A0A077ZF85_TRITR Loading...

UDP-N-acetylglucosamine 1-carboxyvinyltransferase

AlphaFold DB (P0A749), UniProt , Accession A0A077ZF85, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 419 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
1M85.3Confident96.3Very high99 Ų9952.9 Ų52.949%0.48827%0.266SS..  0147.10-179.5176.173.200108D390 R391 Y393M1-D390 WeakPolarHBondContact CE-OD1 3.38Å; M1-R391 HydrophobicContact CE-CB 4.02Å; M1-R391 HydrophobicContact CE-CG 3.27Å; M1-R391 HydrophobicContact SD-CG 4.12Å; M1-Y393 HydrophobicContact CE-CE1 4.39Å; M1-Y393 HydrophobicContact CG-CD1 4.32Å; M1-Y393 HydrophobicContact SD-CD1 3.77Å; M1-Y393 HydrophobicContact SD-CE1 3.49Å; M1-Y393 WeakPolarHBondContact SD-CE1 3.44Å
2D93.4Very high96.5Very high46 Ų4648.5 Ų48.525%0.24624%0.243CC..  trans-68.2147.4-176.8-65.915.6000112.6I392 R415 V416D2-I392 HydrophobicContact CB-CD1 4.01Å; D2-I392 HydrophobicContact CB-CG1 4.03Å; D2-R415 HydrophobicContact CB-CG 4.49Å; D2-R415 IonicContact OD2-CZ 3.67Å; D2-R415 IonicContact OD2-NE 3.54Å; D2-R415 PolarHBondContact OD2-NE 2.89Å; D2-R415 IonicContact OD2-NH2 3.44Å; D2-R415 PolarHBondContact OD2-NH2 3.03Å; D2-V416 WeakPolarHBondContact CA-O 3.05Å
3K94.8Very high96.7Very high56 Ų5653 Ų5324%0.24326%0.263CS..EExtended strand (participates in β ladder)trans-134158.2176.2-47.9-167.9-171.7-1520110.4V388 V389 D390 R415 V416K3-V388 HydrophobicContact CB-CG1 4.19Å; K3-V388 HydrophobicContact CD-CG1 3.88Å; K3-V389 WeakPolarHBondContact CA-O 3.38Å; K3-V389 WeakPolarHBondContact CB-O 3.4Å; K3-D390 HydrophobicContact CD-CB 4.4Å; K3-D390 VanDerWaalsContact CE-OD2 3.28Å; K3-D390 WeakPolarHBondContact CE-OD2 3.45Å; K3-D390 IonicContact NZ-OD1 3.99Å; K3-D390 IonicContact NZ-OD2 2.93Å; K3-D390 PolarHBondContact NZ-OD2 3.42Å; K3-R415 CarbonylContact O-C 3.53Å; K3-R415 WeakPolarHBondContact O-CA 3.27Å; K3-V416 PolarHBondContact N-O 3.2Å; K3-V416 PolarHBondContact O-N 3.1Å
4F97.3Very high96.8Very high1 Ų151.8 Ų51.80%0.00427%0.271CS..EExtended strand (participates in β ladder)trans-99.2128.7162.5-83.9-50.3000109.8V6 V377 V388 V389 I392 I395 I402 E403 I413 E414 R415F4-V6 HydrophobicContact CB-CG2 4.44Å; F4-V377 HydrophobicContact CB-CG2 4.48Å; F4-V377 HydrophobicContact CD2-CG2 3.83Å; F4-V388 CarbonylContact O-C 3.53Å; F4-V388 WeakPolarHBondContact O-CA 3.18Å; F4-V389 HydrophobicContact CB-CB 4.47Å; F4-V389 PolarHBondContact N-O 2.73Å; F4-V389 PolarHBondContact O-N 3.39Å; F4-I392 HydrophobicContact CB-CG2 4.08Å; F4-I392 HydrophobicContact CD1-CD1 4.21Å; F4-I392 HydrophobicContact CD2-CB 4.01Å; F4-I392 HydrophobicContact CD2-CD1 3.85Å; F4-I392 HydrophobicContact CD2-CG2 3.6Å; F4-I392 HydrophobicContact CE1-CD1 4.26Å; F4-I392 HydrophobicContact CE2-CB 4.31Å; F4-I392 HydrophobicContact CE2-CD1 3.9Å; F4-I392 HydrophobicContact CE2-CG2 4.38Å; F4-I392 HydrophobicContact CG-CD1 3.98Å; F4-I392 HydrophobicContact CG-CG2 4.08Å; F4-I392 HydrophobicContact CZ-CD1 4.1Å; F4-I395 HydrophobicContact CD2-CD1 3.91Å; F4-I395 HydrophobicContact CE2-CD1 3.88Å; F4-I402 HydrophobicContact CE2-CG2 3.91Å; F4-I402 HydrophobicContact CZ-CG2 4.01Å; F4-E403 HydrophobicContact CE1-CB 3.76Å; F4-E403 HydrophobicContact CE1-CG 3.84Å; F4-E403 HydrophobicContact CZ-CB 3.84Å; F4-E403 HydrophobicContact CZ-CG 4.43Å; F4-I413 HydrophobicContact CB-CD1 4.44Å; F4-I413 HydrophobicContact CD1-CD1 3.75Å; F4-I413 HydrophobicContact CD1-CG1 3.7Å; F4-I413 HydrophobicContact CD2-CD1 4.27Å; F4-I413 HydrophobicContact CE1-CD1 3.99Å; F4-I413 HydrophobicContact CE1-CG1 4.12Å; F4-I413 HydrophobicContact CE2-CD1 4.48Å; F4-I413 HydrophobicContact CG-CD1 3.93Å; F4-I413 HydrophobicContact CG-CG1 4.22Å; F4-I413 HydrophobicContact CZ-CD1 4.37Å; F4-E414 WeakPolarHBondContact CA-O 3.48Å; F4-R415 HydrophobicContact CD1-CB 4.03Å; F4-R415 HydrophobicContact CE1-CB 3.7Å; F4-R415 HydrophobicContact CE1-CG 4.22Å
5R98.1Very high97Very high89 Ų8954.9 Ų54.934%0.33628%0.283SS..EExtended strand (participates in β ladder)trans-101.8123.6164.8-175.3-176.2-67.6146.3-5.6107.6T386 T387 V388 I413 E414 V416R5-T386 HydrophobicContact CG-CG2 3.8Å; R5-T387 WeakPolarHBondContact CA-O 3.12Å; R5-V388 HydrophobicContact CG-CG2 4.42Å; R5-I413 WeakPolarHBondContact O-CA 3.31Å; R5-E414 PolarHBondContact N-O 3.05Å; R5-E414 IonicContact NH1-OE2 3.04Å; R5-E414 PolarHBondContact O-N 3.39Å; R5-V416 HydrophobicContact CB-CG2 3.92Å
6V98.6Very high97.1Very high0 Ų051.9 Ų51.90%027%0.268CS..EExtended strand (participates in β ladder)trans-122.4132.4-178.8-169.70000108.7F4 V377 G380 C381 T386 T387 N412 I413F4-V6 HydrophobicContact CB-CG2 4.44Å; V6-V377 HydrophobicContact CG2-CG1 4.41Å; V6-G380 VanDerWaalsContact CG1-C 3.46Å; V6-G380 WeakPolarHBondContact CG1-O 3.4Å; V6-C381 HydrophobicContact CG1-CB 4.41Å; V6-T386 WeakPolarHBondContact O-CA 3.45Å; V6-T387 PolarHBondContact N-O 2.72Å; V6-T387 PolarHBondContact O-N 3.29Å; V6-N412 CarbonylContact C-O 3.56Å; V6-N412 WeakPolarHBondContact CA-O 3.44Å; V6-I413 HydrophobicContact CG2-CB 4.44Å; V6-I413 HydrophobicContact CG2-CD1 4.08Å; V6-I413 HydrophobicContact CG2-CG1 4.02Å
7Q98.7Very high97.2Very high69 Ų6953.6 Ų53.632%0.32228%0.282SS..EExtended strand (participates in β ladder)trans-107.1122.8172.6-60.8-68.45.600109.2T10 T386 N412Q7-T10 PolarHBondContact O-OG1 3.37Å; Q7-T386 PolarHBondContact NE2-OG1 3.2Å; Q7-T386 VanDerWaalsContact OE1-CA 3.32Å; Q7-T386 PolarHBondContact OE1-OG1 3.25Å; Q7-N412 HydrophobicContact CB-CB 4Å; Q7-N412 PolarHBondContact N-O 3.19Å
8G98Very high97.3Very high14 Ų1450.7 Ų50.714%0.14427%0.267CS..EExtended strand (participates in β ladder)trans-126.2175.117700000113.1A383 G385G8-A383 CarbonylContact C-O 3.55Å; G8-A383 WeakPolarHBondContact CA-O 3.38Å; G8-G385 PolarHBondContact N-O 3.14Å; G8-G385 PolarHBondContact O-N 2.85Å; G8-G385 VanDerWaalsContact O-N 3.08Å
9P98.5Very high97.3Very high79 Ų7948.8 Ų48.851%0.51326%0.258SS..  cis-84.1147.91.233.6-34.3000112.5C381P9-C381 CarbonylContact C-O 3.52Å
10T98.5Very high97.4Very high35 Ų3546.4 Ų46.422%0.21525%0.245CC..  trans-133.2131.5174.9-17.20000110.3Q7 L12 C381 G410Q7-T10 PolarHBondContact O-OG1 3.37Å; T10-L12 PolarHBondContact O-N 2.88Å; T10-C381 PolarHBondContact N-O 3.42Å; T10-C381 PolarHBondContact OG1-O 3.49Å; T10-G410 WeakPolarHBondContact CG2-O 3.37Å
11K98.6Very high97.5Very high94 Ų9444.2 Ų44.241%0.40923%0.234SC..  trans-75.1120.7171.3178.9171.4-68.3-162.30109R246K11-R246 VanDerWaalsContact CE-O 3.27Å; K11-R246 WeakPolarHBondContact CE-O 3.23Å; K11-R246 PolarHBondContact NZ-O 3.29Å; K11-R246 VanDerWaalsContact NZ-O 3.16Å
12L98.7Very high98Very high0 Ų040.2 Ų40.20%021%0.214CC..  trans-92.4113.7-178.7-55.6179000109.4T10 A241 S245 C381 L406 L409 A411T10-L12 PolarHBondContact O-N 2.88Å; L12-A241 HydrophobicContact CD1-CB 3.82Å; L12-S245 WeakPolarHBondContact CB-OG 3.37Å; L12-S245 PolarHBondContact N-OG 3.09Å; L12-C381 HydrophobicContact CD1-CB 4Å; L12-C381 HydrophobicContact CD2-CB 4.39Å; L12-L406 HydrophobicContact CD1-CD2 4.16Å; L12-L409 WeakPolarHBondContact CA-O 3.3Å; L12-L409 HydrophobicContact CB-CB 4.35Å; L12-A411 HydrophobicContact CD2-CB 3.71Å
13Q98.6Very high98.2Very high107 Ų10740 Ų4050%0.521%0.213SC..  trans-152.3148.2-175.161.5-172.31.900112.6K248 L409Q13-K248 CarbonylContact C-O 2.91Å; Q13-K248 WeakPolarHBondContact CA-O 3.49Å; Q13-K248 VanDerWaalsContact CB-O 3.29Å; Q13-K248 WeakPolarHBondContact CB-O 3.31Å; Q13-L409 PolarHBondContact N-O 2.67Å; Q13-L409 WeakPolarHBondContact O-CA 3.19Å
14G98.7Very high98.4Very high36 Ų3637.4 Ų37.437%0.37120%0.201SC..EExtended strand (participates in β ladder)trans136.5-141.1-178.800000112.6K248 I249 I250G14-K248 PolarHBondContact N-O 3.19Å; G14-I249 CarbonylContact O-C 3.55Å; G14-I249 VanDerWaalsContact O-CA 3.27Å; G14-I249 WeakPolarHBondContact O-CA 3.35Å; G14-I250 PolarHBondContact O-N 3.17Å
15E98.8Very high98.5Very high98 Ų9837.3 Ų37.346%0.45820%0.201SC..EExtended strand (participates in β ladder)trans-127.7152.1177.2-53-160166.300111.4I250 R252E15-I250 CarbonylContact C-O 3.51Å; E15-I250 VanDerWaalsContact CA-O 3.28Å; E15-I250 WeakPolarHBondContact CA-O 3.48Å; E15-I250 HydrophobicContact CG-CB 4.07Å; E15-R252 IonicContact OE1-CZ 2.76Å; E15-R252 IonicContact OE1-NE 3.05Å; E15-R252 IonicContact OE1-NH2 3.75Å; E15-R252 PolarHBondContact OE1-NH2 2.66Å; E15-R252 IonicContact OE2-CZ 3.61Å; E15-R252 IonicContact OE2-NE 2.7Å; E15-R252 PolarHBondContact OE2-NE 3.14Å; E15-R252 IonicContact OE2-NH2 2.95Å; E15-R252 PolarHBondContact OE2-NH2 2.86Å
16V98.8Very high98.5Very high7 Ų733.2 Ų33.24%0.04219%0.186CC..EExtended strand (participates in β ladder)trans-138.2136.8173.865.60000110.2I18 F238 I249 I250 C251 R252 K405V16-I18 HydrophobicContact CG1-CD1 4.03Å; V16-F238 HydrophobicContact CG1-CB 3.99Å; V16-F238 HydrophobicContact CG1-CD1 4.42Å; V16-F238 HydrophobicContact CG1-CD2 4.2Å; V16-F238 HydrophobicContact CG1-CG 3.96Å; V16-F238 HydrophobicContact CG2-CD1 4.4Å; V16-F238 HydrophobicContact CG2-CD2 4.07Å; V16-F238 HydrophobicContact CG2-CE1 4.3Å; V16-F238 HydrophobicContact CG2-CE2 3.98Å; V16-F238 HydrophobicContact CG2-CG 4.31Å; V16-F238 HydrophobicContact CG2-CZ 4.12Å; V16-I249 HydrophobicContact CB-CD1 4.44Å; V16-I249 HydrophobicContact CG1-CD1 3.78Å; V16-I249 HydrophobicContact CG1-CG1 4.29Å; V16-I250 PolarHBondContact N-O 2.87Å; V16-C251 HydrophobicContact CG1-CB 4.33Å; V16-C251 CarbonylContact O-C 3.42Å; V16-C251 WeakPolarHBondContact O-CA 3.32Å; V16-R252 PolarHBondContact O-N 3.04Å; V16-K405 HydrophobicContact CG2-CB 4.01Å; V16-K405 HydrophobicContact CG2-CD 3.73Å; V16-K405 HydrophobicContact CG2-CG 3.97Å
17T98.8Very high98.5Very high81 Ų8133.3 Ų33.350%0.49719%0.186SC..EExtended strand (participates in β ladder)trans-90.8123.1169.8-53.20000109.8N253 K405T17-N253 HydrophobicContact CG2-CB 4.16Å; T17-K405 WeakPolarHBondContact O-CE 3.39Å; T17-K405 PolarHBondContact O-NZ 3.22Å
18I98.8Very high98.5Very high2 Ų230 Ų301%0.0117%0.171CC..PPolyproline II helixtrans-77.8135.8179.1-56.5-55.3000109.8V16 P230 D231 E234 T235 F238 C251 R252V16-I18 HydrophobicContact CG1-CD1 4.03Å; I18-P230 HydrophobicContact CG2-CB 4.24Å; I18-D231 HydrophobicContact CG2-CB 4.29Å; I18-D231 WeakPolarHBondContact CG2-O 3.36Å; I18-E234 WeakPolarHBondContact CA-OE2 3.13Å; I18-E234 HydrophobicContact CD1-CG 4.27Å; I18-E234 HydrophobicContact CG2-CB 4.5Å; I18-T235 HydrophobicContact CG1-CG2 4.47Å; I18-T235 WeakPolarHBondContact CG1-OG1 3.49Å; I18-T235 WeakPolarHBondContact CG2-OG1 3.45Å; I18-F238 HydrophobicContact CD1-CD2 4.16Å; I18-C251 HydrophobicContact CD1-CB 4.18Å; I18-C251 HydrophobicContact CG1-CB 4.02Å; I18-R252 WeakPolarHBondContact CB-O 3.49Å; I18-R252 WeakPolarHBondContact CG1-O 3.35Å; I18-R252 PolarHBondContact N-O 2.92Å
19S98.5Very high98.5Very high14 Ų1429.3 Ų29.310%0.09816%0.164CC..PPolyproline II helixtrans-81.6166.8176.8-65.90000110.6D231 E234 K405S19-D231 PolarHBondContact O-N 3.26Å; S19-E234 WeakPolarHBondContact CB-OE2 3.29Å; S19-E234 PolarHBondContact N-OE2 2.79Å; S19-K405 PolarHBondContact OG-NZ 2.78Å
20G98.6Very high98.5Very high1 Ų125.6 Ų25.61%0.0114%0.14CC..BIsolated β-bridgetrans-63.7151.8171.900000112.7K22 N43 P45 L229G20-K22 PolarHBondContact O-N 3.38Å; G20-N43 VanDerWaalsContact CA-ND2 3.31Å; G20-N43 WeakPolarHBondContact CA-ND2 3.44Å; G20-N43 VanDerWaalsContact CA-O 3.24Å; G20-N43 WeakPolarHBondContact CA-O 3.49Å; G20-P45 WeakPolarHBondContact O-CB 3.23Å; G20-P45 WeakPolarHBondContact O-CD 3.49Å; G20-P45 WeakPolarHBondContact O-CG 3.47Å; G20-L229 CarbonylContact C-O 3.55Å; G20-L229 WeakPolarHBondContact CA-O 3.3Å
21A98.6Very high98.6Very high0 Ų024 Ų240%013%0.13CC..PPolyproline II helixtrans-63.8121.6-174.100000112N23 A24 A25 V228 L229 D231A21-N23 PolarHBondContact O-N 2.89Å; A21-A24 HydrophobicContact CB-CB 3.93Å; A21-A24 PolarHBondContact O-N 3.44Å; A21-A25 WeakPolarHBondContact O-CB 3.44Å; A21-A25 PolarHBondContact O-N 2.92Å; A21-V228 HydrophobicContact CB-CG1 4.39Å; A21-L229 HydrophobicContact CB-CD2 3.59Å; A21-L229 HydrophobicContact CB-CG 4.28Å; A21-L229 PolarHBondContact N-O 3.02Å; A21-D231 WeakPolarHBondContact CA-OD2 3.27Å; A21-D231 HydrophobicContact CB-CB 4.24Å
22K97.1Very high98.6Very high15 Ų1519.5 Ų19.57%0.06511%0.11CC..Hα-helixtrans-52-48.7171.4179.3-148.7172.9-162.90110.7G20 A24 L26 L47 D49 D231 L370 R397G20-K22 PolarHBondContact O-N 3.38Å; K22-A24 VanDerWaalsContact C-N 3.27Å; K22-A24 PolarHBondContact O-N 2.91Å; K22-L26 HydrophobicContact CD-CD1 4.4Å; K22-L26 HydrophobicContact CG-CD1 3.95Å; K22-L26 WeakPolarHBondContact O-CG 3.19Å; K22-L26 PolarHBondContact O-N 2.87Å; K22-L26 VanDerWaalsContact O-N 3.14Å; K22-L47 HydrophobicContact CB-CD1 3.54Å; K22-L47 HydrophobicContact CG-CD1 3.6Å; K22-D49 WeakPolarHBondContact CE-OD2 3.23Å; K22-D49 IonicContact NZ-OD2 3.04Å; K22-D49 PolarHBondContact NZ-OD2 3.12Å; K22-D231 PolarHBondContact N-OD2 2.84Å; K22-L370 HydrophobicContact CD-CD2 4.29Å; K22-R397 WeakPolarHBondContact CD-O 3.45Å; K22-R397 WeakPolarHBondContact CE-O 3.48Å
23N97.6Very high98.6Very high43 Ų4319.6 Ų19.623%0.2311%0.111CC..Hα-helixtrans-78.8-6.5-172-69.5-23.5000113.6A21 P27 E190A21-N23 PolarHBondContact O-N 2.89Å; N23-P27 WeakPolarHBondContact O-CD 3.39Å; N23-P27 WeakPolarHBondContact O-CG 3.47Å; N23-E190 HydrophobicContact CB-CG 3.91Å
24A98.7Very high98.6Very high0 Ų014.5 Ų14.50%09%0.087CC..Hα-helixtrans-100.6-39.9166.900000112.2A21 K22 L26 P27 I28 E190 D193 V228 L229A21-A24 HydrophobicContact CB-CB 3.93Å; A21-A24 PolarHBondContact O-N 3.44Å; K22-A24 VanDerWaalsContact C-N 3.27Å; K22-A24 PolarHBondContact O-N 2.91Å; A24-L26 VanDerWaalsContact C-N 3.27Å; A24-L26 PolarHBondContact O-N 3.31Å; A24-P27 WeakPolarHBondContact O-CD 3.45Å; A24-P27 VanDerWaalsContact O-CG 3.25Å; A24-P27 WeakPolarHBondContact O-CG 3.29Å; A24-I28 HydrophobicContact CB-CD1 4.45Å; A24-I28 VanDerWaalsContact O-CB 3.32Å; A24-I28 WeakPolarHBondContact O-CB 3.46Å; A24-I28 WeakPolarHBondContact O-CD1 3.48Å; A24-I28 VanDerWaalsContact O-CG1 3.23Å; A24-I28 WeakPolarHBondContact O-CG1 3.49Å; A24-I28 PolarHBondContact O-N 2.84Å; A24-I28 VanDerWaalsContact O-N 3.07Å; A24-E190 HydrophobicContact CB-CB 4.04Å; A24-E190 HydrophobicContact CB-CG 3.89Å; A24-D193 HydrophobicContact CB-CB 4.16Å; A24-D193 WeakPolarHBondContact CB-OD2 3.49Å; A24-V228 HydrophobicContact CB-CG1 3.93Å; A24-L229 HydrophobicContact CB-CD2 3.24Å
25A98.6Very high98.6Very high0 Ų012.8 Ų12.80%07%0.069CC..Hα-helixtrans-56.4-43.5175.600000111.6A21 I28 L29 V44 P45 V228A21-A25 WeakPolarHBondContact O-CB 3.44Å; A21-A25 PolarHBondContact O-N 2.92Å; A25-I28 PolarHBondContact O-N 2.87Å; A25-L29 WeakPolarHBondContact O-CB 3.28Å; A25-L29 WeakPolarHBondContact O-CD1 3.23Å; A25-L29 WeakPolarHBondContact O-CG 3.46Å; A25-L29 PolarHBondContact O-N 2.81Å; A25-V44 HydrophobicContact CB-CG1 4.29Å; A25-P45 HydrophobicContact CB-CG 4.49Å; A25-V228 HydrophobicContact CB-CG1 4.22Å; A25-V228 HydrophobicContact CB-CG2 4.25Å
26L98.4Very high98.6Very high3 Ų311.6 Ų11.62%0.0166%0.064CC..Hα-helixtrans-61.4-56.1-179.5-66.9172.4000113.7K22 A24 I28 L29 F30 D49 V50 S53 A92 W95K22-L26 HydrophobicContact CD-CD1 4.4Å; K22-L26 HydrophobicContact CG-CD1 3.95Å; K22-L26 WeakPolarHBondContact O-CG 3.19Å; K22-L26 PolarHBondContact O-N 2.87Å; K22-L26 VanDerWaalsContact O-N 3.14Å; A24-L26 VanDerWaalsContact C-N 3.27Å; A24-L26 PolarHBondContact O-N 3.31Å; L26-I28 VanDerWaalsContact C-N 3.3Å; L26-I28 PolarHBondContact O-N 2.91Å; L26-L29 PolarHBondContact O-N 3.41Å; L26-F30 WeakPolarHBondContact O-CD2 3.36Å; L26-F30 PolarHBondContact O-N 3.38Å; L26-D49 HydrophobicContact CD1-CB 3.99Å; L26-D49 HydrophobicContact CD2-CB 4.06Å; L26-V50 HydrophobicContact CD2-CG2 4.25Å; L26-S53 VanDerWaalsContact CD2-OG 3.3Å; L26-S53 WeakPolarHBondContact CD2-OG 3.38Å; L26-A92 HydrophobicContact CB-CB 3.91Å; L26-A92 HydrophobicContact CD1-CB 3.88Å; L26-A92 HydrophobicContact CD2-CB 4.37Å; L26-A92 HydrophobicContact CG-CB 4.27Å; L26-W95 HydrophobicContact CB-CE3 4.43Å; L26-W95 HydrophobicContact CB-CZ3 3.88Å
27P98.7Very high98.6Very high1 Ų116 Ų161%0.0068%0.084CC..Hα-helixtrans-63.1-35.2177.426.2-34.9000112.6N23 A24 F30 A31 W95 V167 T194N23-P27 WeakPolarHBondContact O-CD 3.39Å; N23-P27 WeakPolarHBondContact O-CG 3.47Å; A24-P27 WeakPolarHBondContact O-CD 3.45Å; A24-P27 VanDerWaalsContact O-CG 3.25Å; A24-P27 WeakPolarHBondContact O-CG 3.29Å; P27-F30 PolarHBondContact O-N 3.01Å; P27-A31 VanDerWaalsContact O-CB 3.25Å; P27-A31 WeakPolarHBondContact O-CB 3.26Å; P27-A31 PolarHBondContact O-N 3.45Å; P27-W95 HydrophobicContact CB-CD2 4.15Å; P27-W95 HydrophobicContact CB-CE3 3.93Å; P27-W95 HydrophobicContact CB-CH2 4.15Å; P27-W95 HydrophobicContact CB-CZ2 4.35Å; P27-W95 HydrophobicContact CB-CZ3 3.96Å; P27-W95 VanDerWaalsContact CD-CZ3 3.48Å; P27-W95 HydrophobicContact CG-CH2 4.19Å; P27-W95 HydrophobicContact CG-CZ3 4.14Å; P27-V167 HydrophobicContact CB-CG1 3.69Å; P27-V167 HydrophobicContact CB-CG2 4.22Å; P27-T194 HydrophobicContact CB-CG2 4.23Å; P27-T194 WeakPolarHBondContact CG-OG1 3.4Å
28I98.9Very high98.6Very high0 Ų015.3 Ų15.30%08%0.081CC..Hα-helixtrans-61.7-44.5174.8-72170.5000111.5A24 A25 L26 F30 A31 A32 I41 D193 F197 Y226 V228A24-I28 HydrophobicContact CB-CD1 4.45Å; A24-I28 VanDerWaalsContact O-CB 3.32Å; A24-I28 WeakPolarHBondContact O-CB 3.46Å; A24-I28 WeakPolarHBondContact O-CD1 3.48Å; A24-I28 VanDerWaalsContact O-CG1 3.23Å; A24-I28 WeakPolarHBondContact O-CG1 3.49Å; A24-I28 PolarHBondContact O-N 2.84Å; A24-I28 VanDerWaalsContact O-N 3.07Å; A25-I28 PolarHBondContact O-N 2.87Å; L26-I28 VanDerWaalsContact C-N 3.3Å; L26-I28 PolarHBondContact O-N 2.91Å; I28-F30 VanDerWaalsContact C-N 3.32Å; I28-F30 PolarHBondContact O-N 3.07Å; I28-A31 PolarHBondContact O-N 3.31Å; I28-A32 PolarHBondContact O-N 3Å; I28-I41 HydrophobicContact CG2-CD1 3.83Å; I28-I41 HydrophobicContact CG2-CG1 4.09Å; I28-I41 HydrophobicContact CG2-CG2 3.89Å; I28-D193 WeakPolarHBondContact CD1-OD2 3.43Å; I28-F197 HydrophobicContact CB-CD1 4.29Å; I28-F197 HydrophobicContact CB-CG 4.39Å; I28-F197 HydrophobicContact CD1-CB 4.17Å; I28-F197 HydrophobicContact CG1-CB 3.95Å; I28-F197 HydrophobicContact CG1-CD1 4.16Å; I28-F197 HydrophobicContact CG1-CG 4.04Å; I28-F197 HydrophobicContact CG2-CB 4.45Å; I28-F197 HydrophobicContact CG2-CD1 3.88Å; I28-F197 HydrophobicContact CG2-CD2 3.79Å; I28-F197 HydrophobicContact CG2-CE1 4Å; I28-F197 HydrophobicContact CG2-CE2 3.91Å; I28-F197 HydrophobicContact CG2-CG 3.75Å; I28-F197 HydrophobicContact CG2-CZ 4.01Å; I28-F197 WeakPolarHBondContact O-CE1 3.48Å; I28-Y226 HydrophobicContact CD1-CD1 4.13Å; I28-Y226 HydrophobicContact CD1-CE1 3.94Å; I28-V228 HydrophobicContact CD1-CG2 4.25Å
29L98.8Very high98.6Very high0 Ų015.4 Ų15.40%08%0.082CC..Hα-helixtrans-59-42.8176.1-73.6166.6000111.7A25 L26 A32 I41 V50 L57 V70 I72A25-L29 WeakPolarHBondContact O-CB 3.28Å; A25-L29 WeakPolarHBondContact O-CD1 3.23Å; A25-L29 WeakPolarHBondContact O-CG 3.46Å; A25-L29 PolarHBondContact O-N 2.81Å; L26-L29 PolarHBondContact O-N 3.41Å; L29-A32 WeakPolarHBondContact O-CB 3.48Å; L29-A32 PolarHBondContact O-N 3.36Å; L29-I41 HydrophobicContact CD2-CD1 3.79Å; L29-I41 HydrophobicContact CG-CD1 4.44Å; L29-V50 HydrophobicContact CD1-CG1 4.13Å; L29-V50 HydrophobicContact CD1-CG2 4.41Å; L29-L57 HydrophobicContact CB-CD1 4.19Å; L29-L57 WeakPolarHBondContact O-CD1 3.38Å; L29-V70 HydrophobicContact CD2-CB 4.42Å; L29-V70 HydrophobicContact CD2-CG1 3.83Å; L29-I72 HydrophobicContact CD2-CD1 3.73Å
30F98.7Very high98.6Very high1 Ų117.1 Ų17.10%0.0049%0.088CC..Hα-helixtrans-73-35.7177.2-76.7-72.2000112.9L26 P27 I28 A32 L33 S53 L56 L57 M90 A92 W95 A96L26-F30 WeakPolarHBondContact O-CD2 3.36Å; L26-F30 PolarHBondContact O-N 3.38Å; P27-F30 PolarHBondContact O-N 3.01Å; I28-F30 VanDerWaalsContact C-N 3.32Å; I28-F30 PolarHBondContact O-N 3.07Å; F30-A32 PolarHBondContact O-N 3.42Å; F30-L33 HydrophobicContact CD1-CD1 4.5Å; F30-L33 VanDerWaalsContact O-CB 3.32Å; F30-L33 WeakPolarHBondContact O-CB 3.23Å; F30-L33 WeakPolarHBondContact O-CG 3.43Å; F30-L33 PolarHBondContact O-N 3.07Å; F30-L33 VanDerWaalsContact O-N 3.12Å; F30-S53 WeakPolarHBondContact CE2-OG 3.41Å; F30-L56 HydrophobicContact CE1-CD1 4.21Å; F30-L56 HydrophobicContact CE1-CD2 3.83Å; F30-L56 HydrophobicContact CZ-CD1 4.21Å; F30-L57 HydrophobicContact CD1-CD2 4.27Å; F30-M90 HydrophobicContact CE2-CE 4.07Å; F30-M90 HydrophobicContact CZ-CE 3.58Å; F30-A92 WeakPolarHBondContact CD2-O 3.46Å; F30-A92 HydrophobicContact CE2-CB 3.94Å; F30-A92 VanDerWaalsContact CE2-O 3.23Å; F30-A92 WeakPolarHBondContact CE2-O 3.49Å; F30-W95 HydrophobicContact CB-CB 3.72Å; F30-W95 HydrophobicContact CD2-CB 3.98Å; F30-W95 HydrophobicContact CD2-CE3 4.3Å; F30-W95 HydrophobicContact CG-CB 3.87Å; F30-A96 HydrophobicContact CD1-CB 3.83Å; F30-A96 HydrophobicContact CE1-CB 3.9Å
31A98.9Very high98.6Very high1 Ų117 Ų171%0.0089%0.087CC..Hα-helixtrans-63.2-26.917500000112.2P27 I28 L33 L34 F197 L198P27-A31 VanDerWaalsContact O-CB 3.25Å; P27-A31 WeakPolarHBondContact O-CB 3.26Å; P27-A31 PolarHBondContact O-N 3.45Å; I28-A31 PolarHBondContact O-N 3.31Å; A31-L33 PolarHBondContact O-N 3.34Å; A31-L33 VanDerWaalsContact O-N 3.1Å; A31-L34 VanDerWaalsContact O-CB 3.27Å; A31-L34 WeakPolarHBondContact O-CB 3.32Å; A31-L34 WeakPolarHBondContact O-CG 3.38Å; A31-L34 PolarHBondContact O-N 3.14Å; A31-F197 HydrophobicContact CB-CD1 3.97Å; A31-F197 HydrophobicContact CB-CE1 3.69Å; A31-L198 HydrophobicContact CB-CD2 4.04Å
32A98.8Very high98.6Very high0 Ų019.9 Ų19.90%010%0.1CC..G310 helixtrans-61.9-14.3173.800000113.9I28 L29 F30 L34 A35 I72 A74 F197I28-A32 PolarHBondContact O-N 3Å; L29-A32 WeakPolarHBondContact O-CB 3.48Å; L29-A32 PolarHBondContact O-N 3.36Å; F30-A32 PolarHBondContact O-N 3.42Å; A32-L34 PolarHBondContact O-N 3.44Å; A32-A35 WeakPolarHBondContact O-CB 3.37Å; A32-A35 PolarHBondContact O-N 3.42Å; A32-A35 VanDerWaalsContact O-N 3.14Å; A32-I72 HydrophobicContact CB-CB 4.36Å; A32-I72 HydrophobicContact CB-CD1 3.74Å; A32-I72 HydrophobicContact CB-CG2 4.11Å; A32-A74 WeakPolarHBondContact O-CB 3.45Å; A32-F197 HydrophobicContact CB-CZ 4.23Å
33L98.8Very high98.7Very high1 Ų120.8 Ų20.81%0.00511%0.106CC..G310 helixtrans-62.3-23.2168.9-73.8168.8000112.8F30 A31 A35 L57 L60 V77 A96 P99 L100 R103F30-L33 HydrophobicContact CD1-CD1 4.5Å; F30-L33 VanDerWaalsContact O-CB 3.32Å; F30-L33 WeakPolarHBondContact O-CB 3.23Å; F30-L33 WeakPolarHBondContact O-CG 3.43Å; F30-L33 PolarHBondContact O-N 3.07Å; F30-L33 VanDerWaalsContact O-N 3.12Å; A31-L33 PolarHBondContact O-N 3.34Å; A31-L33 VanDerWaalsContact O-N 3.1Å; L33-A35 VanDerWaalsContact C-N 3.32Å; L33-L57 HydrophobicContact CD1-CD2 3.85Å; L33-L57 HydrophobicContact CD2-CD2 3.72Å; L33-L57 HydrophobicContact CG-CD2 3.58Å; L33-L60 HydrophobicContact CD1-CD1 3.98Å; L33-L60 HydrophobicContact CD2-CD1 4.12Å; L33-V77 HydrophobicContact CD2-CG1 4.34Å; L33-V77 HydrophobicContact CD2-CG2 3.97Å; L33-A96 HydrophobicContact CD1-CB 4.36Å; L33-P99 HydrophobicContact CB-CB 3.7Å; L33-P99 HydrophobicContact CD1-CB 4.22Å; L33-L100 HydrophobicContact CD1-CD2 4.46Å; L33-L100 HydrophobicContact CD1-CG 4.32Å; L33-R103 WeakPolarHBondContact O-CD 3.42Å; L33-R103 PolarHBondContact O-NH1 3Å
34L98.9Very high98.7Very high0 Ų019.3 Ų19.30%010%0.099CC..G310 helixtrans-76.5-20176.4-61.9163.5000112.7A31 A32 P99 A102 C171 L175 L198 L221A31-L34 VanDerWaalsContact O-CB 3.27Å; A31-L34 WeakPolarHBondContact O-CB 3.32Å; A31-L34 WeakPolarHBondContact O-CG 3.38Å; A31-L34 PolarHBondContact O-N 3.14Å; A32-L34 PolarHBondContact O-N 3.44Å; L34-P99 HydrophobicContact CD2-CB 4.04Å; L34-P99 HydrophobicContact CG-CB 3.95Å; L34-P99 HydrophobicContact CG-CG 4.36Å; L34-A102 HydrophobicContact CD2-CB 4.16Å; L34-C171 HydrophobicContact CD1-CB 4.13Å; L34-L175 HydrophobicContact CD2-CD1 3.69Å; L34-L175 HydrophobicContact CD2-CG 4.14Å; L34-L198 HydrophobicContact CD1-CD2 3.6Å; L34-L221 HydrophobicContact CB-CD1 3.78Å; L34-L221 HydrophobicContact CB-CG 4.5Å; L34-L221 HydrophobicContact CD1-CD1 4.11Å
35A98.8Very high98.7Very high1 Ų119.4 Ų19.41%0.00810%0.099CC..BIsolated β-bridgetrans-74.6131.4-173.500000111.7A32 L33 V39 R103 L201 G222A32-A35 WeakPolarHBondContact O-CB 3.37Å; A32-A35 PolarHBondContact O-N 3.42Å; A32-A35 VanDerWaalsContact O-N 3.14Å; L33-A35 VanDerWaalsContact C-N 3.32Å; A35-V39 HydrophobicContact CB-CG2 3.67Å; A35-R103 PolarHBondContact O-NH1 3.13Å; A35-L201 HydrophobicContact CB-CD1 4.17Å; A35-G222 WeakPolarHBondContact CA-O 3.45Å; A35-G222 VanDerWaalsContact CB-O 3.29Å; A35-G222 WeakPolarHBondContact CB-O 3.43Å
36E98.6Very high98.6Very high73 Ų7325.8 Ų25.834%0.34113%0.127SC..SBendtrans-104.411.1173.2-58.4-158.2-123.600112.9R75 R103 R220 L221E36-R75 WeakPolarHBondContact O-CD 3.48Å; E36-R75 WeakPolarHBondContact O-CG 3.41Å; E36-R103 IonicContact OE2-NH2 2.92Å; E36-R220 VanDerWaalsContact OE1-CB 3.26Å; E36-R220 WeakPolarHBondContact OE1-CB 3.27Å; E36-L221 WeakPolarHBondContact CB-O 3.45Å; E36-L221 PolarHBondContact N-O 3.07Å
37E98.8Very high98.6Very high100 Ų10025.8 Ų25.847%0.46713%0.127SC..SBendtrans-137.5161.1168-67.8-65.9169.100109.8R75E37-R75 IonicContact OE2-NH1 2.73Å
38P98.7Very high98.4Very high66 Ų6630.5 Ų30.543%0.42915%0.147SC..  trans-57.7143-179.1-26.335.7000114.1I72 G223 G224P38-I72 WeakPolarHBondContact CA-O 3.36Å; P38-G223 WeakPolarHBondContact O-CA 3.28Å; P38-G224 PolarHBondContact O-N 3.47Å
39V98.9Very high98.2Very high4 Ų430.7 Ų30.72%0.02415%0.148CC..EExtended strand (participates in β ladder)trans-122.4137.2-180179.80000110.5A35 I41 H71 I72 F197 L201 G224A35-V39 HydrophobicContact CB-CG2 3.67Å; V39-I41 HydrophobicContact CG1-CD1 4.43Å; V39-I41 HydrophobicContact CG1-CG1 3.81Å; V39-H71 CarbonylContact O-C 3.36Å; V39-H71 VanDerWaalsContact O-CA 3.32Å; V39-H71 WeakPolarHBondContact O-CA 3.4Å; V39-I72 PolarHBondContact N-O 2.97Å; V39-I72 PolarHBondContact O-N 3.08Å; V39-F197 HydrophobicContact CG1-CE2 3.65Å; V39-F197 HydrophobicContact CG1-CZ 3.99Å; V39-L201 HydrophobicContact CG2-CD2 3.82Å; V39-G224 WeakPolarHBondContact CA-O 3.41Å
40E98.8Very high98.1Very high49 Ų4930.7 Ų30.723%0.22915%0.148CC..EExtended strand (participates in β ladder)trans-110.1125.5165.1179.7-175.9148.300110.2Q42 S69 H71 G224 V225 Y226E40-Q42 HydrophobicContact CG-CG 4.19Å; E40-Q42 VanDerWaalsContact OE1-CG 3.29Å; E40-Q42 WeakPolarHBondContact OE1-CG 3.4Å; E40-Q42 PolarHBondContact OE1-NE2 2.86Å; E40-S69 PolarHBondContact OE1-OG 2.9Å; E40-S69 VanDerWaalsContact OE1-OG 3.11Å; E40-H71 VanDerWaalsContact CG-CE1 3.48Å; E40-H71 WeakPolarHBondContact CG-CE1 3.25Å; E40-H71 IonicContact OE2-CE1 3.48Å; E40-H71 PolarHBondContact OE2-CE1 3.34Å; E40-G224 PolarHBondContact N-O 3.03Å; E40-V225 HydrophobicContact CB-CG1 4.25Å; E40-V225 HydrophobicContact CB-CG2 4.2Å; E40-V225 HydrophobicContact CG-CG1 4.34Å; E40-V225 WeakPolarHBondContact O-CA 3.5Å; E40-Y226 PolarHBondContact O-N 2.91Å
41I98.9Very high98.1Very high0 Ų033.4 Ų33.40%016%0.163CC..EExtended strand (participates in β ladder)trans-114.1108.9177.3-49.3162.6000108.6I28 L29 V39 V44 S69 V70 I72 F197 Y226 V228I28-I41 HydrophobicContact CG2-CD1 3.83Å; I28-I41 HydrophobicContact CG2-CG1 4.09Å; I28-I41 HydrophobicContact CG2-CG2 3.89Å; L29-I41 HydrophobicContact CD2-CD1 3.79Å; L29-I41 HydrophobicContact CG-CD1 4.44Å; V39-I41 HydrophobicContact CG1-CD1 4.43Å; V39-I41 HydrophobicContact CG1-CG1 3.81Å; I41-V44 HydrophobicContact CB-CG2 3.9Å; I41-V44 HydrophobicContact CG2-CG2 3.44Å; I41-V44 VanDerWaalsContact CG2-CG2 3.44Å; I41-V44 WeakPolarHBondContact O-CG2 3.44Å; I41-S69 WeakPolarHBondContact O-CA 3.24Å; I41-S69 WeakPolarHBondContact O-CB 3.14Å; I41-V70 PolarHBondContact N-O 2.94Å; I41-V70 PolarHBondContact O-N 3.18Å; I41-I72 HydrophobicContact CD1-CD1 3.87Å; I41-F197 HydrophobicContact CG1-CE2 4.49Å; I41-Y226 CarbonylContact C-O 3.55Å; I41-Y226 WeakPolarHBondContact CA-O 3.48Å; I41-V228 HydrophobicContact CG2-CG2 3.62Å
42Q98.8Very high98Very high59 Ų5934 Ų3428%0.27617%0.167SC..EExtended strand (participates in β ladder)trans-87.8160.5-179-52.1-176.2-18.200111.4E40 V44 V225 Y226 R227 V228E40-Q42 HydrophobicContact CG-CG 4.19Å; E40-Q42 VanDerWaalsContact OE1-CG 3.29Å; E40-Q42 WeakPolarHBondContact OE1-CG 3.4Å; E40-Q42 PolarHBondContact OE1-NE2 2.86Å; Q42-V44 PolarHBondContact O-N 2.98Å; Q42-V225 HydrophobicContact CG-CG1 4.21Å; Q42-Y226 PolarHBondContact N-O 2.89Å; Q42-R227 HydrophobicContact CB-CB 4.06Å; Q42-R227 HydrophobicContact CB-CG 4.15Å; Q42-V228 PolarHBondContact O-N 3.14Å
43N98.2Very high97.9Very high34 Ų3434 Ų3418%0.18217%0.167CC..SBendtrans59.924.8178.6-161.137000114.3G20 R227 V228G20-N43 VanDerWaalsContact CA-ND2 3.31Å; G20-N43 WeakPolarHBondContact CA-ND2 3.44Å; G20-N43 VanDerWaalsContact CA-O 3.24Å; G20-N43 WeakPolarHBondContact CA-O 3.49Å; N43-R227 HydrophobicContact CB-CG 3.83Å; N43-V228 HydrophobicContact CB-CB 4.5Å; N43-V228 PolarHBondContact ND2-O 2.91Å
44V98.6Very high97.9Very high12 Ų1235.1 Ų35.17%0.07317%0.172CC..  trans-72.4123.3176.9179.70000109.8A25 I41 Q42 V50 V70 V228A25-V44 HydrophobicContact CB-CG1 4.29Å; I41-V44 HydrophobicContact CB-CG2 3.9Å; I41-V44 HydrophobicContact CG2-CG2 3.44Å; I41-V44 VanDerWaalsContact CG2-CG2 3.44Å; I41-V44 WeakPolarHBondContact O-CG2 3.44Å; Q42-V44 PolarHBondContact O-N 2.98Å; V44-V50 HydrophobicContact CG1-CG1 3.63Å; V44-V50 HydrophobicContact CG1-CG2 4.17Å; V44-V70 HydrophobicContact CB-CG2 3.85Å; V44-V70 HydrophobicContact CG1-CG2 3.83Å; V44-V70 HydrophobicContact CG2-CB 4.21Å; V44-V70 HydrophobicContact CG2-CG2 3.9Å; V44-V228 HydrophobicContact CG2-CG2 4.2Å
45P98Very high97.9Very high3 Ų341.3 Ų41.32%0.01920%0.199CC..  trans-71.3146-178.834.4-40.8000111.4G20 A25 L47 V50 E400G20-P45 WeakPolarHBondContact O-CB 3.23Å; G20-P45 WeakPolarHBondContact O-CD 3.49Å; G20-P45 WeakPolarHBondContact O-CG 3.47Å; A25-P45 HydrophobicContact CB-CG 4.49Å; P45-L47 HydrophobicContact CB-CD1 3.82Å; P45-L47 HydrophobicContact CB-CD2 4.39Å; P45-L47 HydrophobicContact CB-CG 3.77Å; P45-L47 HydrophobicContact CG-CD1 3.49Å; P45-L47 VanDerWaalsContact CG-CD1 3.49Å; P45-L47 HydrophobicContact CG-CG 3.88Å; P45-L47 PolarHBondContact O-N 2.86Å; P45-V50 HydrophobicContact CG-CG2 4.39Å; P45-E400 WeakPolarHBondContact CA-OE2 3.41Å
46K97.7Very high97.8Very high134 Ų13441.3 Ų41.358%0.58320%0.199SC*.  trans-81.382.4177.1-64.6-178.7-178.4178.80110.7E400K46-E400 HydrophobicContact CB-CG 4.21Å; K46-E400 PolarHBondContact N-OE2 3.35Å
47L96.8Very high97.8Very high3 Ų337.9 Ų37.92%0.01618%0.183CC..  trans-121.3154.5-175.3-54.4176.5000112K22 P45 D49 V50 D51 Y399 E400K22-L47 HydrophobicContact CB-CD1 3.54Å; K22-L47 HydrophobicContact CG-CD1 3.6Å; P45-L47 HydrophobicContact CB-CD1 3.82Å; P45-L47 HydrophobicContact CB-CD2 4.39Å; P45-L47 HydrophobicContact CB-CG 3.77Å; P45-L47 HydrophobicContact CG-CD1 3.49Å; P45-L47 VanDerWaalsContact CG-CD1 3.49Å; P45-L47 HydrophobicContact CG-CG 3.88Å; P45-L47 PolarHBondContact O-N 2.86Å; L47-D49 VanDerWaalsContact C-N 3.33Å; L47-D49 PolarHBondContact O-N 3.11Å; L47-V50 HydrophobicContact CB-CB 4.37Å; L47-V50 HydrophobicContact CB-CG2 4.19Å; L47-V50 WeakPolarHBondContact O-CB 3.17Å; L47-V50 PolarHBondContact O-N 2.78Å; L47-D51 PolarHBondContact O-N 3.04Å; L47-Y399 VanDerWaalsContact CD2-C 3.41Å; L47-E400 HydrophobicContact CD2-CB 4.1Å
48K94.5Very high97.8Very high99 Ų9935.7 Ų35.743%0.4318%0.179SC..Hα-helixtrans-59.8-40176.7-173177.8-178.8-178.60113.2V50 D51 T52 D396 R397K48-V50 VanDerWaalsContact C-N 3.31Å; K48-D51 PolarHBondContact O-N 2.97Å; K48-T52 WeakPolarHBondContact O-CB 3.38Å; K48-T52 PolarHBondContact O-N 3.48Å; K48-T52 PolarHBondContact O-OG1 2.93Å; K48-D396 HydrophobicContact CB-CB 4.38Å; K48-D396 WeakPolarHBondContact CB-O 3.42Å; K48-D396 PolarHBondContact N-O 3.14Å; K48-R397 HydrophobicContact CB-CG 4.3Å; K48-R397 HydrophobicContact CD-CG 4.3Å
49D95.4Very high97.8Very high4 Ų437.3 Ų37.32%0.02118%0.181CC..Hα-helixtrans-66.2-35.6177-75.913.2000110K22 L26 L47 T52 S53 R397K22-D49 WeakPolarHBondContact CE-OD2 3.23Å; K22-D49 IonicContact NZ-OD2 3.04Å; K22-D49 PolarHBondContact NZ-OD2 3.12Å; L26-D49 HydrophobicContact CD1-CB 3.99Å; L26-D49 HydrophobicContact CD2-CB 4.06Å; L47-D49 VanDerWaalsContact C-N 3.33Å; L47-D49 PolarHBondContact O-N 3.11Å; D49-T52 PolarHBondContact O-N 2.76Å; D49-S53 PolarHBondContact O-N 3.02Å; D49-S53 PolarHBondContact O-OG 3.1Å; D49-S53 VanDerWaalsContact O-OG 3.13Å; D49-R397 WeakPolarHBondContact OD1-CB 3.42Å; D49-R397 WeakPolarHBondContact OD1-CG 3.41Å; D49-R397 IonicContact OD1-CZ 2.99Å; D49-R397 IonicContact OD1-NE 3.52Å; D49-R397 PolarHBondContact OD1-NE 3.29Å; D49-R397 IonicContact OD1-NH2 3.55Å; D49-R397 IonicContact OD2-CZ 3.97Å; D49-R397 IonicContact OD2-NE 2.71Å; D49-R397 IonicContact OD2-NH2 2.86Å; D49-R397 PolarHBondContact OD2-NH2 3.24Å
50V97.5Very high97.7Very high0 Ų037.1 Ų37.10%018%0.18CC..Hα-helixtrans-67.2-47.7175.1168.30000111.2L26 L29 V44 P45 L47 K48 T52 S53 M54L26-V50 HydrophobicContact CD2-CG2 4.25Å; L29-V50 HydrophobicContact CD1-CG1 4.13Å; L29-V50 HydrophobicContact CD1-CG2 4.41Å; V44-V50 HydrophobicContact CG1-CG1 3.63Å; V44-V50 HydrophobicContact CG1-CG2 4.17Å; P45-V50 HydrophobicContact CG-CG2 4.39Å; L47-V50 HydrophobicContact CB-CB 4.37Å; L47-V50 HydrophobicContact CB-CG2 4.19Å; L47-V50 WeakPolarHBondContact O-CB 3.17Å; L47-V50 PolarHBondContact O-N 2.78Å; K48-V50 VanDerWaalsContact C-N 3.31Å; V50-T52 PolarHBondContact O-N 3.28Å; V50-S53 PolarHBondContact O-N 3.31Å; V50-S53 VanDerWaalsContact O-N 3.15Å; V50-M54 HydrophobicContact CG1-CG 4.45Å; V50-M54 HydrophobicContact CG1-SD 4.16Å; V50-M54 WeakPolarHBondContact O-CG 3.35Å; V50-M54 PolarHBondContact O-N 3.48Å
51D97.2Very high97.7Very high58 Ų5836 Ų3631%0.3118%0.18SC..Hα-helixtrans-60.5-34.6177.7-65.8-25.5000111.4L47 K48 K55 R66L47-D51 PolarHBondContact O-N 3.04Å; K48-D51 PolarHBondContact O-N 2.97Å; D51-K55 WeakPolarHBondContact O-CG 3.46Å; D51-K55 PolarHBondContact O-N 3.47Å; D51-R66 IonicContact OD1-CZ 3.39Å; D51-R66 VanDerWaalsContact OD1-CZ 3.28Å; D51-R66 IonicContact OD1-NH1 3.76Å; D51-R66 PolarHBondContact OD1-NH1 3.04Å; D51-R66 IonicContact OD1-NH2 2.72Å; D51-R66 PolarHBondContact OD1-NH2 3.28Å
52T96.4Very high97.7Very high15 Ų1536.1 Ų36.19%0.09218%0.182CC..Hα-helixtrans-68.5-45175.3-55.40000111.2K48 D49 V50 K55 L56 L86 M90K48-T52 WeakPolarHBondContact O-CB 3.38Å; K48-T52 PolarHBondContact O-N 3.48Å; K48-T52 PolarHBondContact O-OG1 2.93Å; D49-T52 PolarHBondContact O-N 2.76Å; V50-T52 PolarHBondContact O-N 3.28Å; T52-K55 PolarHBondContact O-N 3.2Å; T52-L56 WeakPolarHBondContact O-CB 3.44Å; T52-L56 PolarHBondContact O-N 3.44Å; T52-L86 HydrophobicContact CG2-CB 4.08Å; T52-L86 HydrophobicContact CG2-CD2 4.22Å; T52-M90 HydrophobicContact CG2-CE 3.88Å; T52-M90 HydrophobicContact CG2-CG 4.2Å; T52-M90 HydrophobicContact CG2-SD 3.83Å
53S97.9Very high97.7Very high0 Ų038.9 Ų38.90%019%0.193CC..Hα-helixtrans-60.2-44.5175-64.70000112.2L26 F30 D49 V50 K55 L56 L57 M90L26-S53 VanDerWaalsContact CD2-OG 3.3Å; L26-S53 WeakPolarHBondContact CD2-OG 3.38Å; F30-S53 WeakPolarHBondContact CE2-OG 3.41Å; D49-S53 PolarHBondContact O-N 3.02Å; D49-S53 PolarHBondContact O-OG 3.1Å; D49-S53 VanDerWaalsContact O-OG 3.13Å; V50-S53 PolarHBondContact O-N 3.31Å; V50-S53 VanDerWaalsContact O-N 3.15Å; S53-K55 PolarHBondContact O-N 2.86Å; S53-L56 PolarHBondContact O-N 3.21Å; S53-L57 VanDerWaalsContact O-CG 3.29Å; S53-L57 WeakPolarHBondContact O-CG 3.48Å; S53-L57 PolarHBondContact O-N 3.35Å; S53-M90 WeakPolarHBondContact OG-CE 3.23Å
54M98.4Very high97.7Very high24 Ų2438.5 Ų38.512%0.11819%0.192CC..Hα-helixtrans-58.2-47.1176.8-68.7174.869.500111.4V50 L56 L57 S58 V64 R66 V70V50-M54 HydrophobicContact CG1-CG 4.45Å; V50-M54 HydrophobicContact CG1-SD 4.16Å; V50-M54 WeakPolarHBondContact O-CG 3.35Å; V50-M54 PolarHBondContact O-N 3.48Å; M54-L56 VanDerWaalsContact C-N 3.34Å; M54-L56 PolarHBondContact O-N 2.84Å; M54-L57 PolarHBondContact O-N 3.45Å; M54-S58 PolarHBondContact O-N 3Å; M54-S58 PolarHBondContact O-OG 3.35Å; M54-V64 HydrophobicContact CB-CG1 3.91Å; M54-V64 HydrophobicContact CE-CG1 3.78Å; M54-V64 HydrophobicContact CG-CG1 3.84Å; M54-R66 HydrophobicContact CE-CB 3.6Å; M54-R66 HydrophobicContact SD-CB 4.38Å; M54-V70 HydrophobicContact CE-CG1 4.48Å; M54-V70 HydrophobicContact SD-CG2 4.31Å
55K98.1Very high97.7Very high130 Ų13044.1 Ų44.157%0.56522%0.217SC*.Hα-helixtrans-61.7-40.6176-71.6174-174.1178.30112.6D51 T52 S53 S58 Q59 L86D51-K55 WeakPolarHBondContact O-CG 3.46Å; D51-K55 PolarHBondContact O-N 3.47Å; T52-K55 PolarHBondContact O-N 3.2Å; S53-K55 PolarHBondContact O-N 2.86Å; K55-S58 PolarHBondContact O-N 3.04Å; K55-Q59 WeakPolarHBondContact O-CG 3.29Å; K55-Q59 PolarHBondContact O-N 3Å; K55-L86 HydrophobicContact CB-CD1 3.93Å
56L98Very high97.7Very high0 Ų048.1 Ų48.10%023%0.232CC..Hα-helixtrans-63.5-49.6179.3-172.6163.3000110.3F30 T52 S53 M54 S58 Q59 L60 A82 P83 L86 V87 M90F30-L56 HydrophobicContact CE1-CD1 4.21Å; F30-L56 HydrophobicContact CE1-CD2 3.83Å; F30-L56 HydrophobicContact CZ-CD1 4.21Å; T52-L56 WeakPolarHBondContact O-CB 3.44Å; T52-L56 PolarHBondContact O-N 3.44Å; S53-L56 PolarHBondContact O-N 3.21Å; M54-L56 VanDerWaalsContact C-N 3.34Å; M54-L56 PolarHBondContact O-N 2.84Å; L56-S58 VanDerWaalsContact C-N 3.29Å; L56-S58 PolarHBondContact O-N 2.88Å; L56-Q59 PolarHBondContact O-N 3.28Å; L56-L60 HydrophobicContact CD2-CD1 3.58Å; L56-L60 HydrophobicContact CD2-CG 4.01Å; L56-L60 WeakPolarHBondContact O-CG 3.33Å; L56-L60 PolarHBondContact O-N 2.88Å; L56-L60 VanDerWaalsContact O-N 3.07Å; L56-A82 HydrophobicContact CD2-CB 4.46Å; L56-P83 HydrophobicContact CG-CG 4.43Å; L56-L86 HydrophobicContact CB-CB 4.43Å; L56-L86 HydrophobicContact CB-CD1 3.82Å; L56-L86 HydrophobicContact CD1-CB 4.35Å; L56-V87 HydrophobicContact CD1-CG2 4.14Å; L56-M90 HydrophobicContact CD1-CE 3.9Å
57L98.6Very high97.4Very high1 Ų148.4 Ų48.41%0.00524%0.24CC..Hα-helixtrans-58-41.4176.3-68.1171.7000111.7L29 F30 L33 S53 M54 Q59 L60 G61 A62 V64 I72L29-L57 HydrophobicContact CB-CD1 4.19Å; L29-L57 WeakPolarHBondContact O-CD1 3.38Å; F30-L57 HydrophobicContact CD1-CD2 4.27Å; L33-L57 HydrophobicContact CD1-CD2 3.85Å; L33-L57 HydrophobicContact CD2-CD2 3.72Å; L33-L57 HydrophobicContact CG-CD2 3.58Å; S53-L57 VanDerWaalsContact O-CG 3.29Å; S53-L57 WeakPolarHBondContact O-CG 3.48Å; S53-L57 PolarHBondContact O-N 3.35Å; M54-L57 PolarHBondContact O-N 3.45Å; L57-Q59 PolarHBondContact O-N 3.09Å; L57-L60 WeakPolarHBondContact O-CB 3.43Å; L57-L60 PolarHBondContact O-N 3.46Å; L57-L60 VanDerWaalsContact O-N 3.13Å; L57-G61 PolarHBondContact O-N 2.85Å; L57-A62 HydrophobicContact CB-CB 4.34Å; L57-A62 WeakPolarHBondContact O-CB 3.48Å; L57-A62 PolarHBondContact O-N 2.88Å; L57-A62 VanDerWaalsContact O-N 3.09Å; L57-V64 HydrophobicContact CB-CG2 3.84Å; L57-I72 HydrophobicContact CD1-CD1 3.96Å
58S98.4Very high97Very high55 Ų5551.5 Ų51.539%0.38527%0.273SS..Hα-helixtrans-62-38.4173.9-61.60000113.7M54 K55 L56 L60 G61 A62M54-S58 PolarHBondContact O-N 3Å; M54-S58 PolarHBondContact O-OG 3.35Å; K55-S58 PolarHBondContact O-N 3.04Å; L56-S58 VanDerWaalsContact C-N 3.29Å; L56-S58 PolarHBondContact O-N 2.88Å; S58-L60 VanDerWaalsContact C-N 3.26Å; S58-L60 PolarHBondContact O-N 2.97Å; S58-G61 PolarHBondContact O-N 2.83Å; S58-A62 VanDerWaalsContact CA-O 3.31Å; S58-A62 WeakPolarHBondContact CA-O 3.44Å
59Q98.1Very high97.1Very high100 Ų10047.7 Ų47.747%0.46726%0.258SS..Hα-helixtrans-70.8-20.7175-71.5-168.930.900113.4K55 L56 L57 G61 P83K55-Q59 WeakPolarHBondContact O-CG 3.29Å; K55-Q59 PolarHBondContact O-N 3Å; L56-Q59 PolarHBondContact O-N 3.28Å; L57-Q59 PolarHBondContact O-N 3.09Å; Q59-G61 VanDerWaalsContact C-N 3.25Å; Q59-P83 HydrophobicContact CB-CG 4.25Å
60L98.5Very high97.3Very high0 Ų047.5 Ų47.50%026%0.257CS..THydrogen-bonded Turntrans-77.9-11.5169.8-61.9176.1000112.7L33 L56 L57 S58 V77 N78 V79 L100L33-L60 HydrophobicContact CD1-CD1 3.98Å; L33-L60 HydrophobicContact CD2-CD1 4.12Å; L56-L60 HydrophobicContact CD2-CD1 3.58Å; L56-L60 HydrophobicContact CD2-CG 4.01Å; L56-L60 WeakPolarHBondContact O-CG 3.33Å; L56-L60 PolarHBondContact O-N 2.88Å; L56-L60 VanDerWaalsContact O-N 3.07Å; L57-L60 WeakPolarHBondContact O-CB 3.43Å; L57-L60 PolarHBondContact O-N 3.46Å; L57-L60 VanDerWaalsContact O-N 3.13Å; S58-L60 VanDerWaalsContact C-N 3.26Å; S58-L60 PolarHBondContact O-N 2.97Å; L60-V77 HydrophobicContact CB-CG1 4.45Å; L60-V77 WeakPolarHBondContact O-CG1 3.15Å; L60-N78 PolarHBondContact O-N 2.96Å; L60-V79 HydrophobicContact CD2-CG1 4.46Å; L60-V79 VanDerWaalsContact CD2-O 3.28Å; L60-V79 WeakPolarHBondContact CD2-O 3.43Å; L60-V79 PolarHBondContact O-N 3.24Å; L60-V79 VanDerWaalsContact O-N 3.08Å; L60-L100 HydrophobicContact CD1-CD1 4.29Å; L60-L100 HydrophobicContact CD1-CD2 4.45Å; L60-L100 HydrophobicContact CD2-CD1 4.43Å
61G98.4Very high97.3Very high24 Ų2450.3 Ų50.325%0.24727%0.27CS..THydrogen-bonded Turntrans106.80.5179.700000114.8L57 S58 Q59L57-G61 PolarHBondContact O-N 2.85Å; S58-G61 PolarHBondContact O-N 2.83Å; Q59-G61 VanDerWaalsContact C-N 3.25Å
62A98.7Very high97.4Very high4 Ų447.8 Ų47.83%0.03326%0.257CS..  trans-73.9140.917500000111.3L57 S58 V64 I72 A74 V77L57-A62 HydrophobicContact CB-CB 4.34Å; L57-A62 WeakPolarHBondContact O-CB 3.48Å; L57-A62 PolarHBondContact O-N 2.88Å; L57-A62 VanDerWaalsContact O-N 3.09Å; S58-A62 VanDerWaalsContact CA-O 3.31Å; S58-A62 WeakPolarHBondContact CA-O 3.44Å; A62-V64 HydrophobicContact CB-CG2 4.09Å; A62-V64 PolarHBondContact O-N 3.46Å; A62-I72 HydrophobicContact CB-CG2 4.42Å; A62-A74 HydrophobicContact CB-CB 4.35Å; A62-V77 HydrophobicContact CB-CG2 3.78Å
63K98.8Very high97.5Very high116 Ų11648 Ų4850%0.50426%0.258SS..EExtended strand (participates in β ladder)trans-83.3118.7171-58.9168.3-165.5149.20107.7I72 D73 D76K63-I72 WeakPolarHBondContact O-CA 2.97Å; K63-D73 HydrophobicContact CB-CB 4.26Å; K63-D73 PolarHBondContact N-O 2.82Å; K63-D73 IonicContact NZ-OD2 3.58Å; K63-D73 PolarHBondContact O-N 2.83Å; K63-D76 WeakPolarHBondContact CE-OD2 3.25Å; K63-D76 IonicContact NZ-OD2 3.82Å; K63-D76 PolarHBondContact NZ-OD2 3.19Å
64V98.7Very high97.6Very high27 Ų2748 Ų4816%0.16426%0.258CS..EExtended strand (participates in β ladder)trans-130.3125.4-174.6-173.10000110M54 L57 A62 V70 H71 I72M54-V64 HydrophobicContact CB-CG1 3.91Å; M54-V64 HydrophobicContact CE-CG1 3.78Å; M54-V64 HydrophobicContact CG-CG1 3.84Å; L57-V64 HydrophobicContact CB-CG2 3.84Å; A62-V64 HydrophobicContact CB-CG2 4.09Å; A62-V64 PolarHBondContact O-N 3.46Å; V64-V70 HydrophobicContact CG1-CG1 4.06Å; V64-H71 WeakPolarHBondContact CA-O 3.48Å; V64-I72 HydrophobicContact CG1-CG1 4.17Å; V64-I72 HydrophobicContact CG2-CG1 4.27Å; V64-I72 HydrophobicContact CG2-CG2 4.47Å
65E98.2Very high97.6Very high129 Ų12952.1 Ų52.160%0.60327%0.272SS*.EExtended strand (participates in β ladder)trans-137.3162.1175.264.1178.9-170.600111.5V70 H71E65-V70 CarbonylContact O-C 3.59Å; E65-V70 WeakPolarHBondContact O-CA 3.19Å; E65-H71 HydrophobicContact CG-CB 3.87Å; E65-H71 PolarHBondContact N-O 3.43Å; E65-H71 PolarHBondContact O-N 2.93Å
66R97.5Very high97.6Very high88 Ų8850.3 Ų50.333%0.33227%0.268SS..EExtended strand (participates in β ladder)trans-136.8116.9178.4-180178.162-164.3-9.1111.3D51 M54 S69 V70D51-R66 IonicContact OD1-CZ 3.39Å; D51-R66 VanDerWaalsContact OD1-CZ 3.28Å; D51-R66 IonicContact OD1-NH1 3.76Å; D51-R66 PolarHBondContact OD1-NH1 3.04Å; D51-R66 IonicContact OD1-NH2 2.72Å; D51-R66 PolarHBondContact OD1-NH2 3.28Å; M54-R66 HydrophobicContact CE-CB 3.6Å; M54-R66 HydrophobicContact SD-CB 4.38Å; R66-S69 CarbonylContact C-O 3.56Å; R66-S69 VanDerWaalsContact CA-O 3.23Å; R66-S69 WeakPolarHBondContact CA-O 3.35Å; R66-V70 HydrophobicContact CB-CG2 4.14Å; R66-V70 HydrophobicContact CG-CG2 3.97Å
67N90.8Very high97.6Very high139 Ų13950.6 Ų50.674%0.74327%0.27SS*.SBendtrans-139.385.7171.2-174.621.7000110.4S69N67-S69 PolarHBondContact N-O 2.91Å; N67-S69 PolarHBondContact O-N 3.15Å
68G88.2Confident97.6Very high69 Ų6955.9 Ų55.971%0.71130%0.298SS*.SBendtrans76.2-50.6-170.300000112.8
69S97.6Very high97.6Very high18 Ų1856.1 Ų56.113%0.12630%0.297CS..SBendtrans-107.6165.1168.7-59.20000110.5E40 I41 R66 N67E40-S69 PolarHBondContact OE1-OG 2.9Å; E40-S69 VanDerWaalsContact OE1-OG 3.11Å; I41-S69 WeakPolarHBondContact O-CA 3.24Å; I41-S69 WeakPolarHBondContact O-CB 3.14Å; R66-S69 CarbonylContact C-O 3.56Å; R66-S69 VanDerWaalsContact CA-O 3.23Å; R66-S69 WeakPolarHBondContact CA-O 3.35Å; N67-S69 PolarHBondContact N-O 2.91Å; N67-S69 PolarHBondContact O-N 3.15Å
70V98.7Very high97.6Very high0 Ų053.5 Ų53.50%029%0.285CS..EExtended strand (participates in β ladder)trans-96.3128.7167.6176.70000108.7L29 I41 V44 M54 V64 E65 R66 I72L29-V70 HydrophobicContact CD2-CB 4.42Å; L29-V70 HydrophobicContact CD2-CG1 3.83Å; I41-V70 PolarHBondContact N-O 2.94Å; I41-V70 PolarHBondContact O-N 3.18Å; V44-V70 HydrophobicContact CB-CG2 3.85Å; V44-V70 HydrophobicContact CG1-CG2 3.83Å; V44-V70 HydrophobicContact CG2-CB 4.21Å; V44-V70 HydrophobicContact CG2-CG2 3.9Å; M54-V70 HydrophobicContact CE-CG1 4.48Å; M54-V70 HydrophobicContact SD-CG2 4.31Å; V64-V70 HydrophobicContact CG1-CG1 4.06Å; E65-V70 CarbonylContact O-C 3.59Å; E65-V70 WeakPolarHBondContact O-CA 3.19Å; R66-V70 HydrophobicContact CB-CG2 4.14Å; R66-V70 HydrophobicContact CG-CG2 3.97Å; V70-I72 HydrophobicContact CG1-CD1 4.29Å; V70-I72 HydrophobicContact CG1-CG1 4.01Å
71H98.9Very high97.6Very high59 Ų5955.6 Ų55.627%0.27330%0.299SS..EExtended strand (participates in β ladder)trans-108.5133.5174.6-59.3-90.6000109.7V39 E40 V64 E65V39-H71 CarbonylContact O-C 3.36Å; V39-H71 VanDerWaalsContact O-CA 3.32Å; V39-H71 WeakPolarHBondContact O-CA 3.4Å; E40-H71 VanDerWaalsContact CG-CE1 3.48Å; E40-H71 WeakPolarHBondContact CG-CE1 3.25Å; E40-H71 IonicContact OE2-CE1 3.48Å; E40-H71 PolarHBondContact OE2-CE1 3.34Å; V64-H71 WeakPolarHBondContact CA-O 3.48Å; E65-H71 HydrophobicContact CG-CB 3.87Å; E65-H71 PolarHBondContact N-O 3.43Å; E65-H71 PolarHBondContact O-N 2.93Å
72I98.9Very high97.5Very high5 Ų554.5 Ų54.53%0.02629%0.287CS..EExtended strand (participates in β ladder)trans-129.7127.7-179.6-59.7178.1000109.4L29 A32 P38 V39 I41 L57 A62 K63 V64 V70 A74L29-I72 HydrophobicContact CD2-CD1 3.73Å; A32-I72 HydrophobicContact CB-CB 4.36Å; A32-I72 HydrophobicContact CB-CD1 3.74Å; A32-I72 HydrophobicContact CB-CG2 4.11Å; P38-I72 WeakPolarHBondContact CA-O 3.36Å; V39-I72 PolarHBondContact N-O 2.97Å; V39-I72 PolarHBondContact O-N 3.08Å; I41-I72 HydrophobicContact CD1-CD1 3.87Å; L57-I72 HydrophobicContact CD1-CD1 3.96Å; A62-I72 HydrophobicContact CB-CG2 4.42Å; K63-I72 WeakPolarHBondContact O-CA 2.97Å; V64-I72 HydrophobicContact CG1-CG1 4.17Å; V64-I72 HydrophobicContact CG2-CG1 4.27Å; V64-I72 HydrophobicContact CG2-CG2 4.47Å; V70-I72 HydrophobicContact CG1-CD1 4.29Å; V70-I72 HydrophobicContact CG1-CG1 4.01Å; I72-A74 HydrophobicContact CG2-CB 4.25Å
73D98.8Very high97.2Very high20 Ų2055.2 Ų55.211%0.10729%0.291CS..EExtended strand (participates in β ladder)trans-117.4105.9163.6177.15.4000108.6K63 R75K63-D73 HydrophobicContact CB-CB 4.26Å; K63-D73 PolarHBondContact N-O 2.82Å; K63-D73 IonicContact NZ-OD2 3.58Å; K63-D73 PolarHBondContact O-N 2.83Å; D73-R75 WeakPolarHBondContact OD1-CB 3.34Å; D73-R75 WeakPolarHBondContact OD1-CG 3.3Å; D73-R75 IonicContact OD1-CZ 2.91Å; D73-R75 PolarHBondContact OD1-N 2.84Å; D73-R75 VanDerWaalsContact OD1-N 3.14Å; D73-R75 IonicContact OD1-NE 3.67Å; D73-R75 PolarHBondContact OD1-NE 2.88Å; D73-R75 IonicContact OD1-NH2 2.96Å; D73-R75 IonicContact OD2-CZ 3.36Å; D73-R75 IonicContact OD2-NE 2.76Å; D73-R75 PolarHBondContact OD2-NE 3.13Å; D73-R75 IonicContact OD2-NH2 3.62Å; D73-R75 PolarHBondContact OD2-NH2 3.4Å
74A98.7Very high97Very high1 Ų155.4 Ų55.41%0.00829%0.29CS..  trans-100.110.3-176.500000113.3A32 A62 I72 D76 V77 R103A32-A74 WeakPolarHBondContact O-CB 3.45Å; A62-A74 HydrophobicContact CB-CB 4.35Å; I72-A74 HydrophobicContact CG2-CB 4.25Å; A74-D76 VanDerWaalsContact C-N 3.31Å; A74-D76 PolarHBondContact O-N 2.81Å; A74-V77 HydrophobicContact CB-CG2 3.98Å; A74-V77 WeakPolarHBondContact O-CG2 3.45Å; A74-V77 PolarHBondContact O-N 3.43Å; A74-R103 PolarHBondContact O-NH1 2.92Å; A74-R103 PolarHBondContact O-NH2 3.07Å
75R98.6Very high96.6Very high110 Ų11058 Ų5842%0.41530%0.303SS..THydrogen-bonded Turntrans-59.8-41-178.1-73175.7-65.7-175.85.5112.8E36 E37 D73 R103E36-R75 WeakPolarHBondContact O-CD 3.48Å; E36-R75 WeakPolarHBondContact O-CG 3.41Å; E37-R75 IonicContact OE2-NH1 2.73Å; D73-R75 WeakPolarHBondContact OD1-CB 3.34Å; D73-R75 WeakPolarHBondContact OD1-CG 3.3Å; D73-R75 IonicContact OD1-CZ 2.91Å; D73-R75 PolarHBondContact OD1-N 2.84Å; D73-R75 VanDerWaalsContact OD1-N 3.14Å; D73-R75 IonicContact OD1-NE 3.67Å; D73-R75 PolarHBondContact OD1-NE 2.88Å; D73-R75 IonicContact OD1-NH2 2.96Å; D73-R75 IonicContact OD2-CZ 3.36Å; D73-R75 IonicContact OD2-NE 2.76Å; D73-R75 PolarHBondContact OD2-NE 3.13Å; D73-R75 IonicContact OD2-NH2 3.62Å; D73-R75 PolarHBondContact OD2-NH2 3.4Å; R75-R103 PolarHBondContact O-NH2 3.33Å
76D98.2Very high96.4Very high91 Ų9152.8 Ų52.849%0.48728%0.279SS..THydrogen-bonded Turntrans-93.414.1-174.4-57.4-48.2000113.9K63 A74 N78K63-D76 WeakPolarHBondContact CE-OD2 3.25Å; K63-D76 IonicContact NZ-OD2 3.82Å; K63-D76 PolarHBondContact NZ-OD2 3.19Å; A74-D76 VanDerWaalsContact C-N 3.31Å; A74-D76 PolarHBondContact O-N 2.81Å; D76-N78 PolarHBondContact O-N 2.78Å
77V98.7Very high96.1Very high7 Ų748.6 Ų48.64%0.04226%0.263CS..  trans-57.4122.3175.3166.10000109.5L33 L60 A62 A74 L100 F104L33-V77 HydrophobicContact CD2-CG1 4.34Å; L33-V77 HydrophobicContact CD2-CG2 3.97Å; L60-V77 HydrophobicContact CB-CG1 4.45Å; L60-V77 WeakPolarHBondContact O-CG1 3.15Å; A62-V77 HydrophobicContact CB-CG2 3.78Å; A74-V77 HydrophobicContact CB-CG2 3.98Å; A74-V77 WeakPolarHBondContact O-CG2 3.45Å; A74-V77 PolarHBondContact O-N 3.43Å; V77-L100 HydrophobicContact CG1-CD2 4.38Å; V77-F104 HydrophobicContact CB-CE2 4.21Å; V77-F104 HydrophobicContact CB-CZ 3.76Å; V77-F104 HydrophobicContact CG1-CE2 3.6Å; V77-F104 HydrophobicContact CG1-CZ 3.64Å
78N98.5Very high96Very high111 Ų11146.8 Ų46.859%0.59425%0.249SC*.  trans-138.80.6-170.867.3-16.3000113.7L60 D76L60-N78 PolarHBondContact O-N 2.96Å; D76-N78 PolarHBondContact O-N 2.78Å
79V98.6Very high96.1Very high60 Ų6046.6 Ų46.636%0.36423%0.234SC..  trans-115.9127.6174.1175.20000108.4L60L60-V79 HydrophobicContact CD2-CG1 4.46Å; L60-V79 VanDerWaalsContact CD2-O 3.28Å; L60-V79 WeakPolarHBondContact CD2-O 3.43Å; L60-V79 PolarHBondContact O-N 3.24Å; L60-V79 VanDerWaalsContact O-N 3.08Å
80F98.3Very high95.7Very high46 Ų4645.7 Ų45.720%0.20223%0.228CC..  trans-113.510.6-173-40.7-67.5000113.2L100 F104 Q106 G107 Q108F80-L100 HydrophobicContact CD1-CD2 4.21Å; F80-F104 HydrophobicContact CD1-CB 3.83Å; F80-F104 HydrophobicContact CD1-CD1 4.49Å; F80-F104 AromaticContact CD1-CD2 3.92Å; F80-F104 HydrophobicContact CD1-CD2 3.92Å; F80-F104 AromaticContact CD1-CG 3.84Å; F80-F104 HydrophobicContact CD1-CG 3.84Å; F80-F104 HydrophobicContact CE1-CB 3.59Å; F80-F104 AromaticContact CE1-CD1 3.61Å; F80-F104 HydrophobicContact CE1-CD1 3.61Å; F80-F104 AromaticContact CE1-CD2 3.8Å; F80-F104 HydrophobicContact CE1-CD2 3.8Å; F80-F104 HydrophobicContact CE1-CE1 4.19Å; F80-F104 HydrophobicContact CE1-CE2 4.37Å; F80-F104 AromaticContact CE1-CG 3.37Å; F80-F104 HydrophobicContact CE1-CG 3.37Å; F80-F104 HydrophobicContact CZ-CB 4.26Å; F80-F104 HydrophobicContact CZ-CD1 4.24Å; F80-F104 HydrophobicContact CZ-CG 4.28Å; F80-Q106 HydrophobicContact CB-CG 4.17Å; F80-Q106 HydrophobicContact CD2-CG 4.02Å; F80-Q106 HydrophobicContact CG-CG 4.07Å; F80-G107 CarbonylContact O-C 3.55Å; F80-G107 WeakPolarHBondContact O-CA 3.45Å; F80-Q108 PolarHBondContact O-N 2.74Å
81C98.2Very high95.2Very high44 Ų4447.8 Ų47.830%0.29724%0.236SC..BIsolated β-bridgetrans-115.2114.8176.1-175.10000109.7Q108C81-Q108 WeakPolarHBondContact CA-O 3.23Å; C81-Q108 HydrophobicContact CB-CB 4.15Å
82A96Very high94.9Very high0 Ų045.3 Ų45.30%023%0.225CC..  trans-73.5132.717900000110.7L56 Y84 V87 Q108 V109L56-A82 HydrophobicContact CD2-CB 4.46Å; A82-Y84 PolarHBondContact O-N 3.4Å; A82-V87 HydrophobicContact CB-CG2 3.59Å; A82-Q108 PolarHBondContact N-O 3.1Å; A82-V109 HydrophobicContact CB-CB 4.44Å; A82-V109 HydrophobicContact CB-CG1 4.26Å; A82-V109 HydrophobicContact CB-CG2 4Å
83P93.2Very high94.7Very high19 Ų1945.1 Ų45.112%0.12322%0.224CC..  trans-67.8129.7-174.429.4-39.1000112.4L56 Q59 D85 L86 V87L56-P83 HydrophobicContact CG-CG 4.43Å; Q59-P83 HydrophobicContact CB-CG 4.25Å; P83-D85 VanDerWaalsContact C-N 3.33Å; P83-D85 PolarHBondContact O-N 3.29Å; P83-L86 HydrophobicContact CG-CB 4.13Å; P83-L86 HydrophobicContact CG-CD1 3.73Å; P83-L86 HydrophobicContact CG-CG 4Å; P83-L86 PolarHBondContact O-N 2.89Å; P83-V87 WeakPolarHBondContact O-CG2 3.32Å; P83-V87 PolarHBondContact O-N 3.07Å
84Y93.1Very high94.6Very high120 Ų12044.3 Ų44.347%0.47122%0.22SC..Hα-helixtrans-56.7-42.3-173.8174.6-108.1000113.7A82 L86 V87 K88 S110A82-Y84 PolarHBondContact O-N 3.4Å; Y84-L86 VanDerWaalsContact C-N 3.28Å; Y84-L86 PolarHBondContact O-N 3.29Å; Y84-V87 PolarHBondContact O-N 2.81Å; Y84-K88 HydrophobicContact CD1-CD 4.04Å; Y84-K88 HydrophobicContact CE1-CD 3.51Å; Y84-K88 HydrophobicContact CE2-CB 4.32Å; Y84-K88 HydrophobicContact CE2-CD 4.43Å; Y84-K88 WeakPolarHBondContact O-CB 3.33Å; Y84-K88 WeakPolarHBondContact O-CG 3.46Å; Y84-K88 PolarHBondContact O-N 3.19Å; Y84-S110 WeakPolarHBondContact CD2-OG 3.47Å
85D91.9Very high94.6Very high83 Ų8345.6 Ų45.644%0.44423%0.225SC..Hα-helixtrans-63.4-33.5-176.563.2-58.2000112.5P83 T89P83-D85 VanDerWaalsContact C-N 3.33Å; P83-D85 PolarHBondContact O-N 3.29Å; D85-T89 WeakPolarHBondContact O-CG2 3.33Å
86L93.1Very high94.5Very high18 Ų1840.3 Ų40.39%0.09421%0.205CC..Hα-helixtrans-81.7-45.2173.7-55.8-176.2000111T52 K55 L56 P83 Y84 K88 T89T52-L86 HydrophobicContact CG2-CB 4.08Å; T52-L86 HydrophobicContact CG2-CD2 4.22Å; K55-L86 HydrophobicContact CB-CD1 3.93Å; L56-L86 HydrophobicContact CB-CB 4.43Å; L56-L86 HydrophobicContact CB-CD1 3.82Å; L56-L86 HydrophobicContact CD1-CB 4.35Å; P83-L86 HydrophobicContact CG-CB 4.13Å; P83-L86 HydrophobicContact CG-CD1 3.73Å; P83-L86 HydrophobicContact CG-CG 4Å; P83-L86 PolarHBondContact O-N 2.89Å; Y84-L86 VanDerWaalsContact C-N 3.28Å; Y84-L86 PolarHBondContact O-N 3.29Å; L86-K88 VanDerWaalsContact C-N 3.33Å; L86-K88 PolarHBondContact O-N 3.26Å; L86-T89 PolarHBondContact O-N 3.46Å; L86-T89 VanDerWaalsContact O-N 3.1Å; L86-T89 PolarHBondContact O-OG1 3.41Å
87V90.8Very high94.5Very high0 Ų036 Ų360%018%0.182CC..Hα-helixtrans-57.7-43-176.9171.30000112.2L56 A82 P83 Y84 T89 S93 V109 S110L56-V87 HydrophobicContact CD1-CG2 4.14Å; A82-V87 HydrophobicContact CB-CG2 3.59Å; P83-V87 WeakPolarHBondContact O-CG2 3.32Å; P83-V87 PolarHBondContact O-N 3.07Å; Y84-V87 PolarHBondContact O-N 2.81Å; V87-T89 PolarHBondContact O-N 2.92Å; V87-S93 PolarHBondContact O-OG 3.38Å; V87-S93 VanDerWaalsContact O-OG 3.07Å; V87-V109 HydrophobicContact CG1-CG1 3.86Å; V87-V109 HydrophobicContact CG2-CG1 4.04Å; V87-S110 WeakPolarHBondContact CG1-O 3.29Å
88K90.3Very high94.5Very high102 Ų10235.7 Ų35.744%0.44318%0.18SC..THydrogen-bonded Turntrans-68.8-15.5-178.577.8-173.2-175.7-176.90114.2Y84 L86 G113Y84-K88 HydrophobicContact CD1-CD 4.04Å; Y84-K88 HydrophobicContact CE1-CD 3.51Å; Y84-K88 HydrophobicContact CE2-CB 4.32Å; Y84-K88 HydrophobicContact CE2-CD 4.43Å; Y84-K88 WeakPolarHBondContact O-CB 3.33Å; Y84-K88 WeakPolarHBondContact O-CG 3.46Å; Y84-K88 PolarHBondContact O-N 3.19Å; L86-K88 VanDerWaalsContact C-N 3.33Å; L86-K88 PolarHBondContact O-N 3.26Å; K88-G113 WeakPolarHBondContact O-CA 3.36Å
89T88.7Confident94.5Very high64 Ų6430.5 Ų30.539%0.39315%0.152SC..THydrogen-bonded Turntrans-88.6-19.3-174.764.50000113.3D85 L86 V87D85-T89 WeakPolarHBondContact O-CG2 3.33Å; L86-T89 PolarHBondContact O-N 3.46Å; L86-T89 VanDerWaalsContact O-N 3.1Å; L86-T89 PolarHBondContact O-OG1 3.41Å; V87-T89 PolarHBondContact O-N 2.92Å
90M89.3Confident94.5Very high0 Ų027.6 Ų27.60%014%0.135CC..  trans-142.6151.9-177.365.8172.4-179.600112.3F30 T52 S53 L56 A92 S93F30-M90 HydrophobicContact CE2-CE 4.07Å; F30-M90 HydrophobicContact CZ-CE 3.58Å; T52-M90 HydrophobicContact CG2-CE 3.88Å; T52-M90 HydrophobicContact CG2-CG 4.2Å; T52-M90 HydrophobicContact CG2-SD 3.83Å; S53-M90 WeakPolarHBondContact OG-CE 3.23Å; L56-M90 HydrophobicContact CD1-CE 3.9Å; M90-A92 HydrophobicContact SD-CB 4.35Å; M90-S93 PolarHBondContact O-OG 3.25Å
91R89.5Confident94.6Very high44 Ų4425.4 Ų25.417%0.16613%0.125CC..SBendtrans-74.4-34.3179.2-17369.2-177.4-165.8-3.3112.7S93 I94 G113 R120 P121R91-S93 PolarHBondContact O-N 2.68Å; R91-S93 VanDerWaalsContact O-N 3.13Å; R91-I94 WeakPolarHBondContact O-CG2 3.25Å; R91-I94 PolarHBondContact O-N 3.43Å; R91-G113 WeakPolarHBondContact CA-O 3.43Å; R91-G113 WeakPolarHBondContact CB-O 3.43Å; R91-G113 WeakPolarHBondContact CD-O 3.41Å; R91-G113 PolarHBondContact N-O 2.87Å; R91-R120 PolarHBondContact NH1-O 3.01Å; R91-R120 PolarHBondContact NH2-O 3.24Å; R91-P121 PolarHBondContact NH2-O 2.98Å
92A92.4Very high94.6Very high7 Ų723.8 Ų23.86%0.05811%0.114CC..G310 helixtrans-63.7-18.2-172.300000113.9L26 F30 M90 I94 W95L26-A92 HydrophobicContact CB-CB 3.91Å; L26-A92 HydrophobicContact CD1-CB 3.88Å; L26-A92 HydrophobicContact CD2-CB 4.37Å; L26-A92 HydrophobicContact CG-CB 4.27Å; F30-A92 WeakPolarHBondContact CD2-O 3.46Å; F30-A92 HydrophobicContact CE2-CB 3.94Å; F30-A92 VanDerWaalsContact CE2-O 3.23Å; F30-A92 WeakPolarHBondContact CE2-O 3.49Å; M90-A92 HydrophobicContact SD-CB 4.35Å; A92-I94 PolarHBondContact O-N 3.45Å; A92-I94 VanDerWaalsContact O-N 3.11Å; A92-W95 HydrophobicContact CB-CE3 3.6Å; A92-W95 HydrophobicContact CB-CZ3 3.62Å; A92-W95 WeakPolarHBondContact O-CB 3.38Å; A92-W95 PolarHBondContact O-N 3.18Å
93S93.8Very high94.7Very high0 Ų025.6 Ų25.60%012%0.121CC..G310 helixtrans-54.1-28.3177.1520000113.9V87 M90 R91 W95 A96V87-S93 PolarHBondContact O-OG 3.38Å; V87-S93 VanDerWaalsContact O-OG 3.07Å; M90-S93 PolarHBondContact O-OG 3.25Å; R91-S93 PolarHBondContact O-N 2.68Å; R91-S93 VanDerWaalsContact O-N 3.13Å; S93-W95 PolarHBondContact O-N 3.23Å; S93-A96 WeakPolarHBondContact O-CB 3.29Å; S93-A96 PolarHBondContact O-N 3.03Å; S93-A96 VanDerWaalsContact O-N 3.13Å
94I96.5Very high95Very high4 Ų427.3 Ų27.32%0.02113%0.127CC..G310 helixtrans-59.3-27.5175.3-167.458.1000113.1R91 A92 A96 L97 P112 V122R91-I94 WeakPolarHBondContact O-CG2 3.25Å; R91-I94 PolarHBondContact O-N 3.43Å; A92-I94 PolarHBondContact O-N 3.45Å; A92-I94 VanDerWaalsContact O-N 3.11Å; I94-A96 PolarHBondContact O-N 2.81Å; I94-L97 HydrophobicContact CD1-CD2 4.4Å; I94-L97 WeakPolarHBondContact O-CB 3.44Å; I94-L97 PolarHBondContact O-N 2.74Å; I94-L97 VanDerWaalsContact O-N 3.09Å; I94-P112 HydrophobicContact CB-CB 4.38Å; I94-P112 HydrophobicContact CB-CG 4.13Å; I94-V122 HydrophobicContact CD1-CB 4.43Å; I94-V122 HydrophobicContact CD1-CG1 4.19Å; I94-V122 HydrophobicContact CG1-CG1 4.07Å
95W98.3Very high95.2Very high27 Ų2722.3 Ų22.310%0.10211%0.112CC..G310 helixtrans-72.1-6.5179.3-67.6-44.8000113.9L26 P27 F30 A92 S93 L97 P99 G164 V167L26-W95 HydrophobicContact CB-CE3 4.43Å; L26-W95 HydrophobicContact CB-CZ3 3.88Å; P27-W95 HydrophobicContact CB-CD2 4.15Å; P27-W95 HydrophobicContact CB-CE3 3.93Å; P27-W95 HydrophobicContact CB-CH2 4.15Å; P27-W95 HydrophobicContact CB-CZ2 4.35Å; P27-W95 HydrophobicContact CB-CZ3 3.96Å; P27-W95 VanDerWaalsContact CD-CZ3 3.48Å; P27-W95 HydrophobicContact CG-CH2 4.19Å; P27-W95 HydrophobicContact CG-CZ3 4.14Å; F30-W95 HydrophobicContact CB-CB 3.72Å; F30-W95 HydrophobicContact CD2-CB 3.98Å; F30-W95 HydrophobicContact CD2-CE3 4.3Å; F30-W95 HydrophobicContact CG-CB 3.87Å; A92-W95 HydrophobicContact CB-CE3 3.6Å; A92-W95 HydrophobicContact CB-CZ3 3.62Å; A92-W95 WeakPolarHBondContact O-CB 3.38Å; A92-W95 PolarHBondContact O-N 3.18Å; S93-W95 PolarHBondContact O-N 3.23Å; W95-L97 VanDerWaalsContact C-N 3.28Å; W95-P99 WeakPolarHBondContact O-CD 3.34Å; W95-P99 WeakPolarHBondContact O-CG 3.32Å; W95-G164 PolarHBondContact NE1-O 2.89Å; W95-V167 HydrophobicContact CD2-CG1 4.23Å; W95-V167 HydrophobicContact CG-CG1 4.07Å; W95-V167 HydrophobicContact CZ2-CB 4.34Å; W95-V167 HydrophobicContact CZ2-CG1 4.49Å; W95-V167 HydrophobicContact CZ2-CG2 4.15Å
96A98.2Very high95.6Very high0 Ų022.3 Ų22.30%011%0.109CC..G310 helixtrans-67.5-30.7166.600000112F30 L33 S93 I94 L100 V109F30-A96 HydrophobicContact CD1-CB 3.83Å; F30-A96 HydrophobicContact CE1-CB 3.9Å; L33-A96 HydrophobicContact CD1-CB 4.36Å; S93-A96 WeakPolarHBondContact O-CB 3.29Å; S93-A96 PolarHBondContact O-N 3.03Å; S93-A96 VanDerWaalsContact O-N 3.13Å; I94-A96 PolarHBondContact O-N 2.81Å; A96-L100 HydrophobicContact CB-CD1 4.23Å; A96-L100 WeakPolarHBondContact O-CB 3.48Å; A96-L100 WeakPolarHBondContact O-CD1 3.38Å; A96-L100 WeakPolarHBondContact O-CG 3.39Å; A96-L100 PolarHBondContact O-N 2.92Å; A96-L100 VanDerWaalsContact O-N 3.13Å; A96-V109 HydrophobicContact CB-CG2 4.09Å
97L98.2Very high95.8Very high1 Ų121.5 Ų21.51%0.00511%0.105CC..Hα-helixtrans-63.2-50.7-170.4-171.667.6000112.7I94 W95 L100 V101 G107 V109 L129 V143 A145I94-L97 HydrophobicContact CD1-CD2 4.4Å; I94-L97 WeakPolarHBondContact O-CB 3.44Å; I94-L97 PolarHBondContact O-N 2.74Å; I94-L97 VanDerWaalsContact O-N 3.09Å; W95-L97 VanDerWaalsContact C-N 3.28Å; L97-L100 PolarHBondContact O-N 3.46Å; L97-V101 HydrophobicContact CD1-CG2 4.41Å; L97-V101 VanDerWaalsContact O-CG2 3.25Å; L97-V101 WeakPolarHBondContact O-CG2 3.38Å; L97-V101 PolarHBondContact O-N 3.42Å; L97-V101 VanDerWaalsContact O-N 3.07Å; L97-G107 WeakPolarHBondContact CD1-O 3.47Å; L97-V109 HydrophobicContact CB-CG2 3.92Å; L97-V109 HydrophobicContact CD1-CG2 4.1Å; L97-L129 HydrophobicContact CD2-CD1 3.82Å; L97-L129 HydrophobicContact CG-CD1 3.98Å; L97-V143 HydrophobicContact CD2-CB 4.31Å; L97-V143 HydrophobicContact CD2-CG1 3.64Å; L97-A145 HydrophobicContact CD1-CB 3.87Å; L97-A145 HydrophobicContact CG-CB 4.33Å
98G98.4Very high96.2Very high0 Ų024.4 Ų24.40%012%0.118CC..Hα-helixtrans-59.6-56.7-177.800000113.2L100 V101 A102G98-L100 PolarHBondContact O-N 3.44Å; G98-V101 PolarHBondContact O-N 2.92Å; G98-A102 VanDerWaalsContact O-CB 3.3Å; G98-A102 WeakPolarHBondContact O-CB 3.37Å; G98-A102 PolarHBondContact O-N 3.21Å
99P98.7Very high96.5Very high1 Ų119.5 Ų19.51%0.00610%0.097CC..Hα-helixtrans-53.9-43.3174.4-31.139000114.9L33 L34 W95 A102 R103 C171L33-P99 HydrophobicContact CB-CB 3.7Å; L33-P99 HydrophobicContact CD1-CB 4.22Å; L34-P99 HydrophobicContact CD2-CB 4.04Å; L34-P99 HydrophobicContact CG-CB 3.95Å; L34-P99 HydrophobicContact CG-CG 4.36Å; W95-P99 WeakPolarHBondContact O-CD 3.34Å; W95-P99 WeakPolarHBondContact O-CG 3.32Å; P99-A102 PolarHBondContact O-N 2.59Å; P99-R103 WeakPolarHBondContact O-CB 3.28Å; P99-R103 PolarHBondContact O-N 3.27Å; P99-C171 HydrophobicContact CG-CB 4.33Å
100L98.8Very high96.7Very high0 Ų016.9 Ų16.90%08%0.081CC..Hα-helixtrans-63.1-46.9179.4-73.8172.8000111.5L33 L60 V77 F80 A96 L97 G98 F104 Q106L33-L100 HydrophobicContact CD1-CD2 4.46Å; L33-L100 HydrophobicContact CD1-CG 4.32Å; L60-L100 HydrophobicContact CD1-CD1 4.29Å; L60-L100 HydrophobicContact CD1-CD2 4.45Å; L60-L100 HydrophobicContact CD2-CD1 4.43Å; V77-L100 HydrophobicContact CG1-CD2 4.38Å; F80-L100 HydrophobicContact CD1-CD2 4.21Å; A96-L100 HydrophobicContact CB-CD1 4.23Å; A96-L100 WeakPolarHBondContact O-CB 3.48Å; A96-L100 WeakPolarHBondContact O-CD1 3.38Å; A96-L100 WeakPolarHBondContact O-CG 3.39Å; A96-L100 PolarHBondContact O-N 2.92Å; A96-L100 VanDerWaalsContact O-N 3.13Å; L97-L100 PolarHBondContact O-N 3.46Å; G98-L100 PolarHBondContact O-N 3.44Å; L100-F104 HydrophobicContact CD2-CD2 4Å; L100-F104 HydrophobicContact CD2-CE2 4.18Å; L100-F104 WeakPolarHBondContact O-CA 3.47Å; L100-F104 WeakPolarHBondContact O-CB 3.2Å; L100-F104 PolarHBondContact O-N 2.79Å; L100-Q106 CarbonylContact C-O 3.49Å
101V98.7Very high96.8Very high0 Ų020.7 Ų20.70%010%0.101CC..Hα-helixtrans-66.6-42.8179.1177.50000111.2L97 G98 R103 G105 A134 A145 V147 L151L97-V101 HydrophobicContact CD1-CG2 4.41Å; L97-V101 VanDerWaalsContact O-CG2 3.25Å; L97-V101 WeakPolarHBondContact O-CG2 3.38Å; L97-V101 PolarHBondContact O-N 3.42Å; L97-V101 VanDerWaalsContact O-N 3.07Å; G98-V101 PolarHBondContact O-N 2.92Å; V101-R103 PolarHBondContact O-N 3Å; V101-G105 VanDerWaalsContact O-CA 3.23Å; V101-G105 WeakPolarHBondContact O-CA 3.47Å; V101-G105 PolarHBondContact O-N 2.97Å; V101-A134 HydrophobicContact CG1-CB 4.21Å; V101-A145 HydrophobicContact CG2-CB 3.44Å; V101-A145 VanDerWaalsContact CG2-CB 3.44Å; V101-V147 HydrophobicContact CG1-CG1 3.91Å; V101-L151 HydrophobicContact CG1-CD1 4.4Å; V101-L151 HydrophobicContact CG1-CD2 4.13Å; V101-L151 HydrophobicContact CG1-CG 4.48Å
102A98.7Very high96.7Very high9 Ų919.4 Ų19.47%0.07410%0.098CC..Hα-helixtrans-66-37.9-177.300000113L34 G98 P99 L151 A172 L175L34-A102 HydrophobicContact CD2-CB 4.16Å; G98-A102 VanDerWaalsContact O-CB 3.3Å; G98-A102 WeakPolarHBondContact O-CB 3.37Å; G98-A102 PolarHBondContact O-N 3.21Å; P99-A102 PolarHBondContact O-N 2.59Å; A102-L151 HydrophobicContact CB-CD1 3.94Å; A102-A172 HydrophobicContact CB-CB 4.18Å; A102-A172 WeakPolarHBondContact CB-O 3.2Å; A102-L175 HydrophobicContact CB-CB 4.35Å
103R98.7Very high96.3Very high39 Ų3920.3 Ų20.315%0.14711%0.109CC..Hα-helixtrans-90.7-39.6-177.7-173.7173.4173.2-148.1-9.5113.6L33 A35 E36 A74 R75 P99 V101 L175L33-R103 WeakPolarHBondContact O-CD 3.42Å; L33-R103 PolarHBondContact O-NH1 3Å; A35-R103 PolarHBondContact O-NH1 3.13Å; E36-R103 IonicContact OE2-NH2 2.92Å; A74-R103 PolarHBondContact O-NH1 2.92Å; A74-R103 PolarHBondContact O-NH2 3.07Å; R75-R103 PolarHBondContact O-NH2 3.33Å; P99-R103 WeakPolarHBondContact O-CB 3.28Å; P99-R103 PolarHBondContact O-N 3.27Å; V101-R103 PolarHBondContact O-N 3Å; R103-L175 HydrophobicContact CB-CD1 3.88Å; R103-L175 HydrophobicContact CG-CD1 4.29Å
104F98.6Very high95.4Very high55 Ų5521.4 Ų21.424%0.24112%0.12CC..Hα-helixtrans-113.21.4-170.6-54.4-74.4000113.9V77 F80 L100 Q106V77-F104 HydrophobicContact CB-CE2 4.21Å; V77-F104 HydrophobicContact CB-CZ 3.76Å; V77-F104 HydrophobicContact CG1-CE2 3.6Å; V77-F104 HydrophobicContact CG1-CZ 3.64Å; F80-F104 HydrophobicContact CD1-CB 3.83Å; F80-F104 HydrophobicContact CD1-CD1 4.49Å; F80-F104 AromaticContact CD1-CD2 3.92Å; F80-F104 HydrophobicContact CD1-CD2 3.92Å; F80-F104 AromaticContact CD1-CG 3.84Å; F80-F104 HydrophobicContact CD1-CG 3.84Å; F80-F104 HydrophobicContact CE1-CB 3.59Å; F80-F104 AromaticContact CE1-CD1 3.61Å; F80-F104 HydrophobicContact CE1-CD1 3.61Å; F80-F104 AromaticContact CE1-CD2 3.8Å; F80-F104 HydrophobicContact CE1-CD2 3.8Å; F80-F104 HydrophobicContact CE1-CE1 4.19Å; F80-F104 HydrophobicContact CE1-CE2 4.37Å; F80-F104 AromaticContact CE1-CG 3.37Å; F80-F104 HydrophobicContact CE1-CG 3.37Å; F80-F104 HydrophobicContact CZ-CB 4.26Å; F80-F104 HydrophobicContact CZ-CD1 4.24Å; F80-F104 HydrophobicContact CZ-CG 4.28Å; L100-F104 HydrophobicContact CD2-CD2 4Å; L100-F104 HydrophobicContact CD2-CE2 4.18Å; L100-F104 WeakPolarHBondContact O-CA 3.47Å; L100-F104 WeakPolarHBondContact O-CB 3.2Å; L100-F104 PolarHBondContact O-N 2.79Å; F104-Q106 PolarHBondContact O-N 2.94Å; F104-Q106 VanDerWaalsContact O-N 3.14Å
105G98.6Very high94.4Very high15 Ų1522 Ų2216%0.15513%0.125CC..SBendtrans72.1-0.8-17800000114.3V101 S146 V147V101-G105 VanDerWaalsContact O-CA 3.23Å; V101-G105 WeakPolarHBondContact O-CA 3.47Å; V101-G105 PolarHBondContact O-N 2.97Å; G105-S146 CarbonylContact O-C 3.47Å; G105-S146 WeakPolarHBondContact O-CA 3.5Å; G105-V147 PolarHBondContact O-N 2.89Å
106Q98.7Very high93.7Very high83 Ų8325.6 Ų25.639%0.38815%0.15SC..EExtended strand (participates in β ladder)trans-155149.4179.661.6-179.2900113.2F80 L100 F104 A145F80-Q106 HydrophobicContact CB-CG 4.17Å; F80-Q106 HydrophobicContact CD2-CG 4.02Å; F80-Q106 HydrophobicContact CG-CG 4.07Å; L100-Q106 CarbonylContact C-O 3.49Å; F104-Q106 PolarHBondContact O-N 2.94Å; F104-Q106 VanDerWaalsContact O-N 3.14Å; Q106-A145 CarbonylContact C-O 3.55Å; Q106-A145 WeakPolarHBondContact CA-O 3.25Å
107G98.2Very high93Very high0 Ų025.8 Ų25.80%015%0.151CC..EExtended strand (participates in β ladder)trans-163.2145175.900000112.3F80 L97 A145F80-G107 CarbonylContact O-C 3.55Å; F80-G107 WeakPolarHBondContact O-CA 3.45Å; L97-G107 WeakPolarHBondContact CD1-O 3.47Å; G107-A145 PolarHBondContact N-O 2.56Å; G107-A145 PolarHBondContact O-N 3.29Å
108Q98Very high92.4Very high61 Ų6126.9 Ų26.929%0.28516%0.162SC..EExtended strand (participates in β ladder)trans-134.7121.6-178.7-56.5163.25200109.4F80 C81 A82 Y142 V143 K144F80-Q108 PolarHBondContact O-N 2.74Å; C81-Q108 WeakPolarHBondContact CA-O 3.23Å; C81-Q108 HydrophobicContact CB-CB 4.15Å; A82-Q108 PolarHBondContact N-O 3.1Å; Q108-Y142 HydrophobicContact CB-CD1 4.43Å; Q108-V143 WeakPolarHBondContact CA-O 3.4Å; Q108-K144 HydrophobicContact CG-CB 4.22Å; Q108-K144 HydrophobicContact CG-CG 4.06Å
109V97Very high91.8Very high0 Ų031 Ų310%020%0.195CC..EExtended strand (participates in β ladder)trans-137133.3179.9-173.70000109A82 V87 A96 L97 V143A82-V109 HydrophobicContact CB-CB 4.44Å; A82-V109 HydrophobicContact CB-CG1 4.26Å; A82-V109 HydrophobicContact CB-CG2 4Å; V87-V109 HydrophobicContact CG1-CG1 3.86Å; V87-V109 HydrophobicContact CG2-CG1 4.04Å; A96-V109 HydrophobicContact CB-CG2 4.09Å; L97-V109 HydrophobicContact CB-CG2 3.92Å; L97-V109 HydrophobicContact CD1-CG2 4.1Å; V109-V143 PolarHBondContact N-O 3.3Å; V109-V143 PolarHBondContact O-N 3.32Å
110S94.3Very high91.3Very high8 Ų833.7 Ų33.76%0.05621%0.206CC..EExtended strand (participates in β ladder)trans-67.6158.6173.7-171.30000111.6Y84 V87 G141Y84-S110 WeakPolarHBondContact CD2-OG 3.47Å; V87-S110 WeakPolarHBondContact CG1-O 3.29Å; S110-G141 VanDerWaalsContact CA-O 3.32Å; S110-G141 WeakPolarHBondContact CA-O 3.41Å; S110-G141 PolarHBondContact OG-O 3.32Å; S110-G141 VanDerWaalsContact OG-O 3.07Å
111L90.5Very high90.9Very high81 Ų8137.6 Ų37.642%0.42423%0.231SC..PPolyproline II helixtrans-54.8126.3172.5-70.4174.2000110.2V122 L138 G141 V143L111-V122 HydrophobicContact CD2-CG2 3.71Å; L111-L138 HydrophobicContact CD1-CD1 4.47Å; L111-L138 HydrophobicContact CD2-CD1 4.46Å; L111-L138 HydrophobicContact CG-CD1 4.37Å; L111-G141 PolarHBondContact N-O 3.29Å; L111-V143 HydrophobicContact CD2-CG2 4.04Å
112P87.7Confident90.7Very high16 Ų1638.1 Ų38.110%0.10423%0.234CC..PPolyproline II helixtrans-78.6147.4-167.833.8-39.6000111.4I94 V122I94-P112 HydrophobicContact CB-CB 4.38Å; I94-P112 HydrophobicContact CB-CG 4.13Å; P112-V122 HydrophobicContact CG-CG1 3.84Å
113G82.9Confident90.6Very high27 Ų2741.2 Ų41.228%0.27825%0.249SC..  trans-90.3-139.7174.100000113.4K88 R91K88-G113 WeakPolarHBondContact O-CA 3.36Å; R91-G113 WeakPolarHBondContact CA-O 3.43Å; R91-G113 WeakPolarHBondContact CB-O 3.43Å; R91-G113 WeakPolarHBondContact CD-O 3.41Å; R91-G113 PolarHBondContact N-O 2.87Å
114G75.3Confident90.5Very high23 Ų2340.3 Ų40.324%0.23725%0.247CC..  trans112.2-144.7178.100000113.5
115C76.7Confident90.5Very high17 Ų1738 Ų3812%0.11524%0.237CC..  trans-71.7134.6-177.1-54.60000111.7I117 R120 D369 R397C115-I117 VanDerWaalsContact C-N 3.3Å; C115-I117 HydrophobicContact CB-CD1 4.4Å; C115-I117 HydrophobicContact CB-CG1 4.3Å; C115-I117 HydrophobicContact CB-CG2 4.15Å; C115-I117 PolarHBondContact O-N 3.36Å; C115-I117 VanDerWaalsContact O-N 3.13Å; C115-R120 PolarHBondContact O-NH1 3.01Å; C115-D369 HydrophobicContact CB-CB 4.06Å; C115-R397 PolarHBondContact SG-NH1 3.2Å
116T82.3Confident90.4Very high102 Ų10239 Ų3963%0.62624%0.239SC*.  trans-85.562.9178.552.70000111.4
117I83.7Confident90.4Very high4 Ų437.2 Ų37.22%0.02124%0.236CC..SBendtrans-110.74.6-176.660176.6000113.2C115 F328 N330 R331 D369C115-I117 VanDerWaalsContact C-N 3.3Å; C115-I117 HydrophobicContact CB-CD1 4.4Å; C115-I117 HydrophobicContact CB-CG1 4.3Å; C115-I117 HydrophobicContact CB-CG2 4.15Å; C115-I117 PolarHBondContact O-N 3.36Å; C115-I117 VanDerWaalsContact O-N 3.13Å; I117-F328 HydrophobicContact CD1-CB 4.43Å; I117-F328 HydrophobicContact CD1-CD1 3.88Å; I117-F328 HydrophobicContact CD1-CD2 3.6Å; I117-F328 HydrophobicContact CD1-CE1 3.98Å; I117-F328 HydrophobicContact CD1-CE2 3.68Å; I117-F328 HydrophobicContact CD1-CG 3.69Å; I117-F328 HydrophobicContact CD1-CZ 3.88Å; I117-F328 HydrophobicContact CG1-CB 4.47Å; I117-F328 HydrophobicContact CG1-CD1 3.92Å; I117-F328 HydrophobicContact CG1-CD2 4.42Å; I117-F328 HydrophobicContact CG1-CE1 4.26Å; I117-F328 HydrophobicContact CG1-CG 4.01Å; I117-N330 WeakPolarHBondContact CA-O 3.07Å; I117-N330 CarbonylContact O-C 3.56Å; I117-N330 PolarHBondContact O-N 3.1Å; I117-N330 VanDerWaalsContact O-N 3.07Å; I117-R331 HydrophobicContact CB-CB 4.32Å; I117-R331 HydrophobicContact CB-CG 4.07Å; I117-R331 HydrophobicContact CG2-CG 3.92Å; I117-D369 HydrophobicContact CG2-CB 4.2Å
118G86.1Confident90.4Very high23 Ų2337.3 Ų37.324%0.23724%0.236CC..SBendtrans162.5175-175.600000111.6E329G118-E329 VanDerWaalsContact C-OE1 3.31Å; G118-E329 WeakPolarHBondContact CA-OE1 3.21Å
119A85.3Confident90.4Very high86 Ų8634.4 Ų34.471%0.71122%0.223SC*.  trans-66.1-37.3179.100000112.1E329A119-E329 PolarHBondContact N-OE1 2.89Å
120R88Confident90.5Very high58 Ų5838.8 Ų38.822%0.21924%0.243CC..  trans47.969.5176.1-54.217870.6177.38.5111.3R91 C115 F328R91-R120 PolarHBondContact NH1-O 3.01Å; R91-R120 PolarHBondContact NH2-O 3.24Å; C115-R120 PolarHBondContact O-NH1 3.01Å; R120-F328 HydrophobicContact CG-CD1 4.32Å; R120-F328 HydrophobicContact CG-CE1 3.93Å
121P91.9Very high90.7Very high83 Ų8342.4 Ų42.454%0.53926%0.259SS..  trans-65.7165.3177.230.9-36.5000111.7R91 D123R91-P121 PolarHBondContact NH2-O 2.98Å; P121-D123 WeakPolarHBondContact CB-OD1 3.37Å; P121-D123 VanDerWaalsContact CG-OD1 3.22Å; P121-D123 WeakPolarHBondContact CG-OD1 3.49Å
122V93.8Very high91.1Very high10 Ų1038.6 Ų38.66%0.06124%0.24CC..  trans-114.915.1174.7-640000111.7I94 L111 P112 L124 H125 I126 V143I94-V122 HydrophobicContact CD1-CB 4.43Å; I94-V122 HydrophobicContact CD1-CG1 4.19Å; I94-V122 HydrophobicContact CG1-CG1 4.07Å; L111-V122 HydrophobicContact CD2-CG2 3.71Å; P112-V122 HydrophobicContact CG-CG1 3.84Å; V122-L124 VanDerWaalsContact C-N 3.29Å; V122-L124 PolarHBondContact O-N 3.47Å; V122-H125 VanDerWaalsContact O-CB 3.31Å; V122-H125 WeakPolarHBondContact O-CB 3.38Å; V122-H125 PolarHBondContact O-N 2.87Å; V122-I126 HydrophobicContact CG2-CD1 4.12Å; V122-I126 PolarHBondContact O-N 2.78Å; V122-I126 VanDerWaalsContact O-N 3.1Å; V122-V143 HydrophobicContact CG2-CG2 4.46Å
123D95.5Very high91.6Very high74 Ų7439.9 Ų39.940%0.39626%0.256SS..Hα-helixtrans-51.5-43.617857.4-43.9000112.6P121 H125 I126 S127P121-D123 WeakPolarHBondContact CB-OD1 3.37Å; P121-D123 VanDerWaalsContact CG-OD1 3.22Å; P121-D123 WeakPolarHBondContact CG-OD1 3.49Å; D123-H125 VanDerWaalsContact C-N 3.3Å; D123-H125 PolarHBondContact O-N 2.88Å; D123-I126 PolarHBondContact O-N 3.06Å; D123-S127 WeakPolarHBondContact O-CB 3.3Å; D123-S127 PolarHBondContact O-N 3.36Å
124L97.4Very high92.4Very high20 Ų2038.9 Ų38.911%0.10525%0.245CC..Hα-helixtrans-68.8-28.1178.4-57.1179.9000113.5V122 G128 M158 D159 K160 A165V122-L124 VanDerWaalsContact C-N 3.29Å; V122-L124 PolarHBondContact O-N 3.47Å; L124-G128 PolarHBondContact O-N 3.13Å; L124-G128 VanDerWaalsContact O-N 3.14Å; L124-M158 HydrophobicContact CD1-CE 4.45Å; L124-D159 WeakPolarHBondContact CD2-OD1 3.23Å; L124-K160 HydrophobicContact CD1-CB 4.12Å; L124-A165 HydrophobicContact CB-CB 3.53Å
125H97.9Very high93.5Very high7 Ų742.5 Ų42.53%0.03226%0.262CS..Hα-helixtrans-69.8-44.7173-61.8-114.9000110V122 D123 L129 G164 A165 T168V122-H125 VanDerWaalsContact O-CB 3.31Å; V122-H125 WeakPolarHBondContact O-CB 3.38Å; V122-H125 PolarHBondContact O-N 2.87Å; D123-H125 VanDerWaalsContact C-N 3.3Å; D123-H125 PolarHBondContact O-N 2.88Å; H125-L129 WeakPolarHBondContact O-CG 3.21Å; H125-L129 PolarHBondContact O-N 2.81Å; H125-L129 VanDerWaalsContact O-N 3.14Å; H125-G164 PolarHBondContact CE1-O 2.94Å; H125-A165 PolarHBondContact CE1-N 2.91Å; H125-A165 PolarHBondContact NE2-N 3.45Å; H125-T168 HydrophobicContact CB-CG2 4.3Å; H125-T168 PolarHBondContact CE1-OG1 3.21Å; H125-T168 PolarHBondContact ND1-OG1 3.27Å
126I97.6Very high94.5Very high35 Ų3542.8 Ų42.818%0.17926%0.262CS..Hα-helixtrans-63.2-56.4179.5-67.2170.7000109.8V122 D123 G128 L129 E130 I136 V143V122-I126 HydrophobicContact CG2-CD1 4.12Å; V122-I126 PolarHBondContact O-N 2.78Å; V122-I126 VanDerWaalsContact O-N 3.1Å; D123-I126 PolarHBondContact O-N 3.06Å; I126-G128 VanDerWaalsContact C-N 3.28Å; I126-G128 PolarHBondContact O-N 3.06Å; I126-L129 PolarHBondContact O-N 2.91Å; I126-L129 VanDerWaalsContact O-N 3.08Å; I126-E130 HydrophobicContact CG2-CG 4.32Å; I126-E130 WeakPolarHBondContact O-CG 3.35Å; I126-E130 PolarHBondContact O-N 3.03Å; I126-I136 HydrophobicContact CB-CD1 4.34Å; I126-I136 HydrophobicContact CG1-CG2 4.31Å; I126-I136 HydrophobicContact CG2-CB 4.12Å; I126-I136 HydrophobicContact CG2-CD1 4Å; I126-I136 HydrophobicContact CG2-CG2 3.91Å; I126-V143 HydrophobicContact CD1-CG1 4.16Å; I126-V143 HydrophobicContact CD1-CG2 4.4Å; I126-V143 HydrophobicContact CG1-CG1 4.01Å
127S98.2Very high95.2Very high47 Ų4743.4 Ų43.433%0.32926%0.256SS..Hα-helixtrans-56.6-41-179.7171.90000112.4D123 E130 Q131D123-S127 WeakPolarHBondContact O-CB 3.3Å; D123-S127 PolarHBondContact O-N 3.36Å; S127-E130 PolarHBondContact O-N 3.2Å; S127-Q131 WeakPolarHBondContact O-CB 3.22Å; S127-Q131 VanDerWaalsContact O-CG 3.3Å; S127-Q131 WeakPolarHBondContact O-CG 3.46Å; S127-Q131 PolarHBondContact O-N 2.74Å; S127-Q131 PolarHBondContact O-NE2 3.43Å; S127-Q131 PolarHBondContact OG-NE2 3Å; S127-Q131 VanDerWaalsContact OG-NE2 3.1Å
128G98.5Very high95.8Very high1 Ų148.4 Ų48.41%0.0128%0.283CS..Hα-helixtrans-65-40.9177.100000113.3L124 I126 L132L124-G128 PolarHBondContact O-N 3.13Å; L124-G128 VanDerWaalsContact O-N 3.14Å; I126-G128 VanDerWaalsContact C-N 3.28Å; I126-G128 PolarHBondContact O-N 3.06Å; G128-L132 WeakPolarHBondContact O-CG 3.49Å; G128-L132 PolarHBondContact O-N 3.13Å
129L98.7Very high96.2Very high0 Ų051 Ų510%029%0.289CS..Hα-helixtrans-70.5-36.9175.7-71175.1000112.2L97 H125 I126 Q131 L132 G133 A134 I136 T168 A172L97-L129 HydrophobicContact CD2-CD1 3.82Å; L97-L129 HydrophobicContact CG-CD1 3.98Å; H125-L129 WeakPolarHBondContact O-CG 3.21Å; H125-L129 PolarHBondContact O-N 2.81Å; H125-L129 VanDerWaalsContact O-N 3.14Å; I126-L129 PolarHBondContact O-N 2.91Å; I126-L129 VanDerWaalsContact O-N 3.08Å; L129-Q131 VanDerWaalsContact C-N 3.34Å; L129-L132 CarbonylContact O-C 3.6Å; L129-L132 WeakPolarHBondContact O-CB 3.39Å; L129-L132 PolarHBondContact O-N 2.89Å; L129-L132 VanDerWaalsContact O-N 3.14Å; L129-G133 PolarHBondContact O-N 2.79Å; L129-A134 HydrophobicContact CB-CB 4.1Å; L129-A134 VanDerWaalsContact O-CB 3.25Å; L129-A134 WeakPolarHBondContact O-CB 3.45Å; L129-A134 PolarHBondContact O-N 3.13Å; L129-I136 HydrophobicContact CB-CD1 3.71Å; L129-I136 HydrophobicContact CD1-CD1 4.15Å; L129-T168 HydrophobicContact CD1-CG2 4.07Å; L129-T168 HydrophobicContact CD2-CG2 4.25Å; L129-T168 HydrophobicContact CG-CG2 4.11Å; L129-A172 HydrophobicContact CD2-CB 3.57Å
130E98.7Very high96.5Very high93 Ų9355.3 Ų55.344%0.43529%0.294SS..Hα-helixtrans-62.2-41.6174.3-72.7175.7152.100111.8I126 S127 L132 G133 A134 I136I126-E130 HydrophobicContact CG2-CG 4.32Å; I126-E130 WeakPolarHBondContact O-CG 3.35Å; I126-E130 PolarHBondContact O-N 3.03Å; S127-E130 PolarHBondContact O-N 3.2Å; E130-L132 PolarHBondContact O-N 2.97Å; E130-G133 WeakPolarHBondContact O-CA 3.2Å; E130-G133 PolarHBondContact O-N 3.11Å; E130-A134 WeakPolarHBondContact CA-O 3.32Å; E130-I136 HydrophobicContact CG-CB 4.27Å; E130-I136 HydrophobicContact CG-CD1 4.17Å; E130-I136 HydrophobicContact CG-CG1 4.08Å
131Q98.7Very high96.6Very high84 Ų8454 Ų5439%0.39330%0.299SS..Hα-helixtrans-63.9-26.8174.4-74.1173.87700113S127 L129 G133 A154 I156S127-Q131 WeakPolarHBondContact O-CB 3.22Å; S127-Q131 VanDerWaalsContact O-CG 3.3Å; S127-Q131 WeakPolarHBondContact O-CG 3.46Å; S127-Q131 PolarHBondContact O-N 2.74Å; S127-Q131 PolarHBondContact O-NE2 3.43Å; S127-Q131 PolarHBondContact OG-NE2 3Å; S127-Q131 VanDerWaalsContact OG-NE2 3.1Å; L129-Q131 VanDerWaalsContact C-N 3.34Å; Q131-G133 PolarHBondContact O-N 3.4Å; Q131-A154 VanDerWaalsContact O-CB 3.32Å; Q131-A154 WeakPolarHBondContact O-CB 3.39Å; Q131-I156 HydrophobicContact CB-CD1 4.02Å; Q131-I156 HydrophobicContact CB-CG1 3.89Å
132L98.8Very high96.8Very high1 Ų152.6 Ų52.61%0.00528%0.283CS..THydrogen-bonded Turntrans-81.72.7170.6-64.8176.1000113.3G128 L129 E130 L151 K152 A154 I156 I169 A172 A173 T180G128-L132 WeakPolarHBondContact O-CG 3.49Å; G128-L132 PolarHBondContact O-N 3.13Å; L129-L132 CarbonylContact O-C 3.6Å; L129-L132 WeakPolarHBondContact O-CB 3.39Å; L129-L132 PolarHBondContact O-N 2.89Å; L129-L132 VanDerWaalsContact O-N 3.14Å; E130-L132 PolarHBondContact O-N 2.97Å; L132-L151 HydrophobicContact CB-CB 4.25Å; L132-L151 HydrophobicContact CB-CD1 4.36Å; L132-L151 HydrophobicContact CB-CD2 4.1Å; L132-L151 HydrophobicContact CB-CG 4.47Å; L132-L151 HydrophobicContact CD1-CD1 4.42Å; L132-L151 CarbonylContact O-C 3.53Å; L132-L151 WeakPolarHBondContact O-CA 3.38Å; L132-L151 WeakPolarHBondContact O-CB 3.44Å; L132-L151 WeakPolarHBondContact O-CD2 3.36Å; L132-K152 WeakPolarHBondContact CA-O 3.31Å; L132-K152 VanDerWaalsContact CD2-O 3.26Å; L132-K152 WeakPolarHBondContact CD2-O 3.25Å; L132-K152 PolarHBondContact O-N 2.8Å; L132-A154 HydrophobicContact CD2-CB 4.26Å; L132-I156 HydrophobicContact CD2-CD1 4Å; L132-I156 HydrophobicContact CG-CD1 4Å; L132-I169 HydrophobicContact CD1-CG2 4.29Å; L132-A172 HydrophobicContact CD1-CB 4.01Å; L132-A173 HydrophobicContact CD1-CB 4.43Å; L132-T180 HydrophobicContact CD2-CG2 4.05Å; L132-T180 VanDerWaalsContact CD2-OG1 3.28Å; L132-T180 WeakPolarHBondContact CD2-OG1 3.5Å
133G98.5Very high97Very high43 Ų4352.2 Ų52.244%0.44328%0.281SS..THydrogen-bonded Turntrans977.3176.400000115.6L129 E130 Q131L129-G133 PolarHBondContact O-N 2.79Å; E130-G133 WeakPolarHBondContact O-CA 3.2Å; E130-G133 PolarHBondContact O-N 3.11Å; Q131-G133 PolarHBondContact O-N 3.4Å
134A98.7Very high97.1Very high6 Ų650.7 Ų50.75%0.0527%0.271CS..  trans-72.2139.8172.800000111.3V101 L129 E130 I136 L151V101-A134 HydrophobicContact CG1-CB 4.21Å; L129-A134 HydrophobicContact CB-CB 4.1Å; L129-A134 VanDerWaalsContact O-CB 3.25Å; L129-A134 WeakPolarHBondContact O-CB 3.45Å; L129-A134 PolarHBondContact O-N 3.13Å; E130-A134 WeakPolarHBondContact CA-O 3.32Å; A134-I136 HydrophobicContact CB-CD1 4.44Å; A134-I136 HydrophobicContact CB-CG1 4.21Å; A134-L151 HydrophobicContact CB-CD2 4.01Å
135T98.7Very high97.2Very high98 Ų9850 Ų5060%0.60127%0.267SS*.EExtended strand (participates in β ladder)trans-90.3124.2163.3-61.20000108.6A145 S146T135-A145 WeakPolarHBondContact O-CA 3.36Å; T135-S146 PolarHBondContact N-O 3.33Å; T135-S146 PolarHBondContact O-N 3.14Å
136I98.3Very high97.2Very high23 Ų2352.4 Ų52.412%0.11829%0.285CS..EExtended strand (participates in β ladder)trans-120.7137.1-178.1-57.9-171.4000110.7I126 L129 E130 A134 V143 K144 A145I126-I136 HydrophobicContact CB-CD1 4.34Å; I126-I136 HydrophobicContact CG1-CG2 4.31Å; I126-I136 HydrophobicContact CG2-CB 4.12Å; I126-I136 HydrophobicContact CG2-CD1 4Å; I126-I136 HydrophobicContact CG2-CG2 3.91Å; L129-I136 HydrophobicContact CB-CD1 3.71Å; L129-I136 HydrophobicContact CD1-CD1 4.15Å; E130-I136 HydrophobicContact CG-CB 4.27Å; E130-I136 HydrophobicContact CG-CD1 4.17Å; E130-I136 HydrophobicContact CG-CG1 4.08Å; A134-I136 HydrophobicContact CB-CD1 4.44Å; A134-I136 HydrophobicContact CB-CG1 4.21Å; I136-V143 HydrophobicContact CG2-CG1 3.64Å; I136-K144 WeakPolarHBondContact CA-O 3.25Å; I136-A145 HydrophobicContact CD1-CB 4.03Å; I136-A145 HydrophobicContact CG1-CB 3.75Å
137K97.4Very high97.3Very high115 Ų11551.9 Ų51.950%0.528%0.284SS..EExtended strand (participates in β ladder)trans-131.4140.8169.461.3175.9176.6153.30110.9E139 K144K137-E139 WeakPolarHBondContact CE-OE2 3.06Å; K137-E139 IonicContact NZ-OE2 3.72Å; K137-E139 PolarHBondContact NZ-OE2 3.09Å; K137-K144 HydrophobicContact CG-CB 3.93Å; K137-K144 PolarHBondContact N-O 3.3Å; K137-K144 PolarHBondContact O-N 3.21Å
138L95.1Very high97.2Very high110 Ų11057.6 Ų57.658%0.57631%0.311SS*.EExtended strand (participates in β ladder)trans-97.9114170.8-176.864.4000108.8L111 Y142 V143L111-L138 HydrophobicContact CD1-CD1 4.47Å; L111-L138 HydrophobicContact CD2-CD1 4.46Å; L111-L138 HydrophobicContact CG-CD1 4.37Å; L138-Y142 WeakPolarHBondContact CA-O 3.19Å; L138-V143 HydrophobicContact CD1-CG2 4.09Å
139E94Very high97.2Very high77 Ų7760.2 Ų60.236%0.3634%0.338SS..EExtended strand (participates in β ladder)trans-140.8126.8-175.1-168.9-173.3163.900109.1K137 G141 Y142 K144K137-E139 WeakPolarHBondContact CE-OE2 3.06Å; K137-E139 IonicContact NZ-OE2 3.72Å; K137-E139 PolarHBondContact NZ-OE2 3.09Å; E139-G141 PolarHBondContact O-N 2.99Å; E139-G141 VanDerWaalsContact O-N 3.1Å; E139-Y142 PolarHBondContact N-O 3.36Å; E139-Y142 WeakPolarHBondContact O-CB 3.14Å; E139-Y142 PolarHBondContact O-N 2.87Å; E139-K144 HydrophobicContact CB-CD 4.32Å; E139-K144 IonicContact OE1-NZ 3.9Å; E139-K144 IonicContact OE2-NZ 3.67Å; E139-K144 PolarHBondContact OE2-NZ 2.99Å
140E92.4Very high97.2Very high176 Ų17664.8 Ų64.882%0.82236%0.355SS*.THydrogen-bonded Turntrans51.932.9-179.5-59.9-175138.800114.4Y142E140-Y142 VanDerWaalsContact C-N 3.27Å; E140-Y142 PolarHBondContact O-N 3.22Å
141G91Very high97.2Very high32 Ų3260.4 Ų60.433%0.3334%0.335SS..THydrogen-bonded Turntrans77.58.2-178.400000114.8S110 L111 E139S110-G141 VanDerWaalsContact CA-O 3.32Å; S110-G141 WeakPolarHBondContact CA-O 3.41Å; S110-G141 PolarHBondContact OG-O 3.32Å; S110-G141 VanDerWaalsContact OG-O 3.07Å; L111-G141 PolarHBondContact N-O 3.29Å; E139-G141 PolarHBondContact O-N 2.99Å; E139-G141 VanDerWaalsContact O-N 3.1Å
142Y95.5Very high97.2Very high53 Ų5362.5 Ų62.521%0.20834%0.342CS..EExtended strand (participates in β ladder)trans-102130.8171-78.9-101000111.5Q108 L138 E139 E140 K144Q108-Y142 HydrophobicContact CB-CD1 4.43Å; L138-Y142 WeakPolarHBondContact CA-O 3.19Å; E139-Y142 PolarHBondContact N-O 3.36Å; E139-Y142 WeakPolarHBondContact O-CB 3.14Å; E139-Y142 PolarHBondContact O-N 2.87Å; E140-Y142 VanDerWaalsContact C-N 3.27Å; E140-Y142 PolarHBondContact O-N 3.22Å; Y142-K144 PolarHBondContact O-N 3.14Å
143V96.9Very high97.2Very high1 Ų163.7 Ų63.71%0.00636%0.355CS..EExtended strand (participates in β ladder)trans-81.6105.7164-173.20000106.8L97 Q108 V109 L111 V122 I126 I136 L138L97-V143 HydrophobicContact CD2-CB 4.31Å; L97-V143 HydrophobicContact CD2-CG1 3.64Å; Q108-V143 WeakPolarHBondContact CA-O 3.4Å; V109-V143 PolarHBondContact N-O 3.3Å; V109-V143 PolarHBondContact O-N 3.32Å; L111-V143 HydrophobicContact CD2-CG2 4.04Å; V122-V143 HydrophobicContact CG2-CG2 4.46Å; I126-V143 HydrophobicContact CD1-CG1 4.16Å; I126-V143 HydrophobicContact CD1-CG2 4.4Å; I126-V143 HydrophobicContact CG1-CG1 4.01Å; I136-V143 HydrophobicContact CG2-CG1 3.64Å; L138-V143 HydrophobicContact CD1-CG2 4.09Å
144K98.4Very high97.2Very high43 Ų4362.8 Ų62.819%0.18734%0.343CS..EExtended strand (participates in β ladder)trans-102.6117.3178.8-54.6-179.6-179.2174.60108Q108 I136 K137 E139 Y142Q108-K144 HydrophobicContact CG-CB 4.22Å; Q108-K144 HydrophobicContact CG-CG 4.06Å; I136-K144 WeakPolarHBondContact CA-O 3.25Å; K137-K144 HydrophobicContact CG-CB 3.93Å; K137-K144 PolarHBondContact N-O 3.3Å; K137-K144 PolarHBondContact O-N 3.21Å; E139-K144 HydrophobicContact CB-CD 4.32Å; E139-K144 IonicContact OE1-NZ 3.9Å; E139-K144 IonicContact OE2-NZ 3.67Å; E139-K144 PolarHBondContact OE2-NZ 2.99Å; Y142-K144 PolarHBondContact O-N 3.14Å
145A98.6Very high97.2Very high4 Ų467.9 Ų67.93%0.03337%0.365CS..EExtended strand (participates in β ladder)trans-120.3140.9-178.400000110.5L97 V101 Q106 G107 T135 I136L97-A145 HydrophobicContact CD1-CB 3.87Å; L97-A145 HydrophobicContact CG-CB 4.33Å; V101-A145 HydrophobicContact CG2-CB 3.44Å; V101-A145 VanDerWaalsContact CG2-CB 3.44Å; Q106-A145 CarbonylContact C-O 3.55Å; Q106-A145 WeakPolarHBondContact CA-O 3.25Å; G107-A145 PolarHBondContact N-O 2.56Å; G107-A145 PolarHBondContact O-N 3.29Å; T135-A145 WeakPolarHBondContact O-CA 3.36Å; I136-A145 HydrophobicContact CD1-CB 4.03Å; I136-A145 HydrophobicContact CG1-CB 3.75Å
146S98.7Very high97.2Very high58 Ų5863.3 Ų63.341%0.40634%0.337SS..EExtended strand (participates in β ladder)trans-148.8151.4177.756.10000112.2G105 T135G105-S146 CarbonylContact O-C 3.47Å; G105-S146 WeakPolarHBondContact O-CA 3.5Å; T135-S146 PolarHBondContact N-O 3.33Å; T135-S146 PolarHBondContact O-N 3.14Å
147V98.7Very high97.2Very high24 Ų2466.8 Ų66.815%0.14536%0.36CS..  trans-142.1142.5171.361.40000108.9V101 G105 L151V101-V147 HydrophobicContact CG1-CG1 3.91Å; G105-V147 PolarHBondContact O-N 2.89Å; V147-L151 HydrophobicContact CB-CD2 4.05Å; V147-L151 HydrophobicContact CG1-CD2 3.95Å; V147-L151 HydrophobicContact CG1-CG 4.18Å; V147-L151 HydrophobicContact CG2-CD2 4.15Å
148D98.1Very high97.3Very high168 Ų16861.8 Ų61.890%0.89834%0.338SS*.SBendtrans-88.4116.3171.6-174.925.8000109.5
149G97.5Very high97.3Very high56 Ų5662.6 Ų62.658%0.57734%0.343SS*.SBendtrans77.3-140.1-170.700000113
150R98.4Very high97.3Very high96 Ų9665.3 Ų65.336%0.36235%0.354SS..  trans-90.7148.5179.6-69.9172.166.1-170.3-0.8110.6L175 A176 V218R150-L175 PolarHBondContact NE-O 3Å; R150-L175 PolarHBondContact NH2-O 2.9Å; R150-A176 PolarHBondContact NH2-O 3.1Å; R150-V218 PolarHBondContact NH2-O 3.39Å
151L98.8Very high97.6Very high1 Ų159.2 Ų59.21%0.00533%0.328CS..  trans-54.5160.7159.9-68.2174.2000110.1V101 A102 L132 A134 V147 A172 A176 E177V101-L151 HydrophobicContact CG1-CD1 4.4Å; V101-L151 HydrophobicContact CG1-CD2 4.13Å; V101-L151 HydrophobicContact CG1-CG 4.48Å; A102-L151 HydrophobicContact CB-CD1 3.94Å; L132-L151 HydrophobicContact CB-CB 4.25Å; L132-L151 HydrophobicContact CB-CD1 4.36Å; L132-L151 HydrophobicContact CB-CD2 4.1Å; L132-L151 HydrophobicContact CB-CG 4.47Å; L132-L151 HydrophobicContact CD1-CD1 4.42Å; L132-L151 CarbonylContact O-C 3.53Å; L132-L151 WeakPolarHBondContact O-CA 3.38Å; L132-L151 WeakPolarHBondContact O-CB 3.44Å; L132-L151 WeakPolarHBondContact O-CD2 3.36Å; A134-L151 HydrophobicContact CB-CD2 4.01Å; V147-L151 HydrophobicContact CB-CD2 4.05Å; V147-L151 HydrophobicContact CG1-CD2 3.95Å; V147-L151 HydrophobicContact CG1-CG 4.18Å; V147-L151 HydrophobicContact CG2-CD2 4.15Å; L151-A172 HydrophobicContact CD1-CB 3.86Å; L151-A176 HydrophobicContact CB-CB 3.87Å; L151-A176 CarbonylContact O-C 3.57Å; L151-A176 VanDerWaalsContact O-CA 3.23Å; L151-A176 WeakPolarHBondContact O-CA 3.4Å; L151-E177 PolarHBondContact O-N 3.31Å
152K98.9Very high97.9Very high128 Ų12859.1 Ų59.156%0.55732%0.322SS*.BIsolated β-bridgetrans-120.1139.6179-65.1-173.9176.8-177.80110.8L132L132-K152 WeakPolarHBondContact CA-O 3.31Å; L132-K152 VanDerWaalsContact CD2-O 3.26Å; L132-K152 WeakPolarHBondContact CD2-O 3.25Å; L132-K152 PolarHBondContact O-N 2.8Å
153G98.7Very high98Very high26 Ų2659 Ų5927%0.26833%0.327SS..  trans-60.3142177.100000111.8E177 T179 T180G153-E177 PolarHBondContact N-O 2.7Å; G153-T179 CarbonylContact C-O 3.59Å; G153-T179 VanDerWaalsContact C-O 3.31Å; G153-T179 WeakPolarHBondContact CA-O 3.47Å; G153-T180 WeakPolarHBondContact CA-OG1 3.43Å
154A98.8Very high98Very high23 Ų2359.7 Ų59.719%0.1933%0.334CS..  trans-144.4158.3-177.300000112.3Q131 L132 I156 T179 T180 I181Q131-A154 VanDerWaalsContact O-CB 3.32Å; Q131-A154 WeakPolarHBondContact O-CB 3.39Å; L132-A154 HydrophobicContact CD2-CB 4.26Å; A154-I156 HydrophobicContact CB-CD1 4.4Å; A154-I156 HydrophobicContact CB-CG1 4.06Å; A154-T179 PolarHBondContact N-O 2.88Å; A154-T180 PolarHBondContact N-OG1 3.05Å; A154-T180 CarbonylContact O-C 3.6Å; A154-T180 VanDerWaalsContact O-CA 3.26Å; A154-T180 WeakPolarHBondContact O-CA 3.48Å; A154-I181 PolarHBondContact O-N 3.11Å
155H98.8Very high98Very high113 Ų11357.6 Ų57.652%0.52333%0.325SS..EExtended strand (participates in β ladder)trans-91.9105.2167.9-169-178.3000109.2E183H155-E183 IonicContact CD2-OE1 2.75Å; H155-E183 IonicContact CE1-OE1 3.97Å; H155-E183 WeakPolarHBondContact NE2-CG 3.21Å; H155-E183 IonicContact NE2-OE1 2.97Å; H155-E183 PolarHBondContact NE2-OE1 3.48Å
156I98.8Very high98Very high2 Ų257.4 Ų57.41%0.0132%0.324CS..EExtended strand (participates in β ladder)trans-108.5112.7-172.8-60.6171.9000108.8Q131 L132 A154 M158 I169 T180 I181 I182 E183Q131-I156 HydrophobicContact CB-CD1 4.02Å; Q131-I156 HydrophobicContact CB-CG1 3.89Å; L132-I156 HydrophobicContact CD2-CD1 4Å; L132-I156 HydrophobicContact CG-CD1 4Å; A154-I156 HydrophobicContact CB-CD1 4.4Å; A154-I156 HydrophobicContact CB-CG1 4.06Å; I156-M158 HydrophobicContact CG2-CG 4.47Å; I156-I169 HydrophobicContact CD1-CG2 3.59Å; I156-I169 HydrophobicContact CG2-CD1 4.33Å; I156-T180 HydrophobicContact CD1-CG2 4.26Å; I156-I181 PolarHBondContact N-O 3.49Å; I156-I182 WeakPolarHBondContact O-CA 3.46Å; I156-E183 PolarHBondContact O-N 3.45Å
157V98.7Very high98Very high97 Ų9754.8 Ų54.859%0.58831%0.305SS*.EExtended strand (participates in β ladder)trans-96.5107.9173.6-175.40000108.9D159 E183V157-D159 PolarHBondContact O-N 2.75Å; V157-E183 HydrophobicContact CB-CB 4.47Å; V157-E183 HydrophobicContact CG1-CB 4.37Å; V157-E183 HydrophobicContact CG2-CB 4.2Å; V157-E183 HydrophobicContact CG2-CG 4.14Å
158M98.2Very high98Very high9 Ų953.7 Ų53.74%0.04430%0.298CS..  trans-73.2121.1179-61.3-175.567.300110.2L124 I156 K160 A165 T166 I169 I182 E183 N184L124-M158 HydrophobicContact CD1-CE 4.45Å; I156-M158 HydrophobicContact CG2-CG 4.47Å; M158-K160 PolarHBondContact O-N 3.07Å; M158-A165 HydrophobicContact CE-CB 3.58Å; M158-T166 PolarHBondContact SD-OG1 2.87Å; M158-I169 HydrophobicContact SD-CD1 4.28Å; M158-I182 HydrophobicContact CG-CG2 4.04Å; M158-I182 HydrophobicContact SD-CG2 3.66Å; M158-E183 PolarHBondContact N-O 2.86Å; M158-E183 VanDerWaalsContact N-O 3.07Å; M158-N184 HydrophobicContact CB-CB 4.34Å; M158-N184 WeakPolarHBondContact O-CB 3.43Å; M158-N184 PolarHBondContact O-ND2 3.07Å
159D95Very high98.1Very high128 Ų12845.7 Ų45.768%0.68426%0.256SS*.SBendtrans-66.4-22178.164.4-6.7000113.1L124 V157L124-D159 WeakPolarHBondContact CD2-OD1 3.23Å; V157-D159 PolarHBondContact O-N 2.75Å
160K95.2Very high98.1Very high134 Ų13443 Ų4358%0.58323%0.228SC*.SBendtrans-144.5138.7177.7-179.1-174.9-62.9170.30110.1L124 M158 S162L124-K160 HydrophobicContact CD1-CB 4.12Å; M158-K160 PolarHBondContact O-N 3.07Å; K160-S162 PolarHBondContact O-N 3.11Å
161V97.5Very high98.2Very high47 Ų4738.6 Ų38.629%0.28521%0.212SC..  trans-64.6125174.7-176.80000109.9N184 A186 P298V161-N184 VanDerWaalsContact CG2-OD1 3.28Å; V161-N184 WeakPolarHBondContact CG2-OD1 3.38Å; V161-A186 HydrophobicContact CG1-CB 4.05Å; V161-P298 HydrophobicContact CB-CB 4.38Å; V161-P298 HydrophobicContact CB-CG 3.98Å; V161-P298 HydrophobicContact CG1-CB 3.79Å; V161-P298 HydrophobicContact CG1-CG 3.91Å; V161-P298 HydrophobicContact CG2-CG 4.45Å
162S97.7Very high98.2Very high30 Ų3038.6 Ų38.621%0.2121%0.212CC..  trans-145.7113178.6171.70000111.4K160 G164 A165 T166K160-S162 PolarHBondContact O-N 3.11Å; S162-G164 VanDerWaalsContact C-N 3.28Å; S162-G164 PolarHBondContact O-N 3.43Å; S162-A165 PolarHBondContact O-N 3.08Å; S162-A165 PolarHBondContact OG-N 3.28Å; S162-T166 WeakPolarHBondContact O-CB 3.28Å; S162-T166 PolarHBondContact O-N 2.95Å; S162-T166 PolarHBondContact O-OG1 3.47Å; S162-T166 VanDerWaalsContact O-OG1 3.05Å
163V97.8Very high98.2Very high51 Ų5132.5 Ų32.531%0.30919%0.185SC..Hα-helixtrans-51.9-49.3175.3179.10000111A165 T166 V167 A186 E188 I191V163-A165 PolarHBondContact O-N 3.48Å; V163-T166 PolarHBondContact O-N 2.89Å; V163-V167 WeakPolarHBondContact O-CG2 3.36Å; V163-V167 PolarHBondContact O-N 3.48Å; V163-A186 HydrophobicContact CB-CB 4.39Å; V163-A186 HydrophobicContact CG2-CB 4.07Å; V163-E188 HydrophobicContact CG2-CB 4.36Å; V163-E188 VanDerWaalsContact CG2-CD 3.48Å; V163-E188 HydrophobicContact CG2-CG 3.77Å; V163-E188 WeakPolarHBondContact CG2-OE2 3.26Å; V163-I191 HydrophobicContact CG1-CD1 3.89Å; V163-I191 HydrophobicContact CG1-CG1 4.46Å
164G97.3Very high98.2Very high15 Ų1531.3 Ų31.316%0.15517%0.173CC..Hα-helixtrans-62.1-44.4-176.300000112.9W95 H125 S162 T168W95-G164 PolarHBondContact NE1-O 2.89Å; H125-G164 PolarHBondContact CE1-O 2.94Å; S162-G164 VanDerWaalsContact C-N 3.28Å; S162-G164 PolarHBondContact O-N 3.43Å; G164-T168 PolarHBondContact O-N 3.49Å; G164-T168 VanDerWaalsContact O-N 3.09Å; G164-T168 PolarHBondContact O-OG1 3.38Å
165A98.2Very high98.2Very high0 Ų030.6 Ų30.60%017%0.166CC..Hα-helixtrans-73.6-39.9-178.500000111.4L124 H125 M158 S162 V163 V167 T168 I169L124-A165 HydrophobicContact CB-CB 3.53Å; H125-A165 PolarHBondContact CE1-N 2.91Å; H125-A165 PolarHBondContact NE2-N 3.45Å; M158-A165 HydrophobicContact CE-CB 3.58Å; S162-A165 PolarHBondContact O-N 3.08Å; S162-A165 PolarHBondContact OG-N 3.28Å; V163-A165 PolarHBondContact O-N 3.48Å; A165-V167 VanDerWaalsContact C-N 3.34Å; A165-V167 PolarHBondContact O-N 2.92Å; A165-T168 PolarHBondContact O-N 3.47Å; A165-T168 VanDerWaalsContact O-N 3.08Å; A165-I169 VanDerWaalsContact O-CG1 3.25Å; A165-I169 WeakPolarHBondContact O-CG1 3.35Å; A165-I169 PolarHBondContact O-N 2.91Å
166T98.8Very high98.2Very high0 Ų025.2 Ų25.20%014%0.141CC..Hα-helixtrans-55.5-47.2172.4-610000111.3M158 S162 V163 T168 M170 A185 A186 I191 I213M158-T166 PolarHBondContact SD-OG1 2.87Å; S162-T166 WeakPolarHBondContact O-CB 3.28Å; S162-T166 PolarHBondContact O-N 2.95Å; S162-T166 PolarHBondContact O-OG1 3.47Å; S162-T166 VanDerWaalsContact O-OG1 3.05Å; V163-T166 PolarHBondContact O-N 2.89Å; T166-T168 PolarHBondContact O-N 3.43Å; T166-M170 WeakPolarHBondContact O-CB 3.44Å; T166-M170 PolarHBondContact O-N 2.79Å; T166-A185 HydrophobicContact CG2-CB 4.04Å; T166-A186 HydrophobicContact CG2-CB 4.27Å; T166-A186 WeakPolarHBondContact OG1-CB 3.32Å; T166-A186 PolarHBondContact OG1-N 3.33Å; T166-I191 HydrophobicContact CG2-CD1 4.14Å; T166-I191 HydrophobicContact CG2-CG1 4.45Å; T166-I191 HydrophobicContact CG2-CG2 4.04Å; T166-I213 HydrophobicContact CG2-CD1 3.78Å
167V98.8Very high98.2Very high2 Ų230.6 Ų30.61%0.01217%0.166CC..Hα-helixtrans-58.3-47.4174.1170.70000111.5P27 W95 V163 A165 I169 M170 C171 I191 T194P27-V167 HydrophobicContact CB-CG1 3.69Å; P27-V167 HydrophobicContact CB-CG2 4.22Å; W95-V167 HydrophobicContact CD2-CG1 4.23Å; W95-V167 HydrophobicContact CG-CG1 4.07Å; W95-V167 HydrophobicContact CZ2-CB 4.34Å; W95-V167 HydrophobicContact CZ2-CG1 4.49Å; W95-V167 HydrophobicContact CZ2-CG2 4.15Å; V163-V167 WeakPolarHBondContact O-CG2 3.36Å; V163-V167 PolarHBondContact O-N 3.48Å; A165-V167 VanDerWaalsContact C-N 3.34Å; A165-V167 PolarHBondContact O-N 2.92Å; V167-I169 PolarHBondContact O-N 3.49Å; V167-M170 PolarHBondContact O-N 2.9Å; V167-C171 WeakPolarHBondContact O-CB 3.42Å; V167-C171 PolarHBondContact O-N 2.92Å; V167-C171 PolarHBondContact O-SG 2.71Å; V167-I191 HydrophobicContact CB-CD1 4.48Å; V167-I191 HydrophobicContact CG2-CD1 3.3Å; V167-T194 HydrophobicContact CG1-CG2 4.45Å
168T98.8Very high98.2Very high1 Ų127.4 Ų27.41%0.00615%0.153CC..Hα-helixtrans-61-49.2-175.5-60.70000111.4H125 L129 G164 A165 T166 A172H125-T168 HydrophobicContact CB-CG2 4.3Å; H125-T168 PolarHBondContact CE1-OG1 3.21Å; H125-T168 PolarHBondContact ND1-OG1 3.27Å; L129-T168 HydrophobicContact CD1-CG2 4.07Å; L129-T168 HydrophobicContact CD2-CG2 4.25Å; L129-T168 HydrophobicContact CG-CG2 4.11Å; G164-T168 PolarHBondContact O-N 3.49Å; G164-T168 VanDerWaalsContact O-N 3.09Å; G164-T168 PolarHBondContact O-OG1 3.38Å; A165-T168 PolarHBondContact O-N 3.47Å; A165-T168 VanDerWaalsContact O-N 3.08Å; T166-T168 PolarHBondContact O-N 3.43Å; T168-A172 WeakPolarHBondContact O-CB 3.47Å; T168-A172 PolarHBondContact O-N 3.42Å
169I98.9Very high98.2Very high1 Ų130.1 Ų30.11%0.00517%0.17CC..Hα-helixtrans-66.3-45.7-178.9-60.8163.2000109.8L132 I156 M158 A165 V167 C171 A172 A173 T180 I182L132-I169 HydrophobicContact CD1-CG2 4.29Å; I156-I169 HydrophobicContact CD1-CG2 3.59Å; I156-I169 HydrophobicContact CG2-CD1 4.33Å; M158-I169 HydrophobicContact SD-CD1 4.28Å; A165-I169 VanDerWaalsContact O-CG1 3.25Å; A165-I169 WeakPolarHBondContact O-CG1 3.35Å; A165-I169 PolarHBondContact O-N 2.91Å; V167-I169 PolarHBondContact O-N 3.49Å; I169-C171 PolarHBondContact O-N 2.86Å; I169-A172 PolarHBondContact O-N 3.38Å; I169-A173 WeakPolarHBondContact O-CB 3.06Å; I169-A173 PolarHBondContact O-N 2.76Å; I169-T180 HydrophobicContact CG2-CG2 4.36Å; I169-I182 HydrophobicContact CB-CD1 3.88Å; I169-I182 HydrophobicContact CG2-CD1 3.55Å; I169-I182 HydrophobicContact CG2-CG1 3.78Å
170M98.9Very high98.4Very high0 Ų024 Ų240%014%0.137CC..Hα-helixtrans-60.4-46.4178.9-179.4174.567.600112.1T166 V167 T174 I182 I191 T194 A195 L198 I205 I213 I215T166-M170 WeakPolarHBondContact O-CB 3.44Å; T166-M170 PolarHBondContact O-N 2.79Å; V167-M170 PolarHBondContact O-N 2.9Å; M170-T174 VanDerWaalsContact O-CG2 3.29Å; M170-T174 WeakPolarHBondContact O-CG2 3.08Å; M170-T174 PolarHBondContact O-N 3.3Å; M170-I182 HydrophobicContact CB-CD1 4.06Å; M170-I191 HydrophobicContact CE-CG2 4.13Å; M170-I191 HydrophobicContact SD-CG2 4.38Å; M170-T194 HydrophobicContact CE-CG2 3.98Å; M170-A195 HydrophobicContact CE-CB 4.09Å; M170-A195 HydrophobicContact SD-CB 3.75Å; M170-L198 HydrophobicContact CE-CD1 4.33Å; M170-L198 HydrophobicContact CG-CD1 4.32Å; M170-I205 HydrophobicContact CG-CD1 4.09Å; M170-I205 HydrophobicContact SD-CD1 4.41Å; M170-I205 HydrophobicContact SD-CG2 4.29Å; M170-I213 HydrophobicContact SD-CD1 4.22Å; M170-I213 HydrophobicContact SD-CG2 4.21Å; M170-I215 HydrophobicContact CG-CD1 4.44Å; M170-I215 HydrophobicContact CG-CG1 4.23Å
171C98.9Very high98.6Very high3 Ų319.2 Ų19.22%0.0212%0.118CC..Hα-helixtrans-62.9-48.4178-67.50000111.1L34 P99 V167 I169 A173 T174L34-C171 HydrophobicContact CD1-CB 4.13Å; P99-C171 HydrophobicContact CG-CB 4.33Å; V167-C171 WeakPolarHBondContact O-CB 3.42Å; V167-C171 PolarHBondContact O-N 2.92Å; V167-C171 PolarHBondContact O-SG 2.71Å; I169-C171 PolarHBondContact O-N 2.86Å; C171-A173 VanDerWaalsContact C-N 3.33Å; C171-A173 PolarHBondContact O-N 2.84Å; C171-T174 WeakPolarHBondContact O-CB 3.26Å; C171-T174 WeakPolarHBondContact O-CG2 3.42Å; C171-T174 PolarHBondContact O-N 3.42Å; C171-T174 PolarHBondContact O-OG1 3.22Å
172A98.9Very high98.6Very high0 Ų017 Ų170%010%0.104CC..Hα-helixtrans-64.7-37.4-178.500000112.6A102 L129 L132 L151 T168 I169 T174 L175A102-A172 HydrophobicContact CB-CB 4.18Å; A102-A172 WeakPolarHBondContact CB-O 3.2Å; L129-A172 HydrophobicContact CD2-CB 3.57Å; L132-A172 HydrophobicContact CD1-CB 4.01Å; L151-A172 HydrophobicContact CD1-CB 3.86Å; T168-A172 WeakPolarHBondContact O-CB 3.47Å; T168-A172 PolarHBondContact O-N 3.42Å; I169-A172 PolarHBondContact O-N 3.38Å; A172-T174 PolarHBondContact O-N 2.95Å; A172-L175 PolarHBondContact O-N 3.07Å
173A98.9Very high98.7Very high0 Ų017.5 Ų17.50%010%0.103CC..Hα-helixtrans-64.6-21178.500000113.8L132 I169 C171 L175 A176 T180 I215L132-A173 HydrophobicContact CD1-CB 4.43Å; I169-A173 WeakPolarHBondContact O-CB 3.06Å; I169-A173 PolarHBondContact O-N 2.76Å; C171-A173 VanDerWaalsContact C-N 3.33Å; C171-A173 PolarHBondContact O-N 2.84Å; A173-L175 PolarHBondContact O-N 3.42Å; A173-A176 PolarHBondContact O-N 3.01Å; A173-T180 HydrophobicContact CB-CG2 3.88Å; A173-T180 WeakPolarHBondContact CB-OG1 3.42Å; A173-I215 HydrophobicContact CB-CB 3.92Å; A173-I215 HydrophobicContact CB-CD1 4.25Å; A173-I215 HydrophobicContact CB-CG1 4.2Å; A173-I215 HydrophobicContact CB-CG2 3.89Å
174T99Very high98.7Very high1 Ų118 Ų181%0.00610%0.104CC..THydrogen-bonded Turntrans-61.1-27.5-179.564.50000113.4M170 C171 A172 L198 A203 I205 I215 G217 V218M170-T174 VanDerWaalsContact O-CG2 3.29Å; M170-T174 WeakPolarHBondContact O-CG2 3.08Å; M170-T174 PolarHBondContact O-N 3.3Å; C171-T174 WeakPolarHBondContact O-CB 3.26Å; C171-T174 WeakPolarHBondContact O-CG2 3.42Å; C171-T174 PolarHBondContact O-N 3.42Å; C171-T174 PolarHBondContact O-OG1 3.22Å; A172-T174 PolarHBondContact O-N 2.95Å; T174-L198 HydrophobicContact CG2-CB 4.43Å; T174-L198 HydrophobicContact CG2-CD1 3.93Å; T174-L198 HydrophobicContact CG2-CD2 4.05Å; T174-L198 HydrophobicContact CG2-CG 4.37Å; T174-A203 HydrophobicContact CG2-CB 3.91Å; T174-I205 HydrophobicContact CG2-CD1 4.08Å; T174-I215 HydrophobicContact CG2-CG2 4.33Å; T174-G217 CarbonylContact O-C 3.52Å; T174-G217 WeakPolarHBondContact O-CA 3.25Å; T174-V218 WeakPolarHBondContact O-CG2 3.19Å; T174-V218 PolarHBondContact O-N 3.46Å
175L98.9Very high98.8Very high8 Ų817.5 Ų17.54%0.04210%0.098CC..THydrogen-bonded Turntrans-1101.1177.7-60-177.6000113.3L34 A102 R103 R150 A172 A173 V218 L221L34-L175 HydrophobicContact CD2-CD1 3.69Å; L34-L175 HydrophobicContact CD2-CG 4.14Å; A102-L175 HydrophobicContact CB-CB 4.35Å; R103-L175 HydrophobicContact CB-CD1 3.88Å; R103-L175 HydrophobicContact CG-CD1 4.29Å; R150-L175 PolarHBondContact NE-O 3Å; R150-L175 PolarHBondContact NH2-O 2.9Å; A172-L175 PolarHBondContact O-N 3.07Å; A173-L175 PolarHBondContact O-N 3.42Å; L175-V218 WeakPolarHBondContact CA-O 3.42Å; L175-V218 HydrophobicContact CD2-CG2 4.36Å; L175-L221 HydrophobicContact CD2-CG 4.05Å
176A98.8Very high98.8Very high0 Ų017.5 Ų17.50%010%0.098CC..SBendtrans-66.5156.9177.100000111.7R150 L151 A173 G217R150-A176 PolarHBondContact NH2-O 3.1Å; L151-A176 HydrophobicContact CB-CB 3.87Å; L151-A176 CarbonylContact O-C 3.57Å; L151-A176 VanDerWaalsContact O-CA 3.23Å; L151-A176 WeakPolarHBondContact O-CA 3.4Å; A173-A176 PolarHBondContact O-N 3.01Å; A176-G217 VanDerWaalsContact O-CA 3.23Å; A176-G217 WeakPolarHBondContact O-CA 3.43Å
177E98.8Very high98.8Very high116 Ų11622.1 Ų22.154%0.54212%0.116SC..BIsolated β-bridgetrans-81.8116171.5-177.3177.5-127.700110L151 G153L151-E177 PolarHBondContact O-N 3.31Å; G153-E177 PolarHBondContact N-O 2.7Å
178G98.6Very high98.8Very high29 Ų2923 Ų2330%0.29912%0.119SC..SBendtrans94.9-162.3178.400000114.1G217G178-G217 PolarHBondContact O-N 3.06Å
179T98.9Very high98.8Very high66 Ų6623.4 Ų23.441%0.40512%0.122SC..EExtended strand (participates in β ladder)trans-96.7130.5-174.6-40.80000111.5G153 A154 I181 V214 I215 E216G153-T179 CarbonylContact C-O 3.59Å; G153-T179 VanDerWaalsContact C-O 3.31Å; G153-T179 WeakPolarHBondContact CA-O 3.47Å; A154-T179 PolarHBondContact N-O 2.88Å; T179-I181 HydrophobicContact CG2-CG1 4.42Å; T179-V214 HydrophobicContact CG2-CG1 3.6Å; T179-I215 CarbonylContact C-O 3.55Å; T179-I215 WeakPolarHBondContact CA-O 3.11Å; T179-E216 WeakPolarHBondContact CB-OE2 3.46Å; T179-E216 PolarHBondContact OG1-OE2 2.78Å
180T98.9Very high98.8Very high0 Ų023.6 Ų23.60%012%0.123CC..EExtended strand (participates in β ladder)trans-102.7136.1165.5-64.70000110.2L132 G153 A154 I156 I169 A173 I182 V214 I215L132-T180 HydrophobicContact CD2-CG2 4.05Å; L132-T180 VanDerWaalsContact CD2-OG1 3.28Å; L132-T180 WeakPolarHBondContact CD2-OG1 3.5Å; G153-T180 WeakPolarHBondContact CA-OG1 3.43Å; A154-T180 PolarHBondContact N-OG1 3.05Å; A154-T180 CarbonylContact O-C 3.6Å; A154-T180 VanDerWaalsContact O-CA 3.26Å; A154-T180 WeakPolarHBondContact O-CA 3.48Å; I156-T180 HydrophobicContact CD1-CG2 4.26Å; I169-T180 HydrophobicContact CG2-CG2 4.36Å; A173-T180 HydrophobicContact CB-CG2 3.88Å; A173-T180 WeakPolarHBondContact CB-OG1 3.42Å; T180-I182 HydrophobicContact CG2-CG1 4.04Å; T180-V214 CarbonylContact O-C 3.45Å; T180-V214 WeakPolarHBondContact O-CA 3.45Å; T180-I215 HydrophobicContact CG2-CD1 4.23Å; T180-I215 PolarHBondContact N-O 2.85Å; T180-I215 PolarHBondContact O-N 3.19Å
181I98.9Very high98.8Very high34 Ų3423.6 Ų23.617%0.17412%0.123CC..EExtended strand (participates in β ladder)trans-121.3120171.8-61.1159.8000107.5A154 I156 T179 E183 R212 I213 V214A154-I181 PolarHBondContact O-N 3.11Å; I156-I181 PolarHBondContact N-O 3.49Å; T179-I181 HydrophobicContact CG2-CG1 4.42Å; I181-E183 HydrophobicContact CG2-CG 4.22Å; I181-E183 WeakPolarHBondContact CG2-OE1 3.25Å; I181-R212 VanDerWaalsContact CD1-NH2 3.28Å; I181-R212 HydrophobicContact CG2-CG 4.07Å; I181-I213 CarbonylContact C-O 3.45Å; I181-I213 WeakPolarHBondContact CA-O 3.41Å; I181-V214 HydrophobicContact CG1-CG1 4.38Å; I181-V214 HydrophobicContact CG1-CG2 4.35Å
182I98.9Very high98.8Very high0 Ų025.5 Ų25.50%013%0.134CC..EExtended strand (participates in β ladder)trans-102.3109.5174.9-47.5174.9000107.5I156 M158 I169 M170 T180 A185 R212 I213 I215I156-I182 WeakPolarHBondContact O-CA 3.46Å; M158-I182 HydrophobicContact CG-CG2 4.04Å; M158-I182 HydrophobicContact SD-CG2 3.66Å; I169-I182 HydrophobicContact CB-CD1 3.88Å; I169-I182 HydrophobicContact CG2-CD1 3.55Å; I169-I182 HydrophobicContact CG2-CG1 3.78Å; M170-I182 HydrophobicContact CB-CD1 4.06Å; T180-I182 HydrophobicContact CG2-CG1 4.04Å; I182-A185 HydrophobicContact CB-CB 4.43Å; I182-A185 HydrophobicContact CG2-CB 4.02Å; I182-R212 WeakPolarHBondContact O-CA 3.48Å; I182-I213 HydrophobicContact CB-CB 4.4Å; I182-I213 PolarHBondContact N-O 2.92Å; I182-I213 PolarHBondContact O-N 3.28Å; I182-I215 HydrophobicContact CD1-CD1 3.8Å; I182-I215 HydrophobicContact CG1-CD1 4.01Å
183E98.8Very high98.8Very high41 Ų4126 Ų2619%0.19214%0.137CC..EExtended strand (participates in β ladder)trans-93151.4172.7-52.8-70.3175.500110.4H155 I156 V157 M158 I181 A185 D211 R212H155-E183 IonicContact CD2-OE1 2.75Å; H155-E183 IonicContact CE1-OE1 3.97Å; H155-E183 WeakPolarHBondContact NE2-CG 3.21Å; H155-E183 IonicContact NE2-OE1 2.97Å; H155-E183 PolarHBondContact NE2-OE1 3.48Å; I156-E183 PolarHBondContact O-N 3.45Å; V157-E183 HydrophobicContact CB-CB 4.47Å; V157-E183 HydrophobicContact CG1-CB 4.37Å; V157-E183 HydrophobicContact CG2-CB 4.2Å; V157-E183 HydrophobicContact CG2-CG 4.14Å; M158-E183 PolarHBondContact N-O 2.86Å; M158-E183 VanDerWaalsContact N-O 3.07Å; I181-E183 HydrophobicContact CG2-CG 4.22Å; I181-E183 WeakPolarHBondContact CG2-OE1 3.25Å; E183-A185 PolarHBondContact O-N 2.92Å; E183-D211 CarbonylContact C-O 3.52Å; E183-R212 WeakPolarHBondContact OE1-CD 3.47Å; E183-R212 IonicContact OE1-NE 2.73Å; E183-R212 PolarHBondContact OE1-NE 2.84Å; E183-R212 VanDerWaalsContact OE2-CD 3.29Å; E183-R212 WeakPolarHBondContact OE2-CD 3.36Å; E183-R212 VanDerWaalsContact OE2-CG 3.27Å; E183-R212 WeakPolarHBondContact OE2-CG 3.49Å; E183-R212 IonicContact OE2-NE 3.77Å
184N98.4Very high98.8Very high62 Ų6226 Ų2633%0.33214%0.137SC..SBendtrans57.936-172.9-160.928.1000112M158 V161 D211M158-N184 HydrophobicContact CB-CB 4.34Å; M158-N184 WeakPolarHBondContact O-CB 3.43Å; M158-N184 PolarHBondContact O-ND2 3.07Å; V161-N184 VanDerWaalsContact CG2-OD1 3.28Å; V161-N184 WeakPolarHBondContact CG2-OD1 3.38Å; N184-D211 WeakPolarHBondContact CA-O 3.32Å; N184-D211 PolarHBondContact N-O 2.85Å
185A98.8Very high98.8Very high3 Ų326 Ų263%0.02514%0.137CC..  trans-67147.5179.400000111.6T166 I182 E183 D211 I213T166-A185 HydrophobicContact CG2-CB 4.04Å; I182-A185 HydrophobicContact CB-CB 4.43Å; I182-A185 HydrophobicContact CG2-CB 4.02Å; E183-A185 PolarHBondContact O-N 2.92Å; A185-D211 PolarHBondContact N-O 3.46Å; A185-I213 HydrophobicContact CB-CD1 3.82Å; A185-I213 HydrophobicContact CB-CG1 3.78Å
186A98.7Very high98.8Very high0 Ų028.2 Ų28.20%015%0.149CC..  trans-64.3140.6170.200000110.8V161 V163 T166 E188 I191V161-A186 HydrophobicContact CG1-CB 4.05Å; V163-A186 HydrophobicContact CB-CB 4.39Å; V163-A186 HydrophobicContact CG2-CB 4.07Å; T166-A186 HydrophobicContact CG2-CB 4.27Å; T166-A186 WeakPolarHBondContact OG1-CB 3.32Å; T166-A186 PolarHBondContact OG1-N 3.33Å; A186-E188 WeakPolarHBondContact CB-OE2 3.42Å; A186-I191 HydrophobicContact CB-CD1 4.47Å; A186-I191 HydrophobicContact CB-CG1 4.11Å
187R98.9Very high98.8Very high98 Ų9828.2 Ų28.237%0.3715%0.149SC..  trans-1114.7-169.7-66174.661.3-166-3113.3G209 T210 H299R187-G209 PolarHBondContact NE-O 2.79Å; R187-T210 WeakPolarHBondContact CG-O 3.42Å; R187-H299 PolarHBondContact O-CD2 3.26Å
188E98.8Very high98.8Very high19 Ų1922.7 Ų22.79%0.08912%0.123CC..  trans-54.5144.2-176.9-8366.4-162.100111.8V163 A186 E190 I191 V192 H299V163-E188 HydrophobicContact CG2-CB 4.36Å; V163-E188 VanDerWaalsContact CG2-CD 3.48Å; V163-E188 HydrophobicContact CG2-CG 3.77Å; V163-E188 WeakPolarHBondContact CG2-OE2 3.26Å; A186-E188 WeakPolarHBondContact CB-OE2 3.42Å; E188-E190 PolarHBondContact O-N 3.37Å; E188-I191 HydrophobicContact CB-CG1 4.24Å; E188-I191 WeakPolarHBondContact O-CA 3.28Å; E188-I191 VanDerWaalsContact O-CB 3.29Å; E188-I191 WeakPolarHBondContact O-CB 3.47Å; E188-I191 PolarHBondContact O-N 3.09Å; E188-V192 PolarHBondContact O-N 3.17Å; E188-H299 HydrophobicContact CB-CB 4.4Å; E188-H299 HydrophobicContact CG-CB 3.84Å; E188-H299 WeakPolarHBondContact OE1-CB 3.38Å; E188-H299 PolarHBondContact OE1-N 3.4Å
189P98.8Very high98.9Very high11 Ų1124.3 Ų24.37%0.07113%0.125CC..Hα-helixtrans-53.4-30.6176.6-29.237.2000113.2I191 V192 D193 L229 T258P189-I191 VanDerWaalsContact C-N 3.32Å; P189-I191 PolarHBondContact O-N 3.11Å; P189-V192 WeakPolarHBondContact O-CB 3.46Å; P189-V192 PolarHBondContact O-N 3.01Å; P189-D193 PolarHBondContact O-N 3.29Å; P189-L229 HydrophobicContact CB-CD1 3.66Å; P189-T258 HydrophobicContact CB-CG2 3.78Å; P189-T258 HydrophobicContact CG-CG2 3.78Å
190E98.8Very high98.8Very high5 Ų524.2 Ų24.22%0.02312%0.124CC..Hα-helixtrans-68.8-26.7176.6-61.280.7-16100113.5N23 A24 E188 T194 R232N23-E190 HydrophobicContact CB-CG 3.91Å; A24-E190 HydrophobicContact CB-CB 4.04Å; A24-E190 HydrophobicContact CB-CG 3.89Å; E188-E190 PolarHBondContact O-N 3.37Å; E190-T194 WeakPolarHBondContact O-CB 3.29Å; E190-T194 PolarHBondContact O-N 2.91Å; E190-T194 PolarHBondContact O-OG1 2.79Å; E190-R232 WeakPolarHBondContact OE1-CD 3.19Å; E190-R232 IonicContact OE1-CZ 2.76Å; E190-R232 IonicContact OE1-NE 3.32Å; E190-R232 PolarHBondContact OE1-NE 3.46Å; E190-R232 IonicContact OE1-NH2 3.98Å; E190-R232 IonicContact OE2-CZ 3.17Å; E190-R232 IonicContact OE2-NE 3.6Å; E190-R232 PolarHBondContact OE2-NE 3.02Å; E190-R232 IonicContact OE2-NH2 3.8Å; E190-R232 PolarHBondContact OE2-NH2 3.48Å
191I98.9Very high98.8Very high0 Ų024.4 Ų24.40%013%0.125CC..Hα-helixtrans-68.4-45.3169.9-60-56.9000109.8V163 T166 V167 M170 A186 E188 P189 D193 T194 A195 I213V163-I191 HydrophobicContact CG1-CD1 3.89Å; V163-I191 HydrophobicContact CG1-CG1 4.46Å; T166-I191 HydrophobicContact CG2-CD1 4.14Å; T166-I191 HydrophobicContact CG2-CG1 4.45Å; T166-I191 HydrophobicContact CG2-CG2 4.04Å; V167-I191 HydrophobicContact CB-CD1 4.48Å; V167-I191 HydrophobicContact CG2-CD1 3.3Å; M170-I191 HydrophobicContact CE-CG2 4.13Å; M170-I191 HydrophobicContact SD-CG2 4.38Å; A186-I191 HydrophobicContact CB-CD1 4.47Å; A186-I191 HydrophobicContact CB-CG1 4.11Å; E188-I191 HydrophobicContact CB-CG1 4.24Å; E188-I191 WeakPolarHBondContact O-CA 3.28Å; E188-I191 VanDerWaalsContact O-CB 3.29Å; E188-I191 WeakPolarHBondContact O-CB 3.47Å; E188-I191 PolarHBondContact O-N 3.09Å; P189-I191 VanDerWaalsContact C-N 3.32Å; P189-I191 PolarHBondContact O-N 3.11Å; I191-D193 VanDerWaalsContact C-N 3.32Å; I191-D193 PolarHBondContact O-N 3.02Å; I191-T194 PolarHBondContact O-N 2.71Å; I191-A195 WeakPolarHBondContact O-CB 3.11Å; I191-A195 PolarHBondContact O-N 2.93Å; I191-I213 HydrophobicContact CG2-CD1 3.75Å
192V98.9Very high98.8Very high42 Ų4225 Ų2526%0.25514%0.139SC..Hα-helixtrans-58.9-46.8177.2-1800000110.4E188 P189 T194 A195 N196 Q208E188-V192 PolarHBondContact O-N 3.17Å; P189-V192 WeakPolarHBondContact O-CB 3.46Å; P189-V192 PolarHBondContact O-N 3.01Å; V192-T194 PolarHBondContact O-N 2.99Å; V192-A195 PolarHBondContact O-N 2.9Å; V192-N196 WeakPolarHBondContact O-CB 3.08Å; V192-N196 PolarHBondContact O-N 3.32Å; V192-N196 PolarHBondContact O-ND2 3.04Å; V192-Q208 HydrophobicContact CB-CG 4.38Å; V192-Q208 HydrophobicContact CG1-CG 4.04Å; V192-Q208 HydrophobicContact CG2-CB 4.4Å; V192-Q208 HydrophobicContact CG2-CG 4.42Å
193D98.9Very high98.8Very high11 Ų1125.3 Ų25.36%0.05914%0.141CC..Hα-helixtrans-64.2-41.1180-154.943.8000112.1A24 I28 P189 I191 N196 F197 Y226 L229A24-D193 HydrophobicContact CB-CB 4.16Å; A24-D193 WeakPolarHBondContact CB-OD2 3.49Å; I28-D193 WeakPolarHBondContact CD1-OD2 3.43Å; P189-D193 PolarHBondContact O-N 3.29Å; I191-D193 VanDerWaalsContact C-N 3.32Å; I191-D193 PolarHBondContact O-N 3.02Å; D193-N196 PolarHBondContact O-N 2.97Å; D193-F197 WeakPolarHBondContact O-CB 3.38Å; D193-F197 PolarHBondContact O-N 3.38Å; D193-Y226 PolarHBondContact O-OH 3.36Å; D193-Y226 VanDerWaalsContact OD1-CE1 3.29Å; D193-Y226 WeakPolarHBondContact OD1-CE1 3.47Å; D193-Y226 PolarHBondContact OD1-OH 2.76Å; D193-L229 HydrophobicContact CB-CD2 3.74Å; D193-L229 VanDerWaalsContact OD2-CD2 3.25Å; D193-L229 WeakPolarHBondContact OD2-CD2 3.44Å; D193-L229 PolarHBondContact OD2-N 3.37Å; D193-L229 VanDerWaalsContact OD2-N 3.11Å
194T98.9Very high98.8Very high0 Ų029.5 Ų29.50%016%0.159CC..Hα-helixtrans-65.5-40.6175.7-54.50000111.8P27 V167 M170 E190 I191 V192 F197 L198P27-T194 HydrophobicContact CB-CG2 4.23Å; P27-T194 WeakPolarHBondContact CG-OG1 3.4Å; V167-T194 HydrophobicContact CG1-CG2 4.45Å; M170-T194 HydrophobicContact CE-CG2 3.98Å; E190-T194 WeakPolarHBondContact O-CB 3.29Å; E190-T194 PolarHBondContact O-N 2.91Å; E190-T194 PolarHBondContact O-OG1 2.79Å; I191-T194 PolarHBondContact O-N 2.71Å; V192-T194 PolarHBondContact O-N 2.99Å; T194-F197 WeakPolarHBondContact O-CB 3.41Å; T194-F197 PolarHBondContact O-N 2.75Å; T194-L198 HydrophobicContact CG2-CD1 4.32Å; T194-L198 WeakPolarHBondContact O-CG 3.49Å; T194-L198 PolarHBondContact O-N 3.28Å
195A98.9Very high98.9Very high0 Ų027.3 Ų27.30%015%0.147CC..Hα-helixtrans-64.2-44.8176.400000111.7M170 I191 V192 F197 L198 I199 I205 Q208M170-A195 HydrophobicContact CE-CB 4.09Å; M170-A195 HydrophobicContact SD-CB 3.75Å; I191-A195 WeakPolarHBondContact O-CB 3.11Å; I191-A195 PolarHBondContact O-N 2.93Å; V192-A195 PolarHBondContact O-N 2.9Å; A195-F197 VanDerWaalsContact C-N 3.32Å; A195-F197 PolarHBondContact O-N 3.47Å; A195-L198 PolarHBondContact O-N 3.44Å; A195-I199 VanDerWaalsContact O-CG1 3.28Å; A195-I199 WeakPolarHBondContact O-CG1 3.34Å; A195-I199 PolarHBondContact O-N 3.1Å; A195-I205 HydrophobicContact CB-CD1 4.4Å; A195-I205 HydrophobicContact CB-CG2 4.04Å; A195-Q208 HydrophobicContact CB-CB 3.57Å; A195-Q208 HydrophobicContact CB-CG 3.66Å
196N98.9Very high98.9Very high55 Ų5530.2 Ų30.229%0.29417%0.167SC..Hα-helixtrans-65.8-35.3178.1-68.8-13.6000112V192 D193 I199 T200 Q208 Y226V192-N196 WeakPolarHBondContact O-CB 3.08Å; V192-N196 PolarHBondContact O-N 3.32Å; V192-N196 PolarHBondContact O-ND2 3.04Å; D193-N196 PolarHBondContact O-N 2.97Å; N196-I199 PolarHBondContact O-N 3.09Å; N196-T200 PolarHBondContact O-N 3.14Å; N196-T200 PolarHBondContact O-OG1 3.21Å; N196-Q208 PolarHBondContact OD1-NE2 2.9Å; N196-Y226 HydrophobicContact CB-CE2 3.95Å; N196-Y226 VanDerWaalsContact CB-OH 3.25Å; N196-Y226 WeakPolarHBondContact CB-OH 3.41Å
197F98.9Very high98.9Very high1 Ų131.5 Ų31.50%0.00418%0.181CC..Hα-helixtrans-59.8-51.8168.9168.5-107.7000111.5I28 A31 A32 V39 I41 D193 T194 A195 I199 T200 L201 Y226I28-F197 HydrophobicContact CB-CD1 4.29Å; I28-F197 HydrophobicContact CB-CG 4.39Å; I28-F197 HydrophobicContact CD1-CB 4.17Å; I28-F197 HydrophobicContact CG1-CB 3.95Å; I28-F197 HydrophobicContact CG1-CD1 4.16Å; I28-F197 HydrophobicContact CG1-CG 4.04Å; I28-F197 HydrophobicContact CG2-CB 4.45Å; I28-F197 HydrophobicContact CG2-CD1 3.88Å; I28-F197 HydrophobicContact CG2-CD2 3.79Å; I28-F197 HydrophobicContact CG2-CE1 4Å; I28-F197 HydrophobicContact CG2-CE2 3.91Å; I28-F197 HydrophobicContact CG2-CG 3.75Å; I28-F197 HydrophobicContact CG2-CZ 4.01Å; I28-F197 WeakPolarHBondContact O-CE1 3.48Å; A31-F197 HydrophobicContact CB-CD1 3.97Å; A31-F197 HydrophobicContact CB-CE1 3.69Å; A32-F197 HydrophobicContact CB-CZ 4.23Å; V39-F197 HydrophobicContact CG1-CE2 3.65Å; V39-F197 HydrophobicContact CG1-CZ 3.99Å; I41-F197 HydrophobicContact CG1-CE2 4.49Å; D193-F197 WeakPolarHBondContact O-CB 3.38Å; D193-F197 PolarHBondContact O-N 3.38Å; T194-F197 WeakPolarHBondContact O-CB 3.41Å; T194-F197 PolarHBondContact O-N 2.75Å; A195-F197 VanDerWaalsContact C-N 3.32Å; A195-F197 PolarHBondContact O-N 3.47Å; F197-I199 VanDerWaalsContact C-N 3.3Å; F197-I199 PolarHBondContact O-N 3.47Å; F197-T200 WeakPolarHBondContact O-CA 3.43Å; F197-T200 VanDerWaalsContact O-CB 3.23Å; F197-T200 WeakPolarHBondContact O-CB 3.3Å; F197-T200 PolarHBondContact O-N 3.08Å; F197-L201 HydrophobicContact CD1-CD1 4.45Å; F197-L201 HydrophobicContact CE1-CD1 3.73Å; F197-L201 HydrophobicContact CE1-CG 4.42Å; F197-L201 HydrophobicContact CE2-CD1 4.32Å; F197-L201 HydrophobicContact CE2-CD2 4.07Å; F197-L201 HydrophobicContact CE2-CG 4.32Å; F197-L201 HydrophobicContact CZ-CD1 3.67Å; F197-L201 HydrophobicContact CZ-CD2 4.17Å; F197-L201 HydrophobicContact CZ-CG 4.16Å; F197-L201 PolarHBondContact O-N 3.29Å; F197-Y226 HydrophobicContact CB-CD1 3.94Å; F197-Y226 HydrophobicContact CB-CD2 4.23Å; F197-Y226 HydrophobicContact CB-CE1 4.03Å; F197-Y226 HydrophobicContact CB-CE2 4.3Å; F197-Y226 HydrophobicContact CB-CG 4.05Å; F197-Y226 HydrophobicContact CD2-CD1 4.12Å; F197-Y226 HydrophobicContact CD2-CD2 4.47Å; F197-Y226 AromaticContact CD2-CG 3.83Å; F197-Y226 HydrophobicContact CD2-CG 3.83Å; F197-Y226 HydrophobicContact CG-CD1 4.48Å; F197-Y226 HydrophobicContact CG-CG 4.46Å
198L99Very high98.9Very high0 Ų028.8 Ų28.80%017%0.172CC..Hα-helixtrans-59.2-40.3177.9-71.9165.2000112.2A31 L34 M170 T174 T194 A195 T200 L201 G202 A203 I205 L221A31-L198 HydrophobicContact CB-CD2 4.04Å; L34-L198 HydrophobicContact CD1-CD2 3.6Å; M170-L198 HydrophobicContact CE-CD1 4.33Å; M170-L198 HydrophobicContact CG-CD1 4.32Å; T174-L198 HydrophobicContact CG2-CB 4.43Å; T174-L198 HydrophobicContact CG2-CD1 3.93Å; T174-L198 HydrophobicContact CG2-CD2 4.05Å; T174-L198 HydrophobicContact CG2-CG 4.37Å; T194-L198 HydrophobicContact CG2-CD1 4.32Å; T194-L198 WeakPolarHBondContact O-CG 3.49Å; T194-L198 PolarHBondContact O-N 3.28Å; A195-L198 PolarHBondContact O-N 3.44Å; L198-T200 VanDerWaalsContact C-N 3.29Å; L198-T200 PolarHBondContact O-N 3.14Å; L198-L201 WeakPolarHBondContact O-CB 3.5Å; L198-L201 PolarHBondContact O-N 3.39Å; L198-L201 VanDerWaalsContact O-N 3.09Å; L198-G202 PolarHBondContact O-N 2.88Å; L198-A203 HydrophobicContact CB-CB 3.93Å; L198-A203 WeakPolarHBondContact O-CB 3.49Å; L198-A203 PolarHBondContact O-N 2.99Å; L198-I205 HydrophobicContact CB-CD1 3.61Å; L198-I205 HydrophobicContact CD1-CD1 3.7Å; L198-I205 HydrophobicContact CG-CD1 4.32Å; L198-L221 HydrophobicContact CD2-CD1 3.97Å
199I98.9Very high98.8Very high63 Ų6328.9 Ų28.932%0.32318%0.178SC..Hα-helixtrans-60.6-40.1174.5-70.4163.5000111A195 N196 F197 L201 G202 A203 I205A195-I199 VanDerWaalsContact O-CG1 3.28Å; A195-I199 WeakPolarHBondContact O-CG1 3.34Å; A195-I199 PolarHBondContact O-N 3.1Å; N196-I199 PolarHBondContact O-N 3.09Å; F197-I199 VanDerWaalsContact C-N 3.3Å; F197-I199 PolarHBondContact O-N 3.47Å; I199-L201 PolarHBondContact O-N 3.42Å; I199-G202 WeakPolarHBondContact O-CA 3.28Å; I199-G202 PolarHBondContact O-N 3.22Å; I199-A203 WeakPolarHBondContact CA-O 3.45Å; I199-I205 HydrophobicContact CD1-CB 4.1Å; I199-I205 WeakPolarHBondContact CD1-O 3.44Å; I199-I205 HydrophobicContact CG1-CB 4.02Å; I199-I205 HydrophobicContact CG1-CG1 4.46Å
200T98.9Very high98.8Very high63 Ų6331.3 Ų31.339%0.38719%0.193SC..Hα-helixtrans-59.3-33.4175.3-57.50000111.6N196 F197 L198 G202 Y226N196-T200 PolarHBondContact O-N 3.14Å; N196-T200 PolarHBondContact O-OG1 3.21Å; F197-T200 WeakPolarHBondContact O-CA 3.43Å; F197-T200 VanDerWaalsContact O-CB 3.23Å; F197-T200 WeakPolarHBondContact O-CB 3.3Å; F197-T200 PolarHBondContact O-N 3.08Å; L198-T200 VanDerWaalsContact C-N 3.29Å; L198-T200 PolarHBondContact O-N 3.14Å; T200-G202 PolarHBondContact O-N 3.27Å; T200-Y226 WeakPolarHBondContact OG1-CD2 3.29Å
201L98.9Very high98.8Very high5 Ų535.5 Ų35.53%0.02622%0.215CC..THydrogen-bonded Turntrans-79-2.4174.4-49.1-177.3000113.8A35 V39 F197 L198 I199 L221 G222A35-L201 HydrophobicContact CB-CD1 4.17Å; V39-L201 HydrophobicContact CG2-CD2 3.82Å; F197-L201 HydrophobicContact CD1-CD1 4.45Å; F197-L201 HydrophobicContact CE1-CD1 3.73Å; F197-L201 HydrophobicContact CE1-CG 4.42Å; F197-L201 HydrophobicContact CE2-CD1 4.32Å; F197-L201 HydrophobicContact CE2-CD2 4.07Å; F197-L201 HydrophobicContact CE2-CG 4.32Å; F197-L201 HydrophobicContact CZ-CD1 3.67Å; F197-L201 HydrophobicContact CZ-CD2 4.17Å; F197-L201 HydrophobicContact CZ-CG 4.16Å; F197-L201 PolarHBondContact O-N 3.29Å; L198-L201 WeakPolarHBondContact O-CB 3.5Å; L198-L201 PolarHBondContact O-N 3.39Å; L198-L201 VanDerWaalsContact O-N 3.09Å; I199-L201 PolarHBondContact O-N 3.42Å; L201-L221 HydrophobicContact CB-CB 3.98Å; L201-L221 HydrophobicContact CB-CD1 4.23Å; L201-L221 HydrophobicContact CD1-CD1 4.26Å; L201-G222 PolarHBondContact O-N 3.05Å
202G98.8Very high98.8Very high45 Ų4540.2 Ų40.246%0.46423%0.233SC..THydrogen-bonded Turntrans102.57.918000000115.4L198 I199 T200L198-G202 PolarHBondContact O-N 2.88Å; I199-G202 WeakPolarHBondContact O-CA 3.28Å; I199-G202 PolarHBondContact O-N 3.22Å; T200-G202 PolarHBondContact O-N 3.27Å
203A98.8Very high98.8Very high7 Ų738.2 Ų38.26%0.05822%0.221CC..  trans-69154.4173.600000111.5T174 L198 I199 I205 L221T174-A203 HydrophobicContact CG2-CB 3.91Å; L198-A203 HydrophobicContact CB-CB 3.93Å; L198-A203 WeakPolarHBondContact O-CB 3.49Å; L198-A203 PolarHBondContact O-N 2.99Å; I199-A203 WeakPolarHBondContact CA-O 3.45Å; A203-I205 HydrophobicContact CB-CD1 4.11Å; A203-I205 HydrophobicContact CB-CG1 4.17Å; A203-L221 HydrophobicContact CB-CD1 4.46Å; A203-L221 HydrophobicContact CB-CD2 3.81Å
204K98.9Very high98.8Very high130 Ų13039.1 Ų39.157%0.56523%0.227SC*.EExtended strand (participates in β ladder)trans-109.194.2176.1-60.6177.7-177.4-175.60109.4I215 E216 V218K204-I215 WeakPolarHBondContact O-CA 3.44Å; K204-E216 HydrophobicContact CB-CB 3.93Å; K204-E216 HydrophobicContact CD-CB 4.13Å; K204-E216 HydrophobicContact CD-CG 4.12Å; K204-E216 PolarHBondContact O-N 2.82Å; K204-V218 HydrophobicContact CD-CG1 4.11Å; K204-V218 HydrophobicContact CG-CG1 4.08Å
205I98.9Very high98.8Very high15 Ų1539.1 Ų39.18%0.07723%0.227CC..EExtended strand (participates in β ladder)trans-124.1140-177.5-54.3171.7000109.2M170 T174 A195 L198 I199 A203 I213 V214 I215M170-I205 HydrophobicContact CG-CD1 4.09Å; M170-I205 HydrophobicContact SD-CD1 4.41Å; M170-I205 HydrophobicContact SD-CG2 4.29Å; T174-I205 HydrophobicContact CG2-CD1 4.08Å; A195-I205 HydrophobicContact CB-CD1 4.4Å; A195-I205 HydrophobicContact CB-CG2 4.04Å; L198-I205 HydrophobicContact CB-CD1 3.61Å; L198-I205 HydrophobicContact CD1-CD1 3.7Å; L198-I205 HydrophobicContact CG-CD1 4.32Å; I199-I205 HydrophobicContact CD1-CB 4.1Å; I199-I205 WeakPolarHBondContact CD1-O 3.44Å; I199-I205 HydrophobicContact CG1-CB 4.02Å; I199-I205 HydrophobicContact CG1-CG1 4.46Å; A203-I205 HydrophobicContact CB-CD1 4.11Å; A203-I205 HydrophobicContact CB-CG1 4.17Å; I205-I213 HydrophobicContact CG2-CG2 3.78Å; I205-V214 WeakPolarHBondContact CA-O 3.33Å; I205-I215 HydrophobicContact CG1-CG1 4.15Å; I205-I215 HydrophobicContact CG1-CG2 4.16Å; I205-I215 HydrophobicContact CG2-CG1 4.32Å
206S98.9Very high98.8Very high64 Ų6442.7 Ų42.745%0.44824%0.244SC..EExtended strand (participates in β ladder)trans-143.8157.7172.458.70000111.2Q208 I213 V214S206-Q208 VanDerWaalsContact C-OE1 3.26Å; S206-Q208 VanDerWaalsContact CA-OE1 3.27Å; S206-I213 WeakPolarHBondContact O-CA 3.42Å; S206-V214 PolarHBondContact N-O 2.83Å; S206-V214 PolarHBondContact O-N 2.92Å
207G98.7Very high98.8Very high27 Ų2740.7 Ų40.728%0.27824%0.236SC..  trans85.61.3178.300000114.7G209 T210 R212G207-G209 PolarHBondContact O-N 2.87Å; G207-T210 WeakPolarHBondContact O-CA 3.43Å; G207-T210 WeakPolarHBondContact O-CB 3.48Å; G207-T210 PolarHBondContact O-N 2.8Å; G207-T210 PolarHBondContact O-OG1 2.92Å; G207-R212 WeakPolarHBondContact CA-O 3.43Å
208Q98.8Very high98.8Very high42 Ų4241.7 Ų41.720%0.19624%0.242CC..THydrogen-bonded Turntrans-53.9132.2172.265.6-84.823.800111.2V192 A195 N196 S206 T210V192-Q208 HydrophobicContact CB-CG 4.38Å; V192-Q208 HydrophobicContact CG1-CG 4.04Å; V192-Q208 HydrophobicContact CG2-CB 4.4Å; V192-Q208 HydrophobicContact CG2-CG 4.42Å; A195-Q208 HydrophobicContact CB-CB 3.57Å; A195-Q208 HydrophobicContact CB-CG 3.66Å; N196-Q208 PolarHBondContact OD1-NE2 2.9Å; S206-Q208 VanDerWaalsContact C-OE1 3.26Å; S206-Q208 VanDerWaalsContact CA-OE1 3.27Å; Q208-T210 VanDerWaalsContact C-N 3.32Å
209G98.1Very high98.8Very high21 Ų2148.2 Ų48.222%0.21627%0.272CS..THydrogen-bonded Turntrans89.9-9.9-17200000114.4R187 G207R187-G209 PolarHBondContact NE-O 2.79Å; G207-G209 PolarHBondContact O-N 2.87Å
210T98.7Very high98.8Very high61 Ų6152.3 Ų52.337%0.37428%0.284SS..SBendtrans-103.1169.9167.5820000110.4R187 G207 Q208 R212R187-T210 WeakPolarHBondContact CG-O 3.42Å; G207-T210 WeakPolarHBondContact O-CA 3.43Å; G207-T210 WeakPolarHBondContact O-CB 3.48Å; G207-T210 PolarHBondContact O-N 2.8Å; G207-T210 PolarHBondContact O-OG1 2.92Å; Q208-T210 VanDerWaalsContact C-N 3.32Å; T210-R212 PolarHBondContact O-N 3.03Å; T210-R212 PolarHBondContact OG1-N 2.92Å; T210-R212 PolarHBondContact OG1-O 3.32Å
211D98.5Very high98.8Very high93 Ų9349.4 Ų49.450%0.49727%0.266SS..SBendtrans-74-2.1176.762.5-34.4000113.5E183 N184 A185E183-D211 CarbonylContact C-O 3.52Å; N184-D211 WeakPolarHBondContact CA-O 3.32Å; N184-D211 PolarHBondContact N-O 2.85Å; A185-D211 PolarHBondContact N-O 3.46Å
212R98.8Very high98.8Very high100 Ų10050.4 Ų50.438%0.37728%0.277SS..EExtended strand (participates in β ladder)trans-131.1109.6-179.9-174.7174.4-175.9-81.5-1.7111.7I181 I182 E183 G207 T210I181-R212 VanDerWaalsContact CD1-NH2 3.28Å; I181-R212 HydrophobicContact CG2-CG 4.07Å; I182-R212 WeakPolarHBondContact O-CA 3.48Å; E183-R212 WeakPolarHBondContact OE1-CD 3.47Å; E183-R212 IonicContact OE1-NE 2.73Å; E183-R212 PolarHBondContact OE1-NE 2.84Å; E183-R212 VanDerWaalsContact OE2-CD 3.29Å; E183-R212 WeakPolarHBondContact OE2-CD 3.36Å; E183-R212 VanDerWaalsContact OE2-CG 3.27Å; E183-R212 WeakPolarHBondContact OE2-CG 3.49Å; E183-R212 IonicContact OE2-NE 3.77Å; G207-R212 WeakPolarHBondContact CA-O 3.43Å; T210-R212 PolarHBondContact O-N 3.03Å; T210-R212 PolarHBondContact OG1-N 2.92Å; T210-R212 PolarHBondContact OG1-O 3.32Å
213I98.9Very high98.8Very high0 Ų049.4 Ų49.40%027%0.267CS..EExtended strand (participates in β ladder)trans-105.6130.5177-56.4179.3000109.5T166 M170 I181 I182 A185 I191 I205 S206 I215T166-I213 HydrophobicContact CG2-CD1 3.78Å; M170-I213 HydrophobicContact SD-CD1 4.22Å; M170-I213 HydrophobicContact SD-CG2 4.21Å; I181-I213 CarbonylContact C-O 3.45Å; I181-I213 WeakPolarHBondContact CA-O 3.41Å; I182-I213 HydrophobicContact CB-CB 4.4Å; I182-I213 PolarHBondContact N-O 2.92Å; I182-I213 PolarHBondContact O-N 3.28Å; A185-I213 HydrophobicContact CB-CD1 3.82Å; A185-I213 HydrophobicContact CB-CG1 3.78Å; I191-I213 HydrophobicContact CG2-CD1 3.75Å; I205-I213 HydrophobicContact CG2-CG2 3.78Å; S206-I213 WeakPolarHBondContact O-CA 3.42Å; I213-I215 HydrophobicContact CB-CD1 4.48Å; I213-I215 HydrophobicContact CG2-CD1 3.73Å; I213-I215 HydrophobicContact CG2-CG1 4.21Å
214V98.9Very high98.8Very high29 Ų2950.1 Ų50.118%0.17628%0.275CS..EExtended strand (participates in β ladder)trans-112.8128.9176.2-1730000109.4T179 T180 I181 I205 S206T179-V214 HydrophobicContact CG2-CG1 3.6Å; T180-V214 CarbonylContact O-C 3.45Å; T180-V214 WeakPolarHBondContact O-CA 3.45Å; I181-V214 HydrophobicContact CG1-CG1 4.38Å; I181-V214 HydrophobicContact CG1-CG2 4.35Å; I205-V214 WeakPolarHBondContact CA-O 3.33Å; S206-V214 PolarHBondContact N-O 2.83Å; S206-V214 PolarHBondContact O-N 2.92Å
215I98.9Very high98.8Very high0 Ų047.9 Ų47.90%027%0.272CS..EExtended strand (participates in β ladder)trans-123.8120.1178.4-52.391.4000108.4M170 A173 T174 T179 T180 I182 K204 I205 I213M170-I215 HydrophobicContact CG-CD1 4.44Å; M170-I215 HydrophobicContact CG-CG1 4.23Å; A173-I215 HydrophobicContact CB-CB 3.92Å; A173-I215 HydrophobicContact CB-CD1 4.25Å; A173-I215 HydrophobicContact CB-CG1 4.2Å; A173-I215 HydrophobicContact CB-CG2 3.89Å; T174-I215 HydrophobicContact CG2-CG2 4.33Å; T179-I215 CarbonylContact C-O 3.55Å; T179-I215 WeakPolarHBondContact CA-O 3.11Å; T180-I215 HydrophobicContact CG2-CD1 4.23Å; T180-I215 PolarHBondContact N-O 2.85Å; T180-I215 PolarHBondContact O-N 3.19Å; I182-I215 HydrophobicContact CD1-CD1 3.8Å; I182-I215 HydrophobicContact CG1-CD1 4.01Å; K204-I215 WeakPolarHBondContact O-CA 3.44Å; I205-I215 HydrophobicContact CG1-CG1 4.15Å; I205-I215 HydrophobicContact CG1-CG2 4.16Å; I205-I215 HydrophobicContact CG2-CG1 4.32Å; I213-I215 HydrophobicContact CB-CD1 4.48Å; I213-I215 HydrophobicContact CG2-CD1 3.73Å; I213-I215 HydrophobicContact CG2-CG1 4.21Å
216E98.9Very high98.7Very high76 Ų7648.7 Ų48.736%0.35527%0.274SS..EExtended strand (participates in β ladder)trans-96.3110.5168.6-178.563.5-158.400108.3T179 K204T179-E216 WeakPolarHBondContact CB-OE2 3.46Å; T179-E216 PolarHBondContact OG1-OE2 2.78Å; K204-E216 HydrophobicContact CB-CB 3.93Å; K204-E216 HydrophobicContact CD-CB 4.13Å; K204-E216 HydrophobicContact CD-CG 4.12Å; K204-E216 PolarHBondContact O-N 2.82Å
217G98.8Very high98.7Very high12 Ų1251.7 Ų51.712%0.12428%0.276CS..  trans-68.4141.5-173.400000112.9T174 A176 G178T174-G217 CarbonylContact O-C 3.52Å; T174-G217 WeakPolarHBondContact O-CA 3.25Å; A176-G217 VanDerWaalsContact O-CA 3.23Å; A176-G217 WeakPolarHBondContact O-CA 3.43Å; G178-G217 PolarHBondContact O-N 3.06Å
218V98.9Very high98.7Very high22 Ų2250.5 Ų50.513%0.13326%0.263CS..  trans-113.3166.3-179.2-620000110.8R150 T174 L175 K204 R220 L221R150-V218 PolarHBondContact NH2-O 3.39Å; T174-V218 WeakPolarHBondContact O-CG2 3.19Å; T174-V218 PolarHBondContact O-N 3.46Å; L175-V218 WeakPolarHBondContact CA-O 3.42Å; L175-V218 HydrophobicContact CD2-CG2 4.36Å; K204-V218 HydrophobicContact CD-CG1 4.11Å; K204-V218 HydrophobicContact CG-CG1 4.08Å; V218-R220 WeakPolarHBondContact CG2-O 3.31Å; V218-L221 HydrophobicContact CG2-CD2 3.53Å
219E98.6Very high98.7Very high138 Ų13849 Ų4965%0.64526%0.257SS*.SBendtrans-66.3-43.3-178.6-175.2-178.6-134.900112.3
220R98.6Very high98.8Very high149 Ų14949 Ų4956%0.56225%0.253SS*.  trans-153.7158.6-179.869-169.7107.798.27.1111E36 V218E36-R220 VanDerWaalsContact OE1-CB 3.26Å; E36-R220 WeakPolarHBondContact OE1-CB 3.27Å; V218-R220 WeakPolarHBondContact CG2-O 3.31Å
221L98.9Very high98.8Very high1 Ų146.4 Ų46.41%0.00524%0.236CC..BIsolated β-bridgetrans-103.7140.8169.7-61.9-171.3000110.4L34 E36 L175 L198 L201 A203 V218L34-L221 HydrophobicContact CB-CD1 3.78Å; L34-L221 HydrophobicContact CB-CG 4.5Å; L34-L221 HydrophobicContact CD1-CD1 4.11Å; E36-L221 WeakPolarHBondContact CB-O 3.45Å; E36-L221 PolarHBondContact N-O 3.07Å; L175-L221 HydrophobicContact CD2-CG 4.05Å; L198-L221 HydrophobicContact CD2-CD1 3.97Å; L201-L221 HydrophobicContact CB-CB 3.98Å; L201-L221 HydrophobicContact CB-CD1 4.23Å; L201-L221 HydrophobicContact CD1-CD1 4.26Å; A203-L221 HydrophobicContact CB-CD1 4.46Å; A203-L221 HydrophobicContact CB-CD2 3.81Å; V218-L221 HydrophobicContact CG2-CD2 3.53Å
222G98.7Very high98.8Very high26 Ų2642.7 Ų42.727%0.26822%0.215SC..  trans-82.8-142.4173.500000112A35 L201A35-G222 WeakPolarHBondContact CA-O 3.45Å; A35-G222 VanDerWaalsContact CB-O 3.29Å; A35-G222 WeakPolarHBondContact CB-O 3.43Å; L201-G222 PolarHBondContact O-N 3.05Å
223G98.6Very high98.8Very high24 Ų2438 Ų3825%0.24720%0.198CC..  trans-128.6-176.5-177.500000109.8P38P38-G223 WeakPolarHBondContact O-CA 3.28Å
224G98.6Very high98.8Very high22 Ų2238 Ų3823%0.22720%0.198CC..EExtended strand (participates in β ladder)trans168.3-179.8179.500000114.1P38 V39 E40P38-G224 PolarHBondContact O-N 3.47Å; V39-G224 WeakPolarHBondContact CA-O 3.41Å; E40-G224 PolarHBondContact N-O 3.03Å
225V98.8Very high98.8Very high84 Ų8436.7 Ų36.751%0.50919%0.19SC..EExtended strand (participates in β ladder)trans-114.9126176.2-175.70000108E40 Q42E40-V225 HydrophobicContact CB-CG1 4.25Å; E40-V225 HydrophobicContact CB-CG2 4.2Å; E40-V225 HydrophobicContact CG-CG1 4.34Å; E40-V225 WeakPolarHBondContact O-CA 3.5Å; Q42-V225 HydrophobicContact CG-CG1 4.21Å
226Y98.9Very high98.8Very high31 Ų3136.7 Ų36.712%0.12219%0.19CC..EExtended strand (participates in β ladder)trans-138.3145.4-178.3-165.4-94.4000111.3I28 E40 I41 Q42 D193 N196 F197 T200I28-Y226 HydrophobicContact CD1-CD1 4.13Å; I28-Y226 HydrophobicContact CD1-CE1 3.94Å; E40-Y226 PolarHBondContact O-N 2.91Å; I41-Y226 CarbonylContact C-O 3.55Å; I41-Y226 WeakPolarHBondContact CA-O 3.48Å; Q42-Y226 PolarHBondContact N-O 2.89Å; D193-Y226 PolarHBondContact O-OH 3.36Å; D193-Y226 VanDerWaalsContact OD1-CE1 3.29Å; D193-Y226 WeakPolarHBondContact OD1-CE1 3.47Å; D193-Y226 PolarHBondContact OD1-OH 2.76Å; N196-Y226 HydrophobicContact CB-CE2 3.95Å; N196-Y226 VanDerWaalsContact CB-OH 3.25Å; N196-Y226 WeakPolarHBondContact CB-OH 3.41Å; F197-Y226 HydrophobicContact CB-CD1 3.94Å; F197-Y226 HydrophobicContact CB-CD2 4.23Å; F197-Y226 HydrophobicContact CB-CE1 4.03Å; F197-Y226 HydrophobicContact CB-CE2 4.3Å; F197-Y226 HydrophobicContact CB-CG 4.05Å; F197-Y226 HydrophobicContact CD2-CD1 4.12Å; F197-Y226 HydrophobicContact CD2-CD2 4.47Å; F197-Y226 AromaticContact CD2-CG 3.83Å; F197-Y226 HydrophobicContact CD2-CG 3.83Å; F197-Y226 HydrophobicContact CG-CD1 4.48Å; F197-Y226 HydrophobicContact CG-CG 4.46Å; T200-Y226 WeakPolarHBondContact OG1-CD2 3.29Å
227R98.8Very high98.8Very high128 Ų12833.1 Ų33.148%0.48317%0.173SC..EExtended strand (participates in β ladder)trans-113.3121.6179.3-178.4-179.4175.679.95.3110.1Q42 N43Q42-R227 HydrophobicContact CB-CB 4.06Å; Q42-R227 HydrophobicContact CB-CG 4.15Å; N43-R227 HydrophobicContact CB-CG 3.83Å
228V98.8Very high98.8Very high1 Ų132.7 Ų32.71%0.00617%0.168CC..PPolyproline II helixtrans-63.7135.6177.4-178.80000110.5A21 A24 A25 I28 I41 Q42 N43 V44A21-V228 HydrophobicContact CB-CG1 4.39Å; A24-V228 HydrophobicContact CB-CG1 3.93Å; A25-V228 HydrophobicContact CB-CG1 4.22Å; A25-V228 HydrophobicContact CB-CG2 4.25Å; I28-V228 HydrophobicContact CD1-CG2 4.25Å; I41-V228 HydrophobicContact CG2-CG2 3.62Å; Q42-V228 PolarHBondContact O-N 3.14Å; N43-V228 HydrophobicContact CB-CB 4.5Å; N43-V228 PolarHBondContact ND2-O 2.91Å; V44-V228 HydrophobicContact CG2-CG2 4.2Å
229L98.8Very high98.8Very high12 Ų1231.6 Ų31.66%0.06316%0.161CC..PPolyproline II helixtrans-62.3160.3176.890.6167000112.9G20 A21 A24 P189 D193 T258G20-L229 CarbonylContact C-O 3.55Å; G20-L229 WeakPolarHBondContact CA-O 3.3Å; A21-L229 HydrophobicContact CB-CD2 3.59Å; A21-L229 HydrophobicContact CB-CG 4.28Å; A21-L229 PolarHBondContact N-O 3.02Å; A24-L229 HydrophobicContact CB-CD2 3.24Å; P189-L229 HydrophobicContact CB-CD1 3.66Å; D193-L229 HydrophobicContact CB-CD2 3.74Å; D193-L229 VanDerWaalsContact OD2-CD2 3.25Å; D193-L229 WeakPolarHBondContact OD2-CD2 3.44Å; D193-L229 PolarHBondContact OD2-N 3.37Å; D193-L229 VanDerWaalsContact OD2-N 3.11Å; L229-T258 HydrophobicContact CD1-CG2 4.26Å
230P98.8Very high98.8Very high20 Ų2025 Ų2513%0.1313%0.131CC..BIsolated β-bridgetrans-57.2144.6173.4-31.541.2000115.9I18 R232 N253 Q255I18-P230 HydrophobicContact CG2-CB 4.24Å; P230-R232 PolarHBondContact O-N 3.04Å; P230-N253 WeakPolarHBondContact CB-O 3.32Å; P230-N253 WeakPolarHBondContact CG-O 3.44Å; P230-Q255 HydrophobicContact CB-CB 4.28Å; P230-Q255 HydrophobicContact CG-CB 4Å
231D98.9Very high98.8Very high6 Ų618 Ų183%0.03210%0.104CC..  trans-73.599.2174.7-159.8-53.6000111.4I18 S19 A21 K22 I233 E234 T235I18-D231 HydrophobicContact CG2-CB 4.29Å; I18-D231 WeakPolarHBondContact CG2-O 3.36Å; S19-D231 PolarHBondContact O-N 3.26Å; A21-D231 WeakPolarHBondContact CA-OD2 3.27Å; A21-D231 HydrophobicContact CB-CB 4.24Å; K22-D231 PolarHBondContact N-OD2 2.84Å; D231-I233 PolarHBondContact O-N 2.79Å; D231-I233 WeakPolarHBondContact OD1-CA 3.33Å; D231-I233 WeakPolarHBondContact OD1-CB 3.32Å; D231-I233 PolarHBondContact OD1-N 3.29Å; D231-E234 HydrophobicContact CB-CB 3.74Å; D231-E234 PolarHBondContact O-N 2.66Å; D231-E234 PolarHBondContact OD1-N 3.44Å; D231-T235 WeakPolarHBondContact O-CB 3.46Å; D231-T235 PolarHBondContact O-N 3.2Å; D231-T235 PolarHBondContact O-OG1 3.29Å
232R98.8Very high98.8Very high15 Ų1517.9 Ų17.96%0.05710%0.104CC..Hα-helixtrans-60-30.5176.568.7-175.5173.593.7-2.1113.3E190 P230 G236 T258 L259E190-R232 WeakPolarHBondContact OE1-CD 3.19Å; E190-R232 IonicContact OE1-CZ 2.76Å; E190-R232 IonicContact OE1-NE 3.32Å; E190-R232 PolarHBondContact OE1-NE 3.46Å; E190-R232 IonicContact OE1-NH2 3.98Å; E190-R232 IonicContact OE2-CZ 3.17Å; E190-R232 IonicContact OE2-NE 3.6Å; E190-R232 PolarHBondContact OE2-NE 3.02Å; E190-R232 IonicContact OE2-NH2 3.8Å; E190-R232 PolarHBondContact OE2-NH2 3.48Å; P230-R232 PolarHBondContact O-N 3.04Å; R232-G236 PolarHBondContact O-N 2.91Å; R232-T258 VanDerWaalsContact CB-OG1 3.28Å; R232-T258 WeakPolarHBondContact CB-OG1 3.27Å; R232-L259 HydrophobicContact CB-CD1 4.24Å; R232-L259 HydrophobicContact CB-CD2 3.99Å; R232-L259 HydrophobicContact CB-CG 3.92Å; R232-L259 WeakPolarHBondContact O-CD2 3.22Å
233I98.8Very high98.8Very high1 Ų116.7 Ų16.71%0.0059%0.091CC..Hα-helixtrans-79.4-38.2-179.6-52.7-57.3000110.6D231 T235 G236 T237 P303 D305 M306 R371D231-I233 PolarHBondContact O-N 2.79Å; D231-I233 WeakPolarHBondContact OD1-CA 3.33Å; D231-I233 WeakPolarHBondContact OD1-CB 3.32Å; D231-I233 PolarHBondContact OD1-N 3.29Å; I233-T235 VanDerWaalsContact C-N 3.34Å; I233-G236 PolarHBondContact O-N 3.37Å; I233-T237 WeakPolarHBondContact O-CB 3.38Å; I233-T237 PolarHBondContact O-N 2.86Å; I233-T237 PolarHBondContact O-OG1 3.25Å; I233-P303 HydrophobicContact CD1-CB 4.36Å; I233-P303 HydrophobicContact CD1-CG 4.31Å; I233-D305 HydrophobicContact CD1-CB 3.54Å; I233-D305 HydrophobicContact CG1-CB 3.81Å; I233-D305 HydrophobicContact CG2-CB 4.07Å; I233-D305 WeakPolarHBondContact CG2-O 3.41Å; I233-M306 HydrophobicContact CD1-CG 4.11Å; I233-M306 HydrophobicContact CG2-SD 4.12Å; I233-R371 VanDerWaalsContact CG2-CZ 3.4Å
234E98.8Very high98.8Very high2 Ų216 Ų161%0.0098%0.082CC..Hα-helixtrans-59.1-48.7168.9-174177.5-131.100110.5I18 S19 D231 G236 T237 F238 Y399 K405I18-E234 WeakPolarHBondContact CA-OE2 3.13Å; I18-E234 HydrophobicContact CD1-CG 4.27Å; I18-E234 HydrophobicContact CG2-CB 4.5Å; S19-E234 WeakPolarHBondContact CB-OE2 3.29Å; S19-E234 PolarHBondContact N-OE2 2.79Å; D231-E234 HydrophobicContact CB-CB 3.74Å; D231-E234 PolarHBondContact O-N 2.66Å; D231-E234 PolarHBondContact OD1-N 3.44Å; E234-G236 PolarHBondContact O-N 2.68Å; E234-T237 WeakPolarHBondContact O-CB 3.22Å; E234-T237 PolarHBondContact O-N 2.82Å; E234-T237 VanDerWaalsContact O-N 3.1Å; E234-F238 HydrophobicContact CG-CD2 3.73Å; E234-F238 HydrophobicContact CG-CE2 3.55Å; E234-F238 WeakPolarHBondContact O-CD2 3.22Å; E234-F238 PolarHBondContact O-N 2.93Å; E234-Y399 HydrophobicContact CG-CD1 4.21Å; E234-Y399 HydrophobicContact CG-CE1 4.48Å; E234-K405 IonicContact OE1-NZ 3.38Å; E234-K405 PolarHBondContact OE1-NZ 2.89Å; E234-K405 IonicContact OE2-NZ 3.42Å; E234-K405 PolarHBondContact OE2-NZ 3.43Å
235T98.9Very high98.8Very high1 Ų115.5 Ų15.51%0.0068%0.075CC..Hα-helixtrans-53.6-54.9176-53.60000110.8I18 D231 I233 T237 F238 L239 C251 A254 L259 I280I18-T235 HydrophobicContact CG1-CG2 4.47Å; I18-T235 WeakPolarHBondContact CG1-OG1 3.49Å; I18-T235 WeakPolarHBondContact CG2-OG1 3.45Å; D231-T235 WeakPolarHBondContact O-CB 3.46Å; D231-T235 PolarHBondContact O-N 3.2Å; D231-T235 PolarHBondContact O-OG1 3.29Å; I233-T235 VanDerWaalsContact C-N 3.34Å; T235-T237 VanDerWaalsContact C-N 3.27Å; T235-T237 PolarHBondContact O-N 2.96Å; T235-F238 PolarHBondContact O-N 3.26Å; T235-L239 HydrophobicContact CG2-CD1 4.1Å; T235-L239 HydrophobicContact CG2-CG 4.47Å; T235-L239 VanDerWaalsContact O-CG 3.31Å; T235-L239 WeakPolarHBondContact O-CG 3.34Å; T235-L239 PolarHBondContact O-N 2.86Å; T235-C251 HydrophobicContact CG2-CB 4.03Å; T235-A254 HydrophobicContact CG2-CB 4.07Å; T235-L259 HydrophobicContact CG2-CD1 3.58Å; T235-I280 HydrophobicContact CG2-CD1 3.88Å
236G98.9Very high98.8Very high0 Ų014.8 Ų14.80%06%0.063CC..Hα-helixtrans-58.6-37.6177.700000112.9R232 I233 E234 L239 V240 M306R232-G236 PolarHBondContact O-N 2.91Å; I233-G236 PolarHBondContact O-N 3.37Å; E234-G236 PolarHBondContact O-N 2.68Å; G236-L239 PolarHBondContact O-N 2.87Å; G236-V240 WeakPolarHBondContact O-CG2 3.26Å; G236-V240 PolarHBondContact O-N 2.84Å; G236-M306 VanDerWaalsContact O-CE 3.24Å; G236-M306 WeakPolarHBondContact O-CE 3.44Å
237T98.9Very high98.8Very high1 Ų113.4 Ų13.41%0.0066%0.058CC..Hα-helixtrans-62.9-44.6177.9-58.60000111.2I233 E234 T235 V240 A241 Q309 A374 L378 Y399I233-T237 WeakPolarHBondContact O-CB 3.38Å; I233-T237 PolarHBondContact O-N 2.86Å; I233-T237 PolarHBondContact O-OG1 3.25Å; E234-T237 WeakPolarHBondContact O-CB 3.22Å; E234-T237 PolarHBondContact O-N 2.82Å; E234-T237 VanDerWaalsContact O-N 3.1Å; T235-T237 VanDerWaalsContact C-N 3.27Å; T235-T237 PolarHBondContact O-N 2.96Å; T237-V240 PolarHBondContact O-N 2.97Å; T237-A241 WeakPolarHBondContact O-CB 3.47Å; T237-A241 PolarHBondContact O-N 3.02Å; T237-Q309 HydrophobicContact CG2-CG 4.35Å; T237-Q309 PolarHBondContact OG1-NE2 2.96Å; T237-Q309 VanDerWaalsContact OG1-NE2 3.14Å; T237-A374 HydrophobicContact CG2-CB 4.44Å; T237-L378 HydrophobicContact CG2-CD1 3.84Å; T237-Y399 HydrophobicContact CG2-CE1 3.81Å; T237-Y399 PolarHBondContact OG1-OH 2.92Å
238F98.9Very high98.8Very high2 Ų212 Ų121%0.0096%0.056CC..Hα-helixtrans-71.9-33.8177.5-78.3-67.9000113.3V16 I18 E234 T235 A241 A242 I249 I402 K405 L406 L409V16-F238 HydrophobicContact CG1-CB 3.99Å; V16-F238 HydrophobicContact CG1-CD1 4.42Å; V16-F238 HydrophobicContact CG1-CD2 4.2Å; V16-F238 HydrophobicContact CG1-CG 3.96Å; V16-F238 HydrophobicContact CG2-CD1 4.4Å; V16-F238 HydrophobicContact CG2-CD2 4.07Å; V16-F238 HydrophobicContact CG2-CE1 4.3Å; V16-F238 HydrophobicContact CG2-CE2 3.98Å; V16-F238 HydrophobicContact CG2-CG 4.31Å; V16-F238 HydrophobicContact CG2-CZ 4.12Å; I18-F238 HydrophobicContact CD1-CD2 4.16Å; E234-F238 HydrophobicContact CG-CD2 3.73Å; E234-F238 HydrophobicContact CG-CE2 3.55Å; E234-F238 WeakPolarHBondContact O-CD2 3.22Å; E234-F238 PolarHBondContact O-N 2.93Å; T235-F238 PolarHBondContact O-N 3.26Å; F238-A241 WeakPolarHBondContact O-CB 3.16Å; F238-A241 PolarHBondContact O-N 2.95Å; F238-A242 PolarHBondContact O-N 3.15Å; F238-A242 VanDerWaalsContact O-N 3.09Å; F238-I249 HydrophobicContact CB-CD1 3.95Å; F238-I249 HydrophobicContact CD1-CD1 4.5Å; F238-I402 HydrophobicContact CZ-CG1 4.31Å; F238-K405 HydrophobicContact CE1-CB 3.88Å; F238-K405 HydrophobicContact CE2-CB 4.35Å; F238-K405 HydrophobicContact CE2-CD 3.78Å; F238-K405 HydrophobicContact CZ-CB 3.44Å; F238-K405 VanDerWaalsContact CZ-CB 3.44Å; F238-K405 HydrophobicContact CZ-CD 3.71Å; F238-K405 HydrophobicContact CZ-CG 4.2Å; F238-L406 HydrophobicContact CE1-CD2 4.03Å; F238-L406 HydrophobicContact CE1-CG 4.23Å; F238-L409 HydrophobicContact CD1-CD1 3.63Å; F238-L409 HydrophobicContact CE1-CD1 3.94Å
239L98.9Very high98.8Very high0 Ų012 Ų120%06%0.056CC..Hα-helixtrans-61.6-45.4170.9-67.3173000111.1T235 G236 A241 A242 A243 I249 L263 L266 I280 L282T235-L239 HydrophobicContact CG2-CD1 4.1Å; T235-L239 HydrophobicContact CG2-CG 4.47Å; T235-L239 VanDerWaalsContact O-CG 3.31Å; T235-L239 WeakPolarHBondContact O-CG 3.34Å; T235-L239 PolarHBondContact O-N 2.86Å; G236-L239 PolarHBondContact O-N 2.87Å; L239-A241 VanDerWaalsContact C-N 3.33Å; L239-A241 PolarHBondContact O-N 3.47Å; L239-A242 PolarHBondContact O-N 3.27Å; L239-A243 WeakPolarHBondContact O-CB 2.99Å; L239-A243 PolarHBondContact O-N 3.5Å; L239-I249 HydrophobicContact CD2-CG2 4.11Å; L239-L263 HydrophobicContact CD1-CD2 3.7Å; L239-L266 HydrophobicContact CB-CD1 3.78Å; L239-L266 HydrophobicContact CD1-CD1 4.1Å; L239-I280 HydrophobicContact CD1-CG2 4.1Å; L239-I280 HydrophobicContact CD2-CG2 3.93Å; L239-L282 HydrophobicContact CB-CD1 4.09Å; L239-L282 HydrophobicContact CD2-CB 3.75Å; L239-L282 HydrophobicContact CD2-CD1 4.22Å
240V98.9Very high98.9Very high0 Ų013.2 Ų13.20%06%0.062CC..Hα-helixtrans-61.8-41.4173.7170.10000111.1G236 T237 A242 A243 I244 L266 M306 Q309 F310 L313 L378G236-V240 WeakPolarHBondContact O-CG2 3.26Å; G236-V240 PolarHBondContact O-N 2.84Å; T237-V240 PolarHBondContact O-N 2.97Å; V240-A242 VanDerWaalsContact C-N 3.31Å; V240-A242 PolarHBondContact O-N 2.83Å; V240-A243 PolarHBondContact O-N 3.05Å; V240-A243 VanDerWaalsContact O-N 3.1Å; V240-I244 HydrophobicContact CG1-CG2 3.92Å; V240-I244 WeakPolarHBondContact O-CG1 3.46Å; V240-I244 WeakPolarHBondContact O-CG2 3.37Å; V240-I244 PolarHBondContact O-N 2.99Å; V240-L266 HydrophobicContact CG2-CD2 4.32Å; V240-M306 HydrophobicContact CG2-CE 3.62Å; V240-Q309 HydrophobicContact CB-CB 4.4Å; V240-Q309 HydrophobicContact CG1-CB 4.16Å; V240-Q309 WeakPolarHBondContact CG1-O 3.44Å; V240-Q309 HydrophobicContact CG2-CB 4.29Å; V240-F310 HydrophobicContact CG2-CD2 3.79Å; V240-F310 HydrophobicContact CG2-CE2 3.61Å; V240-F310 HydrophobicContact CG2-CZ 4.48Å; V240-L313 HydrophobicContact CG1-CB 4.32Å; V240-L313 HydrophobicContact CG1-CD1 4.46Å; V240-L313 HydrophobicContact CG2-CD1 4.39Å; V240-L378 HydrophobicContact CG1-CD1 4.5Å
241A98.9Very high98.9Very high0 Ų012.2 Ų12.20%06%0.055CC..Hα-helixtrans-56.8-43.2178.200000112.5L12 T237 F238 L239 S245 L378L12-A241 HydrophobicContact CD1-CB 3.82Å; T237-A241 WeakPolarHBondContact O-CB 3.47Å; T237-A241 PolarHBondContact O-N 3.02Å; F238-A241 WeakPolarHBondContact O-CB 3.16Å; F238-A241 PolarHBondContact O-N 2.95Å; L239-A241 VanDerWaalsContact C-N 3.33Å; L239-A241 PolarHBondContact O-N 3.47Å; A241-S245 WeakPolarHBondContact O-CB 3.44Å; A241-S245 PolarHBondContact O-N 2.96Å; A241-S245 PolarHBondContact O-OG 3.38Å; A241-L378 HydrophobicContact CB-CD1 4.05Å; A241-L378 HydrophobicContact CB-CD2 3.59Å; A241-L378 HydrophobicContact CB-CG 4.44Å
242A98.9Very high98.9Very high0 Ų016 Ų160%07%0.069CC..Hα-helixtrans-68.5-41.8173.900000112.1F238 L239 V240 S245 R246 G247 I249 L282F238-A242 PolarHBondContact O-N 3.15Å; F238-A242 VanDerWaalsContact O-N 3.09Å; L239-A242 PolarHBondContact O-N 3.27Å; V240-A242 VanDerWaalsContact C-N 3.31Å; V240-A242 PolarHBondContact O-N 2.83Å; A242-S245 PolarHBondContact O-N 3.34Å; A242-S245 PolarHBondContact O-OG 2.96Å; A242-R246 PolarHBondContact O-N 3.31Å; A242-G247 PolarHBondContact O-N 2.86Å; A242-I249 HydrophobicContact CB-CB 3.7Å; A242-I249 HydrophobicContact CB-CG2 3.37Å; A242-L282 HydrophobicContact CB-CD2 4.17Å
243A98.9Very high98.8Very high1 Ų118.1 Ų18.11%0.0088%0.081CC..Hα-helixtrans-60.8-51.2-179.200000112.7L239 V240 S245 R246 L266 L282 M284 L313L239-A243 WeakPolarHBondContact O-CB 2.99Å; L239-A243 PolarHBondContact O-N 3.5Å; V240-A243 PolarHBondContact O-N 3.05Å; V240-A243 VanDerWaalsContact O-N 3.1Å; A243-S245 VanDerWaalsContact C-N 3.28Å; A243-S245 PolarHBondContact O-N 2.98Å; A243-R246 PolarHBondContact O-N 3.07Å; A243-L266 HydrophobicContact CB-CD2 4.18Å; A243-L282 HydrophobicContact CB-CD1 4.41Å; A243-L282 HydrophobicContact CB-CD2 4.28Å; A243-M284 HydrophobicContact CB-CG 4.38Å; A243-M284 HydrophobicContact CB-SD 4.04Å; A243-L313 HydrophobicContact CB-CD1 4.15Å
244I98.8Very high98.8Very high8 Ų818.2 Ų18.24%0.0418%0.083CC..Hα-helixtrans-69.1-27.3-176.568.2178.8000113.1V240 R246 L312 L313 V316 L378 I382V240-I244 HydrophobicContact CG1-CG2 3.92Å; V240-I244 WeakPolarHBondContact O-CG1 3.46Å; V240-I244 WeakPolarHBondContact O-CG2 3.37Å; V240-I244 PolarHBondContact O-N 2.99Å; I244-R246 VanDerWaalsContact C-N 3.31Å; I244-L312 HydrophobicContact CD1-CD2 3.51Å; I244-L312 HydrophobicContact CD1-CG 4.02Å; I244-L313 HydrophobicContact CG2-CB 3.87Å; I244-L313 HydrophobicContact CG2-CD1 4.48Å; I244-L313 HydrophobicContact CG2-CG 4.08Å; I244-V316 HydrophobicContact CB-CG2 3.91Å; I244-V316 HydrophobicContact CG2-CG2 4.02Å; I244-L378 HydrophobicContact CD1-CB 4.01Å; I244-I382 HydrophobicContact CB-CD1 4.02Å; I244-I382 HydrophobicContact CD1-CD1 3.85Å; I244-I382 HydrophobicContact CD1-CG1 4.39Å; I244-I382 HydrophobicContact CD1-CG2 4.36Å; I244-I382 HydrophobicContact CG1-CD1 3.99Å; I244-I382 HydrophobicContact CG1-CG2 4.07Å
245S98.8Very high98.8Very high12 Ų1221 Ų218%0.08410%0.096CC..THydrogen-bonded Turntrans-90.34.3178.568.50000113.1L12 A241 A242 A243 G247L12-S245 WeakPolarHBondContact CB-OG 3.37Å; L12-S245 PolarHBondContact N-OG 3.09Å; A241-S245 WeakPolarHBondContact O-CB 3.44Å; A241-S245 PolarHBondContact O-N 2.96Å; A241-S245 PolarHBondContact O-OG 3.38Å; A242-S245 PolarHBondContact O-N 3.34Å; A242-S245 PolarHBondContact O-OG 2.96Å; A243-S245 VanDerWaalsContact C-N 3.28Å; A243-S245 PolarHBondContact O-N 2.98Å; S245-G247 PolarHBondContact O-N 2.7Å
246R98.7Very high98.8Very high69 Ų6921.8 Ų21.826%0.2610%0.101SC..THydrogen-bonded Turntrans57.934.7-178.8-42.9-179.1-173.9176.5-0.1111.8K11 A242 A243 I244 K287 E358K11-R246 VanDerWaalsContact CE-O 3.27Å; K11-R246 WeakPolarHBondContact CE-O 3.23Å; K11-R246 PolarHBondContact NZ-O 3.29Å; K11-R246 VanDerWaalsContact NZ-O 3.16Å; A242-R246 PolarHBondContact O-N 3.31Å; A243-R246 PolarHBondContact O-N 3.07Å; I244-R246 VanDerWaalsContact C-N 3.31Å; R246-K287 WeakPolarHBondContact CB-O 3.49Å; R246-K287 WeakPolarHBondContact CG-O 3.47Å; R246-E358 IonicContact CZ-OE1 3.46Å; R246-E358 IonicContact NH1-OE1 3.64Å; R246-E358 PolarHBondContact NH1-OE1 2.81Å; R246-E358 VanDerWaalsContact NH1-OE1 3.09Å; R246-E358 VanDerWaalsContact NH2-CD 3.32Å; R246-E358 IonicContact NH2-OE1 3.51Å; R246-E358 PolarHBondContact NH2-OE1 3.04Å; R246-E358 IonicContact NH2-OE2 3.8Å
247G98.7Very high98.8Very high2 Ų226.6 Ų26.62%0.02113%0.127CC..  trans-100.5-161.7-176.800000113.3A242 S245 M284A242-G247 PolarHBondContact O-N 2.86Å; S245-G247 PolarHBondContact O-N 2.7Å; G247-M284 PolarHBondContact O-N 2.92Å
248K98.9Very high98.8Very high100 Ų10026.8 Ų26.844%0.43513%0.128SC..EExtended strand (participates in β ladder)trans-143.9134.1177.8-179.5-172.8-167.4133.70109.9Q13 G14 L282 D283Q13-K248 CarbonylContact C-O 2.91Å; Q13-K248 WeakPolarHBondContact CA-O 3.49Å; Q13-K248 VanDerWaalsContact CB-O 3.29Å; Q13-K248 WeakPolarHBondContact CB-O 3.31Å; G14-K248 PolarHBondContact N-O 3.19Å; K248-L282 CarbonylContact C-O 3.31Å; K248-L282 WeakPolarHBondContact CA-O 3.49Å; K248-L282 WeakPolarHBondContact CG-O 3.33Å; K248-D283 HydrophobicContact CB-CB 4.35Å; K248-D283 HydrophobicContact CD-CB 4.2Å; K248-D283 WeakPolarHBondContact CD-OD2 3.31Å; K248-D283 WeakPolarHBondContact CE-OD2 3.31Å; K248-D283 HydrophobicContact CG-CB 3.85Å; K248-D283 IonicContact NZ-OD2 3.22Å; K248-D283 PolarHBondContact NZ-OD2 3.45Å
249I98.9Very high98.8Very high1 Ų126.9 Ų26.91%0.00513%0.128CC..EExtended strand (participates in β ladder)trans-137.6152.3-179.4-164.8167.1000112.6G14 V16 F238 L239 A242 S281 L282 L409G14-I249 CarbonylContact O-C 3.55Å; G14-I249 VanDerWaalsContact O-CA 3.27Å; G14-I249 WeakPolarHBondContact O-CA 3.35Å; V16-I249 HydrophobicContact CB-CD1 4.44Å; V16-I249 HydrophobicContact CG1-CD1 3.78Å; V16-I249 HydrophobicContact CG1-CG1 4.29Å; F238-I249 HydrophobicContact CB-CD1 3.95Å; F238-I249 HydrophobicContact CD1-CD1 4.5Å; L239-I249 HydrophobicContact CD2-CG2 4.11Å; A242-I249 HydrophobicContact CB-CB 3.7Å; A242-I249 HydrophobicContact CB-CG2 3.37Å; I249-S281 CarbonylContact O-C 3.55Å; I249-S281 VanDerWaalsContact O-CA 3.31Å; I249-S281 WeakPolarHBondContact O-CA 3.39Å; I249-L282 HydrophobicContact CG2-CB 4.14Å; I249-L282 PolarHBondContact N-O 2.7Å; I249-L282 PolarHBondContact O-N 3.32Å; I249-L409 HydrophobicContact CD1-CD1 3.59Å; I249-L409 HydrophobicContact CD1-CD2 3.72Å; I249-L409 HydrophobicContact CD1-CG 4.32Å; I249-L409 HydrophobicContact CG1-CD2 3.99Å
250I98.9Very high98.8Very high36 Ų3631.9 Ų31.919%0.18516%0.155CC..EExtended strand (participates in β ladder)trans-118119.8161.9-57.4175.6000109.1G14 E15 V16 R252 W279 I280G14-I250 PolarHBondContact O-N 3.17Å; E15-I250 CarbonylContact C-O 3.51Å; E15-I250 VanDerWaalsContact CA-O 3.28Å; E15-I250 WeakPolarHBondContact CA-O 3.48Å; E15-I250 HydrophobicContact CG-CB 4.07Å; V16-I250 PolarHBondContact N-O 2.87Å; I250-R252 HydrophobicContact CG2-CG 4.42Å; I250-W279 HydrophobicContact CG2-CB 4.44Å; I250-W279 HydrophobicContact CG2-CE3 4.49Å; I250-I280 CarbonylContact C-O 3.3Å; I250-I280 WeakPolarHBondContact CA-O 3.44Å
251C98.9Very high98.8Very high0 Ų033.1 Ų33.10%017%0.165CC..EExtended strand (participates in β ladder)trans-90108.8170.6-64.70000108.9V16 I18 T235 A254 W279 I280V16-C251 HydrophobicContact CG1-CB 4.33Å; V16-C251 CarbonylContact O-C 3.42Å; V16-C251 WeakPolarHBondContact O-CA 3.32Å; I18-C251 HydrophobicContact CD1-CB 4.18Å; I18-C251 HydrophobicContact CG1-CB 4.02Å; T235-C251 HydrophobicContact CG2-CB 4.03Å; C251-A254 HydrophobicContact CB-CB 4.38Å; C251-W279 WeakPolarHBondContact O-CA 3.33Å; C251-W279 WeakPolarHBondContact O-CB 3.39Å; C251-I280 PolarHBondContact N-O 3.1Å; C251-I280 PolarHBondContact O-N 3.02Å
252R98.8Very high98.8Very high85 Ų8533.2 Ų33.232%0.32117%0.166SC..EExtended strand (participates in β ladder)trans-86.8155.5175.1-56.8-66.7-173.3-177.1-2.9110.7E15 V16 I18 I250 A254E15-R252 IonicContact OE1-CZ 2.76Å; E15-R252 IonicContact OE1-NE 3.05Å; E15-R252 IonicContact OE1-NH2 3.75Å; E15-R252 PolarHBondContact OE1-NH2 2.66Å; E15-R252 IonicContact OE2-CZ 3.61Å; E15-R252 IonicContact OE2-NE 2.7Å; E15-R252 PolarHBondContact OE2-NE 3.14Å; E15-R252 IonicContact OE2-NH2 2.95Å; E15-R252 PolarHBondContact OE2-NH2 2.86Å; V16-R252 PolarHBondContact O-N 3.04Å; I18-R252 WeakPolarHBondContact CB-O 3.49Å; I18-R252 WeakPolarHBondContact CG1-O 3.35Å; I18-R252 PolarHBondContact N-O 2.92Å; I250-R252 HydrophobicContact CG2-CG 4.42Å; R252-A254 PolarHBondContact O-N 3.01Å
253N98.6Very high98.8Very high59 Ų5933.4 Ų33.432%0.31617%0.167SC..SBendtrans53.737.4-171.8-66.24.8000111.9T17 P230 D278T17-N253 HydrophobicContact CG2-CB 4.16Å; P230-N253 WeakPolarHBondContact CB-O 3.32Å; P230-N253 WeakPolarHBondContact CG-O 3.44Å; N253-D278 CarbonylContact C-O 3.37Å; N253-D278 WeakPolarHBondContact CA-O 3.29Å; N253-D278 PolarHBondContact N-O 3.39Å
254A98.7Very high98.8Very high4 Ų435.4 Ų35.43%0.03318%0.183CC..  trans-89.8166.6173.600000110.2T235 C251 R252 D278 I280T235-A254 HydrophobicContact CG2-CB 4.07Å; C251-A254 HydrophobicContact CB-CB 4.38Å; R252-A254 PolarHBondContact O-N 3.01Å; A254-D278 PolarHBondContact N-O 3.31Å; A254-D278 CarbonylContact O-C 3.54Å; A254-D278 VanDerWaalsContact O-CA 3.31Å; A254-D278 WeakPolarHBondContact O-CA 3Å; A254-I280 HydrophobicContact CB-CD1 4.02Å; A254-I280 HydrophobicContact CB-CG1 3.91Å
255Q98.7Very high98.8Very high60 Ų6037.7 Ų37.728%0.2819%0.193SC..  trans-12895.5170.8-159.3-174-61.500108.7P230 D257 T258P230-Q255 HydrophobicContact CB-CB 4.28Å; P230-Q255 HydrophobicContact CG-CB 4Å; Q255-D257 VanDerWaalsContact C-N 3.34Å; Q255-D257 VanDerWaalsContact CG-OD1 3.3Å; Q255-D257 WeakPolarHBondContact CG-OD1 3.29Å; Q255-D257 PolarHBondContact NE2-OD1 3.17Å; Q255-D257 PolarHBondContact O-N 3.32Å; Q255-T258 HydrophobicContact CB-CG2 3.97Å; Q255-T258 HydrophobicContact CG-CG2 4.09Å; Q255-T258 VanDerWaalsContact NE2-CG2 3.33Å; Q255-T258 WeakPolarHBondContact O-CB 3.06Å; Q255-T258 PolarHBondContact O-N 3.04Å; Q255-T258 PolarHBondContact O-OG1 3.01Å
256P98.7Very high98.8Very high18 Ų1837.1 Ų37.112%0.11719%0.189CC..G310 helixtrans-58.8-37.9-167.1-27.134.5000115.5T258 L259 V275 G276 I280P256-T258 PolarHBondContact O-N 3.1Å; P256-T258 VanDerWaalsContact O-N 3.09Å; P256-L259 PolarHBondContact O-N 2.99Å; P256-V275 HydrophobicContact CB-CB 3.98Å; P256-V275 HydrophobicContact CB-CG1 4Å; P256-V275 HydrophobicContact CB-CG2 4.49Å; P256-V275 HydrophobicContact CG-CB 3.97Å; P256-V275 HydrophobicContact CG-CG1 4.33Å; P256-G276 WeakPolarHBondContact CG-O 3.36Å; P256-I280 HydrophobicContact CB-CD1 4.27Å; P256-I280 HydrophobicContact CB-CG1 4.17Å; P256-I280 HydrophobicContact CG-CD1 4.34Å; P256-I280 HydrophobicContact CG-CG1 3.84Å
257D98.5Very high98.8Very high101 Ų10139.2 Ų39.254%0.5420%0.197SC..G310 helixtrans-63-16-178.568.8-7.2000113.8Q255 L259Q255-D257 VanDerWaalsContact C-N 3.34Å; Q255-D257 VanDerWaalsContact CG-OD1 3.3Å; Q255-D257 WeakPolarHBondContact CG-OD1 3.29Å; Q255-D257 PolarHBondContact NE2-OD1 3.17Å; Q255-D257 PolarHBondContact O-N 3.32Å; D257-L259 PolarHBondContact O-N 3.2Å
258T98.7Very high98.8Very high5 Ų543.5 Ų43.53%0.03122%0.219CC..G310 helixtrans-78.9-6.8175.268.40000113.6P189 L229 R232 Q255 P256P189-T258 HydrophobicContact CB-CG2 3.78Å; P189-T258 HydrophobicContact CG-CG2 3.78Å; L229-T258 HydrophobicContact CD1-CG2 4.26Å; R232-T258 VanDerWaalsContact CB-OG1 3.28Å; R232-T258 WeakPolarHBondContact CB-OG1 3.27Å; Q255-T258 HydrophobicContact CB-CG2 3.97Å; Q255-T258 HydrophobicContact CG-CG2 4.09Å; Q255-T258 VanDerWaalsContact NE2-CG2 3.33Å; Q255-T258 WeakPolarHBondContact O-CB 3.06Å; Q255-T258 PolarHBondContact O-N 3.04Å; Q255-T258 PolarHBondContact O-OG1 3.01Å; P256-T258 PolarHBondContact O-N 3.1Å; P256-T258 VanDerWaalsContact O-N 3.09Å
259L98.8Very high98.8Very high3 Ų338.8 Ų38.82%0.01620%0.199CC..  trans-129.211.2-166.3-76.8168.1000115.5R232 T235 P256 D257 A261 V262 L263 I280R232-L259 HydrophobicContact CB-CD1 4.24Å; R232-L259 HydrophobicContact CB-CD2 3.99Å; R232-L259 HydrophobicContact CB-CG 3.92Å; R232-L259 WeakPolarHBondContact O-CD2 3.22Å; T235-L259 HydrophobicContact CG2-CD1 3.58Å; P256-L259 PolarHBondContact O-N 2.99Å; D257-L259 PolarHBondContact O-N 3.2Å; L259-A261 VanDerWaalsContact C-N 3.32Å; L259-A261 PolarHBondContact O-N 3.01Å; L259-A261 VanDerWaalsContact O-N 3.1Å; L259-V262 HydrophobicContact CB-CB 4.45Å; L259-V262 HydrophobicContact CD2-CB 3.85Å; L259-V262 HydrophobicContact CD2-CG1 4.24Å; L259-V262 HydrophobicContact CD2-CG2 3.77Å; L259-V262 WeakPolarHBondContact O-CA 3.41Å; L259-V262 WeakPolarHBondContact O-CB 3.43Å; L259-V262 PolarHBondContact O-N 3.49Å; L259-L263 HydrophobicContact CB-CD1 4.38Å; L259-L263 HydrophobicContact CB-CD2 4.4Å; L259-L263 HydrophobicContact CB-CG 3.99Å; L259-L263 WeakPolarHBondContact O-CG 3.31Å; L259-L263 PolarHBondContact O-N 2.88Å; L259-I280 HydrophobicContact CD1-CD1 3.97Å
260D98.7Very high98.8Very high106 Ų10640.8 Ų40.857%0.56722%0.22SC*.Hα-helixtrans-41.8-53.4-176.7-72-8.8000114.3V262 L263 A264D260-V262 VanDerWaalsContact C-N 3.32Å; D260-V262 PolarHBondContact O-N 2.9Å; D260-L263 PolarHBondContact O-N 3.32Å; D260-A264 VanDerWaalsContact O-CB 3.31Å; D260-A264 WeakPolarHBondContact O-CB 3.31Å; D260-A264 PolarHBondContact O-N 2.84Å
261A98.7Very high98.8Very high26 Ų2639.4 Ų39.422%0.21521%0.214CC..Hα-helixtrans-64.1-34.4-179.800000113.4L259 K265 F302L259-A261 VanDerWaalsContact C-N 3.32Å; L259-A261 PolarHBondContact O-N 3.01Å; L259-A261 VanDerWaalsContact O-N 3.1Å; A261-K265 WeakPolarHBondContact O-CG 3.4Å; A261-K265 PolarHBondContact O-N 3.45Å; A261-F302 HydrophobicContact CB-CB 4.34Å
262V98.9Very high98.8Very high1 Ų142.9 Ų42.91%0.00623%0.232CC..Hα-helixtrans-72.7-46.7177.5175.50000110.1L259 D260 A264 K265 L266 F302 P303 M306 F310L259-V262 HydrophobicContact CB-CB 4.45Å; L259-V262 HydrophobicContact CD2-CB 3.85Å; L259-V262 HydrophobicContact CD2-CG1 4.24Å; L259-V262 HydrophobicContact CD2-CG2 3.77Å; L259-V262 WeakPolarHBondContact O-CA 3.41Å; L259-V262 WeakPolarHBondContact O-CB 3.43Å; L259-V262 PolarHBondContact O-N 3.49Å; D260-V262 VanDerWaalsContact C-N 3.32Å; D260-V262 PolarHBondContact O-N 2.9Å; V262-A264 PolarHBondContact O-N 3.3Å; V262-K265 PolarHBondContact O-N 2.96Å; V262-L266 HydrophobicContact CG1-CD1 4.04Å; V262-L266 WeakPolarHBondContact O-CG 3.46Å; V262-L266 PolarHBondContact O-N 3.1Å; V262-F302 HydrophobicContact CG2-CD2 4.34Å; V262-F302 HydrophobicContact CG2-CE2 4.07Å; V262-P303 HydrophobicContact CG2-CG 3.85Å; V262-M306 HydrophobicContact CG1-CE 4.49Å; V262-M306 HydrophobicContact CG2-CB 4.48Å; V262-M306 HydrophobicContact CG2-CG 4.1Å; V262-F310 HydrophobicContact CG1-CE2 3.92Å; V262-F310 HydrophobicContact CG1-CZ 4.09Å
263L98.9Very high98.8Very high5 Ų539.5 Ų39.53%0.02622%0.221CC..Hα-helixtrans-64-41.5179.3-58.8-175.9000111.3L239 L259 D260 K265 L266 R267 I273 V275 I280L239-L263 HydrophobicContact CD1-CD2 3.7Å; L259-L263 HydrophobicContact CB-CD1 4.38Å; L259-L263 HydrophobicContact CB-CD2 4.4Å; L259-L263 HydrophobicContact CB-CG 3.99Å; L259-L263 WeakPolarHBondContact O-CG 3.31Å; L259-L263 PolarHBondContact O-N 2.88Å; D260-L263 PolarHBondContact O-N 3.32Å; L263-K265 VanDerWaalsContact C-N 3.33Å; L263-K265 PolarHBondContact O-N 2.87Å; L263-L266 PolarHBondContact O-N 3.13Å; L263-R267 WeakPolarHBondContact O-CG 3.36Å; L263-R267 PolarHBondContact O-N 3.37Å; L263-I273 HydrophobicContact CD2-CD1 4.31Å; L263-I273 HydrophobicContact CD2-CG2 4.34Å; L263-V275 HydrophobicContact CD1-CG1 4.03Å; L263-I280 HydrophobicContact CD1-CD1 4.34Å; L263-I280 HydrophobicContact CD2-CD1 4.26Å; L263-I280 HydrophobicContact CD2-CG2 4.04Å
264A98.8Very high98.8Very high43 Ų4342.1 Ų42.136%0.35523%0.231SC..Hα-helixtrans-57.3-45.9173.500000111.5D260 V262 L266 R267 D268D260-A264 VanDerWaalsContact O-CB 3.31Å; D260-A264 WeakPolarHBondContact O-CB 3.31Å; D260-A264 PolarHBondContact O-N 2.84Å; V262-A264 PolarHBondContact O-N 3.3Å; A264-L266 PolarHBondContact O-N 2.89Å; A264-R267 WeakPolarHBondContact O-CB 3.33Å; A264-R267 PolarHBondContact O-N 3.47Å; A264-D268 PolarHBondContact O-N 3.01Å
265K98.9Very high98.8Very high56 Ų5645.2 Ų45.224%0.24325%0.249CC..Hα-helixtrans-70.2-30179.2-70.3-71.5159.1-153.50113.9A261 V262 L263 D268 A269 V292 N293 V294 F302 F310A261-K265 WeakPolarHBondContact O-CG 3.4Å; A261-K265 PolarHBondContact O-N 3.45Å; V262-K265 PolarHBondContact O-N 2.96Å; L263-K265 VanDerWaalsContact C-N 3.33Å; L263-K265 PolarHBondContact O-N 2.87Å; K265-D268 IonicContact NZ-OD2 2.75Å; K265-D268 PolarHBondContact NZ-OD2 3.46Å; K265-A269 WeakPolarHBondContact O-CB 3.37Å; K265-A269 PolarHBondContact O-N 3.4Å; K265-V292 HydrophobicContact CD-CB 4.49Å; K265-N293 WeakPolarHBondContact CD-O 3.14Å; K265-N293 WeakPolarHBondContact CE-O 3.4Å; K265-N293 PolarHBondContact NZ-O 3.13Å; K265-V294 HydrophobicContact CD-CG2 4.11Å; K265-V294 HydrophobicContact CG-CG2 4.32Å; K265-F302 HydrophobicContact CB-CD2 4.48Å; K265-F302 HydrophobicContact CB-CE2 4.28Å; K265-F302 HydrophobicContact CG-CD2 4.05Å; K265-F302 HydrophobicContact CG-CE2 4.31Å; K265-F310 HydrophobicContact CB-CE1 3.61Å; K265-F310 HydrophobicContact CB-CZ 4.08Å
266L98.9Very high98.8Very high0 Ų043.5 Ų43.50%025%0.248CC..Hα-helixtrans-69.3-37.6170.9-70.3165.1000111.6L239 V240 A243 V262 L263 A264 A269 G270 A271 I273 L282 F310 L313L239-L266 HydrophobicContact CB-CD1 3.78Å; L239-L266 HydrophobicContact CD1-CD1 4.1Å; V240-L266 HydrophobicContact CG2-CD2 4.32Å; A243-L266 HydrophobicContact CB-CD2 4.18Å; V262-L266 HydrophobicContact CG1-CD1 4.04Å; V262-L266 WeakPolarHBondContact O-CG 3.46Å; V262-L266 PolarHBondContact O-N 3.1Å; L263-L266 PolarHBondContact O-N 3.13Å; A264-L266 PolarHBondContact O-N 2.89Å; L266-A269 CarbonylContact O-C 3.57Å; L266-A269 WeakPolarHBondContact O-CA 3.39Å; L266-A269 WeakPolarHBondContact O-CB 3.49Å; L266-A269 PolarHBondContact O-N 2.91Å; L266-G270 PolarHBondContact O-N 3.41Å; L266-A271 HydrophobicContact CB-CB 4.24Å; L266-A271 WeakPolarHBondContact O-CB 3.37Å; L266-A271 PolarHBondContact O-N 3.07Å; L266-I273 HydrophobicContact CB-CD1 3.48Å; L266-I273 VanDerWaalsContact CB-CD1 3.48Å; L266-I273 HydrophobicContact CD1-CD1 4.14Å; L266-I273 HydrophobicContact CG-CD1 4.45Å; L266-L282 HydrophobicContact CB-CD1 4.31Å; L266-L282 HydrophobicContact CD1-CD1 3.89Å; L266-L282 HydrophobicContact CD2-CD1 4.21Å; L266-L282 HydrophobicContact CG-CD1 4.35Å; L266-F310 HydrophobicContact CD2-CE2 4.46Å; L266-F310 HydrophobicContact CD2-CZ 3.92Å; L266-F310 HydrophobicContact CG-CZ 3.86Å; L266-L313 HydrophobicContact CD2-CD1 3.81Å
267R98.9Very high98.7Very high112 Ų11251.2 Ų51.242%0.42328%0.282SS..Hα-helixtrans-63.9-42.8171.7-69.1-175.2-173.298.6-0.2112L263 A264 A269 G270 I273L263-R267 WeakPolarHBondContact O-CG 3.36Å; L263-R267 PolarHBondContact O-N 3.37Å; A264-R267 WeakPolarHBondContact O-CB 3.33Å; A264-R267 PolarHBondContact O-N 3.47Å; R267-A269 PolarHBondContact O-N 2.86Å; R267-G270 WeakPolarHBondContact O-CA 3.47Å; R267-G270 PolarHBondContact O-N 3.09Å; R267-I273 HydrophobicContact CG-CB 4.35Å; R267-I273 HydrophobicContact CG-CD1 4.19Å; R267-I273 HydrophobicContact CG-CG1 4.46Å; R267-I273 PolarHBondContact NH2-O 2.76Å
268D98.8Very high98.7Very high92 Ų9250.4 Ų50.449%0.49228%0.278SS..Hα-helixtrans-56.9-36.9172.5-70.2-14.4000111.2A264 K265 G270 V292A264-D268 PolarHBondContact O-N 3.01Å; K265-D268 IonicContact NZ-OD2 2.75Å; K265-D268 PolarHBondContact NZ-OD2 3.46Å; D268-G270 PolarHBondContact O-N 2.99Å; D268-V292 HydrophobicContact CB-CG1 3.7Å
269A98.9Very high98.7Very high1 Ų153.4 Ų53.41%0.00829%0.289CS..THydrogen-bonded Turntrans-73.4-0.9175.300000113.7K265 L266 R267 P289 K290 V292 L313K265-A269 WeakPolarHBondContact O-CB 3.37Å; K265-A269 PolarHBondContact O-N 3.4Å; L266-A269 CarbonylContact O-C 3.57Å; L266-A269 WeakPolarHBondContact O-CA 3.39Å; L266-A269 WeakPolarHBondContact O-CB 3.49Å; L266-A269 PolarHBondContact O-N 2.91Å; R267-A269 PolarHBondContact O-N 2.86Å; A269-P289 HydrophobicContact CB-CB 4.28Å; A269-P289 CarbonylContact O-C 3.46Å; A269-P289 VanDerWaalsContact O-CA 3.32Å; A269-P289 WeakPolarHBondContact O-CA 3.48Å; A269-K290 WeakPolarHBondContact CA-O 3.08Å; A269-K290 WeakPolarHBondContact CB-O 3.15Å; A269-K290 PolarHBondContact O-N 3.4Å; A269-V292 HydrophobicContact CB-CG1 3.85Å; A269-L313 HydrophobicContact CB-CD2 4.19Å
270G98.8Very high98.8Very high43 Ų4353.2 Ų53.244%0.44329%0.288SS..THydrogen-bonded Turntrans91.612.8176.700000115L266 R267 D268L266-G270 PolarHBondContact O-N 3.41Å; R267-G270 WeakPolarHBondContact O-CA 3.47Å; R267-G270 PolarHBondContact O-N 3.09Å; D268-G270 PolarHBondContact O-N 2.99Å
271A98.9Very high98.8Very high7 Ų748.7 Ų48.76%0.05826%0.264CS..  trans-77.5136.6175.100000111.5L266 I273 L282 M284L266-A271 HydrophobicContact CB-CB 4.24Å; L266-A271 WeakPolarHBondContact O-CB 3.37Å; L266-A271 PolarHBondContact O-N 3.07Å; A271-I273 HydrophobicContact CB-CD1 4.3Å; A271-I273 HydrophobicContact CB-CG1 4.21Å; A271-L282 HydrophobicContact CB-CD1 3.85Å; A271-L282 HydrophobicContact CB-CD2 4.15Å; A271-L282 HydrophobicContact CB-CG 3.83Å; A271-M284 HydrophobicContact CB-SD 3.59Å; A271-M284 VanDerWaalsContact CB-SD 3.59Å
272D98.9Very high98.8Very high73 Ų7347.4 Ų47.439%0.3925%0.254SS..BIsolated β-bridgetrans-85.3120.2169.2-176.112.4000109L282 D283 H285D272-L282 CarbonylContact O-C 3.42Å; D272-L282 VanDerWaalsContact O-CA 3.3Å; D272-L282 WeakPolarHBondContact O-CA 3.5Å; D272-D283 HydrophobicContact CB-CB 4.33Å; D272-D283 WeakPolarHBondContact CB-O 3.2Å; D272-D283 PolarHBondContact N-O 2.88Å; D272-D283 PolarHBondContact O-N 3.31Å; D272-H285 IonicContact OD2-CD2 3.37Å; D272-H285 IonicContact OD2-CE1 3.09Å; D272-H285 IonicContact OD2-NE2 2.7Å; D272-H285 PolarHBondContact OD2-NE2 2.85Å
273I98.9Very high98.8Very high14 Ų1448.5 Ų48.57%0.07226%0.26CS..  trans-131.7120-170.7-65.7178.6000110.5L263 L266 R267 A271 V275 I280 S281 L282L263-I273 HydrophobicContact CD2-CD1 4.31Å; L263-I273 HydrophobicContact CD2-CG2 4.34Å; L266-I273 HydrophobicContact CB-CD1 3.48Å; L266-I273 VanDerWaalsContact CB-CD1 3.48Å; L266-I273 HydrophobicContact CD1-CD1 4.14Å; L266-I273 HydrophobicContact CG-CD1 4.45Å; R267-I273 HydrophobicContact CG-CB 4.35Å; R267-I273 HydrophobicContact CG-CD1 4.19Å; R267-I273 HydrophobicContact CG-CG1 4.46Å; R267-I273 PolarHBondContact NH2-O 2.76Å; A271-I273 HydrophobicContact CB-CD1 4.3Å; A271-I273 HydrophobicContact CB-CG1 4.21Å; I273-V275 HydrophobicContact CG2-CG1 4.28Å; I273-I280 HydrophobicContact CG2-CG2 4.08Å; I273-S281 WeakPolarHBondContact CA-O 3.49Å; I273-S281 WeakPolarHBondContact CG2-O 3.28Å; I273-L282 HydrophobicContact CD1-CD1 4.03Å; I273-L282 HydrophobicContact CD1-CG 4.49Å; I273-L282 HydrophobicContact CG1-CB 4.26Å; I273-L282 HydrophobicContact CG1-CD1 4.17Å; I273-L282 HydrophobicContact CG1-CG 4.09Å
274E98.9Very high98.8Very high115 Ų11548.3 Ų48.354%0.53726%0.259SS..  trans-110.2151.3168.9-51.4174.3168.300110.1W279 S281E274-W279 HydrophobicContact CB-CH2 4.12Å; E274-W279 HydrophobicContact CB-CZ3 4.08Å; E274-S281 WeakPolarHBondContact CB-OG 2.92Å; E274-S281 PolarHBondContact N-O 2.82Å; E274-S281 PolarHBondContact N-OG 3.01Å; E274-S281 PolarHBondContact O-N 2.93Å; E274-S281 PolarHBondContact O-OG 2.86Å
275V98.8Very high98.8Very high68 Ų6851.6 Ų51.641%0.41227%0.267SS..BIsolated β-bridgetrans-132.9142.3178.4-59.20000109.6P256 L263 I273 I280P256-V275 HydrophobicContact CB-CB 3.98Å; P256-V275 HydrophobicContact CB-CG1 4Å; P256-V275 HydrophobicContact CB-CG2 4.49Å; P256-V275 HydrophobicContact CG-CB 3.97Å; P256-V275 HydrophobicContact CG-CG1 4.33Å; L263-V275 HydrophobicContact CD1-CG1 4.03Å; I273-V275 HydrophobicContact CG2-CG1 4.28Å; V275-I280 HydrophobicContact CG1-CG1 4.14Å; V275-I280 HydrophobicContact CG1-CG2 4.16Å
276G98.3Very high98.7Very high25 Ų2550.8 Ų50.826%0.25827%0.274SS..  trans-113-159.4165.800000110.9P256 W279P256-G276 WeakPolarHBondContact CG-O 3.36Å; G276-W279 PolarHBondContact N-O 2.82Å
277E97.6Very high98.7Very high179 Ų17957.5 Ų57.584%0.83630%0.303SS*.SBendtrans-65.2-45178.3-16867.3-161.400111.9
278D98.6Very high98.7Very high84 Ų8454.3 Ų54.345%0.44929%0.291SS..SBendtrans-131.520.6-170.669-22.8000113.2N253 A254N253-D278 CarbonylContact C-O 3.37Å; N253-D278 WeakPolarHBondContact CA-O 3.29Å; N253-D278 PolarHBondContact N-O 3.39Å; A254-D278 PolarHBondContact N-O 3.31Å; A254-D278 CarbonylContact O-C 3.54Å; A254-D278 VanDerWaalsContact O-CA 3.31Å; A254-D278 WeakPolarHBondContact O-CA 3Å
279W98.9Very high98.7Very high68 Ų6850 Ų5026%0.25827%0.268SS..EExtended strand (participates in β ladder)trans-149.2155.2-18063.9-94.3000113.2I250 C251 E274 G276I250-W279 HydrophobicContact CG2-CB 4.44Å; I250-W279 HydrophobicContact CG2-CE3 4.49Å; C251-W279 WeakPolarHBondContact O-CA 3.33Å; C251-W279 WeakPolarHBondContact O-CB 3.39Å; E274-W279 HydrophobicContact CB-CH2 4.12Å; E274-W279 HydrophobicContact CB-CZ3 4.08Å; G276-W279 PolarHBondContact N-O 2.82Å
280I98.9Very high98.7Very high0 Ų056.3 Ų56.30%030%0.295CS..EExtended strand (participates in β ladder)trans-131.5131.2174.6-55.9173.9000108.1T235 L239 I250 C251 A254 P256 L259 L263 I273 V275T235-I280 HydrophobicContact CG2-CD1 3.88Å; L239-I280 HydrophobicContact CD1-CG2 4.1Å; L239-I280 HydrophobicContact CD2-CG2 3.93Å; I250-I280 CarbonylContact C-O 3.3Å; I250-I280 WeakPolarHBondContact CA-O 3.44Å; C251-I280 PolarHBondContact N-O 3.1Å; C251-I280 PolarHBondContact O-N 3.02Å; A254-I280 HydrophobicContact CB-CD1 4.02Å; A254-I280 HydrophobicContact CB-CG1 3.91Å; P256-I280 HydrophobicContact CB-CD1 4.27Å; P256-I280 HydrophobicContact CB-CG1 4.17Å; P256-I280 HydrophobicContact CG-CD1 4.34Å; P256-I280 HydrophobicContact CG-CG1 3.84Å; L259-I280 HydrophobicContact CD1-CD1 3.97Å; L263-I280 HydrophobicContact CD1-CD1 4.34Å; L263-I280 HydrophobicContact CD2-CD1 4.26Å; L263-I280 HydrophobicContact CD2-CG2 4.04Å; I273-I280 HydrophobicContact CG2-CG2 4.08Å; V275-I280 HydrophobicContact CG1-CG1 4.14Å; V275-I280 HydrophobicContact CG1-CG2 4.16Å
281S98.9Very high98.7Very high10 Ų1055.3 Ų55.37%0.0728%0.283CS..EExtended strand (participates in β ladder)trans-105.4151169.675.20000110.8I249 I273 E274I249-S281 CarbonylContact O-C 3.55Å; I249-S281 VanDerWaalsContact O-CA 3.31Å; I249-S281 WeakPolarHBondContact O-CA 3.39Å; I273-S281 WeakPolarHBondContact CA-O 3.49Å; I273-S281 WeakPolarHBondContact CG2-O 3.28Å; E274-S281 WeakPolarHBondContact CB-OG 2.92Å; E274-S281 PolarHBondContact N-O 2.82Å; E274-S281 PolarHBondContact N-OG 3.01Å; E274-S281 PolarHBondContact O-N 2.93Å; E274-S281 PolarHBondContact O-OG 2.86Å
282L98.9Very high98.7Very high0 Ų055.3 Ų55.30%028%0.283CS..EExtended strand (participates in β ladder)trans-139.7130.9170.7-176.8154.2000109.4L239 A242 A243 K248 I249 L266 A271 D272 I273 M284L239-L282 HydrophobicContact CB-CD1 4.09Å; L239-L282 HydrophobicContact CD2-CB 3.75Å; L239-L282 HydrophobicContact CD2-CD1 4.22Å; A242-L282 HydrophobicContact CB-CD2 4.17Å; A243-L282 HydrophobicContact CB-CD1 4.41Å; A243-L282 HydrophobicContact CB-CD2 4.28Å; K248-L282 CarbonylContact C-O 3.31Å; K248-L282 WeakPolarHBondContact CA-O 3.49Å; K248-L282 WeakPolarHBondContact CG-O 3.33Å; I249-L282 HydrophobicContact CG2-CB 4.14Å; I249-L282 PolarHBondContact N-O 2.7Å; I249-L282 PolarHBondContact O-N 3.32Å; L266-L282 HydrophobicContact CB-CD1 4.31Å; L266-L282 HydrophobicContact CD1-CD1 3.89Å; L266-L282 HydrophobicContact CD2-CD1 4.21Å; L266-L282 HydrophobicContact CG-CD1 4.35Å; A271-L282 HydrophobicContact CB-CD1 3.85Å; A271-L282 HydrophobicContact CB-CD2 4.15Å; A271-L282 HydrophobicContact CB-CG 3.83Å; D272-L282 CarbonylContact O-C 3.42Å; D272-L282 VanDerWaalsContact O-CA 3.3Å; D272-L282 WeakPolarHBondContact O-CA 3.5Å; I273-L282 HydrophobicContact CD1-CD1 4.03Å; I273-L282 HydrophobicContact CD1-CG 4.49Å; I273-L282 HydrophobicContact CG1-CB 4.26Å; I273-L282 HydrophobicContact CG1-CD1 4.17Å; I273-L282 HydrophobicContact CG1-CG 4.09Å; L282-M284 HydrophobicContact CD2-CG 3.98Å; L282-M284 HydrophobicContact CD2-SD 4.14Å
283D98.9Very high98.7Very high23 Ų2355.2 Ų55.212%0.12328%0.282CS..EExtended strand (participates in β ladder)trans-130.2125174.7-161.1-20.6000110.7K248 D272 H285K248-D283 HydrophobicContact CB-CB 4.35Å; K248-D283 HydrophobicContact CD-CB 4.2Å; K248-D283 WeakPolarHBondContact CD-OD2 3.31Å; K248-D283 WeakPolarHBondContact CE-OD2 3.31Å; K248-D283 HydrophobicContact CG-CB 3.85Å; K248-D283 IonicContact NZ-OD2 3.22Å; K248-D283 PolarHBondContact NZ-OD2 3.45Å; D272-D283 HydrophobicContact CB-CB 4.33Å; D272-D283 WeakPolarHBondContact CB-O 3.2Å; D272-D283 PolarHBondContact N-O 2.88Å; D272-D283 PolarHBondContact O-N 3.31Å; D283-H285 IonicContact OD1-CG 3.04Å; D283-H285 PolarHBondContact OD1-N 3.16Å; D283-H285 IonicContact OD2-CE1 2.82Å
284M98.9Very high98.7Very high2 Ų254.7 Ų54.71%0.0128%0.279CS..  trans-88.2-6.2173.8-69.4-56.8-57.900113.1A243 G247 A271 L282 G286 K287 P289A243-M284 HydrophobicContact CB-CG 4.38Å; A243-M284 HydrophobicContact CB-SD 4.04Å; G247-M284 PolarHBondContact O-N 2.92Å; A271-M284 HydrophobicContact CB-SD 3.59Å; A271-M284 VanDerWaalsContact CB-SD 3.59Å; L282-M284 HydrophobicContact CD2-CG 3.98Å; L282-M284 HydrophobicContact CD2-SD 4.14Å; M284-G286 PolarHBondContact O-N 2.92Å; M284-G286 VanDerWaalsContact O-N 3.09Å; M284-K287 WeakPolarHBondContact CE-O 3.47Å; M284-K287 VanDerWaalsContact O-CB 3.27Å; M284-K287 WeakPolarHBondContact O-CB 3.45Å; M284-K287 WeakPolarHBondContact O-CG 3.36Å; M284-K287 PolarHBondContact O-N 3.23Å; M284-P289 HydrophobicContact CE-CB 3.89Å
285H98.6Very high98.7Very high111 Ų11156.4 Ų56.451%0.51428%0.281SS..THydrogen-bonded Turntrans5234.6-174.6-63.7-81.8000112.4D272 D283 K287D272-H285 IonicContact OD2-CD2 3.37Å; D272-H285 IonicContact OD2-CE1 3.09Å; D272-H285 IonicContact OD2-NE2 2.7Å; D272-H285 PolarHBondContact OD2-NE2 2.85Å; D283-H285 IonicContact OD1-CG 3.04Å; D283-H285 PolarHBondContact OD1-N 3.16Å; D283-H285 IonicContact OD2-CE1 2.82Å; H285-K287 PolarHBondContact O-N 3.36Å
286G98.1Very high98.7Very high39 Ų3953.2 Ų53.240%0.40226%0.261SS..THydrogen-bonded Turntrans69.28.6-175.900000115.6M284M284-G286 PolarHBondContact O-N 2.92Å; M284-G286 VanDerWaalsContact O-N 3.09Å
287K98.7Very high98.7Very high142 Ų14252.8 Ų52.862%0.61726%0.256SS*.PPolyproline II helixtrans-87.3148.7-177.8-53.3-54.9179.1-177.40112.1R246 M284 H285R246-K287 WeakPolarHBondContact CB-O 3.49Å; R246-K287 WeakPolarHBondContact CG-O 3.47Å; M284-K287 WeakPolarHBondContact CE-O 3.47Å; M284-K287 VanDerWaalsContact O-CB 3.27Å; M284-K287 WeakPolarHBondContact O-CB 3.45Å; M284-K287 WeakPolarHBondContact O-CG 3.36Å; M284-K287 PolarHBondContact O-N 3.23Å; H285-K287 PolarHBondContact O-N 3.36Å
288R98.7Very high98.7Very high45 Ų4546.8 Ų46.817%0.1723%0.232CC..PPolyproline II helixtrans-66.3136.1167.3-172.5177.8177.6-166.7-16.7108.4V316 A317 E318 G356 V357 E358R288-V316 PolarHBondContact NE-O 2.95Å; R288-A317 PolarHBondContact NE-O 3.38Å; R288-A317 PolarHBondContact NH2-O 2.81Å; R288-E318 IonicContact CZ-OE2 3.64Å; R288-E318 IonicContact NH1-OE2 3.19Å; R288-E318 PolarHBondContact NH1-OE2 3.36Å; R288-G356 PolarHBondContact NH2-O 3.26Å; R288-V357 VanDerWaalsContact NH2-C 3.31Å; R288-V357 PolarHBondContact NH2-O 3.17Å; R288-E358 WeakPolarHBondContact CD-OE2 3.27Å; R288-E358 IonicContact CZ-OE2 3.78Å; R288-E358 IonicContact NE-OE2 3.51Å; R288-E358 IonicContact NH1-OE2 3.22Å; R288-E358 PolarHBondContact NH1-OE2 3.16Å
289P98.9Very high98.7Very high1 Ų144.7 Ų44.71%0.00622%0.22CC..PPolyproline II helixtrans-62.8156174.525.8-32.4000110.7A269 M284 L313 A317 E318A269-P289 HydrophobicContact CB-CB 4.28Å; A269-P289 CarbonylContact O-C 3.46Å; A269-P289 VanDerWaalsContact O-CA 3.32Å; A269-P289 WeakPolarHBondContact O-CA 3.48Å; M284-P289 HydrophobicContact CE-CB 3.89Å; P289-L313 HydrophobicContact CB-CD2 4.36Å; P289-A317 HydrophobicContact CB-CB 4.27Å; P289-A317 HydrophobicContact CG-CB 4.06Å; P289-A317 CarbonylContact O-C 3.42Å; P289-A317 WeakPolarHBondContact O-CA 3.3Å; P289-A317 VanDerWaalsContact O-CB 3.31Å; P289-A317 WeakPolarHBondContact O-CB 3.45Å; P289-E318 PolarHBondContact O-N 2.83Å
290K98.9Very high98.7Very high133 Ų13344.5 Ų44.558%0.57823%0.227SC*.BIsolated β-bridgetrans-92143.5171-61.2-174.6-178.3179.50110.1A269A269-K290 WeakPolarHBondContact CA-O 3.08Å; A269-K290 WeakPolarHBondContact CB-O 3.15Å; A269-K290 PolarHBondContact O-N 3.4Å
291A98.8Very high98.7Very high23 Ų2346.2 Ų46.219%0.1924%0.242CC..PPolyproline II helixtrans-65141.2178.300000110.1A317 E318A291-A317 HydrophobicContact CB-CB 4.15Å; A291-E318 WeakPolarHBondContact CB-O 3.16Å; A291-E318 PolarHBondContact N-O 3.05Å
292V98.9Very high98.7Very high7 Ų746.3 Ų46.34%0.04224%0.241CC..  trans-128.6156.7-176.4-65.90000111.8K265 D268 A269 V294 F310 L313 N314K265-V292 HydrophobicContact CD-CB 4.49Å; D268-V292 HydrophobicContact CB-CG1 3.7Å; A269-V292 HydrophobicContact CB-CG1 3.85Å; V292-V294 HydrophobicContact CG2-CG2 4.11Å; V292-F310 HydrophobicContact CG2-CD1 4.19Å; V292-F310 HydrophobicContact CG2-CE1 4.34Å; V292-L313 HydrophobicContact CG2-CD2 4.43Å; V292-N314 WeakPolarHBondContact CG2-OD1 3.2Å; V292-N314 PolarHBondContact N-OD1 3.36Å; V292-N314 PolarHBondContact O-ND2 2.81Å; V292-N314 PolarHBondContact O-OD1 3.09Å
293N98.8Very high98.7Very high71 Ų7147 Ų4738%0.3825%0.245SC..  trans-100.1126.4176.5-69.3-19.5000110.1K265 G321 F322K265-N293 WeakPolarHBondContact CD-O 3.14Å; K265-N293 WeakPolarHBondContact CE-O 3.4Å; K265-N293 PolarHBondContact NZ-O 3.13Å; N293-G321 WeakPolarHBondContact OD1-CA 3.42Å; N293-F322 WeakPolarHBondContact CA-O 3.42Å; N293-F322 HydrophobicContact CB-CD1 3.98Å; N293-F322 HydrophobicContact CB-CD2 4.08Å; N293-F322 HydrophobicContact CB-CE1 3.55Å; N293-F322 HydrophobicContact CB-CE2 3.63Å; N293-F322 HydrophobicContact CB-CG 4.24Å; N293-F322 HydrophobicContact CB-CZ 3.36Å; N293-F322 VanDerWaalsContact CG-CZ 3.43Å; N293-F322 WeakPolarHBondContact ND2-CE1 3.41Å; N293-F322 WeakPolarHBondContact OD1-CD1 3.22Å; N293-F322 VanDerWaalsContact OD1-CE1 3.27Å; N293-F322 WeakPolarHBondContact OD1-CE1 3.21Å; N293-F322 PolarHBondContact OD1-N 3.37Å
294V98.6Very high98.6Very high2 Ų246.7 Ų46.71%0.01224%0.244CC..EExtended strand (participates in β ladder)trans-130.6137.1-175.6179.50000109.9K265 V292 F302 F310 F322 I323 T324K265-V294 HydrophobicContact CD-CG2 4.11Å; K265-V294 HydrophobicContact CG-CG2 4.32Å; V292-V294 HydrophobicContact CG2-CG2 4.11Å; V294-F302 HydrophobicContact CG1-CB 4.04Å; V294-F302 HydrophobicContact CG1-CD1 3.26Å; V294-F302 HydrophobicContact CG1-CD2 3.81Å; V294-F302 HydrophobicContact CG1-CE1 3.56Å; V294-F302 HydrophobicContact CG1-CE2 4.05Å; V294-F302 HydrophobicContact CG1-CG 3.41Å; V294-F302 VanDerWaalsContact CG1-CG 3.41Å; V294-F302 HydrophobicContact CG1-CZ 3.94Å; V294-F302 HydrophobicContact CG2-CE2 4.42Å; V294-F310 HydrophobicContact CG2-CD1 3.99Å; V294-F322 PolarHBondContact N-O 2.88Å; V294-I323 HydrophobicContact CB-CD1 3.66Å; V294-I323 HydrophobicContact CG1-CD1 4.49Å; V294-I323 HydrophobicContact CG2-CD1 3.78Å; V294-I323 WeakPolarHBondContact O-CA 3.25Å; V294-T324 PolarHBondContact O-N 3.49Å
295R98.8Very high98.6Very high152 Ų15247.8 Ų47.857%0.57425%0.25SS*.EExtended strand (participates in β ladder)trans-127.9118.6168-177.1-179.6-176.5-78.13.3108.3T324 T326R295-T324 WeakPolarHBondContact CA-O 3.31Å; R295-T324 HydrophobicContact CG-CG2 4.23Å; R295-T326 HydrophobicContact CG-CG2 4.01Å
296T98.8Very high98.6Very high0 Ų042.5 Ų42.50%023%0.226CC..BIsolated β-bridgetrans-71.4148.6176.4630000110.4F302 Q307 T324 E325 T326T296-F302 VanDerWaalsContact CA-O 3.24Å; T296-F302 WeakPolarHBondContact CA-O 3.41Å; T296-F302 HydrophobicContact CG2-CD1 4.19Å; T296-Q307 HydrophobicContact CG2-CB 3.96Å; T296-Q307 HydrophobicContact CG2-CG 4.02Å; T296-T324 PolarHBondContact N-O 3.37Å; T296-T324 PolarHBondContact OG1-O 3.25Å; T296-E325 VanDerWaalsContact OG1-CA 3.29Å; T296-E325 WeakPolarHBondContact OG1-CA 3.47Å; T296-E325 PolarHBondContact OG1-OE1 3.38Å; T296-T326 PolarHBondContact O-OG1 3.39Å; T296-T326 PolarHBondContact OG1-N 2.93Å
297A98.3Very high98.6Very high17 Ų1740.7 Ų40.714%0.1421%0.207CC..  trans-164.9171.1171.900000109.3A301 F302A297-A301 HydrophobicContact CB-CB 3.56Å; A297-F302 PolarHBondContact N-O 3.21Å; A297-F302 VanDerWaalsContact N-O 3.14Å
298P98Very high98.6Very high53 Ų5334 Ų3434%0.34418%0.178SC..SBendtrans-55.1152172.1-25.735.3000113.1V161 A301V161-P298 HydrophobicContact CB-CB 4.38Å; V161-P298 HydrophobicContact CB-CG 3.98Å; V161-P298 HydrophobicContact CG1-CB 3.79Å; V161-P298 HydrophobicContact CG1-CG 3.91Å; V161-P298 HydrophobicContact CG2-CG 4.45Å; P298-A301 VanDerWaalsContact O-CB 3.25Å; P298-A301 WeakPolarHBondContact O-CB 3.4Å; P298-A301 PolarHBondContact O-N 2.97Å; P298-A301 VanDerWaalsContact O-N 3.1Å
299H98.7Very high98.6Very high39 Ų3931.9 Ų31.918%0.18117%0.17CC..THydrogen-bonded Turntrans-55.1140.7179.9-170.982.2000111.6R187 E188R187-H299 PolarHBondContact O-CD2 3.26Å; E188-H299 HydrophobicContact CB-CB 4.4Å; E188-H299 HydrophobicContact CG-CB 3.84Å; E188-H299 WeakPolarHBondContact OE1-CB 3.38Å; E188-H299 PolarHBondContact OE1-N 3.4Å
300P98.5Very high98.6Very high64 Ų6431.9 Ų31.942%0.41617%0.17SC..THydrogen-bonded Turncis-87.712.511.636.9-37.9000115.8
301A98.7Very high98.6Very high37 Ų3725.5 Ų25.531%0.30614%0.142SC..SBendtrans-69.5177.4176.300000112.4A297 P298A297-A301 HydrophobicContact CB-CB 3.56Å; P298-A301 VanDerWaalsContact O-CB 3.25Å; P298-A301 WeakPolarHBondContact O-CB 3.4Å; P298-A301 PolarHBondContact O-N 2.97Å; P298-A301 VanDerWaalsContact O-N 3.1Å
302F98.8Very high98.6Very high11 Ų1124.4 Ų24.45%0.04813%0.133CC..BIsolated β-bridgetrans-61.5125.4-179-170.4-80.9000111.1A261 V262 K265 V294 T296 A297 M306 F310A261-F302 HydrophobicContact CB-CB 4.34Å; V262-F302 HydrophobicContact CG2-CD2 4.34Å; V262-F302 HydrophobicContact CG2-CE2 4.07Å; K265-F302 HydrophobicContact CB-CD2 4.48Å; K265-F302 HydrophobicContact CB-CE2 4.28Å; K265-F302 HydrophobicContact CG-CD2 4.05Å; K265-F302 HydrophobicContact CG-CE2 4.31Å; V294-F302 HydrophobicContact CG1-CB 4.04Å; V294-F302 HydrophobicContact CG1-CD1 3.26Å; V294-F302 HydrophobicContact CG1-CD2 3.81Å; V294-F302 HydrophobicContact CG1-CE1 3.56Å; V294-F302 HydrophobicContact CG1-CE2 4.05Å; V294-F302 HydrophobicContact CG1-CG 3.41Å; V294-F302 VanDerWaalsContact CG1-CG 3.41Å; V294-F302 HydrophobicContact CG1-CZ 3.94Å; V294-F302 HydrophobicContact CG2-CE2 4.42Å; T296-F302 VanDerWaalsContact CA-O 3.24Å; T296-F302 WeakPolarHBondContact CA-O 3.41Å; T296-F302 HydrophobicContact CG2-CD1 4.19Å; A297-F302 PolarHBondContact N-O 3.21Å; A297-F302 VanDerWaalsContact N-O 3.14Å; F302-M306 HydrophobicContact CE1-CB 3.8Å; F302-M306 HydrophobicContact CZ-CB 3.76Å; F302-F310 HydrophobicContact CE1-CG 4.49Å; F302-F310 HydrophobicContact CE2-CD1 4.01Å; F302-F310 HydrophobicContact CE2-CD2 4.01Å; F302-F310 AromaticContact CE2-CE1 3.86Å; F302-F310 HydrophobicContact CE2-CE1 3.86Å; F302-F310 AromaticContact CE2-CE2 3.82Å; F302-F310 HydrophobicContact CE2-CE2 3.82Å; F302-F310 HydrophobicContact CE2-CG 4.05Å; F302-F310 AromaticContact CE2-CZ 3.71Å; F302-F310 HydrophobicContact CE2-CZ 3.71Å; F302-F310 HydrophobicContact CZ-CB 4.01Å; F302-F310 AromaticContact CZ-CD1 3.91Å; F302-F310 HydrophobicContact CZ-CD1 3.91Å; F302-F310 AromaticContact CZ-CD2 3.43Å; F302-F310 HydrophobicContact CZ-CD2 3.43Å; F302-F310 VanDerWaalsContact CZ-CD2 3.43Å; F302-F310 HydrophobicContact CZ-CE1 4.17Å; F302-F310 AromaticContact CZ-CE2 3.69Å; F302-F310 HydrophobicContact CZ-CE2 3.69Å; F302-F310 AromaticContact CZ-CG 3.49Å; F302-F310 HydrophobicContact CZ-CG 3.49Å; F302-F310 VanDerWaalsContact CZ-CG 3.49Å; F302-F310 HydrophobicContact CZ-CZ 4.02Å
303P98.6Very high98.6Very high15 Ų1524.1 Ų24.110%0.09713%0.131CC..  trans-78.2133.4-171.229-32.5000112.2I233 V262 D305 M306I233-P303 HydrophobicContact CD1-CB 4.36Å; I233-P303 HydrophobicContact CD1-CG 4.31Å; V262-P303 HydrophobicContact CG2-CG 3.85Å; P303-D305 PolarHBondContact O-N 3.05Å; P303-D305 VanDerWaalsContact O-N 3.08Å; P303-M306 HydrophobicContact CG-CB 4.06Å; P303-M306 HydrophobicContact CG-CG 3.98Å; P303-M306 PolarHBondContact O-N 3.45Å
304T98.2Very high98.6Very high16 Ų1620.7 Ų20.710%0.09811%0.113CC..G310 helixtrans-55.7-25.5173.2177.20000113.2M306 Q307 E325 V327 F328 R331T304-M306 PolarHBondContact O-N 3.48Å; T304-Q307 WeakPolarHBondContact O-CB 3.09Å; T304-Q307 PolarHBondContact O-N 3.12Å; T304-Q307 VanDerWaalsContact O-N 3.13Å; T304-E325 WeakPolarHBondContact CB-OE2 3.48Å; T304-E325 PolarHBondContact OG1-OE1 2.84Å; T304-E325 VanDerWaalsContact OG1-OE1 3.1Å; T304-E325 PolarHBondContact OG1-OE2 2.75Å; T304-V327 HydrophobicContact CG2-CB 3.82Å; T304-V327 HydrophobicContact CG2-CG1 3.85Å; T304-V327 HydrophobicContact CG2-CG2 4.02Å; T304-F328 HydrophobicContact CG2-CD2 3.99Å; T304-F328 HydrophobicContact CG2-CE2 3.88Å; T304-R331 VanDerWaalsContact CG2-NH1 3.28Å; T304-R331 PolarHBondContact O-NH1 3.23Å; T304-R331 WeakPolarHBondContact OG1-CD 3.48Å; T304-R331 PolarHBondContact OG1-NH1 2.84Å
305D98.1Very high98.6Very high26 Ų2620.7 Ų20.714%0.13911%0.113CC..G310 helixtrans-71.9-11.6176.7-96.428.2000114.6I233 P303 Q309 R331 R371I233-D305 HydrophobicContact CD1-CB 3.54Å; I233-D305 HydrophobicContact CG1-CB 3.81Å; I233-D305 HydrophobicContact CG2-CB 4.07Å; I233-D305 WeakPolarHBondContact CG2-O 3.41Å; P303-D305 PolarHBondContact O-N 3.05Å; P303-D305 VanDerWaalsContact O-N 3.08Å; D305-Q309 PolarHBondContact O-NE2 3.42Å; D305-Q309 PolarHBondContact O-OE1 2.93Å; D305-R331 IonicContact OD1-CZ 3.02Å; D305-R331 VanDerWaalsContact OD1-CZ 3.32Å; D305-R331 IonicContact OD1-NH1 3.78Å; D305-R331 PolarHBondContact OD1-NH1 3.41Å; D305-R331 IonicContact OD1-NH2 2.71Å; D305-R331 PolarHBondContact OD1-NH2 3.37Å; D305-R371 IonicContact OD2-CZ 3.56Å; D305-R371 IonicContact OD2-NE 3.6Å; D305-R371 PolarHBondContact OD2-NE 2.63Å; D305-R371 VanDerWaalsContact OD2-NE 3.17Å; D305-R371 IonicContact OD2-NH2 3.69Å; D305-R371 PolarHBondContact OD2-NH2 2.9Å
306M98.8Very high98.6Very high0 Ų013.8 Ų13.80%09%0.088CC..G310 helixtrans-102-1.4170.6-77.9-58.7-59.900113.4I233 G236 V240 V262 F302 P303 T304 A308 Q309 F310I233-M306 HydrophobicContact CD1-CG 4.11Å; I233-M306 HydrophobicContact CG2-SD 4.12Å; G236-M306 VanDerWaalsContact O-CE 3.24Å; G236-M306 WeakPolarHBondContact O-CE 3.44Å; V240-M306 HydrophobicContact CG2-CE 3.62Å; V262-M306 HydrophobicContact CG1-CE 4.49Å; V262-M306 HydrophobicContact CG2-CB 4.48Å; V262-M306 HydrophobicContact CG2-CG 4.1Å; F302-M306 HydrophobicContact CE1-CB 3.8Å; F302-M306 HydrophobicContact CZ-CB 3.76Å; P303-M306 HydrophobicContact CG-CB 4.06Å; P303-M306 HydrophobicContact CG-CG 3.98Å; P303-M306 PolarHBondContact O-N 3.45Å; T304-M306 PolarHBondContact O-N 3.48Å; M306-A308 PolarHBondContact O-N 3.28Å; M306-Q309 VanDerWaalsContact CA-OE1 3.31Å; M306-Q309 HydrophobicContact CE-CB 3.93Å; M306-Q309 HydrophobicContact CE-CG 4.38Å; M306-Q309 PolarHBondContact O-N 3.01Å; M306-Q309 PolarHBondContact O-OE1 3.14Å; M306-F310 HydrophobicContact CB-CD2 4.44Å; M306-F310 HydrophobicContact CE-CD2 3.89Å; M306-F310 HydrophobicContact CE-CE2 3.79Å; M306-F310 PolarHBondContact O-N 3.35Å
307Q98.6Very high98.6Very high0 Ų013.8 Ų13.80%09%0.088CC..Hα-helixtrans-59.8-49.7-173.2-179.2-102.861.700111.7T296 T304 Q309 F310 T311 I323 E325 R331 F332 H334T296-Q307 HydrophobicContact CG2-CB 3.96Å; T296-Q307 HydrophobicContact CG2-CG 4.02Å; T304-Q307 WeakPolarHBondContact O-CB 3.09Å; T304-Q307 PolarHBondContact O-N 3.12Å; T304-Q307 VanDerWaalsContact O-N 3.13Å; Q307-Q309 VanDerWaalsContact C-N 3.3Å; Q307-Q309 PolarHBondContact O-N 3.44Å; Q307-F310 PolarHBondContact O-N 3.02Å; Q307-T311 PolarHBondContact O-N 3.23Å; Q307-T311 PolarHBondContact O-OG1 3.31Å; Q307-T311 VanDerWaalsContact O-OG1 3.1Å; Q307-I323 HydrophobicContact CG-CG2 3.58Å; Q307-E325 PolarHBondContact NE2-OE2 3.12Å; Q307-R331 PolarHBondContact NE2-O 2.63Å; Q307-R331 PolarHBondContact OE1-O 2.99Å; Q307-F332 HydrophobicContact CG-CE1 4.43Å; Q307-H334 PolarHBondContact OE1-CE1 2.97Å; Q307-H334 PolarHBondContact OE1-NE2 3.08Å
308A98.2Very high98.6Very high3 Ų318.5 Ų18.53%0.02511%0.107CC..Hα-helixtrans-67.1-34-175.400000112.4M306 L312 H334 S375M306-A308 PolarHBondContact O-N 3.28Å; A308-L312 PolarHBondContact O-N 2.93Å; A308-H334 WeakPolarHBondContact CA-NE2 3.48Å; A308-S375 WeakPolarHBondContact CB-OG 3.36Å; A308-S375 PolarHBondContact O-OG 3.14Å
309Q98.7Very high98.7Very high0 Ų017.6 Ų17.60%011%0.107CC..Hα-helixtrans-70.1-39.3178-58.291-43.600110.2T237 V240 D305 M306 Q307 L312 L313 S375T237-Q309 HydrophobicContact CG2-CG 4.35Å; T237-Q309 PolarHBondContact OG1-NE2 2.96Å; T237-Q309 VanDerWaalsContact OG1-NE2 3.14Å; V240-Q309 HydrophobicContact CB-CB 4.4Å; V240-Q309 HydrophobicContact CG1-CB 4.16Å; V240-Q309 WeakPolarHBondContact CG1-O 3.44Å; V240-Q309 HydrophobicContact CG2-CB 4.29Å; D305-Q309 PolarHBondContact O-NE2 3.42Å; D305-Q309 PolarHBondContact O-OE1 2.93Å; M306-Q309 VanDerWaalsContact CA-OE1 3.31Å; M306-Q309 HydrophobicContact CE-CB 3.93Å; M306-Q309 HydrophobicContact CE-CG 4.38Å; M306-Q309 PolarHBondContact O-N 3.01Å; M306-Q309 PolarHBondContact O-OE1 3.14Å; Q307-Q309 VanDerWaalsContact C-N 3.3Å; Q307-Q309 PolarHBondContact O-N 3.44Å; Q309-L312 WeakPolarHBondContact O-CB 3.35Å; Q309-L312 PolarHBondContact O-N 2.8Å; Q309-L313 PolarHBondContact O-N 3.43Å; Q309-S375 WeakPolarHBondContact CA-OG 3.47Å; Q309-S375 PolarHBondContact N-OG 2.91Å; Q309-S375 VanDerWaalsContact N-OG 3.11Å
310F98.8Very high98.7Very high0 Ų019.7 Ų19.70%012%0.123CC..Hα-helixtrans-74.6-28.9175.5-94.3-107.8000113.9V240 V262 K265 L266 V292 V294 F302 M306 Q307 L312 L313 N314 I323V240-F310 HydrophobicContact CG2-CD2 3.79Å; V240-F310 HydrophobicContact CG2-CE2 3.61Å; V240-F310 HydrophobicContact CG2-CZ 4.48Å; V262-F310 HydrophobicContact CG1-CE2 3.92Å; V262-F310 HydrophobicContact CG1-CZ 4.09Å; K265-F310 HydrophobicContact CB-CE1 3.61Å; K265-F310 HydrophobicContact CB-CZ 4.08Å; L266-F310 HydrophobicContact CD2-CE2 4.46Å; L266-F310 HydrophobicContact CD2-CZ 3.92Å; L266-F310 HydrophobicContact CG-CZ 3.86Å; V292-F310 HydrophobicContact CG2-CD1 4.19Å; V292-F310 HydrophobicContact CG2-CE1 4.34Å; V294-F310 HydrophobicContact CG2-CD1 3.99Å; F302-F310 HydrophobicContact CE1-CG 4.49Å; F302-F310 HydrophobicContact CE2-CD1 4.01Å; F302-F310 HydrophobicContact CE2-CD2 4.01Å; F302-F310 AromaticContact CE2-CE1 3.86Å; F302-F310 HydrophobicContact CE2-CE1 3.86Å; F302-F310 AromaticContact CE2-CE2 3.82Å; F302-F310 HydrophobicContact CE2-CE2 3.82Å; F302-F310 HydrophobicContact CE2-CG 4.05Å; F302-F310 AromaticContact CE2-CZ 3.71Å; F302-F310 HydrophobicContact CE2-CZ 3.71Å; F302-F310 HydrophobicContact CZ-CB 4.01Å; F302-F310 AromaticContact CZ-CD1 3.91Å; F302-F310 HydrophobicContact CZ-CD1 3.91Å; F302-F310 AromaticContact CZ-CD2 3.43Å; F302-F310 HydrophobicContact CZ-CD2 3.43Å; F302-F310 VanDerWaalsContact CZ-CD2 3.43Å; F302-F310 HydrophobicContact CZ-CE1 4.17Å; F302-F310 AromaticContact CZ-CE2 3.69Å; F302-F310 HydrophobicContact CZ-CE2 3.69Å; F302-F310 AromaticContact CZ-CG 3.49Å; F302-F310 HydrophobicContact CZ-CG 3.49Å; F302-F310 VanDerWaalsContact CZ-CG 3.49Å; F302-F310 HydrophobicContact CZ-CZ 4.02Å; M306-F310 HydrophobicContact CB-CD2 4.44Å; M306-F310 HydrophobicContact CE-CD2 3.89Å; M306-F310 HydrophobicContact CE-CE2 3.79Å; M306-F310 PolarHBondContact O-N 3.35Å; Q307-F310 PolarHBondContact O-N 3.02Å; F310-L312 VanDerWaalsContact C-N 3.33Å; F310-L313 PolarHBondContact O-N 3.08Å; F310-N314 PolarHBondContact O-N 3.31Å; F310-I323 HydrophobicContact CB-CD1 4.16Å
311T98.8Very high98.7Very high0 Ų016.7 Ų16.70%010%0.104CC..Hα-helixtrans-57.5-49.6167.2-58.80000110.1Q307 L313 N314 L315 H334 V335 V352Q307-T311 PolarHBondContact O-N 3.23Å; Q307-T311 PolarHBondContact O-OG1 3.31Å; Q307-T311 VanDerWaalsContact O-OG1 3.1Å; T311-L313 VanDerWaalsContact C-N 3.32Å; T311-L313 PolarHBondContact O-N 3.13Å; T311-N314 PolarHBondContact O-N 2.73Å; T311-L315 HydrophobicContact CG2-CD1 3.77Å; T311-L315 HydrophobicContact CG2-CG 4.41Å; T311-L315 VanDerWaalsContact O-CG 3.24Å; T311-L315 WeakPolarHBondContact O-CG 3.47Å; T311-L315 PolarHBondContact O-N 3.36Å; T311-H334 WeakPolarHBondContact CB-NE2 3.34Å; T311-H334 PolarHBondContact OG1-NE2 3Å; T311-V335 HydrophobicContact CG2-CG2 4.08Å; T311-V352 HydrophobicContact CG2-CG1 4.21Å
312L98.8Very high98.7Very high0 Ų019 Ų190%011%0.107CC..Hα-helixtrans-57.7-45.4174.8170.662.5000111.6I244 A308 Q309 F310 N314 L315 V316 L338 L360 S375 L378 A379I244-L312 HydrophobicContact CD1-CD2 3.51Å; I244-L312 HydrophobicContact CD1-CG 4.02Å; A308-L312 PolarHBondContact O-N 2.93Å; Q309-L312 WeakPolarHBondContact O-CB 3.35Å; Q309-L312 PolarHBondContact O-N 2.8Å; F310-L312 VanDerWaalsContact C-N 3.33Å; L312-N314 PolarHBondContact O-N 2.97Å; L312-L315 PolarHBondContact O-N 3.47Å; L312-V316 HydrophobicContact CD1-CG1 4.43Å; L312-V316 PolarHBondContact O-N 2.99Å; L312-L338 HydrophobicContact CB-CD1 4.41Å; L312-L338 HydrophobicContact CD1-CD2 3.98Å; L312-L360 HydrophobicContact CD1-CD1 3.89Å; L312-S375 WeakPolarHBondContact CD2-O 3.34Å; L312-L378 HydrophobicContact CD2-CB 3.7Å; L312-A379 HydrophobicContact CD1-CB 3.73Å; L312-A379 HydrophobicContact CD2-CB 4.02Å
313L98.9Very high98.7Very high0 Ų018.5 Ų18.50%011%0.105CC..Hα-helixtrans-54.4-51.5177.4-176153.4000111.5V240 A243 I244 L266 A269 P289 V292 Q309 F310 T311 L315 V316 A317V240-L313 HydrophobicContact CG1-CB 4.32Å; V240-L313 HydrophobicContact CG1-CD1 4.46Å; V240-L313 HydrophobicContact CG2-CD1 4.39Å; A243-L313 HydrophobicContact CB-CD1 4.15Å; I244-L313 HydrophobicContact CG2-CB 3.87Å; I244-L313 HydrophobicContact CG2-CD1 4.48Å; I244-L313 HydrophobicContact CG2-CG 4.08Å; L266-L313 HydrophobicContact CD2-CD1 3.81Å; A269-L313 HydrophobicContact CB-CD2 4.19Å; P289-L313 HydrophobicContact CB-CD2 4.36Å; V292-L313 HydrophobicContact CG2-CD2 4.43Å; Q309-L313 PolarHBondContact O-N 3.43Å; F310-L313 PolarHBondContact O-N 3.08Å; T311-L313 VanDerWaalsContact C-N 3.32Å; T311-L313 PolarHBondContact O-N 3.13Å; L313-L315 VanDerWaalsContact C-N 3.32Å; L313-L315 PolarHBondContact O-N 3.25Å; L313-V316 PolarHBondContact O-N 3.4Å; L313-A317 HydrophobicContact CD2-CB 4.44Å; L313-A317 VanDerWaalsContact O-CB 3.23Å; L313-A317 WeakPolarHBondContact O-CB 3.24Å; L313-A317 PolarHBondContact O-N 3.28Å
314N98.9Very high98.7Very high0 Ų018.8 Ų18.80%011%0.106CC..Hα-helixtrans-61.8-38.3178.4-85.3-6.3000112.8V292 F310 T311 L312 V316 A317 I323 C354 G356V292-N314 WeakPolarHBondContact CG2-OD1 3.2Å; V292-N314 PolarHBondContact N-OD1 3.36Å; V292-N314 PolarHBondContact O-ND2 2.81Å; V292-N314 PolarHBondContact O-OD1 3.09Å; F310-N314 PolarHBondContact O-N 3.31Å; T311-N314 PolarHBondContact O-N 2.73Å; L312-N314 PolarHBondContact O-N 2.97Å; N314-V316 PolarHBondContact O-N 2.93Å; N314-A317 PolarHBondContact O-N 3.29Å; N314-I323 WeakPolarHBondContact ND2-CD1 3.45Å; N314-C354 HydrophobicContact CB-CB 3.59Å; N314-G356 WeakPolarHBondContact O-CA 3.24Å
315L98.9Very high98.7Very high1 Ų118.2 Ų18.21%0.00510%0.102CC..Hα-helixtrans-68.5-13.3-178.7-69.6168.2000113.9T311 L312 L313 L338 A343 H344 A345 C354 G356 V357T311-L315 HydrophobicContact CG2-CD1 3.77Å; T311-L315 HydrophobicContact CG2-CG 4.41Å; T311-L315 VanDerWaalsContact O-CG 3.24Å; T311-L315 WeakPolarHBondContact O-CG 3.47Å; T311-L315 PolarHBondContact O-N 3.36Å; L312-L315 PolarHBondContact O-N 3.47Å; L313-L315 VanDerWaalsContact C-N 3.32Å; L313-L315 PolarHBondContact O-N 3.25Å; L315-L338 HydrophobicContact CD1-CB 4.11Å; L315-L338 HydrophobicContact CD1-CD1 3.74Å; L315-A343 HydrophobicContact CB-CB 4.15Å; L315-A343 HydrophobicContact CD1-CB 3.93Å; L315-A343 HydrophobicContact CD2-CB 4.08Å; L315-A343 HydrophobicContact CG-CB 4.26Å; L315-H344 WeakPolarHBondContact CD2-O 3.43Å; L315-A345 HydrophobicContact CD2-CB 3.79Å; L315-C354 HydrophobicContact CD2-CB 3.68Å; L315-C354 HydrophobicContact CG-CB 4.08Å; L315-G356 WeakPolarHBondContact O-CA 3.34Å; L315-V357 WeakPolarHBondContact O-CG2 3.39Å; L315-V357 PolarHBondContact O-N 2.63Å
316V98.8Very high98.6Very high8 Ų819.5 Ų19.55%0.04811%0.111CC..Hα-helixtrans-119.24.9172.5-56.10000113.4I244 R288 L312 L313 N314 V357 L360 I382I244-V316 HydrophobicContact CB-CG2 3.91Å; I244-V316 HydrophobicContact CG2-CG2 4.02Å; R288-V316 PolarHBondContact NE-O 2.95Å; L312-V316 HydrophobicContact CD1-CG1 4.43Å; L312-V316 PolarHBondContact O-N 2.99Å; L313-V316 PolarHBondContact O-N 3.4Å; N314-V316 PolarHBondContact O-N 2.93Å; V316-V357 WeakPolarHBondContact CA-O 3.17Å; V316-L360 HydrophobicContact CG1-CD1 3.92Å; V316-L360 HydrophobicContact CG1-CD2 4.29Å; V316-L360 HydrophobicContact CG1-CG 3.84Å; V316-I382 HydrophobicContact CB-CD1 4.3Å; V316-I382 HydrophobicContact CG1-CD1 3.85Å; V316-I382 HydrophobicContact CG2-CD1 3.94Å
317A98.8Very high98.5Very high0 Ų022.3 Ų22.30%013%0.129CC..SBendtrans-85.9163.5178.900000112.2R288 P289 A291 L313 N314 G356R288-A317 PolarHBondContact NE-O 3.38Å; R288-A317 PolarHBondContact NH2-O 2.81Å; P289-A317 HydrophobicContact CB-CB 4.27Å; P289-A317 HydrophobicContact CG-CB 4.06Å; P289-A317 CarbonylContact O-C 3.42Å; P289-A317 WeakPolarHBondContact O-CA 3.3Å; P289-A317 VanDerWaalsContact O-CB 3.31Å; P289-A317 WeakPolarHBondContact O-CB 3.45Å; A291-A317 HydrophobicContact CB-CB 4.15Å; L313-A317 HydrophobicContact CD2-CB 4.44Å; L313-A317 VanDerWaalsContact O-CB 3.23Å; L313-A317 WeakPolarHBondContact O-CB 3.24Å; L313-A317 PolarHBondContact O-N 3.28Å; N314-A317 PolarHBondContact O-N 3.29Å; A317-G356 VanDerWaalsContact O-CA 3.24Å; A317-G356 WeakPolarHBondContact O-CA 3.47Å
318E98.8Very high98.3Very high116 Ų11624.4 Ų24.454%0.54214%0.138SC..BIsolated β-bridgetrans-74.8125.4173.8-178.556.5-128.700110.7R288 P289 A291R288-E318 IonicContact CZ-OE2 3.64Å; R288-E318 IonicContact NH1-OE2 3.19Å; R288-E318 PolarHBondContact NH1-OE2 3.36Å; P289-E318 PolarHBondContact O-N 2.83Å; A291-E318 WeakPolarHBondContact CB-O 3.16Å; A291-E318 PolarHBondContact N-O 3.05Å
319G98.5Very high97.9Very high34 Ų3430.4 Ų30.435%0.35117%0.165SC..SBendtrans94.7-160.617800000115.2G356G319-G356 PolarHBondContact O-N 2.87Å
320T98.8Very high97.5Very high82 Ų8234.4 Ų34.450%0.50319%0.187SC..EExtended strand (participates in β ladder)trans-114.8135.9-179.6-580000109.6I353 C354 H355T320-I353 HydrophobicContact CG2-CG2 3.91Å; T320-C354 VanDerWaalsContact CA-O 3.3Å; T320-C354 WeakPolarHBondContact CA-O 3.45Å; T320-H355 PolarHBondContact OG1-ND1 3.48Å
321G98.7Very high97.3Very high2 Ų234.9 Ų34.92%0.02119%0.189CC..EExtended strand (participates in β ladder)trans-140.7155.3175.200000111.3N293 C354N293-G321 WeakPolarHBondContact OD1-CA 3.42Å; G321-C354 PolarHBondContact N-O 3.4Å; G321-C354 WeakPolarHBondContact O-CB 3.27Å; G321-C354 PolarHBondContact O-N 3.35Å
322F98.5Very high97.2Very high86 Ų8635.9 Ų35.938%0.37719%0.193SC..EExtended strand (participates in β ladder)trans-112.8145.9178.460.1-103.6000112.5N293 V294 T351 V352N293-F322 WeakPolarHBondContact CA-O 3.42Å; N293-F322 HydrophobicContact CB-CD1 3.98Å; N293-F322 HydrophobicContact CB-CD2 4.08Å; N293-F322 HydrophobicContact CB-CE1 3.55Å; N293-F322 HydrophobicContact CB-CE2 3.63Å; N293-F322 HydrophobicContact CB-CG 4.24Å; N293-F322 HydrophobicContact CB-CZ 3.36Å; N293-F322 VanDerWaalsContact CG-CZ 3.43Å; N293-F322 WeakPolarHBondContact ND2-CE1 3.41Å; N293-F322 WeakPolarHBondContact OD1-CD1 3.22Å; N293-F322 VanDerWaalsContact OD1-CE1 3.27Å; N293-F322 WeakPolarHBondContact OD1-CE1 3.21Å; N293-F322 PolarHBondContact OD1-N 3.37Å; V294-F322 PolarHBondContact N-O 2.88Å; F322-T351 HydrophobicContact CB-CG2 3.87Å; F322-V352 WeakPolarHBondContact CA-O 3.37Å
323I98.8Very high97Very high0 Ų039.6 Ų39.60%021%0.211CC..EExtended strand (participates in β ladder)trans-121.5110.1171.1-50.8-66.8000108.5V294 Q307 F310 N314 F332 T351 V352V294-I323 HydrophobicContact CB-CD1 3.66Å; V294-I323 HydrophobicContact CG1-CD1 4.49Å; V294-I323 HydrophobicContact CG2-CD1 3.78Å; V294-I323 WeakPolarHBondContact O-CA 3.25Å; Q307-I323 HydrophobicContact CG-CG2 3.58Å; F310-I323 HydrophobicContact CB-CD1 4.16Å; N314-I323 WeakPolarHBondContact ND2-CD1 3.45Å; I323-F332 HydrophobicContact CG2-CE1 4.44Å; I323-F332 WeakPolarHBondContact O-CZ 3.09Å; I323-T351 WeakPolarHBondContact O-CA 3.28Å; I323-V352 HydrophobicContact CB-CG1 3.65Å; I323-V352 HydrophobicContact CG1-CG1 4.14Å; I323-V352 HydrophobicContact CG2-CG1 4.5Å; I323-V352 PolarHBondContact N-O 3.2Å; I323-V352 PolarHBondContact O-N 3.21Å
324T98.7Very high96.9Very high20 Ų2039.7 Ų39.712%0.12321%0.212CC..EExtended strand (participates in β ladder)trans-98.4116.5176.1-56.60000110.4V294 R295 T296 T326 N350 T351V294-T324 PolarHBondContact O-N 3.49Å; R295-T324 WeakPolarHBondContact CA-O 3.31Å; R295-T324 HydrophobicContact CG-CG2 4.23Å; T296-T324 PolarHBondContact N-O 3.37Å; T296-T324 PolarHBondContact OG1-O 3.25Å; T324-T326 HydrophobicContact CG2-CG2 3.89Å; T324-N350 WeakPolarHBondContact CA-O 3.41Å; T324-T351 WeakPolarHBondContact CG2-OG1 3.35Å; T324-T351 PolarHBondContact OG1-OG1 3.37Å
325E98.2Very high96.8Very high4 Ų439.9 Ų39.92%0.01921%0.213CC..  trans-91.7122.1176.1176.958.7-114.200110.2T296 T304 Q307 V327 F328 R331 F332 N350T296-E325 VanDerWaalsContact OG1-CA 3.29Å; T296-E325 WeakPolarHBondContact OG1-CA 3.47Å; T296-E325 PolarHBondContact OG1-OE1 3.38Å; T304-E325 WeakPolarHBondContact CB-OE2 3.48Å; T304-E325 PolarHBondContact OG1-OE1 2.84Å; T304-E325 VanDerWaalsContact OG1-OE1 3.1Å; T304-E325 PolarHBondContact OG1-OE2 2.75Å; Q307-E325 PolarHBondContact NE2-OE2 3.12Å; E325-V327 WeakPolarHBondContact OE1-CA 3.41Å; E325-V327 VanDerWaalsContact OE1-CB 3.3Å; E325-V327 WeakPolarHBondContact OE1-CB 3.33Å; E325-V327 PolarHBondContact OE1-N 3.1Å; E325-F328 WeakPolarHBondContact CG-O 3.49Å; E325-F328 PolarHBondContact OE1-N 2.84Å; E325-R331 HydrophobicContact CG-CB 4.25Å; E325-F332 HydrophobicContact CB-CE1 4.27Å; E325-F332 HydrophobicContact CB-CE2 4.19Å; E325-F332 HydrophobicContact CB-CZ 3.7Å; E325-N350 PolarHBondContact N-O 3.46Å; E325-N350 WeakPolarHBondContact O-CB 3.5Å; E325-N350 PolarHBondContact O-ND2 2.94Å
326T97.6Very high96.7Very high53 Ų5343 Ų4333%0.32523%0.233SC..  trans-123.2-6.2-17778.10000113.7R295 T296 T324R295-T326 HydrophobicContact CG-CG2 4.01Å; T296-T326 PolarHBondContact O-OG1 3.39Å; T296-T326 PolarHBondContact OG1-N 2.93Å; T324-T326 HydrophobicContact CG2-CG2 3.89Å
327V96.1Very high96.7Very high60 Ų6044.1 Ų44.136%0.36424%0.238SC..SBendtrans-95.6-38.4-178.3-173.20000111T304 E325T304-V327 HydrophobicContact CG2-CB 3.82Å; T304-V327 HydrophobicContact CG2-CG1 3.85Å; T304-V327 HydrophobicContact CG2-CG2 4.02Å; E325-V327 WeakPolarHBondContact OE1-CA 3.41Å; E325-V327 VanDerWaalsContact OE1-CB 3.3Å; E325-V327 WeakPolarHBondContact OE1-CB 3.33Å; E325-V327 PolarHBondContact OE1-N 3.1Å
328F94Very high96.7Very high43 Ų4344.1 Ų44.119%0.18924%0.238CC..  trans-128.7134.8180-69-68.3000113I117 R120 T304 E325 N330 R331I117-F328 HydrophobicContact CD1-CB 4.43Å; I117-F328 HydrophobicContact CD1-CD1 3.88Å; I117-F328 HydrophobicContact CD1-CD2 3.6Å; I117-F328 HydrophobicContact CD1-CE1 3.98Å; I117-F328 HydrophobicContact CD1-CE2 3.68Å; I117-F328 HydrophobicContact CD1-CG 3.69Å; I117-F328 HydrophobicContact CD1-CZ 3.88Å; I117-F328 HydrophobicContact CG1-CB 4.47Å; I117-F328 HydrophobicContact CG1-CD1 3.92Å; I117-F328 HydrophobicContact CG1-CD2 4.42Å; I117-F328 HydrophobicContact CG1-CE1 4.26Å; I117-F328 HydrophobicContact CG1-CG 4.01Å; R120-F328 HydrophobicContact CG-CD1 4.32Å; R120-F328 HydrophobicContact CG-CE1 3.93Å; T304-F328 HydrophobicContact CG2-CD2 3.99Å; T304-F328 HydrophobicContact CG2-CE2 3.88Å; E325-F328 WeakPolarHBondContact CG-O 3.49Å; E325-F328 PolarHBondContact OE1-N 2.84Å; F328-N330 PolarHBondContact O-N 3.36Å; F328-R331 HydrophobicContact CB-CB 4.06Å
329E90.3Very high96.6Very high130 Ų13040.9 Ų40.961%0.60723%0.228SC*.THydrogen-bonded Turntrans-75.5-23.5-172.964.7-87.4-153.600114.8G118 A119G118-E329 VanDerWaalsContact C-OE1 3.31Å; G118-E329 WeakPolarHBondContact CA-OE1 3.21Å; A119-E329 PolarHBondContact N-OE1 2.89Å
330N90Very high96.6Very high84 Ų8445.5 Ų45.545%0.44924%0.235SC..THydrogen-bonded Turntrans-133.655.9-174.3-163.210.7000112.2I117 F328I117-N330 WeakPolarHBondContact CA-O 3.07Å; I117-N330 CarbonylContact O-C 3.56Å; I117-N330 PolarHBondContact O-N 3.1Å; I117-N330 VanDerWaalsContact O-N 3.07Å; F328-N330 PolarHBondContact O-N 3.36Å
331R94.9Very high96.6Very high10 Ų1041.7 Ų41.74%0.03821%0.211CC..  trans-11432.1-175.2-152.6176-170.71723.4113.8I117 T304 D305 Q307 E325 F328 H334I117-R331 HydrophobicContact CB-CB 4.32Å; I117-R331 HydrophobicContact CB-CG 4.07Å; I117-R331 HydrophobicContact CG2-CG 3.92Å; T304-R331 VanDerWaalsContact CG2-NH1 3.28Å; T304-R331 PolarHBondContact O-NH1 3.23Å; T304-R331 WeakPolarHBondContact OG1-CD 3.48Å; T304-R331 PolarHBondContact OG1-NH1 2.84Å; D305-R331 IonicContact OD1-CZ 3.02Å; D305-R331 VanDerWaalsContact OD1-CZ 3.32Å; D305-R331 IonicContact OD1-NH1 3.78Å; D305-R331 PolarHBondContact OD1-NH1 3.41Å; D305-R331 IonicContact OD1-NH2 2.71Å; D305-R331 PolarHBondContact OD1-NH2 3.37Å; Q307-R331 PolarHBondContact NE2-O 2.63Å; Q307-R331 PolarHBondContact OE1-O 2.99Å; E325-R331 HydrophobicContact CG-CB 4.25Å; F328-R331 HydrophobicContact CB-CB 4.06Å; R331-H334 PolarHBondContact O-CE1 2.75Å; R331-H334 VanDerWaalsContact O-CE1 3.23Å
332F96.5Very high96.6Very high20 Ų2043.1 Ų43.19%0.08823%0.227CC..  trans-115.819175.6-69.1-47.8000114.5Q307 I323 E325 H334 V335 P336 I347 N350 V352Q307-F332 HydrophobicContact CG-CE1 4.43Å; I323-F332 HydrophobicContact CG2-CE1 4.44Å; I323-F332 WeakPolarHBondContact O-CZ 3.09Å; E325-F332 HydrophobicContact CB-CE1 4.27Å; E325-F332 HydrophobicContact CB-CE2 4.19Å; E325-F332 HydrophobicContact CB-CZ 3.7Å; F332-H334 AromaticContact CD1-CE1 3.97Å; F332-H334 PolarHBondContact O-N 2.8Å; F332-H334 VanDerWaalsContact O-N 3.13Å; F332-V335 HydrophobicContact CB-CG2 4.06Å; F332-V335 HydrophobicContact CD1-CG2 4.28Å; F332-V335 HydrophobicContact CG-CG2 4.48Å; F332-V335 WeakPolarHBondContact O-CB 3.4Å; F332-V335 PolarHBondContact O-N 3.43Å; F332-P336 WeakPolarHBondContact O-CD 3.42Å; F332-I347 HydrophobicContact CB-CD1 3.9Å; F332-I347 HydrophobicContact CD2-CG2 4.25Å; F332-N350 WeakPolarHBondContact CE2-O 3.03Å; F332-V352 HydrophobicContact CD1-CB 4.33Å; F332-V352 HydrophobicContact CD1-CG1 3.99Å; F332-V352 HydrophobicContact CE1-CB 4.11Å; F332-V352 HydrophobicContact CE1-CG1 3.52Å; F332-V352 HydrophobicContact CZ-CB 4.26Å; F332-V352 HydrophobicContact CZ-CG1 3.97Å
333M94.1Very high96.6Very high78 Ų7839.3 Ų39.338%0.38421%0.211SC..THydrogen-bonded Turntrans-64-18.6-177.3-64.6-57.3-6100114.4V335 T368M333-V335 VanDerWaalsContact C-N 3.34Å; M333-T368 HydrophobicContact CB-CG2 4.04Å; M333-T368 WeakPolarHBondContact CB-OG1 3.42Å
334H96.6Very high96.6Very high2 Ų244.5 Ų44.51%0.00924%0.235CC..Hα-helixtrans-73.9-21.3171.954-68.3000113.5Q307 A308 T311 R331 F332 E337 L338 A372Q307-H334 PolarHBondContact OE1-CE1 2.97Å; Q307-H334 PolarHBondContact OE1-NE2 3.08Å; A308-H334 WeakPolarHBondContact CA-NE2 3.48Å; T311-H334 WeakPolarHBondContact CB-NE2 3.34Å; T311-H334 PolarHBondContact OG1-NE2 3Å; R331-H334 PolarHBondContact O-CE1 2.75Å; R331-H334 VanDerWaalsContact O-CE1 3.23Å; F332-H334 AromaticContact CD1-CE1 3.97Å; F332-H334 PolarHBondContact O-N 2.8Å; F332-H334 VanDerWaalsContact O-N 3.13Å; H334-E337 PolarHBondContact O-N 3.13Å; H334-L338 WeakPolarHBondContact O-CG 3.34Å; H334-L338 PolarHBondContact O-N 3.16Å; H334-A372 HydrophobicContact CB-CB 3.88Å
335V97.6Very high96.6Very high5 Ų544.7 Ų44.73%0.0324%0.238CC..Hα-helixtrans-64.1-51.2-175175.20000111.5T311 F332 M333 E337 L338 S339 A345 I347 V352T311-V335 HydrophobicContact CG2-CG2 4.08Å; F332-V335 HydrophobicContact CB-CG2 4.06Å; F332-V335 HydrophobicContact CD1-CG2 4.28Å; F332-V335 HydrophobicContact CG-CG2 4.48Å; F332-V335 WeakPolarHBondContact O-CB 3.4Å; F332-V335 PolarHBondContact O-N 3.43Å; M333-V335 VanDerWaalsContact C-N 3.34Å; V335-E337 VanDerWaalsContact C-N 3.26Å; V335-E337 PolarHBondContact O-N 2.76Å; V335-L338 PolarHBondContact O-N 3.46Å; V335-S339 PolarHBondContact O-N 2.99Å; V335-S339 PolarHBondContact O-OG 3.45Å; V335-S339 VanDerWaalsContact O-OG 3.12Å; V335-A345 HydrophobicContact CG1-CB 3.83Å; V335-I347 HydrophobicContact CB-CD1 4.1Å; V335-I347 HydrophobicContact CG1-CD1 4.1Å; V335-I347 HydrophobicContact CG1-CG1 4.22Å; V335-I347 HydrophobicContact CG2-CD1 4.45Å; V335-V352 HydrophobicContact CG1-CG2 4.19Å; V335-V352 HydrophobicContact CG2-CB 4.46Å; V335-V352 HydrophobicContact CG2-CG2 3.98Å
336P97.3Very high96.6Very high67 Ų6748.7 Ų48.744%0.43526%0.257SS..Hα-helixtrans-58.9-36.5176.6-24.935.5000113.4F332 S339 R340F332-P336 WeakPolarHBondContact O-CD 3.42Å; P336-S339 PolarHBondContact O-N 2.84Å; P336-R340 WeakPolarHBondContact O-CG 3.35Å; P336-R340 PolarHBondContact O-N 2.97Å
337E98Very high96.6Very high31 Ų3150.2 Ų50.215%0.14526%0.262CS..Hα-helixtrans-69.3-38.3178.9-68.5-6397.800112H334 V335 R340 M341 V365 M366 L376H334-E337 PolarHBondContact O-N 3.13Å; V335-E337 VanDerWaalsContact C-N 3.26Å; V335-E337 PolarHBondContact O-N 2.76Å; E337-R340 WeakPolarHBondContact O-CB 3.43Å; E337-R340 PolarHBondContact O-N 3.15Å; E337-R340 WeakPolarHBondContact OE1-CD 3.44Å; E337-R340 IonicContact OE1-NH1 2.83Å; E337-R340 PolarHBondContact OE1-NH1 2.99Å; E337-R340 IonicContact OE2-NH1 3.46Å; E337-R340 PolarHBondContact OE2-NH1 3.23Å; E337-M341 PolarHBondContact O-N 3.3Å; E337-V365 HydrophobicContact CB-CB 4.35Å; E337-V365 HydrophobicContact CB-CG1 4.28Å; E337-V365 WeakPolarHBondContact OE2-CA 3.5Å; E337-V365 WeakPolarHBondContact OE2-CB 3.34Å; E337-M366 PolarHBondContact OE2-N 2.92Å; E337-L376 HydrophobicContact CB-CD1 4.12Å; E337-L376 HydrophobicContact CB-CD2 3.73Å; E337-L376 HydrophobicContact CG-CD1 4.42Å
338L98.4Very high96.6Very high0 Ų053.4 Ų53.40%027%0.273CS..Hα-helixtrans-68.3-35.6171.9-70.4170000111.9L312 L315 H334 V335 R340 M341 G342 A343 L376 A379L312-L338 HydrophobicContact CB-CD1 4.41Å; L312-L338 HydrophobicContact CD1-CD2 3.98Å; L315-L338 HydrophobicContact CD1-CB 4.11Å; L315-L338 HydrophobicContact CD1-CD1 3.74Å; H334-L338 WeakPolarHBondContact O-CG 3.34Å; H334-L338 PolarHBondContact O-N 3.16Å; V335-L338 PolarHBondContact O-N 3.46Å; L338-R340 VanDerWaalsContact C-N 3.26Å; L338-R340 PolarHBondContact O-N 3.11Å; L338-M341 HydrophobicContact CD2-SD 4.38Å; L338-M341 CarbonylContact O-C 3.56Å; L338-M341 WeakPolarHBondContact O-CA 3.41Å; L338-M341 WeakPolarHBondContact O-CB 3.36Å; L338-M341 PolarHBondContact O-N 3.04Å; L338-G342 PolarHBondContact O-N 2.88Å; L338-A343 HydrophobicContact CB-CB 4.08Å; L338-A343 VanDerWaalsContact O-CB 3.24Å; L338-A343 WeakPolarHBondContact O-CB 3.34Å; L338-A343 PolarHBondContact O-N 2.93Å; L338-A343 VanDerWaalsContact O-N 3.11Å; L338-L376 HydrophobicContact CD2-CD2 3.99Å; L338-L376 HydrophobicContact CG-CD2 4.07Å; L338-A379 HydrophobicContact CD2-CB 3.59Å
339S98.2Very high96.7Very high48 Ų4856.9 Ų56.934%0.33630%0.303SS..Hα-helixtrans-62.7-34.1173.4-59.20000112V335 P336 M341 G342V335-S339 PolarHBondContact O-N 2.99Å; V335-S339 PolarHBondContact O-OG 3.45Å; V335-S339 VanDerWaalsContact O-OG 3.12Å; P336-S339 PolarHBondContact O-N 2.84Å; S339-M341 PolarHBondContact O-N 3.42Å; S339-G342 WeakPolarHBondContact O-CA 3.02Å; S339-G342 PolarHBondContact O-N 3.07Å
340R97.9Very high97Very high131 Ų13154 Ų5449%0.49429%0.291SS..Hα-helixtrans-66.1-21.5171.6-69.3175.662.8-121-12.2113.3P336 E337 L338 G342 Q364P336-R340 WeakPolarHBondContact O-CG 3.35Å; P336-R340 PolarHBondContact O-N 2.97Å; E337-R340 WeakPolarHBondContact O-CB 3.43Å; E337-R340 PolarHBondContact O-N 3.15Å; E337-R340 WeakPolarHBondContact OE1-CD 3.44Å; E337-R340 IonicContact OE1-NH1 2.83Å; E337-R340 PolarHBondContact OE1-NH1 2.99Å; E337-R340 IonicContact OE2-NH1 3.46Å; E337-R340 PolarHBondContact OE2-NH1 3.23Å; L338-R340 VanDerWaalsContact C-N 3.26Å; L338-R340 PolarHBondContact O-N 3.11Å; R340-G342 VanDerWaalsContact C-N 3.29Å; R340-Q364 PolarHBondContact NH1-O 3.22Å; R340-Q364 PolarHBondContact NH2-O 3.18Å
341M98.7Very high97.4Very high1 Ų151.2 Ų51.21%0.00528%0.278CS..THydrogen-bonded Turntrans-88.17.1170.1-59.6-179.868.700112.7E337 L338 S339 L360 S361 A363 V365 A379 A383 T387E337-M341 PolarHBondContact O-N 3.3Å; L338-M341 HydrophobicContact CD2-SD 4.38Å; L338-M341 CarbonylContact O-C 3.56Å; L338-M341 WeakPolarHBondContact O-CA 3.41Å; L338-M341 WeakPolarHBondContact O-CB 3.36Å; L338-M341 PolarHBondContact O-N 3.04Å; S339-M341 PolarHBondContact O-N 3.42Å; M341-L360 HydrophobicContact CB-CB 4.4Å; M341-L360 CarbonylContact O-C 3.56Å; M341-L360 WeakPolarHBondContact O-CA 3.4Å; M341-S361 WeakPolarHBondContact CA-O 3.18Å; M341-S361 VanDerWaalsContact CB-O 3.3Å; M341-S361 WeakPolarHBondContact CB-O 3.4Å; M341-S361 PolarHBondContact O-N 2.89Å; M341-A363 HydrophobicContact CG-CB 4.03Å; M341-V365 HydrophobicContact CG-CG1 4.04Å; M341-V365 HydrophobicContact SD-CG1 4.16Å; M341-A379 HydrophobicContact CE-CB 3.84Å; M341-A379 HydrophobicContact SD-CB 3.91Å; M341-A383 HydrophobicContact CE-CB 3.6Å; M341-T387 HydrophobicContact CE-CG2 4.05Å; M341-T387 WeakPolarHBondContact CE-OG1 3.49Å; M341-T387 HydrophobicContact SD-CG2 4.48Å
342G98.2Very high97.6Very high33 Ų3350.8 Ų50.834%0.3428%0.276SS..THydrogen-bonded Turntrans92.910.1176.700000115.3L338 S339 R340L338-G342 PolarHBondContact O-N 2.88Å; S339-G342 WeakPolarHBondContact O-CA 3.02Å; S339-G342 PolarHBondContact O-N 3.07Å; R340-G342 VanDerWaalsContact C-N 3.29Å
343A98.6Very high97.7Very high5 Ų551.7 Ų51.74%0.04128%0.281CS..  trans-69.1157.4173.700000112.2L315 L338 L360L315-A343 HydrophobicContact CB-CB 4.15Å; L315-A343 HydrophobicContact CD1-CB 3.93Å; L315-A343 HydrophobicContact CD2-CB 4.08Å; L315-A343 HydrophobicContact CG-CB 4.26Å; L338-A343 HydrophobicContact CB-CB 4.08Å; L338-A343 VanDerWaalsContact O-CB 3.24Å; L338-A343 WeakPolarHBondContact O-CB 3.34Å; L338-A343 PolarHBondContact O-N 2.93Å; L338-A343 VanDerWaalsContact O-N 3.11Å; A343-L360 HydrophobicContact CB-CD2 3.94Å
344H98.6Very high97.9Very high110 Ų11048 Ų4851%0.50926%0.263SS..EExtended strand (participates in β ladder)trans-119.6114.8178-65.3-12.8000110.4L315 H355 V357L315-H344 WeakPolarHBondContact CD2-O 3.43Å; H344-H355 HydrophobicContact CB-CB 3.91Å; H344-H355 PolarHBondContact O-N 3.49Å; H344-V357 HydrophobicContact CB-CG1 4.35Å
345A98.4Very high98Very high23 Ų2351.1 Ų51.119%0.1928%0.278CS..EExtended strand (participates in β ladder)trans-153.2146.4-177.700000112.6L315 V335 V352 I353L315-A345 HydrophobicContact CD2-CB 3.79Å; V335-A345 HydrophobicContact CG1-CB 3.83Å; A345-V352 HydrophobicContact CB-CG2 3.83Å; A345-I353 CarbonylContact C-O 3.57Å; A345-I353 WeakPolarHBondContact CA-O 3.38Å; A345-I353 WeakPolarHBondContact CB-O 3.47Å
346E98.3Very high98.1Very high88 Ų8851.9 Ų51.941%0.41129%0.287SS..EExtended strand (participates in β ladder)trans-117.3139.7169-56.877.6-156.600110.1V352 I353 H355E346-V352 CarbonylContact O-C 3.6Å; E346-V352 WeakPolarHBondContact O-CA 3.3Å; E346-I353 PolarHBondContact N-O 2.7Å; E346-I353 PolarHBondContact O-N 3.05Å; E346-H355 IonicContact OE1-CD2 3.2Å; E346-H355 IonicContact OE1-NE2 3.1Å; E346-H355 IonicContact OE2-CD2 2.78Å; E346-H355 PolarHBondContact OE2-CD2 3.25Å; E346-H355 IonicContact OE2-NE2 3.67Å; E346-H355 PolarHBondContact OE2-NE2 3.1Å; E346-H355 VanDerWaalsContact OE2-NE2 3.1Å
347I97.8Very high98.2Very high85 Ų8549.7 Ų49.744%0.43627%0.272SS..EExtended strand (participates in β ladder)trans-101.9116.9173.3-62173.9000108.4F332 V335 V352F332-I347 HydrophobicContact CB-CD1 3.9Å; F332-I347 HydrophobicContact CD2-CG2 4.25Å; V335-I347 HydrophobicContact CB-CD1 4.1Å; V335-I347 HydrophobicContact CG1-CD1 4.1Å; V335-I347 HydrophobicContact CG1-CG1 4.22Å; V335-I347 HydrophobicContact CG2-CD1 4.45Å; I347-V352 HydrophobicContact CG1-CB 4.4Å; I347-V352 HydrophobicContact CG1-CG2 4.28Å
348E96.7Very high98.1Very high128 Ų12853.3 Ų53.360%0.59829%0.289SS*.EExtended strand (participates in β ladder)trans-114.2103.5173.4-67.1-169.6174.700109.5N350 T351 I353E348-N350 PolarHBondContact O-N 3.25Å; E348-N350 VanDerWaalsContact O-N 3.08Å; E348-T351 CarbonylContact C-O 3.59Å; E348-T351 PolarHBondContact N-O 3.02Å; E348-T351 PolarHBondContact O-N 3.35Å; E348-I353 HydrophobicContact CG-CD1 4.03Å
349S95.4Very high98.1Very high116 Ų11659.6 Ų59.681%0.81132%0.316SS*.THydrogen-bonded Turntrans55.1-114.2-176.7-175.90000111.2
350N97Very high98.1Very high68 Ų6857.4 Ų57.436%0.36430%0.3SS..THydrogen-bonded Turntrans-99.616.6178.775.2-35.7000113.4T324 E325 F332 E348T324-N350 WeakPolarHBondContact CA-O 3.41Å; E325-N350 PolarHBondContact N-O 3.46Å; E325-N350 WeakPolarHBondContact O-CB 3.5Å; E325-N350 PolarHBondContact O-ND2 2.94Å; F332-N350 WeakPolarHBondContact CE2-O 3.03Å; E348-N350 PolarHBondContact O-N 3.25Å; E348-N350 VanDerWaalsContact O-N 3.08Å
351T98.5Very high98.2Very high27 Ų2754.4 Ų54.417%0.16630%0.3CS..EExtended strand (participates in β ladder)trans-120.7135.1177.2-60.60000110.3F322 I323 T324 E348F322-T351 HydrophobicContact CB-CG2 3.87Å; I323-T351 WeakPolarHBondContact O-CA 3.28Å; T324-T351 WeakPolarHBondContact CG2-OG1 3.35Å; T324-T351 PolarHBondContact OG1-OG1 3.37Å; E348-T351 CarbonylContact C-O 3.59Å; E348-T351 PolarHBondContact N-O 3.02Å; E348-T351 PolarHBondContact O-N 3.35Å
352V98.6Very high98.2Very high0 Ų055.6 Ų55.60%031%0.312CS..EExtended strand (participates in β ladder)trans-101.5127.9163.660.60000109.2T311 F322 I323 F332 V335 A345 E346 I347T311-V352 HydrophobicContact CG2-CG1 4.21Å; F322-V352 WeakPolarHBondContact CA-O 3.37Å; I323-V352 HydrophobicContact CB-CG1 3.65Å; I323-V352 HydrophobicContact CG1-CG1 4.14Å; I323-V352 HydrophobicContact CG2-CG1 4.5Å; I323-V352 PolarHBondContact N-O 3.2Å; I323-V352 PolarHBondContact O-N 3.21Å; F332-V352 HydrophobicContact CD1-CB 4.33Å; F332-V352 HydrophobicContact CD1-CG1 3.99Å; F332-V352 HydrophobicContact CE1-CB 4.11Å; F332-V352 HydrophobicContact CE1-CG1 3.52Å; F332-V352 HydrophobicContact CZ-CB 4.26Å; F332-V352 HydrophobicContact CZ-CG1 3.97Å; V335-V352 HydrophobicContact CG1-CG2 4.19Å; V335-V352 HydrophobicContact CG2-CB 4.46Å; V335-V352 HydrophobicContact CG2-CG2 3.98Å; A345-V352 HydrophobicContact CB-CG2 3.83Å; E346-V352 CarbonylContact O-C 3.6Å; E346-V352 WeakPolarHBondContact O-CA 3.3Å; I347-V352 HydrophobicContact CG1-CB 4.4Å; I347-V352 HydrophobicContact CG1-CG2 4.28Å
353I98.8Very high98.2Very high39 Ų3955 Ų5520%0.230%0.304CS..EExtended strand (participates in β ladder)trans-90.8120.8170.9-56.7173.4000106.1T320 A345 E346 E348T320-I353 HydrophobicContact CG2-CG2 3.91Å; A345-I353 CarbonylContact C-O 3.57Å; A345-I353 WeakPolarHBondContact CA-O 3.38Å; A345-I353 WeakPolarHBondContact CB-O 3.47Å; E346-I353 PolarHBondContact N-O 2.7Å; E346-I353 PolarHBondContact O-N 3.05Å; E348-I353 HydrophobicContact CG-CD1 4.03Å
354C98.9Very high98.1Very high0 Ų061.4 Ų61.40%033%0.333CS..EExtended strand (participates in β ladder)trans-110.4122.6-177.3-61.60000109.6N314 L315 T320 G321N314-C354 HydrophobicContact CB-CB 3.59Å; L315-C354 HydrophobicContact CD2-CB 3.68Å; L315-C354 HydrophobicContact CG-CB 4.08Å; T320-C354 VanDerWaalsContact CA-O 3.3Å; T320-C354 WeakPolarHBondContact CA-O 3.45Å; G321-C354 PolarHBondContact N-O 3.4Å; G321-C354 WeakPolarHBondContact O-CB 3.27Å; G321-C354 PolarHBondContact O-N 3.35Å
355H98.8Very high98.1Very high69 Ų6956.4 Ų56.432%0.31931%0.31SS..EExtended strand (participates in β ladder)trans-103.2107.8172.2-64.6-62.3000109T320 H344 E346 V357T320-H355 PolarHBondContact OG1-ND1 3.48Å; H344-H355 HydrophobicContact CB-CB 3.91Å; H344-H355 PolarHBondContact O-N 3.49Å; E346-H355 IonicContact OE1-CD2 3.2Å; E346-H355 IonicContact OE1-NE2 3.1Å; E346-H355 IonicContact OE2-CD2 2.78Å; E346-H355 PolarHBondContact OE2-CD2 3.25Å; E346-H355 IonicContact OE2-NE2 3.67Å; E346-H355 PolarHBondContact OE2-NE2 3.1Å; E346-H355 VanDerWaalsContact OE2-NE2 3.1Å; H355-V357 PolarHBondContact O-N 3.1Å
356G98.7Very high97.8Very high21 Ų2159.5 Ų59.522%0.21632%0.322CS..  trans-71.2130-169.700000113.8R288 N314 L315 A317 G319R288-G356 PolarHBondContact NH2-O 3.26Å; N314-G356 WeakPolarHBondContact O-CA 3.24Å; L315-G356 WeakPolarHBondContact O-CA 3.34Å; A317-G356 VanDerWaalsContact O-CA 3.24Å; A317-G356 WeakPolarHBondContact O-CA 3.47Å; G319-G356 PolarHBondContact O-N 2.87Å
357V98.8Very high97.1Very high21 Ų2155.4 Ų55.413%0.12730%0.303CS..  trans-102153.3177-60.90000111.4R288 L315 V316 H344 H355 K359 L360R288-V357 VanDerWaalsContact NH2-C 3.31Å; R288-V357 PolarHBondContact NH2-O 3.17Å; L315-V357 WeakPolarHBondContact O-CG2 3.39Å; L315-V357 PolarHBondContact O-N 2.63Å; V316-V357 WeakPolarHBondContact CA-O 3.17Å; H344-V357 HydrophobicContact CB-CG1 4.35Å; H355-V357 PolarHBondContact O-N 3.1Å; V357-K359 VanDerWaalsContact C-N 3.34Å; V357-K359 PolarHBondContact O-N 3.31Å; V357-L360 HydrophobicContact CG2-CD2 3.79Å
358E97.6Very high96.4Very high106 Ų10652.9 Ų52.950%0.49529%0.291SS..SBendtrans-67.2-35.7-176.6-17759.5-156.700112.7R246 R288R246-E358 IonicContact CZ-OE1 3.46Å; R246-E358 IonicContact NH1-OE1 3.64Å; R246-E358 PolarHBondContact NH1-OE1 2.81Å; R246-E358 VanDerWaalsContact NH1-OE1 3.09Å; R246-E358 VanDerWaalsContact NH2-CD 3.32Å; R246-E358 IonicContact NH2-OE1 3.51Å; R246-E358 PolarHBondContact NH2-OE1 3.04Å; R246-E358 IonicContact NH2-OE2 3.8Å; R288-E358 WeakPolarHBondContact CD-OE2 3.27Å; R288-E358 IonicContact CZ-OE2 3.78Å; R288-E358 IonicContact NE-OE2 3.51Å; R288-E358 IonicContact NH1-OE2 3.22Å; R288-E358 PolarHBondContact NH1-OE2 3.16Å
359K97.5Very high96.2Very high132 Ų13246.9 Ų46.957%0.57426%0.263SS*.  trans-150.4150178.460.7176177.2171.90111.8V357V357-K359 VanDerWaalsContact C-N 3.34Å; V357-K359 PolarHBondContact O-N 3.31Å
360L98.8Very high96.1Very high2 Ų241.5 Ų41.51%0.0123%0.226CC..  trans-92.9166.4168.9-60.9178.1000110.3L312 V316 M341 A343 V357 A379 A383 E384L312-L360 HydrophobicContact CD1-CD1 3.89Å; V316-L360 HydrophobicContact CG1-CD1 3.92Å; V316-L360 HydrophobicContact CG1-CD2 4.29Å; V316-L360 HydrophobicContact CG1-CG 3.84Å; M341-L360 HydrophobicContact CB-CB 4.4Å; M341-L360 CarbonylContact O-C 3.56Å; M341-L360 WeakPolarHBondContact O-CA 3.4Å; A343-L360 HydrophobicContact CB-CD2 3.94Å; V357-L360 HydrophobicContact CG2-CD2 3.79Å; L360-A379 HydrophobicContact CD1-CB 4.01Å; L360-A383 HydrophobicContact CB-CB 3.81Å; L360-E384 PolarHBondContact O-N 2.91Å
361S98.8Very high96Very high69 Ų6938.4 Ų38.448%0.48321%0.209SC..BIsolated β-bridgetrans-116.2141.2172.1-58.10000110.3M341M341-S361 WeakPolarHBondContact CA-O 3.18Å; M341-S361 VanDerWaalsContact CB-O 3.3Å; M341-S361 WeakPolarHBondContact CB-O 3.4Å; M341-S361 PolarHBondContact O-N 2.89Å
362G98.4Very high95.8Very high26 Ų2637.1 Ų37.127%0.26820%0.201SC..  trans-63.5139.9178.400000112.1E384 T386 T387G362-E384 PolarHBondContact N-O 2.97Å; G362-T386 CarbonylContact C-O 3.6Å; G362-T386 VanDerWaalsContact C-O 3.3Å; G362-T386 WeakPolarHBondContact CA-O 3.34Å; G362-T387 WeakPolarHBondContact CA-OG1 3.37Å
363A98.4Very high95.7Very high19 Ų1937.1 Ų37.116%0.15720%0.201CC..  trans-147.9166179.600000111.3M341 V365 T386 T387 V388M341-A363 HydrophobicContact CG-CB 4.03Å; A363-V365 HydrophobicContact CB-CG1 4.29Å; A363-T386 PolarHBondContact N-O 3.36Å; A363-T387 WeakPolarHBondContact O-CA 3.41Å; A363-T387 WeakPolarHBondContact O-CG2 3.5Å; A363-V388 PolarHBondContact O-N 3.17Å
364Q97.8Very high95.5Very high141 Ų14135.3 Ų35.366%0.65919%0.191SC*.EExtended strand (participates in β ladder)trans-82.5114.9165.9-62.4-17228.800109R340 V388R340-Q364 PolarHBondContact NH1-O 3.22Å; R340-Q364 PolarHBondContact NH2-O 3.18Å; Q364-V388 CarbonylContact C-O 3.59Å; Q364-V388 WeakPolarHBondContact CA-O 3.33Å; Q364-V388 HydrophobicContact CG-CB 4.24Å
365V97.6Very high95.5Very high4 Ų435.3 Ų35.32%0.02419%0.191CC..EExtended strand (participates in β ladder)trans-123.9160.8-177.9-65.20000111.2E337 M341 A363 L376 T387 V388 V389 D390E337-V365 HydrophobicContact CB-CB 4.35Å; E337-V365 HydrophobicContact CB-CG1 4.28Å; E337-V365 WeakPolarHBondContact OE2-CA 3.5Å; E337-V365 WeakPolarHBondContact OE2-CB 3.34Å; M341-V365 HydrophobicContact CG-CG1 4.04Å; M341-V365 HydrophobicContact SD-CG1 4.16Å; A363-V365 HydrophobicContact CB-CG1 4.29Å; V365-L376 HydrophobicContact CB-CD1 4.19Å; V365-L376 HydrophobicContact CB-CD2 4.47Å; V365-L376 HydrophobicContact CG2-CB 4.07Å; V365-L376 HydrophobicContact CG2-CD1 4.04Å; V365-L376 HydrophobicContact CG2-CD2 4.3Å; V365-L376 HydrophobicContact CG2-CG 4.36Å; V365-T387 HydrophobicContact CG2-CG2 4.11Å; V365-V388 PolarHBondContact N-O 3.01Å; V365-V389 HydrophobicContact CG2-CB 4.35Å; V365-V389 HydrophobicContact CG2-CG1 4.42Å; V365-V389 HydrophobicContact CG2-CG2 3.86Å; V365-V389 WeakPolarHBondContact O-CA 3.48Å; V365-D390 PolarHBondContact O-N 3.43Å
366M93.3Very high95.5Very high89 Ų8932 Ų3244%0.43818%0.176SC..EExtended strand (participates in β ladder)trans-120.3128.5-177.2-166.9-150.3-55.800111.6E337 L376 D390 R391E337-M366 PolarHBondContact OE2-N 2.92Å; M366-L376 WeakPolarHBondContact O-CD1 3.39Å; M366-D390 HydrophobicContact CG-CB 4.48Å; M366-R391 HydrophobicContact CG-CG 4.08Å; M366-R391 VanDerWaalsContact SD-CD 3.55Å; M366-R391 PolarHBondContact SD-NE 2.86Å; M366-R391 VanDerWaalsContact SD-NE 3.39Å
367A82.2Confident95.5Very high1 Ų131 Ų311%0.00817%0.166CC..  trans-68.4128.3169.500000112.4S373 V389 D390 R391A367-S373 VanDerWaalsContact CB-CB 3.45Å; A367-S373 WeakPolarHBondContact CB-OG 3.3Å; A367-V389 HydrophobicContact CB-CG1 4.48Å; A367-D390 WeakPolarHBondContact CB-O 3.23Å; A367-D390 PolarHBondContact N-O 3.27Å; A367-R391 HydrophobicContact CB-CB 4.08Å
368T84.2Confident95.5Very high32 Ų3230.1 Ų30.120%0.19616%0.16CC..  trans-101.9-29.9175.353.40000113.3M333M333-T368 HydrophobicContact CB-CG2 4.04Å; M333-T368 WeakPolarHBondContact CB-OG1 3.42Å
369D91.8Very high95.5Very high2 Ų225 Ų251%0.01114%0.137CC..SBendtrans-154.1174.7176.970.284.5000111.2C115 I117 R371 A372 S373C115-D369 HydrophobicContact CB-CB 4.06Å; I117-D369 HydrophobicContact CG2-CB 4.2Å; D369-R371 PolarHBondContact O-N 3.1Å; D369-R371 PolarHBondContact OD1-N 2.89Å; D369-A372 PolarHBondContact OD1-N 3.09Å; D369-A372 VanDerWaalsContact OD1-N 3.12Å; D369-A372 WeakPolarHBondContact OD2-CB 3.5Å; D369-S373 WeakPolarHBondContact O-CB 3.44Å; D369-S373 PolarHBondContact O-N 3.26Å
370L93.3Very high95.6Very high4 Ų418.8 Ų18.82%0.02111%0.109CC..Hα-helixtrans-54-49.5-175.9168.360.9000113.4K22 A374 H394 Y399K22-L370 HydrophobicContact CD-CD2 4.29Å; L370-A374 PolarHBondContact O-N 3.32Å; L370-H394 WeakPolarHBondContact CD1-O 3.47Å; L370-Y399 HydrophobicContact CD1-CD2 3.67Å; L370-Y399 HydrophobicContact CD1-CE2 3.67Å; L370-Y399 HydrophobicContact CG-CE2 4.3Å
371R95.9Very high95.6Very high3 Ų318.7 Ų18.71%0.01111%0.109CC..Hα-helixtrans-84.3-39.3-170.7-54.9-59179.7-166.86.9110.7I233 D305 D369 S373 A374 S375 Y399I233-R371 VanDerWaalsContact CG2-CZ 3.4Å; D305-R371 IonicContact OD2-CZ 3.56Å; D305-R371 IonicContact OD2-NE 3.6Å; D305-R371 PolarHBondContact OD2-NE 2.63Å; D305-R371 VanDerWaalsContact OD2-NE 3.17Å; D305-R371 IonicContact OD2-NH2 3.69Å; D305-R371 PolarHBondContact OD2-NH2 2.9Å; D369-R371 PolarHBondContact O-N 3.1Å; D369-R371 PolarHBondContact OD1-N 2.89Å; R371-S373 VanDerWaalsContact C-N 3.26Å; R371-S373 PolarHBondContact O-N 2.84Å; R371-A374 PolarHBondContact O-N 3.01Å; R371-S375 PolarHBondContact O-N 3.05Å; R371-S375 PolarHBondContact O-OG 3.2Å; R371-Y399 PolarHBondContact NH1-OH 2.92Å
372A94.8Very high95.6Very high0 Ų016.4 Ų16.40%09%0.091CC..Hα-helixtrans-55-43.7169.200000111.6H334 D369 A374 S375 L376H334-A372 HydrophobicContact CB-CB 3.88Å; D369-A372 PolarHBondContact OD1-N 3.09Å; D369-A372 VanDerWaalsContact OD1-N 3.12Å; D369-A372 WeakPolarHBondContact OD2-CB 3.5Å; A372-A374 PolarHBondContact O-N 3.48Å; A372-S375 WeakPolarHBondContact O-CB 3.34Å; A372-S375 PolarHBondContact O-N 3.24Å; A372-L376 WeakPolarHBondContact O-CG 3.35Å; A372-L376 PolarHBondContact O-N 3.22Å
373S94.8Very high95.6Very high0 Ų015.1 Ų15.10%08%0.078CC..Hα-helixtrans-62.8-42179.3-164.60000113.1A367 D369 R371 S375 L376 V377 I395A367-S373 VanDerWaalsContact CB-CB 3.45Å; A367-S373 WeakPolarHBondContact CB-OG 3.3Å; D369-S373 WeakPolarHBondContact O-CB 3.44Å; D369-S373 PolarHBondContact O-N 3.26Å; R371-S373 VanDerWaalsContact C-N 3.26Å; R371-S373 PolarHBondContact O-N 2.84Å; S373-S375 VanDerWaalsContact C-N 3.34Å; S373-L376 PolarHBondContact O-N 3.18Å; S373-V377 WeakPolarHBondContact O-CG2 3.37Å; S373-V377 PolarHBondContact O-N 3.44Å; S373-V377 VanDerWaalsContact O-N 3.16Å; S373-I395 VanDerWaalsContact CB-CG1 3.48Å; S373-I395 VanDerWaalsContact OG-CD1 3.22Å; S373-I395 WeakPolarHBondContact OG-CD1 3.47Å; S373-I395 WeakPolarHBondContact OG-CG1 3.46Å
374A96.4Very high95.6Very high0 Ų019 Ų190%09%0.093CC..Hα-helixtrans-63.3-4317600000110.7T237 L370 R371 A372 L376 V377 L378 Y399T237-A374 HydrophobicContact CG2-CB 4.44Å; L370-A374 PolarHBondContact O-N 3.32Å; R371-A374 PolarHBondContact O-N 3.01Å; A372-A374 PolarHBondContact O-N 3.48Å; A374-L376 VanDerWaalsContact C-N 3.35Å; A374-L376 PolarHBondContact O-N 3.29Å; A374-V377 PolarHBondContact O-N 2.69Å; A374-L378 WeakPolarHBondContact O-CG 3.3Å; A374-L378 PolarHBondContact O-N 2.79Å; A374-Y399 HydrophobicContact CB-CD2 4.35Å; A374-Y399 HydrophobicContact CB-CE1 4.47Å; A374-Y399 HydrophobicContact CB-CE2 3.55Å
375S98Very high95.6Very high0 Ų013.6 Ų13.60%08%0.075CC..Hα-helixtrans-58.4-42.9174.7-62.40000112.9A308 Q309 L312 R371 A372 S373 V377 L378 A379A308-S375 WeakPolarHBondContact CB-OG 3.36Å; A308-S375 PolarHBondContact O-OG 3.14Å; Q309-S375 WeakPolarHBondContact CA-OG 3.47Å; Q309-S375 PolarHBondContact N-OG 2.91Å; Q309-S375 VanDerWaalsContact N-OG 3.11Å; L312-S375 WeakPolarHBondContact CD2-O 3.34Å; R371-S375 PolarHBondContact O-N 3.05Å; R371-S375 PolarHBondContact O-OG 3.2Å; A372-S375 WeakPolarHBondContact O-CB 3.34Å; A372-S375 PolarHBondContact O-N 3.24Å; S373-S375 VanDerWaalsContact C-N 3.34Å; S375-V377 VanDerWaalsContact C-N 3.34Å; S375-V377 PolarHBondContact O-N 2.72Å; S375-L378 PolarHBondContact O-N 2.86Å; S375-A379 WeakPolarHBondContact O-CB 3.42Å; S375-A379 PolarHBondContact O-N 2.8Å
376L98.3Very high95.7Very high1 Ų116.3 Ų16.31%0.0059%0.092CC..Hα-helixtrans-65.8-35.7178.6-66.8176.5000112.6E337 L338 V365 M366 A372 S373 A374 A379 G380 V389E337-L376 HydrophobicContact CB-CD1 4.12Å; E337-L376 HydrophobicContact CB-CD2 3.73Å; E337-L376 HydrophobicContact CG-CD1 4.42Å; L338-L376 HydrophobicContact CD2-CD2 3.99Å; L338-L376 HydrophobicContact CG-CD2 4.07Å; V365-L376 HydrophobicContact CB-CD1 4.19Å; V365-L376 HydrophobicContact CB-CD2 4.47Å; V365-L376 HydrophobicContact CG2-CB 4.07Å; V365-L376 HydrophobicContact CG2-CD1 4.04Å; V365-L376 HydrophobicContact CG2-CD2 4.3Å; V365-L376 HydrophobicContact CG2-CG 4.36Å; M366-L376 WeakPolarHBondContact O-CD1 3.39Å; A372-L376 WeakPolarHBondContact O-CG 3.35Å; A372-L376 PolarHBondContact O-N 3.22Å; S373-L376 PolarHBondContact O-N 3.18Å; A374-L376 VanDerWaalsContact C-N 3.35Å; A374-L376 PolarHBondContact O-N 3.29Å; L376-A379 PolarHBondContact O-N 2.96Å; L376-G380 PolarHBondContact O-N 2.92Å; L376-V389 HydrophobicContact CB-CG1 4.17Å; L376-V389 HydrophobicContact CB-CG2 4.24Å
377V98.4Very high95.9Very high0 Ų012 Ų120%07%0.071CC..Hα-helixtrans-65.7-44.1172.9173.20000111F4 V6 S373 A374 S375 A379 G380 C381 V389 I395 L406 I413F4-V377 HydrophobicContact CB-CG2 4.48Å; F4-V377 HydrophobicContact CD2-CG2 3.83Å; V6-V377 HydrophobicContact CG2-CG1 4.41Å; S373-V377 WeakPolarHBondContact O-CG2 3.37Å; S373-V377 PolarHBondContact O-N 3.44Å; S373-V377 VanDerWaalsContact O-N 3.16Å; A374-V377 PolarHBondContact O-N 2.69Å; S375-V377 VanDerWaalsContact C-N 3.34Å; S375-V377 PolarHBondContact O-N 2.72Å; V377-A379 VanDerWaalsContact C-N 3.33Å; V377-A379 PolarHBondContact O-N 3.04Å; V377-G380 PolarHBondContact O-N 3.22Å; V377-C381 PolarHBondContact O-N 3.44Å; V377-C381 VanDerWaalsContact O-N 3.12Å; V377-C381 PolarHBondContact O-SG 3.35Å; V377-V389 HydrophobicContact CG2-CB 4.23Å; V377-V389 HydrophobicContact CG2-CG1 4.28Å; V377-V389 HydrophobicContact CG2-CG2 3.94Å; V377-I395 HydrophobicContact CG2-CD1 3.6Å; V377-L406 HydrophobicContact CG1-CD1 3.66Å; V377-I413 HydrophobicContact CG1-CD1 3.69Å
378L98.7Very high96.7Very high1 Ų113.4 Ų13.41%0.0058%0.079CC..Hα-helixtrans-62.2-40.5175.6-67.2-169.9000112.1T237 V240 A241 I244 L312 A374 S375 G380 C381 L406T237-L378 HydrophobicContact CG2-CD1 3.84Å; V240-L378 HydrophobicContact CG1-CD1 4.5Å; A241-L378 HydrophobicContact CB-CD1 4.05Å; A241-L378 HydrophobicContact CB-CD2 3.59Å; A241-L378 HydrophobicContact CB-CG 4.44Å; I244-L378 HydrophobicContact CD1-CB 4.01Å; L312-L378 HydrophobicContact CD2-CB 3.7Å; A374-L378 WeakPolarHBondContact O-CG 3.3Å; A374-L378 PolarHBondContact O-N 2.79Å; S375-L378 PolarHBondContact O-N 2.86Å; L378-G380 VanDerWaalsContact C-N 3.31Å; L378-G380 PolarHBondContact O-N 2.96Å; L378-C381 WeakPolarHBondContact O-CB 3.46Å; L378-C381 PolarHBondContact O-N 3.32Å; L378-C381 VanDerWaalsContact O-N 3.16Å; L378-L406 HydrophobicContact CD2-CD2 3.88Å
379A98.8Very high97.3Very high0 Ų011.9 Ų11.90%07%0.07CC..Hα-helixtrans-60-43.5174.500000110.9L312 L338 M341 L360 S375 L376 V377 C381 I382 A383L312-A379 HydrophobicContact CD1-CB 3.73Å; L312-A379 HydrophobicContact CD2-CB 4.02Å; L338-A379 HydrophobicContact CD2-CB 3.59Å; M341-A379 HydrophobicContact CE-CB 3.84Å; M341-A379 HydrophobicContact SD-CB 3.91Å; L360-A379 HydrophobicContact CD1-CB 4.01Å; S375-A379 WeakPolarHBondContact O-CB 3.42Å; S375-A379 PolarHBondContact O-N 2.8Å; L376-A379 PolarHBondContact O-N 2.96Å; V377-A379 VanDerWaalsContact C-N 3.33Å; V377-A379 PolarHBondContact O-N 3.04Å; A379-C381 PolarHBondContact O-N 3.27Å; A379-I382 WeakPolarHBondContact O-CG1 3.41Å; A379-I382 PolarHBondContact O-N 3.12Å; A379-I382 VanDerWaalsContact O-N 3.15Å; A379-A383 VanDerWaalsContact O-CB 3.3Å; A379-A383 WeakPolarHBondContact O-CB 3.24Å; A379-A383 PolarHBondContact O-N 3.19Å
380G98.7Very high97.5Very high0 Ų013.6 Ų13.60%08%0.079CC..Hα-helixtrans-61.3-30.817600000114V6 L376 V377 L378 I382 T387V6-G380 VanDerWaalsContact CG1-C 3.46Å; V6-G380 WeakPolarHBondContact CG1-O 3.4Å; L376-G380 PolarHBondContact O-N 2.92Å; V377-G380 PolarHBondContact O-N 3.22Å; L378-G380 VanDerWaalsContact C-N 3.31Å; L378-G380 PolarHBondContact O-N 2.96Å; G380-I382 VanDerWaalsContact C-N 3.29Å; G380-I382 PolarHBondContact O-N 3.41Å; G380-T387 WeakPolarHBondContact CA-OG1 3.29Å
381C98.8Very high97.5Very high0 Ų018.2 Ų18.20%010%0.096CC..Hα-helixtrans-67.5-29.3177.3-63.70000112.5V6 P9 T10 L12 V377 L378 A379V6-C381 HydrophobicContact CG1-CB 4.41Å; P9-C381 CarbonylContact C-O 3.52Å; T10-C381 PolarHBondContact N-O 3.42Å; T10-C381 PolarHBondContact OG1-O 3.49Å; L12-C381 HydrophobicContact CD1-CB 4Å; L12-C381 HydrophobicContact CD2-CB 4.39Å; V377-C381 PolarHBondContact O-N 3.44Å; V377-C381 VanDerWaalsContact O-N 3.12Å; V377-C381 PolarHBondContact O-SG 3.35Å; L378-C381 WeakPolarHBondContact O-CB 3.46Å; L378-C381 PolarHBondContact O-N 3.32Å; L378-C381 VanDerWaalsContact O-N 3.16Å; A379-C381 PolarHBondContact O-N 3.27Å
382I98.8Very high97.3Very high21 Ų2118.1 Ų18.111%0.10810%0.096CC..Hα-helixtrans-108.1-6.8-17764.8164.6000114.1I244 V316 A379 G380I244-I382 HydrophobicContact CB-CD1 4.02Å; I244-I382 HydrophobicContact CD1-CD1 3.85Å; I244-I382 HydrophobicContact CD1-CG1 4.39Å; I244-I382 HydrophobicContact CD1-CG2 4.36Å; I244-I382 HydrophobicContact CG1-CD1 3.99Å; I244-I382 HydrophobicContact CG1-CG2 4.07Å; V316-I382 HydrophobicContact CB-CD1 4.3Å; V316-I382 HydrophobicContact CG1-CD1 3.85Å; V316-I382 HydrophobicContact CG2-CD1 3.94Å; A379-I382 WeakPolarHBondContact O-CG1 3.41Å; A379-I382 PolarHBondContact O-N 3.12Å; A379-I382 VanDerWaalsContact O-N 3.15Å; G380-I382 VanDerWaalsContact C-N 3.29Å; G380-I382 PolarHBondContact O-N 3.41Å
383A98.7Very high97.1Very high0 Ų021.3 Ų21.30%011%0.108CC..SBendtrans-78.1150.5178.400000111.6G8 M341 L360 A379 G385G8-A383 CarbonylContact C-O 3.55Å; G8-A383 WeakPolarHBondContact CA-O 3.38Å; M341-A383 HydrophobicContact CE-CB 3.6Å; L360-A383 HydrophobicContact CB-CB 3.81Å; A379-A383 VanDerWaalsContact O-CB 3.3Å; A379-A383 WeakPolarHBondContact O-CB 3.24Å; A379-A383 PolarHBondContact O-N 3.19Å; A383-G385 PolarHBondContact O-N 3.2Å
384E98.8Very high96.9Very high100 Ų10022.4 Ų22.447%0.46711%0.113SC..BIsolated β-bridgetrans-72.7120.9173.8-171.770.8-123.200110.9L360 G362L360-E384 PolarHBondContact O-N 2.91Å; G362-E384 PolarHBondContact N-O 2.97Å
385G98.4Very high96.8Very high28 Ų2822.4 Ų22.429%0.28911%0.113SC..EExtended strand (participates in β ladder)trans90.7-151.6176.600000114G8 A383G8-G385 PolarHBondContact N-O 3.14Å; G8-G385 PolarHBondContact O-N 2.85Å; G8-G385 VanDerWaalsContact O-N 3.08Å; A383-G385 PolarHBondContact O-N 3.2Å
386T98.7Very high96.6Very high60 Ų6024.4 Ų24.437%0.36812%0.124SC..EExtended strand (participates in β ladder)trans-96.8123.8-171.5-48.80000111.9R5 V6 Q7 G362 A363 V388R5-T386 HydrophobicContact CG-CG2 3.8Å; V6-T386 WeakPolarHBondContact O-CA 3.45Å; Q7-T386 PolarHBondContact NE2-OG1 3.2Å; Q7-T386 VanDerWaalsContact OE1-CA 3.32Å; Q7-T386 PolarHBondContact OE1-OG1 3.25Å; G362-T386 CarbonylContact C-O 3.6Å; G362-T386 VanDerWaalsContact C-O 3.3Å; G362-T386 WeakPolarHBondContact CA-O 3.34Å; A363-T386 PolarHBondContact N-O 3.36Å; T386-V388 HydrophobicContact CG2-CG2 4.32Å
387T98.7Very high96.4Very high0 Ų025 Ų250%013%0.126CC..EExtended strand (participates in β ladder)trans-104.5135167.6-60.40000109.9R5 V6 M341 G362 A363 V365 G380 V389R5-T387 WeakPolarHBondContact CA-O 3.12Å; V6-T387 PolarHBondContact N-O 2.72Å; V6-T387 PolarHBondContact O-N 3.29Å; M341-T387 HydrophobicContact CE-CG2 4.05Å; M341-T387 WeakPolarHBondContact CE-OG1 3.49Å; M341-T387 HydrophobicContact SD-CG2 4.48Å; G362-T387 WeakPolarHBondContact CA-OG1 3.37Å; A363-T387 WeakPolarHBondContact O-CA 3.41Å; A363-T387 WeakPolarHBondContact O-CG2 3.5Å; V365-T387 HydrophobicContact CG2-CG2 4.11Å; G380-T387 WeakPolarHBondContact CA-OG1 3.29Å; T387-V389 HydrophobicContact CG2-CG2 3.97Å
388V98.2Very high96.3Very high29 Ų2925.1 Ų25.118%0.17613%0.127CC..EExtended strand (participates in β ladder)trans-118.7113.1172.1-178.10000108.3K3 F4 R5 A363 Q364 V365 T386K3-V388 HydrophobicContact CB-CG1 4.19Å; K3-V388 HydrophobicContact CD-CG1 3.88Å; F4-V388 CarbonylContact O-C 3.53Å; F4-V388 WeakPolarHBondContact O-CA 3.18Å; R5-V388 HydrophobicContact CG-CG2 4.42Å; A363-V388 PolarHBondContact O-N 3.17Å; Q364-V388 CarbonylContact C-O 3.59Å; Q364-V388 WeakPolarHBondContact CA-O 3.33Å; Q364-V388 HydrophobicContact CG-CB 4.24Å; V365-V388 PolarHBondContact N-O 3.01Å; T386-V388 HydrophobicContact CG2-CG2 4.32Å
389V97.6Very high96.2Very high0 Ų025.4 Ų25.40%013%0.128CC..EExtended strand (participates in β ladder)trans-97.6113.7177.1-1710000108.7K3 F4 V365 A367 L376 V377 T387 I392K3-V389 WeakPolarHBondContact CA-O 3.38Å; K3-V389 WeakPolarHBondContact CB-O 3.4Å; F4-V389 HydrophobicContact CB-CB 4.47Å; F4-V389 PolarHBondContact N-O 2.73Å; F4-V389 PolarHBondContact O-N 3.39Å; V365-V389 HydrophobicContact CG2-CB 4.35Å; V365-V389 HydrophobicContact CG2-CG1 4.42Å; V365-V389 HydrophobicContact CG2-CG2 3.86Å; V365-V389 WeakPolarHBondContact O-CA 3.48Å; A367-V389 HydrophobicContact CB-CG1 4.48Å; L376-V389 HydrophobicContact CB-CG1 4.17Å; L376-V389 HydrophobicContact CB-CG2 4.24Å; V377-V389 HydrophobicContact CG2-CB 4.23Å; V377-V389 HydrophobicContact CG2-CG1 4.28Å; V377-V389 HydrophobicContact CG2-CG2 3.94Å; T387-V389 HydrophobicContact CG2-CG2 3.97Å; V389-I392 HydrophobicContact CB-CG2 4.33Å; V389-I392 HydrophobicContact CG1-CG2 4.25Å; V389-I392 VanDerWaalsContact O-CG2 3.22Å; V389-I392 WeakPolarHBondContact O-CG2 3.49Å
390D95.6Very high96.1Very high39 Ų3926.4 Ų26.421%0.20913%0.133CC..EExtended strand (participates in β ladder)trans-86163.8175.5-147-21.6000111.7M1 K3 V365 M366 A367 I392M1-D390 WeakPolarHBondContact CE-OD1 3.38Å; K3-D390 HydrophobicContact CD-CB 4.4Å; K3-D390 VanDerWaalsContact CE-OD2 3.28Å; K3-D390 WeakPolarHBondContact CE-OD2 3.45Å; K3-D390 IonicContact NZ-OD1 3.99Å; K3-D390 IonicContact NZ-OD2 2.93Å; K3-D390 PolarHBondContact NZ-OD2 3.42Å; V365-D390 PolarHBondContact O-N 3.43Å; M366-D390 HydrophobicContact CG-CB 4.48Å; A367-D390 WeakPolarHBondContact CB-O 3.23Å; A367-D390 PolarHBondContact N-O 3.27Å; D390-I392 PolarHBondContact O-N 2.91Å
391R91.8Very high96Very high101 Ų10133.7 Ų33.738%0.38116%0.161SC..  trans60.436.4179.3-63.4-178.2-178.9-116.42.9114.8M1 M366 A367 Y393 H394M1-R391 HydrophobicContact CE-CB 4.02Å; M1-R391 HydrophobicContact CE-CG 3.27Å; M1-R391 HydrophobicContact SD-CG 4.12Å; M366-R391 HydrophobicContact CG-CG 4.08Å; M366-R391 VanDerWaalsContact SD-CD 3.55Å; M366-R391 PolarHBondContact SD-NE 2.86Å; M366-R391 VanDerWaalsContact SD-NE 3.39Å; A367-R391 HydrophobicContact CB-CB 4.08Å; R391-Y393 HydrophobicContact CB-CD1 4.32Å; R391-Y393 HydrophobicContact CB-CE1 3.67Å; R391-Y393 HydrophobicContact CG-CE1 3.85Å; R391-Y393 PolarHBondContact NH1-OH 2.83Å; R391-Y393 PolarHBondContact O-N 3.31Å; R391-H394 PolarHBondContact O-CD2 2.93Å; R391-H394 PolarHBondContact O-N 3.3Å; R391-H394 VanDerWaalsContact O-N 3.15Å
392I92.3Very high95.9Very high0 Ų034.1 Ų34.10%016%0.163CC..G310 helixtrans-65.2-8-17765.3164.4000114.6D2 F4 V389 D390 H394 I395 D396 R415D2-I392 HydrophobicContact CB-CD1 4.01Å; D2-I392 HydrophobicContact CB-CG1 4.03Å; F4-I392 HydrophobicContact CB-CG2 4.08Å; F4-I392 HydrophobicContact CD1-CD1 4.21Å; F4-I392 HydrophobicContact CD2-CB 4.01Å; F4-I392 HydrophobicContact CD2-CD1 3.85Å; F4-I392 HydrophobicContact CD2-CG2 3.6Å; F4-I392 HydrophobicContact CE1-CD1 4.26Å; F4-I392 HydrophobicContact CE2-CB 4.31Å; F4-I392 HydrophobicContact CE2-CD1 3.9Å; F4-I392 HydrophobicContact CE2-CG2 4.38Å; F4-I392 HydrophobicContact CG-CD1 3.98Å; F4-I392 HydrophobicContact CG-CG2 4.08Å; F4-I392 HydrophobicContact CZ-CD1 4.1Å; V389-I392 HydrophobicContact CB-CG2 4.33Å; V389-I392 HydrophobicContact CG1-CG2 4.25Å; V389-I392 VanDerWaalsContact O-CG2 3.22Å; V389-I392 WeakPolarHBondContact O-CG2 3.49Å; D390-I392 PolarHBondContact O-N 2.91Å; I392-H394 PolarHBondContact O-N 2.94Å; I392-I395 HydrophobicContact CB-CD1 4.17Å; I392-I395 HydrophobicContact CG2-CD1 4.24Å; I392-I395 WeakPolarHBondContact O-CA 3.32Å; I392-I395 VanDerWaalsContact O-CB 3.26Å; I392-I395 WeakPolarHBondContact O-CB 3.44Å; I392-I395 PolarHBondContact O-N 3.02Å; I392-D396 PolarHBondContact O-N 2.78Å; I392-R415 HydrophobicContact CD1-CG 3.77Å
393Y90.4Very high95.8Very high67 Ų6734.9 Ų34.926%0.26317%0.166SC..G310 helixtrans-58-18.7170.266.9-102.3000112.8M1 R391 I395 D396M1-Y393 HydrophobicContact CE-CE1 4.39Å; M1-Y393 HydrophobicContact CG-CD1 4.32Å; M1-Y393 HydrophobicContact SD-CD1 3.77Å; M1-Y393 HydrophobicContact SD-CE1 3.49Å; M1-Y393 WeakPolarHBondContact SD-CE1 3.44Å; R391-Y393 HydrophobicContact CB-CD1 4.32Å; R391-Y393 HydrophobicContact CB-CE1 3.67Å; R391-Y393 HydrophobicContact CG-CE1 3.85Å; R391-Y393 PolarHBondContact NH1-OH 2.83Å; R391-Y393 PolarHBondContact O-N 3.31Å; Y393-I395 VanDerWaalsContact C-N 3.33Å; Y393-D396 WeakPolarHBondContact CA-OD2 3.21Å
394H91.4Very high95.8Very high23 Ų2338.6 Ų38.611%0.10619%0.186CC..G310 helixtrans-65.5-35.8169.5-77.7-72.6000112.1L370 R391 I392 R397L370-H394 WeakPolarHBondContact CD1-O 3.47Å; R391-H394 PolarHBondContact O-CD2 2.93Å; R391-H394 PolarHBondContact O-N 3.3Å; R391-H394 VanDerWaalsContact O-N 3.15Å; I392-H394 PolarHBondContact O-N 2.94Å; H394-R397 WeakPolarHBondContact O-CB 3.43Å; H394-R397 PolarHBondContact O-N 2.86Å
395I94.5Very high95.8Very high0 Ų035 Ų350%017%0.168CC..G310 helixtrans-68.6-42.1178.1-57.2179000111.1F4 S373 V377 I392 Y393 R397 G398 Y399 I402F4-I395 HydrophobicContact CD2-CD1 3.91Å; F4-I395 HydrophobicContact CE2-CD1 3.88Å; S373-I395 VanDerWaalsContact CB-CG1 3.48Å; S373-I395 VanDerWaalsContact OG-CD1 3.22Å; S373-I395 WeakPolarHBondContact OG-CD1 3.47Å; S373-I395 WeakPolarHBondContact OG-CG1 3.46Å; V377-I395 HydrophobicContact CG2-CD1 3.6Å; I392-I395 HydrophobicContact CB-CD1 4.17Å; I392-I395 HydrophobicContact CG2-CD1 4.24Å; I392-I395 WeakPolarHBondContact O-CA 3.32Å; I392-I395 VanDerWaalsContact O-CB 3.26Å; I392-I395 WeakPolarHBondContact O-CB 3.44Å; I392-I395 PolarHBondContact O-N 3.02Å; Y393-I395 VanDerWaalsContact C-N 3.33Å; I395-R397 PolarHBondContact O-N 2.82Å; I395-G398 PolarHBondContact O-N 2.87Å; I395-Y399 HydrophobicContact CG2-CD2 3.82Å; I395-Y399 HydrophobicContact CG2-CG 4.2Å; I395-Y399 PolarHBondContact O-N 2.82Å; I395-I402 HydrophobicContact CG2-CB 4.4Å; I395-I402 HydrophobicContact CG2-CD1 4.18Å; I395-I402 HydrophobicContact CG2-CG2 3.76Å
396D93.9Very high95.8Very high43 Ų4333.6 Ų33.623%0.2316%0.155CC..G310 helixtrans-58.6-15.9-179.3-60.7-31.1000113.2K48 I392 Y393 G398 R415K48-D396 HydrophobicContact CB-CB 4.38Å; K48-D396 WeakPolarHBondContact CB-O 3.42Å; K48-D396 PolarHBondContact N-O 3.14Å; I392-D396 PolarHBondContact O-N 2.78Å; Y393-D396 WeakPolarHBondContact CA-OD2 3.21Å; D396-G398 VanDerWaalsContact C-N 3.33Å; D396-R415 IonicContact OD1-CZ 3.59Å; D396-R415 IonicContact OD1-NH1 2.82Å; D396-R415 PolarHBondContact OD1-NH1 2.88Å; D396-R415 IonicContact OD1-NH2 3.28Å; D396-R415 PolarHBondContact OD1-NH2 3.01Å; D396-R415 IonicContact OD2-CZ 2.85Å; D396-R415 IonicContact OD2-NH1 2.88Å; D396-R415 IonicContact OD2-NH2 3.97Å; D396-R415 PolarHBondContact OD2-NH2 2.95Å
397R93.9Very high95.8Very high14 Ų1435.7 Ų35.75%0.05316%0.155CC..G310 helixtrans-76.1-18.2175.9-62178.460.2-142.3-17113.5K22 K48 D49 C115 H394 I395K22-R397 WeakPolarHBondContact CD-O 3.45Å; K22-R397 WeakPolarHBondContact CE-O 3.48Å; K48-R397 HydrophobicContact CB-CG 4.3Å; K48-R397 HydrophobicContact CD-CG 4.3Å; D49-R397 WeakPolarHBondContact OD1-CB 3.42Å; D49-R397 WeakPolarHBondContact OD1-CG 3.41Å; D49-R397 IonicContact OD1-CZ 2.99Å; D49-R397 IonicContact OD1-NE 3.52Å; D49-R397 PolarHBondContact OD1-NE 3.29Å; D49-R397 IonicContact OD1-NH2 3.55Å; D49-R397 IonicContact OD2-CZ 3.97Å; D49-R397 IonicContact OD2-NE 2.71Å; D49-R397 IonicContact OD2-NH2 2.86Å; D49-R397 PolarHBondContact OD2-NH2 3.24Å; C115-R397 PolarHBondContact SG-NH1 3.2Å; H394-R397 WeakPolarHBondContact O-CB 3.43Å; H394-R397 PolarHBondContact O-N 2.86Å; I395-R397 PolarHBondContact O-N 2.82Å
398G94.9Very high95.8Very high2 Ų239.3 Ų39.32%0.02119%0.185CC..THydrogen-bonded Turntrans-148.5-2.5-169.300000117.3I395 D396I395-G398 PolarHBondContact O-N 2.87Å; D396-G398 VanDerWaalsContact C-N 3.33Å
399Y97.1Very high95.8Very high6 Ų638 Ų382%0.02418%0.178CC..  trans-130.2121.5173.6-62.2-94000110.5L47 E234 T237 L370 R371 A374 I395 I402L47-Y399 VanDerWaalsContact CD2-C 3.41Å; E234-Y399 HydrophobicContact CG-CD1 4.21Å; E234-Y399 HydrophobicContact CG-CE1 4.48Å; T237-Y399 HydrophobicContact CG2-CE1 3.81Å; T237-Y399 PolarHBondContact OG1-OH 2.92Å; L370-Y399 HydrophobicContact CD1-CD2 3.67Å; L370-Y399 HydrophobicContact CD1-CE2 3.67Å; L370-Y399 HydrophobicContact CG-CE2 4.3Å; R371-Y399 PolarHBondContact NH1-OH 2.92Å; A374-Y399 HydrophobicContact CB-CD2 4.35Å; A374-Y399 HydrophobicContact CB-CE1 4.47Å; A374-Y399 HydrophobicContact CB-CE2 3.55Å; I395-Y399 HydrophobicContact CG2-CD2 3.82Å; I395-Y399 HydrophobicContact CG2-CG 4.2Å; I395-Y399 PolarHBondContact O-N 2.82Å; Y399-I402 HydrophobicContact CD1-CD1 3.84Å; Y399-I402 HydrophobicContact CD1-CG1 4.4Å; Y399-I402 HydrophobicContact CD2-CD1 4.35Å; Y399-I402 HydrophobicContact CE1-CD1 4.38Å; Y399-I402 HydrophobicContact CG-CD1 3.82Å; Y399-I402 HydrophobicContact CG-CG1 4.46Å
400E96.8Very high95.9Very high21 Ų2140.1 Ų40.110%0.09820%0.199CC..THydrogen-bonded Turntrans-81.4120.2175.2-178.8-173.9119.700109P45 K46 L47 I402 K405P45-E400 WeakPolarHBondContact CA-OE2 3.41Å; K46-E400 HydrophobicContact CB-CG 4.21Å; K46-E400 PolarHBondContact N-OE2 3.35Å; L47-E400 HydrophobicContact CD2-CB 4.1Å; E400-I402 PolarHBondContact O-N 3.32Å; E400-K405 VanDerWaalsContact O-CE 3.29Å; E400-K405 WeakPolarHBondContact O-CE 3.24Å
401R96.5Very high96Very high154 Ų15438.5 Ų38.558%0.58119%0.191SC*.THydrogen-bonded Turntrans49.743.4174.6-64.3-179.8-69.9-175.8-0.5113.2E403 D404 K405R401-E403 PolarHBondContact O-N 2.96Å; R401-E403 VanDerWaalsContact O-N 3.11Å; R401-D404 HydrophobicContact CB-CB 4.21Å; R401-D404 PolarHBondContact O-N 3.32Å; R401-D404 VanDerWaalsContact O-N 3.09Å; R401-K405 WeakPolarHBondContact O-CG 3.42Å; R401-K405 PolarHBondContact O-N 3.45Å
402I97.6Very high96.4Very high8 Ų838.4 Ų38.44%0.04120%0.198CC..Hα-helixtrans-54.9-33.9179.3-159174000112F4 F238 I395 Y399 E400 K405 L406F4-I402 HydrophobicContact CE2-CG2 3.91Å; F4-I402 HydrophobicContact CZ-CG2 4.01Å; F238-I402 HydrophobicContact CZ-CG1 4.31Å; I395-I402 HydrophobicContact CG2-CB 4.4Å; I395-I402 HydrophobicContact CG2-CD1 4.18Å; I395-I402 HydrophobicContact CG2-CG2 3.76Å; Y399-I402 HydrophobicContact CD1-CD1 3.84Å; Y399-I402 HydrophobicContact CD1-CG1 4.4Å; Y399-I402 HydrophobicContact CD2-CD1 4.35Å; Y399-I402 HydrophobicContact CE1-CD1 4.38Å; Y399-I402 HydrophobicContact CG-CD1 3.82Å; Y399-I402 HydrophobicContact CG-CG1 4.46Å; E400-I402 PolarHBondContact O-N 3.32Å; I402-K405 PolarHBondContact O-N 2.7Å; I402-L406 HydrophobicContact CD1-CD1 4.43Å; I402-L406 HydrophobicContact CG1-CD1 3.99Å; I402-L406 HydrophobicContact CG1-CG 4.27Å; I402-L406 VanDerWaalsContact O-CB 3.31Å; I402-L406 WeakPolarHBondContact O-CB 3.24Å; I402-L406 VanDerWaalsContact O-CG 3.31Å; I402-L406 WeakPolarHBondContact O-CG 3.36Å; I402-L406 PolarHBondContact O-N 3.03Å
403E97.2Very high96.6Very high38 Ų3838.6 Ų38.618%0.17820%0.199CC..Hα-helixtrans-60.4-51177.9-177.3-178.4174.600111.3F4 R401 L406 R407 I413 R415F4-E403 HydrophobicContact CE1-CB 3.76Å; F4-E403 HydrophobicContact CE1-CG 3.84Å; F4-E403 HydrophobicContact CZ-CB 3.84Å; F4-E403 HydrophobicContact CZ-CG 4.43Å; R401-E403 PolarHBondContact O-N 2.96Å; R401-E403 VanDerWaalsContact O-N 3.11Å; E403-L406 PolarHBondContact O-N 3.39Å; E403-R407 VanDerWaalsContact CG-NH2 3.29Å; E403-R407 VanDerWaalsContact O-CB 3.28Å; E403-R407 WeakPolarHBondContact O-CB 3.47Å; E403-R407 PolarHBondContact O-N 3.07Å; E403-R407 IonicContact OE1-CZ 2.87Å; E403-R407 IonicContact OE1-NH1 3.61Å; E403-R407 IonicContact OE1-NH2 2.78Å; E403-R407 PolarHBondContact OE1-NH2 2.91Å; E403-I413 HydrophobicContact CG-CG1 4.47Å; E403-I413 HydrophobicContact CG-CG2 4.24Å; E403-R415 PolarHBondContact OE1-N 2.89Å; E403-R415 VanDerWaalsContact OE2-CB 3.25Å; E403-R415 WeakPolarHBondContact OE2-CB 2.99Å
404D98.3Very high97Very high78 Ų7840.2 Ų40.242%0.41721%0.209SC..Hα-helixtrans-66.8-41.8-179.6-58.9-29.5000110.7R401 R407 A408R401-D404 HydrophobicContact CB-CB 4.21Å; R401-D404 PolarHBondContact O-N 3.32Å; R401-D404 VanDerWaalsContact O-N 3.09Å; D404-R407 PolarHBondContact O-N 3.11Å; D404-R407 IonicContact OD1-NH1 3.61Å; D404-R407 PolarHBondContact OD1-NH1 2.81Å; D404-A408 WeakPolarHBondContact O-CB 3.13Å; D404-A408 PolarHBondContact O-N 2.75Å
405K98.7Very high97.2Very high23 Ų2342 Ų4210%0.122%0.215CC..Hα-helixtrans-62.3-45.9177.6-67.4-175.8-176.7-166.90111.4V16 T17 S19 E234 F238 E400 R401 I402 A408 L409V16-K405 HydrophobicContact CG2-CB 4.01Å; V16-K405 HydrophobicContact CG2-CD 3.73Å; V16-K405 HydrophobicContact CG2-CG 3.97Å; T17-K405 WeakPolarHBondContact O-CE 3.39Å; T17-K405 PolarHBondContact O-NZ 3.22Å; S19-K405 PolarHBondContact OG-NZ 2.78Å; E234-K405 IonicContact OE1-NZ 3.38Å; E234-K405 PolarHBondContact OE1-NZ 2.89Å; E234-K405 IonicContact OE2-NZ 3.42Å; E234-K405 PolarHBondContact OE2-NZ 3.43Å; F238-K405 HydrophobicContact CE1-CB 3.88Å; F238-K405 HydrophobicContact CE2-CB 4.35Å; F238-K405 HydrophobicContact CE2-CD 3.78Å; F238-K405 HydrophobicContact CZ-CB 3.44Å; F238-K405 VanDerWaalsContact CZ-CB 3.44Å; F238-K405 HydrophobicContact CZ-CD 3.71Å; F238-K405 HydrophobicContact CZ-CG 4.2Å; E400-K405 VanDerWaalsContact O-CE 3.29Å; E400-K405 WeakPolarHBondContact O-CE 3.24Å; R401-K405 WeakPolarHBondContact O-CG 3.42Å; R401-K405 PolarHBondContact O-N 3.45Å; I402-K405 PolarHBondContact O-N 2.7Å; K405-A408 PolarHBondContact O-N 3.22Å; K405-L409 WeakPolarHBondContact O-CG 3.38Å; K405-L409 PolarHBondContact O-N 3.09Å
406L98.7Very high97.3Very high0 Ų043.4 Ų43.40%022%0.224CC..Hα-helixtrans-66.4-40.3176.5-75.8172.3000112.2L12 F238 V377 L378 I402 E403 A408 L409 G410 A411 I413L12-L406 HydrophobicContact CD1-CD2 4.16Å; F238-L406 HydrophobicContact CE1-CD2 4.03Å; F238-L406 HydrophobicContact CE1-CG 4.23Å; V377-L406 HydrophobicContact CG1-CD1 3.66Å; L378-L406 HydrophobicContact CD2-CD2 3.88Å; I402-L406 HydrophobicContact CD1-CD1 4.43Å; I402-L406 HydrophobicContact CG1-CD1 3.99Å; I402-L406 HydrophobicContact CG1-CG 4.27Å; I402-L406 VanDerWaalsContact O-CB 3.31Å; I402-L406 WeakPolarHBondContact O-CB 3.24Å; I402-L406 VanDerWaalsContact O-CG 3.31Å; I402-L406 WeakPolarHBondContact O-CG 3.36Å; I402-L406 PolarHBondContact O-N 3.03Å; E403-L406 PolarHBondContact O-N 3.39Å; L406-A408 VanDerWaalsContact C-N 3.32Å; L406-A408 PolarHBondContact O-N 2.77Å; L406-L409 CarbonylContact O-C 3.55Å; L406-L409 WeakPolarHBondContact O-CA 3.12Å; L406-L409 WeakPolarHBondContact O-CB 3.44Å; L406-L409 PolarHBondContact O-N 2.89Å; L406-L409 VanDerWaalsContact O-N 3.07Å; L406-G410 PolarHBondContact O-N 2.85Å; L406-A411 HydrophobicContact CB-CB 3.89Å; L406-A411 VanDerWaalsContact O-CB 3.23Å; L406-A411 WeakPolarHBondContact O-CB 3.38Å; L406-A411 PolarHBondContact O-N 3.49Å; L406-I413 HydrophobicContact CB-CG2 4.29Å; L406-I413 HydrophobicContact CD1-CD1 4.08Å
407R98.6Very high97.2Very high103 Ų10348.7 Ų48.739%0.38924%0.244SC..Hα-helixtrans-61.8-39.9175.8-171.8-178.9-62.7114.7-0.4111.8E403 D404 L409 G410 I413E403-R407 VanDerWaalsContact CG-NH2 3.29Å; E403-R407 VanDerWaalsContact O-CB 3.28Å; E403-R407 WeakPolarHBondContact O-CB 3.47Å; E403-R407 PolarHBondContact O-N 3.07Å; E403-R407 IonicContact OE1-CZ 2.87Å; E403-R407 IonicContact OE1-NH1 3.61Å; E403-R407 IonicContact OE1-NH2 2.78Å; E403-R407 PolarHBondContact OE1-NH2 2.91Å; D404-R407 PolarHBondContact O-N 3.11Å; D404-R407 IonicContact OD1-NH1 3.61Å; D404-R407 PolarHBondContact OD1-NH1 2.81Å; R407-L409 PolarHBondContact O-N 2.81Å; R407-G410 WeakPolarHBondContact O-CA 3.31Å; R407-G410 PolarHBondContact O-N 2.92Å; R407-I413 HydrophobicContact CB-CG2 4.37Å; R407-I413 PolarHBondContact NH2-O 3.08Å
408A98.6Very high96.1Very high76 Ų7651 Ų5163%0.62827%0.273SS*.Hα-helixtrans-62.4-27.5174.200000113D404 K405 L406 G410D404-A408 WeakPolarHBondContact O-CB 3.13Å; D404-A408 PolarHBondContact O-N 2.75Å; K405-A408 PolarHBondContact O-N 3.22Å; L406-A408 VanDerWaalsContact C-N 3.32Å; L406-A408 PolarHBondContact O-N 2.77Å; A408-G410 VanDerWaalsContact C-N 3.27Å
409L98.7Very high94.2Very high3 Ų361.1 Ų61.12%0.01632%0.32CS..THydrogen-bonded Turntrans-85.21.9173.5-61.6171.6000113.3L12 Q13 F238 I249 K405 L406 R407L12-L409 WeakPolarHBondContact CA-O 3.3Å; L12-L409 HydrophobicContact CB-CB 4.35Å; Q13-L409 PolarHBondContact N-O 2.67Å; Q13-L409 WeakPolarHBondContact O-CA 3.19Å; F238-L409 HydrophobicContact CD1-CD1 3.63Å; F238-L409 HydrophobicContact CE1-CD1 3.94Å; I249-L409 HydrophobicContact CD1-CD1 3.59Å; I249-L409 HydrophobicContact CD1-CD2 3.72Å; I249-L409 HydrophobicContact CD1-CG 4.32Å; I249-L409 HydrophobicContact CG1-CD2 3.99Å; K405-L409 WeakPolarHBondContact O-CG 3.38Å; K405-L409 PolarHBondContact O-N 3.09Å; L406-L409 CarbonylContact O-C 3.55Å; L406-L409 WeakPolarHBondContact O-CA 3.12Å; L406-L409 WeakPolarHBondContact O-CB 3.44Å; L406-L409 PolarHBondContact O-N 2.89Å; L406-L409 VanDerWaalsContact O-N 3.07Å; R407-L409 PolarHBondContact O-N 2.81Å
410G98.4Very high94.1Very high44 Ų4463.9 Ų63.945%0.45434%0.335SS..THydrogen-bonded Turntrans102.5-1.7176.800000115.4T10 L406 R407 A408T10-G410 WeakPolarHBondContact CG2-O 3.37Å; L406-G410 PolarHBondContact O-N 2.85Å; R407-G410 WeakPolarHBondContact O-CA 3.31Å; R407-G410 PolarHBondContact O-N 2.92Å; A408-G410 VanDerWaalsContact C-N 3.27Å
411A98.6Very high94Very high5 Ų566.1 Ų66.14%0.04135%0.347CS..  trans-64137.4-178.400000112.4L12 L406 I413L12-A411 HydrophobicContact CD2-CB 3.71Å; L406-A411 HydrophobicContact CB-CB 3.89Å; L406-A411 VanDerWaalsContact O-CB 3.23Å; L406-A411 WeakPolarHBondContact O-CB 3.38Å; L406-A411 PolarHBondContact O-N 3.49Å; A411-I413 HydrophobicContact CB-CG2 4.14Å; A411-I413 PolarHBondContact O-N 2.84Å
412N98.6Very high93.8Very high98 Ų9861.2 Ų61.252%0.52433%0.334SS..EExtended strand (participates in β ladder)trans-87.987.7167.6-171.8-13000109.6V6 Q7V6-N412 CarbonylContact C-O 3.56Å; V6-N412 WeakPolarHBondContact CA-O 3.44Å; Q7-N412 HydrophobicContact CB-CB 4Å; Q7-N412 PolarHBondContact N-O 3.19Å
413I98.4Very high93.6Very high5 Ų564.4 Ų64.43%0.02635%0.351CS..EExtended strand (participates in β ladder)trans-128.3137.5-176-176.7166.6000111.2F4 R5 V6 V377 E403 L406 R407 A411F4-I413 HydrophobicContact CB-CD1 4.44Å; F4-I413 HydrophobicContact CD1-CD1 3.75Å; F4-I413 HydrophobicContact CD1-CG1 3.7Å; F4-I413 HydrophobicContact CD2-CD1 4.27Å; F4-I413 HydrophobicContact CE1-CD1 3.99Å; F4-I413 HydrophobicContact CE1-CG1 4.12Å; F4-I413 HydrophobicContact CE2-CD1 4.48Å; F4-I413 HydrophobicContact CG-CD1 3.93Å; F4-I413 HydrophobicContact CG-CG1 4.22Å; F4-I413 HydrophobicContact CZ-CD1 4.37Å; R5-I413 WeakPolarHBondContact O-CA 3.31Å; V6-I413 HydrophobicContact CG2-CB 4.44Å; V6-I413 HydrophobicContact CG2-CD1 4.08Å; V6-I413 HydrophobicContact CG2-CG1 4.02Å; V377-I413 HydrophobicContact CG1-CD1 3.69Å; E403-I413 HydrophobicContact CG-CG1 4.47Å; E403-I413 HydrophobicContact CG-CG2 4.24Å; L406-I413 HydrophobicContact CB-CG2 4.29Å; L406-I413 HydrophobicContact CD1-CD1 4.08Å; R407-I413 HydrophobicContact CB-CG2 4.37Å; R407-I413 PolarHBondContact NH2-O 3.08Å; A411-I413 HydrophobicContact CB-CG2 4.14Å; A411-I413 PolarHBondContact O-N 2.84Å
414E97.4Very high93.4Very high100 Ų10066 Ų6647%0.46736%0.362SS..EExtended strand (participates in β ladder)trans-136.9132.9177.8-179.3-175.6-153.600110.7F4 R5 V416F4-E414 WeakPolarHBondContact CA-O 3.48Å; R5-E414 PolarHBondContact N-O 3.05Å; R5-E414 IonicContact NH1-OE2 3.04Å; R5-E414 PolarHBondContact O-N 3.39Å; E414-V416 HydrophobicContact CG-CG2 4.35Å; E414-V416 PolarHBondContact O-N 3.06Å
415R97Very high93Very high61 Ų6165.2 Ų65.223%0.2336%0.358CS..EExtended strand (participates in β ladder)trans-83.8107.1168.1-171165.2-172.414310.1111.5D2 K3 F4 I392 D396 E403D2-R415 HydrophobicContact CB-CG 4.49Å; D2-R415 IonicContact OD2-CZ 3.67Å; D2-R415 IonicContact OD2-NE 3.54Å; D2-R415 PolarHBondContact OD2-NE 2.89Å; D2-R415 IonicContact OD2-NH2 3.44Å; D2-R415 PolarHBondContact OD2-NH2 3.03Å; K3-R415 CarbonylContact O-C 3.53Å; K3-R415 WeakPolarHBondContact O-CA 3.27Å; F4-R415 HydrophobicContact CD1-CB 4.03Å; F4-R415 HydrophobicContact CE1-CB 3.7Å; F4-R415 HydrophobicContact CE1-CG 4.22Å; I392-R415 HydrophobicContact CD1-CG 3.77Å; D396-R415 IonicContact OD1-CZ 3.59Å; D396-R415 IonicContact OD1-NH1 2.82Å; D396-R415 PolarHBondContact OD1-NH1 2.88Å; D396-R415 IonicContact OD1-NH2 3.28Å; D396-R415 PolarHBondContact OD1-NH2 3.01Å; D396-R415 IonicContact OD2-CZ 2.85Å; D396-R415 IonicContact OD2-NH1 2.88Å; D396-R415 IonicContact OD2-NH2 3.97Å; D396-R415 PolarHBondContact OD2-NH2 2.95Å; E403-R415 PolarHBondContact OE1-N 2.89Å; E403-R415 VanDerWaalsContact OE2-CB 3.25Å; E403-R415 WeakPolarHBondContact OE2-CB 2.99Å
416V95.4Very high92.6Very high30 Ų3068.2 Ų68.218%0.18238%0.377CS..EExtended strand (participates in β ladder)trans-89.6126.7178.6-171.80000109.6D2 K3 R5 E414D2-V416 WeakPolarHBondContact CA-O 3.05Å; K3-V416 PolarHBondContact N-O 3.2Å; K3-V416 PolarHBondContact O-N 3.1Å; R5-V416 HydrophobicContact CB-CG2 3.92Å; E414-V416 HydrophobicContact CG-CG2 4.35Å; E414-V416 PolarHBondContact O-N 3.06Å
417K92.3Very high92.2Very high153 Ų15373.5 Ų73.567%0.66541%0.406SS*.  trans-109.8133.1-178.4-60.9-175.4177.9175.30111
418G70.2Confident91.6Very high64 Ų6471 Ų7166%0.6641%0.407SS*.  trans7250.3158.700000117.5
419E56.2Low91Very high213 Ų21370.5 Ų70.5100%0.99539%0.387SS*.  trans-96.80155.1-73.2-162.3170.700111.9

Retrieved 419 of 419 residues in 263.2 ms (Link to these results)

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