549 PolarHBondContact O-N 2.76Å; D545-R604 IonicContact OD1-NH1 3.27Å; D545-R607 VanDerWaalsContact CG-NH1 3.28Å; D545-R607 IonicContact OD1-CZ 3.81Å; D545-R607 IonicContact OD1-NH1 2.96Å; D545-R607 PolarHBondContact OD1-NH1 3.13Å; D545-R607 VanDerWaalsContact OD1-NH1 3.14Å; D545-R607 IonicContact OD1-NH2 3.41Å; D545-R607 PolarHBondContact OD1-NH2 3.28Å; D545-R607 IonicContact OD2-CZ 2.93Å; D545-R607 IonicContact OD2-NH1 2.98Å; D545-R607 PolarHBondContact OD2-NH1 2.92Å; D545-R607 IonicContact OD2-NH2 3.77Å
546I81.4Confident84.8Confident42 Ų4240.2 Ų40.222%0.21520%0.196CC..Iπ-helixtrans-71-47.8-178.9-60172.6000107.8D544 V548 E550 E551D544-I546 VanDerWaalsContact C-N 3.29Å; D544-I546 PolarHBondContact O-N 2.81Å; D544-I546 WeakPolarHBondContact OD1-CB 3.28Å; D544-I546 PolarHBondContact OD1-N 3.47Å; I546-V548 VanDerWaalsContact C-N 3.33Å; I546-V548 PolarHBondContact O-N 2.95Å; I546-E550 HydrophobicContact CG2-CB 4.19Å; I546-E550 WeakPolarHBondContact O-CA 3.3Å; I546-E550 WeakPolarHBondContact O-CB 3.47Å; I546-E550 PolarHBondContact O-N 3.24Å; I546-E551 HydrophobicContact CG2-CG 4.18Å; I546-E551 WeakPolarHBondContact CG2-OE1 3.48Å; I546-E551 PolarHBondContact O-N 3.44Å
547E84.5Confident84.7Confident35 Ų3541.7 Ų41.716%0.16420%0.204CC..Iπ-helixtrans-57-43.1176.7-71.7168.3150.300112.1L543 D544 Q552 T553 K834L543-E547 WeakPolarHBondContact CA-OE2 3.49Å; L543-E547 HydrophobicContact CB-CB 4.19Å; L543-E547 HydrophobicContact CD2-CB 4.17Å; D544-E547 VanDerWaalsContact CG-OE2 3.32Å; D544-E547 PolarHBondContact N-OE2 2.83Å; D544-E547 PolarHBondContact O-N 3.23Å; D544-E547 WeakPolarHBondContact OD1-CG 3.1Å; D544-E547 PolarHBondContact OD1-N 3.35Å; E547-Q552 WeakPolarHBondContact O-CA 3.49Å; E547-Q552 PolarHBondContact O-N 2.9Å; E547-T553 PolarHBondContact O-N 2.85Å; E547-T553 PolarHBondContact O-OG1 3.35Å; E547-K834 VanDerWaalsContact CD-NZ 3.26Å; E547-K834 IonicContact OE1-NZ 3.57Å; E547-K834 PolarHBondContact OE1-NZ 3.4Å; E547-K834 IonicContact OE2-NZ 2.86Å; E547-K834 PolarHBondContact OE2-NZ 3.21Å
548V85.4Confident84.6Confident5 Ų546.3 Ų46.33%0.0323%0.228CC..Iπ-helixtrans-80.1-45.9-177175.90000113.4I540 L543 D544 I546 L560I540-V548 HydrophobicContact CD1-CG1 4.39Å; I540-V548 HydrophobicContact CD1-CG2 4.04Å; L543-V548 HydrophobicContact CB-CG2 3.51Å; L543-V548 HydrophobicContact CD1-CG2 4.02Å; L543-V548 HydrophobicContact CG-CG2 4.43Å; D544-V548 WeakPolarHBondContact O-CG2 3.33Å; D544-V548 PolarHBondContact O-N 3.06Å; I546-V548 VanDerWaalsContact C-N 3.33Å; I546-V548 PolarHBondContact O-N 2.95Å; V548-L560 HydrophobicContact CG1-CD1 4.17Å
549Y85.6Confident84.7Confident21 Ų2147.1 Ų47.18%0.08223%0.232CC..Iπ-helixtrans-96.7-31.4-169.4-63.1-76.1000113.8D545 I557 R604 R608 F610D545-Y549 HydrophobicContact CB-CD2 4.08Å; D545-Y549 HydrophobicContact CB-CE2 4.45Å; D545-Y549 WeakPolarHBondContact O-CB 3.38Å; D545-Y549 VanDerWaalsContact O-CD2 3.24Å; D545-Y549 WeakPolarHBondContact O-CD2 3.25Å; D545-Y549 PolarHBondContact O-N 2.76Å; Y549-I557 HydrophobicContact CD1-CD1 3.7Å; Y549-I557 HydrophobicContact CE1-CD1 4.29Å; Y549-R604 PolarHBondContact OH-O 2.86Å; Y549-R608 HydrophobicContact CE1-CG 4.37Å; Y549-R608 HydrophobicContact CE2-CB 4.3Å; Y549-R608 HydrophobicContact CE2-CG 4.46Å; Y549-R608 PolarHBondContact OH-O 3.4Å; Y549-F610 HydrophobicContact CE1-CB 4.08Å; Y549-F610 AromaticContact CE1-CD1 3.81Å; Y549-F610 HydrophobicContact CE1-CD1 3.81Å; Y549-F610 HydrophobicContact CE1-CG 4.2Å
550E85.4Confident84.9Confident122 Ų12246.6 Ų46.657%0.5723%0.229SC*.Iπ-helixtrans-101.3-53.7-174.4-61.2176.5-161.900110.9I546 R608I546-E550 HydrophobicContact CG2-CB 4.19Å; I546-E550 WeakPolarHBondContact O-CA 3.3Å; I546-E550 WeakPolarHBondContact O-CB 3.47Å; I546-E550 PolarHBondContact O-N 3.24Å; E550-R608 IonicContact OE1-NH1 3.42Å
551E85.1Confident85.3Confident103 Ų10348.4 Ų48.448%0.48124%0.238SC..SBendtrans-78.8-25.2178.8-60.7171.7-165.300111.8I546 T553 R835I546-E551 HydrophobicContact CG2-CG 4.18Å; I546-E551 WeakPolarHBondContact CG2-OE1 3.48Å; I546-E551 PolarHBondContact O-N 3.44Å; E551-T553 VanDerWaalsContact C-N 3.28Å; E551-T553 PolarHBondContact O-N 3.47Å; E551-R835 IonicContact OE1-CZ 3.82Å; E551-R835 IonicContact OE1-NH1 2.84Å; E551-R835 IonicContact OE1-NH2 2.85Å; E551-R835 PolarHBondContact OE1-NH2 3.01Å
552Q86.3Confident85.8Confident76 Ų7650 Ų5036%0.35525%0.247SC..  trans52.246-176.7-63-176.147.400112.4E547 S554 K556 I557E547-Q552 WeakPolarHBondContact O-CA 3.49Å; E547-Q552 PolarHBondContact O-N 2.9Å; Q552-S554 PolarHBondContact O-N 2.98Å; Q552-K556 VanDerWaalsContact OE1-CA 3.29Å; Q552-I557 HydrophobicContact CG-CG1 4.23Å; Q552-I557 VanDerWaalsContact OE1-N 3.08Å
553T81.8Confident86.5Confident38 Ų3845.8 Ų45.823%0.23323%0.226CC..  trans-62.2128.9-180-51.40000110.1E547 E551 F555E547-T553 PolarHBondContact O-N 2.85Å; E547-T553 PolarHBondContact O-OG1 3.35Å; E551-T553 VanDerWaalsContact C-N 3.28Å; E551-T553 PolarHBondContact O-N 3.47Å; T553-F555 PolarHBondContact O-N 3.33Å
554S84.6Confident87.2Confident23 Ų2345.1 Ų45.116%0.16122%0.223CC..SBendtrans65.2-62.5-171.7-47.30000114.8P493 Q552P493-S554 WeakPolarHBondContact CG-O 3.28Å; Q552-S554 PolarHBondContact O-N 2.98Å
555F88.5Confident88Confident3 Ų347.3 Ų47.31%0.01324%0.239CC..SBendtrans-109.7136.6-175.5-68.1-73.4000113L492 P493 F532 L539 I540 T553 E559 L560 I563L492-F555 HydrophobicContact CB-CE1 4.46Å; L492-F555 HydrophobicContact CB-CE2 4.15Å; L492-F555 HydrophobicContact CB-CZ 3.64Å; L492-F555 HydrophobicContact CD1-CE2 4.37Å; P493-F555 HydrophobicContact CB-CD1 4.48Å; P493-F555 HydrophobicContact CB-CE1 4.46Å; P493-F555 HydrophobicContact CG-CD1 4.21Å; P493-F555 HydrophobicContact CG-CE1 4.23Å; F532-F555 HydrophobicContact CE2-CE1 4.18Å; F532-F555 AromaticContact CE2-CZ 3.86Å; F532-F555 HydrophobicContact CE2-CZ 3.86Å; F532-F555 HydrophobicContact CZ-CE1 4.28Å; F532-F555 HydrophobicContact CZ-CZ 4.1Å; L539-F555 HydrophobicContact CD2-CE2 4.33Å; I540-F555 HydrophobicContact CD1-CD2 4.43Å; T553-F555 PolarHBondContact O-N 3.33Å; F555-E559 HydrophobicContact CD1-CB 4.45Å; F555-L560 HydrophobicContact CB-CD2 3.71Å; F555-L560 HydrophobicContact CB-CG 4.01Å; F555-L560 HydrophobicContact CD2-CD2 4.24Å; F555-L560 HydrophobicContact CG-CD2 3.99Å; F555-I563 HydrophobicContact CD1-CD1 4Å; F555-I563 HydrophobicContact CE1-CD1 3.84Å; F555-I563 HydrophobicContact CZ-CD1 4.47Å
556K89.8Confident88.7Confident113 Ų11346.9 Ų46.949%0.49124%0.236SC..  trans-73.7152.3166.7-64.1-177.6179.4-179.40111.2Q552 E558 E559 L560Q552-K556 VanDerWaalsContact OE1-CA 3.29Å; K556-E558 PolarHBondContact O-N 3.41Å; K556-E559 HydrophobicContact CB-CG 4.14Å; K556-E559 PolarHBondContact N-OE2 2.64Å; K556-E559 WeakPolarHBondContact O-CB 3.29Å; K556-E559 PolarHBondContact O-N 2.97Å; K556-L560 PolarHBondContact O-N 3.36Å
557I90.3Very high89.4Confident32 Ų3244.9 Ų44.916%0.16423%0.226CC..Hα-helixtrans-56.5-40.3175.5-65.8-71.9000111.4Y549 Q552 E559 L560 I561 F610Y549-I557 HydrophobicContact CD1-CD1 3.7Å; Y549-I557 HydrophobicContact CE1-CD1 4.29Å; Q552-I557 HydrophobicContact CG-CG1 4.23Å; Q552-I557 VanDerWaalsContact OE1-N 3.08Å; I557-E559 VanDerWaalsContact C-N 3.31Å; I557-E559 PolarHBondContact O-N 3.32Å; I557-L560 HydrophobicContact CD1-CD1 4.49Å; I557-L560 PolarHBondContact O-N 3.35Å; I557-I561 HydrophobicContact CG2-CD1 4.05Å; I557-I561 WeakPolarHBondContact O-CG1 3.42Å; I557-I561 PolarHBondContact O-N 2.97Å; I557-F610 HydrophobicContact CD1-CB 4.27Å; I557-F610 HydrophobicContact CG2-CB 4.11Å; I557-F610 HydrophobicContact CG2-CD2 4.19Å
558E89.4Confident89.9Confident149 Ų14943.3 Ų43.370%0.69622%0.218SC*.Hα-helixtrans-59.8-41.1176-65.2178177.600112.1K556 I561 T562K556-E558 PolarHBondContact O-N 3.41Å; E558-I561 PolarHBondContact O-N 2.78Å; E558-T562 WeakPolarHBondContact O-CG2 3.43Å; E558-T562 PolarHBondContact O-N 3.03Å
559E90.1Very high90.3Very high39 Ų3943.8 Ų43.818%0.18222%0.221CC..Hα-helixtrans-65-43.9176.5-64.9174.3140.900110.5F555 K556 I557 I561 T562 I563F555-E559 HydrophobicContact CD1-CB 4.45Å; K556-E559 HydrophobicContact CB-CG 4.14Å; K556-E559 PolarHBondContact N-OE2 2.64Å; K556-E559 WeakPolarHBondContact O-CB 3.29Å; K556-E559 PolarHBondContact O-N 2.97Å; I557-E559 VanDerWaalsContact C-N 3.31Å; I557-E559 PolarHBondContact O-N 3.32Å; E559-I561 VanDerWaalsContact C-N 3.28Å; E559-I561 PolarHBondContact O-N 3.23Å; E559-T562 PolarHBondContact O-N 3.44Å; E559-T562 VanDerWaalsContact O-N 3.08Å; E559-T562 PolarHBondContact O-OG1 2.89Å; E559-I563 WeakPolarHBondContact O-CB 3.34Å; E559-I563 WeakPolarHBondContact O-CD1 3.48Å; E559-I563 VanDerWaalsContact O-CG1 3.24Å; E559-I563 WeakPolarHBondContact O-CG1 3.39Å; E559-I563 PolarHBondContact O-N 3.38Å
560L92.6Very high90.7Very high3 Ų342.8 Ų42.82%0.01622%0.217CC..Hα-helixtrans-60.3-35.6175.6-62.7-179000112.6I540 V548 F555 K556 I557 S564 W597 L601 F610I540-L560 HydrophobicContact CD1-CD2 4.49Å; V548-L560 HydrophobicContact CG1-CD1 4.17Å; F555-L560 HydrophobicContact CB-CD2 3.71Å; F555-L560 HydrophobicContact CB-CG 4.01Å; F555-L560 HydrophobicContact CD2-CD2 4.24Å; F555-L560 HydrophobicContact CG-CD2 3.99Å; K556-L560 PolarHBondContact O-N 3.36Å; I557-L560 HydrophobicContact CD1-CD1 4.49Å; I557-L560 PolarHBondContact O-N 3.35Å; L560-S564 VanDerWaalsContact O-CB 3.32Å; L560-S564 WeakPolarHBondContact O-CB 3.15Å; L560-S564 PolarHBondContact O-N 2.84Å; L560-S564 PolarHBondContact O-OG 3.44Å; L560-W597 HydrophobicContact CD2-CZ2 4.35Å; L560-L601 HydrophobicContact CD2-CD2 4.14Å; L560-F610 HydrophobicContact CB-CE2 3.93Å
561I93.1Very high91.1Very high41 Ų4137 Ų3721%0.2119%0.19CC..Hα-helixtrans-65.7-44.9173.3-65.1165.6000110.4I557 E558 E559 S564 S565 F610 T611 H615I557-I561 HydrophobicContact CG2-CD1 4.05Å; I557-I561 WeakPolarHBondContact O-CG1 3.42Å; I557-I561 PolarHBondContact O-N 2.97Å; E558-I561 PolarHBondContact O-N 2.78Å; E559-I561 VanDerWaalsContact C-N 3.28Å; E559-I561 PolarHBondContact O-N 3.23Å; I561-S564 WeakPolarHBondContact CA-OG 3.33Å; I561-S564 PolarHBondContact O-OG 2.69Å; I561-S565 WeakPolarHBondContact O-CB 3.34Å; I561-S565 PolarHBondContact O-N 3.03Å; I561-F610 WeakPolarHBondContact CD1-O 3.39Å; I561-F610 HydrophobicContact CG1-CD2 4.02Å; I561-F610 HydrophobicContact CG1-CE2 4.28Å; I561-T611 HydrophobicContact CG1-CG2 4.33Å; I561-H615 PolarHBondContact O-CE1 2.76Å; I561-H615 VanDerWaalsContact O-CE1 3.29Å
562T92Very high91.6Very high76 Ų7632.3 Ų32.347%0.46617%0.168SC..Hα-helixtrans-65-42.6177.764.90000112.5E558 E559 S565 F566E558-T562 WeakPolarHBondContact O-CG2 3.43Å; E558-T562 PolarHBondContact O-N 3.03Å; E559-T562 PolarHBondContact O-N 3.44Å; E559-T562 VanDerWaalsContact O-N 3.08Å; E559-T562 PolarHBondContact O-OG1 2.89Å; T562-S565 PolarHBondContact O-N 2.91Å; T562-F566 PolarHBondContact O-N 2.89Å
563I94.1Very high91.9Very high0 Ų031.7 Ų31.70%016%0.164CC..Hα-helixtrans-61.7-51.9177.4-69.5162.8000109.8W496 F532 F555 E559 S565 F566 L567 L601W496-I563 HydrophobicContact CD2-CD1 4.18Å; W496-I563 HydrophobicContact CD2-CG1 3.64Å; W496-I563 HydrophobicContact CE3-CG1 4.19Å; W496-I563 HydrophobicContact CG-CD1 4.12Å; W496-I563 HydrophobicContact CG-CG1 4.07Å; W496-I563 HydrophobicContact CH2-CG1 4.11Å; W496-I563 HydrophobicContact CZ2-CB 4.25Å; W496-I563 HydrophobicContact CZ2-CG1 3.54Å; W496-I563 HydrophobicContact CZ3-CG1 4.41Å; F532-I563 HydrophobicContact CE1-CG2 4.45Å; F532-I563 HydrophobicContact CZ-CD1 3.98Å; F532-I563 HydrophobicContact CZ-CG1 4.37Å; F555-I563 HydrophobicContact CD1-CD1 4Å; F555-I563 HydrophobicContact CE1-CD1 3.84Å; F555-I563 HydrophobicContact CZ-CD1 4.47Å; E559-I563 WeakPolarHBondContact O-CB 3.34Å; E559-I563 WeakPolarHBondContact O-CD1 3.48Å; E559-I563 VanDerWaalsContact O-CG1 3.24Å; E559-I563 WeakPolarHBondContact O-CG1 3.39Å; E559-I563 PolarHBondContact O-N 3.38Å; I563-S565 VanDerWaalsContact C-N 3.3Å; I563-S565 PolarHBondContact O-N 3.33Å; I563-F566 WeakPolarHBondContact O-CB 3.39Å; I563-F566 PolarHBondContact O-N 3.39Å; I563-F566 VanDerWaalsContact O-N 3.14Å; I563-L567 HydrophobicContact CG2-CD1 3.61Å; I563-L567 HydrophobicContact CG2-CG 4.1Å; I563-L567 VanDerWaalsContact O-CG 3.25Å; I563-L567 WeakPolarHBondContact O-CG 3.11Å; I563-L567 PolarHBondContact O-N 2.99Å; I563-L601 HydrophobicContact CG2-CD1 4.01Å
564S95.3Very high92.4Very high0 Ų029.9 Ų29.90%015%0.153CC..Hα-helixtrans-60-38.8179.851.90000112.5L560 I561 L567 N568 H615L560-S564 VanDerWaalsContact O-CB 3.32Å; L560-S564 WeakPolarHBondContact O-CB 3.15Å; L560-S564 PolarHBondContact O-N 2.84Å; L560-S564 PolarHBondContact O-OG 3.44Å; I561-S564 WeakPolarHBondContact CA-OG 3.33Å; I561-S564 PolarHBondContact O-OG 2.69Å; S564-L567 PolarHBondContact O-N 3.39Å; S564-N568 WeakPolarHBondContact O-CB 3.47Å; S564-N568 PolarHBondContact O-N 3.44Å; S564-H615 PolarHBondContact OG-NE2 3.43Å
565S93.3Very high92.8Very high54 Ų5428.8 Ų28.838%0.37815%0.146SC..Hα-helixtrans-62.1-44.7174.3-175.10000112.7I561 T562 I563 T569I561-S565 WeakPolarHBondContact O-CB 3.34Å; I561-S565 PolarHBondContact O-N 3.03Å; T562-S565 PolarHBondContact O-N 2.91Å; I563-S565 VanDerWaalsContact C-N 3.3Å; I563-S565 PolarHBondContact O-N 3.33Å; S565-T569 WeakPolarHBondContact O-CB 3.48Å; S565-T569 PolarHBondContact O-N 3.04Å; S565-T569 VanDerWaalsContact O-N 3.08Å; S565-T569 PolarHBondContact O-OG1 3.31Å
566F94.1Very high93Very high10 Ų1030.2 Ų30.24%0.04415%0.151CC..Hα-helixtrans-60.3-52.7175.5171.8-86.7000111.3W496 G506 L508 F511 L529 T562 I563 N568 T569 F570W496-F566 HydrophobicContact CH2-CB 3.89Å; W496-F566 AromaticContact CH2-CD1 3.93Å; W496-F566 HydrophobicContact CH2-CD1 3.93Å; W496-F566 HydrophobicContact CH2-CD2 4.26Å; W496-F566 AromaticContact CH2-CG 3.77Å; W496-F566 HydrophobicContact CH2-CG 3.77Å; W496-F566 HydrophobicContact CZ2-CB 4.46Å; W496-F566 HydrophobicContact CZ3-CD1 4.31Å; G506-F566 VanDerWaalsContact O-CE2 3.24Å; G506-F566 WeakPolarHBondContact O-CE2 3.44Å; L508-F566 HydrophobicContact CB-CD2 3.99Å; L508-F566 HydrophobicContact CB-CE2 3.81Å; L508-F566 HydrophobicContact CD1-CD2 4.06Å; L508-F566 HydrophobicContact CD1-CE2 3.93Å; L508-F566 HydrophobicContact CD1-CZ 4.4Å; F511-F566 HydrophobicContact CD2-CE2 4.29Å; F511-F566 AromaticContact CD2-CZ 3.92Å; F511-F566 HydrophobicContact CD2-CZ 3.92Å; F511-F566 HydrophobicContact CE2-CZ 4.37Å; L529-F566 HydrophobicContact CD1-CE1 3.87Å; L529-F566 HydrophobicContact CD1-CZ 4.28Å; L529-F566 HydrophobicContact CD2-CE1 4.2Å; L529-F566 HydrophobicContact CD2-CZ 4.23Å; T562-F566 PolarHBondContact O-N 2.89Å; I563-F566 WeakPolarHBondContact O-CB 3.39Å; I563-F566 PolarHBondContact O-N 3.39Å; I563-F566 VanDerWaalsContact O-N 3.14Å; F566-N568 PolarHBondContact O-N 3.14Å; F566-T569 PolarHBondContact O-N 3.42Å; F566-F570 HydrophobicContact CZ-CD2 4.41Å; F566-F570 WeakPolarHBondContact O-CB 3.4Å; F566-F570 PolarHBondContact O-N 3.09Å
567L95.7Very high93Very high0 Ų029.8 Ų29.80%015%0.154CC..Hα-helixtrans-62.5-45.3-177.7-62.7170.8000111.3I563 S564 T569 F570 V571 V594 W597 L598 L601I563-L567 HydrophobicContact CG2-CD1 3.61Å; I563-L567 HydrophobicContact CG2-CG 4.1Å; I563-L567 VanDerWaalsContact O-CG 3.25Å; I563-L567 WeakPolarHBondContact O-CG 3.11Å; I563-L567 PolarHBondContact O-N 2.99Å; S564-L567 PolarHBondContact O-N 3.39Å; L567-T569 VanDerWaalsContact C-N 3.3Å; L567-T569 PolarHBondContact O-N 2.9Å; L567-F570 PolarHBondContact O-N 2.87Å; L567-V571 WeakPolarHBondContact O-CB 3.4Å; L567-V571 VanDerWaalsContact O-CG2 3.31Å; L567-V571 WeakPolarHBondContact O-CG2 3.42Å; L567-V571 PolarHBondContact O-N 3.43Å; L567-V594 HydrophobicContact CB-CG1 4.39Å; L567-V594 HydrophobicContact CD2-CB 4.47Å; L567-V594 HydrophobicContact CD2-CG1 3.52Å; L567-W597 HydrophobicContact CD1-CB 4.18Å; L567-W597 HydrophobicContact CD1-CG 3.82Å; L567-L598 HydrophobicContact CB-CB 4.09Å; L567-L598 HydrophobicContact CB-CD1 3.99Å; L567-L601 HydrophobicContact CD1-CD1 4.07Å
568N95.2Very high92.9Very high2 Ų229.3 Ų29.31%0.01116%0.156CC..Hα-helixtrans-59.6-44.1179.1-171.416.7000110.7S564 F566 Y572 L598 W616 V647S564-N568 WeakPolarHBondContact O-CB 3.47Å; S564-N568 PolarHBondContact O-N 3.44Å; F566-N568 PolarHBondContact O-N 3.14Å; N568-Y572 WeakPolarHBondContact O-CB 3.32Å; N568-Y572 PolarHBondContact O-N 2.92Å; N568-L598 HydrophobicContact CB-CD1 3.85Å; N568-W616 PolarHBondContact ND2-O 2.86Å; N568-V647 WeakPolarHBondContact OD1-CG1 3.35Å
569T93.9Very high92.8Very high15 Ų1523.3 Ų23.39%0.09213%0.129CC..Hα-helixtrans-65.6-43.1175.9-52.40000112.4L508 S565 F566 L567 K573 R618L508-T569 HydrophobicContact CD1-CG2 4.45Å; L508-T569 HydrophobicContact CD2-CG2 3.48Å; L508-T569 VanDerWaalsContact CD2-CG2 3.48Å; S565-T569 WeakPolarHBondContact O-CB 3.48Å; S565-T569 PolarHBondContact O-N 3.04Å; S565-T569 VanDerWaalsContact O-N 3.08Å; S565-T569 PolarHBondContact O-OG1 3.31Å; F566-T569 PolarHBondContact O-N 3.42Å; L567-T569 VanDerWaalsContact C-N 3.3Å; L567-T569 PolarHBondContact O-N 2.9Å; T569-K573 HydrophobicContact CG2-CD 4.31Å; T569-K573 WeakPolarHBondContact O-CG 3.48Å; T569-K573 PolarHBondContact O-N 2.68Å; T569-R618 PolarHBondContact OG1-NH1 3.02Å
570F93.9Very high92.7Very high0 Ų022.3 Ų22.30%013%0.125CC..Hα-helixtrans-63.9-51.1-177.9-171.4-90.6000111.5L508 F511 M512 L515 L529 F566 L567 Y572 K573 M574 L590 V594L508-F570 HydrophobicContact CD1-CB 3.84Å; L508-F570 HydrophobicContact CD1-CD2 3.86Å; L508-F570 HydrophobicContact CD1-CG 4.37Å; F511-F570 HydrophobicContact CB-CD2 4.43Å; F511-F570 HydrophobicContact CB-CE2 3.61Å; F511-F570 HydrophobicContact CB-CZ 4.38Å; M512-F570 HydrophobicContact CG-CD2 4.26Å; M512-F570 HydrophobicContact CG-CE2 4.33Å; M512-F570 HydrophobicContact SD-CD2 3.69Å; M512-F570 HydrophobicContact SD-CE2 3.75Å; M512-F570 HydrophobicContact SD-CG 4.33Å; M512-F570 HydrophobicContact SD-CZ 4.48Å; L515-F570 HydrophobicContact CD1-CE1 4.2Å; L515-F570 HydrophobicContact CD1-CE2 4.1Å; L515-F570 HydrophobicContact CD1-CZ 3.59Å; L515-F570 HydrophobicContact CG-CZ 4.29Å; L529-F570 HydrophobicContact CD2-CE1 4.44Å; L529-F570 HydrophobicContact CD2-CE2 4.27Å; L529-F570 HydrophobicContact CD2-CZ 4.09Å; F566-F570 HydrophobicContact CZ-CD2 4.41Å; F566-F570 WeakPolarHBondContact O-CB 3.4Å; F566-F570 PolarHBondContact O-N 3.09Å; L567-F570 PolarHBondContact O-N 2.87Å; F570-Y572 PolarHBondContact O-N 3.32Å; F570-K573 PolarHBondContact O-N 3.11Å; F570-M574 HydrophobicContact CD1-CG 4.09Å; F570-M574 HydrophobicContact CD1-SD 3.73Å; F570-M574 HydrophobicContact CE1-CG 3.96Å; F570-M574 HydrophobicContact CE1-SD 3.28Å; F570-M574 WeakPolarHBondContact CE1-SD 3.41Å; F570-M574 HydrophobicContact CZ-SD 4.13Å; F570-M574 WeakPolarHBondContact O-CG 3.44Å; F570-M574 PolarHBondContact O-N 2.92Å; F570-L590 HydrophobicContact CE1-CD2 4.32Å; F570-L590 HydrophobicContact CE1-CG 4.46Å; F570-L590 HydrophobicContact CZ-CD2 4.17Å; F570-V594 HydrophobicContact CD1-CB 4.45Å; F570-V594 HydrophobicContact CD1-CG1 3.8Å; F570-V594 HydrophobicContact CD1-CG2 4.32Å; F570-V594 HydrophobicContact CE1-CG1 4.43Å; F570-V594 HydrophobicContact CE1-CG2 4.15Å
571V95.2Very high92.4Very high0 Ų025.5 Ų25.50%014%0.14CC..Hα-helixtrans-62.8-43.1179.1178.20000110.8L567 K573 M574 I575 F591 V594 L598 I644L567-V571 WeakPolarHBondContact O-CB 3.4Å; L567-V571 VanDerWaalsContact O-CG2 3.31Å; L567-V571 WeakPolarHBondContact O-CG2 3.42Å; L567-V571 PolarHBondContact O-N 3.43Å; V571-K573 PolarHBondContact O-N 2.95Å; V571-M574 PolarHBondContact O-N 3.42Å; V571-I575 HydrophobicContact CG1-CD1 4.03Å; V571-I575 WeakPolarHBondContact O-CG1 3.36Å; V571-I575 PolarHBondContact O-N 2.89Å; V571-I575 VanDerWaalsContact O-N 3.12Å; V571-F591 HydrophobicContact CG1-CE2 3.77Å; V571-F591 HydrophobicContact CG1-CZ 4.39Å; V571-V594 HydrophobicContact CG2-CB 4.31Å; V571-V594 HydrophobicContact CG2-CG1 3.56Å; V571-L598 HydrophobicContact CB-CD2 3.98Å; V571-L598 HydrophobicContact CG1-CD2 4.28Å; V571-L598 HydrophobicContact CG2-CD2 3.91Å; V571-I644 HydrophobicContact CB-CG2 4.49Å; V571-I644 HydrophobicContact CG1-CD1 4.25Å; V571-I644 HydrophobicContact CG1-CG2 3.61Å
572Y94.8Very high91.8Very high5 Ų530.1 Ų30.12%0.0217%0.165CC..Hα-helixtrans-57-49175.1170.6-102.3000112N568 F570 I575 W576 R618 D620 L621 L640 I644N568-Y572 WeakPolarHBondContact O-CB 3.32Å; N568-Y572 PolarHBondContact O-N 2.92Å; F570-Y572 PolarHBondContact O-N 3.32Å; Y572-I575 PolarHBondContact O-N 2.8Å; Y572-W576 HydrophobicContact CD2-CB 4.46Å; Y572-W576 HydrophobicContact CE1-CB 4.28Å; Y572-W576 HydrophobicContact CE1-CG 4.38Å; Y572-W576 HydrophobicContact CE2-CB 4.08Å; Y572-W576 HydrophobicContact CE2-CD2 4.2Å; Y572-W576 HydrophobicContact CE2-CE3 4.27Å; Y572-W576 HydrophobicContact CE2-CG 4.13Å; Y572-W576 AromaticContact CZ-CG 3.8Å; Y572-W576 VanDerWaalsContact O-CB 3.23Å; Y572-W576 WeakPolarHBondContact O-CB 3.3Å; Y572-W576 PolarHBondContact O-N 2.92Å; Y572-R618 HydrophobicContact CD1-CG 4.4Å; Y572-R618 HydrophobicContact CD2-CG 4.03Å; Y572-R618 HydrophobicContact CE2-CB 4.46Å; Y572-R618 HydrophobicContact CE2-CG 4.42Å; Y572-R618 HydrophobicContact CG-CG 4.02Å; Y572-D620 VanDerWaalsContact CE1-OD2 3.29Å; Y572-D620 WeakPolarHBondContact CE1-OD2 3.4Å; Y572-L621 HydrophobicContact CE2-CB 4.3Å; Y572-L621 HydrophobicContact CE2-CD1 4.48Å; Y572-L621 HydrophobicContact CE2-CD2 4.38Å; Y572-L640 HydrophobicContact CD2-CD1 3.89Å; Y572-L640 HydrophobicContact CE2-CD1 3.73Å; Y572-I644 HydrophobicContact CD2-CD1 4.35Å
573K92.3Very high91.3Very high63 Ų6327.3 Ų27.327%0.27415%0.149SC..Hα-helixtrans-64.8-41.8179-72.9-178.2177179.20112.4M512 T569 F570 V571 I575 W576 D577M512-K573 HydrophobicContact CE-CB 3.53Å; M512-K573 HydrophobicContact CE-CD 4.35Å; M512-K573 HydrophobicContact CG-CD 4.33Å; M512-K573 HydrophobicContact SD-CB 3.98Å; M512-K573 HydrophobicContact SD-CD 4.42Å; T569-K573 HydrophobicContact CG2-CD 4.31Å; T569-K573 WeakPolarHBondContact O-CG 3.48Å; T569-K573 PolarHBondContact O-N 2.68Å; F570-K573 PolarHBondContact O-N 3.11Å; V571-K573 PolarHBondContact O-N 2.95Å; K573-I575 PolarHBondContact O-N 3.37Å; K573-W576 PolarHBondContact O-N 3.02Å; K573-D577 WeakPolarHBondContact O-CB 3.27Å; K573-D577 PolarHBondContact O-N 2.82Å
574M92.8Very high90.7Very high0 Ų035.8 Ų35.80%019%0.186CC..Hα-helixtrans-55.7-39175.6-75.2-16981.100112.7L515 F570 V571 I579 L580 F591L515-M574 HydrophobicContact CD1-CE 3.99Å; L515-M574 HydrophobicContact CD1-CG 3.68Å; L515-M574 HydrophobicContact CD1-SD 4.02Å; L515-M574 HydrophobicContact CD2-CE 4.03Å; F570-M574 HydrophobicContact CD1-CG 4.09Å; F570-M574 HydrophobicContact CD1-SD 3.73Å; F570-M574 HydrophobicContact CE1-CG 3.96Å; F570-M574 HydrophobicContact CE1-SD 3.28Å; F570-M574 WeakPolarHBondContact CE1-SD 3.41Å; F570-M574 HydrophobicContact CZ-SD 4.13Å; F570-M574 WeakPolarHBondContact O-CG 3.44Å; F570-M574 PolarHBondContact O-N 2.92Å; V571-M574 PolarHBondContact O-N 3.42Å; M574-I579 HydrophobicContact CE-CG2 4.45Å; M574-I579 WeakPolarHBondContact O-CB 3.2Å; M574-I579 PolarHBondContact O-N 3.24Å; M574-L580 PolarHBondContact O-N 3.48Å; M574-L580 VanDerWaalsContact O-N 3.12Å; M574-F591 HydrophobicContact CE-CB 4.09Å; M574-F591 HydrophobicContact CE-CD2 4.45Å; M574-F591 HydrophobicContact SD-CD2 4.19Å
575I93.3Very high90.1Very high0 Ų038 Ų380%021%0.209CC..Hα-helixtrans-78.3-51.4178.3-64.7170.4000110.8V571 Y572 K573 D577 G578 L580 F591 R636 L639 L640 I644V571-I575 HydrophobicContact CG1-CD1 4.03Å; V571-I575 WeakPolarHBondContact O-CG1 3.36Å; V571-I575 PolarHBondContact O-N 2.89Å; V571-I575 VanDerWaalsContact O-N 3.12Å; Y572-I575 PolarHBondContact O-N 2.8Å; K573-I575 PolarHBondContact O-N 3.37Å; I575-D577 PolarHBondContact O-N 3.44Å; I575-G578 PolarHBondContact O-N 2.7Å; I575-G578 VanDerWaalsContact O-N 3.12Å; I575-L580 HydrophobicContact CG1-CD2 3.88Å; I575-F591 HydrophobicContact CD1-CE2 4.01Å; I575-F591 HydrophobicContact CD1-CZ 4.21Å; I575-F591 HydrophobicContact CG1-CE2 3.98Å; I575-F591 HydrophobicContact CG1-CZ 4.49Å; I575-R636 VanDerWaalsContact CG2-O 3.3Å; I575-R636 WeakPolarHBondContact CG2-O 3.49Å; I575-R636 WeakPolarHBondContact O-CB 3.47Å; I575-L639 HydrophobicContact CG2-CB 3.79Å; I575-L640 HydrophobicContact CG2-CB 4.05Å; I575-I644 HydrophobicContact CD1-CD1 3.91Å; I575-I644 HydrophobicContact CD1-CG1 3.86Å
576W91.8Very high89.6Confident33 Ų3340.5 Ų40.513%0.12522%0.215CC..Hα-helixtrans-69.7-34.9-170.3-165.9-103.3000113.5Y572 K573 G578 L621 L625 L626 L640Y572-W576 HydrophobicContact CD2-CB 4.46Å; Y572-W576 HydrophobicContact CE1-CB 4.28Å; Y572-W576 HydrophobicContact CE1-CG 4.38Å; Y572-W576 HydrophobicContact CE2-CB 4.08Å; Y572-W576 HydrophobicContact CE2-CD2 4.2Å; Y572-W576 HydrophobicContact CE2-CE3 4.27Å; Y572-W576 HydrophobicContact CE2-CG 4.13Å; Y572-W576 AromaticContact CZ-CG 3.8Å; Y572-W576 VanDerWaalsContact O-CB 3.23Å; Y572-W576 WeakPolarHBondContact O-CB 3.3Å; Y572-W576 PolarHBondContact O-N 2.92Å; K573-W576 PolarHBondContact O-N 3.02Å; W576-G578 PolarHBondContact O-N 3.47Å; W576-L621 HydrophobicContact CD2-CD1 4.49Å; W576-L621 HydrophobicContact CE3-CD1 4.1Å; W576-L621 HydrophobicContact CH2-CD1 3.35Å; W576-L621 HydrophobicContact CZ2-CD1 3.78Å; W576-L621 HydrophobicContact CZ3-CD1 3.53Å; W576-L625 HydrophobicContact CZ2-CD2 3.89Å; W576-L625 HydrophobicContact CZ2-CG 4.37Å; W576-L626 HydrophobicContact CZ3-CD1 4.18Å; W576-L640 HydrophobicContact CE3-CD1 3.74Å; W576-L640 HydrophobicContact CZ3-CD1 4.06Å
577D90.5Very high89.3Confident104 Ų10443.4 Ų43.456%0.55623%0.227SC*.THydrogen-bonded Turntrans-80.2-1175.6-61.6-21.5000112.4K573 I575 I579K573-D577 WeakPolarHBondContact O-CB 3.27Å; K573-D577 PolarHBondContact O-N 2.82Å; I575-D577 PolarHBondContact O-N 3.44Å; D577-I579 HydrophobicContact CB-CG1 4.4Å
578G87.4Confident89Confident21 Ų2146.3 Ų46.322%0.21624%0.243CC..THydrogen-bonded Turntrans78.715.2174.500000115.1I575 W576I575-G578 PolarHBondContact O-N 2.7Å; I575-G578 VanDerWaalsContact O-N 3.12Å; W576-G578 PolarHBondContact O-N 3.47Å
579I87.4Confident88.8Confident24 Ų2450.9 Ų50.912%0.12326%0.264CS..SBendtrans-66.3-40.1179.5-57.3177.5000110.4M512 L515 M574 D577 E581M512-I579 HydrophobicContact CE-CD1 3.84Å; L515-I579 HydrophobicContact CB-CD1 4.34Å; L515-I579 HydrophobicContact CD1-CD1 4.23Å; M574-I579 HydrophobicContact CE-CG2 4.45Å; M574-I579 WeakPolarHBondContact O-CB 3.2Å; M574-I579 PolarHBondContact O-N 3.24Å; D577-I579 HydrophobicContact CB-CG1 4.4Å; I579-E581 PolarHBondContact O-N 3.38Å
580L88.8Confident88.8Confident17 Ų1750.2 Ų50.29%0.08926%0.26CS..G310 helixtrans-69-30.1-178.2-171.564.1000113.4M574 I575 N582 A583 L588 F591 L639 Y643M574-L580 PolarHBondContact O-N 3.48Å; M574-L580 VanDerWaalsContact O-N 3.12Å; I575-L580 HydrophobicContact CG1-CD2 3.88Å; L580-N582 PolarHBondContact O-N 3.02Å; L580-A583 HydrophobicContact CD1-CB 4.15Å; L580-A583 PolarHBondContact O-N 3.49Å; L580-A583 VanDerWaalsContact O-N 3.11Å; L580-L588 HydrophobicContact CD1-CD1 4.09Å; L580-F591 HydrophobicContact CD1-CB 4.01Å; L580-F591 HydrophobicContact CD1-CD1 3.81Å; L580-F591 HydrophobicContact CD1-CD2 3.86Å; L580-F591 HydrophobicContact CD1-CE1 4.26Å; L580-F591 HydrophobicContact CD1-CE2 4.28Å; L580-F591 HydrophobicContact CD1-CG 3.6Å; L580-F591 HydrophobicContact CD1-CZ 4.48Å; L580-F591 HydrophobicContact CD2-CD1 4.29Å; L580-F591 HydrophobicContact CD2-CD2 4.06Å; L580-F591 HydrophobicContact CD2-CE1 3.89Å; L580-F591 HydrophobicContact CD2-CE2 3.61Å; L580-F591 HydrophobicContact CD2-CG 4.37Å; L580-F591 HydrophobicContact CD2-CZ 3.53Å; L580-L639 HydrophobicContact CD2-CD1 4.28Å; L580-L639 HydrophobicContact CD2-CD2 4.42Å; L580-L639 HydrophobicContact CG-CD1 4.5Å; L580-Y643 HydrophobicContact CD2-CD2 4.32Å; L580-Y643 HydrophobicContact CD2-CE2 4.26Å
581E85.4Confident88.8Confident71 Ų7150.3 Ų50.333%0.33226%0.26SS..G310 helixtrans-57.9-28.6-174.2-65.2-171-178.600113.2I579 K635 R636 L639I579-E581 PolarHBondContact O-N 3.38Å; E581-K635 HydrophobicContact CG-CB 4.08Å; E581-K635 WeakPolarHBondContact OE1-CB 3.43Å; E581-R636 WeakPolarHBondContact OE1-CB 3.47Å; E581-R636 PolarHBondContact OE1-N 3.46Å; E581-L639 HydrophobicContact CG-CD1 4.01Å
582N79.9Confident88.7Confident138 Ų13854.8 Ų54.874%0.73828%0.281SS*.G310 helixtrans-120.712.3-179.7-61.4-53.2000113.1L580 K584L580-N582 PolarHBondContact O-N 3.02Å; N582-K584 PolarHBondContact O-N 2.92Å
583A82.3Confident88.6Confident16 Ų1654.9 Ų54.913%0.13228%0.282CS..  trans-67.2133.9-176.300000111.6L580 K587 L588L580-A583 HydrophobicContact CD1-CB 4.15Å; L580-A583 PolarHBondContact O-N 3.49Å; L580-A583 VanDerWaalsContact O-N 3.11Å; A583-K587 HydrophobicContact CB-CB 4.12Å; A583-L588 HydrophobicContact CB-CB 4.39Å
584K80.5Confident88.8Confident178 Ų17851.9 Ų51.977%0.77427%0.269SS*.  trans-140156.2173.5-64.9-175.8-178.8-179.70109.2N582 E586N582-K584 PolarHBondContact O-N 2.92Å; K584-E586 PolarHBondContact O-N 3.39Å
585G84Confident88.9Confident47 Ų4752.9 Ų52.949%0.48527%0.274SS..THydrogen-bonded Turntrans57.7-132.4178.700000112.2K587 L588 E589G585-K587 VanDerWaalsContact C-N 3.29Å; G585-K587 PolarHBondContact O-N 3.22Å; G585-L588 WeakPolarHBondContact O-CB 3.45Å; G585-L588 PolarHBondContact O-N 3.48Å; G585-E589 PolarHBondContact O-N 3.08Å; G585-E589 VanDerWaalsContact O-N 3.13Å
586E82.3Confident88.9Confident106 Ų10653 Ų5350%0.49528%0.275SS..Hα-helixtrans-52.8-38.8-173.8-64.7171.4-17000114.1K523 K584 L588 E589 L590K523-E586 WeakPolarHBondContact CD-OE2 3.46Å; K523-E586 WeakPolarHBondContact CG-OE2 3.47Å; K584-E586 PolarHBondContact O-N 3.39Å; E586-L588 VanDerWaalsContact C-N 3.27Å; E586-L588 PolarHBondContact O-N 2.89Å; E586-E589 PolarHBondContact O-N 2.84Å; E586-L590 WeakPolarHBondContact O-CB 3.49Å; E586-L590 PolarHBondContact O-N 2.72Å
587K87.1Confident89.1Confident71 Ų7151.4 Ų51.431%0.30927%0.269SS..Hα-helixtrans-64.3-34.3179.5-63.7-170-172.8-169.40112.5L515 A583 G585 F591L515-K587 HydrophobicContact CD2-CG 4.4Å; L515-K587 WeakPolarHBondContact O-CE 3.4Å; L515-K587 PolarHBondContact O-NZ 3.32Å; A583-K587 HydrophobicContact CB-CB 4.12Å; G585-K587 VanDerWaalsContact C-N 3.29Å; G585-K587 PolarHBondContact O-N 3.22Å; K587-F591 PolarHBondContact O-N 2.99Å; K587-F591 VanDerWaalsContact O-N 3.14Å
588L90.3Very high89.3Confident62 Ų6246.5 Ų46.533%0.32524%0.243SC..Hα-helixtrans-77.1-39.2177.7-17764.7000110.8L580 A583 G585 E586 F591 H592L580-L588 HydrophobicContact CD1-CD1 4.09Å; A583-L588 HydrophobicContact CB-CB 4.39Å; G585-L588 WeakPolarHBondContact O-CB 3.45Å; G585-L588 PolarHBondContact O-N 3.48Å; E586-L588 VanDerWaalsContact C-N 3.27Å; E586-L588 PolarHBondContact O-N 2.89Å; L588-F591 WeakPolarHBondContact O-CB 3.5Å; L588-F591 PolarHBondContact O-N 3.41Å; L588-H592 VanDerWaalsContact CG-CE1 3.49Å; L588-H592 WeakPolarHBondContact CG-CE1 3.32Å; L588-H592 PolarHBondContact O-N 2.97Å; L588-H592 PolarHBondContact O-ND1 3.29Å; L588-H592 VanDerWaalsContact O-ND1 3.12Å
589E90.8Very high89.5Confident98 Ų9846.6 Ų46.646%0.45824%0.238SC..Hα-helixtrans-63-41.5174.6-66.4179.3173.400112M530 G585 E586 H592 S593M530-E589 HydrophobicContact CE-CB 3.69Å; G585-E589 PolarHBondContact O-N 3.08Å; G585-E589 VanDerWaalsContact O-N 3.13Å; E586-E589 PolarHBondContact O-N 2.84Å; E589-H592 PolarHBondContact O-N 2.91Å; E589-S593 PolarHBondContact O-N 2.92Å; E589-S593 PolarHBondContact O-OG 3.16Å
590L93.3Very high89.7Confident1 Ų145.6 Ų45.61%0.00523%0.233CC..Hα-helixtrans-59.8-47.7171.6172.569.3000111.6L515 L526 L529 M530 F570 E586 H592 S593 V594L515-L590 HydrophobicContact CD2-CD2 3.65Å; L515-L590 HydrophobicContact CG-CD2 4.4Å; L526-L590 HydrophobicContact CB-CD2 4.29Å; L526-L590 HydrophobicContact CD1-CD2 4.19Å; L526-L590 HydrophobicContact CD2-CD2 3.73Å; L526-L590 HydrophobicContact CG-CD2 4.27Å; L529-L590 HydrophobicContact CD2-CD1 4.23Å; L529-L590 HydrophobicContact CG-CD1 4.35Å; M530-L590 HydrophobicContact CG-CB 3.9Å; M530-L590 HydrophobicContact CG-CD1 3.39Å; M530-L590 HydrophobicContact CG-CG 4.23Å; M530-L590 HydrophobicContact SD-CB 3.8Å; M530-L590 HydrophobicContact SD-CD1 4.29Å; F570-L590 HydrophobicContact CE1-CD2 4.32Å; F570-L590 HydrophobicContact CE1-CG 4.46Å; F570-L590 HydrophobicContact CZ-CD2 4.17Å; E586-L590 WeakPolarHBondContact O-CB 3.49Å; E586-L590 PolarHBondContact O-N 2.72Å; L590-H592 VanDerWaalsContact C-N 3.33Å; L590-H592 PolarHBondContact O-N 2.76Å; L590-S593 PolarHBondContact O-N 3.18Å; L590-V594 HydrophobicContact CD1-CG2 3.72Å; L590-V594 HydrophobicContact CG-CG2 4.28Å; L590-V594 WeakPolarHBondContact O-CG2 3.24Å; L590-V594 PolarHBondContact O-N 3.39Å
591F94.4Very high89.9Confident1 Ų144.9 Ų44.90%0.00423%0.229CC..Hα-helixtrans-55.9-48.5177.1175.9-96.3000111.2V571 M574 I575 L580 K587 L588 S593 V594 H595 Y643V571-F591 HydrophobicContact CG1-CE2 3.77Å; V571-F591 HydrophobicContact CG1-CZ 4.39Å; M574-F591 HydrophobicContact CE-CB 4.09Å; M574-F591 HydrophobicContact CE-CD2 4.45Å; M574-F591 HydrophobicContact SD-CD2 4.19Å; I575-F591 HydrophobicContact CD1-CE2 4.01Å; I575-F591 HydrophobicContact CD1-CZ 4.21Å; I575-F591 HydrophobicContact CG1-CE2 3.98Å; I575-F591 HydrophobicContact CG1-CZ 4.49Å; L580-F591 HydrophobicContact CD1-CB 4.01Å; L580-F591 HydrophobicContact CD1-CD1 3.81Å; L580-F591 HydrophobicContact CD1-CD2 3.86Å; L580-F591 HydrophobicContact CD1-CE1 4.26Å; L580-F591 HydrophobicContact CD1-CE2 4.28Å; L580-F591 HydrophobicContact CD1-CG 3.6Å; L580-F591 HydrophobicContact CD1-CZ 4.48Å; L580-F591 HydrophobicContact CD2-CD1 4.29Å; L580-F591 HydrophobicContact CD2-CD2 4.06Å; L580-F591 HydrophobicContact CD2-CE1 3.89Å; L580-F591 HydrophobicContact CD2-CE2 3.61Å; L580-F591 HydrophobicContact CD2-CG 4.37Å; L580-F591 HydrophobicContact CD2-CZ 3.53Å; K587-F591 PolarHBondContact O-N 2.99Å; K587-F591 VanDerWaalsContact O-N 3.14Å; L588-F591 WeakPolarHBondContact O-CB 3.5Å; L588-F591 PolarHBondContact O-N 3.41Å; F591-S593 VanDerWaalsContact C-N 3.32Å; F591-S593 PolarHBondContact O-N 3.44Å; F591-V594 PolarHBondContact O-N 2.91Å; F591-H595 HydrophobicContact CD1-CB 4.48Å; F591-H595 HydrophobicContact CE1-CB 4.17Å; F591-H595 HydrophobicContact CE2-CB 4.48Å; F591-H595 HydrophobicContact CZ-CB 4.17Å; F591-H595 WeakPolarHBondContact O-CB 3.47Å; F591-H595 PolarHBondContact O-N 3.22Å; F591-Y643 AromaticContact CE1-CD1 3.79Å; F591-Y643 HydrophobicContact CE1-CD1 3.79Å; F591-Y643 HydrophobicContact CE1-CD2 4.34Å; F591-Y643 AromaticContact CE1-CE1 3.82Å; F591-Y643 HydrophobicContact CE1-CE1 3.82Å; F591-Y643 HydrophobicContact CE1-CE2 4.37Å; F591-Y643 HydrophobicContact CE1-CG 4.07Å; F591-Y643 AromaticContact CZ-CD1 3.88Å; F591-Y643 HydrophobicContact CZ-CD1 3.88Å; F591-Y643 HydrophobicContact CZ-CD2 4.02Å; F591-Y643 HydrophobicContact CZ-CE1 4.33Å; F591-Y643 HydrophobicContact CZ-CE2 4.46Å; F591-Y643 AromaticContact CZ-CG 3.72Å; F591-Y643 HydrophobicContact CZ-CG 3.72Å
592H92.9Very high90.2Very high94 Ų9442.7 Ų42.744%0.43522%0.218SC..Hα-helixtrans-62-37.6178.4-65.3137.4000113.1L588 E589 L590 G596L588-H592 VanDerWaalsContact CG-CE1 3.49Å; L588-H592 WeakPolarHBondContact CG-CE1 3.32Å; L588-H592 PolarHBondContact O-N 2.97Å; L588-H592 PolarHBondContact O-ND1 3.29Å; L588-H592 VanDerWaalsContact O-ND1 3.12Å; E589-H592 PolarHBondContact O-N 2.91Å; L590-H592 VanDerWaalsContact C-N 3.33Å; L590-H592 PolarHBondContact O-N 2.76Å; H592-G596 WeakPolarHBondContact O-CA 3.44Å; H592-G596 PolarHBondContact O-N 3.03Å
593S94.1Very high90.5Very high8 Ų838.5 Ų38.56%0.05619%0.194CC..Hα-helixtrans-66.2-49.4178.6-54.40000111.2C533 E589 L590 F591 W597C533-S593 WeakPolarHBondContact CB-O 3.49Å; E589-S593 PolarHBondContact O-N 2.92Å; E589-S593 PolarHBondContact O-OG 3.16Å; L590-S593 PolarHBondContact O-N 3.18Å; F591-S593 VanDerWaalsContact C-N 3.32Å; F591-S593 PolarHBondContact O-N 3.44Å; S593-W597 PolarHBondContact O-N 3.24Å; S593-W597 VanDerWaalsContact O-N 3.12Å
594V95.5Very high90.8Very high0 Ų038.2 Ų38.20%019%0.189CC..Hα-helixtrans-70.5-45.9-178.7179.90000111.3L529 L567 F570 V571 L590 F591 W597 L598L529-V594 HydrophobicContact CD2-CG2 4.31Å; L529-V594 HydrophobicContact CG-CG2 4.35Å; L567-V594 HydrophobicContact CB-CG1 4.39Å; L567-V594 HydrophobicContact CD2-CB 4.47Å; L567-V594 HydrophobicContact CD2-CG1 3.52Å; F570-V594 HydrophobicContact CD1-CB 4.45Å; F570-V594 HydrophobicContact CD1-CG1 3.8Å; F570-V594 HydrophobicContact CD1-CG2 4.32Å; F570-V594 HydrophobicContact CE1-CG1 4.43Å; F570-V594 HydrophobicContact CE1-CG2 4.15Å; V571-V594 HydrophobicContact CG2-CB 4.31Å; V571-V594 HydrophobicContact CG2-CG1 3.56Å; L590-V594 HydrophobicContact CD1-CG2 3.72Å; L590-V594 HydrophobicContact CG-CG2 4.28Å; L590-V594 WeakPolarHBondContact O-CG2 3.24Å; L590-V594 PolarHBondContact O-N 3.39Å; F591-V594 PolarHBondContact O-N 2.91Å; V594-W597 PolarHBondContact O-N 3.1Å; V594-L598 WeakPolarHBondContact O-CB 3.48Å; V594-L598 PolarHBondContact O-N 3.49Å
595H95.2Very high91.2Very high21 Ų2130.3 Ų30.310%0.09716%0.156CC..Hα-helixtrans-62-43.5176.3174.1-102.8000111.1F591 W597 L598 M599 Y643F591-H595 HydrophobicContact CD1-CB 4.48Å; F591-H595 HydrophobicContact CE1-CB 4.17Å; F591-H595 HydrophobicContact CE2-CB 4.48Å; F591-H595 HydrophobicContact CZ-CB 4.17Å; F591-H595 WeakPolarHBondContact O-CB 3.47Å; F591-H595 PolarHBondContact O-N 3.22Å; H595-W597 VanDerWaalsContact C-N 3.3Å; H595-W597 PolarHBondContact O-N 3.03Å; H595-L598 WeakPolarHBondContact O-CB 3.38Å; H595-L598 PolarHBondContact O-N 3.1Å; H595-M599 VanDerWaalsContact CE1-CG 3.48Å; H595-M599 WeakPolarHBondContact CE1-CG 3.4Å; H595-M599 VanDerWaalsContact NE2-CG 3.28Å; H595-M599 WeakPolarHBondContact NE2-CG 3.42Å; H595-M599 WeakPolarHBondContact O-CG 3.49Å; H595-M599 PolarHBondContact O-N 2.77Å; H595-Y643 AromaticContact CE1-CD1 3.76Å; H595-Y643 AromaticContact NE2-CD1 3.89Å; H595-Y643 PolarHBondContact NE2-O 3.33Å
596G93.6Very high91.3Very high2 Ų229.8 Ų29.82%0.02114%0.144CC..Hα-helixtrans-61-40.5177.800000112.4H592 V600 F812H592-G596 WeakPolarHBondContact O-CA 3.44Å; H592-G596 PolarHBondContact O-N 3.03Å; G596-V600 WeakPolarHBondContact O-CG2 3.46Å; G596-V600 PolarHBondContact O-N 3.37Å; G596-F812 VanDerWaalsContact CA-CE1 3.47Å; G596-F812 WeakPolarHBondContact O-CE1 3.41Å
597W94.6Very high91.4Very high0 Ų027.9 Ų27.90%013%0.133CC..Hα-helixtrans-69.6-41.4176.5-173.6-149.3000112.5C533 R537 I540 L560 L567 S593 V594 H595 M599 V600 L601C533-W597 HydrophobicContact CB-CB 4.03Å; C533-W597 HydrophobicContact CB-CG 4.47Å; R537-W597 VanDerWaalsContact CA-CE3 3.42Å; R537-W597 HydrophobicContact CB-CB 4.35Å; R537-W597 HydrophobicContact CB-CD2 4.36Å; R537-W597 HydrophobicContact CB-CE3 3.86Å; R537-W597 HydrophobicContact CG-CE3 4.4Å; I540-W597 HydrophobicContact CB-CH2 3.55Å; I540-W597 HydrophobicContact CB-CZ3 3.61Å; I540-W597 HydrophobicContact CD1-CH2 4.24Å; I540-W597 HydrophobicContact CG1-CH2 3.43Å; I540-W597 VanDerWaalsContact CG1-CH2 3.43Å; I540-W597 HydrophobicContact CG1-CZ2 4.27Å; I540-W597 HydrophobicContact CG1-CZ3 4.03Å; I540-W597 HydrophobicContact CG2-CH2 3.73Å; I540-W597 HydrophobicContact CG2-CZ3 3.72Å; L560-W597 HydrophobicContact CD2-CZ2 4.35Å; L567-W597 HydrophobicContact CD1-CB 4.18Å; L567-W597 HydrophobicContact CD1-CG 3.82Å; S593-W597 PolarHBondContact O-N 3.24Å; S593-W597 VanDerWaalsContact O-N 3.12Å; V594-W597 PolarHBondContact O-N 3.1Å; H595-W597 VanDerWaalsContact C-N 3.3Å; H595-W597 PolarHBondContact O-N 3.03Å; W597-M599 VanDerWaalsContact C-N 3.34Å; W597-M599 PolarHBondContact O-N 3Å; W597-V600 HydrophobicContact CE3-CB 4.02Å; W597-V600 HydrophobicContact CE3-CG1 4.22Å; W597-V600 HydrophobicContact CZ3-CB 4.05Å; W597-V600 HydrophobicContact CZ3-CG1 3.75Å; W597-V600 PolarHBondContact O-N 3.43Å; W597-L601 HydrophobicContact CD2-CD1 4.34Å; W597-L601 HydrophobicContact CD2-CG 4.31Å; W597-L601 HydrophobicContact CE3-CG 4.22Å; W597-L601 HydrophobicContact CH2-CD1 4.22Å; W597-L601 HydrophobicContact CH2-CD2 3.34Å; W597-L601 HydrophobicContact CH2-CG 3.71Å; W597-L601 HydrophobicContact CZ2-CD1 3.85Å; W597-L601 HydrophobicContact CZ2-CD2 3.73Å; W597-L601 HydrophobicContact CZ2-CG 3.88Å; W597-L601 HydrophobicContact CZ3-CD2 3.92Å; W597-L601 HydrophobicContact CZ3-CG 3.93Å; W597-L601 PolarHBondContact O-N 3.5Å
598L95.9Very high91.3Very high0 Ų029.1 Ų29.10%014%0.135CC..Hα-helixtrans-55.8-47.1174.2176.163.1000112.1L567 N568 V571 V594 H595 L601 Y602 W616 I644L567-L598 HydrophobicContact CB-CB 4.09Å; L567-L598 HydrophobicContact CB-CD1 3.99Å; N568-L598 HydrophobicContact CB-CD1 3.85Å; V571-L598 HydrophobicContact CB-CD2 3.98Å; V571-L598 HydrophobicContact CG1-CD2 4.28Å; V571-L598 HydrophobicContact CG2-CD2 3.91Å; V594-L598 WeakPolarHBondContact O-CB 3.48Å; V594-L598 PolarHBondContact O-N 3.49Å; H595-L598 WeakPolarHBondContact O-CB 3.38Å; H595-L598 PolarHBondContact O-N 3.1Å; L598-L601 PolarHBondContact O-N 2.88Å; L598-Y602 WeakPolarHBondContact O-CB 3.31Å; L598-Y602 PolarHBondContact O-N 3.37Å; L598-W616 HydrophobicContact CD1-CE3 4.4Å; L598-W616 HydrophobicContact CD1-CZ3 3.62Å; L598-I644 HydrophobicContact CD2-CG2 3.8Å
599M92.1Very high91.2Very high23 Ų2333.1 Ų33.111%0.11315%0.146CC..Hα-helixtrans-69.4-36.6-176.2-68.4-51.9-59.300112.7H595 W597 L601 Y602 E603 F812H595-M599 VanDerWaalsContact CE1-CG 3.48Å; H595-M599 WeakPolarHBondContact CE1-CG 3.4Å; H595-M599 VanDerWaalsContact NE2-CG 3.28Å; H595-M599 WeakPolarHBondContact NE2-CG 3.42Å; H595-M599 WeakPolarHBondContact O-CG 3.49Å; H595-M599 PolarHBondContact O-N 2.77Å; W597-M599 VanDerWaalsContact C-N 3.34Å; W597-M599 PolarHBondContact O-N 3Å; M599-L601 VanDerWaalsContact C-N 3.32Å; M599-L601 PolarHBondContact O-N 3.19Å; M599-Y602 HydrophobicContact CE-CD1 3.82Å; M599-Y602 HydrophobicContact CE-CE1 4.48Å; M599-Y602 PolarHBondContact O-N 2.81Å; M599-E603 WeakPolarHBondContact O-CB 3.47Å; M599-E603 WeakPolarHBondContact O-CG 3.34Å; M599-E603 PolarHBondContact O-N 2.8Å; M599-F812 HydrophobicContact CB-CD2 3.82Å; M599-F812 HydrophobicContact CB-CE2 3.78Å; M599-F812 HydrophobicContact CB-CG 4.29Å; M599-F812 HydrophobicContact CB-CZ 4.19Å; M599-F812 HydrophobicContact CG-CE2 4.23Å
600V91Very high91.3Very high4 Ų429.7 Ų29.72%0.02413%0.13CC..Hα-helixtrans-60.4-43.5173.4171.40000111.1R537 I540 T541 G596 W597 R604 F812R537-V600 HydrophobicContact CG-CG2 3.97Å; I540-V600 HydrophobicContact CG2-CG1 3.97Å; T541-V600 HydrophobicContact CG2-CG1 4.17Å; T541-V600 HydrophobicContact CG2-CG2 4.14Å; G596-V600 WeakPolarHBondContact O-CG2 3.46Å; G596-V600 PolarHBondContact O-N 3.37Å; W597-V600 HydrophobicContact CE3-CB 4.02Å; W597-V600 HydrophobicContact CE3-CG1 4.22Å; W597-V600 HydrophobicContact CZ3-CB 4.05Å; W597-V600 HydrophobicContact CZ3-CG1 3.75Å; W597-V600 PolarHBondContact O-N 3.43Å; V600-R604 WeakPolarHBondContact O-CB 3.17Å; V600-R604 WeakPolarHBondContact O-CG 3.23Å; V600-R604 PolarHBondContact O-N 3.18Å; V600-R604 VanDerWaalsContact O-N 3.09Å; V600-F812 HydrophobicContact CG2-CB 4.14Å; V600-F812 HydrophobicContact CG2-CD1 3.49Å; V600-F812 VanDerWaalsContact CG2-CD1 3.49Å; V600-F812 HydrophobicContact CG2-CE1 4.31Å; V600-F812 HydrophobicContact CG2-CG 4.13Å
601L92.8Very high91.3Very high2 Ų230 Ų301%0.0113%0.132CC..Hα-helixtrans-65.4-42.5176.5-68.6177.7000112.2L560 I563 L567 W597 L598 M599 R604 D605 F610 W616L560-L601 HydrophobicContact CD2-CD2 4.14Å; I563-L601 HydrophobicContact CG2-CD1 4.01Å; L567-L601 HydrophobicContact CD1-CD1 4.07Å; W597-L601 HydrophobicContact CD2-CD1 4.34Å; W597-L601 HydrophobicContact CD2-CG 4.31Å; W597-L601 HydrophobicContact CE3-CG 4.22Å; W597-L601 HydrophobicContact CH2-CD1 4.22Å; W597-L601 HydrophobicContact CH2-CD2 3.34Å; W597-L601 HydrophobicContact CH2-CG 3.71Å; W597-L601 HydrophobicContact CZ2-CD1 3.85Å; W597-L601 HydrophobicContact CZ2-CD2 3.73Å; W597-L601 HydrophobicContact CZ2-CG 3.88Å; W597-L601 HydrophobicContact CZ3-CD2 3.92Å; W597-L601 HydrophobicContact CZ3-CG 3.93Å; W597-L601 PolarHBondContact O-N 3.5Å; L598-L601 PolarHBondContact O-N 2.88Å; M599-L601 VanDerWaalsContact C-N 3.32Å; M599-L601 PolarHBondContact O-N 3.19Å; L601-R604 PolarHBondContact O-N 2.97Å; L601-D605 WeakPolarHBondContact O-CB 3.29Å; L601-D605 PolarHBondContact O-N 3.4Å; L601-F610 HydrophobicContact CD2-CZ 4.46Å; L601-W616 HydrophobicContact CB-CH2 4.16Å
602Y92.1Very high91.2Very high24 Ų2433.5 Ų33.59%0.09416%0.155CC..Hα-helixtrans-64.9-45.3178.5174.3-107.7000112.6L598 M599 R604 D605 C606 W616 H646L598-Y602 WeakPolarHBondContact O-CB 3.31Å; L598-Y602 PolarHBondContact O-N 3.37Å; M599-Y602 HydrophobicContact CE-CD1 3.82Å; M599-Y602 HydrophobicContact CE-CE1 4.48Å; M599-Y602 PolarHBondContact O-N 2.81Å; Y602-R604 VanDerWaalsContact C-N 3.31Å; Y602-R604 PolarHBondContact O-N 3.41Å; Y602-D605 PolarHBondContact O-N 3.11Å; Y602-C606 VanDerWaalsContact CE2-SG 3.6Å; Y602-C606 PolarHBondContact O-N 3.01Å; Y602-C606 PolarHBondContact O-SG 2.78Å; Y602-W616 AromaticContact CD2-CD2 3.78Å; Y602-W616 HydrophobicContact CD2-CD2 3.78Å; Y602-W616 AromaticContact CD2-CE2 3.83Å; Y602-W616 HydrophobicContact CD2-CE3 4.17Å; Y602-W616 HydrophobicContact CD2-CG 4.05Å; Y602-W616 HydrophobicContact CD2-CZ2 4.27Å; Y602-W616 HydrophobicContact CE2-CD2 4.48Å; Y602-W616 HydrophobicContact CE2-CG 4.29Å; Y602-H646 AromaticContact CD1-ND1 3.95Å; Y602-H646 HydrophobicContact CD2-CB 4.03Å; Y602-H646 AromaticContact CD2-CG 3.93Å; Y602-H646 HydrophobicContact CE1-CB 3.95Å; Y602-H646 HydrophobicContact CE2-CB 3.37Å; Y602-H646 AromaticContact CE2-CG 3.81Å; Y602-H646 AromaticContact CG-ND1 3.99Å; Y602-H646 AromaticContact CZ-CG 3.98Å; Y602-H646 WeakPolarHBondContact OH-CB 3.43Å
603E86.6Confident91Very high51 Ų5134.8 Ų34.824%0.23817%0.165CC..Hα-helixtrans-63.5-39.2177.8-74.1-177.2-170.800111.2M599 C606 R607 F812M599-E603 WeakPolarHBondContact O-CB 3.47Å; M599-E603 WeakPolarHBondContact O-CG 3.34Å; M599-E603 PolarHBondContact O-N 2.8Å; E603-C606 WeakPolarHBondContact O-CB 3.38Å; E603-C606 PolarHBondContact O-N 2.86Å; E603-R607 PolarHBondContact O-N 2.91Å; E603-F812 WeakPolarHBondContact OE2-CB 3.38Å
604R87.1Confident90.8Very high9 Ų939.7 Ų39.73%0.03419%0.19CC..Hα-helixtrans-63.5-45173.1-80-170.4163.9-122-1.5112.6I540 L543 D545 Y549 V600 L601 Y602 C606 R607 R608 D817I540-R604 PolarHBondContact O-NH2 3.08Å; L543-R604 PolarHBondContact O-NH2 3.09Å; D545-R604 IonicContact OD1-NH1 3.27Å; Y549-R604 PolarHBondContact OH-O 2.86Å; V600-R604 WeakPolarHBondContact O-CB 3.17Å; V600-R604 WeakPolarHBondContact O-CG 3.23Å; V600-R604 PolarHBondContact O-N 3.18Å; V600-R604 VanDerWaalsContact O-N 3.09Å; L601-R604 PolarHBondContact O-N 2.97Å; Y602-R604 VanDerWaalsContact C-N 3.31Å; Y602-R604 PolarHBondContact O-N 3.41Å; R604-C606 VanDerWaalsContact C-N 3.31Å; R604-C606 PolarHBondContact O-N 3.39Å; R604-R607 PolarHBondContact O-N 2.82Å; R604-R607 VanDerWaalsContact O-N 3.14Å; R604-R608 PolarHBondContact O-N 2.92Å; R604-D817 IonicContact CZ-OD2 2.71Å; R604-D817 IonicContact NE-OD2 3.58Å; R604-D817 IonicContact NH2-OD1 2.67Å; R604-D817 IonicContact NH2-OD2 3.61Å; R604-D817 PolarHBondContact NH2-OD2 2.95Å
605D90.6Very high90.7Very high13 Ų1341.4 Ų41.47%0.0720%0.198CC..Hα-helixtrans-64-35.5176.6-17167.9000112.3L601 Y602 R607 R608 R609 F610 T611 W616L601-D605 WeakPolarHBondContact O-CB 3.29Å; L601-D605 PolarHBondContact O-N 3.4Å; Y602-D605 PolarHBondContact O-N 3.11Å; D605-R607 PolarHBondContact O-N 3.46Å; D605-R608 CarbonylContact O-C 3.28Å; D605-R609 VanDerWaalsContact O-CA 3.31Å; D605-R609 WeakPolarHBondContact O-CA 3.23Å; D605-R609 PolarHBondContact O-N 3.48Å; D605-R609 WeakPolarHBondContact OD1-CA 3.48Å; D605-F610 HydrophobicContact CB-CD1 3.96Å; D605-F610 HydrophobicContact CB-CE1 3.56Å; D605-F610 HydrophobicContact CB-CZ 4.24Å; D605-F610 WeakPolarHBondContact OD1-CD1 3.42Å; D605-F610 PolarHBondContact OD1-N 3.4Å; D605-T611 VanDerWaalsContact CG-OG1 3.23Å; D605-T611 WeakPolarHBondContact OD1-CG2 3.19Å; D605-T611 PolarHBondContact OD1-N 2.72Å; D605-T611 PolarHBondContact OD1-OG1 3.32Å; D605-T611 VanDerWaalsContact OD1-OG1 3.07Å; D605-T611 PolarHBondContact OD2-OG1 3.07Å; D605-W616 HydrophobicContact CB-CZ2 3.87Å; D605-W616 PolarHBondContact OD2-NE1 3.1Å
606C86.1Confident90.7Very high36 Ų3641.4 Ų41.424%0.24320%0.197CC..Hα-helixtrans-61.9-32.2174.1-73.20000112.9Y602 E603 R604Y602-C606 VanDerWaalsContact CE2-SG 3.6Å; Y602-C606 PolarHBondContact O-N 3.01Å; Y602-C606 PolarHBondContact O-SG 2.78Å; E603-C606 WeakPolarHBondContact O-CB 3.38Å; E603-C606 PolarHBondContact O-N 2.86Å; R604-C606 VanDerWaalsContact C-N 3.31Å; R604-C606 PolarHBondContact O-N 3.39Å
607R83.1Confident90.7Very high66 Ų6643.6 Ų43.625%0.24921%0.208CC..Hα-helixtrans-85.2-50.3-179.8-176.6172.360.1808.1111.7D545 E603 R604 D605 D817 E818D545-R607 VanDerWaalsContact CG-NH1 3.28Å; D545-R607 IonicContact OD1-CZ 3.81Å; D545-R607 IonicContact OD1-NH1 2.96Å; D545-R607 PolarHBondContact OD1-NH1 3.13Å; D545-R607 VanDerWaalsContact OD1-NH1 3.14Å; D545-R607 IonicContact OD1-NH2 3.41Å; D545-R607 PolarHBondContact OD1-NH2 3.28Å; D545-R607 IonicContact OD2-CZ 2.93Å; D545-R607 IonicContact OD2-NH1 2.98Å; D545-R607 PolarHBondContact OD2-NH1 2.92Å; D545-R607 IonicContact OD2-NH2 3.77Å; E603-R607 PolarHBondContact O-N 2.91Å; R604-R607 PolarHBondContact O-N 2.82Å; R604-R607 VanDerWaalsContact O-N 3.14Å; D605-R607 PolarHBondContact O-N 3.46Å; R607-D817 PolarHBondContact NH1-O 3.34Å; R607-D817 IonicContact NH2-OD2 2.85Å; R607-E818 WeakPolarHBondContact CD-OE1 3.22Å
608R85.6Confident90.5Very high97 Ų9745.7 Ų45.737%0.36622%0.216SC..SBendtrans-133.7104.1175.8-176.8177179.31770.7108.8Y549 E550 R604 D605 F610Y549-R608 HydrophobicContact CE1-CG 4.37Å; Y549-R608 HydrophobicContact CE2-CB 4.3Å; Y549-R608 HydrophobicContact CE2-CG 4.46Å; Y549-R608 PolarHBondContact OH-O 3.4Å; E550-R608 IonicContact OE1-NH1 3.42Å; R604-R608 PolarHBondContact O-N 2.92Å; D605-R608 CarbonylContact O-C 3.28Å; R608-F610 PolarHBondContact O-N 2.79Å
609R88.7Confident90Very high145 Ų14555.3 Ų55.355%0.54726%0.258SS..  trans-62.1126.6-176.9-167.1179.8-174.717013.6111.5D605 T611 P612 D613D605-R609 VanDerWaalsContact O-CA 3.31Å; D605-R609 WeakPolarHBondContact O-CA 3.23Å; D605-R609 PolarHBondContact O-N 3.48Å; D605-R609 WeakPolarHBondContact OD1-CA 3.48Å; R609-T611 PolarHBondContact NE-O 2.92Å; R609-P612 PolarHBondContact NH2-O 3.24Å; R609-D613 IonicContact CZ-OD1 3.44Å; R609-D613 IonicContact NH1-OD1 3.98Å; R609-D613 PolarHBondContact NH1-OD1 3.07Å; R609-D613 IonicContact NH2-OD1 3.93Å; R609-D613 PolarHBondContact NH2-OD1 3.39Å
610F92.3Very high89.6Confident26 Ų2658.1 Ų58.111%0.11427%0.273CS..  trans-129-10.9172.267.3-89.5000112.6Y549 I557 L560 I561 L601 D605 R608Y549-F610 HydrophobicContact CE1-CB 4.08Å; Y549-F610 AromaticContact CE1-CD1 3.81Å; Y549-F610 HydrophobicContact CE1-CD1 3.81Å; Y549-F610 HydrophobicContact CE1-CG 4.2Å; I557-F610 HydrophobicContact CD1-CB 4.27Å; I557-F610 HydrophobicContact CG2-CB 4.11Å; I557-F610 HydrophobicContact CG2-CD2 4.19Å; L560-F610 HydrophobicContact CB-CE2 3.93Å; I561-F610 WeakPolarHBondContact CD1-O 3.39Å; I561-F610 HydrophobicContact CG1-CD2 4.02Å; I561-F610 HydrophobicContact CG1-CE2 4.28Å; L601-F610 HydrophobicContact CD2-CZ 4.46Å; D605-F610 HydrophobicContact CB-CD1 3.96Å; D605-F610 HydrophobicContact CB-CE1 3.56Å; D605-F610 HydrophobicContact CB-CZ 4.24Å; D605-F610 WeakPolarHBondContact OD1-CD1 3.42Å; D605-F610 PolarHBondContact OD1-N 3.4Å; R608-F610 PolarHBondContact O-N 2.79Å
611T93.4Very high89.4Confident8 Ų858.5 Ų58.55%0.04928%0.276CS..SBendtrans-95.1153.5178.468.70000113.1I561 D605 R609 W616I561-T611 HydrophobicContact CG1-CG2 4.33Å; D605-T611 VanDerWaalsContact CG-OG1 3.23Å; D605-T611 WeakPolarHBondContact OD1-CG2 3.19Å; D605-T611 PolarHBondContact OD1-N 2.72Å; D605-T611 PolarHBondContact OD1-OG1 3.32Å; D605-T611 VanDerWaalsContact OD1-OG1 3.07Å; D605-T611 PolarHBondContact OD2-OG1 3.07Å; R609-T611 PolarHBondContact NE-O 2.92Å; T611-W616 HydrophobicContact CG2-CZ2 4Å; T611-W616 PolarHBondContact OG1-NE1 3.44Å
612P92.7Very high89.2Confident75 Ų7565.4 Ų65.449%0.48731%0.305SS..PPolyproline II helixtrans-61.3168.5173.4-2334000114.4R609 H615R609-P612 PolarHBondContact NH2-O 3.24Å; P612-H615 WeakPolarHBondContact O-CB 3.26Å; P612-H615 PolarHBondContact O-N 3.41Å
613D87.9Confident89Confident121 Ų12166.6 Ų66.665%0.64732%0.316SS*.THydrogen-bonded Turntrans-57.7140.6168.6-68-51.5000111.9R609 H615R609-D613 IonicContact CZ-OD1 3.44Å; R609-D613 IonicContact NH1-OD1 3.98Å; R609-D613 PolarHBondContact NH1-OD1 3.07Å; R609-D613 IonicContact NH2-OD1 3.93Å; R609-D613 PolarHBondContact NH2-OD1 3.39Å; D613-H615 PolarHBondContact O-N 2.95Å
614D89.6Confident89Confident111 Ų11168.3 Ų68.359%0.59433%0.333SS*.THydrogen-bonded Turntrans60.59.4179.8-56.9-31.3000116.8W616 L617D614-W616 PolarHBondContact O-N 2.81Å; D614-L617 HydrophobicContact CB-CB 4.48Å; D614-L617 HydrophobicContact CB-CD1 3.95Å; D614-L617 HydrophobicContact CB-CG 4.34Å; D614-L617 WeakPolarHBondContact O-CB 3.05Å; D614-L617 PolarHBondContact O-N 3.12Å; D614-L617 VanDerWaalsContact OD1-CD1 3.27Å; D614-L617 WeakPolarHBondContact OD1-CD1 3.48Å
615H93.8Very high89.2Confident35 Ų3571 Ų7116%0.16235%0.349CS..THydrogen-bonded Turntrans-52.3-41.1-179.3178.875.8000113.7I561 S564 P612 D613 L617I561-H615 PolarHBondContact O-CE1 2.76Å; I561-H615 VanDerWaalsContact O-CE1 3.29Å; S564-H615 PolarHBondContact OG-NE2 3.43Å; P612-H615 WeakPolarHBondContact O-CB 3.26Å; P612-H615 PolarHBondContact O-N 3.41Å; D613-H615 PolarHBondContact O-N 2.95Å; H615-L617 VanDerWaalsContact C-N 3.34Å
616W94.5Very high89.1Confident21 Ų2170.4 Ų70.48%0.0835%0.345CS..THydrogen-bonded Turntrans-79.1-15.8-178.2-60.5109000113.7N568 L598 L601 Y602 D605 T611 D614 V647N568-W616 PolarHBondContact ND2-O 2.86Å; L598-W616 HydrophobicContact CD1-CE3 4.4Å; L598-W616 HydrophobicContact CD1-CZ3 3.62Å; L601-W616 HydrophobicContact CB-CH2 4.16Å; Y602-W616 AromaticContact CD2-CD2 3.78Å; Y602-W616 HydrophobicContact CD2-CD2 3.78Å; Y602-W616 AromaticContact CD2-CE2 3.83Å; Y602-W616 HydrophobicContact CD2-CE3 4.17Å; Y602-W616 HydrophobicContact CD2-CG 4.05Å; Y602-W616 HydrophobicContact CD2-CZ2 4.27Å; Y602-W616 HydrophobicContact CE2-CD2 4.48Å; Y602-W616 HydrophobicContact CE2-CG 4.29Å; D605-W616 HydrophobicContact CB-CZ2 3.87Å; D605-W616 PolarHBondContact OD2-NE1 3.1Å; T611-W616 HydrophobicContact CG2-CZ2 4Å; T611-W616 PolarHBondContact OG1-NE1 3.44Å; D614-W616 PolarHBondContact O-N 2.81Å; W616-V647 WeakPolarHBondContact O-CA 3.4Å
617L93.5Very high89.2Confident49 Ų4971 Ų7126%0.25734%0.343SS..  trans-81.6143.5-173.2-58.8-176.1000112.7D614 H615 P649D614-L617 HydrophobicContact CB-CB 4.48Å; D614-L617 HydrophobicContact CB-CD1 3.95Å; D614-L617 HydrophobicContact CB-CG 4.34Å; D614-L617 WeakPolarHBondContact O-CB 3.05Å; D614-L617 PolarHBondContact O-N 3.12Å; D614-L617 VanDerWaalsContact OD1-CD1 3.27Å; D614-L617 WeakPolarHBondContact OD1-CD1 3.48Å; H615-L617 VanDerWaalsContact C-N 3.34Å; L617-P649 HydrophobicContact CD1-CG 4.42Å; L617-P649 HydrophobicContact CD2-CG 4.4Å
618R91.8Very high89.6Confident44 Ų4472 Ų7217%0.16635%0.351CS..  trans-99.6105.1177.3-66.6-54.1-49.8-175.6-5111.6T569 Y572 D620 L621 V647T569-R618 PolarHBondContact OG1-NH1 3.02Å; Y572-R618 HydrophobicContact CD1-CG 4.4Å; Y572-R618 HydrophobicContact CD2-CG 4.03Å; Y572-R618 HydrophobicContact CE2-CB 4.46Å; Y572-R618 HydrophobicContact CE2-CG 4.42Å; Y572-R618 HydrophobicContact CG-CG 4.02Å; R618-D620 WeakPolarHBondContact CB-OD1 3.4Å; R618-D620 IonicContact CZ-OD1 2.97Å; R618-D620 IonicContact CZ-OD2 3.91Å; R618-D620 IonicContact NE-OD1 3.93Å; R618-D620 PolarHBondContact NE-OD1 3.45Å; R618-D620 IonicContact NE-OD2 2.8Å; R618-D620 IonicContact NH2-OD1 3.7Å; R618-D620 PolarHBondContact NH2-OD1 3.07Å; R618-D620 VanDerWaalsContact NH2-OD1 3.16Å; R618-D620 IonicContact NH2-OD2 2.77Å; R618-D620 PolarHBondContact NH2-OD2 3.2Å; R618-D620 PolarHBondContact O-N 3.17Å; R618-L621 HydrophobicContact CB-CB 4.12Å; R618-L621 PolarHBondContact O-N 3.14Å; R618-L621 VanDerWaalsContact O-N 3.11Å; R618-V647 HydrophobicContact CB-CB 4.28Å; R618-V647 HydrophobicContact CG-CB 3.65Å; R618-V647 HydrophobicContact CG-CG1 3.8Å; R618-V647 HydrophobicContact CG-CG2 4.49Å; R618-V647 PolarHBondContact N-O 2.95Å
619K84.4Confident89.9Confident202 Ų20268.2 Ų68.288%0.87834%0.338SS*.THydrogen-bonded Turntrans-63.4-25.7179.9-62.1-176.7-179.3-179.80113.3L621K619-L621 VanDerWaalsContact C-N 3.34Å
620D83.9Confident89.9Confident81 Ų8163 Ų6343%0.43332%0.321SS..THydrogen-bonded Turntrans-76-17177.240.4-21.1000113.7Y572 R618Y572-D620 VanDerWaalsContact CE1-OD2 3.29Å; Y572-D620 WeakPolarHBondContact CE1-OD2 3.4Å; R618-D620 WeakPolarHBondContact CB-OD1 3.4Å; R618-D620 IonicContact CZ-OD1 2.97Å; R618-D620 IonicContact CZ-OD2 3.91Å; R618-D620 IonicContact NE-OD1 3.93Å; R618-D620 PolarHBondContact NE-OD1 3.45Å; R618-D620 IonicContact NE-OD2 2.8Å; R618-D620 IonicContact NH2-OD1 3.7Å; R618-D620 PolarHBondContact NH2-OD1 3.07Å; R618-D620 VanDerWaalsContact NH2-OD1 3.16Å; R618-D620 IonicContact NH2-OD2 2.77Å; R618-D620 PolarHBondContact NH2-OD2 3.2Å; R618-D620 PolarHBondContact O-N 3.17Å
621L87.6Confident89.7Confident13 Ų1368.6 Ų68.67%0.06835%0.347CS..  trans-91.8105.3179.2-177.362.5000111.4Y572 W576 R618 K619 P623 L626 L640 V647 I648Y572-L621 HydrophobicContact CE2-CB 4.3Å; Y572-L621 HydrophobicContact CE2-CD1 4.48Å; Y572-L621 HydrophobicContact CE2-CD2 4.38Å; W576-L621 HydrophobicContact CD2-CD1 4.49Å; W576-L621 HydrophobicContact CE3-CD1 4.1Å; W576-L621 HydrophobicContact CH2-CD1 3.35Å; W576-L621 HydrophobicContact CZ2-CD1 3.78Å; W576-L621 HydrophobicContact CZ3-CD1 3.53Å; R618-L621 HydrophobicContact CB-CB 4.12Å; R618-L621 PolarHBondContact O-N 3.14Å; R618-L621 VanDerWaalsContact O-N 3.11Å; K619-L621 VanDerWaalsContact C-N 3.34Å; L621-P623 WeakPolarHBondContact O-CD 3.25Å; L621-L626 HydrophobicContact CD1-CB 4.3Å; L621-L626 HydrophobicContact CD2-CD2 4.4Å; L621-L640 HydrophobicContact CD2-CD1 4.01Å; L621-L640 HydrophobicContact CD2-CD2 4.32Å; L621-V647 HydrophobicContact CD2-CG2 4.31Å; L621-I648 HydrophobicContact CD2-CG1 3.99Å
622K88.8Confident89.5Confident147 Ų14774 Ų7464%0.63937%0.37SS*.  trans-75.7124.6172.4-68.2-173.4-179.7-178.10110.6S624 L625 L626K622-S624 VanDerWaalsContact C-N 3.29Å; K622-S624 PolarHBondContact O-N 3.25Å; K622-L625 HydrophobicContact CB-CB 4.27Å; K622-L625 PolarHBondContact O-N 3.28Å; K622-L625 VanDerWaalsContact O-N 3.13Å; K622-L626 PolarHBondContact O-N 3.38Å
623P86.4Confident89.3Confident48 Ų4872.3 Ų72.331%0.31237%0.367SS..Hα-helixtrans-58.2-37.3-179-27.535.9000114.2L621 L625 L626 F627 N652L621-P623 WeakPolarHBondContact O-CD 3.25Å; P623-L625 VanDerWaalsContact C-N 3.35Å; P623-L625 PolarHBondContact O-N 3.17Å; P623-L626 WeakPolarHBondContact O-CB 3.32Å; P623-L626 PolarHBondContact O-N 3.31Å; P623-F627 WeakPolarHBondContact O-CG 3.45Å; P623-F627 PolarHBondContact O-N 3.33Å; P623-N652 VanDerWaalsContact CB-ND2 3.27Å; P623-N652 WeakPolarHBondContact CB-ND2 3.41Å; P623-N652 WeakPolarHBondContact CG-ND2 3.41Å
624S87.7Confident89.5Confident87 Ų8771.5 Ų71.561%0.60836%0.357SS*.Hα-helixtrans-62.9-39.5178.151.20000112.9K622 Q628K622-S624 VanDerWaalsContact C-N 3.29Å; K622-S624 PolarHBondContact O-N 3.25Å; S624-Q628 WeakPolarHBondContact O-CB 3.24Å; S624-Q628 PolarHBondContact O-N 2.88Å; S624-Q628 VanDerWaalsContact O-N 3.12Å
625L90.8Very high89.6Confident67 Ų6772.3 Ų72.335%0.35136%0.355SS..Hα-helixtrans-67.1-43176179.162.1000110.8W576 K622 P623 F627 Q628 E629W576-L625 HydrophobicContact CZ2-CD2 3.89Å; W576-L625 HydrophobicContact CZ2-CG 4.37Å; K622-L625 HydrophobicContact CB-CB 4.27Å; K622-L625 PolarHBondContact O-N 3.28Å; K622-L625 VanDerWaalsContact O-N 3.13Å; P623-L625 VanDerWaalsContact C-N 3.35Å; P623-L625 PolarHBondContact O-N 3.17Å; L625-F627 PolarHBondContact O-N 3.46Å; L625-Q628 PolarHBondContact O-N 3.19Å; L625-E629 HydrophobicContact CD1-CG 4.19Å; L625-E629 HydrophobicContact CG-CG 4.45Å; L625-E629 VanDerWaalsContact O-CG 3.26Å; L625-E629 WeakPolarHBondContact O-CG 2.98Å; L625-E629 PolarHBondContact O-N 3.09Å
626L88.9Confident89.4Confident0 Ų074 Ų740%036%0.36CS..Hα-helixtrans-58.4-48.1176.617970000111.4W576 L621 K622 P623 Q628 E629 L630 A637 L640 I648W576-L626 HydrophobicContact CZ3-CD1 4.18Å; L621-L626 HydrophobicContact CD1-CB 4.3Å; L621-L626 HydrophobicContact CD2-CD2 4.4Å; K622-L626 PolarHBondContact O-N 3.38Å; P623-L626 WeakPolarHBondContact O-CB 3.32Å; P623-L626 PolarHBondContact O-N 3.31Å; L626-Q628 VanDerWaalsContact C-N 3.35Å; L626-Q628 PolarHBondContact O-N 2.84Å; L626-E629 PolarHBondContact O-N 3.16Å; L626-L630 HydrophobicContact CD1-CD1 4.39Å; L626-L630 HydrophobicContact CG-CD1 4.04Å; L626-L630 WeakPolarHBondContact O-CG 3.47Å; L626-L630 PolarHBondContact O-N 3.28Å; L626-A637 HydrophobicContact CD1-CB 4.03Å; L626-L640 HydrophobicContact CD1-CD2 4.49Å; L626-I648 HydrophobicContact CD2-CD1 3.44Å; L626-I648 VanDerWaalsContact CD2-CD1 3.44Å; L626-I648 HydrophobicContact CD2-CG1 3.76Å; L626-I648 HydrophobicContact CD2-CG2 4.3Å
627F88.8Confident89.3Confident47 Ų4773 Ų7321%0.20636%0.356CS..Hα-helixtrans-61.6-43.3179.8-65.9-9.7000111.7P623 L625 E629 L630 E631 N652 L656P623-F627 WeakPolarHBondContact O-CG 3.45Å; P623-F627 PolarHBondContact O-N 3.33Å; L625-F627 PolarHBondContact O-N 3.46Å; F627-E629 VanDerWaalsContact C-N 3.35Å; F627-E629 PolarHBondContact O-N 2.96Å; F627-L630 PolarHBondContact O-N 3.4Å; F627-E631 WeakPolarHBondContact O-CG 3.35Å; F627-E631 PolarHBondContact O-N 2.7Å; F627-N652 HydrophobicContact CZ-CB 4.04Å; F627-L656 HydrophobicContact CD1-CD1 4.2Å; F627-L656 HydrophobicContact CD1-CD2 3.4Å; F627-L656 VanDerWaalsContact CD1-CD2 3.4Å; F627-L656 HydrophobicContact CD1-CG 3.88Å; F627-L656 HydrophobicContact CE1-CD1 3.63Å; F627-L656 HydrophobicContact CE1-CD2 3.35Å; F627-L656 HydrophobicContact CE1-CG 3.27Å; F627-L656 HydrophobicContact CG-CD2 4.29Å; F627-L656 HydrophobicContact CZ-CD2 4.17Å; F627-L656 HydrophobicContact CZ-CG 3.96Å
628Q90.2Very high89.2Confident89 Ų8975.4 Ų75.442%0.41637%0.366SS..Hα-helixtrans-61.9-40.7176.4-171-174.92500112.5S624 L625 L626 K632S624-Q628 WeakPolarHBondContact O-CB 3.24Å; S624-Q628 PolarHBondContact O-N 2.88Å; S624-Q628 VanDerWaalsContact O-N 3.12Å; L625-Q628 PolarHBondContact O-N 3.19Å; L626-Q628 VanDerWaalsContact C-N 3.35Å; L626-Q628 PolarHBondContact O-N 2.84Å; Q628-K632 HydrophobicContact CG-CD 4.41Å; Q628-K632 VanDerWaalsContact O-CG 3.31Å; Q628-K632 WeakPolarHBondContact O-CG 3.48Å; Q628-K632 PolarHBondContact O-N 3.02Å; Q628-K632 VanDerWaalsContact O-N 3.12Å
629E91.6Very high89.2Confident16 Ų1674.7 Ų74.78%0.07537%0.366CS..Hα-helixtrans-69.8-35.9178.9-69.5-78.8123.600112L625 L626 F627 K632 G633 K634 R636 A637L625-E629 HydrophobicContact CD1-CG 4.19Å; L625-E629 HydrophobicContact CG-CG 4.45Å; L625-E629 VanDerWaalsContact O-CG 3.26Å; L625-E629 WeakPolarHBondContact O-CG 2.98Å; L625-E629 PolarHBondContact O-N 3.09Å; L626-E629 PolarHBondContact O-N 3.16Å; F627-E629 VanDerWaalsContact C-N 3.35Å; F627-E629 PolarHBondContact O-N 2.96Å; E629-K632 CarbonylContact O-C 3.58Å; E629-K632 PolarHBondContact O-N 3.29Å; E629-G633 PolarHBondContact O-N 3.35Å; E629-K634 HydrophobicContact CB-CB 4.18Å; E629-K634 HydrophobicContact CB-CG 4.36Å; E629-K634 WeakPolarHBondContact O-CB 3.28Å; E629-K634 PolarHBondContact O-N 3.37Å; E629-K634 VanDerWaalsContact OE2-CG 3.28Å; E629-K634 WeakPolarHBondContact OE2-CG 3.44Å; E629-R636 IonicContact OE1-NH2 3.38Å; E629-R636 IonicContact OE2-CZ 2.63Å; E629-R636 VanDerWaalsContact OE2-CZ 3.27Å; E629-R636 IonicContact OE2-NE 3.84Å; E629-R636 PolarHBondContact OE2-NE 3.28Å; E629-R636 IonicContact OE2-NH2 3.89Å; E629-R636 PolarHBondContact OE2-NH2 2.82Å; E629-A637 HydrophobicContact CB-CB 3.95Å
630L88.9Confident89.6Confident37 Ų3765.1 Ų65.119%0.19432%0.324CS..Hα-helixtrans-65.1-43.9173.4-73.7168000111.9L626 F627 K632 G633 A637 Q638 L641 L656L626-L630 HydrophobicContact CD1-CD1 4.39Å; L626-L630 HydrophobicContact CG-CD1 4.04Å; L626-L630 WeakPolarHBondContact O-CG 3.47Å; L626-L630 PolarHBondContact O-N 3.28Å; F627-L630 PolarHBondContact O-N 3.4Å; L630-K632 VanDerWaalsContact C-N 3.25Å; L630-K632 PolarHBondContact O-N 2.99Å; L630-G633 PolarHBondContact O-N 3.24Å; L630-A637 HydrophobicContact CD2-CB 3.74Å; L630-A637 HydrophobicContact CG-CB 3.92Å; L630-Q638 HydrophobicContact CD2-CG 4.45Å; L630-L641 HydrophobicContact CD1-CD1 3.73Å; L630-L641 HydrophobicContact CD1-CG 4.46Å; L630-L641 HydrophobicContact CD2-CD1 3.57Å; L630-L641 HydrophobicContact CD2-CG 4.32Å; L630-L641 HydrophobicContact CG-CD1 4.32Å; L630-L656 HydrophobicContact CD1-CD1 4.06Å; L630-L656 HydrophobicContact CD1-CD2 3.87Å
631E87.8Confident89.9Confident143 Ų14362.5 Ų62.567%0.66831%0.31SS*.Hα-helixtrans-61.8-34.6175.2-73.9177.4169.600112.5F627 G633F627-E631 WeakPolarHBondContact O-CG 3.35Å; F627-E631 PolarHBondContact O-N 2.7Å; E631-G633 PolarHBondContact O-N 3.23Å
632K90.8Very high90Very high120 Ų12067.6 Ų67.652%0.52233%0.333SS..THydrogen-bonded Turntrans-78.81173.8-68.9174.7-173.9171.40113.7Q628 E629 L630 K634Q628-K632 HydrophobicContact CG-CD 4.41Å; Q628-K632 VanDerWaalsContact O-CG 3.31Å; Q628-K632 WeakPolarHBondContact O-CG 3.48Å; Q628-K632 PolarHBondContact O-N 3.02Å; Q628-K632 VanDerWaalsContact O-N 3.12Å; E629-K632 CarbonylContact O-C 3.58Å; E629-K632 PolarHBondContact O-N 3.29Å; L630-K632 VanDerWaalsContact C-N 3.25Å; L630-K632 PolarHBondContact O-N 2.99Å; K632-K634 VanDerWaalsContact C-N 3.34Å; K632-K634 HydrophobicContact CB-CG 4.14Å; K632-K634 PolarHBondContact O-N 2.91Å
633G88.2Confident90.1Very high41 Ų4163.3 Ų63.342%0.42331%0.314SS..THydrogen-bonded Turntrans65.231.3179.100000114.3E629 L630 E631E629-G633 PolarHBondContact O-N 3.35Å; L630-G633 PolarHBondContact O-N 3.24Å; E631-G633 PolarHBondContact O-N 3.23Å
634K92Very high90.4Very high103 Ų10361 Ų6145%0.44830%0.299SS..  trans-73.7128.1-178.3-68.4-79-173.6-176.40111.2E629 K632 R636 A637 Q638E629-K634 HydrophobicContact CB-CB 4.18Å; E629-K634 HydrophobicContact CB-CG 4.36Å; E629-K634 WeakPolarHBondContact O-CB 3.28Å; E629-K634 PolarHBondContact O-N 3.37Å; E629-K634 VanDerWaalsContact OE2-CG 3.28Å; E629-K634 WeakPolarHBondContact OE2-CG 3.44Å; K632-K634 VanDerWaalsContact C-N 3.34Å; K632-K634 HydrophobicContact CB-CG 4.14Å; K632-K634 PolarHBondContact O-N 2.91Å; K634-R636 PolarHBondContact O-N 3.28Å; K634-A637 PolarHBondContact O-N 2.94Å; K634-A637 VanDerWaalsContact O-N 3.15Å; K634-Q638 PolarHBondContact O-N 3.09Å
635K90.6Very high90.7Very high128 Ų12857.5 Ų57.556%0.55727%0.274SS*.Hα-helixtrans-56.7-48.4-176-74.3-173.9178-176.90113.2E581 A637 Q638 L639E581-K635 HydrophobicContact CG-CB 4.08Å; E581-K635 WeakPolarHBondContact OE1-CB 3.43Å; K635-A637 PolarHBondContact O-N 3.46Å; K635-A637 VanDerWaalsContact O-N 3.15Å; K635-Q638 WeakPolarHBondContact O-CB 3.48Å; K635-Q638 PolarHBondContact O-N 3.22Å; K635-L639 WeakPolarHBondContact O-CG 3.32Å; K635-L639 PolarHBondContact O-N 2.95Å
636R91Very high90.8Very high70 Ų7054.5 Ų54.526%0.26426%0.258SS..Hα-helixtrans-50.2-38.3175.763178.8180175.4-1.6114.8I575 E581 E629 K634 L640I575-R636 VanDerWaalsContact CG2-O 3.3Å; I575-R636 WeakPolarHBondContact CG2-O 3.49Å; I575-R636 WeakPolarHBondContact O-CB 3.47Å; E581-R636 WeakPolarHBondContact OE1-CB 3.47Å; E581-R636 PolarHBondContact OE1-N 3.46Å; E629-R636 IonicContact OE1-NH2 3.38Å; E629-R636 IonicContact OE2-CZ 2.63Å; E629-R636 VanDerWaalsContact OE2-CZ 3.27Å; E629-R636 IonicContact OE2-NE 3.84Å; E629-R636 PolarHBondContact OE2-NE 3.28Å; E629-R636 IonicContact OE2-NH2 3.89Å; E629-R636 PolarHBondContact OE2-NH2 2.82Å; K634-R636 PolarHBondContact O-N 3.28Å; R636-L640 WeakPolarHBondContact O-CB 3.42Å; R636-L640 PolarHBondContact O-N 3.45Å
637A91.4Very high91Very high0 Ų054.6 Ų54.60%026%0.259CS..Hα-helixtrans-75-37.5-179.100000111.4L626 E629 L630 K634 K635 L640 L641L626-A637 HydrophobicContact CD1-CB 4.03Å; E629-A637 HydrophobicContact CB-CB 3.95Å; L630-A637 HydrophobicContact CD2-CB 3.74Å; L630-A637 HydrophobicContact CG-CB 3.92Å; K634-A637 PolarHBondContact O-N 2.94Å; K634-A637 VanDerWaalsContact O-N 3.15Å; K635-A637 PolarHBondContact O-N 3.46Å; K635-A637 VanDerWaalsContact O-N 3.15Å; A637-L640 PolarHBondContact O-N 3.34Å; A637-L641 PolarHBondContact O-N 3.25Å
638Q91.3Very high91.2Very high100 Ų10052.4 Ų52.447%0.46725%0.249SC..Hα-helixtrans-64.9-45.3173.2-65172.5-20.500111.4L630 K634 K635 L640 L641 Q642L630-Q638 HydrophobicContact CD2-CG 4.45Å; K634-Q638 PolarHBondContact O-N 3.09Å; K635-Q638 WeakPolarHBondContact O-CB 3.48Å; K635-Q638 PolarHBondContact O-N 3.22Å; Q638-L640 VanDerWaalsContact C-N 3.31Å; Q638-L640 PolarHBondContact O-N 2.85Å; Q638-L641 PolarHBondContact O-N 3.29Å; Q638-Q642 WeakPolarHBondContact O-CB 3.23Å; Q638-Q642 PolarHBondContact O-N 3.41Å
639L92.2Very high91.3Very high30 Ų3050.4 Ų50.416%0.15724%0.244CC..Hα-helixtrans-62.1-37.7177-69.3170.3000111.9I575 L580 E581 K635 Q642 Y643I575-L639 HydrophobicContact CG2-CB 3.79Å; L580-L639 HydrophobicContact CD2-CD1 4.28Å; L580-L639 HydrophobicContact CD2-CD2 4.42Å; L580-L639 HydrophobicContact CG-CD1 4.5Å; E581-L639 HydrophobicContact CG-CD1 4.01Å; K635-L639 WeakPolarHBondContact O-CG 3.32Å; K635-L639 PolarHBondContact O-N 2.95Å; L639-Q642 PolarHBondContact O-N 3.26Å; L639-Y643 HydrophobicContact CB-CD2 4.42Å; L639-Y643 HydrophobicContact CD2-CD2 4.17Å; L639-Y643 HydrophobicContact CD2-CE2 3.72Å; L639-Y643 WeakPolarHBondContact O-CD2 3.16Å; L639-Y643 PolarHBondContact O-N 2.92Å
640L92.9Very high91.2Very high0 Ų051 Ų510%025%0.247CC..Hα-helixtrans-63.6-44.4176.6-172.2154.8000111.4Y572 I575 W576 L621 L626 R636 A637 Q638 Q642 I644 V647 I648Y572-L640 HydrophobicContact CD2-CD1 3.89Å; Y572-L640 HydrophobicContact CE2-CD1 3.73Å; I575-L640 HydrophobicContact CG2-CB 4.05Å; W576-L640 HydrophobicContact CE3-CD1 3.74Å; W576-L640 HydrophobicContact CZ3-CD1 4.06Å; L621-L640 HydrophobicContact CD2-CD1 4.01Å; L621-L640 HydrophobicContact CD2-CD2 4.32Å; L626-L640 HydrophobicContact CD1-CD2 4.49Å; R636-L640 WeakPolarHBondContact O-CB 3.42Å; R636-L640 PolarHBondContact O-N 3.45Å; A637-L640 PolarHBondContact O-N 3.34Å; Q638-L640 VanDerWaalsContact C-N 3.31Å; Q638-L640 PolarHBondContact O-N 2.85Å; L640-Q642 VanDerWaalsContact C-N 3.3Å; L640-Q642 PolarHBondContact O-N 3.41Å; L640-I644 HydrophobicContact CG-CD1 4.36Å; L640-I644 HydrophobicContact CG-CG1 4.17Å; L640-I644 CarbonylContact O-C 3.57Å; L640-I644 PolarHBondContact O-N 3.25Å; L640-V647 HydrophobicContact CD1-CG2 4.27Å; L640-V647 HydrophobicContact CD2-CG2 3.62Å; L640-V647 HydrophobicContact CG-CG2 4.05Å; L640-I648 HydrophobicContact CD2-CD1 3.5Å; L640-I648 HydrophobicContact CD2-CG1 3.79Å
641L90.2Very high91.2Very high27 Ų2755.1 Ų55.114%0.14126%0.263CS..Hα-helixtrans-64.8-33.5173.6-72-177.9000113L630 A637 Q638 I648 L656 M914L630-L641 HydrophobicContact CD1-CD1 3.73Å; L630-L641 HydrophobicContact CD1-CG 4.46Å; L630-L641 HydrophobicContact CD2-CD1 3.57Å; L630-L641 HydrophobicContact CD2-CG 4.32Å; L630-L641 HydrophobicContact CG-CD1 4.32Å; A637-L641 PolarHBondContact O-N 3.25Å; Q638-L641 PolarHBondContact O-N 3.29Å; L641-I648 HydrophobicContact CD2-CD1 3.41Å; L641-I648 VanDerWaalsContact CD2-CD1 3.41Å; L641-L656 HydrophobicContact CD1-CD1 4.47Å; L641-L656 HydrophobicContact CD2-CD1 4.03Å; L641-M914 HydrophobicContact CD1-SD 4.21Å; L641-M914 HydrophobicContact CD2-CG 4.18Å; L641-M914 HydrophobicContact CD2-SD 3.81Å
642Q88.8Confident91.3Very high119 Ų11949.6 Ų49.656%0.55624%0.238SC*.Hα-helixtrans-73.9-44.6-178.6-176.7179.95.300112.6Q638 L639 L640Q638-Q642 WeakPolarHBondContact O-CB 3.23Å; Q638-Q642 PolarHBondContact O-N 3.41Å; L639-Q642 PolarHBondContact O-N 3.26Å; L640-Q642 VanDerWaalsContact C-N 3.3Å; L640-Q642 PolarHBondContact O-N 3.41Å
643Y91.1Very high91.4Very high58 Ų5844.1 Ų44.123%0.22721%0.214CC..Hα-helixtrans-101.7-37.5-169.5-72.1-73.6000114L580 F591 H595 L639L580-Y643 HydrophobicContact CD2-CD2 4.32Å; L580-Y643 HydrophobicContact CD2-CE2 4.26Å; F591-Y643 AromaticContact CE1-CD1 3.79Å; F591-Y643 HydrophobicContact CE1-CD1 3.79Å; F591-Y643 HydrophobicContact CE1-CD2 4.34Å; F591-Y643 AromaticContact CE1-CE1 3.82Å; F591-Y643 HydrophobicContact CE1-CE1 3.82Å; F591-Y643 HydrophobicContact CE1-CE2 4.37Å; F591-Y643 HydrophobicContact CE1-CG 4.07Å; F591-Y643 AromaticContact CZ-CD1 3.88Å; F591-Y643 HydrophobicContact CZ-CD1 3.88Å; F591-Y643 HydrophobicContact CZ-CD2 4.02Å; F591-Y643 HydrophobicContact CZ-CE1 4.33Å; F591-Y643 HydrophobicContact CZ-CE2 4.46Å; F591-Y643 AromaticContact CZ-CG 3.72Å; F591-Y643 HydrophobicContact CZ-CG 3.72Å; H595-Y643 AromaticContact CE1-CD1 3.76Å; H595-Y643 AromaticContact NE2-CD1 3.89Å; H595-Y643 PolarHBondContact NE2-O 3.33Å; L639-Y643 HydrophobicContact CB-CD2 4.42Å; L639-Y643 HydrophobicContact CD2-CD2 4.17Å; L639-Y643 HydrophobicContact CD2-CE2 3.72Å; L639-Y643 WeakPolarHBondContact O-CD2 3.16Å; L639-Y643 PolarHBondContact O-N 2.92Å
644I93.9Very high91.6Very high0 Ų042.3 Ų42.30%020%0.195CC..  trans-138.452.4-173.354.7165.2000112.6V571 Y572 I575 L598 L640 H646 V647V571-I644 HydrophobicContact CB-CG2 4.49Å; V571-I644 HydrophobicContact CG1-CD1 4.25Å; V571-I644 HydrophobicContact CG1-CG2 3.61Å; Y572-I644 HydrophobicContact CD2-CD1 4.35Å; I575-I644 HydrophobicContact CD1-CD1 3.91Å; I575-I644 HydrophobicContact CD1-CG1 3.86Å; L598-I644 HydrophobicContact CD2-CG2 3.8Å; L640-I644 HydrophobicContact CG-CD1 4.36Å; L640-I644 HydrophobicContact CG-CG1 4.17Å; L640-I644 CarbonylContact O-C 3.57Å; L640-I644 PolarHBondContact O-N 3.25Å; I644-H646 PolarHBondContact O-N 3.12Å; I644-H646 VanDerWaalsContact O-N 3.1Å; I644-V647 HydrophobicContact CB-CG1 4.21Å; I644-V647 HydrophobicContact CD1-CG1 4.01Å; I644-V647 HydrophobicContact CD1-CG2 4.35Å; I644-V647 HydrophobicContact CG1-CG1 4.41Å; I644-V647 HydrophobicContact CG1-CG2 4.44Å; I644-V647 WeakPolarHBondContact O-CG2 2.93Å; I644-V647 PolarHBondContact O-N 2.95Å
645P92.9Very high91.5Very high13 Ų1339.1 Ų39.18%0.08418%0.183CC..G310 helixtrans-62.1-24.1-176.726.1-34.6000113.4V647 I648 R653 M914P645-V647 PolarHBondContact O-N 3.38Å; P645-V647 VanDerWaalsContact O-N 3.09Å; P645-I648 WeakPolarHBondContact O-CB 3.29Å; P645-I648 PolarHBondContact O-N 3.33Å; P645-R653 VanDerWaalsContact O-CD 3.22Å; P645-R653 WeakPolarHBondContact O-CD 3.47Å; P645-R653 PolarHBondContact O-NE 2.87Å; P645-M914 HydrophobicContact CB-CB 4.27Å
646H92.9Very high91.5Very high4 Ų433.8 Ų33.82%0.01916%0.16CC..G310 helixtrans-59.8-19.317960.1-102.6000114.2Y602 I644 I648Y602-H646 AromaticContact CD1-ND1 3.95Å; Y602-H646 HydrophobicContact CD2-CB 4.03Å; Y602-H646 AromaticContact CD2-CG 3.93Å; Y602-H646 HydrophobicContact CE1-CB 3.95Å; Y602-H646 HydrophobicContact CE2-CB 3.37Å; Y602-H646 AromaticContact CE2-CG 3.81Å; Y602-H646 AromaticContact CG-ND1 3.99Å; Y602-H646 AromaticContact CZ-CG 3.98Å; Y602-H646 WeakPolarHBondContact OH-CB 3.43Å; I644-H646 PolarHBondContact O-N 3.12Å; I644-H646 VanDerWaalsContact O-N 3.1Å; H646-I648 PolarHBondContact O-N 3.42Å
647V94.2Very high91.6Very high1 Ų130.4 Ų30.41%0.00615%0.147CC..G310 helixtrans-68.2-16.7174.5-59.40000114N568 W616 R618 L621 L640 I644 P645N568-V647 WeakPolarHBondContact OD1-CG1 3.35Å; W616-V647 WeakPolarHBondContact O-CA 3.4Å; R618-V647 HydrophobicContact CB-CB 4.28Å; R618-V647 HydrophobicContact CG-CB 3.65Å; R618-V647 HydrophobicContact CG-CG1 3.8Å; R618-V647 HydrophobicContact CG-CG2 4.49Å; R618-V647 PolarHBondContact N-O 2.95Å; L621-V647 HydrophobicContact CD2-CG2 4.31Å; L640-V647 HydrophobicContact CD1-CG2 4.27Å; L640-V647 HydrophobicContact CD2-CG2 3.62Å; L640-V647 HydrophobicContact CG-CG2 4.05Å; I644-V647 HydrophobicContact CB-CG1 4.21Å; I644-V647 HydrophobicContact CD1-CG1 4.01Å; I644-V647 HydrophobicContact CD1-CG2 4.35Å; I644-V647 HydrophobicContact CG1-CG1 4.41Å; I644-V647 HydrophobicContact CG1-CG2 4.44Å; I644-V647 WeakPolarHBondContact O-CG2 2.93Å; I644-V647 PolarHBondContact O-N 2.95Å; P645-V647 PolarHBondContact O-N 3.38Å; P645-V647 VanDerWaalsContact O-N 3.09Å
648I92.6Very high91.6Very high2 Ų232.9 Ų32.91%0.0116%0.156CC..SBendtrans-96132.8178.9-55.1159.1000108.5L621 L626 L640 L641 P645 H646 H650 N652 R653L621-I648 HydrophobicContact CD2-CG1 3.99Å; L626-I648 HydrophobicContact CD2-CD1 3.44Å; L626-I648 VanDerWaalsContact CD2-CD1 3.44Å; L626-I648 HydrophobicContact CD2-CG1 3.76Å; L626-I648 HydrophobicContact CD2-CG2 4.3Å; L640-I648 HydrophobicContact CD2-CD1 3.5Å; L640-I648 HydrophobicContact CD2-CG1 3.79Å; L641-I648 HydrophobicContact CD2-CD1 3.41Å; L641-I648 VanDerWaalsContact CD2-CD1 3.41Å; P645-I648 WeakPolarHBondContact O-CB 3.29Å; P645-I648 PolarHBondContact O-N 3.33Å; H646-I648 PolarHBondContact O-N 3.42Å; I648-H650 PolarHBondContact O-N 3.18Å; I648-N652 HydrophobicContact CG2-CB 3.84Å; I648-R653 HydrophobicContact CB-CG 3.84Å; I648-R653 HydrophobicContact CD1-CG 4.37Å; I648-R653 HydrophobicContact CG2-CG 3.77Å; I648-R653 PolarHBondContact O-NE 3.07Å
649P91.6Very high91.5Very high47 Ų4731.8 Ų31.831%0.30515%0.154SC..  trans-50.7135.8174.5-27.734.1000112.3L617 K651 N652 R653L617-P649 HydrophobicContact CD1-CG 4.42Å; L617-P649 HydrophobicContact CD2-CG 4.4Å; P649-K651 VanDerWaalsContact C-N 3.28Å; P649-K651 PolarHBondContact O-N 2.81Å; P649-N652 WeakPolarHBondContact O-CB 3.15Å; P649-N652 PolarHBondContact O-N 2.88Å; P649-R653 PolarHBondContact O-N 2.83Å
650H89.8Confident91.5Very high28 Ų2833 Ų3313%0.1316%0.16CC..Hα-helixtrans-50.2-46.8-176.8-180-118.6000112.6I648 N652 R653 V654 E919I648-H650 PolarHBondContact O-N 3.18Å; H650-N652 VanDerWaalsContact C-N 3.26Å; H650-N652 PolarHBondContact O-N 2.99Å; H650-R653 PolarHBondContact O-N 3.39Å; H650-R653 VanDerWaalsContact O-N 3.08Å; H650-V654 WeakPolarHBondContact O-CG2 3.49Å; H650-V654 PolarHBondContact O-N 2.93Å; H650-E919 IonicContact CD2-OE1 2.87Å; H650-E919 PolarHBondContact CD2-OE1 3.27Å; H650-E919 IonicContact CG-OE1 2.8Å
651K88.7Confident91.4Very high123 Ų12333.1 Ų33.154%0.53516%0.161SC..Hα-helixtrans-52.3-41.4176.8-173.1174.5-176.7169.10113.1P649 V654 L655 L985P649-K651 VanDerWaalsContact C-N 3.28Å; P649-K651 PolarHBondContact O-N 2.81Å; K651-V654 PolarHBondContact O-N 3.16Å; K651-L655 WeakPolarHBondContact O-CG 3.38Å; K651-L655 PolarHBondContact O-N 3.4Å; K651-L985 HydrophobicContact CG-CD2 3.76Å
652N90.7Very high91.3Very high28 Ų2835 Ų3515%0.1517%0.173CC..Hα-helixtrans-74-34.1-178.2-63.5-11.7000111.9P623 F627 I648 P649 H650 L655 L656P623-N652 VanDerWaalsContact CB-ND2 3.27Å; P623-N652 WeakPolarHBondContact CB-ND2 3.41Å; P623-N652 WeakPolarHBondContact CG-ND2 3.41Å; F627-N652 HydrophobicContact CZ-CB 4.04Å; I648-N652 HydrophobicContact CG2-CB 3.84Å; P649-N652 WeakPolarHBondContact O-CB 3.15Å; P649-N652 PolarHBondContact O-N 2.88Å; H650-N652 VanDerWaalsContact C-N 3.26Å; H650-N652 PolarHBondContact O-N 2.99Å; N652-L655 PolarHBondContact O-N 3.27Å; N652-L656 WeakPolarHBondContact O-CG 3.45Å; N652-L656 PolarHBondContact O-N 3.26Å
653R92.7Very high91.3Very high5 Ų534.7 Ų34.72%0.01917%0.17CC..Hα-helixtrans-67.6-37.6172.8-69.4-173.3-81.5116.1-2.5112P645 I648 P649 H650 L656 F657 M914 F915 E919P645-R653 VanDerWaalsContact O-CD 3.22Å; P645-R653 WeakPolarHBondContact O-CD 3.47Å; P645-R653 PolarHBondContact O-NE 2.87Å; I648-R653 HydrophobicContact CB-CG 3.84Å; I648-R653 HydrophobicContact CD1-CG 4.37Å; I648-R653 HydrophobicContact CG2-CG 3.77Å; I648-R653 PolarHBondContact O-NE 3.07Å; P649-R653 PolarHBondContact O-N 2.83Å; H650-R653 PolarHBondContact O-N 3.39Å; H650-R653 VanDerWaalsContact O-N 3.08Å; R653-L656 WeakPolarHBondContact O-CB 3.31Å; R653-L656 PolarHBondContact O-N 3.46Å; R653-F657 WeakPolarHBondContact O-CB 3.47Å; R653-F657 PolarHBondContact O-N 2.77Å; R653-M914 VanDerWaalsContact CD-O 3.32Å; R653-M914 WeakPolarHBondContact CD-O 3.29Å; R653-M914 PolarHBondContact NH1-O 2.68Å; R653-F915 HydrophobicContact CB-CE1 3.8Å; R653-F915 HydrophobicContact CB-CZ 4.19Å; R653-E919 IonicContact CZ-OE1 2.61Å; R653-E919 IonicContact CZ-OE2 3.65Å; R653-E919 IonicContact NH1-OE1 2.66Å; R653-E919 IonicContact NH1-OE2 3.15Å; R653-E919 PolarHBondContact NH1-OE2 2.83Å; R653-E919 VanDerWaalsContact NH2-CD 3.35Å; R653-E919 IonicContact NH2-OE1 3.71Å; R653-E919 PolarHBondContact NH2-OE1 3.17Å; R653-E919 IonicContact NH2-OE2 2.68Å; R653-E919 PolarHBondContact NH2-OE2 3.31Å
654V91.4Very high91.3Very high2 Ų233.9 Ų33.91%0.01217%0.168CC..Hα-helixtrans-62.7-42.6172-179.50000110.8H650 K651 F657 R658 F915 L923 L984 L985H650-V654 WeakPolarHBondContact O-CG2 3.49Å; H650-V654 PolarHBondContact O-N 2.93Å; K651-V654 PolarHBondContact O-N 3.16Å; V654-F657 WeakPolarHBondContact O-CB 3.44Å; V654-F657 PolarHBondContact O-N 2.89Å; V654-R658 VanDerWaalsContact O-CG 3.32Å; V654-R658 WeakPolarHBondContact O-CG 3.48Å; V654-R658 PolarHBondContact O-N 3.17Å; V654-F915 HydrophobicContact CG2-CE1 3.84Å; V654-F915 HydrophobicContact CG2-CZ 4.35Å; V654-L923 HydrophobicContact CG1-CD1 4.4Å; V654-L984 HydrophobicContact CG1-CB 4.41Å; V654-L984 HydrophobicContact CG2-CD1 4.03Å; V654-L985 HydrophobicContact CB-CD2 4.07Å; V654-L985 HydrophobicContact CB-CG 4.47Å; V654-L985 HydrophobicContact CG1-CD1 3.95Å; V654-L985 HydrophobicContact CG1-CD2 3.94Å; V654-L985 HydrophobicContact CG1-CG 3.79Å
655L90.5Very high91Very high37 Ų3735.4 Ų35.419%0.19418%0.175CC..Hα-helixtrans-60.6-44.3173.6-73.6168.2000112.3K651 N652 F657 R658 N659 L985 Y989K651-L655 WeakPolarHBondContact O-CG 3.38Å; K651-L655 PolarHBondContact O-N 3.4Å; N652-L655 PolarHBondContact O-N 3.27Å; L655-F657 PolarHBondContact O-N 2.9Å; L655-R658 PolarHBondContact O-N 2.94Å; L655-N659 WeakPolarHBondContact O-CB 3.45Å; L655-N659 VanDerWaalsContact O-CG 3.23Å; L655-N659 PolarHBondContact O-N 2.84Å; L655-N659 PolarHBondContact O-OD1 3.07Å; L655-L985 HydrophobicContact CD2-CD1 3.62Å; L655-L985 HydrophobicContact CD2-CD2 4.06Å; L655-L985 HydrophobicContact CD2-CG 4.46Å; L655-L985 HydrophobicContact CG-CD1 4.17Å; L655-L985 HydrophobicContact CG-CD2 3.86Å; L655-Y989 HydrophobicContact CD2-CE1 4.38Å
656L91.1Very high90.7Very high15 Ų1540.3 Ų40.38%0.07920%0.197CC..Hα-helixtrans-57.5-48.8174.1-78.1174.2000111.8F627 L630 L641 N652 R653 R658 N659 I660 M914F627-L656 HydrophobicContact CD1-CD1 4.2Å; F627-L656 HydrophobicContact CD1-CD2 3.4Å; F627-L656 VanDerWaalsContact CD1-CD2 3.4Å; F627-L656 HydrophobicContact CD1-CG 3.88Å; F627-L656 HydrophobicContact CE1-CD1 3.63Å; F627-L656 HydrophobicContact CE1-CD2 3.35Å; F627-L656 HydrophobicContact CE1-CG 3.27Å; F627-L656 HydrophobicContact CG-CD2 4.29Å; F627-L656 HydrophobicContact CZ-CD2 4.17Å; F627-L656 HydrophobicContact CZ-CG 3.96Å; L630-L656 HydrophobicContact CD1-CD1 4.06Å; L630-L656 HydrophobicContact CD1-CD2 3.87Å; L641-L656 HydrophobicContact CD1-CD1 4.47Å; L641-L656 HydrophobicContact CD2-CD1 4.03Å; N652-L656 WeakPolarHBondContact O-CG 3.45Å; N652-L656 PolarHBondContact O-N 3.26Å; R653-L656 WeakPolarHBondContact O-CB 3.31Å; R653-L656 PolarHBondContact O-N 3.46Å; L656-R658 VanDerWaalsContact C-N 3.32Å; L656-R658 PolarHBondContact O-N 2.77Å; L656-N659 PolarHBondContact O-N 3.42Å; L656-I660 VanDerWaalsContact O-CG1 3.27Å; L656-I660 WeakPolarHBondContact O-CG1 3.29Å; L656-I660 PolarHBondContact O-N 3.28Å; L656-M914 HydrophobicContact CB-SD 4.39Å; L656-M914 HydrophobicContact CD1-SD 4.4Å
657F92.8Very high90.3Very high0 Ų044.6 Ų44.60%023%0.227CC..Hα-helixtrans-55.5-47.5176.6173.6-96.7000111.5R653 V654 L655 N659 I660 V661 V786 I907 W911 L912 M914 F915 L923R653-F657 WeakPolarHBondContact O-CB 3.47Å; R653-F657 PolarHBondContact O-N 2.77Å; V654-F657 WeakPolarHBondContact O-CB 3.44Å; V654-F657 PolarHBondContact O-N 2.89Å; L655-F657 PolarHBondContact O-N 2.9Å; F657-N659 PolarHBondContact O-N 3.18Å; F657-I660 PolarHBondContact O-N 3.46Å; F657-V661 HydrophobicContact CD1-CG2 4.46Å; F657-V661 HydrophobicContact CE1-CG2 4.01Å; F657-V661 HydrophobicContact CE2-CG2 4.21Å; F657-V661 HydrophobicContact CZ-CG2 3.85Å; F657-V661 WeakPolarHBondContact O-CG2 3.48Å; F657-V661 PolarHBondContact O-N 3.24Å; F657-V786 HydrophobicContact CE1-CG1 4.18Å; F657-V786 HydrophobicContact CZ-CG1 3.84Å; F657-I907 HydrophobicContact CZ-CD1 4.33Å; F657-W911 HydrophobicContact CD2-CB 3.91Å; F657-W911 HydrophobicContact CE2-CB 3.98Å; F657-W911 HydrophobicContact CE2-CE3 4.06Å; F657-L912 HydrophobicContact CE2-CD2 4.2Å; F657-M914 HydrophobicContact CB-CE 4.22Å; F657-F915 HydrophobicContact CB-CE2 3.99Å; F657-F915 HydrophobicContact CB-CZ 3.84Å; F657-F915 HydrophobicContact CD2-CE2 4.14Å; F657-F915 HydrophobicContact CG-CE2 4.18Å; F657-F915 HydrophobicContact CG-CZ 4.37Å; F657-L923 HydrophobicContact CD1-CD1 4.33Å; F657-L923 HydrophobicContact CD1-CD2 4.4Å; F657-L923 HydrophobicContact CE1-CD1 4.41Å; F657-L923 HydrophobicContact CE1-CD2 4.19Å; F657-L923 HydrophobicContact CZ-CD2 4.31Å
658R91.2Very high89.9Confident51 Ų5147.5 Ų47.519%0.19224%0.242CC..Hα-helixtrans-64-38.4177.7-65.3-64.1172.4-159.4-6.5112.6V654 L655 L656 V661 T662 V786 G789 L985V654-R658 VanDerWaalsContact O-CG 3.32Å; V654-R658 WeakPolarHBondContact O-CG 3.48Å; V654-R658 PolarHBondContact O-N 3.17Å; L655-R658 PolarHBondContact O-N 2.94Å; L656-R658 VanDerWaalsContact C-N 3.32Å; L656-R658 PolarHBondContact O-N 2.77Å; R658-V661 PolarHBondContact O-N 2.89Å; R658-T662 WeakPolarHBondContact O-CB 3.49Å; R658-T662 PolarHBondContact O-N 3.32Å; R658-T662 PolarHBondContact O-OG1 3.14Å; R658-V786 PolarHBondContact NH1-O 3.49Å; R658-G789 VanDerWaalsContact CZ-CA 3.5Å; R658-L985 HydrophobicContact CG-CD1 4.23Å
659N89.9Confident89.2Confident77 Ų7749.6 Ų49.641%0.41227%0.265SS..Hα-helixtrans-65.9-40.3175.9-70.2-10.9000112L655 L656 F657 T662 K663L655-N659 WeakPolarHBondContact O-CB 3.45Å; L655-N659 VanDerWaalsContact O-CG 3.23Å; L655-N659 PolarHBondContact O-N 2.84Å; L655-N659 PolarHBondContact O-OD1 3.07Å; L656-N659 PolarHBondContact O-N 3.42Å; F657-N659 PolarHBondContact O-N 3.18Å; N659-T662 PolarHBondContact O-N 3.28Å; N659-K663 WeakPolarHBondContact O-CG 3.25Å; N659-K663 PolarHBondContact O-N 3.29Å
660I90.8Very high88.5Confident55 Ų5548.6 Ų48.628%0.28226%0.257SS..Hα-helixtrans-63.3-46.8176.3-67.9163.5000110.5L656 F657 T662 K663 E664 W911 M914L656-I660 VanDerWaalsContact O-CG1 3.27Å; L656-I660 WeakPolarHBondContact O-CG1 3.29Å; L656-I660 PolarHBondContact O-N 3.28Å; F657-I660 PolarHBondContact O-N 3.46Å; I660-T662 VanDerWaalsContact C-N 3.35Å; I660-T662 PolarHBondContact O-N 3.03Å; I660-K663 PolarHBondContact O-N 2.91Å; I660-E664 PolarHBondContact O-N 3.33Å; I660-W911 HydrophobicContact CG2-CD2 3.77Å; I660-W911 HydrophobicContact CG2-CG 4.02Å; I660-W911 HydrophobicContact CG2-CH2 4.48Å; I660-W911 HydrophobicContact CG2-CZ2 3.75Å; I660-M914 HydrophobicContact CD1-CE 4.17Å
661V91Very high87.5Confident4 Ų450 Ų502%0.02427%0.267CS..Hα-helixtrans-60-44.2176.41690000111.4F657 R658 E664 K665 Y787 W911F657-V661 HydrophobicContact CD1-CG2 4.46Å; F657-V661 HydrophobicContact CE1-CG2 4.01Å; F657-V661 HydrophobicContact CE2-CG2 4.21Å; F657-V661 HydrophobicContact CZ-CG2 3.85Å; F657-V661 WeakPolarHBondContact O-CG2 3.48Å; F657-V661 PolarHBondContact O-N 3.24Å; R658-V661 PolarHBondContact O-N 2.89Å; V661-E664 PolarHBondContact O-N 3.14Å; V661-K665 HydrophobicContact CG1-CD 4.5Å; V661-K665 WeakPolarHBondContact O-CG 3.47Å; V661-K665 PolarHBondContact O-N 3.37Å; V661-Y787 HydrophobicContact CG1-CD2 3.78Å; V661-Y787 HydrophobicContact CG1-CE2 3.69Å; V661-Y787 HydrophobicContact CG1-CG 4.3Å; V661-Y787 WeakPolarHBondContact CG1-O 3.32Å; V661-Y787 HydrophobicContact CG2-CD2 4.29Å; V661-Y787 HydrophobicContact CG2-CE2 4.45Å; V661-W911 HydrophobicContact CG2-CE3 4.03Å; V661-W911 HydrophobicContact CG2-CZ3 3.76Å
662T89.1Confident86.3Confident65 Ų6551.5 Ų51.540%0.39928%0.276SS..Hα-helixtrans-61.6-45.3177.8-58.70000111.6R658 N659 I660 E664 K665 E666R658-T662 WeakPolarHBondContact O-CB 3.49Å; R658-T662 PolarHBondContact O-N 3.32Å; R658-T662 PolarHBondContact O-OG1 3.14Å; N659-T662 PolarHBondContact O-N 3.28Å; I660-T662 VanDerWaalsContact C-N 3.35Å; I660-T662 PolarHBondContact O-N 3.03Å; T662-E664 VanDerWaalsContact C-N 3.28Å; T662-E664 PolarHBondContact O-N 2.99Å; T662-K665 WeakPolarHBondContact O-CB 3.32Å; T662-K665 PolarHBondContact O-N 3.35Å; T662-K665 VanDerWaalsContact O-N 3.11Å; T662-E666 WeakPolarHBondContact O-CG 3.44Å; T662-E666 PolarHBondContact O-N 3.19Å
663K88.9Confident84.9Confident114 Ų11454.1 Ų54.150%0.49629%0.293SS..Hα-helixtrans-60.8-35.1175.2-74.4179.9179.6-178.60112.7N659 I660 S667N659-K663 WeakPolarHBondContact O-CG 3.25Å; N659-K663 PolarHBondContact O-N 3.29Å; I660-K663 PolarHBondContact O-N 2.91Å; K663-S667 PolarHBondContact O-N 3.41Å
664E90Very high83.1Confident40 Ų4060.6 Ų60.619%0.18734%0.339CS..Hα-helixtrans-68.5-42.1173.2-164.4-163.4-128.100111.7I660 V661 T662 E666 S667 L668 K707 Y787 W911I660-E664 PolarHBondContact O-N 3.33Å; V661-E664 PolarHBondContact O-N 3.14Å; T662-E664 VanDerWaalsContact C-N 3.28Å; T662-E664 PolarHBondContact O-N 2.99Å; E664-E666 VanDerWaalsContact C-N 3.27Å; E664-E666 PolarHBondContact O-N 3.48Å; E664-S667 PolarHBondContact O-N 3.24Å; E664-S667 PolarHBondContact O-OG 3Å; E664-L668 HydrophobicContact CG-CD1 4Å; E664-L668 HydrophobicContact CG-CG 4.38Å; E664-L668 WeakPolarHBondContact O-CB 3.42Å; E664-L668 VanDerWaalsContact O-CG 3.32Å; E664-L668 WeakPolarHBondContact O-CG 3.29Å; E664-L668 PolarHBondContact O-N 3.46Å; E664-K707 IonicContact OE1-NZ 3.72Å; E664-K707 PolarHBondContact OE1-NZ 3.28Å; E664-K707 IonicContact OE2-NZ 3.62Å; E664-K707 PolarHBondContact OE2-NZ 2.95Å; E664-Y787 WeakPolarHBondContact OE2-CE2 3.42Å; E664-Y787 VanDerWaalsContact OE2-CZ 3.31Å; E664-Y787 PolarHBondContact OE2-OH 3.24Å; E664-W911 HydrophobicContact CB-CH2 4.17Å; E664-W911 HydrophobicContact CB-CZ2 4.48Å; E664-W911 VanDerWaalsContact CD-CH2 3.48Å; E664-W911 HydrophobicContact CG-CH2 4.31Å; E664-W911 WeakPolarHBondContact OE1-CH2 3.49Å
665K87.8Confident81.1Confident32 Ų3266.1 Ų66.114%0.13938%0.378CS..Hα-helixtrans-60.2-39.9175.2-70.8-176.8178.6-176.90111.6V661 T662 G669 L670 V671 Y787 E788V661-K665 HydrophobicContact CG1-CD 4.5Å; V661-K665 WeakPolarHBondContact O-CG 3.47Å; V661-K665 PolarHBondContact O-N 3.37Å; T662-K665 WeakPolarHBondContact O-CB 3.32Å; T662-K665 PolarHBondContact O-N 3.35Å; T662-K665 VanDerWaalsContact O-N 3.11Å; K665-G669 PolarHBondContact O-N 3.48Å; K665-L670 HydrophobicContact CB-CB 4.33Å; K665-L670 PolarHBondContact O-N 3.24Å; K665-V671 HydrophobicContact CB-CG2 3.74Å; K665-Y787 HydrophobicContact CD-CE1 4.17Å; K665-Y787 HydrophobicContact CG-CE1 3.9Å; K665-Y787 VanDerWaalsContact CG-OH 3.31Å; K665-Y787 WeakPolarHBondContact CG-OH 3.37Å; K665-E788 VanDerWaalsContact NZ-CD 3.33Å; K665-E788 IonicContact NZ-OE1 2.65Å; K665-E788 PolarHBondContact NZ-OE1 3.31Å; K665-E788 IonicContact NZ-OE2 3.62Å; K665-E788 PolarHBondContact NZ-OE2 3.4Å
666E86Confident79.5Confident116 Ų11667.2 Ų67.254%0.54239%0.393SS..Hα-helixtrans-63.9-47.1175.2-70.7168.9-178.600111.7T662 E664 L668 G669 V671T662-E666 WeakPolarHBondContact O-CG 3.44Å; T662-E666 PolarHBondContact O-N 3.19Å; E664-E666 VanDerWaalsContact C-N 3.27Å; E664-E666 PolarHBondContact O-N 3.48Å; E666-L668 VanDerWaalsContact C-N 3.28Å; E666-L668 PolarHBondContact O-N 3.24Å; E666-G669 PolarHBondContact O-N 2.9Å; E666-V671 HydrophobicContact CG-CB 4.46Å; E666-V671 HydrophobicContact CG-CG2 3.93Å
667S86.1Confident77.9Confident95 Ų9571.6 Ų71.666%0.66442%0.424SS*.Hα-helixtrans-66.3-29.7-179.8730000113.3K663 E664 G669K663-S667 PolarHBondContact O-N 3.41Å; E664-S667 PolarHBondContact O-N 3.24Å; E664-S667 PolarHBondContact O-OG 3Å; S667-G669 VanDerWaalsContact C-N 3.31Å
668L84.3Confident76.5Confident61 Ų6172.9 Ų72.932%0.31943%0.433SS..THydrogen-bonded Turntrans-83.4-1.7174.6-66.6175.6000113.6E664 E666 L670 K707E664-L668 HydrophobicContact CG-CD1 4Å; E664-L668 HydrophobicContact CG-CG 4.38Å; E664-L668 WeakPolarHBondContact O-CB 3.42Å; E664-L668 VanDerWaalsContact O-CG 3.32Å; E664-L668 WeakPolarHBondContact O-CG 3.29Å; E664-L668 PolarHBondContact O-N 3.46Å; E666-L668 VanDerWaalsContact C-N 3.28Å; E666-L668 PolarHBondContact O-N 3.24Å; L668-L670 VanDerWaalsContact C-N 3.27Å; L668-L670 HydrophobicContact CB-CD1 3.86Å; L668-L670 HydrophobicContact CB-CG 3.74Å; L668-L670 HydrophobicContact CD1-CD1 3.99Å; L668-L670 PolarHBondContact O-N 3.42Å; L668-K707 HydrophobicContact CD1-CD 3.97Å
669G77.8Confident75.3Confident47 Ų4777.2 Ų77.249%0.48546%0.455SS..THydrogen-bonded Turntrans66.626.3-178.200000113.9K665 E666 S667K665-G669 PolarHBondContact O-N 3.48Å; E666-G669 PolarHBondContact O-N 2.9Å; S667-G669 VanDerWaalsContact C-N 3.31Å
670L76.9Confident74.7Confident25 Ų2575.5 Ų75.513%0.13145%0.447CS..  trans-90.2-5.9-178.6-58.2177.8000112.9K665 L668 K707K665-L670 HydrophobicContact CB-CB 4.33Å; K665-L670 PolarHBondContact O-N 3.24Å; L668-L670 VanDerWaalsContact C-N 3.27Å; L668-L670 HydrophobicContact CB-CD1 3.86Å; L668-L670 HydrophobicContact CB-CG 3.74Å; L668-L670 HydrophobicContact CD1-CD1 3.99Å; L668-L670 PolarHBondContact O-N 3.42Å; L670-K707 HydrophobicContact CD1-CB 3.9Å
671V69.3Low74.3Confident57 Ų5773.7 Ų73.735%0.34544%0.438SS..SBendtrans-96.4139.2174.6-175.40000108.8K665 E666 T673K665-V671 HydrophobicContact CB-CG2 3.74Å; E666-V671 HydrophobicContact CG-CB 4.46Å; E666-V671 HydrophobicContact CG-CG2 3.93Å; V671-T673 PolarHBondContact O-N 3.05Å; V671-T673 VanDerWaalsContact O-N 3.16Å
672E64.4Low74Confident155 Ų15579 Ų7972%0.72446%0.463SS*.  trans-63.4114.5176.2-158.9167.8-150.200109.5
673T60.3Low73.8Confident83 Ų8376.2 Ų76.251%0.50945%0.445SS..BIsolated β-bridgetrans-110.9157174.459.90000108.8V671 S675 A676V671-T673 PolarHBondContact O-N 3.05Å; V671-T673 VanDerWaalsContact O-N 3.16Å; T673-S675 PolarHBondContact O-N 2.88Å; T673-A676 PolarHBondContact N-O 3.22Å; T673-A676 PolarHBondContact O-N 2.87Å
674S54.4Low73.7Confident142 Ų14273.8 Ų73.899%0.99344%0.44SS*.THydrogen-bonded Turntrans-55.6-12179.1-43.50000114.5
675S51.1Low73.6Confident118 Ų11871.9 Ų71.983%0.82543%0.431SS*.THydrogen-bonded Turntrans-116.8-11.8-171.2-41.30000114.5T673T673-S675 PolarHBondContact O-N 2.88Å
676A55.6Low73.5Confident60 Ų6074 Ų7450%0.49644%0.439SS..BIsolated β-bridgetrans-156.8131.1-178.300000112.5T673T673-A676 PolarHBondContact N-O 3.22Å; T673-A676 PolarHBondContact O-N 2.87Å
677S57.8Low73.2Confident106 Ų10673.2 Ų73.274%0.74143%0.431SS*.  trans-76.6138.7171.3-52.10000110.5
678P63.4Low73Confident28 Ų2871.7 Ų71.718%0.18242%0.42CS..  trans-64.6144.5-178.725.3-32.2000111.2V680P678-V680 PolarHBondContact O-N 2.92Å
679H67.2Low73Confident141 Ų14175.2 Ų75.265%0.65343%0.429SS*.  trans-69.4115.9176.4-159.269.3000109.9
680V76.8Confident73.3Confident41 Ų4173.5 Ų73.525%0.24841%0.408CS..EExtended strand (participates in β ladder)trans-99.5126.7-178-177.40000110P678 V709 R711P678-V680 PolarHBondContact O-N 2.92Å; V680-V709 HydrophobicContact CG1-CG1 4.44Å; V680-V709 HydrophobicContact CG2-CB 4.46Å; V680-R711 HydrophobicContact CG1-CB 4.08Å; V680-R711 HydrophobicContact CG1-CG 3.6Å
681T83Confident73.7Confident17 Ų1772.9 Ų72.910%0.10441%0.405CS..EExtended strand (participates in β ladder)trans-93.8122.9175-55.80000109.9I683 L701 S705 V709 I710 R711T681-I683 HydrophobicContact CG2-CG2 4.44Å; T681-L701 HydrophobicContact CG2-CD1 3.73Å; T681-L701 HydrophobicContact CG2-CD2 4.06Å; T681-S705 PolarHBondContact OG1-O 3.13Å; T681-V709 PolarHBondContact N-O 3.36Å; T681-I710 CarbonylContact O-C 3.47Å; T681-I710 WeakPolarHBondContact O-CA 3.31Å; T681-R711 PolarHBondContact O-N 2.93Å
682H83.7Confident74.6Confident117 Ų11774.4 Ų74.454%0.54241%0.409SS..EExtended strand (participates in β ladder)trans-98.1130.5176.4-70.3-94000110.8R711H682-R711 WeakPolarHBondContact CA-O 3.4Å
683I86.1Confident75.7Confident5 Ų567.8 Ų67.83%0.02638%0.378CS..EExtended strand (participates in β ladder)trans-124.5146.117367.8175000110.6T681 I685 Q697 L698 I710 R711 V712 K713 F734T681-I683 HydrophobicContact CG2-CG2 4.44Å; I683-I685 HydrophobicContact CD1-CD1 4.1Å; I683-I685 HydrophobicContact CD1-CG1 4.11Å; I683-I685 HydrophobicContact CG1-CD1 4.42Å; I683-I685 HydrophobicContact CG1-CG1 4.18Å; I683-Q697 HydrophobicContact CG2-CB 4.33Å; I683-L698 HydrophobicContact CD1-CD1 4.02Å; I683-L698 HydrophobicContact CD1-CD2 4.01Å; I683-L698 HydrophobicContact CD1-CG 4.12Å; I683-L698 HydrophobicContact CG2-CD2 3.81Å; I683-L698 HydrophobicContact CG2-CG 4.5Å; I683-I710 HydrophobicContact CD1-CG2 3.99Å; I683-I710 HydrophobicContact CG1-CG2 4.14Å; I683-I710 HydrophobicContact CG2-CG2 4.43Å; I683-R711 PolarHBondContact N-O 3.16Å; I683-V712 HydrophobicContact CD1-CG1 4.41Å; I683-V712 HydrophobicContact CD1-CG2 3.72Å; I683-V712 HydrophobicContact CG1-CB 4.16Å; I683-V712 HydrophobicContact CG1-CG1 4.14Å; I683-V712 HydrophobicContact CG1-CG2 3.75Å; I683-K713 PolarHBondContact O-N 2.88Å; I683-F734 HydrophobicContact CD1-CD1 4.32Å; I683-F734 HydrophobicContact CD1-CE1 3.88Å; I683-F734 HydrophobicContact CD1-CE2 4.44Å; I683-F734 HydrophobicContact CD1-CZ 3.89Å
684T86.3Confident77Confident63 Ų6363.9 Ų63.939%0.38735%0.354SS..EExtended strand (participates in β ladder)trans-114.8122.6-179-55.60000110Q697 K713 V715T684-Q697 PolarHBondContact O-NE2 3.27Å; T684-K713 CarbonylContact C-O 3.59Å; T684-K713 WeakPolarHBondContact CA-O 3.24Å; T684-V715 HydrophobicContact CG2-CB 4.31Å; T684-V715 HydrophobicContact CG2-CG1 3.61Å; T684-V715 HydrophobicContact CG2-CG2 3.66Å
685I87.3Confident78.6Confident0 Ų058.2 Ų58.20%031%0.311CS..EExtended strand (participates in β ladder)trans-127.8132.4-168.4-58.5-62.3000110.8I683 M690 D693 V712 K713 F714 V715 F734I683-I685 HydrophobicContact CD1-CD1 4.1Å; I683-I685 HydrophobicContact CD1-CG1 4.11Å; I683-I685 HydrophobicContact CG1-CD1 4.42Å; I683-I685 HydrophobicContact CG1-CG1 4.18Å; I685-M690 HydrophobicContact CG2-CB 3.91Å; I685-M690 HydrophobicContact CG2-CG 3.86Å; I685-D693 HydrophobicContact CD1-CB 3.86Å; I685-V712 HydrophobicContact CB-CG1 4.13Å; I685-V712 HydrophobicContact CG1-CG1 3.67Å; I685-K713 PolarHBondContact N-O 3.37Å; I685-F714 HydrophobicContact CB-CD1 4.24Å; I685-F714 HydrophobicContact CB-CE1 4.21Å; I685-F714 HydrophobicContact CG2-CD1 4.2Å; I685-F714 HydrophobicContact CG2-CE1 3.87Å; I685-F714 VanDerWaalsContact O-CA 3.32Å; I685-F714 WeakPolarHBondContact O-CA 3.38Å; I685-V715 PolarHBondContact O-N 2.89Å; I685-F734 HydrophobicContact CB-CD2 4.43Å; I685-F734 HydrophobicContact CB-CE2 4.4Å; I685-F734 HydrophobicContact CD1-CD2 4.32Å; I685-F734 HydrophobicContact CD1-CE2 3.54Å; I685-F734 HydrophobicContact CD1-CZ 4.05Å; I685-F734 HydrophobicContact CG1-CD2 3.86Å; I685-F734 HydrophobicContact CG1-CE2 3.59Å; I685-F734 HydrophobicContact CG1-CZ 4.37Å; I685-F734 HydrophobicContact CG2-CD2 4.02Å; I685-F734 HydrophobicContact CG2-CE2 3.97Å
686R85.3Confident80.3Confident78 Ų7856.1 Ų56.129%0.29429%0.291SS..EExtended strand (participates in β ladder)trans-90.9130.7166.8-66.8167.3-69-169.1-1.6110.3S688 R689 M690 D693 V715R686-S688 VanDerWaalsContact C-N 3.25Å; R686-S688 PolarHBondContact O-N 3.42Å; R686-R689 CarbonylContact O-C 3.53Å; R686-R689 VanDerWaalsContact O-C 3.28Å; R686-R689 PolarHBondContact O-N 2.89Å; R686-M690 WeakPolarHBondContact O-CA 3.28Å; R686-M690 PolarHBondContact O-N 3.01Å; R686-D693 WeakPolarHBondContact CB-OD2 2.96Å; R686-D693 IonicContact CZ-OD1 3.74Å; R686-D693 IonicContact CZ-OD2 2.69Å; R686-D693 PolarHBondContact N-OD2 2.87Å; R686-D693 IonicContact NE-OD1 2.74Å; R686-D693 IonicContact NE-OD2 2.67Å; R686-D693 PolarHBondContact NE-OD2 3.15Å; R686-D693 IonicContact NH2-OD1 3.54Å; R686-D693 PolarHBondContact NH2-OD1 3.04Å; R686-D693 IonicContact NH2-OD2 3.46Å; R686-V715 WeakPolarHBondContact CA-O 3.24Å; R686-V715 HydrophobicContact CG-CG2 3.68Å
687R79.8Confident81.9Confident99 Ų9956.4 Ų56.437%0.37428%0.282SS..G310 helixtrans-56.3-39.2178.6-78-168.6164.81310.9112.8R689 F714 E722 E733R687-R689 VanDerWaalsContact C-N 3.27Å; R687-R689 PolarHBondContact O-N 3.2Å; R687-F714 HydrophobicContact CG-CD1 3.78Å; R687-F714 HydrophobicContact CG-CE1 4.11Å; R687-E722 IonicContact CZ-OE1 3.27Å; R687-E722 IonicContact CZ-OE2 2.95Å; R687-E722 VanDerWaalsContact CZ-OE2 3.24Å; R687-E722 IonicContact NE-OE2 3.46Å; R687-E722 VanDerWaalsContact NH1-CD 3.32Å; R687-E722 IonicContact NH1-OE1 2.73Å; R687-E722 PolarHBondContact NH1-OE1 3.11Å; R687-E722 IonicContact NH1-OE2 2.66Å; R687-E722 PolarHBondContact NH1-OE2 2.82Å; R687-E722 IonicContact NH2-OE2 3.59Å; R687-E733 IonicContact NH2-OE1 2.66Å; R687-E733 PolarHBondContact NH2-OE1 3.47Å; R687-E733 VanDerWaalsContact NH2-OE1 3.15Å
688S82.3Confident83.2Confident62 Ų6251.3 Ų51.343%0.43425%0.246SC..G310 helixtrans-63.2-28.9177.661.10000113.7R686 D717R686-S688 VanDerWaalsContact C-N 3.25Å; R686-S688 PolarHBondContact O-N 3.42Å; S688-D717 WeakPolarHBondContact CB-OD1 3.44Å; S688-D717 PolarHBondContact OG-OD1 3.25Å
689R84.7Confident84.1Confident135 Ų13555.2 Ų55.251%0.50926%0.257SS..G310 helixtrans-130.237.9-173.4-63.2-172-177.8-168.70.7112.9R686 R687 L691 E692 D693R686-R689 CarbonylContact O-C 3.53Å; R686-R689 VanDerWaalsContact O-C 3.28Å; R686-R689 PolarHBondContact O-N 2.89Å; R687-R689 VanDerWaalsContact C-N 3.27Å; R687-R689 PolarHBondContact O-N 3.2Å; R689-L691 VanDerWaalsContact C-N 3.35Å; R689-L691 PolarHBondContact O-N 3.29Å; R689-E692 VanDerWaalsContact CA-OE2 3.25Å; R689-E692 WeakPolarHBondContact CA-OE2 3.41Å; R689-E692 HydrophobicContact CB-CB 4.46Å; R689-E692 PolarHBondContact O-N 3.31Å; R689-D693 WeakPolarHBondContact O-CB 3.35Å; R689-D693 PolarHBondContact O-N 3.31Å
690M84.2Confident84.7Confident11 Ų1158 Ų585%0.05426%0.262CS..Hα-helixtrans-65.6-35.6-170.8169.5-179.664.700113.7I685 R686 G694 F734 E737 I738I685-M690 HydrophobicContact CG2-CB 3.91Å; I685-M690 HydrophobicContact CG2-CG 3.86Å; R686-M690 WeakPolarHBondContact O-CA 3.28Å; R686-M690 PolarHBondContact O-N 3.01Å; M690-G694 WeakPolarHBondContact O-CA 3.42Å; M690-G694 PolarHBondContact O-N 2.91Å; M690-F734 HydrophobicContact CG-CD2 3.82Å; M690-F734 HydrophobicContact CG-CE2 3.86Å; M690-F734 HydrophobicContact SD-CD2 4.1Å; M690-E737 HydrophobicContact CE-CB 3.23Å; M690-E737 HydrophobicContact CE-CG 4.4Å; M690-E737 HydrophobicContact SD-CB 3.62Å; M690-E737 VanDerWaalsContact SD-OE2 3.33Å; M690-I738 HydrophobicContact CE-CG1 4.18Å; M690-I738 HydrophobicContact CG-CD1 4.19Å; M690-I738 HydrophobicContact CG-CG1 3.72Å; M690-I738 HydrophobicContact SD-CG1 4.04Å
691L85.6Confident85.1Confident13 Ų1358 Ų587%0.06826%0.26CS..Hα-helixtrans-68.7-44.1178.917859.4000110.3R689 Y695 I738 K741 V742 L747 F777R689-L691 VanDerWaalsContact C-N 3.35Å; R689-L691 PolarHBondContact O-N 3.29Å; L691-Y695 WeakPolarHBondContact O-CB 3.05Å; L691-Y695 PolarHBondContact O-N 2.9Å; L691-I738 HydrophobicContact CD1-CG2 4.4Å; L691-K741 HydrophobicContact CB-CD 4.18Å; L691-V742 HydrophobicContact CD1-CG2 3.45Å; L691-V742 VanDerWaalsContact CD1-CG2 3.45Å; L691-V742 HydrophobicContact CD2-CG2 4.14Å; L691-V742 HydrophobicContact CG-CG2 4.44Å; L691-L747 HydrophobicContact CD2-CD2 4.14Å; L691-F777 HydrophobicContact CD1-CE1 4.16Å
692E87.4Confident85.1Confident89 Ų8961 Ų6142%0.41628%0.28SS..Hα-helixtrans-67.4-52.8-178.6-59.281.6175.800111.1R689 G694 Y695 D696 K741R689-E692 VanDerWaalsContact CA-OE2 3.25Å; R689-E692 WeakPolarHBondContact CA-OE2 3.41Å; R689-E692 HydrophobicContact CB-CB 4.46Å; R689-E692 PolarHBondContact O-N 3.31Å; E692-G694 VanDerWaalsContact C-N 3.33Å; E692-G694 PolarHBondContact O-N 3.34Å; E692-Y695 PolarHBondContact O-N 3.36Å; E692-D696 PolarHBondContact O-N 2.86Å; E692-K741 IonicContact OE2-NZ 3.82Å
693D87.9Confident84.9Confident16 Ų1658.3 Ų58.39%0.08627%0.272CS..Hα-helixtrans-63.8-40.4179.8-71.2-12.7000111.3I685 R686 R689 Q697I685-D693 HydrophobicContact CD1-CB 3.86Å; R686-D693 WeakPolarHBondContact CB-OD2 2.96Å; R686-D693 IonicContact CZ-OD1 3.74Å; R686-D693 IonicContact CZ-OD2 2.69Å; R686-D693 PolarHBondContact N-OD2 2.87Å; R686-D693 IonicContact NE-OD1 2.74Å; R686-D693 IonicContact NE-OD2 2.67Å; R686-D693 PolarHBondContact NE-OD2 3.15Å; R686-D693 IonicContact NH2-OD1 3.54Å; R686-D693 PolarHBondContact NH2-OD1 3.04Å; R686-D693 IonicContact NH2-OD2 3.46Å; R689-D693 WeakPolarHBondContact O-CB 3.35Å; R689-D693 PolarHBondContact O-N 3.31Å; D693-Q697 WeakPolarHBondContact O-CB 3.32Å; D693-Q697 PolarHBondContact O-N 3.4Å; D693-Q697 PolarHBondContact O-NE2 3.42Å
694G86.9Confident84.6Confident0 Ų062.7 Ų62.70%030%0.295CS..Hα-helixtrans-64.7-45.7176.400000112.3M690 E692 L698M690-G694 WeakPolarHBondContact O-CA 3.42Å; M690-G694 PolarHBondContact O-N 2.91Å; E692-G694 VanDerWaalsContact C-N 3.33Å; E692-G694 PolarHBondContact O-N 3.34Å; G694-L698 WeakPolarHBondContact O-CB 3.45Å; G694-L698 WeakPolarHBondContact O-CG 3.36Å; G694-L698 PolarHBondContact O-N 3.37Å
695Y88Confident84.5Confident23 Ų2361 Ų619%0.0929%0.286CS..Hα-helixtrans-60.6-49.9176.6174.4-95.7000111.8L691 E692 Q697 R699 Q773 L774 F777L691-Y695 WeakPolarHBondContact O-CB 3.05Å; L691-Y695 PolarHBondContact O-N 2.9Å; E692-Y695 PolarHBondContact O-N 3.36Å; Y695-Q697 PolarHBondContact O-N 3.24Å; Y695-R699 WeakPolarHBondContact O-CB 3.29Å; Y695-R699 PolarHBondContact O-N 3.12Å; Y695-R699 PolarHBondContact OH-NH1 3.43Å; Y695-Q773 HydrophobicContact CE2-CB 4.21Å; Y695-Q773 WeakPolarHBondContact OH-CB 3.28Å; Y695-L774 HydrophobicContact CD2-CD2 3.86Å; Y695-L774 HydrophobicContact CE2-CD2 4.01Å; Y695-L774 HydrophobicContact CG-CD2 4.4Å; Y695-F777 HydrophobicContact CD2-CB 3.72Å; Y695-F777 AromaticContact CD2-CD1 3.92Å; Y695-F777 HydrophobicContact CD2-CD1 3.92Å; Y695-F777 HydrophobicContact CD2-CD2 4.42Å; Y695-F777 AromaticContact CD2-CG 3.75Å; Y695-F777 HydrophobicContact CD2-CG 3.75Å; Y695-F777 HydrophobicContact CE2-CB 4.03Å
696D87.4Confident84.5Confident75 Ų7561 Ų6140%0.40129%0.286SS..Hα-helixtrans-64.3-38.4-175.6-83.7-19.9000113.2E692E692-D696 PolarHBondContact O-N 2.86Å
697Q88.1Confident84.6Confident65 Ų6558 Ų5830%0.30428%0.275SS..Hα-helixtrans-81.7-46.4-178.6-72.2174.359.900112.2I683 T684 D693 Y695I683-Q697 HydrophobicContact CG2-CB 4.33Å; T684-Q697 PolarHBondContact O-NE2 3.27Å; D693-Q697 WeakPolarHBondContact O-CB 3.32Å; D693-Q697 PolarHBondContact O-N 3.4Å; D693-Q697 PolarHBondContact O-NE2 3.42Å; Y695-Q697 PolarHBondContact O-N 3.24Å
698L86.2Confident84.8Confident0 Ų053.5 Ų53.50%026%0.259CS..Hα-helixtrans-82.4-26.5-172.5-65.2174.9000113.6I683 G694 R700 L701 I710 F734 F777 M781I683-L698 HydrophobicContact CD1-CD1 4.02Å; I683-L698 HydrophobicContact CD1-CD2 4.01Å; I683-L698 HydrophobicContact CD1-CG 4.12Å; I683-L698 HydrophobicContact CG2-CD2 3.81Å; I683-L698 HydrophobicContact CG2-CG 4.5Å; G694-L698 WeakPolarHBondContact O-CB 3.45Å; G694-L698 WeakPolarHBondContact O-CG 3.36Å; G694-L698 PolarHBondContact O-N 3.37Å; L698-R700 VanDerWaalsContact C-N 3.27Å; L698-R700 PolarHBondContact O-N 3.37Å; L698-L701 HydrophobicContact CD2-CD1 3.55Å; L698-L701 PolarHBondContact O-N 2.97Å; L698-I710 HydrophobicContact CD2-CD1 4.11Å; L698-I710 HydrophobicContact CD2-CG2 4.47Å; L698-F734 HydrophobicContact CD1-CE1 3.49Å; L698-F734 VanDerWaalsContact CD1-CE1 3.49Å; L698-F734 HydrophobicContact CD1-CZ 3.74Å; L698-F777 HydrophobicContact CB-CE2 3.81Å; L698-F777 HydrophobicContact CD1-CE2 4.16Å; L698-F777 HydrophobicContact CD1-CZ 4.35Å; L698-M781 HydrophobicContact CB-CE 4.35Å; L698-M781 HydrophobicContact CD1-CE 3.97Å; L698-M781 HydrophobicContact CD1-SD 3.79Å
699R82Confident84.8Confident110 Ų11053.7 Ų53.742%0.41526%0.258SS..Hα-helixtrans-61.9-37.8178.2178.9178.9175.6-158.6-6.3112Y695 L701Y695-R699 WeakPolarHBondContact O-CB 3.29Å; Y695-R699 PolarHBondContact O-N 3.12Å; Y695-R699 PolarHBondContact OH-NH1 3.43Å; R699-L701 VanDerWaalsContact C-N 3.32Å
700R80.1Confident84.8Confident199 Ų19947.7 Ų47.775%0.75124%0.236SC*.THydrogen-bonded Turntrans-80.3-11.5-174.7-63.2178.2-175.6148.86.9113.6L698L698-R700 VanDerWaalsContact C-N 3.27Å; L698-R700 PolarHBondContact O-N 3.37Å
701L84.6Confident84.7Confident41 Ų4151.1 Ų51.122%0.21525%0.248CC..SBendtrans-71141.5-178.2-66177.5000111.7T681 L698 R699T681-L701 HydrophobicContact CG2-CD1 3.73Å; T681-L701 HydrophobicContact CG2-CD2 4.06Å; L698-L701 HydrophobicContact CD2-CD1 3.55Å; L698-L701 PolarHBondContact O-N 2.97Å; R699-L701 VanDerWaalsContact C-N 3.32Å
702P82.9Confident84.5Confident81 Ų8151 Ų5153%0.52625%0.248SC..  trans-66.5154.5169.629.9-33.4000110.4N704 S705 I706P702-N704 PolarHBondContact O-N 2.97Å; P702-N704 VanDerWaalsContact O-N 3.16Å; P702-S705 WeakPolarHBondContact CG-OG 3.26Å; P702-S705 PolarHBondContact O-N 3.36Å; P702-S705 VanDerWaalsContact O-N 3.07Å; P702-I706 PolarHBondContact O-N 2.9Å
703V79.2Confident84.3Confident60 Ų6050.8 Ų50.836%0.36425%0.245SC..Hα-helixtrans-55.6-36.8-174.7176.70000112.6I706 K707 S905V703-I706 WeakPolarHBondContact O-CG2 3.1Å; V703-K707 HydrophobicContact CG1-CD 4.16Å; V703-K707 HydrophobicContact CG1-CG 4.41Å; V703-K707 WeakPolarHBondContact O-CB 3.42Å; V703-K707 WeakPolarHBondContact O-CG 3.09Å; V703-K707 PolarHBondContact O-N 2.88Å; V703-S905 WeakPolarHBondContact CG1-O 3.42Å
704N81.4Confident84Confident97 Ų9750.4 Ų50.452%0.51924%0.243SC..Hα-helixtrans-67.7-40.1179.9-64.5-0.1000112.1P702 K707 G708P702-N704 PolarHBondContact O-N 2.97Å; P702-N704 VanDerWaalsContact O-N 3.16Å; N704-K707 PolarHBondContact O-N 3.06Å; N704-G708 PolarHBondContact O-N 3.41Å
705S83.9Confident83.7Confident26 Ų2651 Ų5118%0.18225%0.246CC..Hα-helixtrans-68.3-38.3179.5-61.20000112.1T681 P702 G708T681-S705 PolarHBondContact OG1-O 3.13Å; P702-S705 WeakPolarHBondContact CG-OG 3.26Å; P702-S705 PolarHBondContact O-N 3.36Å; P702-S705 VanDerWaalsContact O-N 3.07Å; S705-G708 PolarHBondContact O-N 3.35Å
706I86.4Confident83.3Confident1 Ų152.7 Ų52.71%0.00526%0.257CS..Hα-helixtrans-73.9-31176.6-166.3178.1000112.5P702 V703 G708 I710 K780 M781 K784 I906P702-I706 PolarHBondContact O-N 2.9Å; V703-I706 WeakPolarHBondContact O-CG2 3.1Å; I706-G708 VanDerWaalsContact C-N 3.27Å; I706-I710 HydrophobicContact CG1-CD1 3.99Å; I706-K780 HydrophobicContact CD1-CD 3.29Å; I706-K780 HydrophobicContact CD1-CG 3.5Å; I706-M781 HydrophobicContact CD1-CE 3.67Å; I706-K784 WeakPolarHBondContact O-CD 3.43Å; I706-K784 WeakPolarHBondContact O-CE 3.4Å; I706-K784 PolarHBondContact O-NZ 3.01Å; I706-I906 HydrophobicContact CD1-CD1 4.28Å; I706-I906 HydrophobicContact CG1-CD1 4.45Å; I706-I906 HydrophobicContact CG2-CD1 3.51Å
707K87.8Confident82.6Confident16 Ų1654.7 Ų54.77%0.0727%0.268CS..Hα-helixtrans-68.7-27.3170.5-77.1-175174.7-161.20112.2E664 L668 L670 V703 N704 K784 Y787 I906E664-K707 IonicContact OE1-NZ 3.72Å; E664-K707 PolarHBondContact OE1-NZ 3.28Å; E664-K707 IonicContact OE2-NZ 3.62Å; E664-K707 PolarHBondContact OE2-NZ 2.95Å; L668-K707 HydrophobicContact CD1-CD 3.97Å; L670-K707 HydrophobicContact CD1-CB 3.9Å; V703-K707 HydrophobicContact CG1-CD 4.16Å; V703-K707 HydrophobicContact CG1-CG 4.41Å; V703-K707 WeakPolarHBondContact O-CB 3.42Å; V703-K707 WeakPolarHBondContact O-CG 3.09Å; V703-K707 PolarHBondContact O-N 2.88Å; N704-K707 PolarHBondContact O-N 3.06Å; K707-K784 VanDerWaalsContact C-NZ 3.32Å; K707-K784 PolarHBondContact O-NZ 3.36Å; K707-Y787 HydrophobicContact CB-CE1 4.04Å; K707-Y787 HydrophobicContact CG-CE1 4.2Å; K707-I906 WeakPolarHBondContact CE-O 3.41Å; K707-I906 HydrophobicContact CG-CD1 4.28Å; K707-I906 HydrophobicContact CG-CG2 4.38Å; K707-I906 PolarHBondContact NZ-O 2.96Å; K707-I906 VanDerWaalsContact NZ-O 3.16Å
708G83.2Confident81.8Confident3 Ų359 Ų593%0.03129%0.292CS..SBendtrans-69-175.817400000114.8N704 S705 I706 I710 K784N704-G708 PolarHBondContact O-N 3.41Å; S705-G708 PolarHBondContact O-N 3.35Å; I706-G708 VanDerWaalsContact C-N 3.27Å; G708-I710 PolarHBondContact O-N 2.97Å; G708-K784 PolarHBondContact O-NZ 3.49Å
709V82.7Confident81Confident67 Ų6761.4 Ų61.441%0.40632%0.317SS..EExtended strand (participates in β ladder)trans-73.5125.6179.7-1790000109.2V680 T681V680-V709 HydrophobicContact CG1-CG1 4.44Å; V680-V709 HydrophobicContact CG2-CB 4.46Å; T681-V709 PolarHBondContact N-O 3.36Å
710I84.3Confident80.6Confident9 Ų960.2 Ų60.25%0.04632%0.322CS..EExtended strand (participates in β ladder)trans-106.3125.2176.2-59.7171.3000107.9T681 I683 L698 I706 G708 V712 F731T681-I710 CarbonylContact O-C 3.47Å; T681-I710 WeakPolarHBondContact O-CA 3.31Å; I683-I710 HydrophobicContact CD1-CG2 3.99Å; I683-I710 HydrophobicContact CG1-CG2 4.14Å; I683-I710 HydrophobicContact CG2-CG2 4.43Å; L698-I710 HydrophobicContact CD2-CD1 4.11Å; L698-I710 HydrophobicContact CD2-CG2 4.47Å; I706-I710 HydrophobicContact CG1-CD1 3.99Å; G708-I710 PolarHBondContact O-N 2.97Å; I710-V712 HydrophobicContact CG2-CG2 4.35Å; I710-F731 HydrophobicContact CB-CD2 3.65Å; I710-F731 HydrophobicContact CB-CE2 3.82Å; I710-F731 HydrophobicContact CB-CG 4.24Å; I710-F731 HydrophobicContact CD1-CD2 4.43Å; I710-F731 HydrophobicContact CD1-CE2 3.7Å; I710-F731 HydrophobicContact CD1-CZ 4.04Å; I710-F731 HydrophobicContact CG1-CE2 4.33Å; I710-F731 HydrophobicContact CG2-CD2 3.61Å; I710-F731 HydrophobicContact CG2-CE2 3.88Å; I710-F731 WeakPolarHBondContact O-CB 3.41Å
711R82.4Confident80.2Confident83 Ų8354.8 Ų54.831%0.31331%0.308SS..EExtended strand (participates in β ladder)trans-107125.1172.2-75.3-170.6178159.5-2.5109.5V680 T681 H682 I683 D728V680-R711 HydrophobicContact CG1-CB 4.08Å; V680-R711 HydrophobicContact CG1-CG 3.6Å; T681-R711 PolarHBondContact O-N 2.93Å; H682-R711 WeakPolarHBondContact CA-O 3.4Å; I683-R711 PolarHBondContact N-O 3.16Å; R711-D728 IonicContact CZ-OD1 2.69Å; R711-D728 IonicContact NE-OD1 2.79Å; R711-D728 PolarHBondContact NE-OD1 2.85Å; R711-D728 IonicContact NH2-OD1 3.99Å; R711-D728 PolarHBondContact NH2-OD1 3.36Å; R711-D728 IonicContact NH2-OD2 3.97Å
712V82.4Confident79.5Confident10 Ų1055.3 Ų55.36%0.06131%0.309CS..EExtended strand (participates in β ladder)trans-102.2130.8-178.6-174.20000109.3I683 I685 I710 F714 V730 F731 F734I683-V712 HydrophobicContact CD1-CG1 4.41Å; I683-V712 HydrophobicContact CD1-CG2 3.72Å; I683-V712 HydrophobicContact CG1-CB 4.16Å; I683-V712 HydrophobicContact CG1-CG1 4.14Å; I683-V712 HydrophobicContact CG1-CG2 3.75Å; I685-V712 HydrophobicContact CB-CG1 4.13Å; I685-V712 HydrophobicContact CG1-CG1 3.67Å; I710-V712 HydrophobicContact CG2-CG2 4.35Å; V712-F714 HydrophobicContact CB-CE2 4.47Å; V712-F714 HydrophobicContact CG1-CD2 4.13Å; V712-F714 HydrophobicContact CG1-CE2 3.73Å; V712-F714 HydrophobicContact CG1-CZ 4.06Å; V712-V730 HydrophobicContact CB-CB 4.32Å; V712-V730 VanDerWaalsContact O-CG2 3.28Å; V712-V730 WeakPolarHBondContact O-CG2 3.4Å; V712-F731 HydrophobicContact CG2-CB 4.01Å; V712-F731 HydrophobicContact CG2-CD2 3.88Å; V712-F731 HydrophobicContact CG2-CG 4.47Å; V712-F734 HydrophobicContact CB-CB 4.44Å; V712-F734 HydrophobicContact CG1-CB 4.09Å; V712-F734 HydrophobicContact CG1-CD2 4.29Å; V712-F734 HydrophobicContact CG1-CG 4.21Å; V712-F734 HydrophobicContact CG2-CB 3.97Å; V712-F734 HydrophobicContact CG2-CD1 4.11Å; V712-F734 HydrophobicContact CG2-CG 4.06Å
713K82.2Confident78.1Confident84 Ų8456.4 Ų56.437%0.36533%0.325SS..EExtended strand (participates in β ladder)trans-112.8116.3174.6-167.8-175.4-165.9-159.10109.1I683 T684 I685 D721I683-K713 PolarHBondContact O-N 2.88Å; T684-K713 CarbonylContact C-O 3.59Å; T684-K713 WeakPolarHBondContact CA-O 3.24Å; I685-K713 PolarHBondContact N-O 3.37Å; K713-D721 WeakPolarHBondContact CE-OD1 3.4Å; K713-D721 WeakPolarHBondContact CE-OD2 3.47Å; K713-D721 IonicContact NZ-OD1 3.1Å; K713-D721 PolarHBondContact NZ-OD1 3.12Å; K713-D721 IonicContact NZ-OD2 2.71Å; K713-D721 PolarHBondContact NZ-OD2 3.22Å
714F81.2Confident77Confident8 Ų857.5 Ų57.54%0.03535%0.348CS..EExtended strand (participates in β ladder)trans-85.3132.4176.3-74.2-84.7000111.1I685 R687 V712 E722 V730 F734I685-F714 HydrophobicContact CB-CD1 4.24Å; I685-F714 HydrophobicContact CB-CE1 4.21Å; I685-F714 HydrophobicContact CG2-CD1 4.2Å; I685-F714 HydrophobicContact CG2-CE1 3.87Å; I685-F714 VanDerWaalsContact O-CA 3.32Å; I685-F714 WeakPolarHBondContact O-CA 3.38Å; R687-F714 HydrophobicContact CG-CD1 3.78Å; R687-F714 HydrophobicContact CG-CE1 4.11Å; V712-F714 HydrophobicContact CB-CE2 4.47Å; V712-F714 HydrophobicContact CG1-CD2 4.13Å; V712-F714 HydrophobicContact CG1-CE2 3.73Å; V712-F714 HydrophobicContact CG1-CZ 4.06Å; F714-E722 HydrophobicContact CB-CG 4.42Å; F714-E722 PolarHBondContact O-N 3.32Å; F714-V730 HydrophobicContact CD2-CB 4.08Å; F714-V730 HydrophobicContact CD2-CG1 3.56Å; F714-V730 HydrophobicContact CE2-CB 3.83Å; F714-V730 HydrophobicContact CE2-CG1 3.36Å; F714-F734 HydrophobicContact CZ-CB 4.03Å
715V82.2Confident75.7Confident12 Ų1255.7 Ų55.77%0.07334%0.338CS..EExtended strand (participates in β ladder)trans-127147.2176.7-62.90000109.7T684 I685 R686 V720T684-V715 HydrophobicContact CG2-CB 4.31Å; T684-V715 HydrophobicContact CG2-CG1 3.61Å; T684-V715 HydrophobicContact CG2-CG2 3.66Å; I685-V715 PolarHBondContact O-N 2.89Å; R686-V715 WeakPolarHBondContact CA-O 3.24Å; R686-V715 HydrophobicContact CG-CG2 3.68Å; V715-V720 WeakPolarHBondContact CA-O 3.35Å
716N78.3Confident74.2Confident59 Ų5960.1 Ų60.132%0.31636%0.359SS..  trans-73.9176.5174.568.116.7000111.7L718 G719 V720N716-L718 PolarHBondContact O-N 2.97Å; N716-L718 VanDerWaalsContact O-N 3.08Å; N716-L718 WeakPolarHBondContact OD1-CA 3.12Å; N716-L718 WeakPolarHBondContact OD1-CB 3.17Å; N716-L718 PolarHBondContact OD1-N 2.74Å; N716-L718 VanDerWaalsContact OD1-N 3.09Å; N716-G719 PolarHBondContact O-N 3.33Å; N716-G719 PolarHBondContact OD1-N 2.78Å; N716-G719 VanDerWaalsContact OD1-N 3.14Å; N716-V720 PolarHBondContact N-O 3.01Å; N716-V720 PolarHBondContact OD1-N 3.14Å; N716-V720 PolarHBondContact OD1-O 3.37Å
717D73.9Confident72.3Confident117 Ų11767 Ų6763%0.62639%0.391SS*.THydrogen-bonded Turntrans-62.1-18.3-179-68.3-40.7000113.8S688S688-D717 WeakPolarHBondContact CB-OD1 3.44Å; S688-D717 PolarHBondContact OG-OD1 3.25Å
718L71.6Confident70.5Confident156 Ų15671.7 Ų71.782%0.81742%0.418SS*.THydrogen-bonded Turntrans-90.72.2175.1-60.8172.6000112.8N716 V720N716-L718 PolarHBondContact O-N 2.97Å; N716-L718 VanDerWaalsContact O-N 3.08Å; N716-L718 WeakPolarHBondContact OD1-CA 3.12Å; N716-L718 WeakPolarHBondContact OD1-CB 3.17Å; N716-L718 PolarHBondContact OD1-N 2.74Å; N716-L718 VanDerWaalsContact OD1-N 3.09Å; L718-V720 VanDerWaalsContact C-N 3.31Å; L718-V720 HydrophobicContact CB-CG2 4.37Å; L718-V720 PolarHBondContact O-N 3.39Å
719G68.9Low69.2Low51 Ų5172.4 Ų72.453%0.52643%0.425SS..SBendtrans76.812.7179.300000114.7N716N716-G719 PolarHBondContact O-N 3.33Å; N716-G719 PolarHBondContact OD1-N 2.78Å; N716-G719 VanDerWaalsContact OD1-N 3.14Å
720V73.7Confident68.8Low85 Ų8569.6 Ų69.652%0.51541%0.408SS..PPolyproline II helixtrans-87.8137.6177.5-173.20000109.5V715 N716 L718 E722V715-V720 WeakPolarHBondContact CA-O 3.35Å; N716-V720 PolarHBondContact N-O 3.01Å; N716-V720 PolarHBondContact OD1-N 3.14Å; N716-V720 PolarHBondContact OD1-O 3.37Å; L718-V720 VanDerWaalsContact C-N 3.31Å; L718-V720 HydrophobicContact CB-CG2 4.37Å; L718-V720 PolarHBondContact O-N 3.39Å; V720-E722 PolarHBondContact O-N 2.95Å
721D70.3Confident68.6Low84 Ų8470.3 Ų70.345%0.44941%0.411SS..BIsolated β-bridgetrans-57.1132.2177.3-64.2-13.3000111.3K713 A723K713-D721 WeakPolarHBondContact CE-OD1 3.4Å; K713-D721 WeakPolarHBondContact CE-OD2 3.47Å; K713-D721 IonicContact NZ-OD1 3.1Å; K713-D721 PolarHBondContact NZ-OD1 3.12Å; K713-D721 IonicContact NZ-OD2 2.71Å; K713-D721 PolarHBondContact NZ-OD2 3.22Å; D721-A723 PolarHBondContact O-N 2.8Å
722E69.9Low68.5Low52 Ų5267.1 Ų67.124%0.24340%0.399CS..PPolyproline II helixtrans-69.1118.5171.5-69.3-170.3176.800110.1R687 F714 V720 I725R687-E722 IonicContact CZ-OE1 3.27Å; R687-E722 IonicContact CZ-OE2 2.95Å; R687-E722 VanDerWaalsContact CZ-OE2 3.24Å; R687-E722 IonicContact NE-OE2 3.46Å; R687-E722 VanDerWaalsContact NH1-CD 3.32Å; R687-E722 IonicContact NH1-OE1 2.73Å; R687-E722 PolarHBondContact NH1-OE1 3.11Å; R687-E722 IonicContact NH1-OE2 2.66Å; R687-E722 PolarHBondContact NH1-OE2 2.82Å; R687-E722 IonicContact NH2-OE2 3.59Å; F714-E722 HydrophobicContact CB-CG 4.42Å; F714-E722 PolarHBondContact O-N 3.32Å; V720-E722 PolarHBondContact O-N 2.95Å; E722-I725 HydrophobicContact CB-CD1 4.04Å
723A54.2Low68.3Low105 Ų10567.2 Ų67.287%0.86840%0.399SS*.THydrogen-bonded Turntrans-71.3133.9-177.200000111.8D721D721-A723 PolarHBondContact O-N 2.8Å
724G55.4Low68.3Low82 Ų8263.2 Ų63.285%0.84538%0.381SS*.THydrogen-bonded Turntrans99.210.3170.400000116.7
725I54.8Low68.5Low59 Ų5962.8 Ų62.830%0.30338%0.38SS..  trans-101.7107.9177.1-56.3178000109.2E722 V730E722-I725 HydrophobicContact CB-CD1 4.04Å; I725-V730 HydrophobicContact CG2-CB 4.42Å; I725-V730 HydrophobicContact CG2-CG1 3.87Å; I725-V730 HydrophobicContact CG2-CG2 3.57Å
726D52.1Low68.4Low119 Ų11962.7 Ų62.764%0.63638%0.378SS*.  trans-57134.7178.8-75.5-35.6000111.5D728D726-D728 PolarHBondContact O-N 3.4Å
727Q47.5Very low68.6Low145 Ų14563.2 Ų63.268%0.67838%0.379SS*.THydrogen-bonded Turntrans-61.99.2-166.7-73.9-96-18.600117
728D49.3Very low69.2Low116 Ų11657.7 Ų57.762%0.6235%0.349SS*.THydrogen-bonded Turntrans-132.69.1-165.3-96.8-31.1000117.9R711 D726R711-D728 IonicContact CZ-OD1 2.69Å; R711-D728 IonicContact NE-OD1 2.79Å; R711-D728 PolarHBondContact NE-OD1 2.85Å; R711-D728 IonicContact NH2-OD1 3.99Å; R711-D728 PolarHBondContact NH2-OD1 3.36Å; R711-D728 IonicContact NH2-OD2 3.97Å; D726-D728 PolarHBondContact O-N 3.4Å
729G56.9Low69.9Low17 Ų1750.5 Ų50.518%0.17531%0.311CS..  trans-153.520.6-17500000120.4C1036 F1037G729-C1036 WeakPolarHBondContact O-CB 3.47Å; G729-F1037 VanDerWaalsContact CA-CE1 3.46Å
730V73.1Confident70.6Confident9 Ų953.7 Ų53.76%0.05531%0.311CS..  trans-90.7-0.7-175.7-122.80000114.8V712 F714 I725 E733 F734V712-V730 HydrophobicContact CB-CB 4.32Å; V712-V730 VanDerWaalsContact O-CG2 3.28Å; V712-V730 WeakPolarHBondContact O-CG2 3.4Å; F714-V730 HydrophobicContact CD2-CB 4.08Å; F714-V730 HydrophobicContact CD2-CG1 3.56Å; F714-V730 HydrophobicContact CE2-CB 3.83Å; F714-V730 HydrophobicContact CE2-CG1 3.36Å; I725-V730 HydrophobicContact CG2-CB 4.42Å; I725-V730 HydrophobicContact CG2-CG1 3.87Å; I725-V730 HydrophobicContact CG2-CG2 3.57Å; V730-E733 HydrophobicContact CG1-CB 4.31Å; V730-E733 WeakPolarHBondContact CG1-OE2 3.34Å; V730-F734 WeakPolarHBondContact O-CB 3.38Å; V730-F734 PolarHBondContact O-N 3.13Å
731F80.8Confident71.2Confident24 Ų2453.2 Ų53.211%0.10530%0.302CS..Hα-helixtrans-69.5-39.8177.3177.8-107000113.3I710 V712 E733 F734 L735 K784 I790I710-F731 HydrophobicContact CB-CD2 3.65Å; I710-F731 HydrophobicContact CB-CE2 3.82Å; I710-F731 HydrophobicContact CB-CG 4.24Å; I710-F731 HydrophobicContact CD1-CD2 4.43Å; I710-F731 HydrophobicContact CD1-CE2 3.7Å; I710-F731 HydrophobicContact CD1-CZ 4.04Å; I710-F731 HydrophobicContact CG1-CE2 4.33Å; I710-F731 HydrophobicContact CG2-CD2 3.61Å; I710-F731 HydrophobicContact CG2-CE2 3.88Å; I710-F731 WeakPolarHBondContact O-CB 3.41Å; V712-F731 HydrophobicContact CG2-CB 4.01Å; V712-F731 HydrophobicContact CG2-CD2 3.88Å; V712-F731 HydrophobicContact CG2-CG 4.47Å; F731-E733 VanDerWaalsContact C-N 3.33Å; F731-E733 PolarHBondContact O-N 3Å; F731-F734 HydrophobicContact CD2-CD1 4.28Å; F731-F734 HydrophobicContact CE2-CD1 4.33Å; F731-F734 PolarHBondContact O-N 3.17Å; F731-L735 HydrophobicContact CE1-CD2 4.04Å; F731-L735 HydrophobicContact CZ-CD2 4.28Å; F731-L735 VanDerWaalsContact O-CB 3.29Å; F731-L735 WeakPolarHBondContact O-CB 3.41Å; F731-L735 PolarHBondContact O-N 3.33Å; F731-K784 HydrophobicContact CE1-CG 4.16Å; F731-K784 HydrophobicContact CZ-CG 3.74Å; F731-I790 HydrophobicContact CD1-CD1 4.49Å; F731-I790 HydrophobicContact CE1-CD1 4.38Å
732K79.1Confident72.1Confident16 Ų1649.3 Ų49.37%0.0728%0.281CS..Hα-helixtrans-62.8-43178.2-175.6-175.7168.1-150.30110.9L735 E736 I790 T977 T1035 N1038K732-L735 PolarHBondContact O-N 2.98Å; K732-E736 WeakPolarHBondContact CE-OE1 3.29Å; K732-E736 HydrophobicContact CG-CG 4.49Å; K732-E736 IonicContact NZ-OE1 2.99Å; K732-E736 PolarHBondContact NZ-OE1 3.33Å; K732-E736 WeakPolarHBondContact O-CB 3.48Å; K732-E736 WeakPolarHBondContact O-CG 3.49Å; K732-E736 PolarHBondContact O-N 3.45Å; K732-I790 HydrophobicContact CG-CG2 4.13Å; K732-T977 PolarHBondContact NZ-O 3.1Å; K732-T1035 PolarHBondContact NZ-O 2.65Å; K732-N1038 PolarHBondContact NZ-OD1 3.36Å
733E78.4Confident73Confident11 Ų1147.3 Ų47.35%0.05127%0.272CS..Hα-helixtrans-56.1-57.4174.9-170.7177.6158.900110.9R687 V730 F731 L735 E736 E737 C1036R687-E733 IonicContact NH2-OE1 2.66Å; R687-E733 PolarHBondContact NH2-OE1 3.47Å; R687-E733 VanDerWaalsContact NH2-OE1 3.15Å; V730-E733 HydrophobicContact CG1-CB 4.31Å; V730-E733 WeakPolarHBondContact CG1-OE2 3.34Å; F731-E733 VanDerWaalsContact C-N 3.33Å; F731-E733 PolarHBondContact O-N 3Å; E733-L735 VanDerWaalsContact C-N 3.28Å; E733-L735 PolarHBondContact O-N 3.26Å; E733-E736 PolarHBondContact O-N 3.14Å; E733-E737 WeakPolarHBondContact O-CG 3.35Å; E733-E737 PolarHBondContact O-N 2.86Å; E733-C1036 HydrophobicContact CB-CB 3.99Å; E733-C1036 VanDerWaalsContact CB-SG 3.56Å; E733-C1036 PolarHBondContact OE2-SG 3.28Å
734F83.7Confident74.6Confident0 Ų046.2 Ų46.20%025%0.251CS..Hα-helixtrans-53.7-44.1178.1168.8-99000112.7I683 I685 M690 L698 V712 F714 V730 F731 I738I683-F734 HydrophobicContact CD1-CD1 4.32Å; I683-F734 HydrophobicContact CD1-CE1 3.88Å; I683-F734 HydrophobicContact CD1-CE2 4.44Å; I683-F734 HydrophobicContact CD1-CZ 3.89Å; I685-F734 HydrophobicContact CB-CD2 4.43Å; I685-F734 HydrophobicContact CB-CE2 4.4Å; I685-F734 HydrophobicContact CD1-CD2 4.32Å; I685-F734 HydrophobicContact CD1-CE2 3.54Å; I685-F734 HydrophobicContact CD1-CZ 4.05Å; I685-F734 HydrophobicContact CG1-CD2 3.86Å; I685-F734 HydrophobicContact CG1-CE2 3.59Å; I685-F734 HydrophobicContact CG1-CZ 4.37Å; I685-F734 HydrophobicContact CG2-CD2 4.02Å; I685-F734 HydrophobicContact CG2-CE2 3.97Å; M690-F734 HydrophobicContact CG-CD2 3.82Å; M690-F734 HydrophobicContact CG-CE2 3.86Å; M690-F734 HydrophobicContact SD-CD2 4.1Å; L698-F734 HydrophobicContact CD1-CE1 3.49Å; L698-F734 VanDerWaalsContact CD1-CE1 3.49Å; L698-F734 HydrophobicContact CD1-CZ 3.74Å; V712-F734 HydrophobicContact CB-CB 4.44Å; V712-F734 HydrophobicContact CG1-CB 4.09Å; V712-F734 HydrophobicContact CG1-CD2 4.29Å; V712-F734 HydrophobicContact CG1-CG 4.21Å; V712-F734 HydrophobicContact CG2-CB 3.97Å; V712-F734 HydrophobicContact CG2-CD1 4.11Å; V712-F734 HydrophobicContact CG2-CG 4.06Å; F714-F734 HydrophobicContact CZ-CB 4.03Å; V730-F734 WeakPolarHBondContact O-CB 3.38Å; V730-F734 PolarHBondContact O-N 3.13Å; F731-F734 HydrophobicContact CD2-CD1 4.28Å; F731-F734 HydrophobicContact CE2-CD1 4.33Å; F731-F734 PolarHBondContact O-N 3.17Å; F734-I738 HydrophobicContact CD1-CD1 4.35Å; F734-I738 HydrophobicContact CD2-CD1 4Å; F734-I738 HydrophobicContact CD2-CG1 4.37Å; F734-I738 HydrophobicContact CE1-CD1 3.67Å; F734-I738 HydrophobicContact CE2-CD1 3.27Å; F734-I738 HydrophobicContact CE2-CG1 4.07Å; F734-I738 HydrophobicContact CZ-CD1 3.1Å; F734-I738 HydrophobicContact CZ-CG1 4.25Å; F734-I738 WeakPolarHBondContact O-CB 3.46Å; F734-I738 WeakPolarHBondContact O-CG1 3.48Å; F734-I738 PolarHBondContact O-N 3.48Å
735L85.1Confident76.1Confident0 Ų045.1 Ų45.10%023%0.229CC..Hα-helixtrans-65-46.8179.6-177.362.9000111.8F731 K732 E733 I739 M781 A785 I790F731-L735 HydrophobicContact CE1-CD2 4.04Å; F731-L735 HydrophobicContact CZ-CD2 4.28Å; F731-L735 VanDerWaalsContact O-CB 3.29Å; F731-L735 WeakPolarHBondContact O-CB 3.41Å; F731-L735 PolarHBondContact O-N 3.33Å; K732-L735 PolarHBondContact O-N 2.98Å; E733-L735 VanDerWaalsContact C-N 3.28Å; E733-L735 PolarHBondContact O-N 3.26Å; L735-I739 HydrophobicContact CD1-CD1 3.95Å; L735-I739 HydrophobicContact CD1-CG1 4.47Å; L735-I739 HydrophobicContact CG-CD1 3.98Å; L735-I739 VanDerWaalsContact O-CB 3.3Å; L735-I739 WeakPolarHBondContact O-CB 3.49Å; L735-I739 WeakPolarHBondContact O-CD1 3.36Å; L735-I739 WeakPolarHBondContact O-CG1 3.28Å; L735-I739 PolarHBondContact O-N 2.91Å; L735-M781 HydrophobicContact CD1-CB 3.88Å; L735-M781 HydrophobicContact CD1-CG 4.49Å; L735-M781 HydrophobicContact CD1-SD 4.27Å; L735-A785 HydrophobicContact CD2-CB 3.77Å; L735-I790 HydrophobicContact CD2-CD1 3.93Å; L735-I790 HydrophobicContact CD2-CG2 4.42Å
736E79.6Confident77.6Confident9 Ų946.5 Ų46.54%0.04225%0.249CC..Hα-helixtrans-63.9-43.8178.9-74.7179.4166.100112.1K732 E733 I739 K740 S978K732-E736 WeakPolarHBondContact CE-OE1 3.29Å; K732-E736 HydrophobicContact CG-CG 4.49Å; K732-E736 IonicContact NZ-OE1 2.99Å; K732-E736 PolarHBondContact NZ-OE1 3.33Å; K732-E736 WeakPolarHBondContact O-CB 3.48Å; K732-E736 WeakPolarHBondContact O-CG 3.49Å; K732-E736 PolarHBondContact O-N 3.45Å; E733-E736 PolarHBondContact O-N 3.14Å; E736-I739 PolarHBondContact O-N 3.19Å; E736-K740 WeakPolarHBondContact O-CB 3.43Å; E736-K740 VanDerWaalsContact O-CG 3.25Å; E736-K740 WeakPolarHBondContact O-CG 3.48Å; E736-K740 PolarHBondContact O-N 2.76Å; E736-S978 WeakPolarHBondContact OE2-CB 3.4Å; E736-S978 PolarHBondContact OE2-OG 3.49Å
737E82.6Confident79.3Confident70 Ų7043.2 Ų43.233%0.32723%0.232SC..Hα-helixtrans-68.8-41.1-179.9-66-167.8142.300112M690 E733 I739 K740 K741M690-E737 HydrophobicContact CE-CB 3.23Å; M690-E737 HydrophobicContact CE-CG 4.4Å; M690-E737 HydrophobicContact SD-CB 3.62Å; M690-E737 VanDerWaalsContact SD-OE2 3.33Å; E733-E737 WeakPolarHBondContact O-CG 3.35Å; E733-E737 PolarHBondContact O-N 2.86Å; E737-I739 VanDerWaalsContact C-N 3.34Å; E737-I739 PolarHBondContact O-N 2.78Å; E737-K740 PolarHBondContact O-N 2.62Å; E737-K741 WeakPolarHBondContact O-CB 3.07Å; E737-K741 PolarHBondContact O-N 3.26Å
738I87.3Confident81.4Confident2 Ų238.3 Ų38.31%0.0121%0.21CC..Hα-helixtrans-60.2-48.3174.7-79.2-170.7000110.4M690 L691 F734 K740 K741 V742 F777M690-I738 HydrophobicContact CE-CG1 4.18Å; M690-I738 HydrophobicContact CG-CD1 4.19Å; M690-I738 HydrophobicContact CG-CG1 3.72Å; M690-I738 HydrophobicContact SD-CG1 4.04Å; L691-I738 HydrophobicContact CD1-CG2 4.4Å; F734-I738 HydrophobicContact CD1-CD1 4.35Å; F734-I738 HydrophobicContact CD2-CD1 4Å; F734-I738 HydrophobicContact CD2-CG1 4.37Å; F734-I738 HydrophobicContact CE1-CD1 3.67Å; F734-I738 HydrophobicContact CE2-CD1 3.27Å; F734-I738 HydrophobicContact CE2-CG1 4.07Å; F734-I738 HydrophobicContact CZ-CD1 3.1Å; F734-I738 HydrophobicContact CZ-CG1 4.25Å; F734-I738 WeakPolarHBondContact O-CB 3.46Å; F734-I738 WeakPolarHBondContact O-CG1 3.48Å; F734-I738 PolarHBondContact O-N 3.48Å; I738-K740 VanDerWaalsContact C-N 3.34Å; I738-K740 PolarHBondContact O-N 2.88Å; I738-K741 PolarHBondContact O-N 3.39Å; I738-V742 HydrophobicContact CG2-CG2 4.24Å; I738-V742 VanDerWaalsContact O-CG2 3.31Å; I738-V742 WeakPolarHBondContact O-CG2 3.48Å; I738-V742 PolarHBondContact O-N 3.18Å; I738-F777 HydrophobicContact CD1-CE1 4.33Å; I738-F777 HydrophobicContact CD1-CZ 4.19Å; I738-F777 HydrophobicContact CG2-CE1 4.16Å
739I85.8Confident83.4Confident4 Ų432.8 Ų32.82%0.02118%0.18CC..Hα-helixtrans-57.6-49.8178.6-77.2175000109.6L735 E736 E737 K741 V742 F743 L782 V792 V794L735-I739 HydrophobicContact CD1-CD1 3.95Å; L735-I739 HydrophobicContact CD1-CG1 4.47Å; L735-I739 HydrophobicContact CG-CD1 3.98Å; L735-I739 VanDerWaalsContact O-CB 3.3Å; L735-I739 WeakPolarHBondContact O-CB 3.49Å; L735-I739 WeakPolarHBondContact O-CD1 3.36Å; L735-I739 WeakPolarHBondContact O-CG1 3.28Å; L735-I739 PolarHBondContact O-N 2.91Å; E736-I739 PolarHBondContact O-N 3.19Å; E737-I739 VanDerWaalsContact C-N 3.34Å; E737-I739 PolarHBondContact O-N 2.78Å; I739-K741 VanDerWaalsContact C-N 3.31Å; I739-K741 PolarHBondContact O-N 3.47Å; I739-V742 PolarHBondContact O-N 3.41Å; I739-F743 HydrophobicContact CB-CD2 4.27Å; I739-F743 HydrophobicContact CB-CE2 4.32Å; I739-F743 HydrophobicContact CG1-CE2 4.37Å; I739-F743 HydrophobicContact CG2-CD2 3.52Å; I739-F743 HydrophobicContact CG2-CE2 3.71Å; I739-F743 WeakPolarHBondContact O-CB 3.35Å; I739-F743 WeakPolarHBondContact O-CD2 3.44Å; I739-F743 PolarHBondContact O-N 3.29Å; I739-L782 HydrophobicContact CD1-CD1 4.49Å; I739-V792 HydrophobicContact CB-CG1 4.32Å; I739-V792 HydrophobicContact CD1-CB 4.47Å; I739-V792 HydrophobicContact CD1-CG1 3.78Å; I739-V792 HydrophobicContact CD1-CG2 3.92Å; I739-V792 HydrophobicContact CG2-CG1 3.34Å; I739-V794 HydrophobicContact CG2-CG2 3.52Å
740K83.9Confident85.2Confident118 Ų11832 Ų3251%0.51317%0.172SC..Hα-helixtrans-57.5-42.5177.4-75.2170.2-174.4169.30112.1E736 E737 I738 N744 S978E736-K740 WeakPolarHBondContact O-CB 3.43Å; E736-K740 VanDerWaalsContact O-CG 3.25Å; E736-K740 WeakPolarHBondContact O-CG 3.48Å; E736-K740 PolarHBondContact O-N 2.76Å; E737-K740 PolarHBondContact O-N 2.62Å; I738-K740 VanDerWaalsContact C-N 3.34Å; I738-K740 PolarHBondContact O-N 2.88Å; K740-N744 PolarHBondContact O-N 2.88Å; K740-S978 PolarHBondContact NZ-OG 3.06Å
741K85.9Confident86Confident76 Ų7636.6 Ų36.633%0.3319%0.191SC..Hα-helixtrans-67.3-42.2-179.9-170.7172.7178.9-175.50112L691 E692 E737 I738 I739 N744L691-K741 HydrophobicContact CB-CD 4.18Å; E692-K741 IonicContact OE2-NZ 3.82Å; E737-K741 WeakPolarHBondContact O-CB 3.07Å; E737-K741 PolarHBondContact O-N 3.26Å; I738-K741 PolarHBondContact O-N 3.39Å; I739-K741 VanDerWaalsContact C-N 3.31Å; I739-K741 PolarHBondContact O-N 3.47Å; K741-N744 WeakPolarHBondContact O-CB 3.33Å
742V88.1Confident86.5Confident1 Ų138 Ų381%0.00620%0.202CC..Hα-helixtrans-77.4-37.1-176178.70000112.6L691 I738 I739 N744 L749 F750 V778L691-V742 HydrophobicContact CD1-CG2 3.45Å; L691-V742 VanDerWaalsContact CD1-CG2 3.45Å; L691-V742 HydrophobicContact CD2-CG2 4.14Å; L691-V742 HydrophobicContact CG-CG2 4.44Å; I738-V742 HydrophobicContact CG2-CG2 4.24Å; I738-V742 VanDerWaalsContact O-CG2 3.31Å; I738-V742 WeakPolarHBondContact O-CG2 3.48Å; I738-V742 PolarHBondContact O-N 3.18Å; I739-V742 PolarHBondContact O-N 3.41Å; V742-N744 PolarHBondContact O-N 3.48Å; V742-L749 HydrophobicContact CG1-CD1 3.64Å; V742-F750 HydrophobicContact CG1-CD2 4.5Å; V742-F750 HydrophobicContact CG1-CE2 4.23Å; V742-V778 HydrophobicContact CB-CG2 3.97Å; V742-V778 HydrophobicContact CG1-CB 4.23Å; V742-V778 HydrophobicContact CG1-CG1 4.05Å; V742-V778 HydrophobicContact CG1-CG2 3.14Å; V742-V778 HydrophobicContact CG2-CG2 4.03Å
743F88.9Confident86.9Confident11 Ų1137.6 Ų37.65%0.04820%0.201CC..SBendtrans-78.3-2.8177.3-70.6-59.9000113.6I739 P745 F750 L759 V778 V794 F796 F899I739-F743 HydrophobicContact CB-CD2 4.27Å; I739-F743 HydrophobicContact CB-CE2 4.32Å; I739-F743 HydrophobicContact CG1-CE2 4.37Å; I739-F743 HydrophobicContact CG2-CD2 3.52Å; I739-F743 HydrophobicContact CG2-CE2 3.71Å; I739-F743 WeakPolarHBondContact O-CB 3.35Å; I739-F743 WeakPolarHBondContact O-CD2 3.44Å; I739-F743 PolarHBondContact O-N 3.29Å; F743-P745 VanDerWaalsContact O-CD 3.32Å; F743-P745 WeakPolarHBondContact O-CD 3.42Å; F743-F750 HydrophobicContact CD1-CB 4.49Å; F743-F750 AromaticContact CD1-CD1 3.99Å; F743-F750 HydrophobicContact CD1-CD1 3.99Å; F743-F750 AromaticContact CD1-CD2 3.55Å; F743-F750 HydrophobicContact CD1-CD2 3.55Å; F743-F750 HydrophobicContact CD1-CE1 4.12Å; F743-F750 AromaticContact CD1-CE2 3.68Å; F743-F750 HydrophobicContact CD1-CE2 3.68Å; F743-F750 AromaticContact CD1-CG 3.74Å; F743-F750 HydrophobicContact CD1-CG 3.74Å; F743-F750 AromaticContact CD1-CZ 3.98Å; F743-F750 HydrophobicContact CD1-CZ 3.98Å; F743-F750 HydrophobicContact CE1-CD1 4.05Å; F743-F750 AromaticContact CE1-CD2 3.85Å; F743-F750 HydrophobicContact CE1-CD2 3.85Å; F743-F750 AromaticContact CE1-CE1 3.69Å; F743-F750 HydrophobicContact CE1-CE1 3.69Å; F743-F750 AromaticContact CE1-CE2 3.46Å; F743-F750 HydrophobicContact CE1-CE2 3.46Å; F743-F750 VanDerWaalsContact CE1-CE2 3.46Å; F743-F750 HydrophobicContact CE1-CG 4.15Å; F743-F750 AromaticContact CE1-CZ 3.39Å; F743-F750 HydrophobicContact CE1-CZ 3.39Å; F743-F750 HydrophobicContact CZ-CE2 4.45Å; F743-F750 HydrophobicContact CZ-CZ 4.36Å; F743-L759 HydrophobicContact CB-CD1 3.83Å; F743-L759 HydrophobicContact CD1-CD1 4.22Å; F743-L759 HydrophobicContact CG-CD1 4.24Å; F743-V778 HydrophobicContact CE1-CG1 4.07Å; F743-V778 HydrophobicContact CE2-CG1 4.1Å; F743-V778 HydrophobicContact CZ-CG1 3.54Å; F743-V794 HydrophobicContact CB-CG1 4.48Å; F743-V794 HydrophobicContact CD1-CG1 4.14Å; F743-V794 HydrophobicContact CD2-CB 4.48Å; F743-V794 HydrophobicContact CD2-CG1 3.86Å; F743-V794 HydrophobicContact CD2-CG2 3.75Å; F743-V794 HydrophobicContact CE1-CG1 4.4Å; F743-V794 HydrophobicContact CE2-CG1 4.14Å; F743-V794 HydrophobicContact CE2-CG2 4.13Å; F743-V794 HydrophobicContact CG-CG1 3.89Å; F743-V794 HydrophobicContact CG-CG2 4.42Å; F743-V794 HydrophobicContact CZ-CG1 4.41Å; F743-F796 HydrophobicContact CD1-CE1 4.14Å; F743-F796 AromaticContact CE1-CE1 3.43Å; F743-F796 HydrophobicContact CE1-CE1 3.43Å; F743-F796 VanDerWaalsContact CE1-CE1 3.43Å; F743-F796 AromaticContact CE1-CZ 3.68Å; F743-F796 HydrophobicContact CE1-CZ 3.68Å; F743-F796 HydrophobicContact CE2-CZ 4.23Å; F743-F796 AromaticContact CZ-CE1 3.81Å; F743-F796 HydrophobicContact CZ-CE1 3.81Å; F743-F796 AromaticContact CZ-CZ 3.52Å; F743-F796 HydrophobicContact CZ-CZ 3.52Å; F743-F899 HydrophobicContact CZ-CE2 4.48Å
744N87.6Confident86.8Confident81 Ų8140.9 Ų40.943%0.43323%0.225SC..  trans-66.4120.7172.9-172.2-26.2000110.3K740 K741 V742 A746 L747K740-N744 PolarHBondContact O-N 2.88Å; K741-N744 WeakPolarHBondContact O-CB 3.33Å; V742-N744 PolarHBondContact O-N 3.48Å; N744-A746 PolarHBondContact O-N 3.06Å; N744-A746 VanDerWaalsContact O-N 3.07Å; N744-A746 VanDerWaalsContact OD1-CB 3.26Å; N744-A746 WeakPolarHBondContact OD1-CB 3.13Å; N744-A746 PolarHBondContact OD1-N 3.04Å; N744-L747 WeakPolarHBondContact O-CB 3.5Å; N744-L747 PolarHBondContact O-N 3.04Å
745P86.9Confident85.9Confident60 Ų6044.5 Ų44.539%0.3926%0.262SS..G310 helixtrans-57.6-24.2179.2-2636000114.4F743 L747 N748 F750 T752 L759F743-P745 VanDerWaalsContact O-CD 3.32Å; F743-P745 WeakPolarHBondContact O-CD 3.42Å; P745-L747 PolarHBondContact O-N 2.8Å; P745-N748 PolarHBondContact O-N 3.08Å; P745-F750 WeakPolarHBondContact CA-O 3.4Å; P745-T752 HydrophobicContact CG-CG2 3.9Å; P745-L759 HydrophobicContact CG-CD2 4.26Å
746A87.6Confident85Confident88 Ų8850.1 Ų50.173%0.72729%0.292SS*.G310 helixtrans-61.9-25.3176.100000113.3N744 N748N744-A746 PolarHBondContact O-N 3.06Å; N744-A746 VanDerWaalsContact O-N 3.07Å; N744-A746 VanDerWaalsContact OD1-CB 3.26Å; N744-A746 WeakPolarHBondContact OD1-CB 3.13Å; N744-A746 PolarHBondContact OD1-N 3.04Å; A746-N748 VanDerWaalsContact C-N 3.26Å; A746-N748 PolarHBondContact O-N 2.9Å
747L88.2Confident85.1Confident50 Ų5056.9 Ų56.926%0.26232%0.324SS..G310 helixtrans-78.2-10.2175.1-166.465000112.2L691 N744 P745 L749 H768L691-L747 HydrophobicContact CD2-CD2 4.14Å; N744-L747 WeakPolarHBondContact O-CB 3.5Å; N744-L747 PolarHBondContact O-N 3.04Å; P745-L747 PolarHBondContact O-N 2.8Å; L747-L749 HydrophobicContact CD2-CD1 3.68Å; L747-L749 HydrophobicContact CD2-CG 4.16Å; L747-L749 HydrophobicContact CG-CD1 4.26Å; L747-L749 HydrophobicContact CG-CG 4.22Å; L747-L749 PolarHBondContact O-N 3.27Å; L747-L749 VanDerWaalsContact O-N 3.1Å; L747-H768 PolarHBondContact O-CE1 3.21Å; L747-H768 PolarHBondContact O-NE2 3.16Å
748N90.6Very high85.4Confident41 Ų4158.6 Ų58.622%0.21933%0.327CS..SBendtrans55.322.9-177.8-163.834.1000115.4P745 A746 S762 T764P745-N748 PolarHBondContact O-N 3.08Å; A746-N748 VanDerWaalsContact C-N 3.26Å; A746-N748 PolarHBondContact O-N 2.9Å; N748-S762 VanDerWaalsContact O-CB 3.31Å; N748-S762 WeakPolarHBondContact O-CB 3.25Å; N748-S762 WeakPolarHBondContact OD1-CB 3.28Å; N748-S762 PolarHBondContact OD1-OG 3.08Å; N748-T764 PolarHBondContact ND2-O 2.72Å; N748-T764 PolarHBondContact ND2-OG1 2.89Å; N748-T764 VanDerWaalsContact ND2-OG1 3.09Å; N748-T764 PolarHBondContact OD1-OG1 2.58Å
749L91.6Very high85.6Confident1 Ų159.1 Ų59.11%0.00533%0.33CS..SBendtrans-83.4-41.1165.1-69.6-179.8000110.5V742 L747 S762 H771 L774 F775V742-L749 HydrophobicContact CG1-CD1 3.64Å; L747-L749 HydrophobicContact CD2-CD1 3.68Å; L747-L749 HydrophobicContact CD2-CG 4.16Å; L747-L749 HydrophobicContact CG-CD1 4.26Å; L747-L749 HydrophobicContact CG-CG 4.22Å; L747-L749 PolarHBondContact O-N 3.27Å; L747-L749 VanDerWaalsContact O-N 3.1Å; L749-S762 PolarHBondContact O-N 3.35Å; L749-H771 HydrophobicContact CD2-CB 4.13Å; L749-L774 HydrophobicContact CD1-CB 4.13Å; L749-L774 HydrophobicContact CD1-CD1 4.25Å; L749-L774 HydrophobicContact CD2-CD1 4.44Å; L749-F775 HydrophobicContact CB-CZ 4.37Å; L749-F775 HydrophobicContact CD2-CE2 4.2Å; L749-F775 HydrophobicContact CD2-CZ 4.42Å; L749-F775 WeakPolarHBondContact O-CE1 3.31Å; L749-F775 WeakPolarHBondContact O-CZ 3.28Å
750F93.6Very high86Confident1 Ų159.6 Ų59.60%0.00433%0.332CS..EExtended strand (participates in β ladder)trans-119153175.4-70-95000110.6V742 F743 P745 L759 Y760 P761 F775 V778 F796 F800 F899V742-F750 HydrophobicContact CG1-CD2 4.5Å; V742-F750 HydrophobicContact CG1-CE2 4.23Å; F743-F750 HydrophobicContact CD1-CB 4.49Å; F743-F750 AromaticContact CD1-CD1 3.99Å; F743-F750 HydrophobicContact CD1-CD1 3.99Å; F743-F750 AromaticContact CD1-CD2 3.55Å; F743-F750 HydrophobicContact CD1-CD2 3.55Å; F743-F750 HydrophobicContact CD1-CE1 4.12Å; F743-F750 AromaticContact CD1-CE2 3.68Å; F743-F750 HydrophobicContact CD1-CE2 3.68Å; F743-F750 AromaticContact CD1-CG 3.74Å; F743-F750 HydrophobicContact CD1-CG 3.74Å; F743-F750 AromaticContact CD1-CZ 3.98Å; F743-F750 HydrophobicContact CD1-CZ 3.98Å; F743-F750 HydrophobicContact CE1-CD1 4.05Å; F743-F750 AromaticContact CE1-CD2 3.85Å; F743-F750 HydrophobicContact CE1-CD2 3.85Å; F743-F750 AromaticContact CE1-CE1 3.69Å; F743-F750 HydrophobicContact CE1-CE1 3.69Å; F743-F750 AromaticContact CE1-CE2 3.46Å; F743-F750 HydrophobicContact CE1-CE2 3.46Å; F743-F750 VanDerWaalsContact CE1-CE2 3.46Å; F743-F750 HydrophobicContact CE1-CG 4.15Å; F743-F750 AromaticContact CE1-CZ 3.39Å; F743-F750 HydrophobicContact CE1-CZ 3.39Å; F743-F750 HydrophobicContact CZ-CE2 4.45Å; F743-F750 HydrophobicContact CZ-CZ 4.36Å; P745-F750 WeakPolarHBondContact CA-O 3.4Å; F750-L759 HydrophobicContact CB-CD2 4.07Å; F750-Y760 CarbonylContact C-O 3.53Å; F750-Y760 VanDerWaalsContact CA-O 3.28Å; F750-Y760 WeakPolarHBondContact CA-O 3.41Å; F750-Y760 WeakPolarHBondContact CD1-O 3.14Å; F750-P761 HydrophobicContact CE1-CG 4.2Å; F750-F775 HydrophobicContact CD2-CE1 4.3Å; F750-F775 HydrophobicContact CE1-CE1 4.16Å; F750-F775 HydrophobicContact CE2-CD1 4.03Å; F750-F775 AromaticContact CE2-CE1 3.73Å; F750-F775 HydrophobicContact CE2-CE1 3.73Å; F750-F775 AromaticContact CZ-CD1 3.8Å; F750-F775 HydrophobicContact CZ-CD1 3.8Å; F750-F775 AromaticContact CZ-CE1 3.63Å; F750-F775 HydrophobicContact CZ-CE1 3.63Å; F750-V778 HydrophobicContact CE2-CG1 4.29Å; F750-V778 HydrophobicContact CZ-CG1 4.48Å; F750-F796 HydrophobicContact CE1-CE1 4.49Å; F750-F800 HydrophobicContact CE1-CE1 4.31Å; F750-F800 HydrophobicContact CE1-CZ 4.28Å; F750-F899 HydrophobicContact CZ-CD2 4.19Å; F750-F899 HydrophobicContact CZ-CE2 4.23Å
751K91Very high86.5Confident104 Ų10454 Ų5445%0.45231%0.307SS..EExtended strand (participates in β ladder)trans-124.9154.2175.7-174.5169.1176.2-1780109.3L759 Y760K751-L759 WeakPolarHBondContact O-CA 3.42Å; K751-Y760 HydrophobicContact CB-CE1 4.14Å; K751-Y760 HydrophobicContact CB-CE2 4.31Å; K751-Y760 WeakPolarHBondContact CD-OH 3.44Å; K751-Y760 HydrophobicContact CG-CE1 4.23Å; K751-Y760 PolarHBondContact N-O 2.93Å; K751-Y760 VanDerWaalsContact O-CD1 3.25Å; K751-Y760 WeakPolarHBondContact O-CD1 3.38Å; K751-Y760 PolarHBondContact O-N 3.28Å
752T90.8Very high86.9Confident55 Ų5550.4 Ų50.434%0.33729%0.292SS..EExtended strand (participates in β ladder)trans-92.6145.6176.647.80000111.7P745 R758 L759 Y760P745-T752 HydrophobicContact CG-CG2 3.9Å; T752-R758 CarbonylContact C-O 3.39Å; T752-R758 VanDerWaalsContact CA-O 3.28Å; T752-R758 WeakPolarHBondContact CA-O 3.34Å; T752-L759 HydrophobicContact CG2-CD2 3.91Å; T752-Y760 WeakPolarHBondContact O-CE1 3.28Å
753T88Confident87Confident7 Ų751 Ų514%0.04330%0.296CS..  trans-72.3154.3172.4600000111.3G755 R758 Y760 A797 F799 S821 L822T753-G755 PolarHBondContact O-N 3.03Å; T753-R758 HydrophobicContact CG2-CB 4.31Å; T753-R758 WeakPolarHBondContact CG2-O 3.38Å; T753-R758 PolarHBondContact N-O 2.92Å; T753-R758 PolarHBondContact OG1-N 3.11Å; T753-Y760 HydrophobicContact CG2-CD1 3.74Å; T753-Y760 HydrophobicContact CG2-CE1 3.91Å; T753-A797 HydrophobicContact CG2-CB 3.87Å; T753-F799 HydrophobicContact CG2-CE1 4.27Å; T753-S821 WeakPolarHBondContact CG2-O 3.22Å; T753-L822 HydrophobicContact CG2-CD1 4.34Å
754S75.5Confident87.1Confident79 Ų7951.9 Ų51.955%0.55230%0.302SS*.THydrogen-bonded Turntrans-68.6112.2176.8-56.10000109.8L822S754-L822 PolarHBondContact N-O 3.36Å
755G66.2Low87.3Confident76 Ų7648 Ų4878%0.78428%0.282SS*.THydrogen-bonded Turntrans106.6-43.3171.800000116.4T753T753-G755 PolarHBondContact O-N 3.03Å
756N65.8Low87.4Confident118 Ų11850.9 Ų50.963%0.63129%0.286SS*.THydrogen-bonded Turntrans-110.27.3-172.2-73.9-23.1000114.7R758N756-R758 HydrophobicContact CB-CG 4.14Å; N756-R758 WeakPolarHBondContact O-CG 3.5Å; N756-R758 PolarHBondContact O-N 3.5Å
757E80.7Confident87.4Confident151 Ų15150.4 Ų50.471%0.70627%0.27SS*.  trans49.928.5178.9-59.2-171.5157.700114.8
758R88.9Confident87.2Confident106 Ų10651 Ų5140%0.427%0.271SS..  trans-83.3142.9-180-61.9-168.6179.3-169.75.7111.1T752 T753 N756 P795 F796 A797T752-R758 CarbonylContact C-O 3.39Å; T752-R758 VanDerWaalsContact CA-O 3.28Å; T752-R758 WeakPolarHBondContact CA-O 3.34Å; T753-R758 HydrophobicContact CG2-CB 4.31Å; T753-R758 WeakPolarHBondContact CG2-O 3.38Å; T753-R758 PolarHBondContact N-O 2.92Å; T753-R758 PolarHBondContact OG1-N 3.11Å; N756-R758 HydrophobicContact CB-CG 4.14Å; N756-R758 WeakPolarHBondContact O-CG 3.5Å; N756-R758 PolarHBondContact O-N 3.5Å; R758-P795 WeakPolarHBondContact CA-O 3.33Å; R758-F796 WeakPolarHBondContact CD-O 3.21Å; R758-A797 HydrophobicContact CB-CB 4.13Å
759L92.1Very high86.9Confident14 Ų1457.8 Ų57.87%0.07330%0.302CS..EExtended strand (participates in β ladder)trans-90.8137.8-171.8-66.9162.7000112.9F743 P745 F750 K751 T752 V794 P795 F796 A797F743-L759 HydrophobicContact CB-CD1 3.83Å; F743-L759 HydrophobicContact CD1-CD1 4.22Å; F743-L759 HydrophobicContact CG-CD1 4.24Å; P745-L759 HydrophobicContact CG-CD2 4.26Å; F750-L759 HydrophobicContact CB-CD2 4.07Å; K751-L759 WeakPolarHBondContact O-CA 3.42Å; T752-L759 HydrophobicContact CG2-CD2 3.91Å; L759-V794 HydrophobicContact CD1-CG1 3.73Å; L759-P795 PolarHBondContact N-O 3.46Å; L759-F796 HydrophobicContact CB-CD1 4.43Å; L759-A797 PolarHBondContact O-N 3.14Å
760Y93.8Very high86.7Confident13 Ų1361.9 Ų61.95%0.05132%0.324CS..EExtended strand (participates in β ladder)trans-143.5160.8169.467.3-82.4000110.3F750 K751 T752 T753 S762 F799 L822F750-Y760 CarbonylContact C-O 3.53Å; F750-Y760 VanDerWaalsContact CA-O 3.28Å; F750-Y760 WeakPolarHBondContact CA-O 3.41Å; F750-Y760 WeakPolarHBondContact CD1-O 3.14Å; K751-Y760 HydrophobicContact CB-CE1 4.14Å; K751-Y760 HydrophobicContact CB-CE2 4.31Å; K751-Y760 WeakPolarHBondContact CD-OH 3.44Å; K751-Y760 HydrophobicContact CG-CE1 4.23Å; K751-Y760 PolarHBondContact N-O 2.93Å; K751-Y760 VanDerWaalsContact O-CD1 3.25Å; K751-Y760 WeakPolarHBondContact O-CD1 3.38Å; K751-Y760 PolarHBondContact O-N 3.28Å; T752-Y760 WeakPolarHBondContact O-CE1 3.28Å; T753-Y760 HydrophobicContact CG2-CD1 3.74Å; T753-Y760 HydrophobicContact CG2-CE1 3.91Å; Y760-S762 PolarHBondContact O-N 3.32Å; Y760-F799 VanDerWaalsContact CB-CZ 3.5Å; Y760-F799 HydrophobicContact CD1-CZ 4.12Å; Y760-F799 AromaticContact CD2-CZ 3.89Å; Y760-F799 HydrophobicContact CD2-CZ 3.89Å; Y760-F799 HydrophobicContact CG-CE1 4.36Å; Y760-F799 HydrophobicContact CG-CE2 4.46Å; Y760-F799 AromaticContact CG-CZ 3.58Å; Y760-F799 HydrophobicContact CG-CZ 3.58Å; Y760-L822 HydrophobicContact CD1-CD1 4.27Å; Y760-L822 HydrophobicContact CE1-CD1 3.8Å; Y760-L822 HydrophobicContact CE2-CD1 4.09Å
761P95.3Very high86.7Confident0 Ų062.7 Ų62.70%033%0.327CS..EExtended strand (participates in β ladder)trans-58.2136.9180-25.734.9000112.4F750 P763 F775 F800 I892 Q895F750-P761 HydrophobicContact CE1-CG 4.2Å; P761-P763 WeakPolarHBondContact O-CD 3.48Å; P761-F775 HydrophobicContact CB-CE1 3.84Å; P761-F775 HydrophobicContact CB-CZ 3.99Å; P761-F775 HydrophobicContact CG-CE1 4.35Å; P761-F800 HydrophobicContact CG-CD2 3.68Å; P761-F800 HydrophobicContact CG-CE2 3.36Å; P761-F800 HydrophobicContact CG-CZ 3.97Å; P761-I892 HydrophobicContact CB-CB 4.29Å; P761-I892 HydrophobicContact CB-CG2 4.3Å; P761-I892 VanDerWaalsContact O-CG2 3.31Å; P761-I892 WeakPolarHBondContact O-CG2 3.41Å; P761-Q895 HydrophobicContact CB-CB 3.81Å; P761-Q895 HydrophobicContact CB-CG 4.46Å
762S93.1Very high86.9Confident1 Ų159.8 Ų59.81%0.00732%0.316CS..  trans-72.1125.8175.7-177.40000110.4N748 L749 Y760 T764 S765N748-S762 VanDerWaalsContact O-CB 3.31Å; N748-S762 WeakPolarHBondContact O-CB 3.25Å; N748-S762 WeakPolarHBondContact OD1-CB 3.28Å; N748-S762 PolarHBondContact OD1-OG 3.08Å; L749-S762 PolarHBondContact O-N 3.35Å; Y760-S762 PolarHBondContact O-N 3.32Å; S762-T764 PolarHBondContact O-N 3.29Å; S762-T764 PolarHBondContact OG-N 2.91Å; S762-T764 PolarHBondContact OG-OG1 2.74Å; S762-T764 VanDerWaalsContact OG-OG1 3.14Å; S762-S765 VanDerWaalsContact O-CB 3.27Å; S762-S765 WeakPolarHBondContact O-CB 3.45Å; S762-S765 PolarHBondContact O-N 3.01Å; S762-S765 VanDerWaalsContact O-N 3.14Å; S762-S765 PolarHBondContact O-OG 3.03Å
763P90.8Very high86.9Confident14 Ų1460 Ų609%0.09131%0.314CS..THydrogen-bonded Turntrans-58.9-30.1172.8-23.133.4000112.6P761 S765 Y766 Q891 I892P761-P763 WeakPolarHBondContact O-CD 3.48Å; P763-S765 VanDerWaalsContact C-N 3.33Å; P763-S765 PolarHBondContact O-N 3.33Å; P763-Y766 VanDerWaalsContact O-CD1 3.25Å; P763-Y766 WeakPolarHBondContact O-CD1 3.01Å; P763-Y766 WeakPolarHBondContact O-CE1 3.25Å; P763-Q891 HydrophobicContact CB-CB 4.39Å; P763-Q891 HydrophobicContact CB-CG 4.32Å; P763-Q891 HydrophobicContact CG-CG 4.06Å; P763-I892 HydrophobicContact CG-CG2 4.01Å
764T90.6Very high87.1Confident30 Ų3061.1 Ų61.118%0.18432%0.319CS..THydrogen-bonded Turntrans-9110.8-179.465.10000113.6N748 S762 Y766 I767 V853N748-T764 PolarHBondContact ND2-O 2.72Å; N748-T764 PolarHBondContact ND2-OG1 2.89Å; N748-T764 VanDerWaalsContact ND2-OG1 3.09Å; N748-T764 PolarHBondContact OD1-OG1 2.58Å; S762-T764 PolarHBondContact O-N 3.29Å; S762-T764 PolarHBondContact OG-N 2.91Å; S762-T764 PolarHBondContact OG-OG1 2.74Å; S762-T764 VanDerWaalsContact OG-OG1 3.14Å; T764-Y766 PolarHBondContact O-N 2.77Å; T764-I767 VanDerWaalsContact O-CD1 3.24Å; T764-I767 WeakPolarHBondContact O-CD1 3.48Å; T764-I767 VanDerWaalsContact O-CG1 3.23Å; T764-I767 WeakPolarHBondContact O-CG1 3.06Å; T764-I767 PolarHBondContact O-N 2.9Å; T764-I767 VanDerWaalsContact O-N 3.15Å; T764-V853 HydrophobicContact CG2-CG1 4.49Å
765S92.6Very high88Confident0 Ų057.3 Ų57.30%029%0.293CS..G310 helixtrans-59.9-20-179.1510000114.3S762 P763 I767 H768 H771 F775 Q895S762-S765 VanDerWaalsContact O-CB 3.27Å; S762-S765 WeakPolarHBondContact O-CB 3.45Å; S762-S765 PolarHBondContact O-N 3.01Å; S762-S765 VanDerWaalsContact O-N 3.14Å; S762-S765 PolarHBondContact O-OG 3.03Å; P763-S765 VanDerWaalsContact C-N 3.33Å; P763-S765 PolarHBondContact O-N 3.33Å; S765-I767 PolarHBondContact O-N 3.38Å; S765-H768 PolarHBondContact O-N 2.97Å; S765-H771 WeakPolarHBondContact O-CB 3.05Å; S765-H771 PolarHBondContact OG-ND1 2.89Å; S765-F775 WeakPolarHBondContact OG-CE2 3.43Å; S765-Q895 WeakPolarHBondContact OG-CG 3.16Å; S765-Q895 PolarHBondContact OG-NE2 3.34Å; S765-Q895 VanDerWaalsContact OG-NE2 3.12Å
766Y88.8Confident89.3Confident120 Ų12056.5 Ų56.547%0.47127%0.269SS..G310 helixtrans-60.5-11.9175.462.4-101.7000114.1P763 T764 H768 V853P763-Y766 VanDerWaalsContact O-CD1 3.25Å; P763-Y766 WeakPolarHBondContact O-CD1 3.01Å; P763-Y766 WeakPolarHBondContact O-CE1 3.25Å; T764-Y766 PolarHBondContact O-N 2.77Å; Y766-H768 PolarHBondContact O-N 3.46Å; Y766-V853 WeakPolarHBondContact OH-CG1 3.39Å
767I86.6Confident90.6Very high77 Ų7751.1 Ų51.140%0.39524%0.239SC..G310 helixtrans-56.1-27.7168.5-67.1160.6000111T764 S765 M854T764-I767 VanDerWaalsContact O-CD1 3.24Å; T764-I767 WeakPolarHBondContact O-CD1 3.48Å; T764-I767 VanDerWaalsContact O-CG1 3.23Å; T764-I767 WeakPolarHBondContact O-CG1 3.06Å; T764-I767 PolarHBondContact O-N 2.9Å; T764-I767 VanDerWaalsContact O-N 3.15Å; S765-I767 PolarHBondContact O-N 3.38Å; I767-M854 HydrophobicContact CD1-CE 3.3Å; I767-M854 HydrophobicContact CD1-SD 4.46Å; I767-M854 HydrophobicContact CG1-CE 4.07Å
768H85.4Confident91.1Very high62 Ų6244.1 Ų44.129%0.28721%0.207SC..SBendtrans-90.3123.6169.6-58.2-84.2000110.7L747 S765 Y766 N770 H771L747-H768 PolarHBondContact O-CE1 3.21Å; L747-H768 PolarHBondContact O-NE2 3.16Å; S765-H768 PolarHBondContact O-N 2.97Å; Y766-H768 PolarHBondContact O-N 3.46Å; H768-N770 PolarHBondContact O-N 3.03Å; H768-N770 VanDerWaalsContact O-N 3.09Å; H768-H771 HydrophobicContact CB-CB 4.05Å; H768-H771 WeakPolarHBondContact O-CB 3.47Å; H768-H771 PolarHBondContact O-CD2 3.46Å; H768-H771 PolarHBondContact O-N 3.13Å; H768-H771 VanDerWaalsContact O-N 3.11Å
769E84.5Confident91.3Very high185 Ų18539 Ų3986%0.86419%0.188SC*.THydrogen-bonded Turntrans-54.7-34.1-178.1-64.4-175.1166.800113.8
770N87.6Confident91.3Very high87 Ų8739.3 Ų39.347%0.46519%0.189SC..THydrogen-bonded Turntrans-108.224-177.4-67.5-53.1000113.7H768 L772 Q773 L774H768-N770 PolarHBondContact O-N 3.03Å; H768-N770 VanDerWaalsContact O-N 3.09Å; N770-L772 PolarHBondContact O-N 3.21Å; N770-Q773 VanDerWaalsContact C-OE1 3.22Å; N770-Q773 VanDerWaalsContact CA-OE1 3.29Å; N770-Q773 PolarHBondContact O-N 3.47Å; N770-Q773 PolarHBondContact O-OE1 3.48Å; N770-Q773 VanDerWaalsContact O-OE1 3.13Å; N770-L774 WeakPolarHBondContact O-CG 3.42Å; N770-L774 PolarHBondContact O-N 3.05Å
771H92.4Very high91.2Very high17 Ų1738.8 Ų38.88%0.07919%0.186CC..Hα-helixtrans-57.2-42.9-173.176121000113.6L749 S765 H768 Q773 L774 F775L749-H771 HydrophobicContact CD2-CB 4.13Å; S765-H771 WeakPolarHBondContact O-CB 3.05Å; S765-H771 PolarHBondContact OG-ND1 2.89Å; H768-H771 HydrophobicContact CB-CB 4.05Å; H768-H771 WeakPolarHBondContact O-CB 3.47Å; H768-H771 PolarHBondContact O-CD2 3.46Å; H768-H771 PolarHBondContact O-N 3.13Å; H768-H771 VanDerWaalsContact O-N 3.11Å; H771-Q773 PolarHBondContact O-N 3.35Å; H771-L774 WeakPolarHBondContact O-CB 3.36Å; H771-L774 PolarHBondContact O-N 3.01Å; H771-L774 VanDerWaalsContact O-N 3.16Å; H771-F775 HydrophobicContact CB-CE2 4.41Å; H771-F775 AromaticContact ND1-CE2 3.93Å; H771-F775 WeakPolarHBondContact O-CD2 3.46Å; H771-F775 PolarHBondContact O-N 3.37Å
772L94.7Very high91.1Very high43 Ų4338.9 Ų38.923%0.22519%0.187CC..Hα-helixtrans-62.4-43.1-179.3-62.4-176.5000111.8N770 L774 F775 E776 E894 A898N770-L772 PolarHBondContact O-N 3.21Å; L772-L774 VanDerWaalsContact C-N 3.29Å; L772-L774 PolarHBondContact O-N 2.87Å; L772-F775 PolarHBondContact O-N 3.39Å; L772-E776 PolarHBondContact O-N 3.07Å; L772-E894 HydrophobicContact CD1-CB 4.49Å; L772-E894 HydrophobicContact CD2-CB 3.77Å; L772-A898 HydrophobicContact CB-CB 4.25Å; L772-A898 HydrophobicContact CD2-CB 4.44Å; L772-A898 VanDerWaalsContact O-CB 3.26Å; L772-A898 WeakPolarHBondContact O-CB 3.41Å
773Q91.8Very high91.1Very high61 Ų6138.8 Ų38.829%0.28519%0.187SC..Hα-helixtrans-68.5-33.2178.5-59.383.2-9.400111Y695 N770 H771 E776 F777Y695-Q773 HydrophobicContact CE2-CB 4.21Å; Y695-Q773 WeakPolarHBondContact OH-CB 3.28Å; N770-Q773 VanDerWaalsContact C-OE1 3.22Å; N770-Q773 VanDerWaalsContact CA-OE1 3.29Å; N770-Q773 PolarHBondContact O-N 3.47Å; N770-Q773 PolarHBondContact O-OE1 3.48Å; N770-Q773 VanDerWaalsContact O-OE1 3.13Å; H771-Q773 PolarHBondContact O-N 3.35Å; Q773-E776 PolarHBondContact O-N 2.92Å; Q773-F777 WeakPolarHBondContact O-CB 3.25Å; Q773-F777 PolarHBondContact O-N 3.5Å
774L91.4Very high91.1Very high29 Ų2938.3 Ų38.315%0.15218%0.183CC..Hα-helixtrans-64.6-45.5171.6-71168.7000111.2Y695 L749 N770 H771 L772 E776 F777 V778Y695-L774 HydrophobicContact CD2-CD2 3.86Å; Y695-L774 HydrophobicContact CE2-CD2 4.01Å; Y695-L774 HydrophobicContact CG-CD2 4.4Å; L749-L774 HydrophobicContact CD1-CB 4.13Å; L749-L774 HydrophobicContact CD1-CD1 4.25Å; L749-L774 HydrophobicContact CD2-CD1 4.44Å; N770-L774 WeakPolarHBondContact O-CG 3.42Å; N770-L774 PolarHBondContact O-N 3.05Å; H771-L774 WeakPolarHBondContact O-CB 3.36Å; H771-L774 PolarHBondContact O-N 3.01Å; H771-L774 VanDerWaalsContact O-N 3.16Å; L772-L774 VanDerWaalsContact C-N 3.29Å; L772-L774 PolarHBondContact O-N 2.87Å; L774-E776 VanDerWaalsContact C-N 3.31Å; L774-E776 PolarHBondContact O-N 2.85Å; L774-F777 WeakPolarHBondContact O-CB 3.5Å; L774-F777 PolarHBondContact O-N 3.45Å; L774-F777 VanDerWaalsContact O-N 3.15Å; L774-V778 WeakPolarHBondContact O-CG2 3.42Å; L774-V778 PolarHBondContact O-N 3.47Å
775F94.9Very high91Very high0 Ų036.9 Ų36.90%017%0.174CC..Hα-helixtrans-58-42.6174-78.8-70.8000112.5L749 F750 P761 S765 H771 L772 F777 V778 G779 Q895 A898 F899L749-F775 HydrophobicContact CB-CZ 4.37Å; L749-F775 HydrophobicContact CD2-CE2 4.2Å; L749-F775 HydrophobicContact CD2-CZ 4.42Å; L749-F775 WeakPolarHBondContact O-CE1 3.31Å; L749-F775 WeakPolarHBondContact O-CZ 3.28Å; F750-F775 HydrophobicContact CD2-CE1 4.3Å; F750-F775 HydrophobicContact CE1-CE1 4.16Å; F750-F775 HydrophobicContact CE2-CD1 4.03Å; F750-F775 AromaticContact CE2-CE1 3.73Å; F750-F775 HydrophobicContact CE2-CE1 3.73Å; F750-F775 AromaticContact CZ-CD1 3.8Å; F750-F775 HydrophobicContact CZ-CD1 3.8Å; F750-F775 AromaticContact CZ-CE1 3.63Å; F750-F775 HydrophobicContact CZ-CE1 3.63Å; P761-F775 HydrophobicContact CB-CE1 3.84Å; P761-F775 HydrophobicContact CB-CZ 3.99Å; P761-F775 HydrophobicContact CG-CE1 4.35Å; S765-F775 WeakPolarHBondContact OG-CE2 3.43Å; H771-F775 HydrophobicContact CB-CE2 4.41Å; H771-F775 AromaticContact ND1-CE2 3.93Å; H771-F775 WeakPolarHBondContact O-CD2 3.46Å; H771-F775 PolarHBondContact O-N 3.37Å; L772-F775 PolarHBondContact O-N 3.39Å; F775-F777 VanDerWaalsContact C-N 3.35Å; F775-V778 PolarHBondContact O-N 2.89Å; F775-G779 PolarHBondContact O-N 3.23Å; F775-Q895 HydrophobicContact CD1-CB 4.42Å; F775-Q895 HydrophobicContact CD2-CB 3.76Å; F775-Q895 HydrophobicContact CD2-CG 3.88Å; F775-Q895 HydrophobicContact CE1-CB 4.2Å; F775-Q895 HydrophobicContact CE2-CB 3.55Å; F775-Q895 HydrophobicContact CE2-CG 3.31Å; F775-Q895 HydrophobicContact CG-CB 4.2Å; F775-Q895 HydrophobicContact CZ-CB 3.75Å; F775-Q895 HydrophobicContact CZ-CG 3.75Å; F775-A898 HydrophobicContact CB-CB 4.01Å; F775-F899 HydrophobicContact CB-CB 4.3Å; F775-F899 WeakPolarHBondContact O-CA 3.34Å
776E93.9Very high91Very high59 Ų5937 Ų3728%0.27618%0.175SC..Hα-helixtrans-63-41.2176.2-170.1174.2137.900112L772 Q773 L774 K780 A898 R901 G902L772-E776 PolarHBondContact O-N 3.07Å; Q773-E776 PolarHBondContact O-N 2.92Å; L774-E776 VanDerWaalsContact C-N 3.31Å; L774-E776 PolarHBondContact O-N 2.85Å; E776-K780 WeakPolarHBondContact O-CB 3.43Å; E776-K780 PolarHBondContact O-N 3.4Å; E776-A898 VanDerWaalsContact CA-O 3.24Å; E776-A898 WeakPolarHBondContact CA-O 3.44Å; E776-A898 HydrophobicContact CB-CB 4.44Å; E776-A898 WeakPolarHBondContact CB-O 3.17Å; E776-R901 HydrophobicContact CG-CB 4.36Å; E776-R901 IonicContact OE2-CZ 3.56Å; E776-R901 IonicContact OE2-NE 3.93Å; E776-R901 PolarHBondContact OE2-NE 2.89Å; E776-R901 VanDerWaalsContact OE2-NE 3.13Å; E776-R901 IonicContact OE2-NH2 2.99Å; E776-R901 PolarHBondContact OE2-NH2 2.95Å; E776-G902 WeakPolarHBondContact O-CA 3.3Å
777F91.8Very high91.1Very high4 Ų431.3 Ų31.32%0.01815%0.153CC..Hα-helixtrans-63-44.8174173.9-115.5000112.1L691 Y695 L698 I738 Q773 L774 F775 K780 M781L691-F777 HydrophobicContact CD1-CE1 4.16Å; Y695-F777 HydrophobicContact CD2-CB 3.72Å; Y695-F777 AromaticContact CD2-CD1 3.92Å; Y695-F777 HydrophobicContact CD2-CD1 3.92Å; Y695-F777 HydrophobicContact CD2-CD2 4.42Å; Y695-F777 AromaticContact CD2-CG 3.75Å; Y695-F777 HydrophobicContact CD2-CG 3.75Å; Y695-F777 HydrophobicContact CE2-CB 4.03Å; L698-F777 HydrophobicContact CB-CE2 3.81Å; L698-F777 HydrophobicContact CD1-CE2 4.16Å; L698-F777 HydrophobicContact CD1-CZ 4.35Å; I738-F777 HydrophobicContact CD1-CE1 4.33Å; I738-F777 HydrophobicContact CD1-CZ 4.19Å; I738-F777 HydrophobicContact CG2-CE1 4.16Å; Q773-F777 WeakPolarHBondContact O-CB 3.25Å; Q773-F777 PolarHBondContact O-N 3.5Å; L774-F777 WeakPolarHBondContact O-CB 3.5Å; L774-F777 PolarHBondContact O-N 3.45Å; L774-F777 VanDerWaalsContact O-N 3.15Å; F775-F777 VanDerWaalsContact C-N 3.35Å; F777-K780 WeakPolarHBondContact O-CB 3.19Å; F777-K780 PolarHBondContact O-N 2.78Å; F777-K780 VanDerWaalsContact O-N 3.16Å; F777-M781 HydrophobicContact CD2-CE 4.17Å; F777-M781 HydrophobicContact CD2-CG 4.21Å; F777-M781 HydrophobicContact CE1-CG 4.06Å; F777-M781 HydrophobicContact CE2-CE 3.61Å; F777-M781 HydrophobicContact CE2-CG 3.7Å; F777-M781 HydrophobicContact CE2-SD 3.75Å; F777-M781 HydrophobicContact CZ-CE 4.34Å; F777-M781 HydrophobicContact CZ-CG 3.63Å; F777-M781 HydrophobicContact CZ-SD 3.86Å; F777-M781 WeakPolarHBondContact O-CG 3.19Å; F777-M781 PolarHBondContact O-N 3.34Å
778V92.4Very high91.1Very high4 Ų429.9 Ų29.92%0.02414%0.144CC..Hα-helixtrans-64.2-44.7179.6177.10000111.3V742 F743 F750 L774 F775 K780 M781 L782 F899V742-V778 HydrophobicContact CB-CG2 3.97Å; V742-V778 HydrophobicContact CG1-CB 4.23Å; V742-V778 HydrophobicContact CG1-CG1 4.05Å; V742-V778 HydrophobicContact CG1-CG2 3.14Å; V742-V778 HydrophobicContact CG2-CG2 4.03Å; F743-V778 HydrophobicContact CE1-CG1 4.07Å; F743-V778 HydrophobicContact CE2-CG1 4.1Å; F743-V778 HydrophobicContact CZ-CG1 3.54Å; F750-V778 HydrophobicContact CE2-CG1 4.29Å; F750-V778 HydrophobicContact CZ-CG1 4.48Å; L774-V778 WeakPolarHBondContact O-CG2 3.42Å; L774-V778 PolarHBondContact O-N 3.47Å; F775-V778 PolarHBondContact O-N 2.89Å; V778-K780 VanDerWaalsContact C-N 3.26Å; V778-K780 PolarHBondContact O-N 2.88Å; V778-M781 PolarHBondContact O-N 2.86Å; V778-L782 PolarHBondContact O-N 2.87Å; V778-F899 HydrophobicContact CG1-CD2 4.38Å; V778-F899 HydrophobicContact CG1-CE2 3.99Å
779G93.5Very high91.1Very high0 Ų027.7 Ų27.70%014%0.138CC..Hα-helixtrans-57.5-42.3173.800000111.3F775 L782 G783 F903F775-G779 PolarHBondContact O-N 3.23Å; G779-L782 PolarHBondContact O-N 3.02Å; G779-G783 PolarHBondContact O-N 3.38Å; G779-F903 VanDerWaalsContact C-N 3.32Å; G779-F903 WeakPolarHBondContact O-CA 3.23Å; G779-F903 PolarHBondContact O-N 3.08Å
780K91.6Very high91.1Very high20 Ų2019.6 Ų19.69%0.08710%0.101CC..Hα-helixtrans-64-43.2176.8-169.8-178.8-64.2-173.70112.3I706 E776 F777 V778 G783 K784 G902 I906I706-K780 HydrophobicContact CD1-CD 3.29Å; I706-K780 HydrophobicContact CD1-CG 3.5Å; E776-K780 WeakPolarHBondContact O-CB 3.43Å; E776-K780 PolarHBondContact O-N 3.4Å; F777-K780 WeakPolarHBondContact O-CB 3.19Å; F777-K780 PolarHBondContact O-N 2.78Å; F777-K780 VanDerWaalsContact O-N 3.16Å; V778-K780 VanDerWaalsContact C-N 3.26Å; V778-K780 PolarHBondContact O-N 2.88Å; K780-G783 PolarHBondContact O-N 3.37Å; K780-K784 WeakPolarHBondContact O-CB 3.49Å; K780-K784 PolarHBondContact O-N 3.43Å; K780-G902 WeakPolarHBondContact CA-O 3.25Å; K780-I906 HydrophobicContact CG-CD1 4.05Å; K780-I906 HydrophobicContact CG-CG1 3.92Å
781M91.3Very high90.9Very high1 Ų116.5 Ų16.51%0.0059%0.085CC..Hα-helixtrans-64.4-44.5175.6-68.6-5796.600112.1L698 I706 L735 F777 V778 K784 A785L698-M781 HydrophobicContact CB-CE 4.35Å; L698-M781 HydrophobicContact CD1-CE 3.97Å; L698-M781 HydrophobicContact CD1-SD 3.79Å; I706-M781 HydrophobicContact CD1-CE 3.67Å; L735-M781 HydrophobicContact CD1-CB 3.88Å; L735-M781 HydrophobicContact CD1-CG 4.49Å; L735-M781 HydrophobicContact CD1-SD 4.27Å; F777-M781 HydrophobicContact CD2-CE 4.17Å; F777-M781 HydrophobicContact CD2-CG 4.21Å; F777-M781 HydrophobicContact CE1-CG 4.06Å; F777-M781 HydrophobicContact CE2-CE 3.61Å; F777-M781 HydrophobicContact CE2-CG 3.7Å; F777-M781 HydrophobicContact CE2-SD 3.75Å; F777-M781 HydrophobicContact CZ-CE 4.34Å; F777-M781 HydrophobicContact CZ-CG 3.63Å; F777-M781 HydrophobicContact CZ-SD 3.86Å; F777-M781 WeakPolarHBondContact O-CG 3.19Å; F777-M781 PolarHBondContact O-N 3.34Å; V778-M781 PolarHBondContact O-N 2.86Å; M781-K784 WeakPolarHBondContact O-CB 3.31Å; M781-K784 PolarHBondContact O-N 3.15Å; M781-A785 PolarHBondContact O-N 2.8Å
782L92.8Very high90.5Very high2 Ų216.1 Ų16.11%0.018%0.084CC..Hα-helixtrans-64.9-41.6176.5-171.169.6000111.6I739 V778 G779 K784 A785 V786 F796 F899 F903 I924I739-L782 HydrophobicContact CD1-CD1 4.49Å; V778-L782 PolarHBondContact O-N 2.87Å; G779-L782 PolarHBondContact O-N 3.02Å; L782-K784 VanDerWaalsContact C-N 3.28Å; L782-K784 PolarHBondContact O-N 3.08Å; L782-A785 WeakPolarHBondContact O-CB 3.37Å; L782-A785 PolarHBondContact O-N 3Å; L782-A785 VanDerWaalsContact O-N 3.16Å; L782-V786 WeakPolarHBondContact O-CG2 3.42Å; L782-V786 PolarHBondContact O-N 3.15Å; L782-F796 HydrophobicContact CD2-CE2 3.68Å; L782-F796 HydrophobicContact CD2-CZ 3.68Å; L782-F899 HydrophobicContact CD2-CZ 3.66Å; L782-F903 HydrophobicContact CB-CD2 4.39Å; L782-F903 HydrophobicContact CD2-CD2 4.39Å; L782-F903 HydrophobicContact CD2-CE2 4.37Å; L782-F903 HydrophobicContact CG-CD2 4.47Å; L782-F903 HydrophobicContact CG-CE2 4.34Å; L782-I924 HydrophobicContact CD1-CG2 3.91Å; L782-I924 HydrophobicContact CD2-CD1 4.3Å
783G93Very high89.9Confident0 Ų016.5 Ų16.50%09%0.086CC..Hα-helixtrans-58.8-40.7173.200000111.9G779 K780 V786 Y787 I907G779-G783 PolarHBondContact O-N 3.38Å; K780-G783 PolarHBondContact O-N 3.37Å; G783-V786 PolarHBondContact O-N 3.39Å; G783-Y787 VanDerWaalsContact O-CB 3.31Å; G783-Y787 WeakPolarHBondContact O-CB 3.2Å; G783-Y787 PolarHBondContact O-N 2.97Å; G783-I907 WeakPolarHBondContact O-CD1 3.41Å
784K90.9Very high89.6Confident3 Ų314 Ų141%0.0138%0.075CC..Hα-helixtrans-63.8-41.2173.6179.859.7173.7-174.50112.4I706 K707 G708 F731 K780 M781 L782 Y787 E788I706-K784 WeakPolarHBondContact O-CD 3.43Å; I706-K784 WeakPolarHBondContact O-CE 3.4Å; I706-K784 PolarHBondContact O-NZ 3.01Å; K707-K784 VanDerWaalsContact C-NZ 3.32Å; K707-K784 PolarHBondContact O-NZ 3.36Å; G708-K784 PolarHBondContact O-NZ 3.49Å; F731-K784 HydrophobicContact CE1-CG 4.16Å; F731-K784 HydrophobicContact CZ-CG 3.74Å; K780-K784 WeakPolarHBondContact O-CB 3.49Å; K780-K784 PolarHBondContact O-N 3.43Å; M781-K784 WeakPolarHBondContact O-CB 3.31Å; M781-K784 PolarHBondContact O-N 3.15Å; L782-K784 VanDerWaalsContact C-N 3.28Å; L782-K784 PolarHBondContact O-N 3.08Å; K784-Y787 PolarHBondContact O-N 3Å; K784-E788 HydrophobicContact CD-CG 4.04Å; K784-E788 WeakPolarHBondContact CE-OE1 3.46Å; K784-E788 IonicContact NZ-OE1 3.05Å; K784-E788 PolarHBondContact NZ-OE1 3.36Å; K784-E788 WeakPolarHBondContact O-CG 3.46Å; K784-E788 PolarHBondContact O-N 2.98Å
785A89.7Confident89.4Confident0 Ų015 Ų150%08%0.083CC..Hα-helixtrans-57.5-50.8174.100000111.3L735 M781 L782 Y787 E788 G789 I790 V792L735-A785 HydrophobicContact CD2-CB 3.77Å; M781-A785 PolarHBondContact O-N 2.8Å; L782-A785 WeakPolarHBondContact O-CB 3.37Å; L782-A785 PolarHBondContact O-N 3Å; L782-A785 VanDerWaalsContact O-N 3.16Å; A785-Y787 VanDerWaalsContact C-N 3.32Å; A785-Y787 PolarHBondContact O-N 3.37Å; A785-E788 PolarHBondContact O-N 2.84Å; A785-G789 PolarHBondContact O-N 2.96Å; A785-I790 HydrophobicContact CB-CB 4.44Å; A785-I790 PolarHBondContact O-N 2.96Å; A785-V792 HydrophobicContact CB-CG2 3.78Å
786V91.6Very high89.3Confident3 Ų315 Ų152%0.0188%0.083CC..Hα-helixtrans-61.4-40.6178.4175.30000111.3F657 R658 L782 G783 G789 F903 I907 L923 I924F657-V786 HydrophobicContact CE1-CG1 4.18Å; F657-V786 HydrophobicContact CZ-CG1 3.84Å; R658-V786 PolarHBondContact NH1-O 3.49Å; L782-V786 WeakPolarHBondContact O-CG2 3.42Å; L782-V786 PolarHBondContact O-N 3.15Å; G783-V786 PolarHBondContact O-N 3.39Å; V786-G789 PolarHBondContact O-N 2.83Å; V786-F903 HydrophobicContact CG2-CE2 4.38Å; V786-I907 HydrophobicContact CB-CD1 4.32Å; V786-I907 HydrophobicContact CB-CG1 4.48Å; V786-I907 HydrophobicContact CG1-CD1 4.1Å; V786-I907 HydrophobicContact CG1-CG1 4.42Å; V786-L923 HydrophobicContact CG1-CD2 4.02Å; V786-L923 HydrophobicContact CG1-CG 4.24Å; V786-I924 HydrophobicContact CG2-CG1 3.85Å
787Y91.2Very high89.1Confident1 Ų112.2 Ų12.20%0.0047%0.07CC..Hα-helixtrans-63.6-39.8177.9-169.8-106.8000113.1V661 E664 K665 K707 G783 K784 A785 G789 I906 I907 W911V661-Y787 HydrophobicContact CG1-CD2 3.78Å; V661-Y787 HydrophobicContact CG1-CE2 3.69Å; V661-Y787 HydrophobicContact CG1-CG 4.3Å; V661-Y787 WeakPolarHBondContact CG1-O 3.32Å; V661-Y787 HydrophobicContact CG2-CD2 4.29Å; V661-Y787 HydrophobicContact CG2-CE2 4.45Å; E664-Y787 WeakPolarHBondContact OE2-CE2 3.42Å; E664-Y787 VanDerWaalsContact OE2-CZ 3.31Å; E664-Y787 PolarHBondContact OE2-OH 3.24Å; K665-Y787 HydrophobicContact CD-CE1 4.17Å; K665-Y787 HydrophobicContact CG-CE1 3.9Å; K665-Y787 VanDerWaalsContact CG-OH 3.31Å; K665-Y787 WeakPolarHBondContact CG-OH 3.37Å; K707-Y787 HydrophobicContact CB-CE1 4.04Å; K707-Y787 HydrophobicContact CG-CE1 4.2Å; G783-Y787 VanDerWaalsContact O-CB 3.31Å; G783-Y787 WeakPolarHBondContact O-CB 3.2Å; G783-Y787 PolarHBondContact O-N 2.97Å; K784-Y787 PolarHBondContact O-N 3Å; A785-Y787 VanDerWaalsContact C-N 3.32Å; A785-Y787 PolarHBondContact O-N 3.37Å; Y787-G789 VanDerWaalsContact C-N 3.33Å; Y787-I906 HydrophobicContact CD2-CG2 4.26Å; Y787-I906 HydrophobicContact CG-CG2 3.97Å; Y787-I907 HydrophobicContact CD2-CD1 4.04Å; Y787-I907 HydrophobicContact CG-CD1 4.46Å; Y787-W911 HydrophobicContact CD2-CZ3 4.48Å; Y787-W911 HydrophobicContact CE2-CZ3 4.32Å
788E86.4Confident88.9Confident47 Ų4713 Ų1322%0.228%0.076CC..Hα-helixtrans-79.6-16.8176.2-64.5-52.2149.700113.6K665 K784 A785 I790K665-E788 VanDerWaalsContact NZ-CD 3.33Å; K665-E788 IonicContact NZ-OE1 2.65Å; K665-E788 PolarHBondContact NZ-OE1 3.31Å; K665-E788 IonicContact NZ-OE2 3.62Å; K665-E788 PolarHBondContact NZ-OE2 3.4Å; K784-E788 HydrophobicContact CD-CG 4.04Å; K784-E788 WeakPolarHBondContact CE-OE1 3.46Å; K784-E788 IonicContact NZ-OE1 3.05Å; K784-E788 PolarHBondContact NZ-OE1 3.36Å; K784-E788 WeakPolarHBondContact O-CG 3.46Å; K784-E788 PolarHBondContact O-N 2.98Å; A785-E788 PolarHBondContact O-N 2.84Å; E788-I790 HydrophobicContact CB-CD1 3.87Å; E788-I790 HydrophobicContact CB-CG1 3.9Å; E788-I790 HydrophobicContact CG-CD1 4.48Å
789G85.3Confident88.6Confident15 Ų1512.8 Ų12.816%0.1558%0.075CC..THydrogen-bonded Turntrans78.125.8-172.500000113.1R658 A785 V786 Y787R658-G789 VanDerWaalsContact CZ-CA 3.5Å; A785-G789 PolarHBondContact O-N 2.96Å; V786-G789 PolarHBondContact O-N 2.83Å; Y787-G789 VanDerWaalsContact C-N 3.33Å
790I85Confident88.6Confident16 Ų1612.8 Ų12.88%0.0828%0.075CC..  trans-83.6123.5171.8-60.5169.8000107.3F731 K732 L735 A785 E788F731-I790 HydrophobicContact CD1-CD1 4.49Å; F731-I790 HydrophobicContact CE1-CD1 4.38Å; K732-I790 HydrophobicContact CG-CG2 4.13Å; L735-I790 HydrophobicContact CD2-CD1 3.93Å; L735-I790 HydrophobicContact CD2-CG2 4.42Å; A785-I790 HydrophobicContact CB-CB 4.44Å; A785-I790 PolarHBondContact O-N 2.96Å; E788-I790 HydrophobicContact CB-CD1 3.87Å; E788-I790 HydrophobicContact CB-CG1 3.9Å; E788-I790 HydrophobicContact CG-CD1 4.48Å
791V83.4Confident88.5Confident22 Ų2212.1 Ų12.113%0.1337%0.072CC..  trans-87.5137.8-178.8-163.10000109.3I924 S925 G926V791-I924 CarbonylContact C-O 3.33Å; V791-I924 WeakPolarHBondContact CA-O 3.15Å; V791-I924 WeakPolarHBondContact CG1-O 3.11Å; V791-S925 VanDerWaalsContact CG1-O 3.29Å; V791-S925 WeakPolarHBondContact CG1-O 3.27Å; V791-G926 VanDerWaalsContact CG1-CA 3.5Å
792V84.3Confident88.3Confident8 Ų812.3 Ų12.35%0.0487%0.073CC..  trans-132.2123.3-173.6-168.20000110.8I739 A785 V794 I924 S925I739-V792 HydrophobicContact CB-CG1 4.32Å; I739-V792 HydrophobicContact CD1-CB 4.47Å; I739-V792 HydrophobicContact CD1-CG1 3.78Å; I739-V792 HydrophobicContact CD1-CG2 3.92Å; I739-V792 HydrophobicContact CG2-CG1 3.34Å; A785-V792 HydrophobicContact CB-CG2 3.78Å; V792-V794 VanDerWaalsContact C-N 3.28Å; V792-V794 HydrophobicContact CG1-CG2 3.67Å; V792-V794 PolarHBondContact O-N 3.38Å; V792-I924 PolarHBondContact N-O 2.89Å; V792-S925 WeakPolarHBondContact O-CA 3.36Å; V792-S925 VanDerWaalsContact O-CB 3.31Å; V792-S925 WeakPolarHBondContact O-CB 3.15Å; V792-S925 PolarHBondContact O-OG 3.45Å
793D82.3Confident88.2Confident52 Ų5212.2 Ų12.228%0.2787%0.073SC..  trans-75.769.8-178.5-165.617.3000111.8K974 S980D793-K974 IonicContact OD2-NZ 3.33Å; D793-K974 PolarHBondContact OD2-NZ 3.41Å; D793-S980 PolarHBondContact OD2-OG 2.87Å
794V85Confident87.9Confident9 Ų912.7 Ų12.76%0.0558%0.076CC..  trans-126.6110.1179-178.30000110.4I739 F743 L759 V792 F796 Q921 S925I739-V794 HydrophobicContact CG2-CG2 3.52Å; F743-V794 HydrophobicContact CB-CG1 4.48Å; F743-V794 HydrophobicContact CD1-CG1 4.14Å; F743-V794 HydrophobicContact CD2-CB 4.48Å; F743-V794 HydrophobicContact CD2-CG1 3.86Å; F743-V794 HydrophobicContact CD2-CG2 3.75Å; F743-V794 HydrophobicContact CE1-CG1 4.4Å; F743-V794 HydrophobicContact CE2-CG1 4.14Å; F743-V794 HydrophobicContact CE2-CG2 4.13Å; F743-V794 HydrophobicContact CG-CG1 3.89Å; F743-V794 HydrophobicContact CG-CG2 4.42Å; F743-V794 HydrophobicContact CZ-CG1 4.41Å; L759-V794 HydrophobicContact CD1-CG1 3.73Å; V792-V794 VanDerWaalsContact C-N 3.28Å; V792-V794 HydrophobicContact CG1-CG2 3.67Å; V792-V794 PolarHBondContact O-N 3.38Å; V794-F796 HydrophobicContact CB-CE2 4.19Å; V794-F796 HydrophobicContact CB-CZ 4.33Å; V794-F796 HydrophobicContact CG1-CD1 4.34Å; V794-F796 HydrophobicContact CG1-CD2 4.28Å; V794-F796 HydrophobicContact CG1-CE1 3.85Å; V794-F796 HydrophobicContact CG1-CE2 3.77Å; V794-F796 HydrophobicContact CG1-CZ 3.53Å; V794-F796 PolarHBondContact O-N 2.86Å; V794-Q921 PolarHBondContact O-NE2 3.27Å; V794-S925 PolarHBondContact O-OG 3.47Å
795P87.6Confident87.7Confident49 Ų4913 Ų1332%0.3188%0.078SC..  trans-84.1105.8179.331.9-32.3000110.9R758 L759R758-P795 WeakPolarHBondContact CA-O 3.33Å; L759-P795 PolarHBondContact N-O 3.46Å
796F91.4Very high87.3Confident1 Ų114.1 Ų14.10%0.0049%0.088CC..BIsolated β-bridgetrans-86.1150.7175.2-67.4-70.8000112.2F743 F750 R758 L759 L782 V794 F800 L801 I924F743-F796 HydrophobicContact CD1-CE1 4.14Å; F743-F796 AromaticContact CE1-CE1 3.43Å; F743-F796 HydrophobicContact CE1-CE1 3.43Å; F743-F796 VanDerWaalsContact CE1-CE1 3.43Å; F743-F796 AromaticContact CE1-CZ 3.68Å; F743-F796 HydrophobicContact CE1-CZ 3.68Å; F743-F796 HydrophobicContact CE2-CZ 4.23Å; F743-F796 AromaticContact CZ-CE1 3.81Å; F743-F796 HydrophobicContact CZ-CE1 3.81Å; F743-F796 AromaticContact CZ-CZ 3.52Å; F743-F796 HydrophobicContact CZ-CZ 3.52Å; F750-F796 HydrophobicContact CE1-CE1 4.49Å; R758-F796 WeakPolarHBondContact CD-O 3.21Å; L759-F796 HydrophobicContact CB-CD1 4.43Å; L782-F796 HydrophobicContact CD2-CE2 3.68Å; L782-F796 HydrophobicContact CD2-CZ 3.68Å; V794-F796 HydrophobicContact CB-CE2 4.19Å; V794-F796 HydrophobicContact CB-CZ 4.33Å; V794-F796 HydrophobicContact CG1-CD1 4.34Å; V794-F796 HydrophobicContact CG1-CD2 4.28Å; V794-F796 HydrophobicContact CG1-CE1 3.85Å; V794-F796 HydrophobicContact CG1-CE2 3.77Å; V794-F796 HydrophobicContact CG1-CZ 3.53Å; V794-F796 PolarHBondContact O-N 2.86Å; F796-F800 HydrophobicContact CB-CD1 4.28Å; F796-F800 AromaticContact CD1-CD1 3.68Å; F796-F800 HydrophobicContact CD1-CD1 3.68Å; F796-F800 AromaticContact CD1-CE1 3.61Å; F796-F800 HydrophobicContact CD1-CE1 3.61Å; F796-F800 HydrophobicContact CE1-CD1 4.38Å; F796-F800 AromaticContact CE1-CE1 3.84Å; F796-F800 HydrophobicContact CE1-CE1 3.84Å; F796-F800 HydrophobicContact CG-CD1 4.23Å; F796-F800 HydrophobicContact CG-CE1 4.37Å; F796-L801 HydrophobicContact CB-CD1 3.82Å; F796-L801 HydrophobicContact CB-CD2 3.9Å; F796-L801 HydrophobicContact CB-CG 3.56Å; F796-L801 HydrophobicContact CD2-CD2 3.88Å; F796-L801 HydrophobicContact CD2-CG 4.42Å; F796-L801 HydrophobicContact CG-CD2 4Å; F796-L801 HydrophobicContact CG-CG 4.22Å; F796-I924 HydrophobicContact CD2-CD1 4.29Å; F796-I924 HydrophobicContact CE2-CD1 4.22Å; F796-I924 HydrophobicContact CE2-CG2 4.33Å
797A90.3Very high86.5Confident0 Ų016.1 Ų16.10%010%0.098CC..  trans-67.1140.6169.400000110.4T753 R758 L759 F799 F800 L801T753-A797 HydrophobicContact CG2-CB 3.87Å; R758-A797 HydrophobicContact CB-CB 4.13Å; L759-A797 PolarHBondContact O-N 3.14Å; A797-F799 HydrophobicContact CB-CD1 3.67Å; A797-F799 HydrophobicContact CB-CE1 3.33Å; A797-F799 HydrophobicContact CB-CZ 4.07Å; A797-F799 PolarHBondContact O-N 2.84Å; A797-F800 HydrophobicContact CB-CB 4.47Å; A797-F800 PolarHBondContact O-N 2.89Å; A797-F800 VanDerWaalsContact O-N 3.17Å; A797-L801 PolarHBondContact O-N 2.93Å; A797-L801 VanDerWaalsContact O-N 3.14Å
798S87.1Confident85.2Confident20 Ų2018 Ų1814%0.1411%0.106CC..Hα-helixtrans-55.8-51-176.3177.80000111.3F800 L801 S802 E818 T917S798-F800 PolarHBondContact O-N 3.37Å; S798-L801 PolarHBondContact O-N 3.25Å; S798-L801 VanDerWaalsContact O-N 3.12Å; S798-S802 PolarHBondContact O-N 3.46Å; S798-S802 PolarHBondContact O-OG 2.83Å; S798-E818 WeakPolarHBondContact CB-OE2 3.08Å; S798-E818 PolarHBondContact OG-OE2 3.27Å; S798-T917 WeakPolarHBondContact O-CG2 3.46Å
799F87.8Confident83.9Confident0 Ų022.9 Ų22.90%013%0.129CC..Hα-helixtrans-59.5-32.8-179.574.4-90.7000114.3T753 Y760 A797 Q803 E818 L822 M888 I892T753-F799 HydrophobicContact CG2-CE1 4.27Å; Y760-F799 VanDerWaalsContact CB-CZ 3.5Å; Y760-F799 HydrophobicContact CD1-CZ 4.12Å; Y760-F799 AromaticContact CD2-CZ 3.89Å; Y760-F799 HydrophobicContact CD2-CZ 3.89Å; Y760-F799 HydrophobicContact CG-CE1 4.36Å; Y760-F799 HydrophobicContact CG-CE2 4.46Å; Y760-F799 AromaticContact CG-CZ 3.58Å; Y760-F799 HydrophobicContact CG-CZ 3.58Å; A797-F799 HydrophobicContact CB-CD1 3.67Å; A797-F799 HydrophobicContact CB-CE1 3.33Å; A797-F799 HydrophobicContact CB-CZ 4.07Å; A797-F799 PolarHBondContact O-N 2.84Å; F799-Q803 WeakPolarHBondContact O-CG 3.48Å; F799-Q803 PolarHBondContact O-N 3.14Å; F799-Q803 PolarHBondContact O-NE2 3Å; F799-E818 HydrophobicContact CB-CB 4.19Å; F799-E818 PolarHBondContact N-OE2 2.76Å; F799-L822 HydrophobicContact CD1-CB 4.14Å; F799-L822 HydrophobicContact CE1-CB 3.79Å; F799-L822 HydrophobicContact CE1-CD1 3.77Å; F799-L822 HydrophobicContact CE1-CG 4.31Å; F799-L822 HydrophobicContact CZ-CB 4.39Å; F799-L822 HydrophobicContact CZ-CD1 3.72Å; F799-L822 HydrophobicContact CZ-CG 4.48Å; F799-M888 HydrophobicContact CB-CE 3.18Å; F799-M888 HydrophobicContact CB-SD 4.38Å; F799-M888 HydrophobicContact CD1-CE 3.72Å; F799-M888 HydrophobicContact CD1-SD 4.19Å; F799-M888 HydrophobicContact CD2-CE 3.93Å; F799-M888 HydrophobicContact CD2-SD 4.05Å; F799-M888 HydrophobicContact CE2-SD 4.41Å; F799-M888 HydrophobicContact CG-CE 3.34Å; F799-M888 HydrophobicContact CG-SD 3.95Å; F799-I892 HydrophobicContact CE2-CD1 3.95Å
800F91.8Very high83Confident0 Ų023.8 Ų23.80%013%0.133CC..Hα-helixtrans-71.1-45.8176.5171.2-116.4000110.7F750 P761 F796 A797 S798 S802 Q803 V804 T896 F899F750-F800 HydrophobicContact CE1-CE1 4.31Å; F750-F800 HydrophobicContact CE1-CZ 4.28Å; P761-F800 HydrophobicContact CG-CD2 3.68Å; P761-F800 HydrophobicContact CG-CE2 3.36Å; P761-F800 HydrophobicContact CG-CZ 3.97Å; F796-F800 HydrophobicContact CB-CD1 4.28Å; F796-F800 AromaticContact CD1-CD1 3.68Å; F796-F800 HydrophobicContact CD1-CD1 3.68Å; F796-F800 AromaticContact CD1-CE1 3.61Å; F796-F800 HydrophobicContact CD1-CE1 3.61Å; F796-F800 HydrophobicContact CE1-CD1 4.38Å; F796-F800 AromaticContact CE1-CE1 3.84Å; F796-F800 HydrophobicContact CE1-CE1 3.84Å; F796-F800 HydrophobicContact CG-CD1 4.23Å; F796-F800 HydrophobicContact CG-CE1 4.37Å; A797-F800 HydrophobicContact CB-CB 4.47Å; A797-F800 PolarHBondContact O-N 2.89Å; A797-F800 VanDerWaalsContact O-N 3.17Å; S798-F800 PolarHBondContact O-N 3.37Å; F800-S802 VanDerWaalsContact C-N 3.34Å; F800-S802 PolarHBondContact O-N 2.67Å; F800-Q803 WeakPolarHBondContact O-CA 3.28Å; F800-Q803 WeakPolarHBondContact O-CB 3.34Å; F800-Q803 PolarHBondContact O-N 2.91Å; F800-V804 HydrophobicContact CD2-CG2 4.5Å; F800-V804 HydrophobicContact CE1-CG2 4.23Å; F800-V804 HydrophobicContact CE2-CG2 4.06Å; F800-V804 HydrophobicContact CZ-CG2 3.92Å; F800-V804 WeakPolarHBondContact O-CG2 3.47Å; F800-V804 PolarHBondContact O-N 2.7Å; F800-T896 HydrophobicContact CD2-CG2 4.32Å; F800-T896 HydrophobicContact CE2-CG2 4.09Å; F800-F899 HydrophobicContact CE1-CE1 4.28Å; F800-F899 HydrophobicContact CE1-CZ 4.31Å; F800-F899 HydrophobicContact CE2-CD1 4.46Å; F800-F899 AromaticContact CZ-CD1 3.75Å; F800-F899 HydrophobicContact CZ-CD1 3.75Å; F800-F899 HydrophobicContact CZ-CD2 4.3Å; F800-F899 AromaticContact CZ-CE1 3.84Å; F800-F899 HydrophobicContact CZ-CE1 3.84Å; F800-F899 HydrophobicContact CZ-CE2 4.34Å; F800-F899 AromaticContact CZ-CG 3.98Å; F800-F899 HydrophobicContact CZ-CG 3.98Å; F800-F899 HydrophobicContact CZ-CZ 4.11Å
801L89.8Confident81.7Confident6 Ų628.2 Ų28.23%0.03116%0.161CC..Hα-helixtrans-62.7-39.8175.2-75.5-177.8000112.5F796 A797 S798 Q803 V804 L805 T917 Q921 I924F796-L801 HydrophobicContact CB-CD1 3.82Å; F796-L801 HydrophobicContact CB-CD2 3.9Å; F796-L801 HydrophobicContact CB-CG 3.56Å; F796-L801 HydrophobicContact CD2-CD2 3.88Å; F796-L801 HydrophobicContact CD2-CG 4.42Å; F796-L801 HydrophobicContact CG-CD2 4Å; F796-L801 HydrophobicContact CG-CG 4.22Å; A797-L801 PolarHBondContact O-N 2.93Å; A797-L801 VanDerWaalsContact O-N 3.14Å; S798-L801 PolarHBondContact O-N 3.25Å; S798-L801 VanDerWaalsContact O-N 3.12Å; L801-Q803 PolarHBondContact O-N 3.17Å; L801-V804 WeakPolarHBondContact O-CB 3.44Å; L801-V804 PolarHBondContact O-N 3.47Å; L801-L805 WeakPolarHBondContact O-CG 3.46Å; L801-L805 PolarHBondContact O-N 2.93Å; L801-T917 HydrophobicContact CB-CG2 3.53Å; L801-T917 HydrophobicContact CD1-CG2 4.42Å; L801-Q921 HydrophobicContact CD1-CB 3.74Å; L801-Q921 HydrophobicContact CD1-CG 4.43Å; L801-I924 HydrophobicContact CD2-CD1 4.17Å
802S88.2Confident80.8Confident4 Ų429.1 Ų29.13%0.02816%0.163CC..Hα-helixtrans-58.2-34.7173.1-64.20000111.7S798 F800 G806 H807 T917S798-S802 PolarHBondContact O-N 3.46Å; S798-S802 PolarHBondContact O-OG 2.83Å; F800-S802 VanDerWaalsContact C-N 3.34Å; F800-S802 PolarHBondContact O-N 2.67Å; S802-G806 PolarHBondContact O-N 3.42Å; S802-H807 WeakPolarHBondContact O-CB 3.3Å; S802-H807 PolarHBondContact O-N 3.25Å; S802-T917 WeakPolarHBondContact OG-CG2 3.4Å; S802-T917 PolarHBondContact OG-OG1 2.8Å
803Q89.4Confident80.3Confident1 Ų130.6 Ų30.61%0.00517%0.168CC..Hα-helixtrans-68.8-42.7172.5-74.9176.968.200112.8F799 F800 L801 L805 G806 H808 M888 H889 T896 I900F799-Q803 WeakPolarHBondContact O-CG 3.48Å; F799-Q803 PolarHBondContact O-N 3.14Å; F799-Q803 PolarHBondContact O-NE2 3Å; F800-Q803 WeakPolarHBondContact O-CA 3.28Å; F800-Q803 WeakPolarHBondContact O-CB 3.34Å; F800-Q803 PolarHBondContact O-N 2.91Å; L801-Q803 PolarHBondContact O-N 3.17Å; Q803-L805 VanDerWaalsContact C-N 3.27Å; Q803-L805 PolarHBondContact O-N 2.69Å; Q803-G806 PolarHBondContact O-N 2.67Å; Q803-H808 WeakPolarHBondContact CA-ND1 3.38Å; Q803-H808 HydrophobicContact CG-CB 3.69Å; Q803-H808 PolarHBondContact O-CE1 3.49Å; Q803-H808 VanDerWaalsContact O-CE1 3.31Å; Q803-H808 PolarHBondContact O-ND1 3.03Å; Q803-M888 PolarHBondContact NE2-O 3.01Å; Q803-H889 PolarHBondContact OE1-ND1 3.09Å; Q803-T896 HydrophobicContact CB-CG2 3.88Å; Q803-I900 WeakPolarHBondContact O-CD1 3.39Å
804V88.6Confident80Confident9 Ų929 Ų296%0.05516%0.161CC..Hα-helixtrans-58-41.4177.6175.30000111.8F800 L801 G806 F899 I900 F903 R904F800-V804 HydrophobicContact CD2-CG2 4.5Å; F800-V804 HydrophobicContact CE1-CG2 4.23Å; F800-V804 HydrophobicContact CE2-CG2 4.06Å; F800-V804 HydrophobicContact CZ-CG2 3.92Å; F800-V804 WeakPolarHBondContact O-CG2 3.47Å; F800-V804 PolarHBondContact O-N 2.7Å; L801-V804 WeakPolarHBondContact O-CB 3.44Å; L801-V804 PolarHBondContact O-N 3.47Å; V804-G806 PolarHBondContact O-N 3.1Å; V804-F899 HydrophobicContact CG1-CE1 4.37Å; V804-F899 HydrophobicContact CG2-CD1 3.89Å; V804-F899 HydrophobicContact CG2-CE1 3.78Å; V804-I900 HydrophobicContact CB-CG1 4.44Å; V804-I900 HydrophobicContact CG2-CG1 4.27Å; V804-F903 HydrophobicContact CG1-CD1 4.22Å; V804-F903 HydrophobicContact CG1-CG 4.46Å; V804-R904 PolarHBondContact O-NH2 3.31Å
805L86Confident79.8Confident11 Ų1129.4 Ų29.46%0.05816%0.164CC..THydrogen-bonded Turntrans-71.7-10.1176.9-62.6172.6000113.9L801 Q803 H807 L912 V920L801-L805 WeakPolarHBondContact O-CG 3.46Å; L801-L805 PolarHBondContact O-N 2.93Å; Q803-L805 VanDerWaalsContact C-N 3.27Å; Q803-L805 PolarHBondContact O-N 2.69Å; L805-H807 VanDerWaalsContact C-N 3.27Å; L805-H807 WeakPolarHBondContact CB-CD2 3.32Å; L805-L912 HydrophobicContact CD2-CB 3.76Å; L805-L912 HydrophobicContact CD2-CD1 3.88Å; L805-L912 HydrophobicContact CD2-CG 4.43Å; L805-V920 HydrophobicContact CD1-CB 4.3Å; L805-V920 HydrophobicContact CD1-CG2 3.88Å; L805-V920 HydrophobicContact CD2-CB 4.4Å; L805-V920 HydrophobicContact CD2-CG1 4.27Å; L805-V920 HydrophobicContact CD2-CG2 3.72Å; L805-V920 HydrophobicContact CG-CG2 4.39Å
806G80.1Confident79.5Confident22 Ų2227.9 Ų27.923%0.22715%0.153CC..THydrogen-bonded Turntrans80.45-17600000114.1S802 Q803 V804 H808 H809S802-G806 PolarHBondContact O-N 3.42Å; Q803-G806 PolarHBondContact O-N 2.67Å; V804-G806 PolarHBondContact O-N 3.1Å; G806-H808 PolarHBondContact O-N 3.23Å; G806-H809 PolarHBondContact O-N 2.98Å
807H75.2Confident78.9Confident46 Ų4628.8 Ų28.821%0.21316%0.158CC..G310 helixtrans-67.7-18.9179.4-64.1-48000113.5S802 L805 H809 S810 Y813S802-H807 WeakPolarHBondContact O-CB 3.3Å; S802-H807 PolarHBondContact O-N 3.25Å; L805-H807 VanDerWaalsContact C-N 3.27Å; L805-H807 WeakPolarHBondContact CB-CD2 3.32Å; H807-H809 PolarHBondContact O-N 2.82Å; H807-H809 VanDerWaalsContact O-N 3.16Å; H807-S810 WeakPolarHBondContact O-CA 3.37Å; H807-S810 WeakPolarHBondContact O-CB 3.44Å; H807-S810 PolarHBondContact O-N 3.3Å; H807-Y813 VanDerWaalsContact O-CB 3.23Å; H807-Y813 WeakPolarHBondContact O-CB 3.48Å
808H63.9Low78.5Confident39 Ų3929.8 Ų29.818%0.18116%0.163CC..G310 helixtrans-61.6-20.8175.365.2-72.2000115.2Q803 G806 Y813 H889Q803-H808 WeakPolarHBondContact CA-ND1 3.38Å; Q803-H808 HydrophobicContact CG-CB 3.69Å; Q803-H808 PolarHBondContact O-CE1 3.49Å; Q803-H808 VanDerWaalsContact O-CE1 3.31Å; Q803-H808 PolarHBondContact O-ND1 3.03Å; G806-H808 PolarHBondContact O-N 3.23Å; H808-Y813 HydrophobicContact CB-CD1 4.36Å; H808-Y813 HydrophobicContact CB-CE1 4.38Å; H808-H889 AromaticContact CD2-CE1 3.65Å; H808-H889 AromaticContact CD2-ND1 3.88Å; H808-H889 AromaticContact NE2-CE1 3.81Å
809H60.3Low78.5Confident151 Ų15128.9 Ų28.970%0.69916%0.156SC*.G310 helixtrans-93.5-2170.8-64.595.2000112.5G806 H807G806-H809 PolarHBondContact O-N 2.98Å; H807-H809 PolarHBondContact O-N 2.82Å; H807-H809 VanDerWaalsContact O-N 3.16Å
810S66.4Low78.3Confident33 Ų3331 Ų3123%0.23117%0.17CC..SBendtrans-64.3137.4175.2-174.50000109H807 F812 Y813H807-S810 WeakPolarHBondContact O-CA 3.37Å; H807-S810 WeakPolarHBondContact O-CB 3.44Å; H807-S810 PolarHBondContact O-N 3.3Å; S810-F812 PolarHBondContact O-N 3.27Å; S810-F812 WeakPolarHBondContact OG-CD2 3.32Å; S810-F812 PolarHBondContact OG-N 3.16Å; S810-Y813 PolarHBondContact O-N 3.4Å; S810-Y813 VanDerWaalsContact O-N 3.09Å
811T57.7Low77.9Confident110 Ų11032.8 Ų32.868%0.67518%0.182SC*.THydrogen-bonded Turntrans-57-15.6170.3-45.50000112.5
812F64.5Low77.8Confident41 Ų4132.8 Ų32.818%0.1818%0.182CC..THydrogen-bonded Turntrans-95-10.5-177.3-46.4-50.1000113.5G596 M599 V600 E603 S810G596-F812 VanDerWaalsContact CA-CE1 3.47Å; G596-F812 WeakPolarHBondContact O-CE1 3.41Å; M599-F812 HydrophobicContact CB-CD2 3.82Å; M599-F812 HydrophobicContact CB-CE2 3.78Å; M599-F812 HydrophobicContact CB-CG 4.29Å; M599-F812 HydrophobicContact CB-CZ 4.19Å; M599-F812 HydrophobicContact CG-CE2 4.23Å; V600-F812 HydrophobicContact CG2-CB 4.14Å; V600-F812 HydrophobicContact CG2-CD1 3.49Å; V600-F812 VanDerWaalsContact CG2-CD1 3.49Å; V600-F812 HydrophobicContact CG2-CE1 4.31Å; V600-F812 HydrophobicContact CG2-CG 4.13Å; E603-F812 WeakPolarHBondContact OE2-CB 3.38Å; S810-F812 PolarHBondContact O-N 3.27Å; S810-F812 WeakPolarHBondContact OG-CD2 3.32Å; S810-F812 PolarHBondContact OG-N 3.16Å
813Y73.2Confident77.7Confident39 Ų3934 Ų3415%0.15319%0.189CC..  trans-82.6122.9-177.2-176.7-96.4000112.4H807 H808 S810 E818H807-Y813 VanDerWaalsContact O-CB 3.23Å; H807-Y813 WeakPolarHBondContact O-CB 3.48Å; H808-Y813 HydrophobicContact CB-CD1 4.36Å; H808-Y813 HydrophobicContact CB-CE1 4.38Å; S810-Y813 PolarHBondContact O-N 3.4Å; S810-Y813 VanDerWaalsContact O-N 3.09Å; Y813-E818 HydrophobicContact CE2-CG 3.7Å
814S75.5Confident77.5Confident18 Ų1836.8 Ų36.813%0.12621%0.208CC..  trans-110.1115.91751730000110.4I816 D817 E818S814-I816 PolarHBondContact O-N 3.07Å; S814-I816 WeakPolarHBondContact OG-CG2 3.45Å; S814-D817 WeakPolarHBondContact CB-OD2 3.49Å; S814-D817 PolarHBondContact O-N 3.27Å; S814-D817 PolarHBondContact OG-N 3.12Å; S814-D817 PolarHBondContact OG-OD1 3.45Å; S814-E818 PolarHBondContact O-N 2.92Å
815S80.2Confident77.4Confident17 Ų1742.9 Ų42.912%0.11924%0.236CC..Hα-helixtrans-64.6-27.6176.8-61.80000112.4L819S815-L819 PolarHBondContact O-N 2.99Å
816I81.4Confident77.4Confident18 Ų1844.1 Ų44.19%0.09224%0.241CC..Hα-helixtrans-75.1-36.5178.5-174.964.2000111.3S814 E818 L819 P820 Y827 I880S814-I816 PolarHBondContact O-N 3.07Å; S814-I816 WeakPolarHBondContact OG-CG2 3.45Å; I816-E818 VanDerWaalsContact C-N 3.32Å; I816-E818 PolarHBondContact O-N 3.47Å; I816-L819 HydrophobicContact CD1-CD2 4.02Å; I816-L819 WeakPolarHBondContact O-CB 3.3Å; I816-L819 PolarHBondContact O-N 2.93Å; I816-P820 WeakPolarHBondContact O-CD 3.29Å; I816-Y827 HydrophobicContact CD1-CD2 3.92Å; I816-Y827 HydrophobicContact CD1-CE2 3.99Å; I816-Y827 HydrophobicContact CG1-CE2 4.17Å; I816-I880 HydrophobicContact CD1-CG2 3.88Å; I816-I880 HydrophobicContact CG1-CG2 4.47Å
817D79.7Confident77.7Confident19 Ų1944 Ų4410%0.10223%0.234CC..Hα-helixtrans-68.5-31.2179.1-65.915.2000112.5R604 R607 S814 P820R604-D817 IonicContact CZ-OD2 2.71Å; R604-D817 IonicContact NE-OD2 3.58Å; R604-D817 IonicContact NH2-OD1 2.67Å; R604-D817 IonicContact NH2-OD2 3.61Å; R604-D817 PolarHBondContact NH2-OD2 2.95Å; R607-D817 PolarHBondContact NH1-O 3.34Å; R607-D817 IonicContact NH2-OD2 2.85Å; S814-D817 WeakPolarHBondContact CB-OD2 3.49Å; S814-D817 PolarHBondContact O-N 3.27Å; S814-D817 PolarHBondContact OG-N 3.12Å; S814-D817 PolarHBondContact OG-OD1 3.45Å; D817-P820 WeakPolarHBondContact O-CD 3.2Å
818E82.3Confident78.2Confident22 Ų2248.5 Ų48.510%0.10325%0.253CS..Hα-helixtrans-87.6-16.5178-71.2-74.2148.100112.9R607 S798 F799 Y813 S814 I816 S821 M888R607-E818 WeakPolarHBondContact CD-OE1 3.22Å; S798-E818 WeakPolarHBondContact CB-OE2 3.08Å; S798-E818 PolarHBondContact OG-OE2 3.27Å; F799-E818 HydrophobicContact CB-CB 4.19Å; F799-E818 PolarHBondContact N-OE2 2.76Å; Y813-E818 HydrophobicContact CE2-CG 3.7Å; S814-E818 PolarHBondContact O-N 2.92Å; I816-E818 VanDerWaalsContact C-N 3.32Å; I816-E818 PolarHBondContact O-N 3.47Å; E818-S821 VanDerWaalsContact O-CB 3.28Å; E818-S821 WeakPolarHBondContact O-CB 3.38Å; E818-S821 PolarHBondContact O-N 2.96Å; E818-S821 PolarHBondContact O-OG 2.76Å; E818-M888 VanDerWaalsContact C-CE 3.43Å; E818-M888 HydrophobicContact CB-CE 3.53Å; E818-M888 VanDerWaalsContact O-CE 3.29Å; E818-M888 WeakPolarHBondContact O-CE 3.41Å
819L86.5Confident79.4Confident0 Ų050.7 Ų50.70%027%0.266CS..Hα-helixtrans-56.2-39-175.9-169.764.5000113.8S815 I816 S821 L822 D823 F826 Y827 L830 A884 M888S815-L819 PolarHBondContact O-N 2.99Å; I816-L819 HydrophobicContact CD1-CD2 4.02Å; I816-L819 WeakPolarHBondContact O-CB 3.3Å; I816-L819 PolarHBondContact O-N 2.93Å; L819-S821 PolarHBondContact O-N 3.16Å; L819-S821 VanDerWaalsContact O-N 3.1Å; L819-L822 HydrophobicContact CD1-CD2 4.38Å; L819-L822 PolarHBondContact O-N 3.47Å; L819-D823 PolarHBondContact O-N 3.09Å; L819-F826 HydrophobicContact CD1-CD1 4.06Å; L819-F826 HydrophobicContact CD1-CE1 4.48Å; L819-F826 HydrophobicContact CD2-CD1 3.9Å; L819-F826 HydrophobicContact CD2-CE1 4.28Å; L819-F826 HydrophobicContact CG-CD1 4.3Å; L819-Y827 HydrophobicContact CB-CD2 4.3Å; L819-Y827 HydrophobicContact CD2-CD2 4.35Å; L819-L830 HydrophobicContact CD2-CD1 3.67Å; L819-A884 HydrophobicContact CD2-CB 4.23Å; L819-M888 HydrophobicContact CD1-CG 3.98Å; L819-M888 HydrophobicContact CD1-SD 3.95Å
820P84.4Confident80.7Confident44 Ų4443.7 Ų43.729%0.28623%0.233SC..Hα-helixtrans-56.8-26.4174-24.232.8000114I816 D817 Y827I816-P820 WeakPolarHBondContact O-CD 3.29Å; D817-P820 WeakPolarHBondContact O-CD 3.2Å; P820-Y827 HydrophobicContact CG-CD1 3.9Å; P820-Y827 HydrophobicContact CG-CD2 3.76Å; P820-Y827 HydrophobicContact CG-CE1 4.19Å; P820-Y827 HydrophobicContact CG-CE2 4.07Å; P820-Y827 HydrophobicContact CG-CG 3.67Å
821S82.9Confident81.5Confident38 Ų3842.8 Ų42.827%0.26623%0.226SC..Hα-helixtrans-76.1-23.1178.380.10000113.5T753 E818 L819T753-S821 WeakPolarHBondContact CG2-O 3.22Å; E818-S821 VanDerWaalsContact O-CB 3.28Å; E818-S821 WeakPolarHBondContact O-CB 3.38Å; E818-S821 PolarHBondContact O-N 2.96Å; E818-S821 PolarHBondContact O-OG 2.76Å; L819-S821 PolarHBondContact O-N 3.16Å; L819-S821 VanDerWaalsContact O-N 3.1Å
822L87Confident82.9Confident6 Ų640.9 Ų40.93%0.03122%0.218CC..Hα-helixtrans-86-55.3171.8171.364.1000110.4T753 S754 Y760 F799 L819 R887 M888T753-L822 HydrophobicContact CG2-CD1 4.34Å; S754-L822 PolarHBondContact N-O 3.36Å; Y760-L822 HydrophobicContact CD1-CD1 4.27Å; Y760-L822 HydrophobicContact CE1-CD1 3.8Å; Y760-L822 HydrophobicContact CE2-CD1 4.09Å; F799-L822 HydrophobicContact CD1-CB 4.14Å; F799-L822 HydrophobicContact CE1-CB 3.79Å; F799-L822 HydrophobicContact CE1-CD1 3.77Å; F799-L822 HydrophobicContact CE1-CG 4.31Å; F799-L822 HydrophobicContact CZ-CB 4.39Å; F799-L822 HydrophobicContact CZ-CD1 3.72Å; F799-L822 HydrophobicContact CZ-CG 4.48Å; L819-L822 HydrophobicContact CD1-CD2 4.38Å; L819-L822 PolarHBondContact O-N 3.47Å; L822-R887 HydrophobicContact CD2-CB 4.19Å; L822-M888 HydrophobicContact CB-CE 4.19Å; L822-M888 HydrophobicContact CB-SD 3.45Å; L822-M888 WeakPolarHBondContact CB-SD 3.42Å; L822-M888 HydrophobicContact CD2-CG 4.44Å; L822-M888 HydrophobicContact CD2-SD 3.34Å; L822-M888 WeakPolarHBondContact CD2-SD 3.43Å; L822-M888 HydrophobicContact CG-SD 3.98Å
823D86.8Confident83.9Confident31 Ų3139.8 Ų39.817%0.16621%0.213CC..  trans-154.3103.2-172.9-170.5-24.5000110.8L819 E825 F826 Y827L819-D823 PolarHBondContact O-N 3.09Å; D823-E825 VanDerWaalsContact C-N 3.32Å; D823-E825 PolarHBondContact O-N 3.36Å; D823-E825 PolarHBondContact OD1-N 3.26Å; D823-F826 HydrophobicContact CB-CB 3.83Å; D823-F826 VanDerWaalsContact CG-CB 3.45Å; D823-F826 PolarHBondContact OD1-N 2.89Å; D823-Y827 PolarHBondContact O-N 3.35Å; D823-Y827 VanDerWaalsContact O-N 3.12Å
824S84.3Confident84.4Confident59 Ų5940.4 Ų40.441%0.41322%0.217SC..Hα-helixtrans-69.3-27-178.872.60000113.9K828S824-K828 WeakPolarHBondContact O-CG 3.27Å; S824-K828 PolarHBondContact O-N 3.04Å
825E86.6Confident84.7Confident136 Ų13644.9 Ų44.964%0.63623%0.231SC*.Hα-helixtrans-77-44.4179.4-174.4176.9178.900109.8D823 Y827 K828 N829D823-E825 VanDerWaalsContact C-N 3.32Å; D823-E825 PolarHBondContact O-N 3.36Å; D823-E825 PolarHBondContact OD1-N 3.26Å; E825-Y827 VanDerWaalsContact C-N 3.31Å; E825-Y827 PolarHBondContact O-N 3.03Å; E825-K828 WeakPolarHBondContact O-CB 3.41Å; E825-K828 PolarHBondContact O-N 3.33Å; E825-K828 VanDerWaalsContact O-N 3.14Å; E825-N829 PolarHBondContact O-N 3.23Å
826F86.9Confident84.9Confident37 Ų3748.1 Ų48.116%0.16224%0.242CC..Hα-helixtrans-60.9-39.6174.8-170.2-106.3000112.6L819 D823 N829 L830 M883 R887L819-F826 HydrophobicContact CD1-CD1 4.06Å; L819-F826 HydrophobicContact CD1-CE1 4.48Å; L819-F826 HydrophobicContact CD2-CD1 3.9Å; L819-F826 HydrophobicContact CD2-CE1 4.28Å; L819-F826 HydrophobicContact CG-CD1 4.3Å; D823-F826 HydrophobicContact CB-CB 3.83Å; D823-F826 VanDerWaalsContact CG-CB 3.45Å; D823-F826 PolarHBondContact OD1-N 2.89Å; F826-N829 PolarHBondContact O-N 3.2Å; F826-L830 HydrophobicContact CD1-CD1 4.23Å; F826-L830 HydrophobicContact CD1-CG 4.44Å; F826-L830 HydrophobicContact CE1-CD1 3.68Å; F826-L830 HydrophobicContact CE1-CG 4.08Å; F826-L830 HydrophobicContact CZ-CD1 4.24Å; F826-L830 HydrophobicContact CZ-CD2 4.35Å; F826-L830 HydrophobicContact CZ-CG 4.32Å; F826-L830 PolarHBondContact O-N 3.02Å; F826-M883 HydrophobicContact CE1-CG 3.95Å; F826-M883 HydrophobicContact CZ-CG 3.51Å; F826-M883 HydrophobicContact CZ-SD 4.06Å; F826-R887 HydrophobicContact CE1-CG 3.86Å; F826-R887 HydrophobicContact CZ-CG 4.14Å
827Y86.5Confident84.6Confident21 Ų2155.4 Ų55.48%0.08228%0.281CS..Hα-helixtrans-57.8-48.2172171-100.3000112.1I816 L819 P820 D823 E825 N829 L830 T831I816-Y827 HydrophobicContact CD1-CD2 3.92Å; I816-Y827 HydrophobicContact CD1-CE2 3.99Å; I816-Y827 HydrophobicContact CG1-CE2 4.17Å; L819-Y827 HydrophobicContact CB-CD2 4.3Å; L819-Y827 HydrophobicContact CD2-CD2 4.35Å; P820-Y827 HydrophobicContact CG-CD1 3.9Å; P820-Y827 HydrophobicContact CG-CD2 3.76Å; P820-Y827 HydrophobicContact CG-CE1 4.19Å; P820-Y827 HydrophobicContact CG-CE2 4.07Å; P820-Y827 HydrophobicContact CG-CG 3.67Å; D823-Y827 PolarHBondContact O-N 3.35Å; D823-Y827 VanDerWaalsContact O-N 3.12Å; E825-Y827 VanDerWaalsContact C-N 3.31Å; E825-Y827 PolarHBondContact O-N 3.03Å; Y827-N829 VanDerWaalsContact C-N 3.27Å; Y827-N829 PolarHBondContact O-N 3.02Å; Y827-L830 PolarHBondContact O-N 3.24Å; Y827-T831 PolarHBondContact O-N 3.43Å; Y827-T831 PolarHBondContact O-OG1 3.44Å
828K85.8Confident84.8Confident139 Ų13955.9 Ų55.960%0.60429%0.29SS*.Hα-helixtrans-58.4-40.2177.2-71.7171.3-176.5178.20111.8S824 E825 T831 S832S824-K828 WeakPolarHBondContact O-CG 3.27Å; S824-K828 PolarHBondContact O-N 3.04Å; E825-K828 WeakPolarHBondContact O-CB 3.41Å; E825-K828 PolarHBondContact O-N 3.33Å; E825-K828 VanDerWaalsContact O-N 3.14Å; K828-T831 PolarHBondContact O-N 3.16Å; K828-S832 PolarHBondContact O-N 3.02Å
829N87.6Confident84.8Confident85 Ų8558.8 Ų58.846%0.45531%0.306SS..Hα-helixtrans-63.3-45.4177.1-66.5-20000111.8E825 F826 Y827 S832 I833E825-N829 PolarHBondContact O-N 3.23Å; F826-N829 PolarHBondContact O-N 3.2Å; Y827-N829 VanDerWaalsContact C-N 3.27Å; Y827-N829 PolarHBondContact O-N 3.02Å; N829-S832 WeakPolarHBondContact O-CB 3.48Å; N829-S832 PolarHBondContact O-N 3.21Å; N829-S832 PolarHBondContact O-OG 3.14Å; N829-I833 PolarHBondContact O-N 2.85Å
830L87.6Confident84.8Confident4 Ų458.8 Ų58.82%0.02131%0.306CS..Hα-helixtrans-66.6-38.8176.1-67.4-172.1000112.9L819 F826 Y827 S832 I833 K834 Y879 I880 M883L819-L830 HydrophobicContact CD2-CD1 3.67Å; F826-L830 HydrophobicContact CD1-CD1 4.23Å; F826-L830 HydrophobicContact CD1-CG 4.44Å; F826-L830 HydrophobicContact CE1-CD1 3.68Å; F826-L830 HydrophobicContact CE1-CG 4.08Å; F826-L830 HydrophobicContact CZ-CD1 4.24Å; F826-L830 HydrophobicContact CZ-CD2 4.35Å; F826-L830 HydrophobicContact CZ-CG 4.32Å; F826-L830 PolarHBondContact O-N 3.02Å; Y827-L830 PolarHBondContact O-N 3.24Å; L830-S832 VanDerWaalsContact C-N 3.26Å; L830-S832 PolarHBondContact O-N 2.93Å; L830-I833 HydrophobicContact CD2-CD1 4.2Å; L830-I833 WeakPolarHBondContact O-CB 3.4Å; L830-I833 PolarHBondContact O-N 3.02Å; L830-I833 VanDerWaalsContact O-N 3.15Å; L830-K834 PolarHBondContact O-N 3.29Å; L830-Y879 HydrophobicContact CD2-CE1 4.25Å; L830-I880 HydrophobicContact CB-CG2 4.26Å; L830-I880 HydrophobicContact CD1-CG2 4.35Å; L830-M883 HydrophobicContact CD1-CB 4.33Å; L830-M883 HydrophobicContact CD1-CG 4.2Å; L830-M883 HydrophobicContact CD2-CG 4.17Å
831T84.2Confident84.6Confident14 Ų1458.2 Ų58.29%0.08631%0.308CS..Hα-helixtrans-64.9-32.3175.7-56.90000111.6Y827 K828 I833 K834 R835Y827-T831 PolarHBondContact O-N 3.43Å; Y827-T831 PolarHBondContact O-OG1 3.44Å; K828-T831 PolarHBondContact O-N 3.16Å; T831-I833 VanDerWaalsContact C-N 3.31Å; T831-I833 PolarHBondContact O-N 2.71Å; T831-K834 WeakPolarHBondContact O-CB 3.24Å; T831-K834 PolarHBondContact O-N 3.31Å; T831-R835 PolarHBondContact O-N 3.38Å; T831-R835 VanDerWaalsContact O-N 3.07Å
832S86Confident84.7Confident70 Ų7062.2 Ų62.249%0.4933%0.327SS..Hα-helixtrans-63.4-35.3173.480.10000112.6K828 N829 L830 R835 Y836K828-S832 PolarHBondContact O-N 3.02Å; N829-S832 WeakPolarHBondContact O-CB 3.48Å; N829-S832 PolarHBondContact O-N 3.21Å; N829-S832 PolarHBondContact O-OG 3.14Å; L830-S832 VanDerWaalsContact C-N 3.26Å; L830-S832 PolarHBondContact O-N 2.93Å; S832-R835 CarbonylContact O-C 3.37Å; S832-R835 PolarHBondContact O-N 3.25Å; S832-Y836 PolarHBondContact O-N 3.02Å
833I86.3Confident84.7Confident18 Ų1865.7 Ų65.79%0.09235%0.345CS..Hα-helixtrans-68.3-38.7174.7-59.8169.1000110.6N829 L830 T831 R835 Y836 V840 L843 L845 Y879N829-I833 PolarHBondContact O-N 2.85Å; L830-I833 HydrophobicContact CD2-CD1 4.2Å; L830-I833 WeakPolarHBondContact O-CB 3.4Å; L830-I833 PolarHBondContact O-N 3.02Å; L830-I833 VanDerWaalsContact O-N 3.15Å; T831-I833 VanDerWaalsContact C-N 3.31Å; T831-I833 PolarHBondContact O-N 2.71Å; I833-R835 VanDerWaalsContact C-N 3.32Å; I833-R835 PolarHBondContact O-N 2.89Å; I833-Y836 PolarHBondContact O-N 3.43Å; I833-V840 HydrophobicContact CG2-CG1 4.18Å; I833-V840 HydrophobicContact CG2-CG2 4.46Å; I833-L843 HydrophobicContact CG1-CD1 4.47Å; I833-L845 HydrophobicContact CD1-CD1 3.76Å; I833-L845 HydrophobicContact CG1-CD1 4.49Å; I833-Y879 HydrophobicContact CD1-CE1 3.92Å
834K82.9Confident84.6Confident52 Ų5267.2 Ų67.223%0.22637%0.368CS..Hα-helixtrans-57.9-46.7174.5-175.7-177.5166.4-168.20110.7D544 E547 L830 T831 Y836 K876 I877 I880D544-K834 IonicContact OD2-NZ 3.68Å; D544-K834 PolarHBondContact OD2-NZ 2.95Å; E547-K834 VanDerWaalsContact CD-NZ 3.26Å; E547-K834 IonicContact OE1-NZ 3.57Å; E547-K834 PolarHBondContact OE1-NZ 3.4Å; E547-K834 IonicContact OE2-NZ 2.86Å; E547-K834 PolarHBondContact OE2-NZ 3.21Å; L830-K834 PolarHBondContact O-N 3.29Å; T831-K834 WeakPolarHBondContact O-CB 3.24Å; T831-K834 PolarHBondContact O-N 3.31Å; K834-Y836 VanDerWaalsContact C-N 3.33Å; K834-K876 PolarHBondContact O-NZ 3.48Å; K834-I877 HydrophobicContact CG-CD1 4.18Å; K834-I880 HydrophobicContact CB-CD1 3.79Å
835R82.7Confident84.9Confident112 Ų11266.7 Ų66.742%0.42336%0.36SS..THydrogen-bonded Turntrans-86.25.5-176.5-62.3179.8179.4-149.3-9.7114.3E551 T831 S832 I833 D837E551-R835 IonicContact OE1-CZ 3.82Å; E551-R835 IonicContact OE1-NH1 2.84Å; E551-R835 IonicContact OE1-NH2 2.85Å; E551-R835 PolarHBondContact OE1-NH2 3.01Å; T831-R835 PolarHBondContact O-N 3.38Å; T831-R835 VanDerWaalsContact O-N 3.07Å; S832-R835 CarbonylContact O-C 3.37Å; S832-R835 PolarHBondContact O-N 3.25Å; I833-R835 VanDerWaalsContact C-N 3.32Å; I833-R835 PolarHBondContact O-N 2.89Å; R835-D837 PolarHBondContact O-N 3.4Å
836Y84Confident85.2Confident86 Ų8662.4 Ų62.434%0.33734%0.344SS..  trans-74.1119.7178.5-171.3-108.8000110.6S832 I833 K834 G838 D839 V840 K876S832-Y836 PolarHBondContact O-N 3.02Å; I833-Y836 PolarHBondContact O-N 3.43Å; K834-Y836 VanDerWaalsContact C-N 3.33Å; Y836-G838 VanDerWaalsContact CE1-C 3.41Å; Y836-D839 WeakPolarHBondContact CE1-O 3.49Å; Y836-V840 HydrophobicContact CD1-CG2 3.94Å; Y836-K876 PolarHBondContact O-NZ 2.98Å
837D76.6Confident85.3Confident171 Ų17161 Ų6191%0.91434%0.338SS*.  trans-81.1-17.6-178.3-69.4-37.4000113.6R835R835-D837 PolarHBondContact O-N 3.4Å
838G83.6Confident85.6Confident29 Ų2960.5 Ų60.530%0.29934%0.337SS..SBendtrans-82-171.4178.800000114.2Y836 V840 N873Y836-G838 VanDerWaalsContact CE1-C 3.41Å; G838-V840 PolarHBondContact O-N 3.49Å; G838-N873 PolarHBondContact O-ND2 2.61Å
839D81.1Confident85.8Confident82 Ų8255.9 Ų55.944%0.43932%0.317SS..  trans-77114.8169.1-166.3-5.3000110.1Y836 G841 D842Y836-D839 WeakPolarHBondContact CE1-O 3.49Å; D839-G841 PolarHBondContact O-N 3.24Å; D839-G841 VanDerWaalsContact O-N 3.11Å; D839-G841 PolarHBondContact OD1-N 3.29Å; D839-D842 WeakPolarHBondContact O-CB 3.36Å; D839-D842 PolarHBondContact O-N 2.78Å
840V86Confident85.9Confident0 Ų055.8 Ų55.80%032%0.316CS..G310 helixtrans-58.8-22.9176.9173.80000111.7I833 Y836 G838 D842 L843 V871 N873 K876I833-V840 HydrophobicContact CG2-CG1 4.18Å; I833-V840 HydrophobicContact CG2-CG2 4.46Å; Y836-V840 HydrophobicContact CD1-CG2 3.94Å; G838-V840 PolarHBondContact O-N 3.49Å; V840-D842 PolarHBondContact O-N 3.18Å; V840-L843 HydrophobicContact CG1-CD1 4.32Å; V840-L843 WeakPolarHBondContact O-CB 3.06Å; V840-L843 PolarHBondContact O-N 3.45Å; V840-L843 VanDerWaalsContact O-N 3.09Å; V840-V871 CarbonylContact C-O 3.53Å; V840-V871 HydrophobicContact CG1-CB 4.22Å; V840-V871 HydrophobicContact CG1-CG1 3.66Å; V840-N873 WeakPolarHBondContact CG2-OD1 2.91Å; V840-K876 HydrophobicContact CG1-CB 4.37Å; V840-K876 HydrophobicContact CG2-CB 4.28Å; V840-K876 HydrophobicContact CG2-CD 3.73Å
841G82.2Confident85.8Confident32 Ų3257.1 Ų57.133%0.3332%0.322SS..G310 helixtrans-56.9-28.3173.200000114D839 L843 G844 V871D839-G841 PolarHBondContact O-N 3.24Å; D839-G841 VanDerWaalsContact O-N 3.11Å; D839-G841 PolarHBondContact OD1-N 3.29Å; G841-L843 PolarHBondContact O-N 2.93Å; G841-G844 PolarHBondContact O-N 3.18Å; G841-V871 WeakPolarHBondContact CA-O 3.46Å; G841-V871 PolarHBondContact N-O 3.36Å
842D84.7Confident85.9Confident123 Ų12361.8 Ų61.866%0.65835%0.346SS*.G310 helixtrans-68.2-20.6179.2-64.3-26.9000112.9D839 V840 G844D839-D842 WeakPolarHBondContact O-CB 3.36Å; D839-D842 PolarHBondContact O-N 2.78Å; V840-D842 PolarHBondContact O-N 3.18Å; D842-G844 PolarHBondContact O-N 3.26Å
843L86.1Confident85.7Confident78 Ų7859.3 Ų59.341%0.40833%0.329SS..G310 helixtrans-75.2-8.9178.5-60.1177.8000112.9I833 V840 G841 L845I833-L843 HydrophobicContact CG1-CD1 4.47Å; V840-L843 HydrophobicContact CG1-CD1 4.32Å; V840-L843 WeakPolarHBondContact O-CB 3.06Å; V840-L843 PolarHBondContact O-N 3.45Å; V840-L843 VanDerWaalsContact O-N 3.09Å; G841-L843 PolarHBondContact O-N 2.93Å; L843-L845 HydrophobicContact CB-CD1 4.09Å; L843-L845 HydrophobicContact CB-CG 3.89Å; L843-L845 HydrophobicContact CD1-CD1 4.14Å; L843-L845 PolarHBondContact O-N 2.95Å
844G85.3Confident85.5Confident64 Ų6466.2 Ų66.266%0.6636%0.362SS*.THydrogen-bonded Turntrans64.619.9178.600000114.2G841 D842G841-G844 PolarHBondContact O-N 3.18Å; D842-G844 PolarHBondContact O-N 3.26Å
845L91.1Very high85.6Confident47 Ų4766.9 Ų66.925%0.24638%0.384CS..  trans-75.7142.4179.6-61.1174.9000110.6I833 L843 P870 V871 Y879I833-L845 HydrophobicContact CD1-CD1 3.76Å; I833-L845 HydrophobicContact CG1-CD1 4.49Å; L843-L845 HydrophobicContact CB-CD1 4.09Å; L843-L845 HydrophobicContact CB-CG 3.89Å; L843-L845 HydrophobicContact CD1-CD1 4.14Å; L843-L845 PolarHBondContact O-N 2.95Å; L845-P870 WeakPolarHBondContact O-CA 3.44Å; L845-V871 HydrophobicContact CB-CB 3.96Å; L845-V871 HydrophobicContact CB-CG2 3.76Å; L845-V871 PolarHBondContact O-N 3.3Å; L845-Y879 HydrophobicContact CD1-CE1 4.16Å
846T91.6Very high85.7Confident47 Ų4768.2 Ų68.229%0.28840%0.395SS..BIsolated β-bridgetrans-115.2164.5171.349.80000110.1S848 M869 Y879T846-S848 PolarHBondContact O-N 3.2Å; T846-S848 PolarHBondContact OG1-OG 3.34Å; T846-M869 WeakPolarHBondContact CA-O 3.42Å; T846-Y879 WeakPolarHBondContact O-CE2 3.31Å
847L89.8Confident85.8Confident6 Ų669.7 Ų69.73%0.03141%0.408CS..SBendtrans-75.251.5173.6-75.5159.6000111.6L862 I863 G866 M869 V871 Y879 L882L847-L862 WeakPolarHBondContact O-CB 3.43Å; L847-L862 PolarHBondContact O-N 2.91Å; L847-I863 HydrophobicContact CB-CD1 4.46Å; L847-I863 HydrophobicContact CB-CG1 4.15Å; L847-I863 HydrophobicContact CD1-CD1 3.73Å; L847-I863 HydrophobicContact CD1-CG1 4.33Å; L847-G866 PolarHBondContact N-O 2.99Å; L847-G866 VanDerWaalsContact N-O 3.16Å; L847-G866 WeakPolarHBondContact O-CA 3.4Å; L847-M869 HydrophobicContact CD1-CB 3.9Å; L847-M869 HydrophobicContact CD1-CE 4.04Å; L847-M869 HydrophobicContact CD1-SD 4.46Å; L847-M869 PolarHBondContact N-O 3.09Å; L847-M869 VanDerWaalsContact N-O 3.08Å; L847-V871 HydrophobicContact CG-CG2 4.42Å; L847-Y879 HydrophobicContact CD2-CD2 3.96Å; L847-Y879 HydrophobicContact CD2-CG 4.47Å; L847-L882 HydrophobicContact CD2-CD1 3.92Å
848S91.8Very high86.4Confident11 Ų1163.9 Ų63.98%0.07738%0.379CS..EExtended strand (participates in β ladder)trans-142.8163.9178.857.40000111.5T846 H860T846-S848 PolarHBondContact O-N 3.2Å; T846-S848 PolarHBondContact OG1-OG 3.34Å; S848-H860 CarbonylContact C-O 3.38Å; S848-H860 WeakPolarHBondContact CA-O 3.35Å; S848-H860 VanDerWaalsContact CB-O 3.28Å; S848-H860 WeakPolarHBondContact CB-O 3.35Å
849Y90.7Very high86.7Confident43 Ų4364.4 Ų64.417%0.16938%0.377CS..EExtended strand (participates in β ladder)trans-128.3126.4176.4175.5-110000109.9E851 H860 M883 F886 R887Y849-E851 HydrophobicContact CD1-CB 4.31Å; Y849-E851 HydrophobicContact CE1-CB 3.73Å; Y849-E851 HydrophobicContact CE1-CG 4.22Å; Y849-H860 PolarHBondContact N-O 2.93Å; Y849-H860 PolarHBondContact O-N 3.4Å; Y849-M883 HydrophobicContact CD2-CE 4.04Å; Y849-M883 HydrophobicContact CD2-SD 3.79Å; Y849-M883 HydrophobicContact CG-CE 4.46Å; Y849-M883 HydrophobicContact CG-SD 4.13Å; Y849-F886 HydrophobicContact CD1-CD1 4.03Å; Y849-F886 AromaticContact CD1-CE1 3.37Å; Y849-F886 HydrophobicContact CD1-CE1 3.37Å; Y849-F886 HydrophobicContact CD1-CZ 4.14Å; Y849-F886 AromaticContact CE1-CE1 3.96Å; Y849-F886 HydrophobicContact CE1-CE1 3.96Å; Y849-F886 HydrophobicContact CG-CD1 4.35Å; Y849-F886 HydrophobicContact CG-CE1 4.09Å; Y849-R887 PolarHBondContact OH-NH1 3.23Å
850D89.4Confident87.1Confident83 Ų8363.2 Ų63.244%0.44437%0.369SS..EExtended strand (participates in β ladder)trans-99.3121.4177-64.6-25.3000109.9L857 C859D850-L857 HydrophobicContact CB-CD1 4.16Å; D850-L857 HydrophobicContact CB-CD2 4.2Å; D850-L857 HydrophobicContact CB-CG 4.16Å; D850-C859 WeakPolarHBondContact OD1-CA 3.21Å; D850-C859 WeakPolarHBondContact OD1-CB 3Å; D850-C859 PolarHBondContact OD1-SG 3.4Å
851E86.6Confident87.4Confident31 Ų3167.4 Ų67.415%0.14539%0.389CS..EExtended strand (participates in β ladder)trans-113.6132.6177.9-169.2169.5-150.400110.3Y849 V853 V858 H860Y849-E851 HydrophobicContact CD1-CB 4.31Å; Y849-E851 HydrophobicContact CE1-CB 3.73Å; Y849-E851 HydrophobicContact CE1-CG 4.22Å; E851-V853 HydrophobicContact CB-CG2 4.47Å; E851-V853 HydrophobicContact CG-CG2 4.02Å; E851-V853 PolarHBondContact O-N 3.45Å; E851-V858 PolarHBondContact N-O 3.44Å; E851-V858 PolarHBondContact O-N 3.34Å; E851-H860 IonicContact OE2-NE2 2.69Å
852D85.3Confident87.7Confident112 Ų11267 Ų6760%0.59938%0.379SS*.EExtended strand (participates in β ladder)trans-84.8109.4168.8-175.3-9.2000109.6G855D852-G855 WeakPolarHBondContact OD1-CA 3.42Å; D852-G855 PolarHBondContact OD1-N 2.93Å
853V82.7Confident87.8Confident19 Ų1963.6 Ų63.612%0.11536%0.36CS..EExtended strand (participates in β ladder)trans-110.1104.5175.2-176.60000108.5T764 Y766 E851 G855 Q856 V858T764-V853 HydrophobicContact CG2-CG1 4.49Å; Y766-V853 WeakPolarHBondContact OH-CG1 3.39Å; E851-V853 HydrophobicContact CB-CG2 4.47Å; E851-V853 HydrophobicContact CG-CG2 4.02Å; E851-V853 PolarHBondContact O-N 3.45Å; V853-G855 PolarHBondContact O-N 3.03Å; V853-Q856 PolarHBondContact N-O 3.31Å; V853-Q856 PolarHBondContact O-N 3.17Å; V853-V858 HydrophobicContact CB-CG2 4.31Å; V853-V858 HydrophobicContact CG2-CG2 4.16Å
854M82.1Confident87.7Confident162 Ų16265.9 Ų65.980%0.79838%0.38SS*.THydrogen-bonded Turntrans55.434.5177.6-60.4178.7164.500114.1I767I767-M854 HydrophobicContact CD1-CE 3.3Å; I767-M854 HydrophobicContact CD1-SD 4.46Å; I767-M854 HydrophobicContact CG1-CE 4.07Å
855G83.9Confident87.8Confident67 Ų6764.3 Ų64.369%0.69136%0.364SS*.THydrogen-bonded Turntrans88.6-0.1-178.700000114.2D852 V853D852-G855 WeakPolarHBondContact OD1-CA 3.42Å; D852-G855 PolarHBondContact OD1-N 2.93Å; V853-G855 PolarHBondContact O-N 3.03Å
856Q85.4Confident87.7Confident139 Ų13962.1 Ų62.165%0.6535%0.352SS*.EExtended strand (participates in β ladder)trans-103.8122.2173.1-175176.4-4.800110.1V853 V858V853-Q856 PolarHBondContact N-O 3.31Å; V853-Q856 PolarHBondContact O-N 3.17Å; Q856-V858 HydrophobicContact CG-CG2 4.48Å; Q856-V858 PolarHBondContact O-N 3.48Å
857L86.9Confident87.5Confident118 Ų11864.1 Ų64.162%0.61836%0.357SS*.EExtended strand (participates in β ladder)trans-75.3111.4174.4-159.684.3000110D850D850-L857 HydrophobicContact CB-CD1 4.16Å; D850-L857 HydrophobicContact CB-CD2 4.2Å; D850-L857 HydrophobicContact CB-CG 4.16Å
858V88.6Confident87.4Confident48 Ų4869.7 Ų69.729%0.29139%0.391SS..EExtended strand (participates in β ladder)trans-103.4119.9175.9-1760000108.9E851 V853 Q856 H860E851-V858 PolarHBondContact N-O 3.44Å; E851-V858 PolarHBondContact O-N 3.34Å; V853-V858 HydrophobicContact CB-CG2 4.31Å; V853-V858 HydrophobicContact CG2-CG2 4.16Å; Q856-V858 HydrophobicContact CG-CG2 4.48Å; Q856-V858 PolarHBondContact O-N 3.48Å; V858-H860 WeakPolarHBondContact CG1-NE2 3.48Å
859C89.4Confident87.2Confident40 Ų4073 Ų7327%0.2741%0.406SS..EExtended strand (participates in β ladder)trans-99.3112-178.6178.30000111D850 K867D850-C859 WeakPolarHBondContact OD1-CA 3.21Å; D850-C859 WeakPolarHBondContact OD1-CB 3Å; D850-C859 PolarHBondContact OD1-SG 3.4Å; C859-K867 WeakPolarHBondContact O-CE 3.29Å; C859-K867 PolarHBondContact O-NZ 3.37Å; C859-K867 WeakPolarHBondContact SG-CE 3.36Å; C859-K867 PolarHBondContact SG-NZ 3.44Å; C859-K867 VanDerWaalsContact SG-NZ 3.41Å
860H90.1Very high87.1Confident58 Ų5874.6 Ų74.627%0.26942%0.422SS..EExtended strand (participates in β ladder)trans-94.8127.7179.1-61.5-86.8000111.2S848 Y849 E851 V858 F886S848-H860 CarbonylContact C-O 3.38Å; S848-H860 WeakPolarHBondContact CA-O 3.35Å; S848-H860 VanDerWaalsContact CB-O 3.28Å; S848-H860 WeakPolarHBondContact CB-O 3.35Å; Y849-H860 PolarHBondContact N-O 2.93Å; Y849-H860 PolarHBondContact O-N 3.4Å; E851-H860 IonicContact OE2-NE2 2.69Å; V858-H860 WeakPolarHBondContact CG1-NE2 3.48Å; H860-F886 HydrophobicContact CB-CE2 3.82Å; H860-F886 HydrophobicContact CB-CZ 3.66Å; H860-F886 AromaticContact CG-CZ 3.64Å
861E91.1Very high87.1Confident87 Ų8770.7 Ų70.741%0.40740%0.401SS..EExtended strand (participates in β ladder)trans-82.1130.6174.7-44.9-159.2137.700110.7I863 G865 K867E861-I863 WeakPolarHBondContact CB-O 3.4Å; E861-G865 PolarHBondContact OE2-N 3.02Å; E861-K867 HydrophobicContact CG-CD 4.1Å; E861-K867 HydrophobicContact CG-CG 3.89Å; E861-K867 VanDerWaalsContact OE1-CD 3.27Å; E861-K867 WeakPolarHBondContact OE1-CD 3.42Å; E861-K867 WeakPolarHBondContact OE1-CE 3.49Å; E861-K867 VanDerWaalsContact OE1-CG 3.24Å; E861-K867 WeakPolarHBondContact OE1-CG 3.41Å
862L90.2Very high87.2Confident24 Ų2471.4 Ų71.413%0.12641%0.408CS..SBendtrans-75.6-31.2176.6-60.8177.9000111.8L847 Y879 L882 M883 F886L847-L862 WeakPolarHBondContact O-CB 3.43Å; L847-L862 PolarHBondContact O-N 2.91Å; L862-Y879 HydrophobicContact CD1-CD2 3.97Å; L862-Y879 HydrophobicContact CD1-CE2 4.01Å; L862-L882 HydrophobicContact CB-CB 4.19Å; L862-L882 HydrophobicContact CD1-CB 4.15Å; L862-M883 HydrophobicContact CD1-CB 4.38Å; L862-M883 HydrophobicContact CD1-CE 3.96Å; L862-M883 HydrophobicContact CD2-SD 4.34Å; L862-F886 HydrophobicContact CD2-CB 3.62Å; L862-F886 HydrophobicContact CD2-CD2 4.2Å; L862-F886 HydrophobicContact CD2-CG 3.86Å
863I84.9Confident87.1Confident51 Ų5169.4 Ų69.426%0.26240%0.397SS..SBendtrans-135.7155.8171.658.3168.2000108.9L847 E861 G865 G866 M869 L882L847-I863 HydrophobicContact CB-CD1 4.46Å; L847-I863 HydrophobicContact CB-CG1 4.15Å; L847-I863 HydrophobicContact CD1-CD1 3.73Å; L847-I863 HydrophobicContact CD1-CG1 4.33Å; E861-I863 WeakPolarHBondContact CB-O 3.4Å; I863-G865 PolarHBondContact O-N 3.16Å; I863-G866 WeakPolarHBondContact O-CA 3.33Å; I863-G866 PolarHBondContact O-N 2.9Å; I863-M869 HydrophobicContact CD1-CE 4.13Å; I863-M869 HydrophobicContact CD1-SD 3.73Å; I863-L882 HydrophobicContact CG2-CD1 3.75Å; I863-L882 HydrophobicContact CG2-CD2 4.1Å
864P86Confident86.9Confident127 Ų12777.6 Ų77.683%0.82543%0.434SS*.THydrogen-bonded Turntrans-54.8122.8175.6-25.635000112G866P864-G866 VanDerWaalsContact C-N 3.32Å
865G86.5Confident86.9Confident31 Ų3171.3 Ų71.332%0.3240%0.404SS..THydrogen-bonded Turntrans81.85.8-177.400000114.9E861 I863 K867 T868E861-G865 PolarHBondContact OE2-N 3.02Å; I863-G865 PolarHBondContact O-N 3.16Å; G865-K867 PolarHBondContact O-N 3.2Å; G865-K867 VanDerWaalsContact O-N 3.15Å; G865-T868 PolarHBondContact O-N 3.12Å; G865-T868 VanDerWaalsContact O-N 3.08Å; G865-T868 PolarHBondContact O-OG1 2.98Å
866G88.2Confident87Confident0 Ų069.7 Ų69.70%038%0.378CS..G310 helixtrans-59.9-25.4-174.200000115L847 I863 P864 T868 M869L847-G866 PolarHBondContact N-O 2.99Å; L847-G866 VanDerWaalsContact N-O 3.16Å; L847-G866 WeakPolarHBondContact O-CA 3.4Å; I863-G866 WeakPolarHBondContact O-CA 3.33Å; I863-G866 PolarHBondContact O-N 2.9Å; P864-G866 VanDerWaalsContact C-N 3.32Å; G866-T868 PolarHBondContact O-N 3.18Å; G866-M869 PolarHBondContact O-N 2.65Å; G866-M869 VanDerWaalsContact O-N 3.11Å
867K88.1Confident86.8Confident90 Ų9067 Ų6739%0.39137%0.367SS..G310 helixtrans-60.3-26.6175.1-68.5179.6-163.9-1540113.5C859 E861 G865C859-K867 WeakPolarHBondContact O-CE 3.29Å; C859-K867 PolarHBondContact O-NZ 3.37Å; C859-K867 WeakPolarHBondContact SG-CE 3.36Å; C859-K867 PolarHBondContact SG-NZ 3.44Å; C859-K867 VanDerWaalsContact SG-NZ 3.41Å; E861-K867 HydrophobicContact CG-CD 4.1Å; E861-K867 HydrophobicContact CG-CG 3.89Å; E861-K867 VanDerWaalsContact OE1-CD 3.27Å; E861-K867 WeakPolarHBondContact OE1-CD 3.42Å; E861-K867 WeakPolarHBondContact OE1-CE 3.49Å; E861-K867 VanDerWaalsContact OE1-CG 3.24Å; E861-K867 WeakPolarHBondContact OE1-CG 3.41Å; G865-K867 PolarHBondContact O-N 3.2Å; G865-K867 VanDerWaalsContact O-N 3.15Å
868T86.9Confident86.6Confident122 Ų12264.6 Ų64.675%0.74836%0.36SS*.G310 helixtrans-97.2-6.1-179.362.70000113G865 G866G865-T868 PolarHBondContact O-N 3.12Å; G865-T868 VanDerWaalsContact O-N 3.08Å; G865-T868 PolarHBondContact O-OG1 2.98Å; G866-T868 PolarHBondContact O-N 3.18Å
869M87.9Confident86.6Confident80 Ų8063.1 Ų63.139%0.39435%0.349SS..  trans-101.7113.5-176.2-67.8-176.463.400110.1T846 L847 I863 G866T846-M869 WeakPolarHBondContact CA-O 3.42Å; L847-M869 HydrophobicContact CD1-CB 3.9Å; L847-M869 HydrophobicContact CD1-CE 4.04Å; L847-M869 HydrophobicContact CD1-SD 4.46Å; L847-M869 PolarHBondContact N-O 3.09Å; L847-M869 VanDerWaalsContact N-O 3.08Å; I863-M869 HydrophobicContact CD1-CE 4.13Å; I863-M869 HydrophobicContact CD1-SD 3.73Å; G866-M869 PolarHBondContact O-N 2.65Å; G866-M869 VanDerWaalsContact O-N 3.11Å
870P90.1Very high86.5Confident78 Ų7861.7 Ų61.751%0.50634%0.339SS..BIsolated β-bridgetrans-71.6149.9176.229.9-34.1000111.2L845 N875L845-P870 WeakPolarHBondContact O-CA 3.44Å; P870-N875 PolarHBondContact O-ND2 2.88Å
871V89.4Confident86.3Confident0 Ų062.9 Ų62.90%034%0.344CS..  trans-80.3125.1170.6-173.80000108.7V840 G841 L845 L847 N875 K876 Y879V840-V871 CarbonylContact C-O 3.53Å; V840-V871 HydrophobicContact CG1-CB 4.22Å; V840-V871 HydrophobicContact CG1-CG1 3.66Å; G841-V871 WeakPolarHBondContact CA-O 3.46Å; G841-V871 PolarHBondContact N-O 3.36Å; L845-V871 HydrophobicContact CB-CB 3.96Å; L845-V871 HydrophobicContact CB-CG2 3.76Å; L845-V871 PolarHBondContact O-N 3.3Å; L847-V871 HydrophobicContact CG-CG2 4.42Å; V871-N875 VanDerWaalsContact CA-OD1 3.23Å; V871-N875 WeakPolarHBondContact CA-OD1 3.35Å; V871-N875 WeakPolarHBondContact CG1-OD1 3.38Å; V871-K876 HydrophobicContact CG1-CB 4.29Å; V871-Y879 HydrophobicContact CG1-CD1 4.23Å; V871-Y879 HydrophobicContact CG1-CG 3.97Å; V871-Y879 HydrophobicContact CG2-CD1 4.37Å; V871-Y879 HydrophobicContact CG2-CD2 3.49Å; V871-Y879 VanDerWaalsContact CG2-CD2 3.49Å; V871-Y879 HydrophobicContact CG2-CE2 3.98Å; V871-Y879 HydrophobicContact CG2-CG 3.72Å
872T88.1Confident86.1Confident47 Ų4761.2 Ų61.229%0.28834%0.338SS..  trans-121.9169.6-179.668.40000110.2E874 N875 K876T872-E874 PolarHBondContact O-N 2.78Å; T872-E874 VanDerWaalsContact O-N 3.13Å; T872-E874 PolarHBondContact OG1-N 3.5Å; T872-N875 PolarHBondContact N-OD1 3.22Å; T872-N875 PolarHBondContact O-N 3.23Å; T872-N875 VanDerWaalsContact O-N 3.09Å; T872-N875 PolarHBondContact O-OD1 2.8Å; T872-N875 VanDerWaalsContact O-OD1 3.12Å; T872-K876 WeakPolarHBondContact O-CB 3.12Å; T872-K876 PolarHBondContact O-N 3.23Å
873N82.6Confident86.1Confident70 Ų7060.2 Ų60.237%0.37433%0.333SS..THydrogen-bonded Turntrans-57.4-26.6174.4-87.1-39.7000114.2G838 V840 K876G838-N873 PolarHBondContact O-ND2 2.61Å; V840-N873 WeakPolarHBondContact CG2-OD1 2.91Å; N873-K876 PolarHBondContact OD1-NZ 3.22Å
874E78.3Confident86.3Confident190 Ų19057.8 Ų57.889%0.88832%0.32SS*.THydrogen-bonded Turntrans-75.3-31.7177.8-61.5-176.9172.300112.6T872T872-E874 PolarHBondContact O-N 2.78Å; T872-E874 VanDerWaalsContact O-N 3.13Å; T872-E874 PolarHBondContact OG1-N 3.5Å
875N82.1Confident86.5Confident31 Ų3155.5 Ų55.517%0.16630%0.298CS..THydrogen-bonded Turntrans-111.5-0.4-175.274.719.7000114.1P870 V871 T872 I877 S878 Y879P870-N875 PolarHBondContact O-ND2 2.88Å; V871-N875 VanDerWaalsContact CA-OD1 3.23Å; V871-N875 WeakPolarHBondContact CA-OD1 3.35Å; V871-N875 WeakPolarHBondContact CG1-OD1 3.38Å; T872-N875 PolarHBondContact N-OD1 3.22Å; T872-N875 PolarHBondContact O-N 3.23Å; T872-N875 VanDerWaalsContact O-N 3.09Å; T872-N875 PolarHBondContact O-OD1 2.8Å; T872-N875 VanDerWaalsContact O-OD1 3.12Å; N875-I877 VanDerWaalsContact C-N 3.3Å; N875-I877 PolarHBondContact O-N 2.82Å; N875-S878 WeakPolarHBondContact O-CA 3.37Å; N875-S878 WeakPolarHBondContact O-CB 3.46Å; N875-S878 PolarHBondContact O-N 3.43Å; N875-Y879 PolarHBondContact O-N 3.41Å
876K85.8Confident86.7Confident33 Ų3354.6 Ų54.614%0.14329%0.286CS..Hα-helixtrans-56.2-39.2-176.270.6179.7-179.9-179.80113.8K834 Y836 V840 V871 T872 N873 Y879 I880K834-K876 PolarHBondContact O-NZ 3.48Å; Y836-K876 PolarHBondContact O-NZ 2.98Å; V840-K876 HydrophobicContact CG1-CB 4.37Å; V840-K876 HydrophobicContact CG2-CB 4.28Å; V840-K876 HydrophobicContact CG2-CD 3.73Å; V871-K876 HydrophobicContact CG1-CB 4.29Å; T872-K876 WeakPolarHBondContact O-CB 3.12Å; T872-K876 PolarHBondContact O-N 3.23Å; N873-K876 PolarHBondContact OD1-NZ 3.22Å; K876-Y879 PolarHBondContact O-N 2.86Å; K876-I880 WeakPolarHBondContact O-CG1 3.48Å; K876-I880 PolarHBondContact O-N 3.44Å
877I82.2Confident86.7Confident81 Ų8156 Ų5642%0.41529%0.291SS..Hα-helixtrans-66.1-43.6177.2-56.4-58000110.2K834 N875 Y879 I880 H881K834-I877 HydrophobicContact CG-CD1 4.18Å; N875-I877 VanDerWaalsContact C-N 3.3Å; N875-I877 PolarHBondContact O-N 2.82Å; I877-Y879 PolarHBondContact O-N 2.91Å; I877-I880 PolarHBondContact O-N 3.1Å; I877-H881 PolarHBondContact O-CD2 3.24Å; I877-H881 PolarHBondContact O-N 2.7Å; I877-H881 VanDerWaalsContact O-N 3.12Å
878S82.8Confident86.7Confident68 Ų6851.8 Ų51.848%0.47627%0.273SS..Hα-helixtrans-61.7-42.1175.2-560000112.1N875 I880 H881 L882N875-S878 WeakPolarHBondContact O-CA 3.37Å; N875-S878 WeakPolarHBondContact O-CB 3.46Å; N875-S878 PolarHBondContact O-N 3.43Å; S878-I880 PolarHBondContact O-N 3.12Å; S878-H881 PolarHBondContact O-N 2.95Å; S878-L882 WeakPolarHBondContact O-CB 3.5Å; S878-L882 WeakPolarHBondContact O-CD1 3.3Å; S878-L882 WeakPolarHBondContact O-CG 3.11Å; S878-L882 PolarHBondContact O-N 2.86Å
879Y88.2Confident86.8Confident17 Ų1747.1 Ų47.17%0.06724%0.242CC..Hα-helixtrans-57.6-47.9174.6169-99.8000111.9L830 I833 L845 T846 L847 L862 V871 N875 K876 I877 H881 L882 M883L830-Y879 HydrophobicContact CD2-CE1 4.25Å; I833-Y879 HydrophobicContact CD1-CE1 3.92Å; L845-Y879 HydrophobicContact CD1-CE1 4.16Å; T846-Y879 WeakPolarHBondContact O-CE2 3.31Å; L847-Y879 HydrophobicContact CD2-CD2 3.96Å; L847-Y879 HydrophobicContact CD2-CG 4.47Å; L862-Y879 HydrophobicContact CD1-CD2 3.97Å; L862-Y879 HydrophobicContact CD1-CE2 4.01Å; V871-Y879 HydrophobicContact CG1-CD1 4.23Å; V871-Y879 HydrophobicContact CG1-CG 3.97Å; V871-Y879 HydrophobicContact CG2-CD1 4.37Å; V871-Y879 HydrophobicContact CG2-CD2 3.49Å; V871-Y879 VanDerWaalsContact CG2-CD2 3.49Å; V871-Y879 HydrophobicContact CG2-CE2 3.98Å; V871-Y879 HydrophobicContact CG2-CG 3.72Å; N875-Y879 PolarHBondContact O-N 3.41Å; K876-Y879 PolarHBondContact O-N 2.86Å; I877-Y879 PolarHBondContact O-N 2.91Å; Y879-H881 PolarHBondContact O-N 3.47Å; Y879-L882 PolarHBondContact O-N 3.26Å; Y879-M883 HydrophobicContact CE2-CE 3.7Å; Y879-M883 VanDerWaalsContact O-CB 3.26Å; Y879-M883 WeakPolarHBondContact O-CB 3.36Å; Y879-M883 PolarHBondContact O-N 3.49Å; Y879-M883 VanDerWaalsContact OH-CE 3.27Å; Y879-M883 WeakPolarHBondContact OH-CE 3.28Å
880I88.1Confident86.9Confident10 Ų1046.1 Ų46.15%0.05124%0.241CC..Hα-helixtrans-58.5-48.3179.2-69163.9000111.1I816 L830 K834 K876 I877 S878 M883 A884I816-I880 HydrophobicContact CD1-CG2 3.88Å; I816-I880 HydrophobicContact CG1-CG2 4.47Å; L830-I880 HydrophobicContact CB-CG2 4.26Å; L830-I880 HydrophobicContact CD1-CG2 4.35Å; K834-I880 HydrophobicContact CB-CD1 3.79Å; K876-I880 WeakPolarHBondContact O-CG1 3.48Å; K876-I880 PolarHBondContact O-N 3.44Å; I877-I880 PolarHBondContact O-N 3.1Å; S878-I880 PolarHBondContact O-N 3.12Å; I880-M883 PolarHBondContact O-N 3.25Å; I880-A884 WeakPolarHBondContact O-CB 3.48Å; I880-A884 PolarHBondContact O-N 2.98Å
881H85.3Confident86.9Confident83 Ų8343.5 Ų43.538%0.38422%0.222SC..Hα-helixtrans-65.5-42.3178.8-76.9-74.3000112.6I877 S878 Y879 A884 H885I877-H881 PolarHBondContact O-CD2 3.24Å; I877-H881 PolarHBondContact O-N 2.7Å; I877-H881 VanDerWaalsContact O-N 3.12Å; S878-H881 PolarHBondContact O-N 2.95Å; Y879-H881 PolarHBondContact O-N 3.47Å; H881-A884 PolarHBondContact O-N 3.32Å; H881-H885 VanDerWaalsContact O-CB 3.23Å; H881-H885 WeakPolarHBondContact O-CB 3.18Å; H881-H885 PolarHBondContact O-N 2.98Å
882L87.3Confident87.1Confident52 Ų5243.5 Ų43.527%0.27222%0.222SC..Hα-helixtrans-63.8-41.7177.8-74.6168.3000111.7L847 L862 I863 S878 Y879 H885 F886L847-L882 HydrophobicContact CD2-CD1 3.92Å; L862-L882 HydrophobicContact CB-CB 4.19Å; L862-L882 HydrophobicContact CD1-CB 4.15Å; I863-L882 HydrophobicContact CG2-CD1 3.75Å; I863-L882 HydrophobicContact CG2-CD2 4.1Å; S878-L882 WeakPolarHBondContact O-CB 3.5Å; S878-L882 WeakPolarHBondContact O-CD1 3.3Å; S878-L882 WeakPolarHBondContact O-CG 3.11Å; S878-L882 PolarHBondContact O-N 2.86Å; Y879-L882 PolarHBondContact O-N 3.26Å; L882-H885 PolarHBondContact O-N 3.41Å; L882-F886 WeakPolarHBondContact O-CB 3.13Å; L882-F886 PolarHBondContact O-N 2.99Å
883M90.2Very high87.3Confident3 Ų347.1 Ų47.12%0.01523%0.234CC..Hα-helixtrans-65.7-47177.5-174.161.479.100111.4F826 L830 Y849 L862 Y879 I880 H885 F886 R887F826-M883 HydrophobicContact CE1-CG 3.95Å; F826-M883 HydrophobicContact CZ-CG 3.51Å; F826-M883 HydrophobicContact CZ-SD 4.06Å; L830-M883 HydrophobicContact CD1-CB 4.33Å; L830-M883 HydrophobicContact CD1-CG 4.2Å; L830-M883 HydrophobicContact CD2-CG 4.17Å; Y849-M883 HydrophobicContact CD2-CE 4.04Å; Y849-M883 HydrophobicContact CD2-SD 3.79Å; Y849-M883 HydrophobicContact CG-CE 4.46Å; Y849-M883 HydrophobicContact CG-SD 4.13Å; L862-M883 HydrophobicContact CD1-CB 4.38Å; L862-M883 HydrophobicContact CD1-CE 3.96Å; L862-M883 HydrophobicContact CD2-SD 4.34Å; Y879-M883 HydrophobicContact CE2-CE 3.7Å; Y879-M883 VanDerWaalsContact O-CB 3.26Å; Y879-M883 WeakPolarHBondContact O-CB 3.36Å; Y879-M883 PolarHBondContact O-N 3.49Å; Y879-M883 VanDerWaalsContact OH-CE 3.27Å; Y879-M883 WeakPolarHBondContact OH-CE 3.28Å; I880-M883 PolarHBondContact O-N 3.25Å; M883-H885 PolarHBondContact O-N 3.42Å; M883-F886 PolarHBondContact O-N 3.2Å; M883-R887 WeakPolarHBondContact O-CG 3.37Å; M883-R887 PolarHBondContact O-N 2.94Å
884A89.3Confident87.9Confident0 Ų049.7 Ų49.70%024%0.243CC..Hα-helixtrans-59.8-46.117500000111.3L819 I880 H881 F886 R887 M888L819-A884 HydrophobicContact CD2-CB 4.23Å; I880-A884 WeakPolarHBondContact O-CB 3.48Å; I880-A884 PolarHBondContact O-N 2.98Å; H881-A884 PolarHBondContact O-N 3.32Å; A884-F886 VanDerWaalsContact C-N 3.34Å; A884-F886 PolarHBondContact O-N 3.2Å; A884-R887 PolarHBondContact O-N 3.25Å; A884-M888 VanDerWaalsContact O-CB 3.28Å; A884-M888 WeakPolarHBondContact O-CB 3.29Å; A884-M888 WeakPolarHBondContact O-CG 3.05Å; A884-M888 PolarHBondContact O-N 2.96Å
885H88.5Confident88.7Confident79 Ų7941.1 Ų41.137%0.36620%0.203SC..Hα-helixtrans-62.1-40176.5178.7-92.4000112.2H881 L882 M883 H889 T890H881-H885 VanDerWaalsContact O-CB 3.23Å; H881-H885 WeakPolarHBondContact O-CB 3.18Å; H881-H885 PolarHBondContact O-N 2.98Å; L882-H885 PolarHBondContact O-N 3.41Å; M883-H885 PolarHBondContact O-N 3.42Å; H885-H889 AromaticContact CE1-CD2 3.73Å; H885-H889 AromaticContact NE2-CD2 3.51Å; H885-H889 WeakPolarHBondContact O-CA 3.23Å; H885-H889 WeakPolarHBondContact O-CB 3.2Å; H885-H889 PolarHBondContact O-N 2.99Å; H885-T890 PolarHBondContact CE1-OG1 3.47Å; H885-T890 PolarHBondContact ND1-OG1 3.22Å; H885-T890 PolarHBondContact O-N 3.08Å; H885-T890 VanDerWaalsContact O-N 3.16Å
886F91Very high89.4Confident13 Ų1339.8 Ų39.86%0.05720%0.197CC..Hα-helixtrans-61-50.8176.8177.1-91.1000111.8Y849 H860 L862 L882 M883 A884 T890 Q891Y849-F886 HydrophobicContact CD1-CD1 4.03Å; Y849-F886 AromaticContact CD1-CE1 3.37Å; Y849-F886 HydrophobicContact CD1-CE1 3.37Å; Y849-F886 HydrophobicContact CD1-CZ 4.14Å; Y849-F886 AromaticContact CE1-CE1 3.96Å; Y849-F886 HydrophobicContact CE1-CE1 3.96Å; Y849-F886 HydrophobicContact CG-CD1 4.35Å; Y849-F886 HydrophobicContact CG-CE1 4.09Å; H860-F886 HydrophobicContact CB-CE2 3.82Å; H860-F886 HydrophobicContact CB-CZ 3.66Å; H860-F886 AromaticContact CG-CZ 3.64Å; L862-F886 HydrophobicContact CD2-CB 3.62Å; L862-F886 HydrophobicContact CD2-CD2 4.2Å; L862-F886 HydrophobicContact CD2-CG 3.86Å; L882-F886 WeakPolarHBondContact O-CB 3.13Å; L882-F886 PolarHBondContact O-N 2.99Å; M883-F886 PolarHBondContact O-N 3.2Å; A884-F886 VanDerWaalsContact C-N 3.34Å; A884-F886 PolarHBondContact O-N 3.2Å; F886-T890 HydrophobicContact CD2-CG2 3.84Å; F886-T890 HydrophobicContact CE2-CG2 4.17Å; F886-T890 PolarHBondContact O-N 3.08Å; F886-Q891 HydrophobicContact CE1-CB 4.13Å; F886-Q891 HydrophobicContact CZ-CB 4.12Å; F886-Q891 WeakPolarHBondContact O-CG 3.25Å; F886-Q891 PolarHBondContact O-N 3.04Å
887R89.6Confident89.8Confident30 Ų3040.2 Ų40.211%0.11321%0.206CC..Hα-helixtrans-66.2-37.4-179.2-67.1-67.3-69.6171.2-14.2112.7L822 F826 Y849 M883 A884 Q891L822-R887 HydrophobicContact CD2-CB 4.19Å; F826-R887 HydrophobicContact CE1-CG 3.86Å; F826-R887 HydrophobicContact CZ-CG 4.14Å; Y849-R887 PolarHBondContact OH-NH1 3.23Å; M883-R887 WeakPolarHBondContact O-CG 3.37Å; M883-R887 PolarHBondContact O-N 2.94Å; A884-R887 PolarHBondContact O-N 3.25Å; R887-Q891 PolarHBondContact O-NE2 3.11Å
888M87.6Confident90.4Very high0 Ų036.4 Ų36.40%019%0.186CC..Hα-helixtrans-86.6-31.4-174.5-62.9-66.8-8900112.8F799 Q803 E818 L819 L822 A884 I892F799-M888 HydrophobicContact CB-CE 3.18Å; F799-M888 HydrophobicContact CB-SD 4.38Å; F799-M888 HydrophobicContact CD1-CE 3.72Å; F799-M888 HydrophobicContact CD1-SD 4.19Å; F799-M888 HydrophobicContact CD2-CE 3.93Å; F799-M888 HydrophobicContact CD2-SD 4.05Å; F799-M888 HydrophobicContact CE2-SD 4.41Å; F799-M888 HydrophobicContact CG-CE 3.34Å; F799-M888 HydrophobicContact CG-SD 3.95Å; Q803-M888 PolarHBondContact NE2-O 3.01Å; E818-M888 VanDerWaalsContact C-CE 3.43Å; E818-M888 HydrophobicContact CB-CE 3.53Å; E818-M888 VanDerWaalsContact O-CE 3.29Å; E818-M888 WeakPolarHBondContact O-CE 3.41Å; L819-M888 HydrophobicContact CD1-CG 3.98Å; L819-M888 HydrophobicContact CD1-SD 3.95Å; L822-M888 HydrophobicContact CB-CE 4.19Å; L822-M888 HydrophobicContact CB-SD 3.45Å; L822-M888 WeakPolarHBondContact CB-SD 3.42Å; L822-M888 HydrophobicContact CD2-CG 4.44Å; L822-M888 HydrophobicContact CD2-SD 3.34Å; L822-M888 WeakPolarHBondContact CD2-SD 3.43Å; L822-M888 HydrophobicContact CG-SD 3.98Å; A884-M888 VanDerWaalsContact O-CB 3.28Å; A884-M888 WeakPolarHBondContact O-CB 3.29Å; A884-M888 WeakPolarHBondContact O-CG 3.05Å; A884-M888 PolarHBondContact O-N 2.96Å; M888-I892 WeakPolarHBondContact O-CD1 3.42Å
889H88.8Confident91.1Very high24 Ų2433.2 Ų33.211%0.11116%0.164CC..THydrogen-bonded Turntrans-127.6-59.2-171.5-179.467000113.2Q803 H808 H885 Q891 I892 K893Q803-H889 PolarHBondContact OE1-ND1 3.09Å; H808-H889 AromaticContact CD2-CE1 3.65Å; H808-H889 AromaticContact CD2-ND1 3.88Å; H808-H889 AromaticContact NE2-CE1 3.81Å; H885-H889 AromaticContact CE1-CD2 3.73Å; H885-H889 AromaticContact NE2-CD2 3.51Å; H885-H889 WeakPolarHBondContact O-CA 3.23Å; H885-H889 WeakPolarHBondContact O-CB 3.2Å; H885-H889 PolarHBondContact O-N 2.99Å; H889-Q891 PolarHBondContact O-N 3.47Å; H889-I892 CarbonylContact O-C 3.23Å; H889-I892 WeakPolarHBondContact O-CG1 3.4Å; H889-I892 PolarHBondContact O-N 3.05Å; H889-I892 VanDerWaalsContact O-N 3.13Å; H889-K893 PolarHBondContact O-N 2.92Å
890T90.1Very high91.4Very high60 Ų6033.2 Ų33.237%0.36817%0.165SC..G310 helixtrans-57.2-45.7-168.3-53.20000112.6H885 F886 I892 K893H885-T890 PolarHBondContact CE1-OG1 3.47Å; H885-T890 PolarHBondContact ND1-OG1 3.22Å; H885-T890 PolarHBondContact O-N 3.08Å; H885-T890 VanDerWaalsContact O-N 3.16Å; F886-T890 HydrophobicContact CD2-CG2 3.84Å; F886-T890 HydrophobicContact CE2-CG2 4.17Å; F886-T890 PolarHBondContact O-N 3.08Å; T890-I892 VanDerWaalsContact C-N 3.26Å; T890-I892 PolarHBondContact O-N 3.12Å; T890-K893 WeakPolarHBondContact O-CB 3.37Å; T890-K893 PolarHBondContact O-N 3.38Å
891Q90.6Very high91.6Very high23 Ų2338.7 Ų38.711%0.10719%0.185CC..G310 helixtrans-68.9-19.3-176.271178.3-0.100114.4P763 F886 R887 H889P763-Q891 HydrophobicContact CB-CB 4.39Å; P763-Q891 HydrophobicContact CB-CG 4.32Å; P763-Q891 HydrophobicContact CG-CG 4.06Å; F886-Q891 HydrophobicContact CE1-CB 4.13Å; F886-Q891 HydrophobicContact CZ-CB 4.12Å; F886-Q891 WeakPolarHBondContact O-CG 3.25Å; F886-Q891 PolarHBondContact O-N 3.04Å; R887-Q891 PolarHBondContact O-NE2 3.11Å; H889-Q891 PolarHBondContact O-N 3.47Å
892I93Very high92Very high0 Ų034.7 Ų34.70%017%0.167CC..G310 helixtrans-115.212.8179.761.7169000113P761 P763 F799 M888 H889 T890 E894 Q895 T896P761-I892 HydrophobicContact CB-CB 4.29Å; P761-I892 HydrophobicContact CB-CG2 4.3Å; P761-I892 VanDerWaalsContact O-CG2 3.31Å; P761-I892 WeakPolarHBondContact O-CG2 3.41Å; P763-I892 HydrophobicContact CG-CG2 4.01Å; F799-I892 HydrophobicContact CE2-CD1 3.95Å; M888-I892 WeakPolarHBondContact O-CD1 3.42Å; H889-I892 CarbonylContact O-C 3.23Å; H889-I892 WeakPolarHBondContact O-CG1 3.4Å; H889-I892 PolarHBondContact O-N 3.05Å; H889-I892 VanDerWaalsContact O-N 3.13Å; T890-I892 VanDerWaalsContact C-N 3.26Å; T890-I892 PolarHBondContact O-N 3.12Å; I892-E894 PolarHBondContact O-N 2.95Å; I892-Q895 VanDerWaalsContact CA-OE1 3.27Å; I892-Q895 PolarHBondContact O-N 3.45Å; I892-Q895 PolarHBondContact O-OE1 3.39Å; I892-T896 VanDerWaalsContact O-CB 3.25Å; I892-T896 WeakPolarHBondContact O-CB 3.39Å; I892-T896 PolarHBondContact O-N 3.07Å; I892-T896 PolarHBondContact O-OG1 3.45Å
893K93.1Very high92.3Very high122 Ų12232.6 Ų32.653%0.5316%0.155SC..Hα-helixtrans-60.9-45.7-166.9-178.5179.1178.9-179.40112.4H889 T890 A897H889-K893 PolarHBondContact O-N 2.92Å; T890-K893 WeakPolarHBondContact O-CB 3.37Å; T890-K893 PolarHBondContact O-N 3.38Å; K893-A897 VanDerWaalsContact O-CB 3.24Å; K893-A897 WeakPolarHBondContact O-CB 3.09Å; K893-A897 PolarHBondContact O-N 3.14Å
894E94.8Very high92.4Very high124 Ų12437.3 Ų37.358%0.57917%0.173SC*.Hα-helixtrans-70.5-42.9-176.1-61.3-170165.700111.8L772 I892 A897 A898L772-E894 HydrophobicContact CD1-CB 4.49Å; L772-E894 HydrophobicContact CD2-CB 3.77Å; I892-E894 PolarHBondContact O-N 2.95Å; E894-A897 PolarHBondContact O-N 2.88Å; E894-A898 WeakPolarHBondContact O-CB 3.49Å; E894-A898 PolarHBondContact O-N 2.98Å
895Q95.5Very high92.5Very high10 Ų1038.9 Ų38.95%0.04718%0.184CC..Hα-helixtrans-61.2-48.7176.7-60.684.2-12.700110.7P761 S765 F775 I892 A898 F899P761-Q895 HydrophobicContact CB-CB 3.81Å; P761-Q895 HydrophobicContact CB-CG 4.46Å; S765-Q895 WeakPolarHBondContact OG-CG 3.16Å; S765-Q895 PolarHBondContact OG-NE2 3.34Å; S765-Q895 VanDerWaalsContact OG-NE2 3.12Å; F775-Q895 HydrophobicContact CD1-CB 4.42Å; F775-Q895 HydrophobicContact CD2-CB 3.76Å; F775-Q895 HydrophobicContact CD2-CG 3.88Å; F775-Q895 HydrophobicContact CE1-CB 4.2Å; F775-Q895 HydrophobicContact CE2-CB 3.55Å; F775-Q895 HydrophobicContact CE2-CG 3.31Å; F775-Q895 HydrophobicContact CG-CB 4.2Å; F775-Q895 HydrophobicContact CZ-CB 3.75Å; F775-Q895 HydrophobicContact CZ-CG 3.75Å; I892-Q895 VanDerWaalsContact CA-OE1 3.27Å; I892-Q895 PolarHBondContact O-N 3.45Å; I892-Q895 PolarHBondContact O-OE1 3.39Å; Q895-A898 PolarHBondContact O-N 3.38Å; Q895-F899 WeakPolarHBondContact O-CB 3.35Å; Q895-F899 PolarHBondContact O-N 3.29Å
896T94.8Very high92.7Very high4 Ų435.1 Ų35.13%0.02517%0.166CC..Hα-helixtrans-64-43.8179.1-57.30000110.7F800 Q803 I892 A898 F899 I900F800-T896 HydrophobicContact CD2-CG2 4.32Å; F800-T896 HydrophobicContact CE2-CG2 4.09Å; Q803-T896 HydrophobicContact CB-CG2 3.88Å; I892-T896 VanDerWaalsContact O-CB 3.25Å; I892-T896 WeakPolarHBondContact O-CB 3.39Å; I892-T896 PolarHBondContact O-N 3.07Å; I892-T896 PolarHBondContact O-OG1 3.45Å; T896-A898 VanDerWaalsContact C-N 3.32Å; T896-A898 PolarHBondContact O-N 2.81Å; T896-F899 PolarHBondContact O-N 2.93Å; T896-I900 HydrophobicContact CG2-CD1 3.76Å; T896-I900 HydrophobicContact CG2-CG1 4.36Å; T896-I900 WeakPolarHBondContact O-CB 3.21Å; T896-I900 WeakPolarHBondContact O-CG1 3.47Å; T896-I900 PolarHBondContact O-N 3.03Å
897A95.1Very high92.8Very high42 Ų4234.5 Ų34.535%0.34716%0.164SC..Hα-helixtrans-61-41.4175.700000112K893 E894 I900 R901K893-A897 VanDerWaalsContact O-CB 3.24Å; K893-A897 WeakPolarHBondContact O-CB 3.09Å; K893-A897 PolarHBondContact O-N 3.14Å; E894-A897 PolarHBondContact O-N 2.88Å; A897-I900 PolarHBondContact O-N 3.38Å; A897-R901 WeakPolarHBondContact O-CG 3.22Å; A897-R901 PolarHBondContact O-N 3.2Å
898A95.8Very high92.8Very high0 Ų035.7 Ų35.70%017%0.173CC..Hα-helixtrans-65-47177.100000112.3L772 F775 E776 E894 Q895 T896 I900 R901 G902L772-A898 HydrophobicContact CB-CB 4.25Å; L772-A898 HydrophobicContact CD2-CB 4.44Å; L772-A898 VanDerWaalsContact O-CB 3.26Å; L772-A898 WeakPolarHBondContact O-CB 3.41Å; F775-A898 HydrophobicContact CB-CB 4.01Å; E776-A898 VanDerWaalsContact CA-O 3.24Å; E776-A898 WeakPolarHBondContact CA-O 3.44Å; E776-A898 HydrophobicContact CB-CB 4.44Å; E776-A898 WeakPolarHBondContact CB-O 3.17Å; E894-A898 WeakPolarHBondContact O-CB 3.49Å; E894-A898 PolarHBondContact O-N 2.98Å; Q895-A898 PolarHBondContact O-N 3.38Å; T896-A898 VanDerWaalsContact C-N 3.32Å; T896-A898 PolarHBondContact O-N 2.81Å; A898-I900 VanDerWaalsContact C-N 3.32Å; A898-I900 PolarHBondContact O-N 3.48Å; A898-R901 PolarHBondContact O-N 3.12Å; A898-G902 PolarHBondContact O-N 3.26Å; A898-G902 VanDerWaalsContact O-N 3.12Å
899F95.7Very high92.8Very high2 Ų237.6 Ų37.61%0.00919%0.185CC..Hα-helixtrans-56.6-46.2173.9-177.3-85.7000112F743 F750 F775 V778 L782 F800 V804 Q895 T896 R901 G902 F903F743-F899 HydrophobicContact CZ-CE2 4.48Å; F750-F899 HydrophobicContact CZ-CD2 4.19Å; F750-F899 HydrophobicContact CZ-CE2 4.23Å; F775-F899 HydrophobicContact CB-CB 4.3Å; F775-F899 WeakPolarHBondContact O-CA 3.34Å; V778-F899 HydrophobicContact CG1-CD2 4.38Å; V778-F899 HydrophobicContact CG1-CE2 3.99Å; L782-F899 HydrophobicContact CD2-CZ 3.66Å; F800-F899 HydrophobicContact CE1-CE1 4.28Å; F800-F899 HydrophobicContact CE1-CZ 4.31Å; F800-F899 HydrophobicContact CE2-CD1 4.46Å; F800-F899 AromaticContact CZ-CD1 3.75Å; F800-F899 HydrophobicContact CZ-CD1 3.75Å; F800-F899 HydrophobicContact CZ-CD2 4.3Å; F800-F899 AromaticContact CZ-CE1 3.84Å; F800-F899 HydrophobicContact CZ-CE1 3.84Å; F800-F899 HydrophobicContact CZ-CE2 4.34Å; F800-F899 AromaticContact CZ-CG 3.98Å; F800-F899 HydrophobicContact CZ-CG 3.98Å; F800-F899 HydrophobicContact CZ-CZ 4.11Å; V804-F899 HydrophobicContact CG1-CE1 4.37Å; V804-F899 HydrophobicContact CG2-CD1 3.89Å; V804-F899 HydrophobicContact CG2-CE1 3.78Å; Q895-F899 WeakPolarHBondContact O-CB 3.35Å; Q895-F899 PolarHBondContact O-N 3.29Å; T896-F899 PolarHBondContact O-N 2.93Å; F899-R901 PolarHBondContact O-N 3.06Å; F899-G902 PolarHBondContact O-N 2.84Å; F899-F903 HydrophobicContact CE1-CB 4.41Å; F899-F903 WeakPolarHBondContact O-CB 3.3Å; F899-F903 PolarHBondContact O-N 3.49Å
900I94.4Very high92.8Very high17 Ų1742.9 Ų42.99%0.08721%0.209CC..Hα-helixtrans-61.1-44178.3-73172.5000111.3Q803 V804 T896 A897 A898 G902 F903 R904Q803-I900 WeakPolarHBondContact O-CD1 3.39Å; V804-I900 HydrophobicContact CB-CG1 4.44Å; V804-I900 HydrophobicContact CG2-CG1 4.27Å; T896-I900 HydrophobicContact CG2-CD1 3.76Å; T896-I900 HydrophobicContact CG2-CG1 4.36Å; T896-I900 WeakPolarHBondContact O-CB 3.21Å; T896-I900 WeakPolarHBondContact O-CG1 3.47Å; T896-I900 PolarHBondContact O-N 3.03Å; A897-I900 PolarHBondContact O-N 3.38Å; A898-I900 VanDerWaalsContact C-N 3.32Å; A898-I900 PolarHBondContact O-N 3.48Å; I900-G902 VanDerWaalsContact C-N 3.29Å; I900-G902 PolarHBondContact O-N 2.78Å; I900-F903 PolarHBondContact O-N 3.39Å; I900-R904 VanDerWaalsContact CG2-CD 3.46Å; I900-R904 HydrophobicContact CG2-CG 3.95Å; I900-R904 VanDerWaalsContact CG2-NE 3.26Å; I900-R904 VanDerWaalsContact O-CB 3.25Å; I900-R904 WeakPolarHBondContact O-CB 3.43Å; I900-R904 VanDerWaalsContact O-CG 3.23Å; I900-R904 WeakPolarHBondContact O-CG 3.17Å; I900-R904 PolarHBondContact O-N 3.14Å
901R93.8Very high92.8Very high124 Ų12441.2 Ų41.247%0.46820%0.196SC..Hα-helixtrans-56.9-45.5175.9-74.9-169.3-53.2-91.24111.4E776 A897 A898 F899 S905E776-R901 HydrophobicContact CG-CB 4.36Å; E776-R901 IonicContact OE2-CZ 3.56Å; E776-R901 IonicContact OE2-NE 3.93Å; E776-R901 PolarHBondContact OE2-NE 2.89Å; E776-R901 VanDerWaalsContact OE2-NE 3.13Å; E776-R901 IonicContact OE2-NH2 2.99Å; E776-R901 PolarHBondContact OE2-NH2 2.95Å; A897-R901 WeakPolarHBondContact O-CG 3.22Å; A897-R901 PolarHBondContact O-N 3.2Å; A898-R901 PolarHBondContact O-N 3.12Å; F899-R901 PolarHBondContact O-N 3.06Å; R901-S905 PolarHBondContact O-N 3.24Å
902G92.8Very high92.7Very high0 Ų040.4 Ų40.40%019%0.193CC..Hα-helixtrans-59.9-53.2176.800000112.4E776 K780 A898 F899 I900 R904 S905E776-G902 WeakPolarHBondContact O-CA 3.3Å; K780-G902 WeakPolarHBondContact CA-O 3.25Å; A898-G902 PolarHBondContact O-N 3.26Å; A898-G902 VanDerWaalsContact O-N 3.12Å; F899-G902 PolarHBondContact O-N 2.84Å; I900-G902 VanDerWaalsContact C-N 3.29Å; I900-G902 PolarHBondContact O-N 2.78Å; G902-R904 PolarHBondContact O-N 3.26Å; G902-S905 WeakPolarHBondContact O-CB 3.35Å; G902-S905 PolarHBondContact O-N 3.11Å; G902-S905 PolarHBondContact O-OG 3.09Å
903F93.4Very high92.4Very high7 Ų744.9 Ų44.93%0.03121%0.214CC..Hα-helixtrans-62.3-45.5-177.9-174.4-85.1000112.3G779 L782 V786 V804 F899 I900 S905 I906 I907 L912G779-F903 VanDerWaalsContact C-N 3.32Å; G779-F903 WeakPolarHBondContact O-CA 3.23Å; G779-F903 PolarHBondContact O-N 3.08Å; L782-F903 HydrophobicContact CB-CD2 4.39Å; L782-F903 HydrophobicContact CD2-CD2 4.39Å; L782-F903 HydrophobicContact CD2-CE2 4.37Å; L782-F903 HydrophobicContact CG-CD2 4.47Å; L782-F903 HydrophobicContact CG-CE2 4.34Å; V786-F903 HydrophobicContact CG2-CE2 4.38Å; V804-F903 HydrophobicContact CG1-CD1 4.22Å; V804-F903 HydrophobicContact CG1-CG 4.46Å; F899-F903 HydrophobicContact CE1-CB 4.41Å; F899-F903 WeakPolarHBondContact O-CB 3.3Å; F899-F903 PolarHBondContact O-N 3.49Å; I900-F903 PolarHBondContact O-N 3.39Å; F903-S905 VanDerWaalsContact C-N 3.25Å; F903-S905 PolarHBondContact O-N 2.89Å; F903-I906 PolarHBondContact O-N 2.89Å; F903-I906 VanDerWaalsContact O-N 3.17Å; F903-I907 HydrophobicContact CD1-CB 4.35Å; F903-I907 HydrophobicContact CE1-CB 3.78Å; F903-I907 HydrophobicContact CE1-CG1 4.06Å; F903-I907 HydrophobicContact CE1-CG2 4.04Å; F903-I907 HydrophobicContact CZ-CB 4.22Å; F903-I907 HydrophobicContact CZ-CG1 3.98Å; F903-I907 HydrophobicContact CZ-CG2 4.46Å; F903-I907 PolarHBondContact O-N 2.73Å; F903-L912 HydrophobicContact CE1-CD1 3.47Å; F903-L912 VanDerWaalsContact CE1-CD1 3.47Å; F903-L912 HydrophobicContact CZ-CD1 3.93Å
904R92.1Very high92.3Very high102 Ų10239.5 Ų39.539%0.38519%0.19SC..Hα-helixtrans-70-19.2178.8-66.8-175.2177.5176.94.6113.8V804 I900 G902 I906 I907 P909V804-R904 PolarHBondContact O-NH2 3.31Å; I900-R904 VanDerWaalsContact CG2-CD 3.46Å; I900-R904 HydrophobicContact CG2-CG 3.95Å; I900-R904 VanDerWaalsContact CG2-NE 3.26Å; I900-R904 VanDerWaalsContact O-CB 3.25Å; I900-R904 WeakPolarHBondContact O-CB 3.43Å; I900-R904 VanDerWaalsContact O-CG 3.23Å; I900-R904 WeakPolarHBondContact O-CG 3.17Å; I900-R904 PolarHBondContact O-N 3.14Å; G902-R904 PolarHBondContact O-N 3.26Å; R904-I906 PolarHBondContact O-N 3.08Å; R904-I907 WeakPolarHBondContact CA-O 3.23Å; R904-P909 HydrophobicContact CB-CG 4.37Å; R904-P909 HydrophobicContact CG-CG 3.82Å
905S91.8Very high92.1Very high33 Ų3333.9 Ų33.923%0.23116%0.164CC..Hα-helixtrans-64.8-23.4172.677.30000112.4V703 R901 G902 F903V703-S905 WeakPolarHBondContact CG1-O 3.42Å; R901-S905 PolarHBondContact O-N 3.24Å; G902-S905 WeakPolarHBondContact O-CB 3.35Å; G902-S905 PolarHBondContact O-N 3.11Å; G902-S905 PolarHBondContact O-OG 3.09Å; F903-S905 VanDerWaalsContact C-N 3.25Å; F903-S905 PolarHBondContact O-N 2.89Å
906I92.7Very high91.8Very high0 Ų034.1 Ų34.10%017%0.167CC..Hα-helixtrans-104.8-50.9178.3-52.7-57.7000111.4I706 K707 K780 Y787 F903 R904I706-I906 HydrophobicContact CD1-CD1 4.28Å; I706-I906 HydrophobicContact CG1-CD1 4.45Å; I706-I906 HydrophobicContact CG2-CD1 3.51Å; K707-I906 WeakPolarHBondContact CE-O 3.41Å; K707-I906 HydrophobicContact CG-CD1 4.28Å; K707-I906 HydrophobicContact CG-CG2 4.38Å; K707-I906 PolarHBondContact NZ-O 2.96Å; K707-I906 VanDerWaalsContact NZ-O 3.16Å; K780-I906 HydrophobicContact CG-CD1 4.05Å; K780-I906 HydrophobicContact CG-CG1 3.92Å; Y787-I906 HydrophobicContact CD2-CG2 4.26Å; Y787-I906 HydrophobicContact CG-CG2 3.97Å; F903-I906 PolarHBondContact O-N 2.89Å; F903-I906 VanDerWaalsContact O-N 3.17Å; R904-I906 PolarHBondContact O-N 3.08Å
907I93.2Very high91.5Very high1 Ų134.7 Ų34.71%0.00517%0.17CC..SBendtrans-98.7123.6-176.1-58.3-60.7000110F657 G783 V786 Y787 F903 R904 P909 W911 L912F657-I907 HydrophobicContact CZ-CD1 4.33Å; G783-I907 WeakPolarHBondContact O-CD1 3.41Å; V786-I907 HydrophobicContact CB-CD1 4.32Å; V786-I907 HydrophobicContact CB-CG1 4.48Å; V786-I907 HydrophobicContact CG1-CD1 4.1Å; V786-I907 HydrophobicContact CG1-CG1 4.42Å; Y787-I907 HydrophobicContact CD2-CD1 4.04Å; Y787-I907 HydrophobicContact CG-CD1 4.46Å; F903-I907 HydrophobicContact CD1-CB 4.35Å; F903-I907 HydrophobicContact CE1-CB 3.78Å; F903-I907 HydrophobicContact CE1-CG1 4.06Å; F903-I907 HydrophobicContact CE1-CG2 4.04Å; F903-I907 HydrophobicContact CZ-CB 4.22Å; F903-I907 HydrophobicContact CZ-CG1 3.98Å; F903-I907 HydrophobicContact CZ-CG2 4.46Å; F903-I907 PolarHBondContact O-N 2.73Å; R904-I907 WeakPolarHBondContact CA-O 3.23Å; I907-P909 WeakPolarHBondContact O-CD 3.22Å; I907-W911 HydrophobicContact CG2-CE3 4.38Å; I907-L912 HydrophobicContact CG2-CD1 3.91Å; I907-L912 HydrophobicContact CG2-CD2 4.17Å; I907-L912 HydrophobicContact CG2-CG 3.82Å
908N90.6Very high91.2Very high55 Ų5535.3 Ų35.329%0.29417%0.171SC..  trans-66.3125.9172-178.2-19.3000109.8E910 W911N908-E910 PolarHBondContact O-N 3.48Å; N908-E910 WeakPolarHBondContact OD1-CB 3.23Å; N908-E910 PolarHBondContact OD1-N 3.22Å; N908-W911 HydrophobicContact CB-CD2 3.69Å; N908-W911 HydrophobicContact CB-CE3 4.17Å; N908-W911 HydrophobicContact CB-CG 4.05Å; N908-W911 HydrophobicContact CB-CH2 4.34Å; N908-W911 HydrophobicContact CB-CZ2 3.87Å; N908-W911 HydrophobicContact CB-CZ3 4.46Å; N908-W911 WeakPolarHBondContact O-CB 3.41Å; N908-W911 PolarHBondContact O-N 3.26Å; N908-W911 VanDerWaalsContact O-N 3.12Å
909P87.4Confident90.9Very high40 Ų4035.9 Ų35.926%0.2617%0.174SC..Hα-helixtrans-51.9-36.1178-27.934.6000114.7R904 I907 W911 L912 H913R904-P909 HydrophobicContact CB-CG 4.37Å; R904-P909 HydrophobicContact CG-CG 3.82Å; I907-P909 WeakPolarHBondContact O-CD 3.22Å; P909-W911 PolarHBondContact O-N 2.98Å; P909-L912 PolarHBondContact O-N 2.83Å; P909-H913 PolarHBondContact O-CD2 3.16Å; P909-H913 PolarHBondContact O-N 3.07Å
910E87.4Confident90.7Very high134 Ų13436 Ų3663%0.62618%0.175SC*.Hα-helixtrans-61.5-29.7-177.7-64.8180162.300112.6N908 L912 H913N908-E910 PolarHBondContact O-N 3.48Å; N908-E910 WeakPolarHBondContact OD1-CB 3.23Å; N908-E910 PolarHBondContact OD1-N 3.22Å; E910-L912 VanDerWaalsContact C-N 3.25Å; E910-L912 PolarHBondContact O-N 2.68Å; E910-H913 PolarHBondContact O-N 3.02Å
911W90Very high90.6Very high25 Ų2536.4 Ų36.410%0.09518%0.176CC..Hα-helixtrans-71.8-25.3178.6-53.2-12.9000112.1F657 I660 V661 E664 Y787 I907 N908 P909 M914F657-W911 HydrophobicContact CD2-CB 3.91Å; F657-W911 HydrophobicContact CE2-CB 3.98Å; F657-W911 HydrophobicContact CE2-CE3 4.06Å; I660-W911 HydrophobicContact CG2-CD2 3.77Å; I660-W911 HydrophobicContact CG2-CG 4.02Å; I660-W911 HydrophobicContact CG2-CH2 4.48Å; I660-W911 HydrophobicContact CG2-CZ2 3.75Å; V661-W911 HydrophobicContact CG2-CE3 4.03Å; V661-W911 HydrophobicContact CG2-CZ3 3.76Å; E664-W911 HydrophobicContact CB-CH2 4.17Å; E664-W911 HydrophobicContact CB-CZ2 4.48Å; E664-W911 VanDerWaalsContact CD-CH2 3.48Å; E664-W911 HydrophobicContact CG-CH2 4.31Å; E664-W911 WeakPolarHBondContact OE1-CH2 3.49Å; Y787-W911 HydrophobicContact CD2-CZ3 4.48Å; Y787-W911 HydrophobicContact CE2-CZ3 4.32Å; I907-W911 HydrophobicContact CG2-CE3 4.38Å; N908-W911 HydrophobicContact CB-CD2 3.69Å; N908-W911 HydrophobicContact CB-CE3 4.17Å; N908-W911 HydrophobicContact CB-CG 4.05Å; N908-W911 HydrophobicContact CB-CH2 4.34Å; N908-W911 HydrophobicContact CB-CZ2 3.87Å; N908-W911 HydrophobicContact CB-CZ3 4.46Å; N908-W911 WeakPolarHBondContact O-CB 3.41Å; N908-W911 PolarHBondContact O-N 3.26Å; N908-W911 VanDerWaalsContact O-N 3.12Å; P909-W911 PolarHBondContact O-N 2.98Å; W911-M914 WeakPolarHBondContact O-CE 3.44Å
912L89.7Confident90.4Very high7 Ų733.8 Ų33.84%0.03717%0.166CC..Hα-helixtrans-86.9-18.3-179.7-65.3-173.3000113.5F657 L805 F903 I907 P909 E910 M914 F915 L923F657-L912 HydrophobicContact CE2-CD2 4.2Å; L805-L912 HydrophobicContact CD2-CB 3.76Å; L805-L912 HydrophobicContact CD2-CD1 3.88Å; L805-L912 HydrophobicContact CD2-CG 4.43Å; F903-L912 HydrophobicContact CE1-CD1 3.47Å; F903-L912 VanDerWaalsContact CE1-CD1 3.47Å; F903-L912 HydrophobicContact CZ-CD1 3.93Å; I907-L912 HydrophobicContact CG2-CD1 3.91Å; I907-L912 HydrophobicContact CG2-CD2 4.17Å; I907-L912 HydrophobicContact CG2-CG 3.82Å; P909-L912 PolarHBondContact O-N 2.83Å; E910-L912 VanDerWaalsContact C-N 3.25Å; E910-L912 PolarHBondContact O-N 2.68Å; L912-M914 PolarHBondContact O-N 3.15Å; L912-F915 HydrophobicContact CD2-CD2 4.36Å; L912-F915 PolarHBondContact O-N 2.81Å; L912-L923 HydrophobicContact CD2-CD2 4.12Å
913H86.6Confident90.2Very high94 Ų9434.1 Ų34.144%0.43517%0.168SC..THydrogen-bonded Turntrans-57.8-19.3175.2-66.7170.2000113.3P909 E910 F915P909-H913 PolarHBondContact O-CD2 3.16Å; P909-H913 PolarHBondContact O-N 3.07Å; E910-H913 PolarHBondContact O-N 3.02Å; H913-F915 PolarHBondContact O-N 3.01Å
914M90.1Very high90.1Very high8 Ų834 Ų344%0.03917%0.168CC..THydrogen-bonded Turntrans-70.6-15.4175.7-64.6-174.2-71.400113.5L641 P645 R653 L656 F657 I660 W911 L912L641-M914 HydrophobicContact CD1-SD 4.21Å; L641-M914 HydrophobicContact CD2-CG 4.18Å; L641-M914 HydrophobicContact CD2-SD 3.81Å; P645-M914 HydrophobicContact CB-CB 4.27Å; R653-M914 VanDerWaalsContact CD-O 3.32Å; R653-M914 WeakPolarHBondContact CD-O 3.29Å; R653-M914 PolarHBondContact NH1-O 2.68Å; L656-M914 HydrophobicContact CB-SD 4.39Å; L656-M914 HydrophobicContact CD1-SD 4.4Å; F657-M914 HydrophobicContact CB-CE 4.22Å; I660-M914 HydrophobicContact CD1-CE 4.17Å; W911-M914 WeakPolarHBondContact O-CE 3.44Å; L912-M914 PolarHBondContact O-N 3.15Å
915F91.1Very high89.7Confident6 Ų629.2 Ų29.23%0.02615%0.15CC..SBendtrans-118.7141.9-169.8-57.3-76.7000111.8R653 V654 F657 L912 H913 E919 V920 L923R653-F915 HydrophobicContact CB-CE1 3.8Å; R653-F915 HydrophobicContact CB-CZ 4.19Å; V654-F915 HydrophobicContact CG2-CE1 3.84Å; V654-F915 HydrophobicContact CG2-CZ 4.35Å; F657-F915 HydrophobicContact CB-CE2 3.99Å; F657-F915 HydrophobicContact CB-CZ 3.84Å; F657-F915 HydrophobicContact CD2-CE2 4.14Å; F657-F915 HydrophobicContact CG-CE2 4.18Å; F657-F915 HydrophobicContact CG-CZ 4.37Å; L912-F915 HydrophobicContact CD2-CD2 4.36Å; L912-F915 PolarHBondContact O-N 2.81Å; H913-F915 PolarHBondContact O-N 3.01Å; F915-E919 WeakPolarHBondContact CA-OE2 3.48Å; F915-E919 HydrophobicContact CB-CB 3.94Å; F915-E919 HydrophobicContact CD1-CB 4.21Å; F915-V920 HydrophobicContact CB-CG2 3.48Å; F915-V920 VanDerWaalsContact CB-CG2 3.48Å; F915-V920 HydrophobicContact CG-CG2 4.36Å; F915-L923 HydrophobicContact CE2-CD2 4.32Å
916S89.1Confident89.3Confident16 Ų1627.7 Ų27.711%0.11214%0.14CC..  trans-77.6167.3167.9640000112E919 V920S916-E919 PolarHBondContact N-OE2 3.5Å; S916-E919 WeakPolarHBondContact O-CA 3.45Å; S916-E919 WeakPolarHBondContact O-CB 3.49Å; S916-E919 PolarHBondContact O-N 3.11Å; S916-E919 VanDerWaalsContact OG-CG 3.29Å; S916-E919 WeakPolarHBondContact OG-CG 3.32Å; S916-E919 PolarHBondContact OG-OE2 2.87Å; S916-V920 PolarHBondContact O-N 3.16Å
917T88.9Confident88.7Confident15 Ų1529.8 Ų29.89%0.09215%0.151CC..Hα-helixtrans-52.5-48179.4-55.10000113.4S798 L801 S802 E919 V920 Q921S798-T917 WeakPolarHBondContact O-CG2 3.46Å; L801-T917 HydrophobicContact CB-CG2 3.53Å; L801-T917 HydrophobicContact CD1-CG2 4.42Å; S802-T917 WeakPolarHBondContact OG-CG2 3.4Å; S802-T917 PolarHBondContact OG-OG1 2.8Å; T917-E919 VanDerWaalsContact C-N 3.29Å; T917-E919 PolarHBondContact O-N 2.98Å; T917-V920 PolarHBondContact O-N 2.8Å; T917-Q921 PolarHBondContact O-N 2.89Å; T917-Q921 VanDerWaalsContact O-N 3.15Å
918P88.6Confident87.8Confident55 Ų5535 Ų3536%0.35718%0.178SC..Hα-helixtrans-65.4-29.1175.3-20.833.8000113.7R922P918-R922 WeakPolarHBondContact O-CG 3.34Å; P918-R922 PolarHBondContact O-N 3.15Å; P918-R922 VanDerWaalsContact O-N 3.14Å
919E90.6Very high87.2Confident13 Ų1334.9 Ų34.96%0.06119%0.186CC..Hα-helixtrans-72.9-38.4178-70.6177.1149.300112.4H650 R653 F915 S916 T917 Q921 R922 L923H650-E919 IonicContact CD2-OE1 2.87Å; H650-E919 PolarHBondContact CD2-OE1 3.27Å; H650-E919 IonicContact CG-OE1 2.8Å; R653-E919 IonicContact CZ-OE1 2.61Å; R653-E919 IonicContact CZ-OE2 3.65Å; R653-E919 IonicContact NH1-OE1 2.66Å; R653-E919 IonicContact NH1-OE2 3.15Å; R653-E919 PolarHBondContact NH1-OE2 2.83Å; R653-E919 VanDerWaalsContact NH2-CD 3.35Å; R653-E919 IonicContact NH2-OE1 3.71Å; R653-E919 PolarHBondContact NH2-OE1 3.17Å; R653-E919 IonicContact NH2-OE2 2.68Å; R653-E919 PolarHBondContact NH2-OE2 3.31Å; F915-E919 WeakPolarHBondContact CA-OE2 3.48Å; F915-E919 HydrophobicContact CB-CB 3.94Å; F915-E919 HydrophobicContact CD1-CB 4.21Å; S916-E919 PolarHBondContact N-OE2 3.5Å; S916-E919 WeakPolarHBondContact O-CA 3.45Å; S916-E919 WeakPolarHBondContact O-CB 3.49Å; S916-E919 PolarHBondContact O-N 3.11Å; S916-E919 VanDerWaalsContact OG-CG 3.29Å; S916-E919 WeakPolarHBondContact OG-CG 3.32Å; S916-E919 PolarHBondContact OG-OE2 2.87Å; T917-E919 VanDerWaalsContact C-N 3.29Å; T917-E919 PolarHBondContact O-N 2.98Å; E919-Q921 VanDerWaalsContact C-N 3.33Å; E919-R922 CarbonylContact O-C 3.55Å; E919-R922 WeakPolarHBondContact O-CB 3.13Å; E919-R922 PolarHBondContact O-N 3.39Å; E919-R922 VanDerWaalsContact O-N 3.14Å; E919-R922 IonicContact OE1-NH2 2.83Å; E919-L923 PolarHBondContact O-N 3.29Å
920V91.3Very high86.8Confident5 Ų539.9 Ų39.93%0.0321%0.205CC..Hα-helixtrans-67-37.8173.7176.60000111.1L805 F915 S916 T917 R922 L923 I924L805-V920 HydrophobicContact CD1-CB 4.3Å; L805-V920 HydrophobicContact CD1-CG2 3.88Å; L805-V920 HydrophobicContact CD2-CB 4.4Å; L805-V920 HydrophobicContact CD2-CG1 4.27Å; L805-V920 HydrophobicContact CD2-CG2 3.72Å; L805-V920 HydrophobicContact CG-CG2 4.39Å; F915-V920 HydrophobicContact CB-CG2 3.48Å; F915-V920 VanDerWaalsContact CB-CG2 3.48Å; F915-V920 HydrophobicContact CG-CG2 4.36Å; S916-V920 PolarHBondContact O-N 3.16Å; T917-V920 PolarHBondContact O-N 2.8Å; V920-R922 VanDerWaalsContact C-N 3.26Å; V920-R922 PolarHBondContact O-N 3.3Å; V920-L923 WeakPolarHBondContact O-CB 3.47Å; V920-L923 PolarHBondContact O-N 3.18Å; V920-L923 VanDerWaalsContact O-N 3.08Å; V920-I924 HydrophobicContact CG1-CD1 4.04Å; V920-I924 WeakPolarHBondContact O-CG1 3.44Å; V920-I924 PolarHBondContact O-N 2.98Å
921Q91.1Very high86.6Confident25 Ų2534.4 Ų34.412%0.11718%0.18CC..Hα-helixtrans-57-41.9170.2-178.863.167.400111.5V794 L801 T917 E919 I924 S925V794-Q921 PolarHBondContact O-NE2 3.27Å; L801-Q921 HydrophobicContact CD1-CB 3.74Å; L801-Q921 HydrophobicContact CD1-CG 4.43Å; T917-Q921 PolarHBondContact O-N 2.89Å; T917-Q921 VanDerWaalsContact O-N 3.15Å; E919-Q921 VanDerWaalsContact C-N 3.33Å; Q921-I924 PolarHBondContact O-N 2.92Å; Q921-S925 PolarHBondContact NE2-OG 2.98Å; Q921-S925 PolarHBondContact O-N 3.16Å
922R89.5Confident86.6Confident68 Ų6837.4 Ų37.426%0.25720%0.198SC..Hα-helixtrans-68.4-33.9174.3-71.8-172.5-73.2176.3-6.9112.9P918 E919 V920 I924 G926 L984P918-R922 WeakPolarHBondContact O-CG 3.34Å; P918-R922 PolarHBondContact O-N 3.15Å; P918-R922 VanDerWaalsContact O-N 3.14Å; E919-R922 CarbonylContact O-C 3.55Å; E919-R922 WeakPolarHBondContact O-CB 3.13Å; E919-R922 PolarHBondContact O-N 3.39Å; E919-R922 VanDerWaalsContact O-N 3.14Å; E919-R922 IonicContact OE1-NH2 2.83Å; V920-R922 VanDerWaalsContact C-N 3.26Å; V920-R922 PolarHBondContact O-N 3.3Å; R922-I924 VanDerWaalsContact C-N 3.26Å; R922-I924 PolarHBondContact O-N 3.49Å; R922-G926 WeakPolarHBondContact CA-O 3.21Å; R922-G926 CarbonylContact O-C 3.54Å; R922-G926 VanDerWaalsContact O-CA 3.3Å; R922-G926 WeakPolarHBondContact O-CA 3.37Å; R922-G926 PolarHBondContact O-N 3.03Å; R922-L984 HydrophobicContact CB-CD1 4.33Å; R922-L984 HydrophobicContact CB-CD2 4.14Å; R922-L984 WeakPolarHBondContact O-CD1 3.36Å
923L90.1Very high86.5Confident8 Ų838.1 Ų38.14%0.04220%0.202CC..Hα-helixtrans-64.4-33.9175-174.263.8000111.9V654 F657 V786 L912 F915 E919 V920 L984V654-L923 HydrophobicContact CG1-CD1 4.4Å; F657-L923 HydrophobicContact CD1-CD1 4.33Å; F657-L923 HydrophobicContact CD1-CD2 4.4Å; F657-L923 HydrophobicContact CE1-CD1 4.41Å; F657-L923 HydrophobicContact CE1-CD2 4.19Å; F657-L923 HydrophobicContact CZ-CD2 4.31Å; V786-L923 HydrophobicContact CG1-CD2 4.02Å; V786-L923 HydrophobicContact CG1-CG 4.24Å; L912-L923 HydrophobicContact CD2-CD2 4.12Å; F915-L923 HydrophobicContact CE2-CD2 4.32Å; E919-L923 PolarHBondContact O-N 3.29Å; V920-L923 WeakPolarHBondContact O-CB 3.47Å; V920-L923 PolarHBondContact O-N 3.18Å; V920-L923 VanDerWaalsContact O-N 3.08Å; L923-L984 HydrophobicContact CB-CD1 4.43Å; L923-L984 HydrophobicContact CD1-CD1 4.27Å
924I89.6Confident86.7Confident4 Ų439.6 Ų39.62%0.02121%0.213CC..Hα-helixtrans-78.6-49.7176.6-65.2163.5000111L782 V786 V791 V792 F796 L801 V920 Q921 R922L782-I924 HydrophobicContact CD1-CG2 3.91Å; L782-I924 HydrophobicContact CD2-CD1 4.3Å; V786-I924 HydrophobicContact CG2-CG1 3.85Å; V791-I924 CarbonylContact C-O 3.33Å; V791-I924 WeakPolarHBondContact CA-O 3.15Å; V791-I924 WeakPolarHBondContact CG1-O 3.11Å; V792-I924 PolarHBondContact N-O 2.89Å; F796-I924 HydrophobicContact CD2-CD1 4.29Å; F796-I924 HydrophobicContact CE2-CD1 4.22Å; F796-I924 HydrophobicContact CE2-CG2 4.33Å; L801-I924 HydrophobicContact CD2-CD1 4.17Å; V920-I924 HydrophobicContact CG1-CD1 4.04Å; V920-I924 WeakPolarHBondContact O-CG1 3.44Å; V920-I924 PolarHBondContact O-N 2.98Å; Q921-I924 PolarHBondContact O-N 2.92Å; R922-I924 VanDerWaalsContact C-N 3.26Å; R922-I924 PolarHBondContact O-N 3.49Å
925S85.7Confident86.7Confident1 Ų141 Ų411%0.00722%0.221CC..Hα-helixtrans-106.8-0.9-166.7-56.70000116.3V791 V792 V794 Q921 R981V791-S925 VanDerWaalsContact CG1-O 3.29Å; V791-S925 WeakPolarHBondContact CG1-O 3.27Å; V792-S925 WeakPolarHBondContact O-CA 3.36Å; V792-S925 VanDerWaalsContact O-CB 3.31Å; V792-S925 WeakPolarHBondContact O-CB 3.15Å; V792-S925 PolarHBondContact O-OG 3.45Å; V794-S925 PolarHBondContact O-OG 3.47Å; Q921-S925 PolarHBondContact NE2-OG 2.98Å; Q921-S925 PolarHBondContact O-N 3.16Å; S925-R981 WeakPolarHBondContact O-CB 3.35Å; S925-R981 WeakPolarHBondContact O-CD 3.31Å
926G83.2Confident86.7Confident2 Ų240.7 Ų40.72%0.02122%0.219CC..  trans91.8178.4179.800000112.3V791 R922 P982V791-G926 VanDerWaalsContact CG1-CA 3.5Å; R922-G926 WeakPolarHBondContact CA-O 3.21Å; R922-G926 CarbonylContact O-C 3.54Å; R922-G926 VanDerWaalsContact O-CA 3.3Å; R922-G926 WeakPolarHBondContact O-CA 3.37Å; R922-G926 PolarHBondContact O-N 3.03Å; G926-P982 WeakPolarHBondContact CA-O 3.1Å
927D80Confident86.8Confident43 Ų4344.1 Ų44.123%0.2323%0.232CC..  trans-79.9149-176.1-150.8-7.1000111.9A929 R981 P982 L984D927-A929 VanDerWaalsContact C-N 3.26Å; D927-R981 VanDerWaalsContact O-CB 3.28Å; D927-R981 WeakPolarHBondContact O-CB 3.37Å; D927-R981 WeakPolarHBondContact O-CG 3.39Å; D927-P982 HydrophobicContact CB-CG 4.35Å; D927-P982 PolarHBondContact N-O 2.79Å; D927-P982 WeakPolarHBondContact O-CD 3.3Å; D927-L984 HydrophobicContact CB-CD2 3.93Å
928N74.6Confident86.9Confident110 Ų11051.3 Ų51.359%0.58826%0.262SS*.  trans-87.81.8176.3-64.9-9.6000112.2R981N928-R981 PolarHBondContact OD1-NH1 3.39Å
929A76.1Confident87Confident54 Ų5451.5 Ų51.545%0.44626%0.258SS..SBendtrans-68.5152.8177.100000111.6D927D927-A929 VanDerWaalsContact C-N 3.26Å
930E79Confident87.1Confident144 Ų14451.4 Ų51.467%0.67326%0.259SS*.  trans-57.6148.5170.2-68.2-169.1174.800110.8D932E930-D932 PolarHBondContact O-N 2.68Å; E930-D932 VanDerWaalsContact O-N 3.14Å
931I85.1Confident87Confident19 Ų1953.7 Ų53.710%0.09727%0.272CS..  trans-68.2114.6-179.4-64.9162.4000109.1L933 L936 R969 A970 L973 F987I931-L933 HydrophobicContact CG2-CD2 4.09Å; I931-L933 PolarHBondContact O-N 2.7Å; I931-L933 VanDerWaalsContact O-N 3.07Å; I931-L936 HydrophobicContact CG2-CD2 4.35Å; I931-R969 VanDerWaalsContact CD1-C 3.43Å; I931-R969 HydrophobicContact CD1-CB 4.05Å; I931-R969 WeakPolarHBondContact CD1-O 3.33Å; I931-A970 HydrophobicContact CD1-CB 4.49Å; I931-L973 HydrophobicContact CD1-CB 3.68Å; I931-L973 HydrophobicContact CD1-CD2 3.76Å; I931-L973 HydrophobicContact CD1-CG 4.33Å; I931-L973 HydrophobicContact CG1-CD2 3.99Å; I931-F987 HydrophobicContact CG2-CE2 4.02Å; I931-F987 HydrophobicContact CG2-CZ 3.95Å
932D88.1Confident86.9Confident89 Ų8954.6 Ų54.648%0.47628%0.275SS..  trans-70.599.7168.9-173.8-19.8000109.4E930 D934 D935 L936E930-D932 PolarHBondContact O-N 2.68Å; E930-D932 VanDerWaalsContact O-N 3.14Å; D932-D934 VanDerWaalsContact C-N 3.28Å; D932-D934 PolarHBondContact O-N 2.78Å; D932-D934 WeakPolarHBondContact OD1-CB 3.31Å; D932-D934 PolarHBondContact OD1-N 2.99Å; D932-D935 HydrophobicContact CB-CB 3.93Å; D932-D935 PolarHBondContact O-N 3.45Å; D932-D935 PolarHBondContact OD1-N 3.29Å; D932-L936 WeakPolarHBondContact O-CB 3.35Å; D932-L936 PolarHBondContact O-N 2.95Å
933L89.4Confident86.6Confident21 Ų2157 Ų5711%0.1129%0.285CS..Hα-helixtrans-67.4-28.9-179.7-66.6177.7000112.3I931 K937 L960I931-L933 HydrophobicContact CG2-CD2 4.09Å; I931-L933 PolarHBondContact O-N 2.7Å; I931-L933 VanDerWaalsContact O-N 3.07Å; L933-K937 WeakPolarHBondContact O-CB 3.49Å; L933-K937 PolarHBondContact O-N 3.24Å; L933-L960 HydrophobicContact CD1-CB 4.12Å; L933-L960 HydrophobicContact CD2-CB 4.19Å
934D89.9Confident85.9Confident126 Ų12659 Ų5967%0.67431%0.308SS*.Hα-helixtrans-72.8-41.8178.3-73.9-34.8000110.5D932 K937 K938D932-D934 VanDerWaalsContact C-N 3.28Å; D932-D934 PolarHBondContact O-N 2.78Å; D932-D934 WeakPolarHBondContact OD1-CB 3.31Å; D932-D934 PolarHBondContact OD1-N 2.99Å; D934-K937 PolarHBondContact O-N 3.29Å; D934-K938 VanDerWaalsContact O-CB 3.28Å; D934-K938 WeakPolarHBondContact O-CB 3.46Å; D934-K938 PolarHBondContact O-N 2.95Å
935D90.5Very high85.2Confident37 Ų3761.3 Ų61.320%0.19833%0.332CS..Hα-helixtrans-63.9-43.1173-172.849.9000111.9D932 K938 H939 G986 F987D932-D935 HydrophobicContact CB-CB 3.93Å; D932-D935 PolarHBondContact O-N 3.45Å; D932-D935 PolarHBondContact OD1-N 3.29Å; D935-K938 PolarHBondContact O-N 3.05Å; D935-H939 PolarHBondContact O-N 3.35Å; D935-H939 PolarHBondContact O-ND1 3.42Å; D935-H939 IonicContact OD1-CE1 3.14Å; D935-H939 PolarHBondContact OD1-CE1 2.9Å; D935-H939 IonicContact OD1-ND1 2.67Å; D935-H939 PolarHBondContact OD1-ND1 2.98Å; D935-G986 VanDerWaalsContact OD2-CA 3.26Å; D935-G986 WeakPolarHBondContact OD2-CA 3.29Å; D935-F987 HydrophobicContact CB-CD2 4.38Å; D935-F987 PolarHBondContact OD2-N 3.47Å
936L90.1Very high85.2Confident0 Ų061.8 Ų61.80%033%0.334CS..Hα-helixtrans-61-47.8176.1-179.458.7000111.4I931 D932 K938 H939 T940 W957 F972 F987 F994I931-L936 HydrophobicContact CG2-CD2 4.35Å; D932-L936 WeakPolarHBondContact O-CB 3.35Å; D932-L936 PolarHBondContact O-N 2.95Å; L936-K938 VanDerWaalsContact C-N 3.35Å; L936-K938 PolarHBondContact O-N 3.27Å; L936-H939 PolarHBondContact O-N 3.4Å; L936-T940 PolarHBondContact O-N 3.48Å; L936-T940 VanDerWaalsContact O-N 3.13Å; L936-T940 PolarHBondContact O-OG1 3.32Å; L936-W957 HydrophobicContact CB-CH2 4.48Å; L936-W957 HydrophobicContact CB-CZ3 4.46Å; L936-W957 HydrophobicContact CD2-CH2 4.04Å; L936-W957 HydrophobicContact CD2-CZ3 3.94Å; L936-W957 HydrophobicContact CG-CH2 3.8Å; L936-W957 HydrophobicContact CG-CZ3 4.04Å; L936-F972 HydrophobicContact CD2-CE1 4.42Å; L936-F987 VanDerWaalsContact CA-CD2 3.49Å; L936-F987 HydrophobicContact CB-CD2 3.57Å; L936-F987 HydrophobicContact CB-CE2 3.65Å; L936-F987 HydrophobicContact CB-CG 4.08Å; L936-F987 HydrophobicContact CB-CZ 4.23Å; L936-F987 HydrophobicContact CD1-CB 4.32Å; L936-F987 HydrophobicContact CD1-CD1 3.47Å; L936-F987 VanDerWaalsContact CD1-CD1 3.47Å; L936-F987 HydrophobicContact CD1-CD2 3.99Å; L936-F987 HydrophobicContact CD1-CE1 3.65Å; L936-F987 HydrophobicContact CD1-CE2 4.13Å; L936-F987 HydrophobicContact CD1-CG 3.65Å; L936-F987 HydrophobicContact CD1-CZ 3.96Å; L936-F987 HydrophobicContact CD2-CZ 4.4Å; L936-F987 HydrophobicContact CG-CD2 4.34Å; L936-F987 HydrophobicContact CG-CE2 4.3Å; L936-F987 HydrophobicContact CG-CG 4.45Å; L936-F987 HydrophobicContact CG-CZ 4.4Å; L936-F994 HydrophobicContact CD1-CB 3.98Å; L936-F994 HydrophobicContact CD1-CD1 4.09Å; L936-F994 HydrophobicContact CD1-CD2 3.83Å; L936-F994 HydrophobicContact CD1-CE2 4.29Å; L936-F994 HydrophobicContact CD1-CG 3.71Å
937K91Very high85.3Confident88 Ų8866.1 Ų66.138%0.38335%0.353SS..Hα-helixtrans-62-41.4178.8178.4176.7-179.9-176.20112.1L933 D934 H939 T940 W957L933-K937 WeakPolarHBondContact O-CB 3.49Å; L933-K937 PolarHBondContact O-N 3.24Å; D934-K937 PolarHBondContact O-N 3.29Å; K937-H939 VanDerWaalsContact C-N 3.29Å; K937-H939 PolarHBondContact O-N 3.31Å; K937-T940 PolarHBondContact O-N 3.19Å; K937-W957 HydrophobicContact CB-CD2 3.97Å; K937-W957 HydrophobicContact CB-CE3 4.1Å; K937-W957 HydrophobicContact CB-CH2 4.13Å; K937-W957 HydrophobicContact CB-CZ2 3.95Å; K937-W957 HydrophobicContact CB-CZ3 4.18Å; K937-W957 HydrophobicContact CD-CB 4.42Å; K937-W957 HydrophobicContact CD-CD2 4.02Å; K937-W957 HydrophobicContact CD-CG 3.84Å; K937-W957 HydrophobicContact CG-CD2 3.97Å; K937-W957 HydrophobicContact CG-CG 4.22Å; K937-W957 HydrophobicContact CG-CZ2 4.18Å
938K91.4Very high85.6Confident165 Ų16567.7 Ų67.772%0.71737%0.367SS*.Hα-helixtrans-62.6-34.9179.7-178.4178.6176.1-176.80112.7D934 D935 L936D934-K938 VanDerWaalsContact O-CB 3.28Å; D934-K938 WeakPolarHBondContact O-CB 3.46Å; D934-K938 PolarHBondContact O-N 2.95Å; D935-K938 PolarHBondContact O-N 3.05Å; L936-K938 VanDerWaalsContact C-N 3.35Å; L936-K938 PolarHBondContact O-N 3.27Å
939H91.5Very high86.2Confident59 Ų5966.3 Ų66.327%0.27337%0.366SS..THydrogen-bonded Turntrans-104.113.2-176.8-58.5102.6000113.6D935 L936 K937 F987D935-H939 PolarHBondContact O-N 3.35Å; D935-H939 PolarHBondContact O-ND1 3.42Å; D935-H939 IonicContact OD1-CE1 3.14Å; D935-H939 PolarHBondContact OD1-CE1 2.9Å; D935-H939 IonicContact OD1-ND1 2.67Å; D935-H939 PolarHBondContact OD1-ND1 2.98Å; L936-H939 PolarHBondContact O-N 3.4Å; K937-H939 VanDerWaalsContact C-N 3.29Å; K937-H939 PolarHBondContact O-N 3.31Å; H939-F987 HydrophobicContact CB-CB 4.23Å
940T91.6Very high86.7Confident12 Ų1264.4 Ų64.47%0.07435%0.348CS..  trans-80.4130.1175-66.50000111.4L936 K937 Y942 W957 F994 I996L936-T940 PolarHBondContact O-N 3.48Å; L936-T940 VanDerWaalsContact O-N 3.13Å; L936-T940 PolarHBondContact O-OG1 3.32Å; K937-T940 PolarHBondContact O-N 3.19Å; T940-Y942 HydrophobicContact CG2-CD1 4.23Å; T940-Y942 HydrophobicContact CG2-CE1 3.72Å; T940-Y942 HydrophobicContact CG2-CE2 4.05Å; T940-Y942 WeakPolarHBondContact O-CE2 3.43Å; T940-W957 HydrophobicContact CG2-CZ2 4.33Å; T940-F994 CarbonylContact C-O 3.5Å; T940-F994 WeakPolarHBondContact CA-O 3.49Å; T940-F994 HydrophobicContact CG2-CD1 3.81Å; T940-F994 HydrophobicContact CG2-CE1 4.2Å; T940-F994 WeakPolarHBondContact OG1-CD1 3.48Å; T940-I996 HydrophobicContact CG2-CD1 3.86Å; T940-I996 HydrophobicContact CG2-CG1 3.76Å
941V90.5Very high87.1Confident52 Ų5261.7 Ų61.732%0.31533%0.332SS..EExtended strand (participates in β ladder)trans-96.4136174-172.90000110.2Y943 P993 F994 S995 I996V941-Y943 HydrophobicContact CB-CE2 4.1Å; V941-Y943 HydrophobicContact CG1-CD2 4.35Å; V941-Y943 HydrophobicContact CG1-CE1 4.27Å; V941-Y943 HydrophobicContact CG1-CE2 3.58Å; V941-P993 HydrophobicContact CG2-CB 4.17Å; V941-P993 HydrophobicContact CG2-CG 4.32Å; V941-F994 PolarHBondContact N-O 3.43Å; V941-S995 CarbonylContact O-C 3.57Å; V941-S995 WeakPolarHBondContact O-CA 3.5Å; V941-I996 PolarHBondContact O-N 3.33Å
942Y87.9Confident87.2Confident45 Ų4560.8 Ų60.818%0.17633%0.327CS..EExtended strand (participates in β ladder)trans-111.5139.2-177.6-56.1-86.5000111.6T940 F946 I953 W957 I996T940-Y942 HydrophobicContact CG2-CD1 4.23Å; T940-Y942 HydrophobicContact CG2-CE1 3.72Å; T940-Y942 HydrophobicContact CG2-CE2 4.05Å; T940-Y942 WeakPolarHBondContact O-CE2 3.43Å; Y942-F946 WeakPolarHBondContact CB-O 3.37Å; Y942-F946 HydrophobicContact CD1-CB 4.31Å; Y942-I953 HydrophobicContact CD1-CD1 4.03Å; Y942-I953 HydrophobicContact CD1-CG1 4.13Å; Y942-I953 HydrophobicContact CD1-CG2 4.4Å; Y942-I953 HydrophobicContact CE1-CB 4.33Å; Y942-I953 HydrophobicContact CE1-CD1 3.86Å; Y942-I953 HydrophobicContact CE1-CG1 3.94Å; Y942-I953 HydrophobicContact CE1-CG2 3.44Å; Y942-I953 VanDerWaalsContact CE1-CG2 3.44Å; Y942-W957 PolarHBondContact OH-NE1 3.07Å; Y942-I996 CarbonylContact C-O 3.6Å; Y942-I996 WeakPolarHBondContact CA-O 3.35Å; Y942-I996 HydrophobicContact CD1-CB 4.12Å; Y942-I996 HydrophobicContact CE1-CB 4.46Å; Y942-I996 HydrophobicContact CE1-CD1 4.01Å
943Y83.3Confident87.4Confident119 Ų11956.6 Ų56.647%0.46731%0.305SS..EExtended strand (participates in β ladder)trans-133.2163.6-179.7-61.7-80000111.6V941 G945 I996 R997 C998V941-Y943 HydrophobicContact CB-CE2 4.1Å; V941-Y943 HydrophobicContact CG1-CD2 4.35Å; V941-Y943 HydrophobicContact CG1-CE1 4.27Å; V941-Y943 HydrophobicContact CG1-CE2 3.58Å; Y943-G945 PolarHBondContact O-N 3.15Å; Y943-I996 PolarHBondContact N-O 2.99Å; Y943-R997 WeakPolarHBondContact O-CA 3.33Å; Y943-C998 PolarHBondContact O-N 3.23Å
944G75.7Confident87.5Confident50 Ų5059.7 Ų59.752%0.51532%0.321SS..THydrogen-bonded Turntrans68.730.5173.700000114.4C998G944-C998 WeakPolarHBondContact O-CB 3.48Å
945G74.4Confident87.7Confident51 Ų5156.6 Ų56.653%0.52630%0.299SS..THydrogen-bonded Turntrans89.6-5.9178.600000115.3Y943Y943-G945 PolarHBondContact O-N 3.15Å
946F85.1Confident87.8Confident12 Ų1254.8 Ų54.85%0.05329%0.29CS..  trans-75.1147.8166.4-72.6-19.6000111.8Y942 H950 V952 I953 I996 C998 L1042Y942-F946 WeakPolarHBondContact CB-O 3.37Å; Y942-F946 HydrophobicContact CD1-CB 4.31Å; F946-H950 HydrophobicContact CD1-CB 4.46Å; F946-H950 AromaticContact CD1-CD2 3.97Å; F946-H950 AromaticContact CD1-CE1 3.67Å; F946-H950 AromaticContact CD1-CG 3.74Å; F946-H950 AromaticContact CD1-ND1 3.53Å; F946-H950 AromaticContact CD1-NE2 3.94Å; F946-H950 AromaticContact CE1-CE1 3.36Å; F946-H950 WeakPolarHBondContact CE1-CE1 3.47Å; F946-H950 AromaticContact CE1-ND1 3.55Å; F946-H950 AromaticContact CE1-NE2 3.9Å; F946-V952 HydrophobicContact CZ-CG1 4.42Å; F946-I953 HydrophobicContact CB-CD1 4.25Å; F946-I953 HydrophobicContact CB-CG1 4.12Å; F946-I953 HydrophobicContact CD2-CD1 3.8Å; F946-I953 HydrophobicContact CD2-CG1 4.39Å; F946-I953 HydrophobicContact CE2-CD1 4.32Å; F946-I953 HydrophobicContact CG-CD1 4.05Å; F946-I953 HydrophobicContact CG-CG1 4.14Å; F946-I996 HydrophobicContact CD2-CG2 4.03Å; F946-I996 HydrophobicContact CE2-CG2 4.44Å; F946-C998 HydrophobicContact CD1-CB 3.93Å; F946-C998 HydrophobicContact CD2-CB 3.73Å; F946-C998 HydrophobicContact CE1-CB 3.79Å; F946-C998 VanDerWaalsContact CE1-SG 3.57Å; F946-C998 VanDerWaalsContact CE2-CA 3.41Å; F946-C998 HydrophobicContact CE2-CB 3.59Å; F946-C998 HydrophobicContact CG-CB 3.91Å; F946-C998 HydrophobicContact CZ-CB 3.63Å; F946-C998 WeakPolarHBondContact CZ-SG 3.48Å; F946-L1042 HydrophobicContact CE2-CB 4.04Å; F946-L1042 HydrophobicContact CE2-CD2 4.42Å; F946-L1042 HydrophobicContact CE2-CG 4.5Å; F946-L1042 WeakPolarHBondContact CE2-O 3.26Å
947H87.1Confident88Confident93 Ų9355.4 Ų55.443%0.43129%0.292SS..  trans-149.4170172.755.786.7000108.8S949 H950H947-S949 PolarHBondContact CE1-OG 3.26Å; H947-S949 PolarHBondContact ND1-N 3.39Å; H947-S949 PolarHBondContact ND1-OG 2.8Å; H947-S949 PolarHBondContact O-N 3.26Å; H947-S949 VanDerWaalsContact O-N 3.11Å; H947-H950 PolarHBondContact ND1-N 2.85Å; H947-H950 VanDerWaalsContact O-CB 3.26Å; H947-H950 WeakPolarHBondContact O-CB 3.38Å; H947-H950 PolarHBondContact O-N 3.28Å
948S85.9Confident88Confident75 Ų7554.2 Ų54.252%0.52429%0.29SS..THydrogen-bonded Turntrans-57.8-28.7-172.656.50000115
949S86.4Confident88.1Confident81 Ų8146.3 Ų46.357%0.56626%0.256SS*.THydrogen-bonded Turntrans-94.13.6177.4510000114.8H947 I954H947-S949 PolarHBondContact CE1-OG 3.26Å; H947-S949 PolarHBondContact ND1-N 3.39Å; H947-S949 PolarHBondContact ND1-OG 2.8Å; H947-S949 PolarHBondContact O-N 3.26Å; H947-S949 VanDerWaalsContact O-N 3.11Å; S949-I954 WeakPolarHBondContact O-CD1 3.45Å
950H86.9Confident88.1Confident15 Ų1543.5 Ų43.57%0.06924%0.243CC..  trans-68.2138.4177.8-173-86.4000111.2F946 H947 V952 I953 I954F946-H950 HydrophobicContact CD1-CB 4.46Å; F946-H950 AromaticContact CD1-CD2 3.97Å; F946-H950 AromaticContact CD1-CE1 3.67Å; F946-H950 AromaticContact CD1-CG 3.74Å; F946-H950 AromaticContact CD1-ND1 3.53Å; F946-H950 AromaticContact CD1-NE2 3.94Å; F946-H950 AromaticContact CE1-CE1 3.36Å; F946-H950 WeakPolarHBondContact CE1-CE1 3.47Å; F946-H950 AromaticContact CE1-ND1 3.55Å; F946-H950 AromaticContact CE1-NE2 3.9Å; H947-H950 PolarHBondContact ND1-N 2.85Å; H947-H950 VanDerWaalsContact O-CB 3.26Å; H947-H950 WeakPolarHBondContact O-CB 3.38Å; H947-H950 PolarHBondContact O-N 3.28Å; H950-V952 VanDerWaalsContact C-N 3.3Å; H950-V952 PolarHBondContact ND1-N 3.26Å; H950-V952 PolarHBondContact O-N 3.01Å; H950-V952 VanDerWaalsContact O-N 3.16Å; H950-I953 HydrophobicContact CB-CB 4.36Å; H950-I953 HydrophobicContact CB-CG1 4.07Å; H950-I953 WeakPolarHBondContact O-CB 3.26Å; H950-I953 PolarHBondContact O-N 3.48Å; H950-I954 PolarHBondContact O-N 2.99Å
951R88.4Confident88.1Confident87 Ų8746.2 Ų46.233%0.32826%0.262SS..Hα-helixtrans-52.5-44.8-172.586.1175.590.5171.25.1113.4I953 I954 W955 D1009R951-I953 VanDerWaalsContact C-N 3.32Å; R951-I953 PolarHBondContact O-N 3.26Å; R951-I954 PolarHBondContact O-N 2.86Å; R951-W955 HydrophobicContact CG-CH2 4.16Å; R951-W955 HydrophobicContact CG-CZ2 4.29Å; R951-W955 HydrophobicContact CG-CZ3 4.29Å; R951-W955 PolarHBondContact O-N 3.44Å; R951-D1009 IonicContact CZ-OD2 2.62Å; R951-D1009 IonicContact NE-OD2 3.9Å; R951-D1009 IonicContact NH2-OD2 3.34Å; R951-D1009 PolarHBondContact NH2-OD2 3.39Å
952V87.3Confident88.1Confident0 Ų047.6 Ų47.60%027%0.274CS..Hα-helixtrans-69.8-32.7-176.5176.80000111F946 H950 W955 L956 L1042 N1044 L1051F946-V952 HydrophobicContact CZ-CG1 4.42Å; H950-V952 VanDerWaalsContact C-N 3.3Å; H950-V952 PolarHBondContact ND1-N 3.26Å; H950-V952 PolarHBondContact O-N 3.01Å; H950-V952 VanDerWaalsContact O-N 3.16Å; V952-W955 HydrophobicContact CG2-CE3 4.28Å; V952-W955 HydrophobicContact CG2-CZ3 4.38Å; V952-W955 PolarHBondContact O-N 3.41Å; V952-L956 WeakPolarHBondContact O-CB 3.32Å; V952-L956 PolarHBondContact O-N 3.1Å; V952-L1042 HydrophobicContact CG1-CD2 3.72Å; V952-L1042 HydrophobicContact CG1-CG 4.33Å; V952-N1044 VanDerWaalsContact CG2-OD1 3.22Å; V952-N1044 WeakPolarHBondContact CG2-OD1 3.33Å; V952-L1051 HydrophobicContact CG1-CD2 4.18Å
953I91.8Very high88.1Confident0 Ų048.1 Ų48.10%028%0.28CS..Hα-helixtrans-71-42.6175.8-62.4-53.5000110.2Y942 F946 H950 R951 W955 L956 W957 I996Y942-I953 HydrophobicContact CD1-CD1 4.03Å; Y942-I953 HydrophobicContact CD1-CG1 4.13Å; Y942-I953 HydrophobicContact CD1-CG2 4.4Å; Y942-I953 HydrophobicContact CE1-CB 4.33Å; Y942-I953 HydrophobicContact CE1-CD1 3.86Å; Y942-I953 HydrophobicContact CE1-CG1 3.94Å; Y942-I953 HydrophobicContact CE1-CG2 3.44Å; Y942-I953 VanDerWaalsContact CE1-CG2 3.44Å; F946-I953 HydrophobicContact CB-CD1 4.25Å; F946-I953 HydrophobicContact CB-CG1 4.12Å; F946-I953 HydrophobicContact CD2-CD1 3.8Å; F946-I953 HydrophobicContact CD2-CG1 4.39Å; F946-I953 HydrophobicContact CE2-CD1 4.32Å; F946-I953 HydrophobicContact CG-CD1 4.05Å; F946-I953 HydrophobicContact CG-CG1 4.14Å; H950-I953 HydrophobicContact CB-CB 4.36Å; H950-I953 HydrophobicContact CB-CG1 4.07Å; H950-I953 WeakPolarHBondContact O-CB 3.26Å; H950-I953 PolarHBondContact O-N 3.48Å; R951-I953 VanDerWaalsContact C-N 3.32Å; R951-I953 PolarHBondContact O-N 3.26Å; I953-W955 VanDerWaalsContact C-N 3.32Å; I953-W955 PolarHBondContact O-N 3.46Å; I953-L956 WeakPolarHBondContact O-CB 3.46Å; I953-L956 PolarHBondContact O-N 2.9Å; I953-W957 PolarHBondContact O-N 2.97Å; I953-W957 VanDerWaalsContact O-N 3.1Å; I953-I996 HydrophobicContact CD1-CD1 4.2Å; I953-I996 HydrophobicContact CD1-CG2 3.93Å
954I91.6Very high88.5Confident87 Ų8742.9 Ų42.945%0.44626%0.259SS..Hα-helixtrans-59.8-45.7173.6-63.8170.4000110.2S949 H950 R951 L956 W957 D958S949-I954 WeakPolarHBondContact O-CD1 3.45Å; H950-I954 PolarHBondContact O-N 2.99Å; R951-I954 PolarHBondContact O-N 2.86Å; I954-L956 PolarHBondContact O-N 3.01Å; I954-W957 PolarHBondContact O-N 3.47Å; I954-D958 WeakPolarHBondContact O-CB 3.34Å; I954-D958 PolarHBondContact O-N 3.41Å
955W93.3Very high89.2Confident60 Ų6044.5 Ų44.523%0.22726%0.256CS..Hα-helixtrans-61.1-41.7176-67-14.1000112.9R951 V952 I953 D958 I959 Y1045 K1048 L1051R951-W955 HydrophobicContact CG-CH2 4.16Å; R951-W955 HydrophobicContact CG-CZ2 4.29Å; R951-W955 HydrophobicContact CG-CZ3 4.29Å; R951-W955 PolarHBondContact O-N 3.44Å; V952-W955 HydrophobicContact CG2-CE3 4.28Å; V952-W955 HydrophobicContact CG2-CZ3 4.38Å; V952-W955 PolarHBondContact O-N 3.41Å; I953-W955 VanDerWaalsContact C-N 3.32Å; I953-W955 PolarHBondContact O-N 3.46Å; W955-D958 PolarHBondContact O-N 2.61Å; W955-I959 WeakPolarHBondContact O-CB 3.45Å; W955-I959 WeakPolarHBondContact O-CD1 3.43Å; W955-I959 WeakPolarHBondContact O-CG1 3.45Å; W955-I959 PolarHBondContact O-N 2.66Å; W955-Y1045 WeakPolarHBondContact CZ3-O 3.42Å; W955-K1048 HydrophobicContact CB-CB 4.45Å; W955-K1048 HydrophobicContact CB-CG 4.09Å; W955-K1048 HydrophobicContact CD2-CB 3.91Å; W955-K1048 HydrophobicContact CD2-CG 4.48Å; W955-K1048 HydrophobicContact CE3-CB 4.27Å; W955-K1048 HydrophobicContact CG-CB 3.99Å; W955-K1048 HydrophobicContact CG-CD 4.47Å; W955-K1048 HydrophobicContact CG-CG 4.04Å; W955-L1051 HydrophobicContact CB-CD2 3.83Å
956L93Very high89.8Confident0 Ų044.3 Ų44.30%025%0.25CS..Hα-helixtrans-57.4-52.5176.8175.167.5000111V952 I953 I954 D958 I959 L960 F972 I996 L1040 L1042 L1051 L1055V952-L956 WeakPolarHBondContact O-CB 3.32Å; V952-L956 PolarHBondContact O-N 3.1Å; I953-L956 WeakPolarHBondContact O-CB 3.46Å; I953-L956 PolarHBondContact O-N 2.9Å; I954-L956 PolarHBondContact O-N 3.01Å; L956-D958 VanDerWaalsContact C-N 3.33Å; L956-D958 PolarHBondContact O-N 3.41Å; L956-I959 PolarHBondContact O-N 3.47Å; L956-L960 HydrophobicContact CD1-CD1 4.18Å; L956-L960 HydrophobicContact CD1-CG 4.38Å; L956-L960 HydrophobicContact CG-CD1 4.13Å; L956-L960 WeakPolarHBondContact O-CG 3.43Å; L956-L960 PolarHBondContact O-N 2.82Å; L956-F972 HydrophobicContact CD1-CE2 4.4Å; L956-I996 HydrophobicContact CD2-CD1 3.6Å; L956-L1040 HydrophobicContact CD2-CD2 4.01Å; L956-L1042 HydrophobicContact CD2-CD2 4.24Å; L956-L1051 HydrophobicContact CB-CD2 4.24Å; L956-L1055 HydrophobicContact CD1-CD2 3.52Å
957W94Very high89.8Confident13 Ų1350.7 Ų50.75%0.04928%0.28CS..Hα-helixtrans-64.9-37.3-179.1-66.2118.4000112.5L936 K937 T940 Y942 I953 I954 L960 S961 I996L936-W957 HydrophobicContact CB-CH2 4.48Å; L936-W957 HydrophobicContact CB-CZ3 4.46Å; L936-W957 HydrophobicContact CD2-CH2 4.04Å; L936-W957 HydrophobicContact CD2-CZ3 3.94Å; L936-W957 HydrophobicContact CG-CH2 3.8Å; L936-W957 HydrophobicContact CG-CZ3 4.04Å; K937-W957 HydrophobicContact CB-CD2 3.97Å; K937-W957 HydrophobicContact CB-CE3 4.1Å; K937-W957 HydrophobicContact CB-CH2 4.13Å; K937-W957 HydrophobicContact CB-CZ2 3.95Å; K937-W957 HydrophobicContact CB-CZ3 4.18Å; K937-W957 HydrophobicContact CD-CB 4.42Å; K937-W957 HydrophobicContact CD-CD2 4.02Å; K937-W957 HydrophobicContact CD-CG 3.84Å; K937-W957 HydrophobicContact CG-CD2 3.97Å; K937-W957 HydrophobicContact CG-CG 4.22Å; K937-W957 HydrophobicContact CG-CZ2 4.18Å; T940-W957 HydrophobicContact CG2-CZ2 4.33Å; Y942-W957 PolarHBondContact OH-NE1 3.07Å; I953-W957 PolarHBondContact O-N 2.97Å; I953-W957 VanDerWaalsContact O-N 3.1Å; I954-W957 PolarHBondContact O-N 3.47Å; W957-L960 HydrophobicContact CE3-CD1 3.88Å; W957-L960 HydrophobicContact CZ3-CD1 3.88Å; W957-L960 PolarHBondContact O-N 2.91Å; W957-S961 VanDerWaalsContact O-CB 3.32Å; W957-S961 WeakPolarHBondContact O-CB 3.47Å; W957-S961 PolarHBondContact O-N 2.8Å; W957-I996 HydrophobicContact CZ2-CD1 4.38Å
958D91.9Very high89.9Confident62 Ų6247.8 Ų47.833%0.33227%0.267SS..Hα-helixtrans-66.6-39.2175.2-175.219.9000112I954 W955 L956 S961 S962 K1048I954-D958 WeakPolarHBondContact O-CB 3.34Å; I954-D958 PolarHBondContact O-N 3.41Å; W955-D958 PolarHBondContact O-N 2.61Å; L956-D958 VanDerWaalsContact C-N 3.33Å; L956-D958 PolarHBondContact O-N 3.41Å; D958-S961 PolarHBondContact O-N 3.46Å; D958-S962 VanDerWaalsContact O-CB 3.23Å; D958-S962 WeakPolarHBondContact O-CB 3.47Å; D958-S962 PolarHBondContact O-N 2.88Å; D958-S962 PolarHBondContact O-OG 3.3Å; D958-S962 PolarHBondContact OD1-OG 3.03Å; D958-K1048 IonicContact OD1-NZ 3.34Å; D958-K1048 WeakPolarHBondContact OD2-CE 3.46Å; D958-K1048 IonicContact OD2-NZ 3.99Å; D958-K1048 PolarHBondContact OD2-NZ 2.74Å
959I92.9Very high90.1Very high0 Ų046.5 Ų46.50%025%0.25CS..Iπ-helixtrans-63.4-47.5173.3-70.9160.2000110.9W955 L956 S961 D963 F964 K1048 L1051 R1052W955-I959 WeakPolarHBondContact O-CB 3.45Å; W955-I959 WeakPolarHBondContact O-CD1 3.43Å; W955-I959 WeakPolarHBondContact O-CG1 3.45Å; W955-I959 PolarHBondContact O-N 2.66Å; L956-I959 PolarHBondContact O-N 3.47Å; I959-S961 VanDerWaalsContact C-N 3.29Å; I959-S961 PolarHBondContact O-N 3.27Å; I959-D963 HydrophobicContact CG2-CB 4.22Å; I959-D963 WeakPolarHBondContact O-CA 3.48Å; I959-D963 WeakPolarHBondContact O-CB 3.43Å; I959-D963 PolarHBondContact O-N 3.21Å; I959-F964 HydrophobicContact CG2-CD1 3.94Å; I959-F964 HydrophobicContact CG2-CE1 3.65Å; I959-F964 HydrophobicContact CG2-CZ 4.11Å; I959-F964 PolarHBondContact O-N 3.39Å; I959-F964 VanDerWaalsContact O-N 3.16Å; I959-K1048 HydrophobicContact CD1-CG 3.96Å; I959-K1048 HydrophobicContact CG1-CG 4.13Å; I959-L1051 HydrophobicContact CD1-CB 4.08Å; I959-L1051 HydrophobicContact CD1-CD2 3.69Å; I959-L1051 HydrophobicContact CD1-CG 3.64Å; I959-R1052 HydrophobicContact CD1-CB 3.8Å; I959-R1052 HydrophobicContact CG1-CB 4.09Å; I959-R1052 HydrophobicContact CG1-CG 4.47Å; I959-R1052 HydrophobicContact CG2-CB 4.23Å; I959-R1052 HydrophobicContact CG2-CG 3.97Å
960L92.1Very high90.1Very high0 Ų044 Ų440%023%0.234CC..Iπ-helixtrans-62.8-36.3179.6-68.6172.8000112.2L933 L956 W957 F964 R969 F972 L1055L933-L960 HydrophobicContact CD1-CB 4.12Å; L933-L960 HydrophobicContact CD2-CB 4.19Å; L956-L960 HydrophobicContact CD1-CD1 4.18Å; L956-L960 HydrophobicContact CD1-CG 4.38Å; L956-L960 HydrophobicContact CG-CD1 4.13Å; L956-L960 WeakPolarHBondContact O-CG 3.43Å; L956-L960 PolarHBondContact O-N 2.82Å; W957-L960 HydrophobicContact CE3-CD1 3.88Å; W957-L960 HydrophobicContact CZ3-CD1 3.88Å; W957-L960 PolarHBondContact O-N 2.91Å; L960-F964 HydrophobicContact CD2-CD2 3.63Å; L960-F964 HydrophobicContact CD2-CE2 3.88Å; L960-F964 HydrophobicContact CD2-CG 4.46Å; L960-R969 PolarHBondContact O-NE 3.47Å; L960-R969 PolarHBondContact O-NH2 3.34Å; L960-F972 HydrophobicContact CD1-CD1 4.03Å; L960-F972 HydrophobicContact CD1-CE1 3.59Å; L960-F972 HydrophobicContact CD1-CE2 4.44Å; L960-F972 HydrophobicContact CD1-CZ 3.82Å; L960-F972 HydrophobicContact CD2-CB 4.14Å; L960-F972 HydrophobicContact CD2-CD1 3.77Å; L960-F972 HydrophobicContact CD2-CD2 4.04Å; L960-F972 HydrophobicContact CD2-CE1 4.16Å; L960-F972 HydrophobicContact CD2-CE2 4.41Å; L960-F972 HydrophobicContact CD2-CG 3.69Å; L960-F972 HydrophobicContact CD2-CZ 4.46Å; L960-L1055 HydrophobicContact CD2-CD2 4.48Å
961S91.4Very high90.1Very high68 Ų6846.8 Ų46.848%0.47625%0.248SC..Iπ-helixtrans-78.5-48.4-179.9-171.20000112.8W957 D958 I959 R969W957-S961 VanDerWaalsContact O-CB 3.32Å; W957-S961 WeakPolarHBondContact O-CB 3.47Å; W957-S961 PolarHBondContact O-N 2.8Å; D958-S961 PolarHBondContact O-N 3.46Å; I959-S961 VanDerWaalsContact C-N 3.29Å; I959-S961 PolarHBondContact O-N 3.27Å; S961-R969 PolarHBondContact O-NH2 2.86Å
962S89.3Confident90.2Very high81 Ų8142.8 Ų42.857%0.56623%0.233SC*.Iπ-helixtrans-96.9-34.6-168.5-52.70000113.7D958D958-S962 VanDerWaalsContact O-CB 3.23Å; D958-S962 WeakPolarHBondContact O-CB 3.47Å; D958-S962 PolarHBondContact O-N 2.88Å; D958-S962 PolarHBondContact O-OG 3.3Å; D958-S962 PolarHBondContact OD1-OG 3.03Å
963D88.5Confident90.3Very high57 Ų5742.9 Ų42.931%0.30523%0.234SC..Iπ-helixtrans-102.1-21.5-170.6-64.6-53.6000113.7I959 K1048 R1056I959-D963 HydrophobicContact CG2-CB 4.22Å; I959-D963 WeakPolarHBondContact O-CA 3.48Å; I959-D963 WeakPolarHBondContact O-CB 3.43Å; I959-D963 PolarHBondContact O-N 3.21Å; D963-K1048 IonicContact OD2-NZ 2.99Å; D963-R1056 PolarHBondContact O-NH2 3.16Å
964F91.5Very high90Very high8 Ų846.5 Ų46.54%0.03525%0.25CC..  trans-104.7136.9-175.8-78.620.9000112.9I959 L960 E968 R969 L1055 R1056 I1059I959-F964 HydrophobicContact CG2-CD1 3.94Å; I959-F964 HydrophobicContact CG2-CE1 3.65Å; I959-F964 HydrophobicContact CG2-CZ 4.11Å; I959-F964 PolarHBondContact O-N 3.39Å; I959-F964 VanDerWaalsContact O-N 3.16Å; L960-F964 HydrophobicContact CD2-CD2 3.63Å; L960-F964 HydrophobicContact CD2-CE2 3.88Å; L960-F964 HydrophobicContact CD2-CG 4.46Å; F964-E968 VanDerWaalsContact CA-OE2 3.3Å; F964-E968 WeakPolarHBondContact CA-OE2 3.49Å; F964-E968 HydrophobicContact CB-CB 3.9Å; F964-E968 HydrophobicContact CD2-CB 3.83Å; F964-E968 HydrophobicContact CG-CB 3.89Å; F964-R969 HydrophobicContact CB-CG 4.18Å; F964-R969 PolarHBondContact O-NE 2.69Å; F964-R969 PolarHBondContact O-NH2 3.46Å; F964-L1055 HydrophobicContact CE2-CD2 4.07Å; F964-L1055 HydrophobicContact CE2-CG 4.28Å; F964-L1055 HydrophobicContact CZ-CB 4.48Å; F964-L1055 HydrophobicContact CZ-CD2 3.99Å; F964-L1055 HydrophobicContact CZ-CG 4.08Å; F964-R1056 HydrophobicContact CE1-CB 4.22Å; F964-R1056 HydrophobicContact CZ-CB 4.11Å; F964-I1059 HydrophobicContact CD2-CD1 4.19Å; F964-I1059 HydrophobicContact CE2-CD1 3.44Å; F964-I1059 VanDerWaalsContact CE2-CD1 3.44Å; F964-I1059 HydrophobicContact CZ-CD1 3.92Å
965N90.1Very high89.7Confident84 Ų8442.6 Ų42.645%0.44923%0.229SC..  trans-81.8175.6172.772.221.9000112.2E967 E968 R969N965-E967 VanDerWaalsContact C-N 3.3Å; N965-E967 PolarHBondContact O-N 2.74Å; N965-E967 PolarHBondContact OD1-N 2.92Å; N965-E967 VanDerWaalsContact OD1-N 3.11Å; N965-E968 PolarHBondContact N-OE2 3.22Å; N965-E968 PolarHBondContact O-N 2.67Å; N965-E968 WeakPolarHBondContact OD1-CB 3.37Å; N965-E968 WeakPolarHBondContact OD1-CG 3.43Å; N965-E968 PolarHBondContact OD1-N 2.95Å; N965-R969 VanDerWaalsContact O-CG 3.29Å; N965-R969 WeakPolarHBondContact O-CG 3.32Å; N965-R969 PolarHBondContact O-N 3.01Å
966A86.7Confident89.4Confident48 Ų4839.7 Ų39.740%0.39722%0.219SC..Hα-helixtrans-58.7-37.9-178.400000113.4R969 A970A966-R969 PolarHBondContact O-N 3.34Å; A966-A970 PolarHBondContact O-N 2.92Å
967E86.6Confident88.8Confident146 Ų14639.9 Ų39.968%0.68222%0.22SC*.Hα-helixtrans-68.4-43.3177.3-64.4179.1173.600111.8N965 R969 A970 M971N965-E967 VanDerWaalsContact C-N 3.3Å; N965-E967 PolarHBondContact O-N 2.74Å; N965-E967 PolarHBondContact OD1-N 2.92Å; N965-E967 VanDerWaalsContact OD1-N 3.11Å; E967-R969 VanDerWaalsContact C-N 3.32Å; E967-R969 PolarHBondContact O-N 3.18Å; E967-A970 WeakPolarHBondContact O-CB 3.26Å; E967-A970 PolarHBondContact O-N 2.76Å; E967-A970 VanDerWaalsContact O-N 3.17Å; E967-M971 WeakPolarHBondContact O-CG 3.48Å; E967-M971 PolarHBondContact O-N 2.86Å
968E88.4Confident88.1Confident31 Ų3139.9 Ų39.915%0.14522%0.221CC..Hα-helixtrans-65-36175.9-70.8-175.4128.600111.9F964 N965 M971 F972 R1056F964-E968 VanDerWaalsContact CA-OE2 3.3Å; F964-E968 WeakPolarHBondContact CA-OE2 3.49Å; F964-E968 HydrophobicContact CB-CB 3.9Å; F964-E968 HydrophobicContact CD2-CB 3.83Å; F964-E968 HydrophobicContact CG-CB 3.89Å; N965-E968 PolarHBondContact N-OE2 3.22Å; N965-E968 PolarHBondContact O-N 2.67Å; N965-E968 WeakPolarHBondContact OD1-CB 3.37Å; N965-E968 WeakPolarHBondContact OD1-CG 3.43Å; N965-E968 PolarHBondContact OD1-N 2.95Å; E968-M971 HydrophobicContact CB-CE 4.29Å; E968-M971 HydrophobicContact CG-CE 3.8Å; E968-M971 PolarHBondContact O-N 3.02Å; E968-F972 WeakPolarHBondContact O-CB 3.47Å; E968-F972 PolarHBondContact O-N 3.38Å; E968-R1056 IonicContact OE1-CZ 3.24Å; E968-R1056 IonicContact OE1-NE 3.18Å; E968-R1056 PolarHBondContact OE1-NE 3.44Å; E968-R1056 IonicContact OE1-NH2 3.26Å; E968-R1056 PolarHBondContact OE1-NH2 3.11Å; E968-R1056 IonicContact OE2-CZ 3.14Å; E968-R1056 IonicContact OE2-NE 2.7Å; E968-R1056 IonicContact OE2-NH2 2.69Å; E968-R1056 PolarHBondContact OE2-NH2 2.74Å
969R90.4Very high87.6Confident48 Ų4837.2 Ų37.218%0.18121%0.207CC..Hα-helixtrans-64.8-41.2171.6-68.3169.9-172.51733.3111.4I931 L960 S961 F964 N965 A966 E967 F972 L973I931-R969 VanDerWaalsContact CD1-C 3.43Å; I931-R969 HydrophobicContact CD1-CB 4.05Å; I931-R969 WeakPolarHBondContact CD1-O 3.33Å; L960-R969 PolarHBondContact O-NE 3.47Å; L960-R969 PolarHBondContact O-NH2 3.34Å; S961-R969 PolarHBondContact O-NH2 2.86Å; F964-R969 HydrophobicContact CB-CG 4.18Å; F964-R969 PolarHBondContact O-NE 2.69Å; F964-R969 PolarHBondContact O-NH2 3.46Å; N965-R969 VanDerWaalsContact O-CG 3.29Å; N965-R969 WeakPolarHBondContact O-CG 3.32Å; N965-R969 PolarHBondContact O-N 3.01Å; A966-R969 PolarHBondContact O-N 3.34Å; E967-R969 VanDerWaalsContact C-N 3.32Å; E967-R969 PolarHBondContact O-N 3.18Å; R969-F972 WeakPolarHBondContact O-CB 3.01Å; R969-F972 PolarHBondContact O-N 2.9Å; R969-L973 PolarHBondContact O-N 3.46Å
970A86.9Confident87Confident28 Ų2838.5 Ų38.523%0.23122%0.217CC..Hα-helixtrans-65.2-40.5174.900000111.9I931 A966 E967 L973 K974I931-A970 HydrophobicContact CD1-CB 4.49Å; A966-A970 PolarHBondContact O-N 2.92Å; E967-A970 WeakPolarHBondContact O-CB 3.26Å; E967-A970 PolarHBondContact O-N 2.76Å; E967-A970 VanDerWaalsContact O-N 3.17Å; A970-L973 PolarHBondContact O-N 2.82Å; A970-K974 WeakPolarHBondContact O-CB 3.27Å; A970-K974 PolarHBondContact O-N 3.23Å
971M87Confident86.6Confident74 Ų7441.8 Ų41.837%0.36523%0.229SC..Hα-helixtrans-63.6-40.2172.5-72.4-170.2-7300111.8E967 E968 K974 F975 I1059E967-M971 WeakPolarHBondContact O-CG 3.48Å; E967-M971 PolarHBondContact O-N 2.86Å; E968-M971 HydrophobicContact CB-CE 4.29Å; E968-M971 HydrophobicContact CG-CE 3.8Å; E968-M971 PolarHBondContact O-N 3.02Å; M971-K974 PolarHBondContact O-N 3.31Å; M971-F975 VanDerWaalsContact O-CB 3.27Å; M971-F975 WeakPolarHBondContact O-CB 3.16Å; M971-F975 PolarHBondContact O-N 3.47Å; M971-I1059 HydrophobicContact CB-CB 4.37Å; M971-I1059 HydrophobicContact CB-CD1 4.39Å; M971-I1059 HydrophobicContact CB-CG1 4.49Å
972F90.4Very high86.3Confident3 Ų339.2 Ų39.21%0.01321%0.211CC..Hα-helixtrans-62.3-46.7173.9169.6-101000112L936 L956 L960 E968 R969 K974 F975 V976 F994 L1040 L1055 I1059L936-F972 HydrophobicContact CD2-CE1 4.42Å; L956-F972 HydrophobicContact CD1-CE2 4.4Å; L960-F972 HydrophobicContact CD1-CD1 4.03Å; L960-F972 HydrophobicContact CD1-CE1 3.59Å; L960-F972 HydrophobicContact CD1-CE2 4.44Å; L960-F972 HydrophobicContact CD1-CZ 3.82Å; L960-F972 HydrophobicContact CD2-CB 4.14Å; L960-F972 HydrophobicContact CD2-CD1 3.77Å; L960-F972 HydrophobicContact CD2-CD2 4.04Å; L960-F972 HydrophobicContact CD2-CE1 4.16Å; L960-F972 HydrophobicContact CD2-CE2 4.41Å; L960-F972 HydrophobicContact CD2-CG 3.69Å; L960-F972 HydrophobicContact CD2-CZ 4.46Å; E968-F972 WeakPolarHBondContact O-CB 3.47Å; E968-F972 PolarHBondContact O-N 3.38Å; R969-F972 WeakPolarHBondContact O-CB 3.01Å; R969-F972 PolarHBondContact O-N 2.9Å; F972-K974 VanDerWaalsContact C-N 3.3Å; F972-K974 PolarHBondContact O-N 2.95Å; F972-F975 WeakPolarHBondContact O-CB 3.5Å; F972-F975 PolarHBondContact O-N 3.32Å; F972-V976 HydrophobicContact CD2-CG2 4.43Å; F972-V976 HydrophobicContact CE2-CG2 4Å; F972-V976 HydrophobicContact CZ-CG2 4.15Å; F972-V976 PolarHBondContact O-N 2.99Å; F972-V976 VanDerWaalsContact O-N 3.09Å; F972-F994 HydrophobicContact CE1-CE2 4.46Å; F972-F994 HydrophobicContact CE1-CZ 4.03Å; F972-F994 AromaticContact CZ-CZ 3.89Å; F972-F994 HydrophobicContact CZ-CZ 3.89Å; F972-L1040 HydrophobicContact CE2-CD2 3.99Å; F972-L1040 HydrophobicContact CZ-CD2 4.17Å; F972-L1055 HydrophobicContact CD2-CD1 4.06Å; F972-L1055 HydrophobicContact CD2-CD2 4.38Å; F972-L1055 HydrophobicContact CE2-CD1 4.13Å; F972-L1055 HydrophobicContact CE2-CD2 4.45Å; F972-I1059 HydrophobicContact CB-CG2 4.27Å; F972-I1059 HydrophobicContact CD2-CG2 4.3Å
973L88.6Confident86Confident2 Ų236 Ų361%0.0119%0.188CC..Hα-helixtrans-62.6-41.1176.8-175.264.9000110.9I931 R969 A970 F975 V976 T977 C979 F987I931-L973 HydrophobicContact CD1-CB 3.68Å; I931-L973 HydrophobicContact CD1-CD2 3.76Å; I931-L973 HydrophobicContact CD1-CG 4.33Å; I931-L973 HydrophobicContact CG1-CD2 3.99Å; R969-L973 PolarHBondContact O-N 3.46Å; A970-L973 PolarHBondContact O-N 2.82Å; L973-F975 VanDerWaalsContact C-N 3.35Å; L973-F975 PolarHBondContact O-N 2.91Å; L973-V976 PolarHBondContact O-N 2.94Å; L973-T977 HydrophobicContact CD1-CG2 3.63Å; L973-T977 HydrophobicContact CG-CG2 4.4Å; L973-T977 WeakPolarHBondContact O-CB 2.98Å; L973-T977 PolarHBondContact O-N 2.87Å; L973-T977 PolarHBondContact O-OG1 3.18Å; L973-C979 CarbonylContact C-O 3.46Å; L973-C979 VanDerWaalsContact C-O 3.23Å; L973-C979 WeakPolarHBondContact CG-O 3.39Å; L973-F987 HydrophobicContact CD1-CE1 3.7Å; L973-F987 HydrophobicContact CD1-CZ 4.07Å; L973-F987 HydrophobicContact CD2-CE1 4.27Å; L973-F987 HydrophobicContact CD2-CZ 4.13Å
974K85.6Confident85.7Confident77 Ų7734.6 Ų34.634%0.33518%0.18SC..Hα-helixtrans-63-41.1174.7-172.1168.2-175.5148.60111.9D793 A970 M971 F972 V976 S978 C979D793-K974 IonicContact OD2-NZ 3.33Å; D793-K974 PolarHBondContact OD2-NZ 3.41Å; A970-K974 WeakPolarHBondContact O-CB 3.27Å; A970-K974 PolarHBondContact O-N 3.23Å; M971-K974 PolarHBondContact O-N 3.31Å; F972-K974 VanDerWaalsContact C-N 3.3Å; F972-K974 PolarHBondContact O-N 2.95Å; K974-V976 VanDerWaalsContact C-N 3.29Å; K974-V976 PolarHBondContact O-N 2.84Å; K974-S978 WeakPolarHBondContact O-CA 3.13Å; K974-S978 PolarHBondContact O-N 3.15Å; K974-C979 VanDerWaalsContact CA-O 3.25Å; K974-C979 WeakPolarHBondContact CA-O 3.28Å; K974-C979 PolarHBondContact N-O 3.15Å; K974-C979 VanDerWaalsContact N-O 3.12Å
975F86Confident85.3Confident4 Ų435 Ų352%0.01818%0.183CC..Hα-helixtrans-60-39.3177.4176.3-105.9000111.8M971 F972 L973 S1033 T1035 L1040 A1058 I1059M971-F975 VanDerWaalsContact O-CB 3.27Å; M971-F975 WeakPolarHBondContact O-CB 3.16Å; M971-F975 PolarHBondContact O-N 3.47Å; F972-F975 WeakPolarHBondContact O-CB 3.5Å; F972-F975 PolarHBondContact O-N 3.32Å; L973-F975 VanDerWaalsContact C-N 3.35Å; L973-F975 PolarHBondContact O-N 2.91Å; F975-S1033 WeakPolarHBondContact O-CB 3.37Å; F975-S1033 PolarHBondContact O-OG 3.13Å; F975-T1035 WeakPolarHBondContact O-CG2 3.44Å; F975-L1040 HydrophobicContact CD1-CD1 4.31Å; F975-L1040 HydrophobicContact CE1-CD1 3.83Å; F975-A1058 HydrophobicContact CE2-CB 4.25Å; F975-A1058 HydrophobicContact CZ-CB 4.02Å; F975-I1059 HydrophobicContact CB-CB 4.31Å; F975-I1059 HydrophobicContact CB-CG2 3.82Å; F975-I1059 HydrophobicContact CD1-CG2 4.02Å; F975-I1059 HydrophobicContact CG-CG2 3.89Å
976V85.9Confident85Confident0 Ų031.8 Ų31.80%017%0.17CC..Hα-helixtrans-91.1-30.4-177.9-175.30000113.4F972 L973 K974 F994 T1035 N1038 L1040F972-V976 HydrophobicContact CD2-CG2 4.43Å; F972-V976 HydrophobicContact CE2-CG2 4Å; F972-V976 HydrophobicContact CZ-CG2 4.15Å; F972-V976 PolarHBondContact O-N 2.99Å; F972-V976 VanDerWaalsContact O-N 3.09Å; L973-V976 PolarHBondContact O-N 2.94Å; K974-V976 VanDerWaalsContact C-N 3.29Å; K974-V976 PolarHBondContact O-N 2.84Å; V976-F994 HydrophobicContact CB-CE2 3.66Å; V976-F994 HydrophobicContact CB-CZ 4.21Å; V976-F994 HydrophobicContact CG1-CD2 3.93Å; V976-F994 HydrophobicContact CG1-CE2 3.31Å; V976-F994 HydrophobicContact CG1-CZ 3.78Å; V976-F994 HydrophobicContact CG2-CE2 4.13Å; V976-F994 HydrophobicContact CG2-CZ 4.2Å; V976-T1035 VanDerWaalsContact O-CA 3.31Å; V976-T1035 WeakPolarHBondContact O-CA 3.22Å; V976-N1038 WeakPolarHBondContact O-CA 3.37Å; V976-L1040 HydrophobicContact CG1-CB 4.1Å; V976-L1040 HydrophobicContact CG2-CB 4.01Å; V976-L1040 HydrophobicContact CG2-CD1 3.95Å; V976-L1040 HydrophobicContact CG2-CG 4.41Å
977T80.7Confident85Confident4 Ų429.8 Ų29.83%0.02515%0.152CC..Hα-helixtrans-118.4-6.5-17072.80000114.6K732 L973 C979 L990 F994 N1038K732-T977 PolarHBondContact NZ-O 3.1Å; L973-T977 HydrophobicContact CD1-CG2 3.63Å; L973-T977 HydrophobicContact CG-CG2 4.4Å; L973-T977 WeakPolarHBondContact O-CB 2.98Å; L973-T977 PolarHBondContact O-N 2.87Å; L973-T977 PolarHBondContact O-OG1 3.18Å; T977-C979 PolarHBondContact O-N 2.9Å; T977-C979 PolarHBondContact OG1-N 2.99Å; T977-C979 PolarHBondContact OG1-O 3.42Å; T977-C979 VanDerWaalsContact OG1-O 3.1Å; T977-L990 HydrophobicContact CG2-CD2 4.19Å; T977-F994 HydrophobicContact CG2-CD2 4.03Å; T977-F994 HydrophobicContact CG2-CE2 4.35Å; T977-N1038 VanDerWaalsContact CA-OD1 3.28Å; T977-N1038 WeakPolarHBondContact CA-OD1 3.44Å; T977-N1038 VanDerWaalsContact CB-OD1 3.3Å; T977-N1038 WeakPolarHBondContact CB-OD1 3.38Å; T977-N1038 HydrophobicContact CG2-CB 4.21Å
978S79.5Confident85Confident12 Ų1225.5 Ų25.58%0.08414%0.142CC..SBendtrans61.26-167.2-166.10000115.4E736 K740 K974E736-S978 WeakPolarHBondContact OE2-CB 3.4Å; E736-S978 PolarHBondContact OE2-OG 3.49Å; K740-S978 PolarHBondContact NZ-OG 3.06Å; K974-S978 WeakPolarHBondContact O-CA 3.13Å; K974-S978 PolarHBondContact O-N 3.15Å
979C80.4Confident84.6Confident6 Ų629.9 Ų29.94%0.04116%0.157CC..  trans-117.8131.7173.3-170.40000110L973 K974 T977 R981L973-C979 CarbonylContact C-O 3.46Å; L973-C979 VanDerWaalsContact C-O 3.23Å; L973-C979 WeakPolarHBondContact CG-O 3.39Å; K974-C979 VanDerWaalsContact CA-O 3.25Å; K974-C979 WeakPolarHBondContact CA-O 3.28Å; K974-C979 PolarHBondContact N-O 3.15Å; K974-C979 VanDerWaalsContact N-O 3.12Å; T977-C979 PolarHBondContact O-N 2.9Å; T977-C979 PolarHBondContact OG1-N 2.99Å; T977-C979 PolarHBondContact OG1-O 3.42Å; T977-C979 VanDerWaalsContact OG1-O 3.1Å; C979-R981 PolarHBondContact O-N 2.98Å; C979-R981 PolarHBondContact SG-N 2.98Å; C979-R981 PolarHBondContact SG-O 3.41Å
980S81.4Confident84.2Confident28 Ų2828.5 Ų28.520%0.19615%0.154CC..SBendtrans-77.6-10.3175.351.50000113.2D793D793-S980 PolarHBondContact OD2-OG 2.87Å
981R84Confident83.4Confident69 Ų6933.7 Ų33.726%0.2617%0.171SC..SBendtrans-118.2138.8-170.1-67-173.8-160.4176.310.4111.8S925 D927 N928 C979S925-R981 WeakPolarHBondContact O-CB 3.35Å; S925-R981 WeakPolarHBondContact O-CD 3.31Å; D927-R981 VanDerWaalsContact O-CB 3.28Å; D927-R981 WeakPolarHBondContact O-CB 3.37Å; D927-R981 WeakPolarHBondContact O-CG 3.39Å; N928-R981 PolarHBondContact OD1-NH1 3.39Å; C979-R981 PolarHBondContact O-N 2.98Å; C979-R981 PolarHBondContact SG-N 2.98Å; C979-R981 PolarHBondContact SG-O 3.41Å
982P84.2Confident83Confident13 Ų1332.2 Ų32.28%0.08417%0.167CC..  trans-68.6155.4177.328.9-34.9000111.9G926 D927 F987G926-P982 WeakPolarHBondContact CA-O 3.1Å; D927-P982 HydrophobicContact CB-CG 4.35Å; D927-P982 PolarHBondContact N-O 2.79Å; D927-P982 WeakPolarHBondContact O-CD 3.3Å; P982-F987 HydrophobicContact CB-CE1 4.35Å; P982-F987 HydrophobicContact CB-CE2 4.06Å; P982-F987 HydrophobicContact CB-CZ 3.7Å
983P83.4Confident82.7Confident14 Ų1435 Ų359%0.09119%0.185CC..  trans-64.3144172-1931.4000112.3L985 G986 F987 L990P983-L985 PolarHBondContact O-N 3.23Å; P983-L985 VanDerWaalsContact O-N 3.08Å; P983-G986 PolarHBondContact O-N 3.37Å; P983-F987 HydrophobicContact CG-CD1 4.47Å; P983-L990 HydrophobicContact CG-CB 3.96Å; P983-L990 HydrophobicContact CG-CD1 3.55Å; P983-L990 HydrophobicContact CG-CG 4.33Å
984L81.6Confident82.7Confident27 Ų2735 Ų3514%0.14119%0.185CC..THydrogen-bonded Turntrans-57.1-26.4-177.6-80.2169.8000116.2V654 R922 L923 D927V654-L984 HydrophobicContact CG1-CB 4.41Å; V654-L984 HydrophobicContact CG2-CD1 4.03Å; R922-L984 HydrophobicContact CB-CD1 4.33Å; R922-L984 HydrophobicContact CB-CD2 4.14Å; R922-L984 WeakPolarHBondContact O-CD1 3.36Å; L923-L984 HydrophobicContact CB-CD1 4.43Å; L923-L984 HydrophobicContact CD1-CD1 4.27Å; D927-L984 HydrophobicContact CB-CD2 3.93Å
985L83.1Confident82.9Confident17 Ų1731.7 Ų31.79%0.08917%0.172CC..THydrogen-bonded Turntrans-102.911-179.3-62.7180000112.7K651 V654 L655 R658 P983 Y989K651-L985 HydrophobicContact CG-CD2 3.76Å; V654-L985 HydrophobicContact CB-CD2 4.07Å; V654-L985 HydrophobicContact CB-CG 4.47Å; V654-L985 HydrophobicContact CG1-CD1 3.95Å; V654-L985 HydrophobicContact CG1-CD2 3.94Å; V654-L985 HydrophobicContact CG1-CG 3.79Å; L655-L985 HydrophobicContact CD2-CD1 3.62Å; L655-L985 HydrophobicContact CD2-CD2 4.06Å; L655-L985 HydrophobicContact CD2-CG 4.46Å; L655-L985 HydrophobicContact CG-CD1 4.17Å; L655-L985 HydrophobicContact CG-CD2 3.86Å; R658-L985 HydrophobicContact CG-CD1 4.23Å; P983-L985 PolarHBondContact O-N 3.23Å; P983-L985 VanDerWaalsContact O-N 3.08Å; L985-Y989 HydrophobicContact CB-CD1 4.28Å; L985-Y989 HydrophobicContact CB-CD2 3.37Å; L985-Y989 HydrophobicContact CB-CE2 3.89Å; L985-Y989 HydrophobicContact CB-CG 3.59Å; L985-Y989 HydrophobicContact CD1-CD1 3.75Å; L985-Y989 HydrophobicContact CD1-CD2 4.26Å; L985-Y989 HydrophobicContact CD1-CE1 3.89Å; L985-Y989 HydrophobicContact CD1-CE2 4.39Å; L985-Y989 HydrophobicContact CD1-CG 3.94Å; L985-Y989 HydrophobicContact CG-CD2 4.47Å; L985-Y989 HydrophobicContact CG-CG 4.43Å; L985-Y989 WeakPolarHBondContact O-CD2 3.32Å
986G84.6Confident83.1Confident17 Ų1731.5 Ų31.518%0.17517%0.171CC..  trans85.5174.8-171.600000113D935 P983 A988 Y989D935-G986 VanDerWaalsContact OD2-CA 3.26Å; D935-G986 WeakPolarHBondContact OD2-CA 3.29Å; P983-G986 PolarHBondContact O-N 3.37Å; G986-A988 PolarHBondContact O-N 3Å; G986-Y989 PolarHBondContact O-N 3.19Å; G986-Y989 VanDerWaalsContact O-N 3.15Å
987F86.8Confident83.2Confident6 Ų637.6 Ų37.63%0.02619%0.194CC..G310 helixtrans-70.4-16.5-174-71.4-74.2000113.9I931 D935 L936 H939 L973 P982 P983 Y989 L990I931-F987 HydrophobicContact CG2-CE2 4.02Å; I931-F987 HydrophobicContact CG2-CZ 3.95Å; D935-F987 HydrophobicContact CB-CD2 4.38Å; D935-F987 PolarHBondContact OD2-N 3.47Å; L936-F987 VanDerWaalsContact CA-CD2 3.49Å; L936-F987 HydrophobicContact CB-CD2 3.57Å; L936-F987 HydrophobicContact CB-CE2 3.65Å; L936-F987 HydrophobicContact CB-CG 4.08Å; L936-F987 HydrophobicContact CB-CZ 4.23Å; L936-F987 HydrophobicContact CD1-CB 4.32Å; L936-F987 HydrophobicContact CD1-CD1 3.47Å; L936-F987 VanDerWaalsContact CD1-CD1 3.47Å; L936-F987 HydrophobicContact CD1-CD2 3.99Å; L936-F987 HydrophobicContact CD1-CE1 3.65Å; L936-F987 HydrophobicContact CD1-CE2 4.13Å; L936-F987 HydrophobicContact CD1-CG 3.65Å; L936-F987 HydrophobicContact CD1-CZ 3.96Å; L936-F987 HydrophobicContact CD2-CZ 4.4Å; L936-F987 HydrophobicContact CG-CD2 4.34Å; L936-F987 HydrophobicContact CG-CE2 4.3Å; L936-F987 HydrophobicContact CG-CG 4.45Å; L936-F987 HydrophobicContact CG-CZ 4.4Å; H939-F987 HydrophobicContact CB-CB 4.23Å; L973-F987 HydrophobicContact CD1-CE1 3.7Å; L973-F987 HydrophobicContact CD1-CZ 4.07Å; L973-F987 HydrophobicContact CD2-CE1 4.27Å; L973-F987 HydrophobicContact CD2-CZ 4.13Å; P982-F987 HydrophobicContact CB-CE1 4.35Å; P982-F987 HydrophobicContact CB-CE2 4.06Å; P982-F987 HydrophobicContact CB-CZ 3.7Å; P983-F987 HydrophobicContact CG-CD1 4.47Å; F987-Y989 PolarHBondContact O-N 3.48Å; F987-L990 HydrophobicContact CD1-CD2 4.26Å; F987-L990 WeakPolarHBondContact O-CB 3.09Å; F987-L990 PolarHBondContact O-N 2.89Å; F987-L990 VanDerWaalsContact O-N 3.1Å
988A85.6Confident83.2Confident56 Ų5638.1 Ų38.146%0.46320%0.198SC..G310 helixtrans-58.2-25.8169.700000113.4G986G986-A988 PolarHBondContact O-N 3Å
989Y81.3Confident83.1Confident122 Ų12238.6 Ų38.648%0.47820%0.2SC..G310 helixtrans-103.96.7-179.3-68.2-96.8000112.7L655 L985 G986 F987 K991L655-Y989 HydrophobicContact CD2-CE1 4.38Å; L985-Y989 HydrophobicContact CB-CD1 4.28Å; L985-Y989 HydrophobicContact CB-CD2 3.37Å; L985-Y989 HydrophobicContact CB-CE2 3.89Å; L985-Y989 HydrophobicContact CB-CG 3.59Å; L985-Y989 HydrophobicContact CD1-CD1 3.75Å; L985-Y989 HydrophobicContact CD1-CD2 4.26Å; L985-Y989 HydrophobicContact CD1-CE1 3.89Å; L985-Y989 HydrophobicContact CD1-CE2 4.39Å; L985-Y989 HydrophobicContact CD1-CG 3.94Å; L985-Y989 HydrophobicContact CG-CD2 4.47Å; L985-Y989 HydrophobicContact CG-CG 4.43Å; L985-Y989 WeakPolarHBondContact O-CD2 3.32Å; G986-Y989 PolarHBondContact O-N 3.19Å; G986-Y989 VanDerWaalsContact O-N 3.15Å; F987-Y989 PolarHBondContact O-N 3.48Å; Y989-K991 PolarHBondContact O-N 2.71Å
990L81.6Confident82.1Confident20 Ų2046.4 Ų46.411%0.10524%0.236CC..  trans-68.4123.9171.5-171.269.8000108.9T977 P983 F987 P992 F994 N1038T977-L990 HydrophobicContact CG2-CD2 4.19Å; P983-L990 HydrophobicContact CG-CB 3.96Å; P983-L990 HydrophobicContact CG-CD1 3.55Å; P983-L990 HydrophobicContact CG-CG 4.33Å; F987-L990 HydrophobicContact CD1-CD2 4.26Å; F987-L990 WeakPolarHBondContact O-CB 3.09Å; F987-L990 PolarHBondContact O-N 2.89Å; F987-L990 VanDerWaalsContact O-N 3.1Å; L990-P992 CarbonylContact C-O 3.55Å; L990-P992 WeakPolarHBondContact CG-O 3.47Å; L990-P992 CarbonylContact O-C 3.6Å; L990-P992 VanDerWaalsContact O-C 3.29Å; L990-F994 HydrophobicContact CD2-CB 3.95Å; L990-N1038 HydrophobicContact CD2-CB 4.14Å; L990-N1038 WeakPolarHBondContact CG-ND2 3.38Å
991K70.9Confident80.7Confident137 Ų13746.8 Ų46.860%0.59624%0.237SC*.SBendtrans-120.3123.7177-71.1-168.8175.3-172.20110.5Y989Y989-K991 PolarHBondContact O-N 2.71Å
992P77.5Confident79Confident43 Ų4347.1 Ų47.128%0.27925%0.25SC..SBendcis-62.4165.9-12.723.9-30.8000113.4L990 C1036 N1038L990-P992 CarbonylContact C-O 3.55Å; L990-P992 WeakPolarHBondContact CG-O 3.47Å; L990-P992 CarbonylContact O-C 3.6Å; L990-P992 VanDerWaalsContact O-C 3.29Å; P992-C1036 VanDerWaalsContact CG-O 3.3Å; P992-C1036 WeakPolarHBondContact CG-O 3.33Å; P992-N1038 PolarHBondContact O-ND2 2.98Å
993P83.7Confident77.1Confident61 Ų6150.9 Ų50.940%0.39627%0.269SS..PPolyproline II helixtrans-65.9149.6-179.327.7-35.2000112.1V941 S995V941-P993 HydrophobicContact CG2-CB 4.17Å; V941-P993 HydrophobicContact CG2-CG 4.32Å; P993-S995 PolarHBondContact O-N 3.13Å; P993-S995 PolarHBondContact O-OG 3.46Å
994F89.3Confident75.4Confident2 Ų253.9 Ų53.91%0.00928%0.284CS..PPolyproline II helixtrans-63.1127.3175.6-172.4-85.5000109.9L936 T940 V941 F972 V976 T977 L990 I996L936-F994 HydrophobicContact CD1-CB 3.98Å; L936-F994 HydrophobicContact CD1-CD1 4.09Å; L936-F994 HydrophobicContact CD1-CD2 3.83Å; L936-F994 HydrophobicContact CD1-CE2 4.29Å; L936-F994 HydrophobicContact CD1-CG 3.71Å; T940-F994 CarbonylContact C-O 3.5Å; T940-F994 WeakPolarHBondContact CA-O 3.49Å; T940-F994 HydrophobicContact CG2-CD1 3.81Å; T940-F994 HydrophobicContact CG2-CE1 4.2Å; T940-F994 WeakPolarHBondContact OG1-CD1 3.48Å; V941-F994 PolarHBondContact N-O 3.43Å; F972-F994 HydrophobicContact CE1-CE2 4.46Å; F972-F994 HydrophobicContact CE1-CZ 4.03Å; F972-F994 AromaticContact CZ-CZ 3.89Å; F972-F994 HydrophobicContact CZ-CZ 3.89Å; V976-F994 HydrophobicContact CB-CE2 3.66Å; V976-F994 HydrophobicContact CB-CZ 4.21Å; V976-F994 HydrophobicContact CG1-CD2 3.93Å; V976-F994 HydrophobicContact CG1-CE2 3.31Å; V976-F994 HydrophobicContact CG1-CZ 3.78Å; V976-F994 HydrophobicContact CG2-CE2 4.13Å; V976-F994 HydrophobicContact CG2-CZ 4.2Å; T977-F994 HydrophobicContact CG2-CD2 4.03Å; T977-F994 HydrophobicContact CG2-CE2 4.35Å; L990-F994 HydrophobicContact CD2-CB 3.95Å; F994-I996 HydrophobicContact CD1-CG1 4.4Å; F994-I996 HydrophobicContact CE1-CD1 4.02Å; F994-I996 HydrophobicContact CE1-CG1 3.76Å
995S89.1Confident73.8Confident8 Ų856.2 Ų56.26%0.05630%0.295CS..EExtended strand (participates in β ladder)trans-132145.3-169.8-61.70000111.6V941 P993 N1038 L1039 L1040V941-S995 CarbonylContact O-C 3.57Å; V941-S995 WeakPolarHBondContact O-CA 3.5Å; P993-S995 PolarHBondContact O-N 3.13Å; P993-S995 PolarHBondContact O-OG 3.46Å; S995-N1038 PolarHBondContact N-O 3.06Å; S995-L1039 CarbonylContact O-C 3.29Å; S995-L1039 WeakPolarHBondContact O-CA 3.28Å; S995-L1040 PolarHBondContact O-N 3.27Å
996I90.6Very high72.1Confident0 Ų058.7 Ų58.70%031%0.308CS..EExtended strand (participates in β ladder)trans-126.6125.4173.4-52.1-178.3000109.2T940 V941 Y942 Y943 F946 I953 L956 W957 F994 L1040 L1042T940-I996 HydrophobicContact CG2-CD1 3.86Å; T940-I996 HydrophobicContact CG2-CG1 3.76Å; V941-I996 PolarHBondContact O-N 3.33Å; Y942-I996 CarbonylContact C-O 3.6Å; Y942-I996 WeakPolarHBondContact CA-O 3.35Å; Y942-I996 HydrophobicContact CD1-CB 4.12Å; Y942-I996 HydrophobicContact CE1-CB 4.46Å; Y942-I996 HydrophobicContact CE1-CD1 4.01Å; Y943-I996 PolarHBondContact N-O 2.99Å; F946-I996 HydrophobicContact CD2-CG2 4.03Å; F946-I996 HydrophobicContact CE2-CG2 4.44Å; I953-I996 HydrophobicContact CD1-CD1 4.2Å; I953-I996 HydrophobicContact CD1-CG2 3.93Å; L956-I996 HydrophobicContact CD2-CD1 3.6Å; W957-I996 HydrophobicContact CZ2-CD1 4.38Å; F994-I996 HydrophobicContact CD1-CG1 4.4Å; F994-I996 HydrophobicContact CE1-CD1 4.02Å; F994-I996 HydrophobicContact CE1-CG1 3.76Å; I996-L1040 CarbonylContact C-O 3.6Å; I996-L1040 WeakPolarHBondContact CA-O 3.36Å; I996-L1040 HydrophobicContact CD1-CD2 4.41Å; I996-L1040 HydrophobicContact CG1-CB 4.26Å; I996-L1040 HydrophobicContact CG1-CD2 4.45Å; I996-L1040 HydrophobicContact CG2-CB 4.47Å; I996-L1040 HydrophobicContact CG2-CD2 4.43Å; I996-L1042 HydrophobicContact CG2-CB 4.14Å
997R87.4Confident70.6Confident127 Ų12761.8 Ų61.848%0.47932%0.324SS..EExtended strand (participates in β ladder)trans-117133.3176.7178.1173.1-179.9179.31.7110.6Y943 V999 L1039 L1040 K1041 L1042Y943-R997 WeakPolarHBondContact O-CA 3.33Å; R997-V999 PolarHBondContact O-N 3.41Å; R997-L1039 HydrophobicContact CB-CD1 3.74Å; R997-L1039 HydrophobicContact CB-CD2 4.47Å; R997-L1039 HydrophobicContact CB-CG 4.49Å; R997-L1040 PolarHBondContact N-O 3.38Å; R997-K1041 WeakPolarHBondContact O-CA 3.28Å; R997-L1042 PolarHBondContact O-N 2.92Å
998C82Confident69Low15 Ų1563.4 Ų63.410%0.10134%0.342CS..EExtended strand (participates in β ladder)trans-66.8128.7167.2-168.20000109.9Y943 G944 F946 L1042Y943-C998 PolarHBondContact O-N 3.23Å; G944-C998 WeakPolarHBondContact O-CB 3.48Å; F946-C998 HydrophobicContact CD1-CB 3.93Å; F946-C998 HydrophobicContact CD2-CB 3.73Å; F946-C998 HydrophobicContact CE1-CB 3.79Å; F946-C998 VanDerWaalsContact CE1-SG 3.57Å; F946-C998 VanDerWaalsContact CE2-CA 3.41Å; F946-C998 HydrophobicContact CE2-CB 3.59Å; F946-C998 HydrophobicContact CG-CB 3.91Å; F946-C998 HydrophobicContact CZ-CB 3.63Å; F946-C998 WeakPolarHBondContact CZ-SG 3.48Å; C998-L1042 WeakPolarHBondContact CA-O 3.5Å
999V77.3Confident67.5Low22 Ų2265.6 Ų65.613%0.13335%0.346CS..EExtended strand (participates in β ladder)trans-88.4119.9169-176.10000107.5R997 V1001 K1041 L1042R997-V999 PolarHBondContact O-N 3.41Å; V999-V1001 PolarHBondContact O-N 3.36Å; V999-V1001 VanDerWaalsContact O-N 3.14Å; V999-K1041 HydrophobicContact CG2-CB 3.56Å; V999-K1041 HydrophobicContact CG2-CG 4.36Å; V999-L1042 PolarHBondContact N-O 3.45Å
1000E58.3Low66.2Low171 Ų17161.5 Ų61.580%0.79933%0.334SS*.PPolyproline II helixtrans-58.9118.9171.1-71.2-179.4-177.700108.5
1001V52.7Low64.8Low36 Ų3668.4 Ų68.422%0.21837%0.37CS..PPolyproline II helixtrans-87.3151.5172.4-164.20000106.9V999 Q1005 P1043V999-V1001 PolarHBondContact O-N 3.36Å; V999-V1001 VanDerWaalsContact O-N 3.14Å; V1001-Q1005 HydrophobicContact CB-CB 4.11Å; V1001-Q1005 HydrophobicContact CG1-CB 3.64Å; V1001-Q1005 HydrophobicContact CG1-CG 3.96Å; V1001-P1043 HydrophobicContact CG2-CB 4.31Å
1002S47.5Very low63.9Low75 Ų7563.9 Ų63.952%0.52436%0.362SS..PPolyproline II helixtrans-49.9151.9173.650.40000111.4D1004 Q1005S1002-D1004 PolarHBondContact O-N 3.43Å; S1002-Q1005 PolarHBondContact O-N 3.12Å
1003D44.7Very low62.7Low93 Ų9362.9 Ų62.950%0.49736%0.356SS..THydrogen-bonded Turntrans-51.1-13.4-169.3-60.5-36.5000114.9R1016D1003-R1016 IonicContact OD1-CZ 3.51Å; D1003-R1016 IonicContact OD1-NE 3.4Å; D1003-R1016 IonicContact OD1-NH1 2.74Å; D1003-R1016 PolarHBondContact OD1-NH1 3.31Å; D1003-R1016 IonicContact OD1-NH2 2.78Å
1004D47.9Very low61.2Low76 Ų7665.2 Ų65.241%0.40637%0.369SS..THydrogen-bonded Turntrans-84.4-6.2179.5-54.6-67.6000115.7S1002 K1023S1002-D1004 PolarHBondContact O-N 3.43Å; D1004-K1023 WeakPolarHBondContact CB-O 3.43Å; D1004-K1023 PolarHBondContact OD1-N 3.47Å; D1004-K1023 VanDerWaalsContact OD1-O 3.11Å
1005Q48Very low59.3Low76 Ų7672.4 Ų72.436%0.35541%0.407SS..SBendtrans-123.50.8-178-61.9-172.423.600115.4V1001 S1002V1001-Q1005 HydrophobicContact CB-CB 4.11Å; V1001-Q1005 HydrophobicContact CG1-CB 3.64Å; V1001-Q1005 HydrophobicContact CG1-CG 3.96Å; S1002-Q1005 PolarHBondContact O-N 3.12Å
1006D47.9Very low57.5Low69 Ų6979.5 Ų79.537%0.36943%0.432SS..  trans-83.6116.8179.2-161.86000111.3G1008 S1013D1006-G1008 VanDerWaalsContact C-N 3.31Å; D1006-G1008 PolarHBondContact O-N 3.48Å; D1006-S1013 PolarHBondContact OD2-OG 2.94Å
1007T53.4Low55.5Low83 Ų8382.8 Ų82.851%0.50947%0.466SS..  trans-85.111.5-177.132.80000115
1008G52.2Low53.5Low39 Ų3984.9 Ų84.940%0.40248%0.479SS..SBendtrans92.39.3166.800000117D1006 S1013D1006-G1008 VanDerWaalsContact C-N 3.31Å; D1006-G1008 PolarHBondContact O-N 3.48Å; G1008-S1013 WeakPolarHBondContact CA-OG 3.4Å
1009D53.8Low51.7Low102 Ų10292.7 Ų92.755%0.54551%0.512SS..  trans-96.81.1-173-77.1-0.2000114.5R951R951-D1009 IonicContact CZ-OD2 2.62Å; R951-D1009 IonicContact NE-OD2 3.9Å; R951-D1009 IonicContact NH2-OD2 3.34Å; R951-D1009 PolarHBondContact NH2-OD2 3.39Å
1010T55.3Low49.8Very low37 Ų3797.8 Ų97.823%0.22754%0.543CS..SBendtrans-100.2148.6177.663.80000111.2G1012 S1013T1010-G1012 PolarHBondContact O-N 2.96Å; T1010-G1012 VanDerWaalsContact O-N 3.12Å; T1010-S1013 VanDerWaalsContact O-CB 3.25Å; T1010-S1013 WeakPolarHBondContact O-CB 3.27Å; T1010-S1013 PolarHBondContact O-N 3.16Å; T1010-S1013 PolarHBondContact OG1-N 3Å
1011L52.3Low49Very low164 Ų16498 Ų9886%0.85955%0.548SS*.Hα-helixtrans-55.6-28.5176.4-89.3156.9000113.2
1012G50.9Low48.4Very low43 Ų43107 Ų10744%0.44358%0.578SS.*Hα-helixtrans-72.2-30.9173.800000113.8T1010 V1014 L1015 R1016T1010-G1012 PolarHBondContact O-N 2.96Å; T1010-G1012 VanDerWaalsContact O-N 3.12Å; G1012-V1014 VanDerWaalsContact C-N 3.34Å; G1012-V1014 PolarHBondContact O-N 3.25Å; G1012-L1015 PolarHBondContact O-N 2.99Å; G1012-R1016 PolarHBondContact O-N 3.33Å
1013S51.7Low47.9Very low21 Ų21112.1 Ų112.115%0.14759%0.591CS.*Hα-helixtrans-66.3-32.3-179.1-120.60000112.9D1006 G1008 T1010 R1016 G1017D1006-S1013 PolarHBondContact OD2-OG 2.94Å; G1008-S1013 WeakPolarHBondContact CA-OG 3.4Å; T1010-S1013 VanDerWaalsContact O-CB 3.25Å; T1010-S1013 WeakPolarHBondContact O-CB 3.27Å; T1010-S1013 PolarHBondContact O-N 3.16Å; T1010-S1013 PolarHBondContact OG1-N 3Å; S1013-R1016 PolarHBondContact O-N 3.47Å; S1013-G1017 PolarHBondContact O-N 3.01Å
1014V52.3Low47.5Very low110 Ų110117.4 Ų117.467%0.66761%0.609SS**Hα-helixtrans-70.3-31.9178.2-1700000112.1G1012G1012-V1014 VanDerWaalsContact C-N 3.34Å; G1012-V1014 PolarHBondContact O-N 3.25Å
1015L50.1Low47Very low154 Ų154121.8 Ų121.881%0.80663%0.627SS**Hα-helixtrans-82.4-26.6177.7-74.7163.8000112.6G1012G1012-L1015 PolarHBondContact O-N 2.99Å
1016R51.9Low46.8Very low156 Ų156124.8 Ų124.859%0.58965%0.653SS**Hα-helixtrans-91.1-18.6-174.4-131.6176-168.3-161.4-4.5114.5D1003 G1012 S1013 F1018 F1019D1003-R1016 IonicContact OD1-CZ 3.51Å; D1003-R1016 IonicContact OD1-NE 3.4Å; D1003-R1016 IonicContact OD1-NH1 2.74Å; D1003-R1016 PolarHBondContact OD1-NH1 3.31Å; D1003-R1016 IonicContact OD1-NH2 2.78Å; G1012-R1016 PolarHBondContact O-N 3.33Å; S1013-R1016 PolarHBondContact O-N 3.47Å; R1016-F1018 PolarHBondContact O-N 2.96Å; R1016-F1019 PolarHBondContact O-N 3.41Å
1017G47.2Very low47Very low69 Ų69124.4 Ų124.471%0.71167%0.666SS**THydrogen-bonded Turntrans-63.1-2.5-178.900000116.8S1013S1013-G1017 PolarHBondContact O-N 3.01Å
1018F45.8Very low47.4Very low171 Ų171121.6 Ų121.675%0.7565%0.653SS**THydrogen-bonded Turntrans-91.8-14.5-179.1-85.2-83.7000115.3R1016R1016-F1018 PolarHBondContact O-N 2.96Å
1019F43.8Very low48.4Very low179 Ų179124.8 Ų124.879%0.78565%0.653SS**SBendtrans-148.1100.8-177-69.6-86000111.8R1016R1016-F1019 PolarHBondContact O-N 3.41Å
1020T38.7Very low49.8Very low130 Ų130121.8 Ų121.880%0.79864%0.637SS**  trans151.8156.2138.643.10000115.2
1021I41.7Very low51.2Low174 Ų174120 Ų12089%0.89263%0.626SS**  trans-99.1145.9-166.8-69.8166.5000111.1
1022R39.4Very low52.7Low225 Ų225113.3 Ų113.385%0.84959%0.592SS**  trans-75.3146.5-165.3-60.1172.1175.7172.1-2.1116.7
1023K36.4Very low54.2Low183 Ų183111.8 Ų111.880%0.79657%0.574SS**  trans-147.5126.1154-125.4-177.5-176.9-176.90112.4D1004D1004-K1023 WeakPolarHBondContact CB-O 3.43Å; D1004-K1023 PolarHBondContact OD1-N 3.47Å; D1004-K1023 VanDerWaalsContact OD1-O 3.11Å
1024K36.8Very low55.5Low204 Ų204111.2 Ų111.289%0.88757%0.57SS**  trans-97.9117.4-166.1-154.6179.2-171-179.20112.2
1025E38.5Very low56.6Low169 Ų169107.2 Ų107.279%0.7955%0.546SS*.  trans-108.4132.5165.6-74.5-155165.700112.6G1027E1025-G1027 PolarHBondContact O-N 2.99Å
1026P42.5Very low57.5Low139 Ų139100 Ų10090%0.90351%0.509SS*.SBendtrans-95.891.3-179.134.7-28.3000111.4
1027G52.6Low58.6Low61 Ų6195.6 Ų95.663%0.62949%0.494SS*.  trans169.764174.800000114.2E1025E1025-G1027 PolarHBondContact O-N 2.99Å
1028G62Low60.4Low24 Ų2492.3 Ų92.325%0.24746%0.46CS..PPolyproline II helixtrans-48142-178.200000114.3K1054G1028-K1054 PolarHBondContact O-NZ 3.25Å; G1028-K1054 VanDerWaalsContact O-NZ 3.16Å
1029R73.7Confident62.3Low105 Ų10585.2 Ų85.240%0.39643%0.43SS..PPolyproline II helixtrans-52.6145.1-179.8-165.9174-176.41598.1111.2P1043 Y1045 S1068R1029-P1043 HydrophobicContact CB-CG 4.21Å; R1029-Y1045 PolarHBondContact O-OH 3.28Å; R1029-S1068 PolarHBondContact NH2-OXT 3.12Å
1030L81.5Confident64.5Low39 Ų3976.7 Ų76.720%0.20439%0.392CS..PPolyproline II helixtrans-71.9153.9172.9-76.6165.3000110.9T1032 K1054 Y1057L1030-T1032 PolarHBondContact O-N 3.45Å; L1030-K1054 HydrophobicContact CD2-CB 4.19Å; L1030-K1054 HydrophobicContact CD2-CD 3.43Å; L1030-K1054 VanDerWaalsContact CD2-CD 3.43Å; L1030-K1054 HydrophobicContact CD2-CG 4.44Å; L1030-K1054 HydrophobicContact CG-CD 4.32Å; L1030-Y1057 HydrophobicContact CD1-CD1 4.04Å; L1030-Y1057 HydrophobicContact CD1-CE1 4.01Å; L1030-Y1057 HydrophobicContact CD2-CD1 3.81Å
1031P85.4Confident66.8Low0 Ų073.6 Ų73.60%037%0.368CS..PPolyproline II helixtrans-59.2136.7164.2-13.830.3000108.4L1040 L1042 Y1045 L1055 A1058P1031-L1040 HydrophobicContact CB-CD1 4.34Å; P1031-L1042 HydrophobicContact CB-CD1 3.96Å; P1031-L1042 HydrophobicContact CG-CD1 4.1Å; P1031-Y1045 WeakPolarHBondContact CD-OH 3.37Å; P1031-Y1045 HydrophobicContact CG-CE2 4.28Å; P1031-Y1045 WeakPolarHBondContact CG-OH 3.49Å; P1031-L1055 HydrophobicContact CB-CD1 4.43Å; P1031-L1055 HydrophobicContact CG-CD1 4.3Å; P1031-A1058 HydrophobicContact CG-CB 4.42Å
1032T83.4Confident68.9Low23 Ų2365.3 Ų65.314%0.14133%0.325CS..EExtended strand (participates in β ladder)trans-121.8162.3174.5500000108.7L1030 K1041L1030-T1032 PolarHBondContact O-N 3.45Å; T1032-K1041 PolarHBondContact N-O 2.93Å; T1032-K1041 WeakPolarHBondContact O-CA 3.21Å; T1032-K1041 WeakPolarHBondContact O-CB 3.36Å; T1032-K1041 PolarHBondContact O-N 3.18Å; T1032-K1041 WeakPolarHBondContact OG1-CB 3.38Å
1033S83.2Confident71.1Confident11 Ų1154.9 Ų54.98%0.07729%0.287CS..EExtended strand (participates in β ladder)trans-127.6156.7176.760.30000111F975 L1039F975-S1033 WeakPolarHBondContact O-CB 3.37Å; F975-S1033 PolarHBondContact O-OG 3.13Å; S1033-L1039 CarbonylContact C-O 3.35Å; S1033-L1039 VanDerWaalsContact CA-O 3.29Å; S1033-L1039 WeakPolarHBondContact CA-O 3.49Å
1034S78.8Confident73.3Confident9 Ų947 Ų476%0.06325%0.253CS..EExtended strand (participates in β ladder)trans-124.688.7165.4-58.80000106.4C1036 F1037 N1038 L1039 K1041S1034-C1036 PolarHBondContact O-N 2.95Å; S1034-C1036 VanDerWaalsContact O-N 3.17Å; S1034-F1037 PolarHBondContact O-N 2.66Å; S1034-N1038 PolarHBondContact O-N 3.05Å; S1034-L1039 PolarHBondContact N-O 2.73Å; S1034-L1039 PolarHBondContact O-N 3.23Å; S1034-L1039 VanDerWaalsContact O-N 3.11Å; S1034-K1041 WeakPolarHBondContact OG-CE 3.43Å; S1034-K1041 PolarHBondContact OG-NZ 2.81Å; S1034-K1041 VanDerWaalsContact OG-NZ 3.15Å
1035T75.6Confident75.5Confident26 Ų2637.8 Ų37.816%0.1621%0.213CC..G310 helixtrans-59.2-27.4-172.452.50000113.2K732 F975 V976 F1037 N1038K732-T1035 PolarHBondContact NZ-O 2.65Å; F975-T1035 WeakPolarHBondContact O-CG2 3.44Å; V976-T1035 VanDerWaalsContact O-CA 3.31Å; V976-T1035 WeakPolarHBondContact O-CA 3.22Å; T1035-F1037 PolarHBondContact O-N 3.4Å; T1035-N1038 PolarHBondContact O-N 2.88Å; T1035-N1038 PolarHBondContact O-OD1 3.26Å
1036C68.9Low77.5Confident2 Ų233.3 Ų33.31%0.01420%0.201CC..G310 helixtrans-56.8-36.9173.8-17.70000112.2G729 E733 P992 S1034G729-C1036 WeakPolarHBondContact O-CB 3.47Å; E733-C1036 HydrophobicContact CB-CB 3.99Å; E733-C1036 VanDerWaalsContact CB-SG 3.56Å; E733-C1036 PolarHBondContact OE2-SG 3.28Å; P992-C1036 VanDerWaalsContact CG-O 3.3Å; P992-C1036 WeakPolarHBondContact CG-O 3.33Å; S1034-C1036 PolarHBondContact O-N 2.95Å; S1034-C1036 VanDerWaalsContact O-N 3.17Å
1037F75.6Confident79.5Confident65 Ų6532.9 Ų32.929%0.28519%0.185SC..G310 helixtrans-104.64.5-179.1-63-81000113.2G729 S1034 T1035 L1039G729-F1037 VanDerWaalsContact CA-CE1 3.46Å; S1034-F1037 PolarHBondContact O-N 2.66Å; T1035-F1037 PolarHBondContact O-N 3.4Å; F1037-L1039 HydrophobicContact CB-CB 3.86Å; F1037-L1039 PolarHBondContact O-N 2.98Å
1038N84.3Confident81.1Confident0 Ų033 Ų330%017%0.168CC..THydrogen-bonded Turntrans49.239.6-167.5-63.4-37.6000111.7K732 V976 T977 L990 P992 S995 S1034 T1035K732-N1038 PolarHBondContact NZ-OD1 3.36Å; V976-N1038 WeakPolarHBondContact O-CA 3.37Å; T977-N1038 VanDerWaalsContact CA-OD1 3.28Å; T977-N1038 WeakPolarHBondContact CA-OD1 3.44Å; T977-N1038 VanDerWaalsContact CB-OD1 3.3Å; T977-N1038 WeakPolarHBondContact CB-OD1 3.38Å; T977-N1038 HydrophobicContact CG2-CB 4.21Å; L990-N1038 HydrophobicContact CD2-CB 4.14Å; L990-N1038 WeakPolarHBondContact CG-ND2 3.38Å; P992-N1038 PolarHBondContact O-ND2 2.98Å; S995-N1038 PolarHBondContact N-O 3.06Å; S1034-N1038 PolarHBondContact O-N 3.05Å; T1035-N1038 PolarHBondContact O-N 2.88Å; T1035-N1038 PolarHBondContact O-OD1 3.26Å
1039L85.5Confident82.2Confident21 Ų2134.6 Ų34.611%0.1118%0.175CC..EExtended strand (participates in β ladder)trans-106.1119.3-169.8177.465.2000111.3S995 R997 S1033 S1034 F1037 K1041S995-L1039 CarbonylContact O-C 3.29Å; S995-L1039 WeakPolarHBondContact O-CA 3.28Å; R997-L1039 HydrophobicContact CB-CD1 3.74Å; R997-L1039 HydrophobicContact CB-CD2 4.47Å; R997-L1039 HydrophobicContact CB-CG 4.49Å; S1033-L1039 CarbonylContact C-O 3.35Å; S1033-L1039 VanDerWaalsContact CA-O 3.29Å; S1033-L1039 WeakPolarHBondContact CA-O 3.49Å; S1034-L1039 PolarHBondContact N-O 2.73Å; S1034-L1039 PolarHBondContact O-N 3.23Å; S1034-L1039 VanDerWaalsContact O-N 3.11Å; F1037-L1039 HydrophobicContact CB-CB 3.86Å; F1037-L1039 PolarHBondContact O-N 2.98Å; L1039-K1041 HydrophobicContact CD2-CG 4.27Å; L1039-K1041 HydrophobicContact CG-CG 4.34Å
1040L89.5Confident82.8Confident0 Ų032.6 Ų32.60%017%0.171CC..EExtended strand (participates in β ladder)trans-88.8117.7166.8179.866.5000109.7L956 F972 F975 V976 S995 I996 R997 P1031 L1042L956-L1040 HydrophobicContact CD2-CD2 4.01Å; F972-L1040 HydrophobicContact CE2-CD2 3.99Å; F972-L1040 HydrophobicContact CZ-CD2 4.17Å; F975-L1040 HydrophobicContact CD1-CD1 4.31Å; F975-L1040 HydrophobicContact CE1-CD1 3.83Å; V976-L1040 HydrophobicContact CG1-CB 4.1Å; V976-L1040 HydrophobicContact CG2-CB 4.01Å; V976-L1040 HydrophobicContact CG2-CD1 3.95Å; V976-L1040 HydrophobicContact CG2-CG 4.41Å; S995-L1040 PolarHBondContact O-N 3.27Å; I996-L1040 CarbonylContact C-O 3.6Å; I996-L1040 WeakPolarHBondContact CA-O 3.36Å; I996-L1040 HydrophobicContact CD1-CD2 4.41Å; I996-L1040 HydrophobicContact CG1-CB 4.26Å; I996-L1040 HydrophobicContact CG1-CD2 4.45Å; I996-L1040 HydrophobicContact CG2-CB 4.47Å; I996-L1040 HydrophobicContact CG2-CD2 4.43Å; R997-L1040 PolarHBondContact N-O 3.38Å; P1031-L1040 HydrophobicContact CB-CD1 4.34Å; L1040-L1042 HydrophobicContact CD2-CB 4.45Å; L1040-L1042 HydrophobicContact CD2-CD1 4.45Å; L1040-L1042 HydrophobicContact CG-CB 4.28Å
1041K87.2Confident83.1Confident65 Ų6530.7 Ų30.728%0.28316%0.162SC..EExtended strand (participates in β ladder)trans-91.9101.6172.6-70.5178.3-176.11720108.2R997 V999 T1032 S1034 L1039R997-K1041 WeakPolarHBondContact O-CA 3.28Å; V999-K1041 HydrophobicContact CG2-CB 3.56Å; V999-K1041 HydrophobicContact CG2-CG 4.36Å; T1032-K1041 PolarHBondContact N-O 2.93Å; T1032-K1041 WeakPolarHBondContact O-CA 3.21Å; T1032-K1041 WeakPolarHBondContact O-CB 3.36Å; T1032-K1041 PolarHBondContact O-N 3.18Å; T1032-K1041 WeakPolarHBondContact OG1-CB 3.38Å; S1034-K1041 WeakPolarHBondContact OG-CE 3.43Å; S1034-K1041 PolarHBondContact OG-NZ 2.81Å; S1034-K1041 VanDerWaalsContact OG-NZ 3.15Å; L1039-K1041 HydrophobicContact CD2-CG 4.27Å; L1039-K1041 HydrophobicContact CG-CG 4.34Å
1042L86.4Confident83.4Confident0 Ų034.4 Ų34.40%018%0.176CC..EExtended strand (participates in β ladder)trans-112.1121-170.9-169.669.7000111F946 V952 L956 I996 R997 C998 V999 P1031 L1040 Y1045 L1051F946-L1042 HydrophobicContact CE2-CB 4.04Å; F946-L1042 HydrophobicContact CE2-CD2 4.42Å; F946-L1042 HydrophobicContact CE2-CG 4.5Å; F946-L1042 WeakPolarHBondContact CE2-O 3.26Å; V952-L1042 HydrophobicContact CG1-CD2 3.72Å; V952-L1042 HydrophobicContact CG1-CG 4.33Å; L956-L1042 HydrophobicContact CD2-CD2 4.24Å; I996-L1042 HydrophobicContact CG2-CB 4.14Å; R997-L1042 PolarHBondContact O-N 2.92Å; C998-L1042 WeakPolarHBondContact CA-O 3.5Å; V999-L1042 PolarHBondContact N-O 3.45Å; P1031-L1042 HydrophobicContact CB-CD1 3.96Å; P1031-L1042 HydrophobicContact CG-CD1 4.1Å; L1040-L1042 HydrophobicContact CD2-CB 4.45Å; L1040-L1042 HydrophobicContact CD2-CD1 4.45Å; L1040-L1042 HydrophobicContact CG-CB 4.28Å; L1042-Y1045 HydrophobicContact CD1-CE2 3.91Å; L1042-Y1045 HydrophobicContact CG-CE2 4.48Å; L1042-L1051 HydrophobicContact CD1-CD1 3.71Å; L1042-L1051 HydrophobicContact CD2-CD1 4.39Å; L1042-L1051 HydrophobicContact CG-CD1 4.46Å
1043P85.7Confident83.6Confident6 Ų637.1 Ų37.14%0.03919%0.189CC..EExtended strand (participates in β ladder)trans-64.7152.3171.7-23.834.9000112.7V1001 R1029 Y1045V1001-P1043 HydrophobicContact CG2-CB 4.31Å; R1029-P1043 HydrophobicContact CB-CG 4.21Å; P1043-Y1045 VanDerWaalsContact C-N 3.31Å; P1043-Y1045 HydrophobicContact CB-CE1 4.17Å; P1043-Y1045 HydrophobicContact CB-CE2 4.1Å; P1043-Y1045 HydrophobicContact CG-CE1 4.42Å; P1043-Y1045 HydrophobicContact CG-CE2 4.21Å; P1043-Y1045 VanDerWaalsContact O-CD2 3.26Å; P1043-Y1045 WeakPolarHBondContact O-CD2 3.39Å; P1043-Y1045 PolarHBondContact O-N 3.01Å
1044N82.9Confident83.8Confident17 Ų1740 Ų409%0.09120%0.2CC..  trans-76.478.8174.1-168.714.4000111.2V952V952-N1044 VanDerWaalsContact CG2-OD1 3.22Å; V952-N1044 WeakPolarHBondContact CG2-OD1 3.33Å
1045Y83.4Confident84.3Confident12 Ų1239.5 Ų39.55%0.04720%0.197CC..  trans-66.4143.3-178.2-63.7-73.2000113.2W955 R1029 P1031 L1042 P1043 I1050 L1051 K1054W955-Y1045 WeakPolarHBondContact CZ3-O 3.42Å; R1029-Y1045 PolarHBondContact O-OH 3.28Å; P1031-Y1045 WeakPolarHBondContact CD-OH 3.37Å; P1031-Y1045 HydrophobicContact CG-CE2 4.28Å; P1031-Y1045 WeakPolarHBondContact CG-OH 3.49Å; L1042-Y1045 HydrophobicContact CD1-CE2 3.91Å; L1042-Y1045 HydrophobicContact CG-CE2 4.48Å; P1043-Y1045 VanDerWaalsContact C-N 3.31Å; P1043-Y1045 HydrophobicContact CB-CE1 4.17Å; P1043-Y1045 HydrophobicContact CB-CE2 4.1Å; P1043-Y1045 HydrophobicContact CG-CE1 4.42Å; P1043-Y1045 HydrophobicContact CG-CE2 4.21Å; P1043-Y1045 VanDerWaalsContact O-CD2 3.26Å; P1043-Y1045 WeakPolarHBondContact O-CD2 3.39Å; P1043-Y1045 PolarHBondContact O-N 3.01Å; Y1045-I1050 HydrophobicContact CD1-CG2 3.73Å; Y1045-I1050 HydrophobicContact CE1-CG2 4.21Å; Y1045-I1050 HydrophobicContact CG-CG2 4.5Å; Y1045-L1051 HydrophobicContact CD2-CB 3.89Å; Y1045-L1051 HydrophobicContact CD2-CD1 3.6Å; Y1045-L1051 HydrophobicContact CD2-CG 4.29Å; Y1045-L1051 HydrophobicContact CE2-CD1 3.69Å; Y1045-L1051 HydrophobicContact CG-CB 4.25Å; Y1045-K1054 HydrophobicContact CE1-CB 4.45Å; Y1045-K1054 HydrophobicContact CE1-CG 4.34Å
1046S79.2Confident85Confident75 Ų7542 Ų4252%0.52420%0.204SC..SBendtrans-79.3-20.9-179.4550000114.7
1047K84.2Confident85.9Confident130 Ų13047.5 Ų47.557%0.56523%0.225SC*.SBendtrans-139.3143.8-178.2-62.7-177.4179.8-179.70111.7S1049 I1050 L1051K1047-S1049 VanDerWaalsContact C-N 3.34Å; K1047-S1049 PolarHBondContact O-N 2.89Å; K1047-I1050 HydrophobicContact CB-CD1 3.98Å; K1047-I1050 HydrophobicContact CB-CG1 4.08Å; K1047-I1050 HydrophobicContact CD-CD1 4.2Å; K1047-I1050 HydrophobicContact CG-CD1 4.25Å; K1047-I1050 PolarHBondContact O-N 3.41Å; K1047-L1051 PolarHBondContact O-N 3.12Å
1048K86.2Confident86.4Confident63 Ų6344.4 Ų44.427%0.27421%0.211SC..Hα-helixtrans-56.8-42.3175.3-175.2-177.8176.7-1650112.7W955 D958 I959 D963 I1050 L1051 R1052W955-K1048 HydrophobicContact CB-CB 4.45Å; W955-K1048 HydrophobicContact CB-CG 4.09Å; W955-K1048 HydrophobicContact CD2-CB 3.91Å; W955-K1048 HydrophobicContact CD2-CG 4.48Å; W955-K1048 HydrophobicContact CE3-CB 4.27Å; W955-K1048 HydrophobicContact CG-CB 3.99Å; W955-K1048 HydrophobicContact CG-CD 4.47Å; W955-K1048 HydrophobicContact CG-CG 4.04Å; D958-K1048 IonicContact OD1-NZ 3.34Å; D958-K1048 WeakPolarHBondContact OD2-CE 3.46Å; D958-K1048 IonicContact OD2-NZ 3.99Å; D958-K1048 PolarHBondContact OD2-NZ 2.74Å; I959-K1048 HydrophobicContact CD1-CG 3.96Å; I959-K1048 HydrophobicContact CG1-CG 4.13Å; D963-K1048 IonicContact OD2-NZ 2.99Å; K1048-I1050 VanDerWaalsContact C-N 3.34Å; K1048-I1050 PolarHBondContact O-N 3.19Å; K1048-L1051 PolarHBondContact O-N 3.36Å; K1048-R1052 PolarHBondContact O-N 3.32Å
1049S86.1Confident86.6Confident58 Ų5844.8 Ų44.841%0.40621%0.213SC..Hα-helixtrans-62.7-38.9179.8560000112.9K1047 R1052 D1053K1047-S1049 VanDerWaalsContact C-N 3.34Å; K1047-S1049 PolarHBondContact O-N 2.89Å; S1049-R1052 PolarHBondContact O-N 3.05Å; S1049-D1053 VanDerWaalsContact O-CG 3.24Å; S1049-D1053 PolarHBondContact O-N 3.14Å
1050I86.1Confident86.4Confident62 Ų6247 Ų4732%0.31823%0.231SC..Hα-helixtrans-64.8-44.7177.5-61.6173.6000110.1Y1045 K1047 K1048 R1052 K1054Y1045-I1050 HydrophobicContact CD1-CG2 3.73Å; Y1045-I1050 HydrophobicContact CE1-CG2 4.21Å; Y1045-I1050 HydrophobicContact CG-CG2 4.5Å; K1047-I1050 HydrophobicContact CB-CD1 3.98Å; K1047-I1050 HydrophobicContact CB-CG1 4.08Å; K1047-I1050 HydrophobicContact CD-CD1 4.2Å; K1047-I1050 HydrophobicContact CG-CD1 4.25Å; K1047-I1050 PolarHBondContact O-N 3.41Å; K1048-I1050 VanDerWaalsContact C-N 3.34Å; K1048-I1050 PolarHBondContact O-N 3.19Å; I1050-R1052 PolarHBondContact O-N 3.47Å; I1050-K1054 HydrophobicContact CG2-CG 4.13Å; I1050-K1054 WeakPolarHBondContact O-CB 3.45Å; I1050-K1054 VanDerWaalsContact O-CG 3.23Å; I1050-K1054 WeakPolarHBondContact O-CG 3.1Å; I1050-K1054 PolarHBondContact O-N 2.84Å
1051L88.3Confident85.6Confident0 Ų052.2 Ų52.20%026%0.256CS..Hα-helixtrans-58-47.7174.8170.261.1000111.1V952 W955 L956 I959 L1042 Y1045 K1047 K1048 L1055V952-L1051 HydrophobicContact CG1-CD2 4.18Å; W955-L1051 HydrophobicContact CB-CD2 3.83Å; L956-L1051 HydrophobicContact CB-CD2 4.24Å; I959-L1051 HydrophobicContact CD1-CB 4.08Å; I959-L1051 HydrophobicContact CD1-CD2 3.69Å; I959-L1051 HydrophobicContact CD1-CG 3.64Å; L1042-L1051 HydrophobicContact CD1-CD1 3.71Å; L1042-L1051 HydrophobicContact CD2-CD1 4.39Å; L1042-L1051 HydrophobicContact CG-CD1 4.46Å; Y1045-L1051 HydrophobicContact CD2-CB 3.89Å; Y1045-L1051 HydrophobicContact CD2-CD1 3.6Å; Y1045-L1051 HydrophobicContact CD2-CG 4.29Å; Y1045-L1051 HydrophobicContact CE2-CD1 3.69Å; Y1045-L1051 HydrophobicContact CG-CB 4.25Å; K1047-L1051 PolarHBondContact O-N 3.12Å; K1048-L1051 PolarHBondContact O-N 3.36Å; L1051-L1055 WeakPolarHBondContact O-CB 3.36Å; L1051-L1055 PolarHBondContact O-N 2.97Å
1052R90.6Very high84.2Confident77 Ų7754.3 Ų54.329%0.29127%0.271SS..Hα-helixtrans-58.2-53.4179.8-176.7-164.567-169.4-1.6111.8I959 K1048 S1049 I1050 L1055 R1056I959-R1052 HydrophobicContact CD1-CB 3.8Å; I959-R1052 HydrophobicContact CG1-CB 4.09Å; I959-R1052 HydrophobicContact CG1-CG 4.47Å; I959-R1052 HydrophobicContact CG2-CB 4.23Å; I959-R1052 HydrophobicContact CG2-CG 3.97Å; K1048-R1052 PolarHBondContact O-N 3.32Å; S1049-R1052 PolarHBondContact O-N 3.05Å; I1050-R1052 PolarHBondContact O-N 3.47Å; R1052-L1055 PolarHBondContact O-N 3.11Å; R1052-R1056 WeakPolarHBondContact O-CB 3.39Å; R1052-R1056 PolarHBondContact O-N 2.63Å
1053D87.9Confident82.5Confident81 Ų8156.3 Ų56.343%0.43328%0.283SS..Hα-helixtrans-68.8-39.7-173.6-60.7-17.2000111S1049 Y1057S1049-D1053 VanDerWaalsContact O-CG 3.24Å; S1049-D1053 PolarHBondContact O-N 3.14Å; D1053-Y1057 VanDerWaalsContact O-CB 3.32Å; D1053-Y1057 WeakPolarHBondContact O-CB 3.4Å; D1053-Y1057 PolarHBondContact O-N 2.64Å
1054K87.3Confident80.6Confident70 Ų7057.9 Ų57.930%0.30430%0.3SS..Hα-helixtrans-69.8-37.6176.5-71.2-83.2178.3165.10112.6G1028 L1030 Y1045 I1050 A1058G1028-K1054 PolarHBondContact O-NZ 3.25Å; G1028-K1054 VanDerWaalsContact O-NZ 3.16Å; L1030-K1054 HydrophobicContact CD2-CB 4.19Å; L1030-K1054 HydrophobicContact CD2-CD 3.43Å; L1030-K1054 VanDerWaalsContact CD2-CD 3.43Å; L1030-K1054 HydrophobicContact CD2-CG 4.44Å; L1030-K1054 HydrophobicContact CG-CD 4.32Å; Y1045-K1054 HydrophobicContact CE1-CB 4.45Å; Y1045-K1054 HydrophobicContact CE1-CG 4.34Å; I1050-K1054 HydrophobicContact CG2-CG 4.13Å; I1050-K1054 WeakPolarHBondContact O-CB 3.45Å; I1050-K1054 VanDerWaalsContact O-CG 3.23Å; I1050-K1054 WeakPolarHBondContact O-CG 3.1Å; I1050-K1054 PolarHBondContact O-N 2.84Å; K1054-A1058 WeakPolarHBondContact O-CB 3.26Å; K1054-A1058 PolarHBondContact O-N 3.49Å
1055L89.1Confident78.7Confident0 Ų061.7 Ų61.70%032%0.316CS..Hα-helixtrans-67.5-47.9175.9-176.764.4000111.1L956 L960 F964 F972 P1031 L1051 R1052 Y1057 A1058 I1059L956-L1055 HydrophobicContact CD1-CD2 3.52Å; L960-L1055 HydrophobicContact CD2-CD2 4.48Å; F964-L1055 HydrophobicContact CE2-CD2 4.07Å; F964-L1055 HydrophobicContact CE2-CG 4.28Å; F964-L1055 HydrophobicContact CZ-CB 4.48Å; F964-L1055 HydrophobicContact CZ-CD2 3.99Å; F964-L1055 HydrophobicContact CZ-CG 4.08Å; F972-L1055 HydrophobicContact CD2-CD1 4.06Å; F972-L1055 HydrophobicContact CD2-CD2 4.38Å; F972-L1055 HydrophobicContact CE2-CD1 4.13Å; F972-L1055 HydrophobicContact CE2-CD2 4.45Å; P1031-L1055 HydrophobicContact CB-CD1 4.43Å; P1031-L1055 HydrophobicContact CG-CD1 4.3Å; L1051-L1055 WeakPolarHBondContact O-CB 3.36Å; L1051-L1055 PolarHBondContact O-N 2.97Å; R1052-L1055 PolarHBondContact O-N 3.11Å; L1055-Y1057 VanDerWaalsContact C-N 3.28Å; L1055-Y1057 PolarHBondContact O-N 3.46Å; L1055-A1058 PolarHBondContact O-N 3.26Å; L1055-A1058 VanDerWaalsContact O-N 3.15Å; L1055-I1059 HydrophobicContact CD1-CG2 4.23Å; L1055-I1059 WeakPolarHBondContact O-CG1 3.44Å; L1055-I1059 WeakPolarHBondContact O-CG2 3.31Å; L1055-I1059 PolarHBondContact O-N 2.83Å
1056R90.1Very high76.4Confident77 Ų7770 Ų7029%0.29136%0.355SS..Hα-helixtrans-59.6-39.1176.4-177.3173-83.5151.2-5.5111.8D963 F964 E968 R1052 I1059 S1060D963-R1056 PolarHBondContact O-NH2 3.16Å; F964-R1056 HydrophobicContact CE1-CB 4.22Å; F964-R1056 HydrophobicContact CZ-CB 4.11Å; E968-R1056 IonicContact OE1-CZ 3.24Å; E968-R1056 IonicContact OE1-NE 3.18Å; E968-R1056 PolarHBondContact OE1-NE 3.44Å; E968-R1056 IonicContact OE1-NH2 3.26Å; E968-R1056 PolarHBondContact OE1-NH2 3.11Å; E968-R1056 IonicContact OE2-CZ 3.14Å; E968-R1056 IonicContact OE2-NE 2.7Å; E968-R1056 IonicContact OE2-NH2 2.69Å; E968-R1056 PolarHBondContact OE2-NH2 2.74Å; R1052-R1056 WeakPolarHBondContact O-CB 3.39Å; R1052-R1056 PolarHBondContact O-N 2.63Å; R1056-I1059 WeakPolarHBondContact O-CG1 3.13Å; R1056-S1060 WeakPolarHBondContact O-CB 3.48Å; R1056-S1060 PolarHBondContact O-N 3.49Å; R1056-S1060 PolarHBondContact O-OG 3.47Å
1057Y87.9Confident74.1Confident118 Ų11873 Ų7346%0.46337%0.365SS..Hα-helixtrans-64.7-46173-174.2-92.9000112.4L1030 D1053 L1055 I1059 S1060 M1061L1030-Y1057 HydrophobicContact CD1-CD1 4.04Å; L1030-Y1057 HydrophobicContact CD1-CE1 4.01Å; L1030-Y1057 HydrophobicContact CD2-CD1 3.81Å; D1053-Y1057 VanDerWaalsContact O-CB 3.32Å; D1053-Y1057 WeakPolarHBondContact O-CB 3.4Å; D1053-Y1057 PolarHBondContact O-N 2.64Å; L1055-Y1057 VanDerWaalsContact C-N 3.28Å; L1055-Y1057 PolarHBondContact O-N 3.46Å; Y1057-I1059 PolarHBondContact O-N 3.05Å; Y1057-S1060 PolarHBondContact O-N 2.8Å; Y1057-S1060 PolarHBondContact O-OG 2.97Å; Y1057-M1061 HydrophobicContact CD1-CG 4.38Å; Y1057-M1061 HydrophobicContact CD2-CG 4.35Å; Y1057-M1061 HydrophobicContact CE1-CG 4Å; Y1057-M1061 HydrophobicContact CE2-CE 4.04Å; Y1057-M1061 HydrophobicContact CE2-CG 3.98Å; Y1057-M1061 WeakPolarHBondContact O-CB 3.46Å; Y1057-M1061 WeakPolarHBondContact O-CG 3.25Å; Y1057-M1061 PolarHBondContact O-N 3.45Å; Y1057-M1061 VanDerWaalsContact O-N 3.08Å
1058A85.6Confident71.4Confident0 Ų072.2 Ų72.20%038%0.376CS..Hα-helixtrans-64.5-41.3-178.400000113.1F975 P1031 K1054 L1055 N1062F975-A1058 HydrophobicContact CE2-CB 4.25Å; F975-A1058 HydrophobicContact CZ-CB 4.02Å; P1031-A1058 HydrophobicContact CG-CB 4.42Å; K1054-A1058 WeakPolarHBondContact O-CB 3.26Å; K1054-A1058 PolarHBondContact O-N 3.49Å; L1055-A1058 PolarHBondContact O-N 3.26Å; L1055-A1058 VanDerWaalsContact O-N 3.15Å; A1058-N1062 PolarHBondContact O-N 3.19Å
1059I88.7Confident70.7Confident8 Ų872.7 Ų72.74%0.04138%0.381CS..Hα-helixtrans-72.7-29179.468.8-179.2000112.8F964 M971 F972 F975 L1055 R1056 Y1057F964-I1059 HydrophobicContact CD2-CD1 4.19Å; F964-I1059 HydrophobicContact CE2-CD1 3.44Å; F964-I1059 VanDerWaalsContact CE2-CD1 3.44Å; F964-I1059 HydrophobicContact CZ-CD1 3.92Å; M971-I1059 HydrophobicContact CB-CB 4.37Å; M971-I1059 HydrophobicContact CB-CD1 4.39Å; M971-I1059 HydrophobicContact CB-CG1 4.49Å; F972-I1059 HydrophobicContact CB-CG2 4.27Å; F972-I1059 HydrophobicContact CD2-CG2 4.3Å; F975-I1059 HydrophobicContact CB-CB 4.31Å; F975-I1059 HydrophobicContact CB-CG2 3.82Å; F975-I1059 HydrophobicContact CD1-CG2 4.02Å; F975-I1059 HydrophobicContact CG-CG2 3.89Å; L1055-I1059 HydrophobicContact CD1-CG2 4.23Å; L1055-I1059 WeakPolarHBondContact O-CG1 3.44Å; L1055-I1059 WeakPolarHBondContact O-CG2 3.31Å; L1055-I1059 PolarHBondContact O-N 2.83Å; R1056-I1059 WeakPolarHBondContact O-CG1 3.13Å; Y1057-I1059 PolarHBondContact O-N 3.05Å
1060S81.6Confident69.9Low69 Ų6973.5 Ų73.548%0.48338%0.38SS..Hα-helixtrans-81.7-33.1-179.452.20000112.9R1056 Y1057 N1062R1056-S1060 WeakPolarHBondContact O-CB 3.48Å; R1056-S1060 PolarHBondContact O-N 3.49Å; R1056-S1060 PolarHBondContact O-OG 3.47Å; Y1057-S1060 PolarHBondContact O-N 2.8Å; Y1057-S1060 PolarHBondContact O-OG 2.97Å; S1060-N1062 VanDerWaalsContact C-N 3.32Å
1061M73.6Confident69Low108 Ų10874.1 Ų74.153%0.53238%0.383SS..THydrogen-bonded Turntrans-85.7-3.9178.4-67-68.2165.700113.6Y1057 T1063Y1057-M1061 HydrophobicContact CD1-CG 4.38Å; Y1057-M1061 HydrophobicContact CD2-CG 4.35Å; Y1057-M1061 HydrophobicContact CE1-CG 4Å; Y1057-M1061 HydrophobicContact CE2-CE 4.04Å; Y1057-M1061 HydrophobicContact CE2-CG 3.98Å; Y1057-M1061 WeakPolarHBondContact O-CB 3.46Å; Y1057-M1061 WeakPolarHBondContact O-CG 3.25Å; Y1057-M1061 PolarHBondContact O-N 3.45Å; Y1057-M1061 VanDerWaalsContact O-N 3.08Å; M1061-T1063 HydrophobicContact CB-CG2 3.79Å; M1061-T1063 PolarHBondContact O-N 3.42Å
1062N58.3Low67.9Low110 Ų11078.5 Ų78.559%0.58841%0.406SS*.THydrogen-bonded Turntrans4934177.8-149.525.7000113.2A1058 S1060 G1064A1058-N1062 PolarHBondContact O-N 3.19Å; S1060-N1062 VanDerWaalsContact C-N 3.32Å; N1062-G1064 VanDerWaalsContact C-N 3.34Å; N1062-G1064 PolarHBondContact O-N 3.32Å
1063T50Low66.4Low41 Ų4178.6 Ų78.625%0.25241%0.413SS..  trans-73.185.3-173.851.50000110.2M1061 L1067M1061-T1063 HydrophobicContact CB-CG2 3.79Å; M1061-T1063 PolarHBondContact O-N 3.42Å; T1063-L1067 HydrophobicContact CG2-CD1 4.38Å
1064G45.7Very low65Low39 Ų3978.4 Ų78.440%0.40241%0.412SS..  trans-88.9134.9168.400000110.9N1062 E1066N1062-G1064 VanDerWaalsContact C-N 3.34Å; N1062-G1064 PolarHBondContact O-N 3.32Å; G1064-E1066 PolarHBondContact O-N 3.22Å
1065F43Very low63.4Low97 Ų9779 Ų7943%0.42542%0.419SS..SBendtrans56.7-28.1168-77.8-88.4000121L1067F1065-L1067 PolarHBondContact O-N 2.92Å
1066E35.5Very low61.4Low187 Ų18785.1 Ų85.187%0.87445%0.452SS*.THydrogen-bonded Turntrans-79.1-8.3-167.4-68-173165.500116G1064G1064-E1066 PolarHBondContact O-N 3.22Å
1067L31.3Very low59Low137 Ų13785.8 Ų85.872%0.71747%0.465SS*.THydrogen-bonded Turntrans-12518.5-173.9-73.5162.9000113.8T1063 F1065T1063-L1067 HydrophobicContact CG2-CD1 4.38Å; F1065-L1067 PolarHBondContact O-N 2.92Å
1068S27.5Very low56.4Low115 Ų11582.8 Ų82.880%0.80447%0.465SS*.  trans-85.20178.863.60000114R1029R1029-S1068 PolarHBondContact NH2-OXT 3.12Å

Retrieved 1,068 of 1,068 residues in 2343.6 ms (Link to these results)

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